| 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 | Very low | 32.8 | Very low | 246 Ų | 246 | 145.3 Ų | 145.3 | 100% | 1.212 | 81% | 0.809 | S | S | * | * | 0 | 130.6 | 0 | -74 | -162.7 | 146 | 0 | 0 | 107 | |||||
| 2 | A | 34.4 | Very low | 32.4 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -3.7 | 143.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | S | 36.5 | Very low | 32.5 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | cis | -171.7 | 156.1 | 22.4 | -30.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | D | 35.8 | Very low | 32.1 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | 65.1 | 145.3 | 145.3 | -51.7 | -23.1 | 0 | 0 | 0 | 120.2 | ||||
| 5 | A | 39 | Very low | 31.9 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 65% | 0.653 | 82% | 0.818 | S | S | * | * | cis | -174.8 | 133.3 | -30.6 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 6 | T | 34.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 151.2 Ų | 151.2 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | 54.1 | 101.2 | 157 | 57.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 7 | C | 27.2 | Very low | 31.4 | Very low | 92 Ų | 92 | 151.1 Ų | 151.1 | 62% | 0.622 | 82% | 0.824 | S | S | * | * | 58.5 | 100.5 | 59.6 | -132.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 8 | Y | 31.8 | Very low | 31.3 | Very low | 221 Ų | 221 | 149.1 Ų | 149.1 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | 171.3 | 121 | 93.9 | -85.9 | -74.5 | 0 | 0 | 0 | 109.9 | |||||
| 9 | E | 28.4 | Very low | 30.9 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -90.8 | 151.1 | 167.5 | -82.2 | -177.1 | 152.9 | 0 | 0 | 110.8 | ||||
| 10 | E | 28.1 | Very low | 30.6 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 61.5 | 123.6 | 147.8 | -69.3 | 176.9 | 169 | 0 | 0 | 120.5 | ||||
| 11 | T | 31.7 | Very low | 30.3 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | -166.6 | 138.2 | 100.4 | 38.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 12 | D | 27.5 | Very low | 30 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 138.7 | 177.8 | -179.1 | 19.8 | 0 | 0 | 0 | 112.8 | ||||
| 13 | S | 33.2 | Very low | 29.6 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -159.8 | 115.1 | 156.1 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | Q | 27.9 | Very low | 29.1 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -44.2 | 136 | 173.1 | -63.2 | 168.1 | -68.5 | 0 | 0 | 114.3 | ||||
| 15 | E | 29.3 | Very low | 28.6 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | trans | -157.5 | 137.7 | 143.2 | -121.6 | 175.7 | -173.9 | 0 | 0 | 111.9 | ||||
| 16 | E | 26.4 | Very low | 28 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | -65.2 | 129.9 | -167.6 | -64.7 | 170.2 | 126.9 | 0 | 0 | 114 | ||||
| 17 | V | 29 | Very low | 27.6 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 90% | 0.903 | 70% | 0.703 | S | S | * | * | trans | -104.8 | 102.7 | 167.3 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | V | 28.1 | Very low | 27.5 | Very low | 116 Ų | 116 | 137 Ų | 137 | 70% | 0.703 | 71% | 0.711 | S | S | * | * | trans | -68.8 | 134.9 | -176.9 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 19 | N | 24.3 | Very low | 27.4 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -49.6 | 125.6 | 169.8 | -79.5 | -67.3 | 0 | 0 | 0 | 113.7 | ||||
| 20 | L | 25.5 | Very low | 27.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -132.3 | 107.5 | 158.7 | -89 | 150.6 | 0 | 0 | 0 | 110.2 | F22 | L20-F22 HydrophobicContact CB-CE2 4.18Å; L20-F22 HydrophobicContact CB-CZ 4.12Å | ||
| 21 | K | 24.5 | Very low | 27.2 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -83.5 | 121.5 | 172 | -67.8 | 175.6 | 178.7 | 175.2 | 0 | 108.3 | ||||
| 22 | F | 27.7 | Very low | 27 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | -97.3 | 149.5 | 177.7 | -62.8 | -82.6 | 0 | 0 | 0 | 112.1 | L20 | L20-F22 HydrophobicContact CB-CE2 4.18Å; L20-F22 HydrophobicContact CB-CZ 4.12Å | ||
| 23 | L | 24.4 | Very low | 26.9 | Very low | 54 Ų | 54 | 141.1 Ų | 141.1 | 28% | 0.283 | 72% | 0.723 | S | S | . | * | trans | -129 | 109.7 | -172.6 | 179.8 | 123.5 | 0 | 0 | 0 | 108.2 | F51 F53 V80 L82 | L23-F51 HydrophobicContact CD2-CB 4.45Å; L23-F51 HydrophobicContact CD2-CD2 4.46Å; L23-F53 HydrophobicContact CD1-CD2 4.37Å; L23-F53 HydrophobicContact CD1-CE2 3.99Å; L23-F53 HydrophobicContact CD1-CZ 4.44Å; L23-F53 HydrophobicContact CD2-CD2 4.15Å; L23-F53 HydrophobicContact CD2-CE2 3.19Å; L23-F53 HydrophobicContact CD2-CZ 3.71Å; L23-F53 HydrophobicContact CG-CE2 4.28Å; L23-V80 HydrophobicContact CD2-CG1 3.17Å; L23-V80 HydrophobicContact CG-CG1 3.93Å; L23-L82 HydrophobicContact CB-CD2 4.37Å; L23-L82 HydrophobicContact CB-CG 4.48Å; L23-L82 HydrophobicContact CD1-CD1 3.87Å; L23-L82 HydrophobicContact CD1-CD2 3.79Å; L23-L82 HydrophobicContact CD1-CG 3.71Å; L23-L82 HydrophobicContact CG-CD2 4.28Å; L23-L82 HydrophobicContact CG-CG 4Å | ||
| 24 | T | 26.7 | Very low | 26.4 | Very low | 59 Ų | 59 | 144.6 Ų | 144.6 | 36% | 0.362 | 72% | 0.723 | S | S | . | * | trans | -77.6 | 173.3 | -179.7 | 14.6 | 0 | 0 | 0 | 0 | 112.2 | V80 A81 L82 L83 | T24-V80 CarbonylContact O-C 2.67Å; T24-V80 WeakPolarHBondContact O-CG1 3.48Å; T24-A81 CarbonylContact C-O 3.26Å; T24-A81 VanDerWaalsContact CA-O 3.25Å; T24-A81 WeakPolarHBondContact CA-O 3.42Å; T24-A81 WeakPolarHBondContact CB-O 3.18Å; T24-A81 CarbonylContact O-C 3.36Å; T24-A81 VanDerWaalsContact O-CA 3.23Å; T24-A81 WeakPolarHBondContact O-CA 3.31Å; T24-A81 PolarHBondContact O-N 2.86Å; T24-A81 VanDerWaalsContact O-O 3.08Å; T24-A81 PolarHBondContact OG1-O 3.42Å; T24-L82 WeakPolarHBondContact OG1-CA 3.28Å; T24-L83 HydrophobicContact CG2-CD1 3.81Å; T24-L83 PolarHBondContact OG1-N 3.42Å | ||
| 25 | V | 26 | Very low | 26.3 | Very low | 56 Ų | 56 | 144.7 Ų | 144.7 | 34% | 0.339 | 72% | 0.724 | S | S | . | * | trans | -151.1 | 108.8 | -164.3 | 178.2 | 0 | 0 | 0 | 0 | 114 | F51 V78 S79 V80 A81 | V25-F51 HydrophobicContact CB-CZ 4.5Å; V25-F51 HydrophobicContact CG1-CE1 4.43Å; V25-F51 HydrophobicContact CG1-CZ 4.22Å; V25-F51 HydrophobicContact CG2-CD2 4.39Å; V25-F51 HydrophobicContact CG2-CE1 4.15Å; V25-F51 HydrophobicContact CG2-CE2 3.7Å; V25-F51 HydrophobicContact CG2-CZ 3.58Å; V25-V78 HydrophobicContact CG1-CG1 4.04Å; V25-S79 CarbonylContact C-O 3.04Å; V25-S79 WeakPolarHBondContact CA-O 3.46Å; V25-S79 WeakPolarHBondContact CB-O 3.41Å; V25-S79 WeakPolarHBondContact CG1-O 3.3Å; V25-V80 VanDerWaalsContact CB-CA 3.48Å; V25-V80 HydrophobicContact CB-CB 4.2Å; V25-V80 HydrophobicContact CB-CG2 4.07Å; V25-V80 HydrophobicContact CG1-CB 4.17Å; V25-V80 HydrophobicContact CG1-CG2 3.6Å; V25-V80 HydrophobicContact CG2-CB 3.76Å; V25-V80 HydrophobicContact CG2-CG1 3.72Å; V25-V80 HydrophobicContact CG2-CG2 3.54Å; V25-A81 VanDerWaalsContact CA-N 3.26Å; V25-A81 PolarHBondContact N-O 3.29Å | ||
| 26 | S | 26.1 | Very low | 26.1 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 52% | 0.524 | 72% | 0.724 | S | S | . | * | trans | -125.9 | 134.7 | 167.7 | 56.9 | 0 | 0 | 0 | 0 | 118.9 | S79 | S26-S79 CarbonylContact C-O 2.96Å; S26-S79 VanDerWaalsContact C-O 3.26Å; S26-S79 WeakPolarHBondContact CA-O 3.24Å; S26-S79 PolarHBondContact N-O 3.22Å; S26-S79 WeakPolarHBondContact O-CB 3.48Å; S26-S79 PolarHBondContact O-OG 3.03Å | ||
| 27 | V | 25 | Very low | 26 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 40% | 0.4 | 72% | 0.722 | S | S | . | * | trans | -109.1 | 133.4 | 170.6 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | F77 S79 | V27-F77 HydrophobicContact CB-CB 4.43Å; V27-F77 HydrophobicContact CB-CD2 4.02Å; V27-F77 HydrophobicContact CB-CG 4.46Å; V27-F77 HydrophobicContact CG1-CB 4.04Å; V27-F77 HydrophobicContact CG1-CD2 4.26Å; V27-F77 HydrophobicContact CG1-CG 4.24Å; V27-F77 HydrophobicContact CG2-CB 3.9Å; V27-F77 HydrophobicContact CG2-CD2 3.87Å; V27-F77 HydrophobicContact CG2-CG 4.28Å; V27-S79 VanDerWaalsContact CA-CB 3.48Å | ||
| 28 | V | 26.3 | Very low | 25.8 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | trans | -139.1 | 137.6 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 29 | R | 28.3 | Very low | 25.7 | Very low | 232 Ų | 232 | 137.9 Ų | 137.9 | 88% | 0.875 | 73% | 0.725 | S | S | * | * | trans | -84.5 | 137.9 | 166.2 | -82.2 | -176.1 | 178.2 | 171.9 | 1.5 | 110.8 | C31 | R29-C31 PolarHBondContact O-N 3.44Š| ||
| 30 | K | 26.1 | Very low | 25.6 | Very low | 213 Ų | 213 | 141.1 Ų | 141.1 | 93% | 0.926 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -17 | 108.9 | 176.3 | -74 | 179.3 | 175.1 | 176.2 | 0 | 116.3 | ||
| 31 | C | 26.9 | Very low | 25.9 | Very low | 119 Ų | 119 | 143 Ų | 143 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -150.9 | 138.6 | 150.3 | -92.5 | 0 | 0 | 0 | 0 | 109.5 | R29 L33 | R29-C31 PolarHBondContact O-N 3.44Å; C31-L33 PolarHBondContact O-N 3.34Å | ||
| 32 | K | 27 | Very low | 25.8 | Very low | 213 Ų | 213 | 144.6 Ų | 144.6 | 93% | 0.926 | 74% | 0.739 | S | S | * | * | trans | -64.1 | 124.9 | 176.4 | -72.3 | 177.1 | 175.4 | 177 | 0 | 109.6 | K34 | K32-K34 PolarHBondContact O-N 3.34Š| ||
| 33 | L | 25.3 | Very low | 25.7 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -57.4 | 125.7 | 178.5 | -97.3 | 85.7 | 0 | 0 | 0 | 112.2 | C31 | C31-L33 PolarHBondContact O-N 3.34Š| ||
| 34 | K | 23.1 | Very low | 26 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | trans | -147.5 | 107.9 | 136.5 | -73.2 | -164.3 | 178.8 | 179.7 | 0 | 108.5 | K32 | K32-K34 PolarHBondContact O-N 3.34Š| ||
| 35 | H | 25.9 | Very low | 26.1 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 95.6 | 127.7 | 164.1 | -52.3 | -11.8 | 0 | 0 | 0 | 117.8 | ||||
| 36 | A | 24.6 | Very low | 26.2 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -94.9 | 149.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 37 | G | 25.6 | Very low | 26.4 | Very low | 78 Ų | 78 | 156.7 Ų | 156.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -159.3 | 145.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 38 | M | 24.6 | Very low | 26.6 | Very low | 169 Ų | 169 | 159 Ų | 159 | 83% | 0.833 | 83% | 0.83 | S | S | * | * | trans | -92.8 | 146.9 | -178.4 | -64.4 | -81.3 | -103.5 | 0 | 0 | 110.9 | ||||
| 39 | V | 24.8 | Very low | 26.8 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -140.7 | 128.3 | 161.3 | -177 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 40 | Y | 24.2 | Very low | 26.7 | Very low | 210 Ų | 210 | 151.2 Ų | 151.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -78.4 | 140.7 | 174.9 | -76.6 | -101.9 | 0 | 0 | 0 | 111.3 | ||||
| 41 | L | 29.7 | Very low | 26.8 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -120.9 | 125.8 | 160.6 | -72.1 | 175.6 | 0 | 0 | 0 | 110.9 | ||||
| 42 | R | 23.7 | Very low | 26.8 | Very low | 227 Ų | 227 | 145.1 Ų | 145.1 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -90.8 | 138.1 | -173 | -157.8 | 178.9 | -177.7 | 172.2 | 0.9 | 108.3 | ||||
| 43 | N | 26.2 | Very low | 26.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 83.5 | 30.9 | 159.5 | -61.2 | -14.4 | 0 | 0 | 0 | 121.7 | ||
| 44 | L | 29.5 | Very low | 26.9 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | trans | -141.6 | 139.7 | 162.5 | -73.4 | 174.5 | 0 | 0 | 0 | 113.4 | ||||
| 45 | T | 29.5 | Very low | 27 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -49.4 | 131.8 | -175.3 | 27.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 46 | T | 28.4 | Very low | 27.5 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -65.3 | 129.7 | 170.4 | 35.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 47 | V | 30.5 | Very low | 27.9 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 61% | 0.606 | 76% | 0.758 | S | S | * | * | trans | -113.3 | 127.8 | 171.7 | -176.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 48 | P | 28.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -75.4 | 142.6 | 178.7 | 29.2 | -32.4 | 0 | 0 | 0 | 112.2 | ||||
| 49 | V | 29.6 | Very low | 28.3 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 60% | 0.6 | 75% | 0.749 | S | S | * | * | trans | -129.3 | 136.2 | 172.6 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | F51 | V49-F51 HydrophobicContact CB-CE2 4.4Å; V49-F51 HydrophobicContact CB-CZ 4.01Å; V49-F51 HydrophobicContact CG1-CE1 3.82Å; V49-F51 HydrophobicContact CG1-CE2 4.33Å; V49-F51 HydrophobicContact CG1-CZ 3.65Å | ||
| 50 | S | 26.5 | Very low | 28.5 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -103.8 | 140.2 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 51 | F | 29.5 | Very low | 28.7 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 40% | 0.395 | 74% | 0.741 | S | S | . | * | trans | -126 | 142.9 | 175.8 | -46.3 | -82.6 | 0 | 0 | 0 | 110.5 | L23 V25 V49 F53 V80 | L23-F51 HydrophobicContact CD2-CB 4.45Å; L23-F51 HydrophobicContact CD2-CD2 4.46Å; V25-F51 HydrophobicContact CB-CZ 4.5Å; V25-F51 HydrophobicContact CG1-CE1 4.43Å; V25-F51 HydrophobicContact CG1-CZ 4.22Å; V25-F51 HydrophobicContact CG2-CD2 4.39Å; V25-F51 HydrophobicContact CG2-CE1 4.15Å; V25-F51 HydrophobicContact CG2-CE2 3.7Å; V25-F51 HydrophobicContact CG2-CZ 3.58Å; V49-F51 HydrophobicContact CB-CE2 4.4Å; V49-F51 HydrophobicContact CB-CZ 4.01Å; V49-F51 HydrophobicContact CG1-CE1 3.82Å; V49-F51 HydrophobicContact CG1-CE2 4.33Å; V49-F51 HydrophobicContact CG1-CZ 3.65Å; F51-F53 HydrophobicContact CB-CE2 4.1Å; F51-V80 HydrophobicContact CD1-CG2 4.21Å; F51-V80 HydrophobicContact CE1-CG2 4.19Å | ||
| 52 | C | 25.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -122.4 | 135 | 169.8 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 53 | F | 28.4 | Very low | 29.1 | Very low | 126 Ų | 126 | 124 Ų | 124 | 55% | 0.553 | 72% | 0.719 | S | S | * | * | trans | -115 | 117 | 172.1 | -70.5 | -96 | 0 | 0 | 0 | 108.6 | L23 F51 V80 | L23-F53 HydrophobicContact CD1-CD2 4.37Å; L23-F53 HydrophobicContact CD1-CE2 3.99Å; L23-F53 HydrophobicContact CD1-CZ 4.44Å; L23-F53 HydrophobicContact CD2-CD2 4.15Å; L23-F53 HydrophobicContact CD2-CE2 3.19Å; L23-F53 HydrophobicContact CD2-CZ 3.71Å; L23-F53 HydrophobicContact CG-CE2 4.28Å; F51-F53 HydrophobicContact CB-CE2 4.1Å; F53-V80 HydrophobicContact CE2-CG1 4.32Å; F53-V80 HydrophobicContact CZ-CB 4.5Å; F53-V80 HydrophobicContact CZ-CG1 3.72Å | ||
| 54 | T | 27.1 | Very low | 29.3 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | trans | -94.8 | 129 | 168.2 | 46.4 | 0 | 0 | 0 | 0 | 110.5 | S56 | T54-S56 PolarHBondContact O-N 3Å; T54-S56 VanDerWaalsContact O-N 3.11Å | ||
| 55 | Q | 25.9 | Very low | 29.4 | Very low | 196 Ų | 196 | 119.5 Ų | 119.5 | 92% | 0.916 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -83.1 | 78.2 | -177.9 | -165.7 | -179.4 | 36.5 | 0 | 0 | 109.6 | ||
| 56 | S | 35.8 | Very low | 29.4 | Very low | 102 Ų | 102 | 119.7 Ų | 119.7 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 174.7 | 106.1 | 156.4 | 38.8 | 0 | 0 | 0 | 0 | 111 | T54 Q58 | T54-S56 PolarHBondContact O-N 3Å; T54-S56 VanDerWaalsContact O-N 3.11Å; S56-Q58 VanDerWaalsContact C-N 3.31Å; S56-Q58 PolarHBondContact O-N 3.37Å |
| 57 | G | 32.1 | Very low | 29.7 | Very low | 89 Ų | 89 | 118 Ų | 118 | 92% | 0.918 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 71.2 | -15.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||
| 58 | Q | 29.6 | Very low | 29.7 | Very low | 164 Ų | 164 | 114.9 Ų | 114.9 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -143 | 111.6 | 175.1 | -78.5 | -174.3 | -45.4 | 0 | 0 | 111.8 | S56 V60 | S56-Q58 VanDerWaalsContact C-N 3.31Å; S56-Q58 PolarHBondContact O-N 3.37Å; Q58-V60 PolarHBondContact O-N 3.36Å | ||
| 59 | A | 29.4 | Very low | 30.1 | Very low | 84 Ų | 84 | 115.5 Ų | 115.5 | 69% | 0.694 | 68% | 0.676 | S | S | * | * | trans | -82.8 | 110.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F61 | A59-F61 HydrophobicContact CB-CE2 3.85Å; A59-F61 HydrophobicContact CB-CZ 4.27Å | ||
| 60 | V | 30.1 | Very low | 30.3 | Very low | 130 Ų | 130 | 116 Ų | 116 | 79% | 0.788 | 67% | 0.674 | S | S | * | * | trans | -107.1 | 120.6 | 165.3 | -178.5 | 0 | 0 | 0 | 0 | 106.6 | Q58 | Q58-V60 PolarHBondContact O-N 3.36Š| ||
| 61 | F | 28.2 | Very low | 30.7 | Very low | 159 Ų | 159 | 115.2 Ų | 115.2 | 70% | 0.697 | 66% | 0.662 | S | S | * | * | trans | -99.5 | 127.8 | 174.8 | -62.2 | -90 | 0 | 0 | 0 | 108.1 | A59 | A59-F61 HydrophobicContact CB-CE2 3.85Å; A59-F61 HydrophobicContact CB-CZ 4.27Å | ||
| 62 | E | 30.1 | Very low | 31 | Very low | 160 Ų | 160 | 115.3 Ų | 115.3 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | trans | -123.5 | 119.1 | 169.8 | -163.7 | 170.6 | -164.8 | 0 | 0 | 108.3 | M64 | E62-M64 HydrophobicContact CG-CG 4.18Š| ||
| 63 | V | 30.7 | Very low | 31.5 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 56% | 0.564 | 67% | 0.672 | S | S | * | * | trans | -96.8 | 108.1 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 106.5 | V78 | V63-V78 HydrophobicContact CG2-CG2 4.27Š| ||
| 64 | M | 30.4 | Very low | 31.8 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 70% | 0.7 | 67% | 0.674 | S | S | * | * | trans | -104.7 | 113.2 | 172.8 | -65 | -167.6 | 76.5 | 0 | 0 | 109.5 | E62 L66 | E62-M64 HydrophobicContact CG-CG 4.18Å; M64-L66 PolarHBondContact O-N 3.47Å | ||
| 65 | P | 31.6 | Very low | 32 | Very low | 74 Ų | 74 | 115.2 Ų | 115.2 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | trans | -71.6 | 100.7 | 168.8 | 26.8 | -29 | 0 | 0 | 0 | 109 | S67 | P65-S67 PolarHBondContact O-N 3.11Å; P65-S67 VanDerWaalsContact O-N 3.16Å | ||
| 66 | L | 28.9 | Very low | 32.1 | Very low | 134 Ų | 134 | 113 Ų | 113 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -66.9 | 106.9 | 158 | -79.2 | 156.5 | 0 | 0 | 0 | 106 | M64 | M64-L66 PolarHBondContact O-N 3.47Š|
| 67 | S | 34.8 | Very low | 31.7 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 79.9 | 77.1 | -176.2 | 70.8 | 0 | 0 | 0 | 0 | 117 | P65 V69 | P65-S67 PolarHBondContact O-N 3.11Å; P65-S67 VanDerWaalsContact O-N 3.16Å; S67-V69 VanDerWaalsContact C-N 3.31Å; S67-V69 PolarHBondContact O-N 2.65Å |
| 68 | G | 30.6 | Very low | 31.5 | Very low | 35 Ų | 35 | 114.2 Ų | 114.2 | 36% | 0.361 | 62% | 0.622 | S | S | . | * | S | Bend | 48.3 | 16.3 | 123.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | Y305 | G68-Y305 PolarHBondContact O-OH 3.31Š| |
| 69 | V | 37.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 108.5 Ų | 108.5 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | trans | -124.8 | 2.9 | -176.3 | -170.7 | 0 | 0 | 0 | 0 | 113.4 | S67 | S67-V69 VanDerWaalsContact C-N 3.31Å; S67-V69 PolarHBondContact O-N 2.65Å | ||
| 70 | I | 34.3 | Very low | 31.2 | Very low | 110 Ų | 110 | 106.5 Ų | 106.5 | 56% | 0.564 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -132.7 | 116.1 | -179.6 | -54 | 177.1 | 0 | 0 | 0 | 108.6 | P72 V75 | I70-P72 WeakPolarHBondContact O-CD 3.29Å; I70-V75 HydrophobicContact CG2-CG2 3.46Å; I70-V75 VanDerWaalsContact CG2-CG2 3.46Å |
| 71 | D | 35.4 | Very low | 31.1 | Very low | 83 Ų | 83 | 102.5 Ų | 102.5 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | trans | -60.4 | 119.4 | 170.5 | -177.3 | -14.2 | 0 | 0 | 0 | 108 | F73 D74 V75 | D71-F73 PolarHBondContact O-N 3.31Å; D71-F73 WeakPolarHBondContact OD1-CB 3.4Å; D71-F73 WeakPolarHBondContact OD1-CD2 3.47Å; D71-F73 PolarHBondContact OD1-N 2.67Å; D71-D74 HydrophobicContact CB-CB 4.07Å; D71-D74 WeakPolarHBondContact O-CB 3.4Å; D71-D74 PolarHBondContact O-N 3.1Å; D71-V75 PolarHBondContact O-N 3.16Å | ||
| 72 | P | 34.3 | Very low | 31 | Very low | 91 Ų | 91 | 101 Ų | 101 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -18.7 | 179.4 | 22.6 | -32 | 0 | 0 | 0 | 113 | I70 | I70-P72 WeakPolarHBondContact O-CD 3.29Š|
| 73 | F | 37 | Very low | 30.8 | Very low | 177 Ų | 177 | 99.3 Ų | 99.3 | 78% | 0.776 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -14.8 | 173.8 | -61.1 | -77.1 | 0 | 0 | 0 | 114 | D71 | D71-F73 PolarHBondContact O-N 3.31Å; D71-F73 WeakPolarHBondContact OD1-CB 3.4Å; D71-F73 WeakPolarHBondContact OD1-CD2 3.47Å; D71-F73 PolarHBondContact OD1-N 2.67Å |
| 74 | D | 34.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 101.1 Ų | 101.1 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -7.6 | 170.8 | -93.3 | -21.9 | 0 | 0 | 0 | 112.9 | D71 H76 | D71-D74 HydrophobicContact CB-CB 4.07Å; D71-D74 WeakPolarHBondContact O-CB 3.4Å; D71-D74 PolarHBondContact O-N 3.1Å; D74-H76 PolarHBondContact O-N 3.17Å; D74-H76 VanDerWaalsContact O-N 3.09Å |
| 75 | V | 31.7 | Very low | 30.6 | Very low | 58 Ų | 58 | 100.6 Ų | 100.6 | 35% | 0.352 | 57% | 0.567 | S | S | . | * | trans | -80.7 | 91.3 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | I70 D71 F77 V78 | I70-V75 HydrophobicContact CG2-CG2 3.46Å; I70-V75 VanDerWaalsContact CG2-CG2 3.46Å; D71-V75 PolarHBondContact O-N 3.16Å; V75-F77 PolarHBondContact O-N 3.45Å; V75-V78 HydrophobicContact CG1-CG2 3.82Å | ||
| 76 | H | 26.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 101.2 Ų | 101.2 | 69% | 0.694 | 58% | 0.579 | S | S | * | * | trans | -75.2 | -19.6 | -179.2 | -69.9 | -55.7 | 0 | 0 | 0 | 114.5 | D74 | D74-H76 PolarHBondContact O-N 3.17Å; D74-H76 VanDerWaalsContact O-N 3.09Å | ||
| 77 | F | 27.8 | Very low | 30.5 | Very low | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.614 | 58% | 0.575 | S | S | * | * | trans | -172.9 | 149.1 | 173.9 | 39.2 | -97.9 | 0 | 0 | 0 | 114.9 | V27 V75 | V27-F77 HydrophobicContact CB-CB 4.43Å; V27-F77 HydrophobicContact CB-CD2 4.02Å; V27-F77 HydrophobicContact CB-CG 4.46Å; V27-F77 HydrophobicContact CG1-CB 4.04Å; V27-F77 HydrophobicContact CG1-CD2 4.26Å; V27-F77 HydrophobicContact CG1-CG 4.24Å; V27-F77 HydrophobicContact CG2-CB 3.9Å; V27-F77 HydrophobicContact CG2-CD2 3.87Å; V27-F77 HydrophobicContact CG2-CG 4.28Å; V75-F77 PolarHBondContact O-N 3.45Å | ||
| 78 | V | 28.3 | Very low | 30.2 | Very low | 76 Ų | 76 | 102.6 Ų | 102.6 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | trans | -134.8 | 139.7 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | V25 V63 V75 | V25-V78 HydrophobicContact CG1-CG1 4.04Å; V63-V78 HydrophobicContact CG2-CG2 4.27Å; V75-V78 HydrophobicContact CG1-CG2 3.82Å | ||
| 79 | S | 26.8 | Very low | 30.1 | Very low | 45 Ų | 45 | 105.4 Ų | 105.4 | 32% | 0.315 | 60% | 0.596 | S | S | . | * | trans | -158.5 | 142.7 | 175.8 | 167 | 0 | 0 | 0 | 0 | 111.6 | V25 S26 V27 | V25-S79 CarbonylContact C-O 3.04Å; V25-S79 WeakPolarHBondContact CA-O 3.46Å; V25-S79 WeakPolarHBondContact CB-O 3.41Å; V25-S79 WeakPolarHBondContact CG1-O 3.3Å; S26-S79 CarbonylContact C-O 2.96Å; S26-S79 VanDerWaalsContact C-O 3.26Å; S26-S79 WeakPolarHBondContact CA-O 3.24Å; S26-S79 PolarHBondContact N-O 3.22Å; S26-S79 WeakPolarHBondContact O-CB 3.48Å; S26-S79 PolarHBondContact O-OG 3.03Å; V27-S79 VanDerWaalsContact CA-CB 3.48Å | ||
| 80 | V | 26.6 | Very low | 29.7 | Very low | 42 Ų | 42 | 109 Ų | 109 | 26% | 0.255 | 60% | 0.604 | S | S | . | * | trans | -110.1 | 125.1 | -157.3 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | L23 T24 V25 F51 F53 | L23-V80 HydrophobicContact CD2-CG1 3.17Å; L23-V80 HydrophobicContact CG-CG1 3.93Å; T24-V80 CarbonylContact O-C 2.67Å; T24-V80 WeakPolarHBondContact O-CG1 3.48Å; V25-V80 VanDerWaalsContact CB-CA 3.48Å; V25-V80 HydrophobicContact CB-CB 4.2Å; V25-V80 HydrophobicContact CB-CG2 4.07Å; V25-V80 HydrophobicContact CG1-CB 4.17Å; V25-V80 HydrophobicContact CG1-CG2 3.6Å; V25-V80 HydrophobicContact CG2-CB 3.76Å; V25-V80 HydrophobicContact CG2-CG1 3.72Å; V25-V80 HydrophobicContact CG2-CG2 3.54Å; F51-V80 HydrophobicContact CD1-CG2 4.21Å; F51-V80 HydrophobicContact CE1-CG2 4.19Å; F53-V80 HydrophobicContact CE2-CG1 4.32Å; F53-V80 HydrophobicContact CZ-CB 4.5Å; F53-V80 HydrophobicContact CZ-CG1 3.72Å | ||
| 81 | A | 27.6 | Very low | 29.4 | Very low | 46 Ų | 46 | 108.5 Ų | 108.5 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | trans | -154.7 | 123 | 170 | 0 | 0 | 0 | 0 | 0 | 117.4 | T24 V25 | T24-A81 CarbonylContact C-O 3.26Å; T24-A81 VanDerWaalsContact CA-O 3.25Å; T24-A81 WeakPolarHBondContact CA-O 3.42Å; T24-A81 WeakPolarHBondContact CB-O 3.18Å; T24-A81 CarbonylContact O-C 3.36Å; T24-A81 VanDerWaalsContact O-CA 3.23Å; T24-A81 WeakPolarHBondContact O-CA 3.31Å; T24-A81 PolarHBondContact O-N 2.86Å; T24-A81 VanDerWaalsContact O-O 3.08Å; T24-A81 PolarHBondContact OG1-O 3.42Å; V25-A81 VanDerWaalsContact CA-N 3.26Å; V25-A81 PolarHBondContact N-O 3.29Å | ||
| 82 | L | 25.6 | Very low | 29.3 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 66% | 0.66 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 153.6 | -173.7 | -68 | 118 | 0 | 0 | 0 | 119.4 | L23 T24 | L23-L82 HydrophobicContact CB-CD2 4.37Å; L23-L82 HydrophobicContact CB-CG 4.48Å; L23-L82 HydrophobicContact CD1-CD1 3.87Å; L23-L82 HydrophobicContact CD1-CD2 3.79Å; L23-L82 HydrophobicContact CD1-CG 3.71Å; L23-L82 HydrophobicContact CG-CD2 4.28Å; L23-L82 HydrophobicContact CG-CG 4Å; T24-L82 WeakPolarHBondContact OG1-CA 3.28Å |
| 83 | L | 26.6 | Very low | 29.2 | Very low | 125 Ų | 125 | 114.5 Ų | 114.5 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 141.7 | 172.5 | -118.2 | 113.1 | 0 | 0 | 0 | 112.2 | T24 | T24-L83 HydrophobicContact CG2-CD1 3.81Å; T24-L83 PolarHBondContact OG1-N 3.42Å |
| 84 | D | 27.4 | Very low | 29 | Very low | 131 Ų | 131 | 110.3 Ų | 110.3 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 134.7 | -175.8 | -144.4 | -9.1 | 0 | 0 | 0 | 111.8 | A86 | D84-A86 PolarHBondContact O-N 2.96Š|
| 85 | P | 28.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 109.3 Ų | 109.3 | 85% | 0.851 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -2.1 | -172.7 | -20.9 | 32.8 | 0 | 0 | 0 | 116.5 | ||
| 86 | A | 27.8 | Very low | 28.7 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 72% | 0.719 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 4.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D84 Q88 | D84-A86 PolarHBondContact O-N 2.96Å; A86-Q88 PolarHBondContact O-N 3.44Å |
| 87 | A | 29.9 | Very low | 28.9 | Very low | 76 Ų | 76 | 114.7 Ų | 114.7 | 63% | 0.628 | 62% | 0.62 | S | S | * | * | trans | -85 | 110.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 88 | Q | 29.2 | Very low | 28.9 | Very low | 184 Ų | 184 | 113.4 Ų | 113.4 | 86% | 0.86 | 62% | 0.619 | S | S | * | * | trans | -83 | 129.3 | 172.7 | -77.6 | -170.3 | -15 | 0 | 0 | 111.9 | A86 | A86-Q88 PolarHBondContact O-N 3.44Š| ||
| 89 | P | 29.4 | Very low | 29 | Very low | 94 Ų | 94 | 116 Ų | 116 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | trans | -79.4 | 126.6 | 174.8 | 29.6 | -28.4 | 0 | 0 | 0 | 111 | D91 L95 | P89-D91 VanDerWaalsContact C-N 3.32Å; P89-D91 PolarHBondContact O-N 3.13Å; P89-L95 HydrophobicContact CB-CD1 4.36Å; P89-L95 HydrophobicContact CG-CD1 3.77Å | ||
| 90 | Q | 28.4 | Very low | 29.2 | Very low | 204 Ų | 204 | 120.8 Ų | 120.8 | 95% | 0.953 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -81.9 | 5.8 | -176.9 | -83.7 | -165.1 | -8.3 | 0 | 0 | 115.5 | ||
| 91 | D | 28.3 | Very low | 29.4 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 52% | 0.524 | 67% | 0.672 | S | S | . | * | trans | -134.7 | 99.7 | -179.5 | -149 | -26.2 | 0 | 0 | 0 | 111.4 | P89 S93 V94 | P89-D91 VanDerWaalsContact C-N 3.32Å; P89-D91 PolarHBondContact O-N 3.13Å; D91-S93 PolarHBondContact O-N 3.34Å; D91-S93 PolarHBondContact OD1-OG 2.74Å; D91-V94 HydrophobicContact CB-CG2 4.48Å | ||
| 92 | R | 32.6 | Very low | 29.5 | Very low | 228 Ų | 228 | 129.2 Ų | 129.2 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -17.2 | -179.8 | -95.7 | 178.7 | 168.4 | 170.4 | -4.9 | 113.3 | V94 | R92-V94 PolarHBondContact O-N 3.1Š|
| 93 | S | 33.3 | Very low | 29.8 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 51% | 0.51 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -11.9 | -175.1 | 69.3 | 0 | 0 | 0 | 0 | 114.9 | D91 | D91-S93 PolarHBondContact O-N 3.34Å; D91-S93 PolarHBondContact OD1-OG 2.74Å |
| 94 | V | 31.3 | Very low | 30 | Very low | 89 Ų | 89 | 131 Ų | 131 | 54% | 0.539 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | -22.3 | -175.5 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | D91 R92 | D91-V94 HydrophobicContact CB-CG2 4.48Å; R92-V94 PolarHBondContact O-N 3.1Å |
| 95 | L | 30.6 | Very low | 30.1 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 48% | 0.482 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78 | -37.1 | 177.2 | -92.5 | 144.2 | 0 | 0 | 0 | 112.7 | P89 K97 L98 | P89-L95 HydrophobicContact CB-CD1 4.36Å; P89-L95 HydrophobicContact CG-CD1 3.77Å; L95-K97 VanDerWaalsContact C-N 3.26Å; L95-K97 PolarHBondContact O-N 3.3Å; L95-L98 PolarHBondContact O-N 3.13Å |
| 96 | E | 30.3 | Very low | 30 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -15.1 | -178.9 | -75.1 | 179.6 | 159.5 | 0 | 0 | 114.4 | ||
| 97 | K | 30.9 | Very low | 30.2 | Very low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -10.8 | 175.8 | -86.4 | 175.8 | 177 | 171.6 | 0 | 114.4 | L95 | L95-K97 VanDerWaalsContact C-N 3.26Å; L95-K97 PolarHBondContact O-N 3.3Å |
| 98 | L | 27.3 | Very low | 30.1 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 59% | 0.592 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -21.7 | 177.1 | -97 | 138.2 | 0 | 0 | 0 | 112.6 | L95 L100 | L95-L98 PolarHBondContact O-N 3.13Å; L98-L100 PolarHBondContact O-N 3.02Å |
| 99 | E | 31.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 61% | 0.607 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -12.2 | -178.7 | -74.6 | -177.3 | 147.4 | 0 | 0 | 115.1 | ||
| 100 | L | 30.2 | Very low | 30.1 | Very low | 146 Ų | 146 | 137 Ų | 137 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -13.6 | -175.9 | -109.6 | 139.8 | 0 | 0 | 0 | 115.2 | L98 | L98-L100 PolarHBondContact O-N 3.02Š|
| 101 | N | 30.2 | Very low | 30.2 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -104.6 | -0.7 | -178.8 | -74.1 | -26.6 | 0 | 0 | 0 | 114.5 | ||
| 102 | V | 30 | Very low | 30.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -103.1 | -13 | -176.1 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | A104 | V102-A104 VanDerWaalsContact C-N 3.25Å; V102-A104 PolarHBondContact O-N 3.3Å |
| 103 | K | 32.4 | Very low | 29.9 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 7.5 | 180 | -75.2 | -175.3 | 174.2 | -179.7 | 0 | 115.5 | ||
| 104 | A | 31.7 | Very low | 29.6 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 8.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | V102 | V102-A104 VanDerWaalsContact C-N 3.25Å; V102-A104 PolarHBondContact O-N 3.3Å |
| 105 | A | 28.7 | Very low | 29.4 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -129.3 | 81.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 106 | Q | 27.2 | Very low | 29.3 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -84.9 | 107.2 | 167.5 | -79.2 | 173.4 | -45 | 0 | 0 | 110.2 | ||||
| 107 | V | 30.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -143.8 | 128.5 | 155.7 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 108 | S | 28.5 | Very low | 29 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -74.4 | 139.4 | -173 | 58.1 | 0 | 0 | 0 | 0 | 114 | D110 | S108-D110 PolarHBondContact O-N 2.96Š| ||
| 109 | L | 28.4 | Very low | 29.2 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -78.3 | -8.2 | -169.4 | -165.4 | 63.7 | 0 | 0 | 0 | 115.4 | S111 | L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.74Å |
| 110 | D | 29.5 | Very low | 29 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -81.4 | 4.4 | -171.5 | -67 | -36.3 | 0 | 0 | 0 | 115.5 | S108 | S108-D110 PolarHBondContact O-N 2.96Š|
| 111 | S | 32.1 | Very low | 29 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -105 | 6.2 | -173 | -63.1 | 0 | 0 | 0 | 0 | 116.1 | L109 | L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.74Å |
| 112 | L | 28.6 | Very low | 28.9 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -115.2 | 3.3 | -177.3 | -76.8 | 168.2 | 0 | 0 | 0 | 115.3 | ||
| 113 | L | 24.6 | Very low | 28.7 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -99.3 | 81.9 | 177.2 | -69.2 | 174.7 | 0 | 0 | 0 | 111.8 | ||||
| 114 | A | 27 | Very low | 28.3 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -162.1 | 125.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 115 | R | 28.7 | Very low | 28 | Very low | 244 Ų | 244 | 144.3 Ų | 144.3 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 104.7 | 97.6 | 155.9 | -60.5 | 173.6 | 78 | 154.9 | 1.9 | 118.1 | ||||
| 116 | E | 26.8 | Very low | 27.9 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -42.8 | 152.6 | 147.8 | -59.2 | 169.9 | 129.9 | 0 | 0 | 113.1 | ||||
| 117 | V | 29.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 145 Ų | 145 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -160.1 | 135.7 | 109 | 167.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 118 | T | 27.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -68.3 | 149 | 178.6 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 119 | S | 31.2 | Very low | 27.3 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | 177.9 | 134.1 | 124.6 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 120 | S | 26.9 | Very low | 27 | Very low | 88 Ų | 88 | 146 Ų | 146 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | trans | -92.7 | 148.9 | -172.4 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 121 | K | 29.2 | Very low | 26.7 | Very low | 207 Ų | 207 | 145.5 Ų | 145.5 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | 146.3 | 127.2 | 121.1 | -86.4 | 166.1 | 178.9 | 175.9 | 0 | 113.7 | |||||
| 122 | G | 28.3 | Very low | 26.3 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 129.6 | 85.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 123 | R | 25.4 | Very low | 26.1 | Very low | 230 Ų | 230 | 153.6 Ų | 153.6 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | 38.8 | 129.9 | 83.9 | -84 | -170.8 | -177.9 | 165.3 | 1.1 | 112 | |||||
| 124 | E | 24.7 | Very low | 25.9 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 66% | 0.659 | 81% | 0.807 | S | S | * | * | cis | 178.9 | 159.6 | 3.8 | -139 | 171.6 | -149.2 | 0 | 0 | 105.7 | ||||
| 125 | N | 25.6 | Very low | 25.7 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | 80 | 122.4 | 156.6 | -51.5 | -36.7 | 0 | 0 | 0 | 120.1 | ||||
| 126 | I | 26.7 | Very low | 25.3 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | 165.3 | 110 | 102.9 | -77.3 | 173.4 | 0 | 0 | 0 | 111.8 | |||||
| 127 | I | 25 | Very low | 25.1 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | 61.6 | 137.2 | 126.7 | -50.5 | 175.3 | 0 | 0 | 0 | 122.7 | |||||
| 128 | T | 22.9 | Very low | 24.8 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 161.5 | -177.5 | 39.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 129 | K | 24.1 | Very low | 24.6 | Very low | 204 Ų | 204 | 150.1 Ų | 150.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 147.3 | 146.5 | 139.2 | -85.3 | 176.1 | -178.9 | -177.7 | 0 | 109.6 | ||||
| 130 | A | 23.7 | Very low | 24.2 | Very low | 88 Ų | 88 | 152.1 Ų | 152.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -175.9 | 154.3 | -3.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 131 | C | 23.6 | Very low | 24 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -160.4 | 105.2 | 151 | -114.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 132 | E | 22.8 | Very low | 23.8 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -96.8 | 133.1 | 160.5 | -72.1 | 176.6 | 152.9 | 0 | 0 | 108.3 | ||||
| 133 | R | 23.7 | Very low | 23.6 | Very low | 251 Ų | 251 | 151.9 Ų | 151.9 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | trans | 165.6 | 106.7 | 143.7 | -93.4 | 166.5 | 177.8 | -171.9 | -0.4 | 110.6 | ||||
| 134 | V | 21.4 | Very low | 23.4 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -121.4 | 119.1 | 160.5 | 175.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 135 | Q | 22 | Very low | 23.6 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | trans | -87 | 134.3 | 165.6 | -94.9 | 179.5 | -34.1 | 0 | 0 | 109 | ||||
| 136 | V | 21 | Very low | 23.5 | Very low | 130 Ų | 130 | 161.3 Ų | 161.3 | 79% | 0.788 | 83% | 0.831 | S | S | * | * | trans | -104.6 | 127.7 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 137 | S | 22.5 | Very low | 23.5 | Very low | 111 Ų | 111 | 164.8 Ų | 164.8 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | trans | -127.1 | 120.7 | 168.7 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 138 | T | 22.1 | Very low | 23.8 | Very low | 129 Ų | 129 | 164.9 Ų | 164.9 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -74.7 | 136 | -178.8 | -32.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 139 | I | 23.2 | Very low | 24 | Very low | 161 Ų | 161 | 168.4 Ų | 168.4 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | trans | -104.1 | 122.1 | 172.8 | -60.1 | 175 | 0 | 0 | 0 | 109 | ||||
| 140 | H | 22.6 | Very low | 24.5 | Very low | 165 Ų | 165 | 168.3 Ų | 168.3 | 76% | 0.764 | 84% | 0.839 | S | S | * | * | trans | -82.2 | 143 | 172.9 | -103.1 | -86.1 | 0 | 0 | 0 | 111.5 | ||||
| 141 | P | 23 | Very low | 24.7 | Very low | 117 Ų | 117 | 168.1 Ų | 168.1 | 76% | 0.76 | 85% | 0.847 | S | S | * | * | trans | -94.8 | 125.8 | 177.9 | 33.7 | -27.5 | 0 | 0 | 0 | 111.4 | ||||
| 142 | C | 24.5 | Very low | 25.1 | Very low | 114 Ų | 114 | 164.6 Ų | 164.6 | 77% | 0.77 | 83% | 0.833 | S | S | * | * | trans | -140.3 | 108.8 | 172.1 | -69.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 143 | V | 24.9 | Very low | 25.5 | Very low | 131 Ų | 131 | 162.6 Ų | 162.6 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | 73 | 109.9 | 128.9 | -169.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 144 | R | 22.2 | Very low | 26.3 | Very low | 247 Ų | 247 | 159.4 Ų | 159.4 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | trans | -54.2 | 133.5 | 158.9 | -78.8 | 174.3 | 166.5 | 168 | -3.7 | 112.3 | ||||
| 145 | K | 27.5 | Very low | 27 | Very low | 208 Ų | 208 | 162.1 Ų | 162.1 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -123.2 | 121.6 | 154.1 | -84.2 | -174.2 | 177.6 | 177 | 0 | 111 | ||||
| 146 | R | 23.2 | Very low | 27.4 | Very low | 245 Ų | 245 | 163.9 Ų | 163.9 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -84.4 | 161.6 | 166.3 | -114.6 | -177.1 | 173.6 | -175.6 | -2.3 | 109.5 | ||||
| 147 | R | 27.9 | Very low | 28.1 | Very low | 221 Ų | 221 | 161 Ų | 161 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | 101 | 138.3 | 166.7 | -63.2 | -174 | 169.5 | -174.5 | -2.6 | 113.3 | ||||
| 148 | Q | 30.4 | Very low | 28.8 | Very low | 158 Ų | 158 | 161 Ų | 161 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | cis | -163 | 146.9 | 6.1 | -123.3 | 177.2 | 0.4 | 0 | 0 | 108 | ||||
| 149 | H | 27.9 | Very low | 29.6 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -64.1 | 130.8 | 168.3 | -99 | -88 | 0 | 0 | 0 | 110.8 | ||||
| 150 | K | 34.5 | Very low | 30.2 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -133.3 | 125.4 | 153.4 | -95.3 | -172.5 | 175.1 | -177.8 | 0 | 108.7 | ||||
| 151 | G | 27.8 | Very low | 30.9 | Very low | 85 Ų | 85 | 148.5 Ų | 148.5 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | trans | -66.3 | 142.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 152 | G | 32.5 | Very low | 31.6 | Very low | 64 Ų | 64 | 147.4 Ų | 147.4 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -150.2 | 110.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | H154 | G152-H154 PolarHBondContact O-N 2.92Š| ||
| 153 | T | 29.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 90% | 0.896 | 74% | 0.741 | S | S | * | * | trans | -61.3 | 113.5 | 170.9 | 37.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 154 | H | 41.8 | Very low | 32.7 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | trans | -129 | 126 | 166.6 | -96.5 | -78.1 | 0 | 0 | 0 | 109.9 | G152 | G152-H154 PolarHBondContact O-N 2.92Š| ||
| 155 | Q | 35.8 | Very low | 33.3 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 91% | 0.907 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 141 | 175.8 | -76.2 | 169.4 | -23.3 | 0 | 0 | 110.8 | ||
| 156 | R | 31.1 | Very low | 33.7 | Very low | 237 Ų | 237 | 130.7 Ų | 130.7 | 89% | 0.894 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 127.4 | -178.7 | -166.4 | 177.6 | -174 | -174.2 | 0.5 | 109 | ||
| 157 | P | 34.4 | Very low | 34.3 | Very low | 71 Ų | 71 | 122 Ų | 122 | 46% | 0.461 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 138.8 | 176.7 | 26.1 | -30.8 | 0 | 0 | 0 | 109.9 | E162 V163 | P157-E162 HydrophobicContact CB-CB 4.17Å; P157-V163 HydrophobicContact CB-CG2 4.09Å; P157-V163 HydrophobicContact CG-CG2 3.71Å |
| 158 | S | 38.1 | Very low | 34.6 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 77% | 0.769 | 65% | 0.645 | S | S | * | * | trans | -97.5 | 0.1 | -168.3 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | E162 | S158-E162 PolarHBondContact N-OE2 3.07Å; S158-E162 PolarHBondContact OG-OE2 2.89Å | ||
| 159 | S | 39.4 | Very low | 34.6 | Very low | 48 Ų | 48 | 111 Ų | 111 | 34% | 0.336 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -149.6 | 154.8 | 176.4 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | S161 E162 V163 | S159-S161 PolarHBondContact O-N 2.98Å; S159-S161 PolarHBondContact OG-OG 3.31Å; S159-E162 PolarHBondContact O-N 3.21Å; S159-V163 PolarHBondContact O-N 3.42Å |
| 160 | A | 35 | Very low | 34.8 | Very low | 76 Ų | 76 | 104.4 Ų | 104.4 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.2 | -27.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M164 | A160-M164 PolarHBondContact O-N 3.49Å |
| 161 | S | 37.1 | Very low | 34.9 | Very low | 68 Ų | 68 | 102 Ų | 102 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.8 | -35.2 | 178.1 | 79.8 | 0 | 0 | 0 | 0 | 112.6 | S159 V163 M164 N165 | S159-S161 PolarHBondContact O-N 2.98Å; S159-S161 PolarHBondContact OG-OG 3.31Å; S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 3.31Å; S161-M164 PolarHBondContact O-N 2.93Å; S161-N165 PolarHBondContact O-N 3.3Å; S161-N165 PolarHBondContact O-ND2 2.89Å |
| 162 | E | 38.2 | Very low | 35.1 | Very low | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -35.9 | 173.7 | -76.8 | -177.2 | 155.4 | 0 | 0 | 112.1 | P157 S158 S159 N165 A166 | P157-E162 HydrophobicContact CB-CB 4.17Å; S158-E162 PolarHBondContact N-OE2 3.07Å; S158-E162 PolarHBondContact OG-OE2 2.89Å; S159-E162 PolarHBondContact O-N 3.21Å; E162-N165 PolarHBondContact O-N 3.41Å; E162-A166 VanDerWaalsContact O-CB 3.3Å; E162-A166 WeakPolarHBondContact O-CB 3.42Å; E162-A166 PolarHBondContact O-N 3.24Å |
| 163 | V | 36.9 | Very low | 35.1 | Very low | 79 Ų | 79 | 108.3 Ų | 108.3 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.8 | -40.5 | 176 | 178.9 | 0 | 0 | 0 | 0 | 111 | P157 S159 S161 S167 | P157-V163 HydrophobicContact CB-CG2 4.09Å; P157-V163 HydrophobicContact CG-CG2 3.71Å; S159-V163 PolarHBondContact O-N 3.42Å; S161-V163 VanDerWaalsContact C-N 3.34Å; S161-V163 PolarHBondContact O-N 3.31Å; V163-S167 VanDerWaalsContact O-CB 3.3Å; V163-S167 WeakPolarHBondContact O-CB 3.1Å; V163-S167 PolarHBondContact O-N 2.75Å; V163-S167 VanDerWaalsContact O-N 3.08Å |
| 164 | M | 35.1 | Very low | 35.3 | Very low | 110 Ų | 110 | 107 Ų | 107 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -44.1 | 176 | -75.2 | -163.1 | -77.4 | 0 | 0 | 112.3 | A160 S161 A166 S167 L168 | A160-M164 PolarHBondContact O-N 3.49Å; S161-M164 PolarHBondContact O-N 2.93Å; M164-A166 PolarHBondContact O-N 3.41Å; M164-S167 PolarHBondContact O-N 2.86Å; M164-L168 WeakPolarHBondContact O-CB 3.43Å; M164-L168 VanDerWaalsContact O-CG 3.31Å; M164-L168 WeakPolarHBondContact O-CG 3.48Å; M164-L168 PolarHBondContact O-N 3.01Å |
| 165 | N | 35.8 | Very low | 35 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66 | -36.4 | 179 | -77.6 | -27.2 | 0 | 0 | 0 | 113.3 | S161 E162 S169 | S161-N165 PolarHBondContact O-N 3.3Å; S161-N165 PolarHBondContact O-ND2 2.89Å; E162-N165 PolarHBondContact O-N 3.41Å; N165-S169 WeakPolarHBondContact O-CB 3.22Å; N165-S169 PolarHBondContact O-N 3.09Å; N165-S169 PolarHBondContact O-OG 3.44Å; N165-S169 VanDerWaalsContact O-OG 3.05Å |
| 166 | A | 35.2 | Very low | 34.6 | Very low | 63 Ų | 63 | 103.8 Ų | 103.8 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E162 M164 A170 | E162-A166 VanDerWaalsContact O-CB 3.3Å; E162-A166 WeakPolarHBondContact O-CB 3.42Å; E162-A166 PolarHBondContact O-N 3.24Å; M164-A166 PolarHBondContact O-N 3.41Å; A166-A170 WeakPolarHBondContact O-CB 3.48Å; A166-A170 PolarHBondContact O-N 3.36Å |
| 167 | S | 36.2 | Very low | 34.7 | Very low | 64 Ų | 64 | 97.1 Ų | 97.1 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.6 | -36.9 | 176.8 | -155.4 | 0 | 0 | 0 | 0 | 112.1 | V163 M164 A170 K171 | V163-S167 VanDerWaalsContact O-CB 3.3Å; V163-S167 WeakPolarHBondContact O-CB 3.1Å; V163-S167 PolarHBondContact O-N 2.75Å; V163-S167 VanDerWaalsContact O-N 3.08Å; M164-S167 PolarHBondContact O-N 2.86Å; S167-A170 PolarHBondContact O-N 2.9Å; S167-K171 WeakPolarHBondContact O-CB 3.16Å; S167-K171 PolarHBondContact O-N 3.29Å |
| 168 | L | 33.6 | Very low | 34.5 | Very low | 66 Ų | 66 | 100 Ų | 100 | 35% | 0.346 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -48.6 | 172.2 | -78.9 | 162.9 | 0 | 0 | 0 | 111.6 | M164 A170 K171 I172 I197 | M164-L168 WeakPolarHBondContact O-CB 3.43Å; M164-L168 VanDerWaalsContact O-CG 3.31Å; M164-L168 WeakPolarHBondContact O-CG 3.48Å; M164-L168 PolarHBondContact O-N 3.01Å; L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 2.92Å; L168-K171 PolarHBondContact O-N 3.19Å; L168-I172 WeakPolarHBondContact O-CB 3.46Å; L168-I172 WeakPolarHBondContact O-CD1 3.3Å; L168-I172 VanDerWaalsContact O-CG1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.33Å; L168-I172 PolarHBondContact O-N 3.49Å; L168-I197 HydrophobicContact CD2-CD1 4.08Å |
| 169 | S | 31.4 | Very low | 34.2 | Very low | 80 Ų | 80 | 102.7 Ų | 102.7 | 56% | 0.559 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.9 | -35.2 | 177.4 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | N165 K173 | N165-S169 WeakPolarHBondContact O-CB 3.22Å; N165-S169 PolarHBondContact O-N 3.09Å; N165-S169 PolarHBondContact O-OG 3.44Å; N165-S169 VanDerWaalsContact O-OG 3.05Å; S169-K173 WeakPolarHBondContact O-CB 3.16Å; S169-K173 PolarHBondContact O-N 3.4Å |
| 170 | A | 32.1 | Very low | 34.1 | Very low | 55 Ų | 55 | 105.5 Ų | 105.5 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.4 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A166 S167 L168 K173 V174 | A166-A170 WeakPolarHBondContact O-CB 3.48Å; A166-A170 PolarHBondContact O-N 3.36Å; S167-A170 PolarHBondContact O-N 2.9Å; L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 2.92Å; A170-K173 PolarHBondContact O-N 3.44Å; A170-V174 WeakPolarHBondContact O-CG2 3.31Å; A170-V174 PolarHBondContact O-N 3.25Å; A170-V174 VanDerWaalsContact O-N 3.08Å |
| 171 | K | 35.6 | Very low | 34.3 | Very low | 151 Ų | 151 | 106.3 Ų | 106.3 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.4 | -40.2 | 178.3 | -81 | -179.9 | 174.7 | -179.5 | 0 | 112.9 | S167 L168 K173 V174 N175 | S167-K171 WeakPolarHBondContact O-CB 3.16Å; S167-K171 PolarHBondContact O-N 3.29Å; L168-K171 PolarHBondContact O-N 3.19Å; K171-K173 VanDerWaalsContact C-N 3.31Å; K171-K173 PolarHBondContact O-N 3.39Å; K171-V174 PolarHBondContact O-N 3.1Å; K171-N175 PolarHBondContact O-N 3.48Å |
| 172 | I | 32.3 | Very low | 34.5 | Very low | 107 Ų | 107 | 111.2 Ų | 111.2 | 55% | 0.549 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.1 | -37.3 | 177.6 | -67 | 166.1 | 0 | 0 | 0 | 110.8 | L168 W176 | L168-I172 WeakPolarHBondContact O-CB 3.46Å; L168-I172 WeakPolarHBondContact O-CD1 3.3Å; L168-I172 VanDerWaalsContact O-CG1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.33Å; L168-I172 PolarHBondContact O-N 3.49Å; I172-W176 PolarHBondContact O-N 2.96Å |
| 173 | K | 32 | Very low | 34.2 | Very low | 175 Ų | 175 | 109.2 Ų | 109.2 | 76% | 0.761 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.1 | -26.7 | -178.8 | -147.5 | 171.1 | -168.3 | 175 | 0 | 113.7 | S169 A170 K171 | S169-K173 WeakPolarHBondContact O-CB 3.16Å; S169-K173 PolarHBondContact O-N 3.4Å; A170-K173 PolarHBondContact O-N 3.44Å; K171-K173 VanDerWaalsContact C-N 3.31Å; K171-K173 PolarHBondContact O-N 3.39Å |
| 174 | V | 35 | Very low | 34.2 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.9 | -28.6 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | A170 K171 | A170-V174 WeakPolarHBondContact O-CG2 3.31Å; A170-V174 PolarHBondContact O-N 3.25Å; A170-V174 VanDerWaalsContact O-N 3.08Å; K171-V174 PolarHBondContact O-N 3.1Å |
| 175 | N | 34.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -87.9 | -9.5 | 176.8 | -90.5 | 11.8 | 0 | 0 | 0 | 114.5 | K171 S177 | K171-N175 PolarHBondContact O-N 3.48Å; N175-S177 PolarHBondContact O-N 3.36Å |
| 176 | W | 27.3 | Very low | 34.6 | Very low | 202 Ų | 202 | 111.3 Ų | 111.3 | 77% | 0.765 | 64% | 0.644 | S | S | * | * | trans | -97.5 | 84.9 | 176.5 | -99.5 | 69 | 0 | 0 | 0 | 110.9 | I172 | I172-W176 PolarHBondContact O-N 2.96Š| ||
| 177 | S | 33.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | trans | -125.6 | 122.5 | 159.6 | -106.8 | 0 | 0 | 0 | 0 | 109.9 | N175 M179 | N175-S177 PolarHBondContact O-N 3.36Å; S177-M179 VanDerWaalsContact C-N 3.31Å; S177-M179 PolarHBondContact O-N 3Å | ||
| 178 | P | 29 | Very low | 35.3 | Very low | 132 Ų | 132 | 113 Ų | 113 | 86% | 0.857 | 64% | 0.643 | S | S | * | * | trans | -77.4 | 85.1 | 179.3 | 31.5 | -30.5 | 0 | 0 | 0 | 108.7 | ||||
| 179 | M | 32.8 | Very low | 35.9 | Very low | 166 Ų | 166 | 116.5 Ų | 116.5 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -127.1 | 114.2 | 170.8 | -83.4 | -163.1 | 149.5 | 0 | 0 | 111 | S177 | S177-M179 VanDerWaalsContact C-N 3.31Å; S177-M179 PolarHBondContact O-N 3Å | ||
| 180 | S | 36.2 | Very low | 36.6 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 76% | 0.755 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 43.7 | 108.3 | 153.3 | 59.8 | 0 | 0 | 0 | 0 | 119.6 | K182 | S180-K182 VanDerWaalsContact C-N 3.29Å; S180-K182 PolarHBondContact O-N 2.67Å |
| 181 | G | 40.6 | Very low | 37.6 | Very low | 92 Ų | 92 | 118 Ų | 118 | 95% | 0.948 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 69.6 | -8.3 | 139.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 182 | K | 40.3 | Very low | 38.8 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -106.3 | 29.5 | -179 | -68.1 | -176.5 | 178.2 | 178.1 | 0 | 114 | S180 F184 | S180-K182 VanDerWaalsContact C-N 3.29Å; S180-K182 PolarHBondContact O-N 2.67Å; K182-F184 VanDerWaalsContact C-N 3.28Å; K182-F184 PolarHBondContact O-N 3.32Å; K182-F184 VanDerWaalsContact O-N 3.16Å | ||
| 183 | G | 33 | Very low | 39.6 | Very low | 52 Ų | 52 | 117.4 Ų | 117.4 | 54% | 0.536 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.2 | -21.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | V187 | G183-V187 VanDerWaalsContact O-CG2 3.26Å; G183-V187 WeakPolarHBondContact O-CG2 3.48Å |
| 184 | F | 36.2 | Very low | 40.7 | Very low | 182 Ų | 182 | 112 Ų | 112 | 80% | 0.798 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -82 | -36.1 | -173.9 | -126.5 | -92.6 | 0 | 0 | 0 | 113.9 | K182 | K182-F184 VanDerWaalsContact C-N 3.28Å; K182-F184 PolarHBondContact O-N 3.32Å; K182-F184 VanDerWaalsContact O-N 3.16Å |
| 185 | A | 39.5 | Very low | 41.9 | Very low | 69 Ų | 69 | 111.2 Ų | 111.2 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.3 | -29.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E189 | A185-E189 PolarHBondContact O-N 3.29Å |
| 186 | V | 39.7 | Very low | 43.3 | Very low | 78 Ų | 78 | 111.9 Ų | 111.9 | 47% | 0.473 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72 | -32 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | L190 | V186-L190 WeakPolarHBondContact O-CB 3.45Å; V186-L190 PolarHBondContact O-N 3.48Å |
| 187 | V | 39.8 | Very low | 44.5 | Very low | 80 Ų | 80 | 106.3 Ų | 106.3 | 49% | 0.485 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.9 | -46.5 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | G183 E189 L190 D191 | G183-V187 VanDerWaalsContact O-CG2 3.26Å; G183-V187 WeakPolarHBondContact O-CG2 3.48Å; V187-E189 VanDerWaalsContact C-N 3.3Å; V187-E189 PolarHBondContact O-N 3.22Å; V187-L190 PolarHBondContact O-N 2.94Å; V187-D191 PolarHBondContact O-N 3.08Å |
| 188 | D | 45.6 | Very low | 45.8 | Very low | 84 Ų | 84 | 106.6 Ų | 106.6 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.3 | -37.7 | 176.4 | -84 | -1.4 | 0 | 0 | 0 | 113 | R192 | D188-R192 WeakPolarHBondContact O-CG 3.44Å; D188-R192 PolarHBondContact O-N 2.75Å; D188-R192 VanDerWaalsContact O-N 3.09Å |
| 189 | E | 46.5 | Very low | 47.7 | Very low | 138 Ų | 138 | 103.7 Ų | 103.7 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.4 | -32 | 178.4 | -170.3 | 158.8 | -169 | 0 | 0 | 112.3 | A185 V187 S193 | A185-E189 PolarHBondContact O-N 3.29Å; V187-E189 VanDerWaalsContact C-N 3.3Å; V187-E189 PolarHBondContact O-N 3.22Å; E189-S193 WeakPolarHBondContact O-CB 3.46Å; E189-S193 PolarHBondContact O-N 3.27Å; E189-S193 PolarHBondContact O-OG 3.48Å |
| 190 | L | 46.1 | Very low | 49 | Very low | 76 Ų | 76 | 99.2 Ų | 99.2 | 40% | 0.398 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 172.4 | -147.5 | 79.9 | 0 | 0 | 0 | 111 | V186 V187 R192 S193 V194 | V186-L190 WeakPolarHBondContact O-CB 3.45Å; V186-L190 PolarHBondContact O-N 3.48Å; V187-L190 PolarHBondContact O-N 2.94Å; L190-R192 PolarHBondContact O-N 3.18Å; L190-S193 WeakPolarHBondContact O-CB 3.05Å; L190-S193 PolarHBondContact O-N 2.92Å; L190-S193 VanDerWaalsContact O-N 3.11Å; L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 2.53Å |
| 191 | D | 52.4 | Low | 50.5 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.6 | -79.5 | -17.2 | 0 | 0 | 0 | 111.4 | V187 S193 V194 E195 | V187-D191 PolarHBondContact O-N 3.08Å; D191-S193 VanDerWaalsContact C-N 3.31Å; D191-S193 PolarHBondContact O-N 3.06Å; D191-V194 PolarHBondContact O-N 3.34Å; D191-E195 WeakPolarHBondContact O-CG 3.17Å; D191-E195 PolarHBondContact O-N 3.41Å |
| 192 | R | 60.9 | Low | 52.1 | Low | 186 Ų | 186 | 98.7 Ų | 98.7 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -38.7 | 171.9 | -73.4 | -178.6 | -148.2 | -160.1 | 4.7 | 112.7 | D188 L190 K196 | D188-R192 WeakPolarHBondContact O-CG 3.44Å; D188-R192 PolarHBondContact O-N 2.75Å; D188-R192 VanDerWaalsContact O-N 3.09Å; L190-R192 PolarHBondContact O-N 3.18Å; R192-K196 WeakPolarHBondContact O-CB 3.39Å; R192-K196 PolarHBondContact O-N 2.6Å |
| 193 | S | 50.8 | Low | 53.2 | Low | 58 Ų | 58 | 94.9 Ų | 94.9 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 178.7 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | E189 L190 D191 K196 I197 | E189-S193 WeakPolarHBondContact O-CB 3.46Å; E189-S193 PolarHBondContact O-N 3.27Å; E189-S193 PolarHBondContact O-OG 3.48Å; L190-S193 WeakPolarHBondContact O-CB 3.05Å; L190-S193 PolarHBondContact O-N 2.92Å; L190-S193 VanDerWaalsContact O-N 3.11Å; D191-S193 VanDerWaalsContact C-N 3.31Å; D191-S193 PolarHBondContact O-N 3.06Å; S193-K196 PolarHBondContact O-N 3Å; S193-I197 WeakPolarHBondContact O-CD1 3.47Å; S193-I197 VanDerWaalsContact O-CG1 3.24Å; S193-I197 WeakPolarHBondContact O-CG1 3.13Å; S193-I197 PolarHBondContact O-N 3.08Å |
| 194 | V | 54.1 | Low | 55 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 38% | 0.376 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -45 | 176 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L190 D191 K196 I197 K198 | L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 2.53Å; D191-V194 PolarHBondContact O-N 3.34Å; V194-K196 VanDerWaalsContact C-N 3.33Å; V194-K196 PolarHBondContact O-N 3.28Å; V194-I197 PolarHBondContact O-N 3.03Å; V194-I197 VanDerWaalsContact O-N 3.15Å; V194-K198 WeakPolarHBondContact O-CG 3.31Å; V194-K198 PolarHBondContact O-N 3.5Å |
| 195 | E | 60.5 | Low | 56.9 | Low | 101 Ų | 101 | 94 Ų | 94 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 175.1 | -74.7 | -56.4 | 135.1 | 0 | 0 | 112.2 | D191 I197 K198 T199 | D191-E195 WeakPolarHBondContact O-CG 3.17Å; D191-E195 PolarHBondContact O-N 3.41Å; E195-I197 VanDerWaalsContact C-N 3.33Å; E195-I197 PolarHBondContact O-N 3.41Å; E195-K198 PolarHBondContact O-N 3.38Å; E195-K198 IonicContact OE1-NZ 2.77Å; E195-K198 PolarHBondContact OE1-NZ 3.18Å; E195-T199 WeakPolarHBondContact O-CG2 3.48Å; E195-T199 PolarHBondContact O-N 3.38Å; E195-T199 PolarHBondContact O-OG1 3.43Å |
| 196 | K | 63.7 | Low | 58.2 | Low | 122 Ų | 122 | 95.7 Ų | 95.7 | 53% | 0.53 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 171.6 | -172.2 | -179.7 | -179.3 | -59.5 | 0 | 112.1 | R192 S193 V194 T199 D200 | R192-K196 WeakPolarHBondContact O-CB 3.39Å; R192-K196 PolarHBondContact O-N 2.6Å; S193-K196 PolarHBondContact O-N 3Å; V194-K196 VanDerWaalsContact C-N 3.33Å; V194-K196 PolarHBondContact O-N 3.28Å; K196-T199 WeakPolarHBondContact CA-OG1 3.36Å; K196-T199 PolarHBondContact O-OG1 3.3Å; K196-D200 IonicContact NZ-OD1 3.86Å; K196-D200 IonicContact NZ-OD2 2.65Å; K196-D200 PolarHBondContact NZ-OD2 3.4Å; K196-D200 WeakPolarHBondContact O-CB 3.35Å; K196-D200 PolarHBondContact O-N 3Å |
| 197 | I | 52 | Low | 59.4 | Low | 86 Ų | 86 | 95.4 Ų | 95.4 | 44% | 0.441 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.3 | -69.4 | 163 | 0 | 0 | 0 | 111.3 | L168 S193 V194 E195 D200 A201 | L168-I197 HydrophobicContact CD2-CD1 4.08Å; S193-I197 WeakPolarHBondContact O-CD1 3.47Å; S193-I197 VanDerWaalsContact O-CG1 3.24Å; S193-I197 WeakPolarHBondContact O-CG1 3.13Å; S193-I197 PolarHBondContact O-N 3.08Å; V194-I197 PolarHBondContact O-N 3.03Å; V194-I197 VanDerWaalsContact O-N 3.15Å; E195-I197 VanDerWaalsContact C-N 3.33Å; E195-I197 PolarHBondContact O-N 3.41Å; I197-D200 PolarHBondContact O-N 3.34Å; I197-A201 WeakPolarHBondContact O-CB 3.32Å; I197-A201 PolarHBondContact O-N 3.33Å |
| 198 | K | 61.8 | Low | 61 | Low | 103 Ų | 103 | 98 Ų | 98 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.2 | -71.8 | 177.7 | -172.1 | 167.5 | 0 | 111.3 | V194 E195 D200 A201 E202 | V194-K198 WeakPolarHBondContact O-CG 3.31Å; V194-K198 PolarHBondContact O-N 3.5Å; E195-K198 PolarHBondContact O-N 3.38Å; E195-K198 IonicContact OE1-NZ 2.77Å; E195-K198 PolarHBondContact OE1-NZ 3.18Å; K198-D200 PolarHBondContact O-N 2.99Å; K198-A201 PolarHBondContact O-N 3.17Å; K198-E202 WeakPolarHBondContact O-CB 3.19Å; K198-E202 WeakPolarHBondContact O-CG 3.34Å; K198-E202 PolarHBondContact O-N 3.34Å |
| 199 | T | 68.4 | Low | 62.4 | Low | 70 Ų | 70 | 98.1 Ų | 98.1 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 177 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | E195 K196 A201 F203 | E195-T199 WeakPolarHBondContact O-CG2 3.48Å; E195-T199 PolarHBondContact O-N 3.38Å; E195-T199 PolarHBondContact O-OG1 3.43Å; K196-T199 WeakPolarHBondContact CA-OG1 3.36Å; K196-T199 PolarHBondContact O-OG1 3.3Å; T199-A201 VanDerWaalsContact C-N 3.34Å; T199-A201 PolarHBondContact O-N 3.48Å; T199-F203 VanDerWaalsContact O-CB 3.3Å; T199-F203 WeakPolarHBondContact O-CB 3.49Å; T199-F203 PolarHBondContact O-N 3.18Å |
| 200 | D | 61.6 | Low | 63.3 | Low | 73 Ų | 73 | 92.5 Ų | 92.5 | 39% | 0.39 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 173.9 | -70.1 | -20.3 | 0 | 0 | 0 | 111.5 | K196 I197 K198 L204 | K196-D200 IonicContact NZ-OD1 3.86Å; K196-D200 IonicContact NZ-OD2 2.65Å; K196-D200 PolarHBondContact NZ-OD2 3.4Å; K196-D200 WeakPolarHBondContact O-CB 3.35Å; K196-D200 PolarHBondContact O-N 3Å; I197-D200 PolarHBondContact O-N 3.34Å; K198-D200 PolarHBondContact O-N 2.99Å; D200-L204 WeakPolarHBondContact O-CG 3.36Å; D200-L204 PolarHBondContact O-N 2.99Å |
| 201 | A | 67.5 | Low | 64.5 | Low | 55 Ų | 55 | 93.4 Ų | 93.4 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.4 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I197 K198 T199 F203 L204 K205 | I197-A201 WeakPolarHBondContact O-CB 3.32Å; I197-A201 PolarHBondContact O-N 3.33Å; K198-A201 PolarHBondContact O-N 3.17Å; T199-A201 VanDerWaalsContact C-N 3.34Å; T199-A201 PolarHBondContact O-N 3.48Å; A201-F203 VanDerWaalsContact C-N 3.28Å; A201-F203 PolarHBondContact O-N 3.14Å; A201-L204 PolarHBondContact O-N 3.43Å; A201-K205 PolarHBondContact O-N 3.02Å |
| 202 | E | 73.2 | Confident | 65.5 | Low | 133 Ų | 133 | 91.4 Ų | 91.4 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.6 | -39.4 | 172 | -73.7 | 173.4 | 176.1 | 0 | 0 | 111 | K198 K205 H206 | K198-E202 WeakPolarHBondContact O-CB 3.19Å; K198-E202 WeakPolarHBondContact O-CG 3.34Å; K198-E202 PolarHBondContact O-N 3.34Å; E202-K205 PolarHBondContact O-N 3.1Å; E202-H206 WeakPolarHBondContact O-CB 3.47Å; E202-H206 PolarHBondContact O-N 3.24Å |
| 203 | F | 64.6 | Low | 66.1 | Low | 92 Ų | 92 | 88 Ų | 88 | 40% | 0.404 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 174.2 | 178.9 | -97.6 | 0 | 0 | 0 | 112.2 | T199 A201 H206 Q207 | T199-F203 VanDerWaalsContact O-CB 3.3Å; T199-F203 WeakPolarHBondContact O-CB 3.49Å; T199-F203 PolarHBondContact O-N 3.18Å; A201-F203 VanDerWaalsContact C-N 3.28Å; A201-F203 PolarHBondContact O-N 3.14Å; F203-H206 PolarHBondContact O-N 2.92Å; F203-Q207 HydrophobicContact CD1-CG 4.41Å; F203-Q207 HydrophobicContact CE1-CG 4.02Å; F203-Q207 HydrophobicContact CZ-CG 4.15Å; F203-Q207 WeakPolarHBondContact O-CG 3.41Å; F203-Q207 PolarHBondContact O-N 3.36Å |
| 204 | L | 69.8 | Low | 66.7 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 177 | -74.8 | 170.4 | 0 | 0 | 0 | 112.3 | D200 A201 H206 Q207 E208 | D200-L204 WeakPolarHBondContact O-CG 3.36Å; D200-L204 PolarHBondContact O-N 2.99Å; A201-L204 PolarHBondContact O-N 3.43Å; L204-H206 VanDerWaalsContact C-N 3.33Å; L204-H206 PolarHBondContact O-N 3.39Å; L204-Q207 WeakPolarHBondContact O-CB 3.33Å; L204-Q207 PolarHBondContact O-N 3.03Å; L204-Q207 VanDerWaalsContact O-N 3.14Å; L204-E208 PolarHBondContact O-N 2.91Å |
| 205 | K | 75.7 | Confident | 67.6 | Low | 132 Ų | 132 | 89.7 Ų | 89.7 | 57% | 0.574 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 176 | -170.2 | -176.6 | 176.7 | -170.4 | 0 | 111.5 | A201 E202 Q207 E208 D209 | A201-K205 PolarHBondContact O-N 3.02Å; E202-K205 PolarHBondContact O-N 3.1Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 3.4Å; K205-E208 PolarHBondContact O-N 2.99Å; K205-D209 PolarHBondContact O-N 2.89Å |
| 206 | H | 68 | Low | 68.3 | Low | 105 Ų | 105 | 90.2 Ų | 90.2 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 174.4 | -176.2 | 52.2 | 0 | 0 | 0 | 112.1 | E202 F203 L204 M210 | E202-H206 WeakPolarHBondContact O-CB 3.47Å; E202-H206 PolarHBondContact O-N 3.24Å; F203-H206 PolarHBondContact O-N 2.92Å; L204-H206 VanDerWaalsContact C-N 3.33Å; L204-H206 PolarHBondContact O-N 3.39Å; H206-M210 WeakPolarHBondContact O-CB 3.46Å; H206-M210 VanDerWaalsContact O-CG 3.32Å; H206-M210 WeakPolarHBondContact O-CG 3.39Å; H206-M210 PolarHBondContact O-N 3.25Å |
| 207 | Q | 65 | Low | 68.3 | Low | 72 Ų | 72 | 88 Ų | 88 | 34% | 0.336 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 172.6 | -72.9 | -170.1 | -51.7 | 0 | 0 | 112.6 | F203 L204 K205 L211 | F203-Q207 HydrophobicContact CD1-CG 4.41Å; F203-Q207 HydrophobicContact CE1-CG 4.02Å; F203-Q207 HydrophobicContact CZ-CG 4.15Å; F203-Q207 WeakPolarHBondContact O-CG 3.41Å; F203-Q207 PolarHBondContact O-N 3.36Å; L204-Q207 WeakPolarHBondContact O-CB 3.33Å; L204-Q207 PolarHBondContact O-N 3.03Å; L204-Q207 VanDerWaalsContact O-N 3.14Å; K205-Q207 VanDerWaalsContact C-N 3.29Å; K205-Q207 PolarHBondContact O-N 3.4Å; Q207-L211 VanDerWaalsContact O-CG 3.31Å; Q207-L211 WeakPolarHBondContact O-CG 3.28Å; Q207-L211 PolarHBondContact O-N 3.3Å |
| 208 | E | 73.6 | Confident | 68.8 | Low | 134 Ų | 134 | 88.6 Ų | 88.6 | 63% | 0.626 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 175.9 | -72.4 | 178.4 | 168.5 | 0 | 0 | 112 | L204 K205 M210 L211 A212 | L204-E208 PolarHBondContact O-N 2.91Å; K205-E208 PolarHBondContact O-N 2.99Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 3.49Å; E208-L211 PolarHBondContact O-N 3.46Å; E208-A212 PolarHBondContact O-N 2.84Å |
| 209 | D | 74.4 | Confident | 69 | Low | 86 Ų | 86 | 88.3 Ų | 88.3 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.3 | -69.3 | -23.2 | 0 | 0 | 0 | 110.9 | K205 A212 E213 | K205-D209 PolarHBondContact O-N 2.89Å; D209-A212 PolarHBondContact O-N 3.32Å; D209-E213 PolarHBondContact O-N 3.24Å; D209-E213 VanDerWaalsContact O-N 3.07Å |
| 210 | M | 65.5 | Low | 68.8 | Low | 21 Ų | 21 | 89 Ų | 89 | 10% | 0.103 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 174.5 | -74.3 | -165.1 | -47 | 0 | 0 | 112.9 | H206 E208 A212 E213 L214 M256 F257 | H206-M210 WeakPolarHBondContact O-CB 3.46Å; H206-M210 VanDerWaalsContact O-CG 3.32Å; H206-M210 WeakPolarHBondContact O-CG 3.39Å; H206-M210 PolarHBondContact O-N 3.25Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 3.49Å; M210-A212 VanDerWaalsContact C-N 3.27Å; M210-A212 PolarHBondContact O-N 2.99Å; M210-E213 PolarHBondContact O-N 3.35Å; M210-L214 WeakPolarHBondContact O-CG 3.35Å; M210-L214 PolarHBondContact O-N 3.16Å; M210-M256 HydrophobicContact CG-CE 4.36Å; M210-M256 HydrophobicContact SD-CE 4.46Å; M210-F257 HydrophobicContact CB-CZ 3.98Å; M210-F257 HydrophobicContact CE-CD1 4.02Å; M210-F257 HydrophobicContact CE-CE1 3.58Å; M210-F257 HydrophobicContact CE-CZ 3.9Å; M210-F257 HydrophobicContact SD-CZ 4.46Å |
| 211 | L | 70.5 | Confident | 68.5 | Low | 95 Ų | 95 | 89.4 Ų | 89.4 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 175.8 | -76.2 | 171.3 | 0 | 0 | 0 | 111.4 | Q207 E208 L214 E215 | Q207-L211 VanDerWaalsContact O-CG 3.31Å; Q207-L211 WeakPolarHBondContact O-CG 3.28Å; Q207-L211 PolarHBondContact O-N 3.3Å; E208-L211 PolarHBondContact O-N 3.46Å; L211-L214 HydrophobicContact CD2-CD1 4.38Å; L211-L214 WeakPolarHBondContact O-CB 3.49Å; L211-L214 PolarHBondContact O-N 2.93Å; L211-E215 WeakPolarHBondContact O-CG 3.23Å; L211-E215 PolarHBondContact O-N 3.37Å |
| 212 | A | 74.9 | Confident | 67.9 | Low | 50 Ų | 50 | 92.6 Ų | 92.6 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E208 D209 M210 L214 E215 D216 | E208-A212 PolarHBondContact O-N 2.84Å; D209-A212 PolarHBondContact O-N 3.32Å; M210-A212 VanDerWaalsContact C-N 3.27Å; M210-A212 PolarHBondContact O-N 2.99Å; A212-L214 VanDerWaalsContact C-N 3.29Å; A212-L214 PolarHBondContact O-N 3.3Å; A212-E215 PolarHBondContact O-N 3.42Å; A212-D216 PolarHBondContact O-N 3.38Å |
| 213 | E | 72.1 | Confident | 66.7 | Low | 113 Ų | 113 | 90.4 Ų | 90.4 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 173.9 | -73.2 | -176.8 | 176 | 0 | 0 | 112.1 | D209 M210 D216 L217 | D209-E213 PolarHBondContact O-N 3.24Å; D209-E213 VanDerWaalsContact O-N 3.07Å; M210-E213 PolarHBondContact O-N 3.35Å; E213-D216 PolarHBondContact O-N 3.07Å; E213-L217 WeakPolarHBondContact O-CG 3.49Å; E213-L217 PolarHBondContact O-N 3.25Å |
| 214 | L | 64.8 | Low | 65.6 | Low | 26 Ų | 26 | 92 Ų | 92 | 14% | 0.136 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 174.4 | -70.3 | -178 | 0 | 0 | 0 | 113.2 | M210 L211 A212 D216 L217 L218 L253 F257 | M210-L214 WeakPolarHBondContact O-CG 3.35Å; M210-L214 PolarHBondContact O-N 3.16Å; L211-L214 HydrophobicContact CD2-CD1 4.38Å; L211-L214 WeakPolarHBondContact O-CB 3.49Å; L211-L214 PolarHBondContact O-N 2.93Å; A212-L214 VanDerWaalsContact C-N 3.29Å; A212-L214 PolarHBondContact O-N 3.3Å; L214-D216 VanDerWaalsContact C-N 3.27Å; L214-D216 PolarHBondContact O-N 3.48Å; L214-L217 HydrophobicContact CD2-CD1 4.49Å; L214-L217 PolarHBondContact O-N 3.41Å; L214-L218 WeakPolarHBondContact O-CB 3.49Å; L214-L218 PolarHBondContact O-N 3.15Å; L214-L253 HydrophobicContact CD1-CD2 3.25Å; L214-L253 HydrophobicContact CD2-CD2 3.18Å; L214-L253 HydrophobicContact CD2-CG 3.8Å; L214-L253 HydrophobicContact CG-CD2 3.76Å; L214-F257 HydrophobicContact CD1-CD2 4.49Å; L214-F257 HydrophobicContact CD1-CE2 3.4Å; L214-F257 HydrophobicContact CD1-CZ 3.42Å; L214-F257 VanDerWaalsContact CD1-CZ 3.42Å; L214-F257 HydrophobicContact CD2-CE2 4.14Å; L214-F257 HydrophobicContact CG-CE2 3.92Å; L214-F257 HydrophobicContact CG-CZ 4.15Å |
| 215 | E | 72.2 | Confident | 64.2 | Low | 130 Ų | 130 | 94.4 Ų | 94.4 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 175 | -77.2 | -176.5 | 177.4 | 0 | 0 | 110.7 | L211 A212 L218 N219 | L211-E215 WeakPolarHBondContact O-CG 3.23Å; L211-E215 PolarHBondContact O-N 3.37Å; A212-E215 PolarHBondContact O-N 3.42Å; E215-L218 PolarHBondContact O-N 3.32Å; E215-N219 VanDerWaalsContact O-CB 3.24Å; E215-N219 WeakPolarHBondContact O-CB 2.8Å; E215-N219 PolarHBondContact O-N 3.46Å; E215-N219 PolarHBondContact O-ND2 2.9Å |
| 216 | D | 74.6 | Confident | 62.4 | Low | 112 Ų | 112 | 93.5 Ų | 93.5 | 60% | 0.599 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 175.1 | -80.2 | -12.5 | 0 | 0 | 0 | 112.6 | A212 E213 L214 N219 S220 | A212-D216 PolarHBondContact O-N 3.38Å; E213-D216 PolarHBondContact O-N 3.07Å; L214-D216 VanDerWaalsContact C-N 3.27Å; L214-D216 PolarHBondContact O-N 3.48Å; D216-N219 PolarHBondContact O-N 2.89Å; D216-S220 VanDerWaalsContact O-CB 3.28Å; D216-S220 WeakPolarHBondContact O-CB 3.25Å; D216-S220 PolarHBondContact O-N 2.79Å; D216-S220 PolarHBondContact O-OG 2.94Å |
| 217 | L | 64.2 | Low | 60.9 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 40% | 0.403 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 174.3 | -74.7 | 175.4 | 0 | 0 | 0 | 112.3 | E213 L214 S220 N221 | E213-L217 WeakPolarHBondContact O-CG 3.49Å; E213-L217 PolarHBondContact O-N 3.25Å; L214-L217 HydrophobicContact CD2-CD1 4.49Å; L214-L217 PolarHBondContact O-N 3.41Å; L217-S220 WeakPolarHBondContact CA-OG 3.41Å; L217-S220 PolarHBondContact O-OG 2.88Å; L217-N221 WeakPolarHBondContact O-CB 2.65Å; L217-N221 PolarHBondContact O-N 3.09Å; L217-N221 VanDerWaalsContact O-N 3.14Å; L217-N221 PolarHBondContact O-ND2 3.12Å |
| 218 | L | 62.6 | Low | 59.7 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 175.6 | -123.4 | 118.1 | 0 | 0 | 0 | 110.6 | L214 E215 S220 N221 F222 | L214-L218 WeakPolarHBondContact O-CB 3.49Å; L214-L218 PolarHBondContact O-N 3.15Å; E215-L218 PolarHBondContact O-N 3.32Å; L218-S220 VanDerWaalsContact C-N 3.33Å; L218-S220 PolarHBondContact O-N 3.11Å; L218-N221 PolarHBondContact O-N 2.71Å; L218-F222 HydrophobicContact CB-CD2 4.47Å; L218-F222 HydrophobicContact CD2-CD2 3.99Å; L218-F222 HydrophobicContact CD2-CE2 4.38Å; L218-F222 HydrophobicContact CG-CD2 3.88Å; L218-F222 HydrophobicContact CG-CE2 4.12Å; L218-F222 VanDerWaalsContact O-CB 3.28Å; L218-F222 WeakPolarHBondContact O-CB 3.23Å; L218-F222 VanDerWaalsContact O-CD2 3.3Å; L218-F222 WeakPolarHBondContact O-CD2 3.14Å; L218-F222 PolarHBondContact O-N 2.55Å |
| 219 | N | 66.1 | Low | 58 | Low | 97 Ų | 97 | 104 Ų | 104 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -32.3 | -178.6 | -72.1 | -32.6 | 0 | 0 | 0 | 112.7 | E215 D216 S223 | E215-N219 VanDerWaalsContact O-CB 3.24Å; E215-N219 WeakPolarHBondContact O-CB 2.8Å; E215-N219 PolarHBondContact O-N 3.46Å; E215-N219 PolarHBondContact O-ND2 2.9Å; D216-N219 PolarHBondContact O-N 2.89Å; N219-S223 WeakPolarHBondContact O-CB 2.99Å; N219-S223 PolarHBondContact O-N 2.57Å; N219-S223 PolarHBondContact O-OG 3.49Å |
| 220 | S | 64.9 | Low | 56.7 | Low | 83 Ų | 83 | 106.8 Ų | 106.8 | 58% | 0.58 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.6 | -35.3 | 175.6 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | D216 L217 L218 | D216-S220 VanDerWaalsContact O-CB 3.28Å; D216-S220 WeakPolarHBondContact O-CB 3.25Å; D216-S220 PolarHBondContact O-N 2.79Å; D216-S220 PolarHBondContact O-OG 2.94Å; L217-S220 WeakPolarHBondContact CA-OG 3.41Å; L217-S220 PolarHBondContact O-OG 2.88Å; L218-S220 VanDerWaalsContact C-N 3.33Å; L218-S220 PolarHBondContact O-N 3.11Å |
| 221 | N | 54.4 | Low | 55.9 | Low | 82 Ų | 82 | 114.2 Ų | 114.2 | 44% | 0.439 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -86.3 | -26.4 | 178.7 | -73.9 | -69.2 | 0 | 0 | 0 | 114 | L217 L218 S245 | L217-N221 WeakPolarHBondContact O-CB 2.65Å; L217-N221 PolarHBondContact O-N 3.09Å; L217-N221 VanDerWaalsContact O-N 3.14Å; L217-N221 PolarHBondContact O-ND2 3.12Å; L218-N221 PolarHBondContact O-N 2.71Å; N221-S245 PolarHBondContact OD1-OG 3.24Å |
| 222 | F | 54.8 | Low | 54.5 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 54% | 0.535 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -109.1 | 4.1 | -174.9 | -67.1 | -82.7 | 0 | 0 | 0 | 115 | L218 N224 Y246 | L218-F222 HydrophobicContact CB-CD2 4.47Å; L218-F222 HydrophobicContact CD2-CD2 3.99Å; L218-F222 HydrophobicContact CD2-CE2 4.38Å; L218-F222 HydrophobicContact CG-CD2 3.88Å; L218-F222 HydrophobicContact CG-CE2 4.12Å; L218-F222 VanDerWaalsContact O-CB 3.28Å; L218-F222 WeakPolarHBondContact O-CB 3.23Å; L218-F222 VanDerWaalsContact O-CD2 3.3Å; L218-F222 WeakPolarHBondContact O-CD2 3.14Å; L218-F222 PolarHBondContact O-N 2.55Å; F222-N224 PolarHBondContact O-N 3.06Å; F222-Y246 HydrophobicContact CZ-CD2 4.22Å |
| 223 | S | 49.1 | Very low | 53 | Low | 87 Ų | 87 | 118 Ų | 118 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -74.1 | 94.7 | 173 | -82.1 | 0 | 0 | 0 | 0 | 113.1 | N219 | N219-S223 WeakPolarHBondContact O-CB 2.99Å; N219-S223 PolarHBondContact O-N 2.57Å; N219-S223 PolarHBondContact O-OG 3.49Å |
| 224 | N | 40.6 | Very low | 51.3 | Low | 125 Ų | 125 | 119.8 Ų | 119.8 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | trans | 64.1 | 118.5 | 160.7 | -72.6 | -41.8 | 0 | 0 | 0 | 119.4 | F222 | F222-N224 PolarHBondContact O-N 3.06Š| ||
| 225 | P | 39.8 | Very low | 50.2 | Low | 136 Ų | 136 | 124.1 Ų | 124.1 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | -120 | 58.9 | 122.7 | 37.6 | -31.3 | 0 | 0 | 0 | 110.4 | K227 | P225-K227 PolarHBondContact O-N 2.64Š| |||
| 226 | V | 37.4 | Very low | 48.4 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -87.3 | 87.1 | 162.7 | -178 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 227 | K | 38 | Very low | 46.6 | Very low | 204 Ų | 204 | 126.5 Ų | 126.5 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -174 | 136.7 | 155.5 | -100.9 | 150.7 | -167.1 | -174.9 | 0 | 112.6 | P225 | P225-K227 PolarHBondContact O-N 2.64Š| ||
| 228 | A | 39.3 | Very low | 45.7 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | trans | 82.9 | 81.2 | 167 | 0 | 0 | 0 | 0 | 0 | 117.8 | N230 | A228-N230 PolarHBondContact O-N 2.99Š| ||
| 229 | R | 37.5 | Very low | 44.8 | Very low | 246 Ų | 246 | 135.3 Ų | 135.3 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | trans | -67.9 | 106.1 | 144.9 | -82.6 | -179.7 | 176.5 | 149.5 | -0.2 | 107.1 | ||||
| 230 | N | 47.5 | Very low | 43.9 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -94.6 | 111.5 | 162.5 | -68.6 | -17.6 | 0 | 0 | 0 | 107 | A228 D232 | A228-N230 PolarHBondContact O-N 2.99Å; N230-D232 PolarHBondContact O-N 2.94Å | ||
| 231 | E | 47.8 | Very low | 43 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -71.8 | 94.3 | 165.8 | -61.1 | 179.8 | 165.9 | 0 | 0 | 106.6 | ||||
| 232 | D | 41.4 | Very low | 42.8 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 167.6 | 135.6 | 151.3 | -90.6 | -27.5 | 0 | 0 | 0 | 111.6 | N230 | N230-D232 PolarHBondContact O-N 2.94Š|
| 233 | G | 44.2 | Very low | 42.7 | Very low | 60 Ų | 60 | 134 Ų | 134 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | trans | 49.6 | 103.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 234 | T | 35.3 | Very low | 43.2 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 93% | 0.926 | 75% | 0.747 | S | S | * | * | trans | 51.3 | 94.8 | 139.7 | 20.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 235 | S | 43.2 | Very low | 44.8 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -158.5 | 137.4 | 146.4 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | K | 34 | Very low | 46.7 | Very low | 212 Ų | 212 | 127.5 Ų | 127.5 | 92% | 0.922 | 71% | 0.706 | S | S | * | * | trans | -55.4 | 132.2 | 164.9 | -66.1 | 165 | 169.6 | 176.3 | 0 | 109.7 | ||||
| 237 | A | 36.6 | Very low | 48.8 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | trans | -169.1 | 123.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 238 | Q | 44.7 | Very low | 50.9 | Low | 177 Ų | 177 | 122.7 Ų | 122.7 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | trans | 49.3 | 90.8 | 137.7 | -71.8 | 161.9 | -98.3 | 0 | 0 | 118.6 | ||||
| 239 | E | 43.6 | Very low | 52.8 | Low | 183 Ų | 183 | 120.3 Ų | 120.3 | 86% | 0.855 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -108.6 | -0.5 | 167.9 | -151.5 | 168.5 | -171.2 | 0 | 0 | 113.9 | ||
| 240 | N | 48.9 | Very low | 55 | Low | 145 Ų | 145 | 111.6 Ų | 111.6 | 78% | 0.775 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -115.8 | 16.4 | -169.1 | -73 | -20.9 | 0 | 0 | 0 | 116.5 | ||
| 241 | A | 44.8 | Very low | 56.7 | Low | 74 Ų | 74 | 110.4 Ų | 110.4 | 61% | 0.612 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -95.6 | -12.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 242 | G | 49.9 | Very low | 58.2 | Low | 56 Ų | 56 | 104.6 Ų | 104.6 | 58% | 0.577 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -93.6 | -21.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 243 | V | 54 | Low | 60.1 | Low | 82 Ų | 82 | 99.1 Ų | 99.1 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -76.9 | -34.1 | -173.2 | -177 | 0 | 0 | 0 | 0 | 112 | S245 Y246 E247 | V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 2.74Å; V243-Y246 PolarHBondContact O-N 3.45Å; V243-E247 PolarHBondContact O-N 3.14Å |
| 244 | S | 58.4 | Low | 61.8 | Low | 59 Ų | 59 | 101.4 Ų | 101.4 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -37.5 | 178.7 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | Y246 E248 | S244-Y246 PolarHBondContact O-N 2.89Å; S244-E248 WeakPolarHBondContact O-CB 3.21Å; S244-E248 VanDerWaalsContact O-CD 3.26Å; S244-E248 WeakPolarHBondContact O-CG 3.32Å; S244-E248 PolarHBondContact O-N 3.4Å |
| 245 | S | 75.5 | Confident | 63.9 | Low | 26 Ų | 26 | 101.2 Ų | 101.2 | 18% | 0.182 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | N221 V243 A249 | N221-S245 PolarHBondContact OD1-OG 3.24Å; V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 2.74Å; S245-A249 VanDerWaalsContact O-CB 3.25Å; S245-A249 WeakPolarHBondContact O-CB 3.4Å; S245-A249 PolarHBondContact O-N 3.15Å |
| 246 | Y | 79 | Confident | 65.4 | Low | 126 Ų | 126 | 98.4 Ų | 98.4 | 49% | 0.494 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72 | -46.1 | 178.6 | 179.7 | -106.7 | 0 | 0 | 0 | 112.7 | F222 V243 S244 E248 A249 L250 | F222-Y246 HydrophobicContact CZ-CD2 4.22Å; V243-Y246 PolarHBondContact O-N 3.45Å; S244-Y246 PolarHBondContact O-N 2.89Å; Y246-E248 VanDerWaalsContact C-N 3.32Å; Y246-E248 PolarHBondContact O-N 2.77Å; Y246-A249 PolarHBondContact O-N 3.29Å; Y246-L250 HydrophobicContact CD1-CD1 3.94Å; Y246-L250 HydrophobicContact CD1-CG 4.45Å; Y246-L250 HydrophobicContact CE1-CD1 3.31Å; Y246-L250 HydrophobicContact CE1-CG 4.03Å; Y246-L250 HydrophobicContact CE2-CD1 4.37Å; Y246-L250 HydrophobicContact CE2-CG 4.25Å; Y246-L250 PolarHBondContact O-N 3.49Å |
| 247 | E | 80.9 | Confident | 67.1 | Low | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.3 | -36.3 | 176.1 | -69.1 | -174.5 | 175.3 | 0 | 0 | 111.8 | V243 L250 R251 | V243-E247 PolarHBondContact O-N 3.14Å; E247-L250 PolarHBondContact O-N 3.08Å; E247-R251 WeakPolarHBondContact O-CB 3.45Å; E247-R251 PolarHBondContact O-N 2.72Å |
| 248 | E | 81.7 | Confident | 68.5 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 172 | -79.3 | 164 | -165 | 0 | 0 | 112.2 | S244 Y246 R251 T252 | S244-E248 WeakPolarHBondContact O-CB 3.21Å; S244-E248 VanDerWaalsContact O-CD 3.26Å; S244-E248 WeakPolarHBondContact O-CG 3.32Å; S244-E248 PolarHBondContact O-N 3.4Å; Y246-E248 VanDerWaalsContact C-N 3.32Å; Y246-E248 PolarHBondContact O-N 2.77Å; E248-R251 PolarHBondContact O-N 2.9Å; E248-T252 WeakPolarHBondContact O-CB 3.21Å; E248-T252 PolarHBondContact O-N 3.35Å; E248-T252 PolarHBondContact O-OG1 3.01Å |
| 249 | A | 79.6 | Confident | 69.5 | Low | 29 Ų | 29 | 95.5 Ų | 95.5 | 24% | 0.24 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S245 Y246 T252 L253 | S245-A249 VanDerWaalsContact O-CB 3.25Å; S245-A249 WeakPolarHBondContact O-CB 3.4Å; S245-A249 PolarHBondContact O-N 3.15Å; Y246-A249 PolarHBondContact O-N 3.29Å; A249-T252 PolarHBondContact O-N 3.5Å; A249-L253 VanDerWaalsContact O-CB 3.31Å; A249-L253 WeakPolarHBondContact O-CB 3.36Å; A249-L253 WeakPolarHBondContact O-CD1 3.09Å; A249-L253 VanDerWaalsContact O-CG 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.5Å; A249-L253 PolarHBondContact O-N 2.98Å |
| 250 | L | 83.7 | Confident | 70.7 | Confident | 63 Ų | 63 | 92.2 Ų | 92.2 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175 | -78.3 | -179.4 | 0 | 0 | 0 | 112.3 | Y246 E247 T252 L253 E254 | Y246-L250 HydrophobicContact CD1-CD1 3.94Å; Y246-L250 HydrophobicContact CD1-CG 4.45Å; Y246-L250 HydrophobicContact CE1-CD1 3.31Å; Y246-L250 HydrophobicContact CE1-CG 4.03Å; Y246-L250 HydrophobicContact CE2-CD1 4.37Å; Y246-L250 HydrophobicContact CE2-CG 4.25Å; Y246-L250 PolarHBondContact O-N 3.49Å; E247-L250 PolarHBondContact O-N 3.08Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.13Å; L250-L253 HydrophobicContact CD2-CD1 4.38Å; L250-L253 WeakPolarHBondContact O-CB 3.35Å; L250-L253 PolarHBondContact O-N 3.33Å; L250-E254 WeakPolarHBondContact O-CB 3.37Å; L250-E254 WeakPolarHBondContact O-CG 3.06Å; L250-E254 PolarHBondContact O-N 3.34Å |
| 251 | R | 82.9 | Confident | 71.8 | Confident | 120 Ų | 120 | 89.5 Ų | 89.5 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.1 | -179.7 | 174.1 | 54.2 | -118.5 | -3.4 | 111.9 | E247 E248 L253 E254 E255 | E247-R251 WeakPolarHBondContact O-CB 3.45Å; E247-R251 PolarHBondContact O-N 2.72Å; E248-R251 PolarHBondContact O-N 2.9Å; R251-L253 VanDerWaalsContact C-N 3.34Å; R251-E254 PolarHBondContact O-N 3.49Å; R251-E255 WeakPolarHBondContact O-CB 3.35Å; R251-E255 WeakPolarHBondContact O-CG 3.25Å; R251-E255 PolarHBondContact O-N 3.06Å |
| 252 | T | 79.9 | Confident | 73.8 | Confident | 56 Ų | 56 | 87.9 Ų | 87.9 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176 | -53.4 | 0 | 0 | 0 | 0 | 110.5 | E248 A249 L250 E255 M256 | E248-T252 WeakPolarHBondContact O-CB 3.21Å; E248-T252 PolarHBondContact O-N 3.35Å; E248-T252 PolarHBondContact O-OG1 3.01Å; A249-T252 PolarHBondContact O-N 3.5Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.13Å; T252-E255 PolarHBondContact O-N 3.04Å; T252-M256 HydrophobicContact CG2-CG 4.4Å; T252-M256 HydrophobicContact CG2-SD 3.88Å; T252-M256 VanDerWaalsContact O-CB 3.31Å; T252-M256 WeakPolarHBondContact O-CB 3.35Å; T252-M256 WeakPolarHBondContact O-CG 3.24Å; T252-M256 PolarHBondContact O-N 3.37Å |
| 253 | L | 80.7 | Confident | 75.7 | Confident | 48 Ų | 48 | 86.8 Ų | 86.8 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 172.2 | -82.8 | 161.4 | 0 | 0 | 0 | 111.7 | L214 A249 L250 R251 M256 F257 | L214-L253 HydrophobicContact CD1-CD2 3.25Å; L214-L253 HydrophobicContact CD2-CD2 3.18Å; L214-L253 HydrophobicContact CD2-CG 3.8Å; L214-L253 HydrophobicContact CG-CD2 3.76Å; A249-L253 VanDerWaalsContact O-CB 3.31Å; A249-L253 WeakPolarHBondContact O-CB 3.36Å; A249-L253 WeakPolarHBondContact O-CD1 3.09Å; A249-L253 VanDerWaalsContact O-CG 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.5Å; A249-L253 PolarHBondContact O-N 2.98Å; L250-L253 HydrophobicContact CD2-CD1 4.38Å; L250-L253 WeakPolarHBondContact O-CB 3.35Å; L250-L253 PolarHBondContact O-N 3.33Å; R251-L253 VanDerWaalsContact C-N 3.34Å; L253-M256 PolarHBondContact O-N 2.84Å; L253-F257 HydrophobicContact CD2-CD2 4.06Å; L253-F257 HydrophobicContact CD2-CE2 3.91Å; L253-F257 WeakPolarHBondContact O-CB 3.43Å; L253-F257 VanDerWaalsContact O-CD2 3.23Å; L253-F257 WeakPolarHBondContact O-CD2 3.4Å; L253-F257 PolarHBondContact O-N 2.82Å |
| 254 | E | 81.4 | Confident | 77.5 | Confident | 108 Ų | 108 | 82.9 Ų | 82.9 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 177 | -75.1 | 171.6 | -178 | 0 | 0 | 110.7 | L250 R251 M256 F257 E258 | L250-E254 WeakPolarHBondContact O-CB 3.37Å; L250-E254 WeakPolarHBondContact O-CG 3.06Å; L250-E254 PolarHBondContact O-N 3.34Å; R251-E254 PolarHBondContact O-N 3.49Å; E254-M256 VanDerWaalsContact C-N 3.32Å; E254-M256 PolarHBondContact O-N 2.79Å; E254-F257 PolarHBondContact O-N 2.76Å; E254-E258 WeakPolarHBondContact O-CA 3.27Å; E254-E258 WeakPolarHBondContact O-CB 3.38Å; E254-E258 WeakPolarHBondContact O-CG 3.47Å; E254-E258 PolarHBondContact O-N 3.05Å |
| 255 | E | 79.2 | Confident | 79.2 | Confident | 147 Ų | 147 | 83.8 Ų | 83.8 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.7 | -33.6 | 178 | -73.6 | 176.6 | -167.2 | 0 | 0 | 113.6 | R251 T252 | R251-E255 WeakPolarHBondContact O-CB 3.35Å; R251-E255 WeakPolarHBondContact O-CG 3.25Å; R251-E255 PolarHBondContact O-N 3.06Å; T252-E255 PolarHBondContact O-N 3.04Å |
| 256 | M | 75 | Confident | 80 | Confident | 60 Ų | 60 | 82.7 Ų | 82.7 | 30% | 0.296 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.6 | -39.1 | 178.2 | -73.8 | 176.8 | 75.5 | 0 | 0 | 112.7 | M210 T252 L253 E254 | M210-M256 HydrophobicContact CG-CE 4.36Å; M210-M256 HydrophobicContact SD-CE 4.46Å; T252-M256 HydrophobicContact CG2-CG 4.4Å; T252-M256 HydrophobicContact CG2-SD 3.88Å; T252-M256 VanDerWaalsContact O-CB 3.31Å; T252-M256 WeakPolarHBondContact O-CB 3.35Å; T252-M256 WeakPolarHBondContact O-CG 3.24Å; T252-M256 PolarHBondContact O-N 3.37Å; L253-M256 PolarHBondContact O-N 2.84Å; E254-M256 VanDerWaalsContact C-N 3.32Å; E254-M256 PolarHBondContact O-N 2.79Å |
| 257 | F | 68.4 | Low | 80.7 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 37% | 0.373 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -101.6 | -25.6 | -171.2 | -72 | -93.5 | 0 | 0 | 0 | 113.7 | M210 L214 L253 E254 R259 | M210-F257 HydrophobicContact CB-CZ 3.98Å; M210-F257 HydrophobicContact CE-CD1 4.02Å; M210-F257 HydrophobicContact CE-CE1 3.58Å; M210-F257 HydrophobicContact CE-CZ 3.9Å; M210-F257 HydrophobicContact SD-CZ 4.46Å; L214-F257 HydrophobicContact CD1-CD2 4.49Å; L214-F257 HydrophobicContact CD1-CE2 3.4Å; L214-F257 HydrophobicContact CD1-CZ 3.42Å; L214-F257 VanDerWaalsContact CD1-CZ 3.42Å; L214-F257 HydrophobicContact CD2-CE2 4.14Å; L214-F257 HydrophobicContact CG-CE2 3.92Å; L214-F257 HydrophobicContact CG-CZ 4.15Å; L253-F257 HydrophobicContact CD2-CD2 4.06Å; L253-F257 HydrophobicContact CD2-CE2 3.91Å; L253-F257 WeakPolarHBondContact O-CB 3.43Å; L253-F257 VanDerWaalsContact O-CD2 3.23Å; L253-F257 WeakPolarHBondContact O-CD2 3.4Å; L253-F257 PolarHBondContact O-N 2.82Å; E254-F257 PolarHBondContact O-N 2.76Å; F257-R259 PolarHBondContact O-N 3.32Å |
| 258 | E | 66.9 | Low | 81.4 | Confident | 136 Ų | 136 | 74.5 Ų | 74.5 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -77.7 | 90.4 | 169.5 | -62.9 | -165.9 | 161.6 | 0 | 0 | 109.3 | E254 P260 | E254-E258 WeakPolarHBondContact O-CA 3.27Å; E254-E258 WeakPolarHBondContact O-CB 3.38Å; E254-E258 WeakPolarHBondContact O-CG 3.47Å; E254-E258 PolarHBondContact O-N 3.05Å; E258-P260 VanDerWaalsContact O-CD 3.3Å; E258-P260 WeakPolarHBondContact O-CD 3.23Å; E258-P260 VanDerWaalsContact O-N 3.1Å |
| 259 | R | 66 | Low | 82 | Confident | 185 Ų | 185 | 74.4 Ų | 74.4 | 70% | 0.698 | 36% | 0.356 | S | S | * | . | trans | -56.5 | 119.8 | 168.6 | -178.3 | 176.7 | -66.3 | -131.7 | -2.9 | 108 | F257 V261 | F257-R259 PolarHBondContact O-N 3.32Å; R259-V261 PolarHBondContact O-N 2.92Å | ||
| 260 | P | 68.6 | Low | 82.8 | Confident | 115 Ų | 115 | 75 Ų | 75 | 75% | 0.747 | 36% | 0.356 | S | S | * | . | trans | -56.3 | 120.3 | 179.1 | 18.9 | -29.5 | 0 | 0 | 0 | 108.7 | E258 N262 | E258-P260 VanDerWaalsContact O-CD 3.3Å; E258-P260 WeakPolarHBondContact O-CD 3.23Å; E258-P260 VanDerWaalsContact O-N 3.1Å; P260-N262 PolarHBondContact O-N 3.43Å; P260-N262 VanDerWaalsContact O-N 3.15Å | ||
| 261 | V | 72.4 | Confident | 83.2 | Confident | 88 Ų | 88 | 75.4 Ų | 75.4 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | trans | -69.7 | 114.6 | -174 | -179.9 | 0 | 0 | 0 | 0 | 108 | R259 E263 E294 | R259-V261 PolarHBondContact O-N 2.92Å; V261-E263 PolarHBondContact O-N 2.9Å; V261-E294 WeakPolarHBondContact CG1-O 3.37Å | ||
| 262 | N | 86.5 | Confident | 83.8 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | trans | -72.7 | 96 | 169.8 | -174.7 | -20.1 | 0 | 0 | 0 | 108.5 | P260 V264 H265 A266 L328 S330 | P260-N262 PolarHBondContact O-N 3.43Å; P260-N262 VanDerWaalsContact O-N 3.15Å; N262-V264 PolarHBondContact O-N 3Å; N262-V264 WeakPolarHBondContact OD1-CB 3.23Å; N262-V264 PolarHBondContact OD1-N 3.15Å; N262-V264 VanDerWaalsContact OD1-N 3.14Å; N262-H265 HydrophobicContact CB-CB 3.85Å; N262-H265 WeakPolarHBondContact O-CB 3.42Å; N262-H265 PolarHBondContact O-N 2.9Å; N262-H265 PolarHBondContact OD1-N 3.33Å; N262-H265 VanDerWaalsContact OD1-N 3.16Å; N262-A266 PolarHBondContact O-N 3.36Å; N262-L328 PolarHBondContact ND2-O 2.93Å; N262-S330 PolarHBondContact ND2-O 2.65Å | ||
| 263 | E | 89.5 | Confident | 84.5 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 15% | 0.15 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.7 | -39.4 | -178.4 | -63 | -176.8 | 173.4 | 0 | 0 | 111.5 | V261 H265 A266 R267 N296 K298 | V261-E263 PolarHBondContact O-N 2.9Å; E263-H265 VanDerWaalsContact C-N 3.34Å; E263-H265 PolarHBondContact O-N 3.16Å; E263-A266 PolarHBondContact O-N 3.14Å; E263-R267 WeakPolarHBondContact O-CB 3.32Å; E263-R267 VanDerWaalsContact O-CG 3.27Å; E263-R267 WeakPolarHBondContact O-CG 3.11Å; E263-R267 PolarHBondContact O-N 2.92Å; E263-N296 HydrophobicContact CG-CB 4.17Å; E263-N296 PolarHBondContact OE1-ND2 2.85Å; E263-K298 IonicContact OE1-NZ 3.93Å; E263-K298 PolarHBondContact OE1-NZ 3.47Å; E263-K298 VanDerWaalsContact OE1-NZ 3.12Å |
| 264 | V | 92.4 | Very high | 85.3 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | N262 Y268 V315 L328 L338 | N262-V264 PolarHBondContact O-N 3Å; N262-V264 WeakPolarHBondContact OD1-CB 3.23Å; N262-V264 PolarHBondContact OD1-N 3.15Å; N262-V264 VanDerWaalsContact OD1-N 3.14Å; V264-Y268 VanDerWaalsContact O-CB 3.23Å; V264-Y268 WeakPolarHBondContact O-CB 3.38Å; V264-Y268 PolarHBondContact O-N 3.28Å; V264-V315 HydrophobicContact CG1-CG1 4.33Å; V264-V315 HydrophobicContact CG1-CG2 3.9Å; V264-L328 HydrophobicContact CG1-CD2 4.46Å; V264-L338 HydrophobicContact CG1-CD1 4.37Å; V264-L338 HydrophobicContact CG2-CD1 4.07Å |
| 265 | H | 93.2 | Very high | 86 | Confident | 78 Ų | 78 | 77.3 Ų | 77.3 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 176.9 | 178.3 | -109.2 | 0 | 0 | 0 | 112.4 | N262 E263 Y268 R269 L328 | N262-H265 HydrophobicContact CB-CB 3.85Å; N262-H265 WeakPolarHBondContact O-CB 3.42Å; N262-H265 PolarHBondContact O-N 2.9Å; N262-H265 PolarHBondContact OD1-N 3.33Å; N262-H265 VanDerWaalsContact OD1-N 3.16Å; E263-H265 VanDerWaalsContact C-N 3.34Å; E263-H265 PolarHBondContact O-N 3.16Å; H265-Y268 PolarHBondContact O-N 2.9Å; H265-R269 WeakPolarHBondContact O-CG 3.39Å; H265-R269 PolarHBondContact O-N 3.01Å; H265-L328 HydrophobicContact CB-CD2 4.31Å |
| 266 | A | 92.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N262 E263 R269 L270 E294 | N262-A266 PolarHBondContact O-N 3.36Å; E263-A266 PolarHBondContact O-N 3.14Å; A266-R269 WeakPolarHBondContact O-CB 3.42Å; A266-R269 PolarHBondContact O-N 3.48Å; A266-L270 PolarHBondContact O-N 3.37Å; A266-E294 HydrophobicContact CB-CB 3.96Å; A266-E294 VanDerWaalsContact CB-O 3.25Å; A266-E294 WeakPolarHBondContact CB-O 3.41Å |
| 267 | R | 93.9 | Very high | 87.8 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.4 | -69.7 | -172.3 | -173.1 | -164 | 3.1 | 112.5 | E263 R269 L270 A271 C295 E308 D312 | E263-R267 WeakPolarHBondContact O-CB 3.32Å; E263-R267 VanDerWaalsContact O-CG 3.27Å; E263-R267 WeakPolarHBondContact O-CG 3.11Å; E263-R267 PolarHBondContact O-N 2.92Å; R267-R269 PolarHBondContact O-N 3.47Å; R267-L270 PolarHBondContact O-N 2.86Å; R267-A271 WeakPolarHBondContact O-CB 3.18Å; R267-A271 PolarHBondContact O-N 3.07Å; R267-C295 HydrophobicContact CG-CB 4.03Å; R267-E308 IonicContact CZ-OE2 2.71Å; R267-E308 IonicContact NH1-OE2 2.71Å; R267-E308 PolarHBondContact NH1-OE2 3.25Å; R267-E308 IonicContact NH2-OE2 2.75Å; R267-E308 PolarHBondContact NH2-OE2 3.24Å; R267-D312 WeakPolarHBondContact CD-OD2 3.46Å; R267-D312 IonicContact CZ-OD2 2.82Å; R267-D312 IonicContact NE-OD2 3.94Å; R267-D312 IonicContact NH1-OD2 3.03Å; R267-D312 PolarHBondContact NH1-OD2 3.47Å; R267-D312 VanDerWaalsContact NH1-OD2 3.08Å |
| 268 | Y | 94.8 | Very high | 89 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 19% | 0.192 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 172.8 | 172.9 | -97.1 | 0 | 0 | 0 | 111.8 | V264 H265 L270 A271 T272 V315 R324 L328 | V264-Y268 VanDerWaalsContact O-CB 3.23Å; V264-Y268 WeakPolarHBondContact O-CB 3.38Å; V264-Y268 PolarHBondContact O-N 3.28Å; H265-Y268 PolarHBondContact O-N 2.9Å; Y268-L270 VanDerWaalsContact C-N 3.34Å; Y268-L270 PolarHBondContact O-N 3.48Å; Y268-A271 PolarHBondContact O-N 2.95Å; Y268-T272 HydrophobicContact CD2-CG2 3.77Å; Y268-T272 HydrophobicContact CE1-CG2 4.27Å; Y268-T272 HydrophobicContact CE2-CG2 3.36Å; Y268-T272 HydrophobicContact CG-CG2 4.38Å; Y268-T272 WeakPolarHBondContact O-CB 3.44Å; Y268-T272 WeakPolarHBondContact O-CG2 3.25Å; Y268-T272 PolarHBondContact O-N 2.81Å; Y268-T272 PolarHBondContact O-OG1 3.28Å; Y268-V315 HydrophobicContact CD2-CG1 4.05Å; Y268-R324 HydrophobicContact CE2-CG 4.4Å; Y268-R324 PolarHBondContact OH-NE 2.96Å; Y268-L328 HydrophobicContact CD1-CD1 3.64Å; Y268-L328 HydrophobicContact CD1-CD2 3.89Å; Y268-L328 HydrophobicContact CD1-CG 4.46Å; Y268-L328 HydrophobicContact CD2-CD2 4.41Å; Y268-L328 HydrophobicContact CE1-CD1 3.71Å; Y268-L328 HydrophobicContact CG-CD1 4.1Å; Y268-L328 HydrophobicContact CG-CD2 3.71Å |
| 269 | R | 94.6 | Very high | 90.4 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 175.8 | -73.1 | 178.7 | 69.6 | -152.4 | 2.5 | 111.6 | H265 A266 R267 R273 L291 E294 | H265-R269 WeakPolarHBondContact O-CG 3.39Å; H265-R269 PolarHBondContact O-N 3.01Å; A266-R269 WeakPolarHBondContact O-CB 3.42Å; A266-R269 PolarHBondContact O-N 3.48Å; R267-R269 PolarHBondContact O-N 3.47Å; R269-R273 WeakPolarHBondContact O-CB 3.24Å; R269-R273 PolarHBondContact O-N 2.68Å; R269-R273 VanDerWaalsContact O-N 3.14Å; R269-L291 HydrophobicContact CB-CD2 4.32Å; R269-L291 VanDerWaalsContact CZ-CD2 3.47Å; R269-E294 IonicContact CZ-OE2 3.71Å; R269-E294 VanDerWaalsContact NH1-CD 3.28Å; R269-E294 IonicContact NH1-OE1 2.76Å; R269-E294 PolarHBondContact NH1-OE1 3.25Å; R269-E294 IonicContact NH1-OE2 3.69Å; R269-E294 PolarHBondContact NH1-OE2 3.35Å |
| 270 | L | 95.4 | Very high | 91.9 | Very high | 43 Ų | 43 | 66.8 Ų | 66.8 | 23% | 0.225 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.1 | -50 | 176.7 | -179.6 | 65.9 | 0 | 0 | 0 | 111.3 | A266 R267 Y268 T272 R273 L288 L291 F297 | A266-L270 PolarHBondContact O-N 3.37Å; R267-L270 PolarHBondContact O-N 2.86Å; Y268-L270 VanDerWaalsContact C-N 3.34Å; Y268-L270 PolarHBondContact O-N 3.48Å; L270-T272 PolarHBondContact O-N 3.23Å; L270-R273 PolarHBondContact O-N 2.95Å; L270-L288 HydrophobicContact CD1-CB 4.32Å; L270-L288 HydrophobicContact CD1-CD2 4Å; L270-L288 WeakPolarHBondContact CD1-O 3.39Å; L270-L291 HydrophobicContact CB-CB 4.39Å; L270-L291 HydrophobicContact CD1-CB 3.97Å; L270-F297 HydrophobicContact CD2-CZ 4.17Å |
| 271 | A | 93.8 | Very high | 93.2 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.4 | -32.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R267 Y268 | R267-A271 WeakPolarHBondContact O-CB 3.18Å; R267-A271 PolarHBondContact O-N 3.07Å; Y268-A271 PolarHBondContact O-N 2.95Å |
| 272 | T | 94.2 | Very high | 94.4 | Very high | 53 Ų | 53 | 70 Ų | 70 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -93.9 | -6.1 | -178.2 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | Y268 L270 K274 | Y268-T272 HydrophobicContact CD2-CG2 3.77Å; Y268-T272 HydrophobicContact CE1-CG2 4.27Å; Y268-T272 HydrophobicContact CE2-CG2 3.36Å; Y268-T272 HydrophobicContact CG-CG2 4.38Å; Y268-T272 WeakPolarHBondContact O-CB 3.44Å; Y268-T272 WeakPolarHBondContact O-CG2 3.25Å; Y268-T272 PolarHBondContact O-N 2.81Å; Y268-T272 PolarHBondContact O-OG1 3.28Å; L270-T272 PolarHBondContact O-N 3.23Å; T272-K274 PolarHBondContact O-N 3.47Å; T272-K274 VanDerWaalsContact O-N 3.16Å |
| 273 | R | 95.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 71.2 Ų | 71.2 | 21% | 0.211 | 39% | 0.394 | C | S | . | . | trans | -65.2 | 116.6 | 176.3 | -178.2 | 50.6 | 166.1 | 88.1 | 6.5 | 109.5 | R269 L270 E279 Y284 L288 L291 | R269-R273 WeakPolarHBondContact O-CB 3.24Å; R269-R273 PolarHBondContact O-N 2.68Å; R269-R273 VanDerWaalsContact O-N 3.14Å; L270-R273 PolarHBondContact O-N 2.95Å; R273-E279 IonicContact CZ-OE1 3.08Å; R273-E279 IonicContact CZ-OE2 3.95Å; R273-E279 IonicContact NH1-OE1 3.19Å; R273-E279 IonicContact NH1-OE2 2.72Å; R273-E279 PolarHBondContact NH1-OE2 2.92Å; R273-E279 IonicContact NH2-OE1 3Å; R273-E279 PolarHBondContact NH2-OE1 3.39Å; R273-E279 IonicContact NH2-OE2 3.12Å; R273-E279 PolarHBondContact NH2-OE2 3.45Å; R273-Y284 HydrophobicContact CG-CE2 4.05Å; R273-Y284 PolarHBondContact O-OH 3.46Å; R273-L288 HydrophobicContact CB-CD2 3.93Å; R273-L288 HydrophobicContact CG-CD2 3.87Å; R273-L291 HydrophobicContact CB-CD1 3.87Å; R273-L291 HydrophobicContact CG-CD1 3.86Å | ||
| 274 | K | 96 | Very high | 95.3 | Very high | 167 Ų | 167 | 72 Ų | 72 | 73% | 0.726 | 40% | 0.396 | S | S | * | . | trans | -107.6 | 144.4 | 173.7 | -64.5 | -178.2 | 179.6 | -178 | 0 | 110 | T272 L276 | T272-K274 PolarHBondContact O-N 3.47Å; T272-K274 VanDerWaalsContact O-N 3.16Å; K274-L276 PolarHBondContact O-N 3.14Å | ||
| 275 | Q | 97.2 | Very high | 95.5 | Very high | 95 Ų | 95 | 74.9 Ų | 74.9 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 132 | 175.6 | -172.9 | 177 | 10.5 | 0 | 0 | 110.8 | E279 Y284 | Q275-E279 HydrophobicContact CG-CB 4.2Å; Q275-E279 HydrophobicContact CG-CG 4.49Å; Q275-E279 PolarHBondContact NE2-O 2.91Å; Q275-Y284 HydrophobicContact CB-CD1 4.19Å; Q275-Y284 HydrophobicContact CB-CD2 3.87Å; Q275-Y284 HydrophobicContact CB-CE1 4.29Å; Q275-Y284 HydrophobicContact CB-CE2 3.97Å; Q275-Y284 HydrophobicContact CB-CG 3.97Å; Q275-Y284 HydrophobicContact CG-CD1 4.46Å; Q275-Y284 HydrophobicContact CG-CD2 4.24Å; Q275-Y284 HydrophobicContact CG-CG 4.04Å; Q275-Y284 VanDerWaalsContact N-CE2 3.26Å |
| 276 | L | 95.4 | Very high | 95.7 | Very high | 112 Ų | 112 | 78 Ų | 78 | 59% | 0.586 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -78 | 154.9 | 179.1 | -60.5 | 174.2 | 0 | 0 | 0 | 110.9 | K274 G278 E279 | K274-L276 PolarHBondContact O-N 3.14Å; L276-G278 PolarHBondContact O-N 3.45Å; L276-G278 VanDerWaalsContact O-N 3.15Å; L276-E279 HydrophobicContact CB-CB 3.98Å; L276-E279 PolarHBondContact N-OE2 3.34Å; L276-E279 WeakPolarHBondContact O-CB 3.43Å; L276-E279 PolarHBondContact O-N 3.16Å; L276-E279 VanDerWaalsContact O-N 3.1Å |
| 277 | A | 95.5 | Very high | 95.8 | Very high | 112 Ų | 112 | 79.2 Ų | 79.2 | 93% | 0.926 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 117.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 278 | G | 95.5 | Very high | 96 | Very high | 87 Ų | 87 | 80.1 Ų | 80.1 | 90% | 0.897 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -1.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L276 | L276-G278 PolarHBondContact O-N 3.45Å; L276-G278 VanDerWaalsContact O-N 3.15Å |
| 279 | E | 95.9 | Very high | 96 | Very high | 34 Ų | 34 | 84.6 Ų | 84.6 | 16% | 0.159 | 46% | 0.459 | C | S | . | . | trans | -72.4 | 130.2 | 173 | -179.6 | 174.1 | -143.6 | 0 | 0 | 110.3 | R273 Q275 L276 D283 | R273-E279 IonicContact CZ-OE1 3.08Å; R273-E279 IonicContact CZ-OE2 3.95Å; R273-E279 IonicContact NH1-OE1 3.19Å; R273-E279 IonicContact NH1-OE2 2.72Å; R273-E279 PolarHBondContact NH1-OE2 2.92Å; R273-E279 IonicContact NH2-OE1 3Å; R273-E279 PolarHBondContact NH2-OE1 3.39Å; R273-E279 IonicContact NH2-OE2 3.12Å; R273-E279 PolarHBondContact NH2-OE2 3.45Å; Q275-E279 HydrophobicContact CG-CB 4.2Å; Q275-E279 HydrophobicContact CG-CG 4.49Å; Q275-E279 PolarHBondContact NE2-O 2.91Å; L276-E279 HydrophobicContact CB-CB 3.98Å; L276-E279 PolarHBondContact N-OE2 3.34Å; L276-E279 WeakPolarHBondContact O-CB 3.43Å; L276-E279 PolarHBondContact O-N 3.16Å; L276-E279 VanDerWaalsContact O-N 3.1Å; E279-D283 HydrophobicContact CG-CB 3.93Å | ||
| 280 | S | 96.9 | Very high | 96 | Very high | 48 Ų | 48 | 83 Ų | 83 | 34% | 0.336 | 47% | 0.466 | S | S | . | . | trans | -68.3 | 154.6 | 175.5 | 81.3 | 0 | 0 | 0 | 0 | 110.7 | E282 D283 Y284 | S280-E282 PolarHBondContact O-N 2.93Å; S280-D283 WeakPolarHBondContact CB-OD2 3.37Å; S280-D283 PolarHBondContact O-N 2.97Å; S280-D283 WeakPolarHBondContact OG-CB 3.39Å; S280-D283 PolarHBondContact OG-N 3.15Å; S280-D283 VanDerWaalsContact OG-N 3.16Å; S280-D283 PolarHBondContact OG-OD2 2.94Å; S280-Y284 PolarHBondContact O-N 3.21Å | ||
| 281 | L | 96.7 | Very high | 96 | Very high | 121 Ų | 121 | 81.9 Ų | 81.9 | 63% | 0.634 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.1 | -37.8 | 177.9 | -177.6 | 64.5 | 0 | 0 | 0 | 111.9 | Y284 V285 | L281-Y284 PolarHBondContact O-N 3.12Å; L281-V285 WeakPolarHBondContact O-CG2 3.42Å; L281-V285 PolarHBondContact O-N 3.43Å |
| 282 | E | 97 | Very high | 95.9 | Very high | 148 Ų | 148 | 80.2 Ų | 80.2 | 69% | 0.692 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 178.8 | -63.5 | -176.9 | 179.9 | 0 | 0 | 112 | S280 V285 R286 | S280-E282 PolarHBondContact O-N 2.93Å; E282-V285 PolarHBondContact O-N 3.12Å; E282-R286 WeakPolarHBondContact O-CB 3.36Å; E282-R286 PolarHBondContact O-N 2.67Å |
| 283 | D | 96.7 | Very high | 95.8 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.4 | -62.4 | -36.1 | 0 | 0 | 0 | 111.1 | E279 S280 R286 A287 | E279-D283 HydrophobicContact CG-CB 3.93Å; S280-D283 WeakPolarHBondContact CB-OD2 3.37Å; S280-D283 PolarHBondContact O-N 2.97Å; S280-D283 WeakPolarHBondContact OG-CB 3.39Å; S280-D283 PolarHBondContact OG-N 3.15Å; S280-D283 VanDerWaalsContact OG-N 3.16Å; S280-D283 PolarHBondContact OG-OD2 2.94Å; D283-R286 WeakPolarHBondContact O-CB 3.47Å; D283-R286 PolarHBondContact O-N 3.31Å; D283-R286 IonicContact OD1-CZ 3.68Å; D283-R286 IonicContact OD1-NH1 3.5Å; D283-R286 PolarHBondContact OD1-NH1 2.88Å; D283-R286 IonicContact OD1-NH2 3.75Å; D283-A287 WeakPolarHBondContact O-CB 3.36Å; D283-A287 PolarHBondContact O-N 3.46Å |
| 284 | Y | 97.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 82.9 Ų | 82.9 | 18% | 0.184 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 176.4 | -179.1 | -122.8 | 0 | 0 | 0 | 111.9 | R273 Q275 S280 L281 R286 A287 L288 | R273-Y284 HydrophobicContact CG-CE2 4.05Å; R273-Y284 PolarHBondContact O-OH 3.46Å; Q275-Y284 HydrophobicContact CB-CD1 4.19Å; Q275-Y284 HydrophobicContact CB-CD2 3.87Å; Q275-Y284 HydrophobicContact CB-CE1 4.29Å; Q275-Y284 HydrophobicContact CB-CE2 3.97Å; Q275-Y284 HydrophobicContact CB-CG 3.97Å; Q275-Y284 HydrophobicContact CG-CD1 4.46Å; Q275-Y284 HydrophobicContact CG-CD2 4.24Å; Q275-Y284 HydrophobicContact CG-CG 4.04Å; Q275-Y284 VanDerWaalsContact N-CE2 3.26Å; S280-Y284 PolarHBondContact O-N 3.21Å; L281-Y284 PolarHBondContact O-N 3.12Å; Y284-R286 VanDerWaalsContact C-N 3.32Å; Y284-R286 PolarHBondContact O-N 3.26Å; Y284-A287 WeakPolarHBondContact O-CB 3.4Å; Y284-A287 PolarHBondContact O-N 3.44Å; Y284-L288 HydrophobicContact CD1-CD1 4.08Å; Y284-L288 HydrophobicContact CD2-CG 4.47Å; Y284-L288 HydrophobicContact CE1-CD1 3.62Å; Y284-L288 HydrophobicContact CE1-CG 4.41Å; Y284-L288 HydrophobicContact CE2-CD1 4.23Å; Y284-L288 HydrophobicContact CE2-CD2 4.23Å; Y284-L288 HydrophobicContact CE2-CG 4.15Å; Y284-L288 WeakPolarHBondContact O-CG 3.26Å; Y284-L288 PolarHBondContact O-N 3.18Å |
| 285 | V | 97.1 | Very high | 95 | Very high | 63 Ų | 63 | 75 Ų | 75 | 38% | 0.382 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L281 E282 A287 L288 K289 | L281-V285 WeakPolarHBondContact O-CG2 3.42Å; L281-V285 PolarHBondContact O-N 3.43Å; E282-V285 PolarHBondContact O-N 3.12Å; V285-A287 VanDerWaalsContact C-N 3.34Å; V285-A287 PolarHBondContact O-N 2.93Å; V285-L288 PolarHBondContact O-N 3.34Å; V285-K289 HydrophobicContact CG1-CD 4.41Å; V285-K289 WeakPolarHBondContact O-CG 3.3Å; V285-K289 PolarHBondContact O-N 3.28Å |
| 286 | R | 96.6 | Very high | 94.5 | Very high | 144 Ų | 144 | 73.9 Ų | 73.9 | 54% | 0.543 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.2 | -168.9 | -176.4 | -56.1 | 108.1 | 4.5 | 111.3 | E282 D283 Y284 K289 A290 | E282-R286 WeakPolarHBondContact O-CB 3.36Å; E282-R286 PolarHBondContact O-N 2.67Å; D283-R286 WeakPolarHBondContact O-CB 3.47Å; D283-R286 PolarHBondContact O-N 3.31Å; D283-R286 IonicContact OD1-CZ 3.68Å; D283-R286 IonicContact OD1-NH1 3.5Å; D283-R286 PolarHBondContact OD1-NH1 2.88Å; D283-R286 IonicContact OD1-NH2 3.75Å; Y284-R286 VanDerWaalsContact C-N 3.32Å; Y284-R286 PolarHBondContact O-N 3.26Å; R286-K289 PolarHBondContact O-N 3.41Å; R286-A290 PolarHBondContact O-N 2.82Å |
| 287 | A | 95.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 22% | 0.223 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D283 Y284 V285 A290 L291 | D283-A287 WeakPolarHBondContact O-CB 3.36Å; D283-A287 PolarHBondContact O-N 3.46Å; Y284-A287 WeakPolarHBondContact O-CB 3.4Å; Y284-A287 PolarHBondContact O-N 3.44Å; V285-A287 VanDerWaalsContact C-N 3.34Å; V285-A287 PolarHBondContact O-N 2.93Å; A287-A290 PolarHBondContact O-N 3.34Å; A287-L291 WeakPolarHBondContact O-CG 3.43Å; A287-L291 PolarHBondContact O-N 3.28Å |
| 288 | L | 96.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 75.6 Ų | 75.6 | 23% | 0.225 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.9 | -69.4 | 175.6 | 0 | 0 | 0 | 111.7 | L270 R273 Y284 V285 A290 L291 S292 | L270-L288 HydrophobicContact CD1-CB 4.32Å; L270-L288 HydrophobicContact CD1-CD2 4Å; L270-L288 WeakPolarHBondContact CD1-O 3.39Å; R273-L288 HydrophobicContact CB-CD2 3.93Å; R273-L288 HydrophobicContact CG-CD2 3.87Å; Y284-L288 HydrophobicContact CD1-CD1 4.08Å; Y284-L288 HydrophobicContact CD2-CG 4.47Å; Y284-L288 HydrophobicContact CE1-CD1 3.62Å; Y284-L288 HydrophobicContact CE1-CG 4.41Å; Y284-L288 HydrophobicContact CE2-CD1 4.23Å; Y284-L288 HydrophobicContact CE2-CD2 4.23Å; Y284-L288 HydrophobicContact CE2-CG 4.15Å; Y284-L288 WeakPolarHBondContact O-CG 3.26Å; Y284-L288 PolarHBondContact O-N 3.18Å; V285-L288 PolarHBondContact O-N 3.34Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 3.49Å; L288-L291 PolarHBondContact O-N 3.45Å; L288-S292 WeakPolarHBondContact O-CB 3.47Å; L288-S292 PolarHBondContact O-N 3.16Å |
| 289 | K | 96.1 | Very high | 93.7 | Very high | 144 Ų | 144 | 76.9 Ų | 76.9 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 175.1 | -75 | -177.5 | 177.7 | -174.1 | 0 | 112.1 | V285 R286 S292 A293 | V285-K289 HydrophobicContact CG1-CD 4.41Å; V285-K289 WeakPolarHBondContact O-CG 3.3Å; V285-K289 PolarHBondContact O-N 3.28Å; R286-K289 PolarHBondContact O-N 3.41Å; K289-S292 WeakPolarHBondContact CA-OG 3.32Å; K289-S292 PolarHBondContact O-N 3.4Å; K289-S292 PolarHBondContact O-OG 3.1Å; K289-A293 PolarHBondContact O-N 2.84Å |
| 290 | A | 94.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 77.8 Ų | 77.8 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R286 A287 L288 S292 A293 | R286-A290 PolarHBondContact O-N 2.82Å; A287-A290 PolarHBondContact O-N 3.34Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 3.49Å; A290-S292 VanDerWaalsContact C-N 3.32Å; A290-S292 PolarHBondContact O-N 2.84Å; A290-A293 WeakPolarHBondContact O-CB 3.5Å; A290-A293 PolarHBondContact O-N 3.02Å |
| 291 | L | 94.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 175.9 | -67.7 | 172.7 | 0 | 0 | 0 | 112.5 | R269 L270 R273 A287 L288 A293 E294 C295 | R269-L291 HydrophobicContact CB-CD2 4.32Å; R269-L291 VanDerWaalsContact CZ-CD2 3.47Å; L270-L291 HydrophobicContact CB-CB 4.39Å; L270-L291 HydrophobicContact CD1-CB 3.97Å; R273-L291 HydrophobicContact CB-CD1 3.87Å; R273-L291 HydrophobicContact CG-CD1 3.86Å; A287-L291 WeakPolarHBondContact O-CG 3.43Å; A287-L291 PolarHBondContact O-N 3.28Å; L288-L291 PolarHBondContact O-N 3.45Å; L291-A293 PolarHBondContact O-N 3.17Å; L291-E294 PolarHBondContact O-N 2.89Å; L291-C295 PolarHBondContact O-SG 2.71Å |
| 292 | S | 93.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 77.8 Ų | 77.8 | 26% | 0.259 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.2 | -29.5 | 179.2 | 79 | 0 | 0 | 0 | 0 | 112.7 | L288 K289 A290 E294 C295 F297 | L288-S292 WeakPolarHBondContact O-CB 3.47Å; L288-S292 PolarHBondContact O-N 3.16Å; K289-S292 WeakPolarHBondContact CA-OG 3.32Å; K289-S292 PolarHBondContact O-N 3.4Å; K289-S292 PolarHBondContact O-OG 3.1Å; A290-S292 VanDerWaalsContact C-N 3.32Å; A290-S292 PolarHBondContact O-N 2.84Å; S292-E294 PolarHBondContact O-N 3.15Å; S292-C295 WeakPolarHBondContact O-CB 3.36Å; S292-C295 PolarHBondContact O-N 3.03Å; S292-C295 VanDerWaalsContact O-N 3.12Å; S292-F297 VanDerWaalsContact O-CE2 3.24Å; S292-F297 WeakPolarHBondContact O-CE2 3.39Å |
| 293 | A | 90.9 | Very high | 93 | Very high | 86 Ų | 86 | 74.2 Ų | 74.2 | 71% | 0.711 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.4 | -27.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K289 A290 L291 C295 | K289-A293 PolarHBondContact O-N 2.84Å; A290-A293 WeakPolarHBondContact O-CB 3.5Å; A290-A293 PolarHBondContact O-N 3.02Å; L291-A293 PolarHBondContact O-N 3.17Å; A293-C295 VanDerWaalsContact C-N 3.34Å |
| 294 | E | 87.6 | Confident | 92.9 | Very high | 79 Ų | 79 | 75.5 Ų | 75.5 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10 | 176.9 | -57.5 | 176 | -146.6 | 0 | 0 | 112.9 | V261 A266 R269 L291 S292 N296 | V261-E294 WeakPolarHBondContact CG1-O 3.37Å; A266-E294 HydrophobicContact CB-CB 3.96Å; A266-E294 VanDerWaalsContact CB-O 3.25Å; A266-E294 WeakPolarHBondContact CB-O 3.41Å; R269-E294 IonicContact CZ-OE2 3.71Å; R269-E294 VanDerWaalsContact NH1-CD 3.28Å; R269-E294 IonicContact NH1-OE1 2.76Å; R269-E294 PolarHBondContact NH1-OE1 3.25Å; R269-E294 IonicContact NH1-OE2 3.69Å; R269-E294 PolarHBondContact NH1-OE2 3.35Å; L291-E294 PolarHBondContact O-N 2.89Å; S292-E294 PolarHBondContact O-N 3.15Å; E294-N296 VanDerWaalsContact C-N 3.35Å; E294-N296 PolarHBondContact O-N 2.94Å |
| 295 | C | 88.4 | Confident | 92.6 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5 | -170.2 | -66.6 | 0 | 0 | 0 | 0 | 115 | R267 L291 S292 A293 F297 | R267-C295 HydrophobicContact CG-CB 4.03Å; L291-C295 PolarHBondContact O-SG 2.71Å; S292-C295 WeakPolarHBondContact O-CB 3.36Å; S292-C295 PolarHBondContact O-N 3.03Å; S292-C295 VanDerWaalsContact O-N 3.12Å; A293-C295 VanDerWaalsContact C-N 3.34Å; C295-F297 HydrophobicContact CB-CD2 4.16Å; C295-F297 HydrophobicContact CB-CE1 4.12Å; C295-F297 HydrophobicContact CB-CE2 3.6Å; C295-F297 HydrophobicContact CB-CZ 3.57Å; C295-F297 PolarHBondContact O-N 3.47Å |
| 296 | N | 86.6 | Confident | 92.5 | Very high | 73 Ų | 73 | 80.4 Ų | 80.4 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | trans | 50.4 | 55.1 | 179.2 | -160.4 | 15.6 | 0 | 0 | 0 | 114.1 | E263 E294 K298 | E263-N296 HydrophobicContact CG-CB 4.17Å; E263-N296 PolarHBondContact OE1-ND2 2.85Å; E294-N296 VanDerWaalsContact C-N 3.35Å; E294-N296 PolarHBondContact O-N 2.94Å; N296-K298 VanDerWaalsContact CG-CE 3.49Å; N296-K298 WeakPolarHBondContact ND2-CE 3.44Å; N296-K298 PolarHBondContact ND2-NZ 3.34Å; N296-K298 PolarHBondContact O-N 2.96Å; N296-K298 WeakPolarHBondContact OD1-CE 3.32Å | ||
| 297 | F | 87.2 | Confident | 92.4 | Very high | 132 Ų | 132 | 78.6 Ų | 78.6 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | trans | -64.3 | 126.3 | 179.5 | -63.7 | -71.1 | 0 | 0 | 0 | 111.5 | L270 S292 C295 | L270-F297 HydrophobicContact CD2-CZ 4.17Å; S292-F297 VanDerWaalsContact O-CE2 3.24Å; S292-F297 WeakPolarHBondContact O-CE2 3.39Å; C295-F297 HydrophobicContact CB-CD2 4.16Å; C295-F297 HydrophobicContact CB-CE1 4.12Å; C295-F297 HydrophobicContact CB-CE2 3.6Å; C295-F297 HydrophobicContact CB-CZ 3.57Å; C295-F297 PolarHBondContact O-N 3.47Å | ||
| 298 | K | 89.3 | Confident | 92.3 | Very high | 128 Ų | 128 | 78.8 Ų | 78.8 | 56% | 0.557 | 44% | 0.444 | S | S | * | . | trans | -125.9 | 155.9 | 178.7 | -65.4 | 166.5 | -171.5 | 152.2 | 0 | 109.7 | E263 N296 V300 | E263-K298 IonicContact OE1-NZ 3.93Å; E263-K298 PolarHBondContact OE1-NZ 3.47Å; E263-K298 VanDerWaalsContact OE1-NZ 3.12Å; N296-K298 VanDerWaalsContact CG-CE 3.49Å; N296-K298 WeakPolarHBondContact ND2-CE 3.44Å; N296-K298 PolarHBondContact ND2-NZ 3.34Å; N296-K298 PolarHBondContact O-N 2.96Å; N296-K298 WeakPolarHBondContact OD1-CE 3.32Å; K298-V300 PolarHBondContact O-N 3.44Å | ||
| 299 | A | 91.7 | Very high | 92.1 | Very high | 113 Ų | 113 | 80.6 Ų | 80.6 | 93% | 0.934 | 45% | 0.454 | S | S | * | . | trans | -68.7 | 121 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 300 | V | 90.9 | Very high | 92.1 | Very high | 53 Ų | 53 | 77.2 Ų | 77.2 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | trans | -127.2 | 158.7 | -177.7 | -67.5 | 0 | 0 | 0 | 0 | 110.5 | K298 Q304 Y305 | K298-V300 PolarHBondContact O-N 3.44Å; V300-Q304 HydrophobicContact CB-CB 4Å; V300-Y305 HydrophobicContact CG2-CD2 4.21Å; V300-Y305 HydrophobicContact CG2-CG 4.46Å | ||
| 301 | T | 95.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 74.8 Ų | 74.8 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | trans | -67.9 | 158 | 172.2 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | S303 Q304 Y305 | T301-S303 PolarHBondContact O-N 2.93Å; T301-Q304 PolarHBondContact O-N 3.38Å; T301-Q304 VanDerWaalsContact O-N 3.17Å; T301-Q304 VanDerWaalsContact OG1-CG 3.32Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.49Å; T301-Q304 PolarHBondContact OG1-N 2.75Å; T301-Q304 PolarHBondContact OG1-OE1 2.92Å; T301-Y305 PolarHBondContact O-N 3.36Å | ||
| 302 | A | 93.6 | Very high | 92.1 | Very high | 89 Ų | 89 | 75.5 Ų | 75.5 | 74% | 0.736 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.3 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y305 Q306 | A302-Y305 PolarHBondContact O-N 3.06Å; A302-Q306 WeakPolarHBondContact O-CB 3.39Å; A302-Q306 PolarHBondContact O-N 2.84Å |
| 303 | S | 93 | Very high | 92.2 | Very high | 73 Ų | 73 | 76.6 Ų | 76.6 | 51% | 0.51 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 176.8 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | T301 Q306 E307 | T301-S303 PolarHBondContact O-N 2.93Å; S303-Q306 WeakPolarHBondContact O-CB 3.5Å; S303-Q306 PolarHBondContact O-N 2.99Å; S303-E307 PolarHBondContact O-N 3.29Å; S303-E307 VanDerWaalsContact O-N 3.1Å |
| 304 | Q | 93.1 | Very high | 92.4 | Very high | 94 Ų | 94 | 75.3 Ų | 75.3 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.5 | -75.3 | 166.9 | -34.7 | 0 | 0 | 111.2 | V300 T301 Q306 E307 E308 | V300-Q304 HydrophobicContact CB-CB 4Å; T301-Q304 PolarHBondContact O-N 3.38Å; T301-Q304 VanDerWaalsContact O-N 3.17Å; T301-Q304 VanDerWaalsContact OG1-CG 3.32Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.49Å; T301-Q304 PolarHBondContact OG1-N 2.75Å; T301-Q304 PolarHBondContact OG1-OE1 2.92Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.93Å; Q304-E307 PolarHBondContact O-N 3.49Å; Q304-E308 WeakPolarHBondContact O-CB 3.45Å; Q304-E308 WeakPolarHBondContact O-CG 3.35Å; Q304-E308 PolarHBondContact O-N 3.03Å |
| 305 | Y | 92.8 | Very high | 92.8 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 31% | 0.314 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 177.3 | -170.9 | -118.1 | 0 | 0 | 0 | 112.1 | G68 V300 T301 A302 E308 L309 | G68-Y305 PolarHBondContact O-OH 3.31Å; V300-Y305 HydrophobicContact CG2-CD2 4.21Å; V300-Y305 HydrophobicContact CG2-CG 4.46Å; T301-Y305 PolarHBondContact O-N 3.36Å; A302-Y305 PolarHBondContact O-N 3.06Å; Y305-E308 PolarHBondContact O-N 3.41Å; Y305-L309 HydrophobicContact CD1-CD1 3.9Å; Y305-L309 HydrophobicContact CD1-CG 4.37Å; Y305-L309 HydrophobicContact CE1-CD1 3.44Å; Y305-L309 VanDerWaalsContact CE1-CD1 3.44Å; Y305-L309 HydrophobicContact CE1-CD2 4.45Å; Y305-L309 HydrophobicContact CE1-CG 3.98Å; Y305-L309 HydrophobicContact CE2-CD2 4.35Å; Y305-L309 HydrophobicContact CE2-CG 4.23Å; Y305-L309 WeakPolarHBondContact O-CB 3.37Å; Y305-L309 WeakPolarHBondContact O-CG 3.47Å; Y305-L309 PolarHBondContact O-N 3.11Å |
| 306 | Q | 94.4 | Very high | 93 | Very high | 132 Ų | 132 | 73.9 Ų | 73.9 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.9 | -46.3 | 173.6 | -178.8 | -176.6 | -20.8 | 0 | 0 | 111.7 | A302 S303 Q304 L309 V310 | A302-Q306 WeakPolarHBondContact O-CB 3.39Å; A302-Q306 PolarHBondContact O-N 2.84Å; S303-Q306 WeakPolarHBondContact O-CB 3.5Å; S303-Q306 PolarHBondContact O-N 2.99Å; Q304-Q306 VanDerWaalsContact C-N 3.3Å; Q304-Q306 PolarHBondContact O-N 2.93Å; Q306-L309 PolarHBondContact O-N 2.93Å; Q306-V310 VanDerWaalsContact O-CG2 3.3Å; Q306-V310 WeakPolarHBondContact O-CG2 3.41Å; Q306-V310 PolarHBondContact O-N 3.26Å |
| 307 | E | 94.3 | Very high | 93.4 | Very high | 107 Ų | 107 | 73.2 Ų | 73.2 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.5 | -72.5 | 178.8 | -172.4 | 0 | 0 | 112.4 | S303 Q304 V310 R311 | S303-E307 PolarHBondContact O-N 3.29Å; S303-E307 VanDerWaalsContact O-N 3.1Å; Q304-E307 PolarHBondContact O-N 3.49Å; E307-V310 PolarHBondContact O-N 3.5Å; E307-R311 WeakPolarHBondContact O-CB 3.37Å; E307-R311 PolarHBondContact O-N 3.09Å |
| 308 | E | 93.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 15% | 0.145 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.1 | -74.5 | -178.6 | -166.1 | 0 | 0 | 112.3 | R267 Q304 Y305 R311 D312 | R267-E308 IonicContact CZ-OE2 2.71Å; R267-E308 IonicContact NH1-OE2 2.71Å; R267-E308 PolarHBondContact NH1-OE2 3.25Å; R267-E308 IonicContact NH2-OE2 2.75Å; R267-E308 PolarHBondContact NH2-OE2 3.24Å; Q304-E308 WeakPolarHBondContact O-CB 3.45Å; Q304-E308 WeakPolarHBondContact O-CG 3.35Å; Q304-E308 PolarHBondContact O-N 3.03Å; Y305-E308 PolarHBondContact O-N 3.41Å; E308-R311 WeakPolarHBondContact O-CB 3.3Å; E308-R311 PolarHBondContact O-N 3.01Å; E308-D312 WeakPolarHBondContact O-CB 3.43Å; E308-D312 PolarHBondContact O-N 2.88Å |
| 309 | L | 93.3 | Very high | 94 | Very high | 81 Ų | 81 | 71.4 Ų | 71.4 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.7 | -77 | 179.7 | 0 | 0 | 0 | 111.8 | Y305 Q306 R311 D312 A313 | Y305-L309 HydrophobicContact CD1-CD1 3.9Å; Y305-L309 HydrophobicContact CD1-CG 4.37Å; Y305-L309 HydrophobicContact CE1-CD1 3.44Å; Y305-L309 VanDerWaalsContact CE1-CD1 3.44Å; Y305-L309 HydrophobicContact CE1-CD2 4.45Å; Y305-L309 HydrophobicContact CE1-CG 3.98Å; Y305-L309 HydrophobicContact CE2-CD2 4.35Å; Y305-L309 HydrophobicContact CE2-CG 4.23Å; Y305-L309 WeakPolarHBondContact O-CB 3.37Å; Y305-L309 WeakPolarHBondContact O-CG 3.47Å; Y305-L309 PolarHBondContact O-N 3.11Å; Q306-L309 PolarHBondContact O-N 2.93Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.22Å; L309-D312 PolarHBondContact O-N 2.79Å; L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.09Å; L309-A313 PolarHBondContact O-N 3.43Å |
| 310 | V | 95.5 | Very high | 94.1 | Very high | 72 Ų | 72 | 67.6 Ų | 67.6 | 44% | 0.436 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | Q306 E307 F314 L335 | Q306-V310 VanDerWaalsContact O-CG2 3.3Å; Q306-V310 WeakPolarHBondContact O-CG2 3.41Å; Q306-V310 PolarHBondContact O-N 3.26Å; E307-V310 PolarHBondContact O-N 3.5Å; V310-F314 VanDerWaalsContact O-CB 3.23Å; V310-F314 WeakPolarHBondContact O-CB 3.38Å; V310-F314 PolarHBondContact O-N 3.48Å; V310-L335 HydrophobicContact CB-CD2 4.21Å; V310-L335 HydrophobicContact CG1-CD1 4.23Å; V310-L335 HydrophobicContact CG1-CD2 3.74Å |
| 311 | R | 94.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 70.6 Ų | 70.6 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 175.4 | -179.9 | -163.6 | 67.9 | -158.6 | -8.7 | 111.9 | E307 E308 L309 A313 F314 V315 C333 L335 L338 | E307-R311 WeakPolarHBondContact O-CB 3.37Å; E307-R311 PolarHBondContact O-N 3.09Å; E308-R311 WeakPolarHBondContact O-CB 3.3Å; E308-R311 PolarHBondContact O-N 3.01Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.22Å; R311-A313 VanDerWaalsContact C-N 3.34Å; R311-A313 PolarHBondContact O-N 2.87Å; R311-F314 WeakPolarHBondContact O-CB 3.36Å; R311-F314 PolarHBondContact O-N 2.71Å; R311-V315 WeakPolarHBondContact O-CG2 3.49Å; R311-V315 PolarHBondContact O-N 3.21Å; R311-C333 WeakPolarHBondContact CD-O 3.28Å; R311-C333 PolarHBondContact NH1-O 3.23Å; R311-L335 HydrophobicContact CB-CB 4.36Å; R311-L335 HydrophobicContact CB-CD1 4.04Å; R311-L338 HydrophobicContact CG-CD1 3.43Å; R311-L338 VanDerWaalsContact CG-CD1 3.43Å |
| 312 | D | 94 | Very high | 94.1 | Very high | 33 Ų | 33 | 69.9 Ų | 69.9 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | -176.1 | -61.2 | -15.3 | 0 | 0 | 0 | 110.7 | R267 E308 L309 S316 | R267-D312 WeakPolarHBondContact CD-OD2 3.46Å; R267-D312 IonicContact CZ-OD2 2.82Å; R267-D312 IonicContact NE-OD2 3.94Å; R267-D312 IonicContact NH1-OD2 3.03Å; R267-D312 PolarHBondContact NH1-OD2 3.47Å; R267-D312 VanDerWaalsContact NH1-OD2 3.08Å; E308-D312 WeakPolarHBondContact O-CB 3.43Å; E308-D312 PolarHBondContact O-N 2.88Å; L309-D312 PolarHBondContact O-N 2.79Å; D312-S316 WeakPolarHBondContact O-CB 3.38Å; D312-S316 PolarHBondContact O-N 3.03Å; D312-S316 PolarHBondContact O-OG 3.31Å |
| 313 | A | 95.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | L309 R311 S316 G317 | L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.09Å; L309-A313 PolarHBondContact O-N 3.43Å; R311-A313 VanDerWaalsContact C-N 3.34Å; R311-A313 PolarHBondContact O-N 2.87Å; A313-S316 WeakPolarHBondContact CA-OG 3.46Å; A313-S316 PolarHBondContact O-OG 3.16Å; A313-G317 PolarHBondContact O-N 3.41Å |
| 314 | F | 95.9 | Very high | 94.3 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59 | -52.9 | 175.8 | 173.7 | -109.3 | 0 | 0 | 0 | 110.8 | V310 R311 S316 G317 L318 L327 L339 A342 | V310-F314 VanDerWaalsContact O-CB 3.23Å; V310-F314 WeakPolarHBondContact O-CB 3.38Å; V310-F314 PolarHBondContact O-N 3.48Å; R311-F314 WeakPolarHBondContact O-CB 3.36Å; R311-F314 PolarHBondContact O-N 2.71Å; F314-S316 PolarHBondContact O-N 3.23Å; F314-G317 PolarHBondContact O-N 2.62Å; F314-L318 HydrophobicContact CE1-CD1 4.23Å; F314-L318 HydrophobicContact CE2-CD2 4.09Å; F314-L318 HydrophobicContact CZ-CD1 4.29Å; F314-L318 HydrophobicContact CZ-CD2 4.19Å; F314-L318 WeakPolarHBondContact O-CG 3.24Å; F314-L318 PolarHBondContact O-N 3.01Å; F314-L327 HydrophobicContact CD1-CD1 4.31Å; F314-L327 HydrophobicContact CE1-CD1 3.68Å; F314-L339 HydrophobicContact CD2-CD2 4.44Å; F314-L339 HydrophobicContact CE1-CD2 4.05Å; F314-L339 HydrophobicContact CE2-CD2 3.97Å; F314-L339 HydrophobicContact CZ-CD2 3.76Å; F314-A342 HydrophobicContact CE1-CB 4.14Å; F314-A342 HydrophobicContact CZ-CB 3.83Å |
| 315 | V | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | -177.4 | 176.5 | 0 | 0 | 0 | 0 | 112 | V264 Y268 R311 R324 L327 L328 | V264-V315 HydrophobicContact CG1-CG1 4.33Å; V264-V315 HydrophobicContact CG1-CG2 3.9Å; Y268-V315 HydrophobicContact CD2-CG1 4.05Å; R311-V315 WeakPolarHBondContact O-CG2 3.49Å; R311-V315 PolarHBondContact O-N 3.21Å; V315-R324 HydrophobicContact CG1-CG 4.37Å; V315-R324 WeakPolarHBondContact O-CD 3.37Å; V315-L327 HydrophobicContact CG2-CD1 4.23Å; V315-L328 HydrophobicContact CG1-CD2 3.81Å; V315-L328 HydrophobicContact CG1-CG 4.28Å |
| 316 | S | 93.5 | Very high | 94.4 | Very high | 47 Ų | 47 | 68.5 Ų | 68.5 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.6 | -31.2 | 179.8 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | D312 A313 F314 | D312-S316 WeakPolarHBondContact O-CB 3.38Å; D312-S316 PolarHBondContact O-N 3.03Å; D312-S316 PolarHBondContact O-OG 3.31Å; A313-S316 WeakPolarHBondContact CA-OG 3.46Å; A313-S316 PolarHBondContact O-OG 3.16Å; F314-S316 PolarHBondContact O-N 3.23Å |
| 317 | G | 94.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 62.2 Ų | 62.2 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -83 | -9.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A313 F314 Q319 | A313-G317 PolarHBondContact O-N 3.41Å; F314-G317 PolarHBondContact O-N 2.62Å; G317-Q319 PolarHBondContact O-N 2.86Å |
| 318 | L | 94.9 | Very high | 94.4 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | trans | -64.5 | 129.1 | -179 | -79 | 167.4 | 0 | 0 | 0 | 112.7 | F314 I323 R324 L327 | F314-L318 HydrophobicContact CE1-CD1 4.23Å; F314-L318 HydrophobicContact CE2-CD2 4.09Å; F314-L318 HydrophobicContact CZ-CD1 4.29Å; F314-L318 HydrophobicContact CZ-CD2 4.19Å; F314-L318 WeakPolarHBondContact O-CG 3.24Å; F314-L318 PolarHBondContact O-N 3.01Å; L318-I323 HydrophobicContact CD1-CB 4.48Å; L318-I323 HydrophobicContact CD1-CG2 3.83Å; L318-I323 HydrophobicContact CD2-CG2 4.43Å; L318-R324 HydrophobicContact CB-CB 4.32Å; L318-R324 HydrophobicContact CD1-CB 4.41Å; L318-R324 PolarHBondContact O-NH1 3.33Å; L318-L327 HydrophobicContact CD1-CD1 3.42Å; L318-L327 VanDerWaalsContact CD1-CD1 3.42Å | ||
| 319 | Q | 94.3 | Very high | 94.2 | Very high | 194 Ų | 194 | 61.8 Ų | 61.8 | 91% | 0.907 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -76.7 | -38.9 | 173.9 | -63.8 | -177.1 | 19.5 | 0 | 0 | 112.3 | G317 H321 | G317-Q319 PolarHBondContact O-N 2.86Å; Q319-H321 PolarHBondContact O-N 3.31Å; Q319-H321 VanDerWaalsContact O-N 3.15Å |
| 320 | S | 94.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | trans | -71.6 | 108.8 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | I322 I323 R324 Q349 | S320-I322 PolarHBondContact O-N 2.9Å; S320-I323 PolarHBondContact O-N 3.34Å; S320-I323 PolarHBondContact OG-N 3.42Å; S320-R324 PolarHBondContact O-N 2.89Å; S320-Q349 PolarHBondContact OG-OE1 3.44Å | ||
| 321 | H | 93.7 | Very high | 93.4 | Very high | 117 Ų | 117 | 65.5 Ų | 65.5 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -30.8 | 175.7 | 69.2 | -80.3 | 0 | 0 | 0 | 112.2 | Q319 Q325 | Q319-H321 PolarHBondContact O-N 3.31Å; Q319-H321 VanDerWaalsContact O-N 3.15Å; H321-Q325 VanDerWaalsContact O-CB 3.25Å; H321-Q325 WeakPolarHBondContact O-CB 3.11Å; H321-Q325 PolarHBondContact O-N 2.95Å |
| 322 | I | 94.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 66 Ų | 66 | 34% | 0.338 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.6 | -49 | 179.3 | -64.3 | 172.4 | 0 | 0 | 0 | 110.1 | S320 R324 Q325 R326 V345 | S320-I322 PolarHBondContact O-N 2.9Å; I322-R324 VanDerWaalsContact C-N 3.35Å; I322-R324 PolarHBondContact O-N 3.04Å; I322-Q325 PolarHBondContact O-N 3.49Å; I322-R326 WeakPolarHBondContact O-CG 3.4Å; I322-R326 PolarHBondContact O-N 3.49Å; I322-V345 HydrophobicContact CG2-CG1 4.09Å |
| 323 | I | 95 | Very high | 92 | Very high | 13 Ų | 13 | 67.4 Ų | 67.4 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 176.5 | -61.3 | 174.2 | 0 | 0 | 0 | 109.1 | L318 S320 Q325 R326 L327 A342 V345 D346 | L318-I323 HydrophobicContact CD1-CB 4.48Å; L318-I323 HydrophobicContact CD1-CG2 3.83Å; L318-I323 HydrophobicContact CD2-CG2 4.43Å; S320-I323 PolarHBondContact O-N 3.34Å; S320-I323 PolarHBondContact OG-N 3.42Å; I323-Q325 VanDerWaalsContact C-N 3.33Å; I323-Q325 PolarHBondContact O-N 2.75Å; I323-R326 PolarHBondContact O-N 3.39Å; I323-R326 VanDerWaalsContact O-N 3.13Å; I323-L327 HydrophobicContact CG2-CD1 4.08Å; I323-L327 HydrophobicContact CG2-CG 4.3Å; I323-L327 WeakPolarHBondContact O-CG 3.36Å; I323-L327 PolarHBondContact O-N 3.19Å; I323-A342 HydrophobicContact CG2-CB 3.83Å; I323-V345 HydrophobicContact CG1-CB 4.28Å; I323-V345 HydrophobicContact CG1-CG1 3.79Å; I323-D346 HydrophobicContact CD1-CB 3.94Å |
| 324 | R | 95.6 | Very high | 91.9 | Very high | 61 Ų | 61 | 67.8 Ų | 67.8 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 179.7 | -175.2 | 172.5 | 62.4 | -136.6 | -3 | 112.3 | Y268 V315 L318 S320 I322 R326 L327 L328 | Y268-R324 HydrophobicContact CE2-CG 4.4Å; Y268-R324 PolarHBondContact OH-NE 2.96Å; V315-R324 HydrophobicContact CG1-CG 4.37Å; V315-R324 WeakPolarHBondContact O-CD 3.37Å; L318-R324 HydrophobicContact CB-CB 4.32Å; L318-R324 HydrophobicContact CD1-CB 4.41Å; L318-R324 PolarHBondContact O-NH1 3.33Å; S320-R324 PolarHBondContact O-N 2.89Å; I322-R324 VanDerWaalsContact C-N 3.35Å; I322-R324 PolarHBondContact O-N 3.04Å; R324-R326 PolarHBondContact O-N 3.45Å; R324-L327 PolarHBondContact O-N 2.9Å; R324-L328 HydrophobicContact CG-CD1 3.89Å; R324-L328 HydrophobicContact CG-CG 4.4Å; R324-L328 VanDerWaalsContact O-CG 3.24Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 3.39Å |
| 325 | Q | 94.3 | Very high | 91.8 | Very high | 100 Ų | 100 | 66.7 Ų | 66.7 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 175.9 | 177.2 | 178.9 | -9 | 0 | 0 | 111.2 | H321 I322 I323 L327 L328 E329 | H321-Q325 VanDerWaalsContact O-CB 3.25Å; H321-Q325 WeakPolarHBondContact O-CB 3.11Å; H321-Q325 PolarHBondContact O-N 2.95Å; I322-Q325 PolarHBondContact O-N 3.49Å; I323-Q325 VanDerWaalsContact C-N 3.33Å; I323-Q325 PolarHBondContact O-N 2.75Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 PolarHBondContact O-N 2.99Å; Q325-L328 PolarHBondContact O-N 2.93Å; Q325-L328 VanDerWaalsContact O-N 3.15Å; Q325-E329 HydrophobicContact CG-CG 4.45Å; Q325-E329 VanDerWaalsContact CG-OE1 3.23Å; Q325-E329 WeakPolarHBondContact CG-OE1 3.48Å; Q325-E329 PolarHBondContact NE2-OE1 3Å; Q325-E329 WeakPolarHBondContact O-CG 3.41Å; Q325-E329 PolarHBondContact O-N 2.93Å |
| 326 | R | 93.9 | Very high | 91.7 | Very high | 132 Ų | 132 | 69.6 Ų | 69.6 | 50% | 0.498 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 178.8 | -68.2 | -56.7 | -168.9 | -172 | 5.1 | 113.2 | I322 I323 R324 E329 S330 V345 | I322-R326 WeakPolarHBondContact O-CG 3.4Å; I322-R326 PolarHBondContact O-N 3.49Å; I323-R326 PolarHBondContact O-N 3.39Å; I323-R326 VanDerWaalsContact O-N 3.13Å; R324-R326 PolarHBondContact O-N 3.45Å; R326-E329 IonicContact CZ-OE2 3.98Å; R326-E329 IonicContact NH1-OE2 3.21Å; R326-E329 PolarHBondContact NH1-OE2 3.15Å; R326-S330 PolarHBondContact O-N 2.86Å; R326-S330 VanDerWaalsContact O-N 3.14Å; R326-V345 HydrophobicContact CB-CG2 3.96Å; R326-V345 HydrophobicContact CG-CG1 4.33Å; R326-V345 HydrophobicContact CG-CG2 3.9Å |
| 327 | L | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 175.5 | -63.9 | 179.8 | 0 | 0 | 0 | 112.2 | F314 V315 L318 I323 R324 Q325 E329 S330 L338 V341 A342 | F314-L327 HydrophobicContact CD1-CD1 4.31Å; F314-L327 HydrophobicContact CE1-CD1 3.68Å; V315-L327 HydrophobicContact CG2-CD1 4.23Å; L318-L327 HydrophobicContact CD1-CD1 3.42Å; L318-L327 VanDerWaalsContact CD1-CD1 3.42Å; I323-L327 HydrophobicContact CG2-CD1 4.08Å; I323-L327 HydrophobicContact CG2-CG 4.3Å; I323-L327 WeakPolarHBondContact O-CG 3.36Å; I323-L327 PolarHBondContact O-N 3.19Å; R324-L327 PolarHBondContact O-N 2.9Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 PolarHBondContact O-N 2.99Å; L327-E329 VanDerWaalsContact C-N 3.3Å; L327-E329 PolarHBondContact O-N 3.5Å; L327-S330 WeakPolarHBondContact O-CB 3.33Å; L327-S330 PolarHBondContact O-N 2.76Å; L327-L338 HydrophobicContact CB-CD2 4.1Å; L327-L338 HydrophobicContact CD2-CB 4.2Å; L327-L338 HydrophobicContact CD2-CD2 3.74Å; L327-L338 WeakPolarHBondContact CD2-O 3.32Å; L327-L338 HydrophobicContact CG-CD2 4.43Å; L327-V341 HydrophobicContact CD2-CB 3.86Å; L327-V341 HydrophobicContact CD2-CG1 3.77Å; L327-A342 HydrophobicContact CD1-CB 4.37Å; L327-A342 HydrophobicContact CD2-CB 4.23Å |
| 328 | L | 93.2 | Very high | 91.7 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74 | -20.3 | 178.1 | -64.5 | 171.6 | 0 | 0 | 0 | 113.3 | N262 V264 H265 Y268 V315 R324 Q325 | N262-L328 PolarHBondContact ND2-O 2.93Å; V264-L328 HydrophobicContact CG1-CD2 4.46Å; H265-L328 HydrophobicContact CB-CD2 4.31Å; Y268-L328 HydrophobicContact CD1-CD1 3.64Å; Y268-L328 HydrophobicContact CD1-CD2 3.89Å; Y268-L328 HydrophobicContact CD1-CG 4.46Å; Y268-L328 HydrophobicContact CD2-CD2 4.41Å; Y268-L328 HydrophobicContact CE1-CD1 3.71Å; Y268-L328 HydrophobicContact CG-CD1 4.1Å; Y268-L328 HydrophobicContact CG-CD2 3.71Å; V315-L328 HydrophobicContact CG1-CD2 3.81Å; V315-L328 HydrophobicContact CG1-CG 4.28Å; R324-L328 HydrophobicContact CG-CD1 3.89Å; R324-L328 HydrophobicContact CG-CG 4.4Å; R324-L328 VanDerWaalsContact O-CG 3.24Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 3.39Å; Q325-L328 PolarHBondContact O-N 2.93Å; Q325-L328 VanDerWaalsContact O-N 3.15Å |
| 329 | E | 90.6 | Very high | 91.8 | Very high | 101 Ų | 101 | 68 Ų | 68 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -83.8 | -21 | 170.8 | -72.5 | 170.2 | -175.7 | 0 | 0 | 112.5 | Q325 R326 L327 | Q325-E329 HydrophobicContact CG-CG 4.45Å; Q325-E329 VanDerWaalsContact CG-OE1 3.23Å; Q325-E329 WeakPolarHBondContact CG-OE1 3.48Å; Q325-E329 PolarHBondContact NE2-OE1 3Å; Q325-E329 WeakPolarHBondContact O-CG 3.41Å; Q325-E329 PolarHBondContact O-N 2.93Å; R326-E329 IonicContact CZ-OE2 3.98Å; R326-E329 IonicContact NH1-OE2 3.21Å; R326-E329 PolarHBondContact NH1-OE2 3.15Å; L327-E329 VanDerWaalsContact C-N 3.3Å; L327-E329 PolarHBondContact O-N 3.5Å |
| 330 | S | 86.4 | Confident | 91.8 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | trans | -67.9 | 143.2 | -176.3 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | N262 R326 L327 A332 | N262-S330 PolarHBondContact ND2-O 2.65Å; R326-S330 PolarHBondContact O-N 2.86Å; R326-S330 VanDerWaalsContact O-N 3.14Å; L327-S330 WeakPolarHBondContact O-CB 3.33Å; L327-S330 PolarHBondContact O-N 2.76Å; S330-A332 WeakPolarHBondContact OG-CB 3.44Å; S330-A332 PolarHBondContact OG-N 2.81Å; S330-A332 VanDerWaalsContact OG-N 3.15Å | ||
| 331 | K | 83.9 | Confident | 91.8 | Very high | 207 Ų | 207 | 63.4 Ų | 63.4 | 90% | 0.9 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -76.9 | -10.4 | 170 | -62.6 | -175.9 | -179.7 | -176.6 | 0 | 112.7 | ||
| 332 | A | 78.1 | Confident | 91.9 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | trans | -71.9 | 132.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S330 L338 | S330-A332 WeakPolarHBondContact OG-CB 3.44Å; S330-A332 PolarHBondContact OG-N 2.81Å; S330-A332 VanDerWaalsContact OG-N 3.15Å; A332-L338 HydrophobicContact CB-CD2 4.46Å | ||
| 333 | C | 82.9 | Confident | 92 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 43% | 0.432 | 31% | 0.314 | S | S | . | . | trans | -110.9 | -12.3 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | R311 | R311-C333 WeakPolarHBondContact CD-O 3.28Å; R311-C333 PolarHBondContact NH1-O 3.23Å | ||
| 334 | D | 91.4 | Very high | 92 | Very high | 68 Ų | 68 | 66.7 Ų | 66.7 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -90.2 | 147 | -177.7 | 59.9 | -53.7 | 0 | 0 | 0 | 112.4 | A336 S337 L338 | D334-A336 VanDerWaalsContact C-N 3.31Å; D334-A336 PolarHBondContact O-N 2.91Å; D334-S337 VanDerWaalsContact CG-CB 3.47Å; D334-S337 WeakPolarHBondContact OD1-CB 3.23Å; D334-S337 PolarHBondContact OD1-OG 3.49Å; D334-S337 WeakPolarHBondContact OD2-CB 3.31Å; D334-S337 PolarHBondContact OD2-N 3.47Å; D334-S337 PolarHBondContact OD2-OG 3.29Å; D334-L338 WeakPolarHBondContact O-CG 3.31Å; D334-L338 PolarHBondContact O-N 3.35Å; D334-L338 VanDerWaalsContact O-N 3.14Å |
| 335 | L | 93.7 | Very high | 92 | Very high | 37 Ų | 37 | 64.9 Ų | 64.9 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | -178.7 | 177.7 | 61.9 | 0 | 0 | 0 | 111.9 | V310 R311 L338 L339 | V310-L335 HydrophobicContact CB-CD2 4.21Å; V310-L335 HydrophobicContact CG1-CD1 4.23Å; V310-L335 HydrophobicContact CG1-CD2 3.74Å; R311-L335 HydrophobicContact CB-CB 4.36Å; R311-L335 HydrophobicContact CB-CD1 4.04Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-L339 HydrophobicContact CD1-CD1 4.29Å; L335-L339 HydrophobicContact CD1-CG 4.28Å; L335-L339 HydrophobicContact CG-CD1 4.15Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.8Å |
| 336 | A | 94.4 | Very high | 92 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 50% | 0.504 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -52.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D334 L338 L339 D340 | D334-A336 VanDerWaalsContact C-N 3.31Å; D334-A336 PolarHBondContact O-N 2.91Å; A336-L338 VanDerWaalsContact C-N 3.32Å; A336-L338 PolarHBondContact O-N 2.91Å; A336-L339 WeakPolarHBondContact O-CB 3.17Å; A336-L339 PolarHBondContact O-N 3.42Å; A336-D340 PolarHBondContact O-N 3.33Å; A336-D340 VanDerWaalsContact O-N 3.08Å |
| 337 | S | 94 | Very high | 92 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | D334 L339 D340 V341 | D334-S337 VanDerWaalsContact CG-CB 3.47Å; D334-S337 WeakPolarHBondContact OD1-CB 3.23Å; D334-S337 PolarHBondContact OD1-OG 3.49Å; D334-S337 WeakPolarHBondContact OD2-CB 3.31Å; D334-S337 PolarHBondContact OD2-N 3.47Å; D334-S337 PolarHBondContact OD2-OG 3.29Å; S337-L339 VanDerWaalsContact C-N 3.35Å; S337-L339 PolarHBondContact O-N 2.72Å; S337-D340 PolarHBondContact O-N 3.3Å; S337-V341 WeakPolarHBondContact O-CG2 3.37Å; S337-V341 PolarHBondContact O-N 3.49Å |
| 338 | L | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 175.6 | -73.4 | 168.5 | 0 | 0 | 0 | 112.3 | V264 R311 L327 A332 D334 L335 A336 D340 V341 A342 | V264-L338 HydrophobicContact CG1-CD1 4.37Å; V264-L338 HydrophobicContact CG2-CD1 4.07Å; R311-L338 HydrophobicContact CG-CD1 3.43Å; R311-L338 VanDerWaalsContact CG-CD1 3.43Å; L327-L338 HydrophobicContact CB-CD2 4.1Å; L327-L338 HydrophobicContact CD2-CB 4.2Å; L327-L338 HydrophobicContact CD2-CD2 3.74Å; L327-L338 WeakPolarHBondContact CD2-O 3.32Å; L327-L338 HydrophobicContact CG-CD2 4.43Å; A332-L338 HydrophobicContact CB-CD2 4.46Å; D334-L338 WeakPolarHBondContact O-CG 3.31Å; D334-L338 PolarHBondContact O-N 3.35Å; D334-L338 VanDerWaalsContact O-N 3.14Å; L335-L338 PolarHBondContact O-N 2.93Å; A336-L338 VanDerWaalsContact C-N 3.32Å; A336-L338 PolarHBondContact O-N 2.91Å; L338-D340 VanDerWaalsContact C-N 3.34Å; L338-V341 PolarHBondContact O-N 3.42Å; L338-A342 WeakPolarHBondContact O-CB 3.42Å; L338-A342 PolarHBondContact O-N 2.95Å |
| 339 | L | 95.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.288 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 174 | -73.7 | 171.8 | 0 | 0 | 0 | 111.8 | F314 L335 A336 S337 A342 R343 | F314-L339 HydrophobicContact CD2-CD2 4.44Å; F314-L339 HydrophobicContact CE1-CD2 4.05Å; F314-L339 HydrophobicContact CE2-CD2 3.97Å; F314-L339 HydrophobicContact CZ-CD2 3.76Å; L335-L339 HydrophobicContact CD1-CD1 4.29Å; L335-L339 HydrophobicContact CD1-CG 4.28Å; L335-L339 HydrophobicContact CG-CD1 4.15Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.8Å; A336-L339 WeakPolarHBondContact O-CB 3.17Å; A336-L339 PolarHBondContact O-N 3.42Å; S337-L339 VanDerWaalsContact C-N 3.35Å; S337-L339 PolarHBondContact O-N 2.72Å; L339-A342 PolarHBondContact O-N 3.48Å; L339-R343 WeakPolarHBondContact O-CB 3.31Å; L339-R343 VanDerWaalsContact O-CG 3.24Å; L339-R343 WeakPolarHBondContact O-CG 3.39Å; L339-R343 PolarHBondContact O-N 3.34Å |
| 340 | D | 95.2 | Very high | 91.9 | Very high | 84 Ų | 84 | 64.3 Ų | 64.3 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67 | -43 | 177.9 | -71.6 | -22.1 | 0 | 0 | 0 | 111.8 | A336 S337 L338 A342 R343 V344 | A336-D340 PolarHBondContact O-N 3.33Å; A336-D340 VanDerWaalsContact O-N 3.08Å; S337-D340 PolarHBondContact O-N 3.3Å; L338-D340 VanDerWaalsContact C-N 3.34Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact O-N 2.85Å; D340-R343 PolarHBondContact O-N 3.01Å; D340-R343 IonicContact OD1-CZ 4Å; D340-R343 IonicContact OD1-NH1 2.98Å; D340-R343 PolarHBondContact OD1-NH1 2.94Å; D340-V344 VanDerWaalsContact O-CG2 3.31Å; D340-V344 WeakPolarHBondContact O-CG2 3.44Å; D340-V344 PolarHBondContact O-N 3.44Å |
| 341 | V | 94.3 | Very high | 92.1 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 171.6 | 175 | 0 | 0 | 0 | 0 | 110.6 | L327 S337 L338 R343 V344 V345 | L327-V341 HydrophobicContact CD2-CB 3.86Å; L327-V341 HydrophobicContact CD2-CG1 3.77Å; S337-V341 WeakPolarHBondContact O-CG2 3.37Å; S337-V341 PolarHBondContact O-N 3.49Å; L338-V341 PolarHBondContact O-N 3.42Å; V341-R343 PolarHBondContact O-N 3.19Å; V341-V344 PolarHBondContact O-N 2.97Å; V341-V345 HydrophobicContact CG1-CG2 4.41Å; V341-V345 VanDerWaalsContact O-CG2 3.32Å; V341-V345 WeakPolarHBondContact O-CG2 3.42Å; V341-V345 PolarHBondContact O-N 3.14Å |
| 342 | A | 95.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F314 I323 L327 L338 L339 D340 V345 D346 | F314-A342 HydrophobicContact CE1-CB 4.14Å; F314-A342 HydrophobicContact CZ-CB 3.83Å; I323-A342 HydrophobicContact CG2-CB 3.83Å; L327-A342 HydrophobicContact CD1-CB 4.37Å; L327-A342 HydrophobicContact CD2-CB 4.23Å; L338-A342 WeakPolarHBondContact O-CB 3.42Å; L338-A342 PolarHBondContact O-N 2.95Å; L339-A342 PolarHBondContact O-N 3.48Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact O-N 2.85Å; A342-V345 PolarHBondContact O-N 3.47Å; A342-D346 VanDerWaalsContact O-CB 3.22Å; A342-D346 WeakPolarHBondContact O-CB 3.38Å; A342-D346 PolarHBondContact O-N 3.33Å |
| 343 | R | 96.2 | Very high | 92.7 | Very high | 151 Ų | 151 | 61.9 Ų | 61.9 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 177 | -74.7 | 167.2 | 179.7 | 166.4 | -3.3 | 112.4 | L339 D340 V341 S347 | L339-R343 WeakPolarHBondContact O-CB 3.31Å; L339-R343 VanDerWaalsContact O-CG 3.24Å; L339-R343 WeakPolarHBondContact O-CG 3.39Å; L339-R343 PolarHBondContact O-N 3.34Å; D340-R343 PolarHBondContact O-N 3.01Å; D340-R343 IonicContact OD1-CZ 4Å; D340-R343 IonicContact OD1-NH1 2.98Å; D340-R343 PolarHBondContact OD1-NH1 2.94Å; V341-R343 PolarHBondContact O-N 3.19Å; R343-S347 VanDerWaalsContact O-CB 3.28Å; R343-S347 WeakPolarHBondContact O-CB 3.26Å; R343-S347 PolarHBondContact O-N 3.37Å; R343-S347 PolarHBondContact O-OG 3.47Å |
| 344 | V | 95.3 | Very high | 92.7 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 63% | 0.63 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | D340 V341 S347 A348 | D340-V344 VanDerWaalsContact O-CG2 3.31Å; D340-V344 WeakPolarHBondContact O-CG2 3.44Å; D340-V344 PolarHBondContact O-N 3.44Å; V341-V344 PolarHBondContact O-N 2.97Å; V344-S347 PolarHBondContact O-N 3.31Å; V344-A348 WeakPolarHBondContact O-CB 3.49Å; V344-A348 PolarHBondContact O-N 3.06Å |
| 345 | V | 94.9 | Very high | 92.1 | Very high | 23 Ų | 23 | 67 Ų | 67 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -46.6 | 179.1 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | I322 I323 R326 V341 A342 S347 A348 Q349 | I322-V345 HydrophobicContact CG2-CG1 4.09Å; I323-V345 HydrophobicContact CG1-CB 4.28Å; I323-V345 HydrophobicContact CG1-CG1 3.79Å; R326-V345 HydrophobicContact CB-CG2 3.96Å; R326-V345 HydrophobicContact CG-CG1 4.33Å; R326-V345 HydrophobicContact CG-CG2 3.9Å; V341-V345 HydrophobicContact CG1-CG2 4.41Å; V341-V345 VanDerWaalsContact O-CG2 3.32Å; V341-V345 WeakPolarHBondContact O-CG2 3.42Å; V341-V345 PolarHBondContact O-N 3.14Å; A342-V345 PolarHBondContact O-N 3.47Å; V345-S347 VanDerWaalsContact C-N 3.34Å; V345-S347 PolarHBondContact O-N 3Å; V345-A348 PolarHBondContact O-N 2.97Å; V345-Q349 HydrophobicContact CG1-CG 4.41Å; V345-Q349 WeakPolarHBondContact O-CG 3.48Å; V345-Q349 PolarHBondContact O-N 3.08Å |
| 346 | D | 95.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 28% | 0.283 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 178 | -179.7 | 62.2 | 0 | 0 | 0 | 112 | I323 A342 A348 Q349 K350 | I323-D346 HydrophobicContact CD1-CB 3.94Å; A342-D346 VanDerWaalsContact O-CB 3.22Å; A342-D346 WeakPolarHBondContact O-CB 3.38Å; A342-D346 PolarHBondContact O-N 3.33Å; D346-A348 PolarHBondContact O-N 3.45Å; D346-Q349 PolarHBondContact O-N 3.35Å; D346-K350 WeakPolarHBondContact O-CG 3.33Å; D346-K350 PolarHBondContact O-N 3.5Å; D346-K350 WeakPolarHBondContact OD1-CE 3.15Å; D346-K350 IonicContact OD1-NZ 3.54Å; D346-K350 VanDerWaalsContact OD2-CE 3.29Å; D346-K350 WeakPolarHBondContact OD2-CE 3.25Å; D346-K350 IonicContact OD2-NZ 2.67Å; D346-K350 PolarHBondContact OD2-NZ 3.25Å |
| 347 | S | 93.9 | Very high | 90.2 | Very high | 74 Ų | 74 | 73.5 Ų | 73.5 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | R343 V344 V345 G351 | R343-S347 VanDerWaalsContact O-CB 3.28Å; R343-S347 WeakPolarHBondContact O-CB 3.26Å; R343-S347 PolarHBondContact O-N 3.37Å; R343-S347 PolarHBondContact O-OG 3.47Å; V344-S347 PolarHBondContact O-N 3.31Å; V345-S347 VanDerWaalsContact C-N 3.34Å; V345-S347 PolarHBondContact O-N 3Å; S347-G351 PolarHBondContact O-N 3.39Å |
| 348 | A | 92.9 | Very high | 88.7 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V344 V345 D346 G351 S352 | V344-A348 WeakPolarHBondContact O-CB 3.49Å; V344-A348 PolarHBondContact O-N 3.06Å; V345-A348 PolarHBondContact O-N 2.97Å; D346-A348 PolarHBondContact O-N 3.45Å; A348-G351 PolarHBondContact O-N 3.28Å; A348-S352 WeakPolarHBondContact O-CB 3.5Å; A348-S352 PolarHBondContact O-N 3.46Å |
| 349 | Q | 92.1 | Very high | 87.1 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 17% | 0.173 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 176.3 | -70.3 | -171.2 | -71.7 | 0 | 0 | 111.2 | S320 V345 D346 G351 S352 E353 | S320-Q349 PolarHBondContact OG-OE1 3.44Å; V345-Q349 HydrophobicContact CG1-CG 4.41Å; V345-Q349 WeakPolarHBondContact O-CG 3.48Å; V345-Q349 PolarHBondContact O-N 3.08Å; D346-Q349 PolarHBondContact O-N 3.35Å; Q349-G351 VanDerWaalsContact C-N 3.3Å; Q349-G351 PolarHBondContact O-N 2.9Å; Q349-S352 PolarHBondContact O-N 2.96Å; Q349-S352 VanDerWaalsContact O-N 3.09Å; Q349-S352 PolarHBondContact O-OG 3.27Å; Q349-E353 WeakPolarHBondContact O-CG 3.2Å; Q349-E353 PolarHBondContact O-N 3Å |
| 350 | K | 90.9 | Very high | 85.3 | Confident | 122 Ų | 122 | 82.2 Ų | 82.2 | 53% | 0.53 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 176.2 | -71.9 | 170.5 | 178.5 | 166.7 | 0 | 112.4 | D346 E353 S354 | D346-K350 WeakPolarHBondContact O-CG 3.33Å; D346-K350 PolarHBondContact O-N 3.5Å; D346-K350 WeakPolarHBondContact OD1-CE 3.15Å; D346-K350 IonicContact OD1-NZ 3.54Å; D346-K350 VanDerWaalsContact OD2-CE 3.29Å; D346-K350 WeakPolarHBondContact OD2-CE 3.25Å; D346-K350 IonicContact OD2-NZ 2.67Å; D346-K350 PolarHBondContact OD2-NZ 3.25Å; K350-E353 PolarHBondContact O-N 2.94Å; K350-S354 PolarHBondContact O-N 3.07Å; K350-S354 VanDerWaalsContact O-N 3.17Å |
| 351 | G | 90 | Very high | 83.4 | Confident | 25 Ų | 25 | 80.9 Ų | 80.9 | 26% | 0.258 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S347 A348 Q349 E353 S354 Y355 | S347-G351 PolarHBondContact O-N 3.39Å; A348-G351 PolarHBondContact O-N 3.28Å; Q349-G351 VanDerWaalsContact C-N 3.3Å; Q349-G351 PolarHBondContact O-N 2.9Å; G351-E353 PolarHBondContact O-N 2.88Å; G351-S354 PolarHBondContact O-N 2.84Å; G351-S354 PolarHBondContact O-OG 3.02Å; G351-Y355 WeakPolarHBondContact O-CD2 3.39Å; G351-Y355 PolarHBondContact O-N 3.27Å |
| 352 | S | 87.9 | Confident | 81.4 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 179 | 74.8 | 0 | 0 | 0 | 0 | 113.5 | A348 Q349 S354 Y355 L356 | A348-S352 WeakPolarHBondContact O-CB 3.5Å; A348-S352 PolarHBondContact O-N 3.46Å; Q349-S352 PolarHBondContact O-N 2.96Å; Q349-S352 VanDerWaalsContact O-N 3.09Å; Q349-S352 PolarHBondContact O-OG 3.27Å; S352-S354 VanDerWaalsContact C-N 3.32Å; S352-S354 PolarHBondContact O-N 3.26Å; S352-Y355 PolarHBondContact O-N 3.24Å; S352-L356 PolarHBondContact O-N 3.34Å |
| 353 | E | 86.6 | Confident | 79.3 | Confident | 113 Ų | 113 | 89.1 Ų | 89.1 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.9 | -71.1 | 175.1 | -176.7 | 0 | 0 | 111.9 | Q349 K350 G351 Y355 L356 L357 | Q349-E353 WeakPolarHBondContact O-CG 3.2Å; Q349-E353 PolarHBondContact O-N 3Å; K350-E353 PolarHBondContact O-N 2.94Å; G351-E353 PolarHBondContact O-N 2.88Å; E353-Y355 VanDerWaalsContact C-N 3.33Å; E353-Y355 PolarHBondContact O-N 2.96Å; E353-L356 PolarHBondContact O-N 3.4Å; E353-L357 PolarHBondContact O-N 3.4Å |
| 354 | S | 82.2 | Confident | 76.9 | Confident | 64 Ų | 64 | 86.2 Ų | 86.2 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 177 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | K350 G351 S352 L357 S358 | K350-S354 PolarHBondContact O-N 3.07Å; K350-S354 VanDerWaalsContact O-N 3.17Å; G351-S354 PolarHBondContact O-N 2.84Å; G351-S354 PolarHBondContact O-OG 3.02Å; S352-S354 VanDerWaalsContact C-N 3.32Å; S352-S354 PolarHBondContact O-N 3.26Å; S354-L357 PolarHBondContact O-N 3.01Å; S354-S358 WeakPolarHBondContact O-CB 3.5Å; S354-S358 PolarHBondContact O-N 3.23Å |
| 355 | Y | 78.7 | Confident | 74.3 | Confident | 175 Ų | 175 | 85.5 Ų | 85.5 | 69% | 0.686 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.2 | -37.4 | 175.3 | -72.6 | -71.6 | 0 | 0 | 0 | 112.1 | G351 S352 E353 T359 | G351-Y355 WeakPolarHBondContact O-CD2 3.39Å; G351-Y355 PolarHBondContact O-N 3.27Å; S352-Y355 PolarHBondContact O-N 3.24Å; E353-Y355 VanDerWaalsContact C-N 3.33Å; E353-Y355 PolarHBondContact O-N 2.96Å; Y355-T359 WeakPolarHBondContact O-CB 3.4Å; Y355-T359 PolarHBondContact O-N 2.96Å; Y355-T359 VanDerWaalsContact O-N 3.1Å; Y355-T359 PolarHBondContact O-OG1 3.21Å |
| 356 | L | 77.7 | Confident | 71.7 | Confident | 117 Ų | 117 | 89.1 Ų | 89.1 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -41.1 | 176.9 | -65.2 | 178.1 | 0 | 0 | 0 | 111.7 | S352 E353 T359 Q360 | S352-L356 PolarHBondContact O-N 3.34Å; E353-L356 PolarHBondContact O-N 3.4Å; L356-T359 PolarHBondContact O-N 3.43Å; L356-Q360 PolarHBondContact O-N 3.33Å; L356-Q360 VanDerWaalsContact O-N 3.13Å |
| 357 | L | 70.9 | Confident | 69.2 | Low | 117 Ų | 117 | 91.6 Ų | 91.6 | 61% | 0.613 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.2 | -43.2 | 176.3 | -74.5 | 162.8 | 0 | 0 | 0 | 112.1 | E353 S354 T359 Q360 A361 | E353-L357 PolarHBondContact O-N 3.4Å; S354-L357 PolarHBondContact O-N 3.01Å; L357-T359 PolarHBondContact O-N 3.35Å; L357-Q360 PolarHBondContact O-N 3Å; L357-Q360 VanDerWaalsContact O-N 3.13Å; L357-A361 PolarHBondContact O-N 2.9Å |
| 358 | S | 62.8 | Low | 66.5 | Low | 64 Ų | 64 | 92.7 Ų | 92.7 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -30.4 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | S354 N362 | S354-S358 WeakPolarHBondContact O-CB 3.5Å; S354-S358 PolarHBondContact O-N 3.23Å; S358-N362 VanDerWaalsContact O-CG 3.31Å; S358-N362 PolarHBondContact O-N 2.99Å |
| 359 | T | 60.2 | Low | 63.7 | Low | 90 Ų | 90 | 93.2 Ų | 93.2 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.9 | -30.8 | 176.2 | -52 | 0 | 0 | 0 | 0 | 111.9 | Y355 L356 L357 T363 | Y355-T359 WeakPolarHBondContact O-CB 3.4Å; Y355-T359 PolarHBondContact O-N 2.96Å; Y355-T359 VanDerWaalsContact O-N 3.1Å; Y355-T359 PolarHBondContact O-OG1 3.21Å; L356-T359 PolarHBondContact O-N 3.43Å; L357-T359 PolarHBondContact O-N 3.35Å; T359-T363 WeakPolarHBondContact O-CG2 3.37Å; T359-T363 PolarHBondContact O-OG1 3.49Å |
| 360 | Q | 57.4 | Low | 61.2 | Low | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.3 | -35.6 | 172.5 | -80.9 | -176.2 | 45.2 | 0 | 0 | 113.4 | L356 L357 N362 T363 T364 | L356-Q360 PolarHBondContact O-N 3.33Å; L356-Q360 VanDerWaalsContact O-N 3.13Å; L357-Q360 PolarHBondContact O-N 3Å; L357-Q360 VanDerWaalsContact O-N 3.13Å; Q360-N362 VanDerWaalsContact C-N 3.31Å; Q360-N362 PolarHBondContact O-N 2.98Å; Q360-T363 WeakPolarHBondContact CA-OG1 3.5Å; Q360-T363 PolarHBondContact O-N 2.86Å; Q360-T363 PolarHBondContact O-OG1 3.25Å; Q360-T363 VanDerWaalsContact O-OG1 3.07Å; Q360-T364 PolarHBondContact O-N 3.05Å; Q360-T364 PolarHBondContact O-OG1 3.36Å |
| 361 | A | 55.9 | Low | 58.9 | Low | 57 Ų | 57 | 96.3 Ų | 96.3 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.4 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L357 T363 T364 | L357-A361 PolarHBondContact O-N 2.9Å; A361-T363 VanDerWaalsContact C-N 3.25Å; A361-T363 PolarHBondContact O-N 3.47Å; A361-T364 PolarHBondContact O-OG1 3.08Å |
| 362 | N | 52.4 | Low | 56.2 | Low | 129 Ų | 129 | 101.1 Ų | 101.1 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.7 | -7.9 | 178.3 | -66.7 | -6.1 | 0 | 0 | 0 | 113.7 | S358 Q360 | S358-N362 VanDerWaalsContact O-CG 3.31Å; S358-N362 PolarHBondContact O-N 2.99Å; Q360-N362 VanDerWaalsContact C-N 3.31Å; Q360-N362 PolarHBondContact O-N 2.98Å |
| 363 | T | 50.4 | Low | 54.1 | Low | 98 Ų | 98 | 104.1 Ų | 104.1 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -106.7 | -6.4 | 179.3 | 48 | 0 | 0 | 0 | 0 | 114.1 | T359 Q360 A361 | T359-T363 WeakPolarHBondContact O-CG2 3.37Å; T359-T363 PolarHBondContact O-OG1 3.49Å; Q360-T363 WeakPolarHBondContact CA-OG1 3.5Å; Q360-T363 PolarHBondContact O-N 2.86Å; Q360-T363 PolarHBondContact O-OG1 3.25Å; Q360-T363 VanDerWaalsContact O-OG1 3.07Å; A361-T363 VanDerWaalsContact C-N 3.25Å; A361-T363 PolarHBondContact O-N 3.47Å |
| 364 | T | 45.9 | Very low | 51.8 | Low | 91 Ų | 91 | 108.4 Ų | 108.4 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -100.3 | -11.1 | 179.3 | 39 | 0 | 0 | 0 | 0 | 114.5 | Q360 A361 A366 | Q360-T364 PolarHBondContact O-N 3.05Å; Q360-T364 PolarHBondContact O-OG1 3.36Å; A361-T364 PolarHBondContact O-OG1 3.08Å; T364-A366 VanDerWaalsContact C-N 3.29Å; T364-A366 PolarHBondContact O-N 2.85Å |
| 365 | A | 40.4 | Very low | 50 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -6.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 366 | A | 41.1 | Very low | 48.3 | Very low | 99 Ų | 99 | 109.4 Ų | 109.4 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 7.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T364 | T364-A366 VanDerWaalsContact C-N 3.29Å; T364-A366 PolarHBondContact O-N 2.85Å |
| 367 | S | 42.1 | Very low | 46.5 | Very low | 105 Ų | 105 | 110.6 Ų | 110.6 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -124.2 | 14.6 | 179.5 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 368 | A | 37.7 | Very low | 45.2 | Very low | 97 Ų | 97 | 111.9 Ų | 111.9 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -106.4 | 31.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 369 | G | 34.8 | Very low | 44.4 | Very low | 74 Ų | 74 | 114.7 Ų | 114.7 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | -145 | 76.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 370 | A | 40.3 | Very low | 43.4 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 87% | 0.868 | 73% | 0.727 | S | S | * | * | trans | -157.7 | 78.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 371 | S | 41.1 | Very low | 42.9 | Very low | 119 Ų | 119 | 116.4 Ų | 116.4 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -63 | 140.4 | 164.5 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 372 | D | 33.8 | Very low | 42.2 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | trans | 71 | 107.2 | 143 | -154.4 | 22.1 | 0 | 0 | 0 | 119.5 | ||||
| 373 | C | 43.4 | Very low | 41.5 | Very low | 126 Ų | 126 | 117 Ų | 117 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | 175.3 | 83.9 | 149.4 | -88 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 374 | R | 38.5 | Very low | 41.3 | Very low | 203 Ų | 203 | 120.1 Ų | 120.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | 52.5 | 121.2 | 91.6 | -72.7 | -169.4 | 178.2 | -170 | -1.3 | 116.2 | |||||
| 375 | Q | 44 | Very low | 40.8 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | 86.2 | 109.1 | 149.2 | -64.1 | 170.2 | 17.8 | 0 | 0 | 116.7 | ||||
| 376 | S | 44.2 | Very low | 40.5 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 93.9 | 139.9 | 101.1 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 377 | D | 40.4 | Very low | 40.2 | Very low | 142 Ų | 142 | 123 Ų | 123 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | cis | -166.3 | 157.9 | -11.3 | -95.5 | -45.6 | 0 | 0 | 0 | 103.1 | ||||
| 378 | D | 42 | Very low | 39.9 | Very low | 144 Ų | 144 | 123.8 Ų | 123.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 78.6 | 123.4 | 145.1 | -76.1 | -44.1 | 0 | 0 | 0 | 124.7 | ||||
| 379 | V | 47.1 | Very low | 40.4 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 92.1 | 88.8 | 133.8 | -176.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 380 | D | 37.8 | Very low | 40.7 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | 29.4 | 109.5 | 111.7 | -148.3 | 1.5 | 0 | 0 | 0 | 119.9 | |||||
| 381 | S | 47.5 | Very low | 41 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | 171.2 | 151.9 | 118.8 | -108.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 382 | P | 41.5 | Very low | 41.5 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -99.4 | 142.9 | -165.7 | 37.1 | -29.4 | 0 | 0 | 0 | 113.1 | ||||
| 383 | G | 36.8 | Very low | 42.6 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -179.1 | 113 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 384 | N | 46.5 | Very low | 43.9 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | 92.9 | 120.1 | 152.9 | -116.1 | 3 | 0 | 0 | 0 | 119.8 | ||||
| 385 | P | 36.7 | Very low | 46.1 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -94.4 | 106.2 | -179.8 | 35.6 | -26.5 | 0 | 0 | 0 | 110.3 | ||||
| 386 | C | 33.8 | Very low | 48.2 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -157.8 | 129.5 | 159.2 | -156.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 387 | A | 35.4 | Very low | 50.1 | Low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 73.3 | 65.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | I389 | A387-I389 PolarHBondContact O-N 3.14Š| ||
| 388 | T | 35.9 | Very low | 52.2 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -94.3 | 79.7 | 159.4 | -36.7 | 0 | 0 | 0 | 0 | 110.1 | T390 | T388-T390 HydrophobicContact CG2-CG2 3.73Å; T388-T390 PolarHBondContact O-N 3.41Å | ||
| 389 | I | 46.4 | Very low | 54.5 | Low | 160 Ų | 160 | 124.5 Ų | 124.5 | 82% | 0.821 | 70% | 0.704 | S | S | * | * | trans | -66.6 | 90.6 | 152.2 | -62.6 | 173.3 | 0 | 0 | 0 | 104.5 | A387 T391 | A387-I389 PolarHBondContact O-N 3.14Å; I389-T391 PolarHBondContact O-N 3.38Å; I389-T391 VanDerWaalsContact O-N 3.12Å | ||
| 390 | T | 42.2 | Very low | 56.2 | Low | 95 Ų | 95 | 120.8 Ų | 120.8 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | trans | -54.5 | 121.5 | 177.1 | 41.7 | 0 | 0 | 0 | 0 | 108.2 | T388 K392 | T388-T390 HydrophobicContact CG2-CG2 3.73Å; T388-T390 PolarHBondContact O-N 3.41Å; T390-K392 PolarHBondContact O-N 2.85Å | ||
| 391 | T | 46.5 | Very low | 58.5 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 84% | 0.84 | 68% | 0.681 | S | S | * | * | trans | -60.7 | 76.3 | 177.7 | 42.6 | 0 | 0 | 0 | 0 | 109.8 | I389 K393 | I389-T391 PolarHBondContact O-N 3.38Å; I389-T391 VanDerWaalsContact O-N 3.12Å; T391-K393 PolarHBondContact O-N 3.03Å | ||
| 392 | K | 50.7 | Low | 60.3 | Low | 176 Ų | 176 | 120.5 Ų | 120.5 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -59.3 | 108.6 | 165.8 | -70.8 | -176 | -179.2 | 179.1 | 0 | 105.9 | T390 T394 | T390-K392 PolarHBondContact O-N 2.85Å; K392-T394 WeakPolarHBondContact O-CG2 3.31Å; K392-T394 PolarHBondContact O-N 2.79Å | ||
| 393 | K | 56.8 | Low | 62.5 | Low | 198 Ų | 198 | 122.7 Ų | 122.7 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | trans | -32.4 | 99.2 | 172.4 | -69.3 | 171.3 | 178 | 178 | 0 | 109.1 | T391 R395 | T391-K393 PolarHBondContact O-N 3.03Å; K393-R395 PolarHBondContact O-N 3.45Å; K393-R395 VanDerWaalsContact O-N 3.11Å | ||
| 394 | T | 70.6 | Confident | 64.9 | Low | 89 Ų | 89 | 121.7 Ų | 121.7 | 55% | 0.546 | 65% | 0.647 | S | S | . | * | trans | -71.2 | 113.2 | -174 | 40.3 | 0 | 0 | 0 | 0 | 107.2 | K392 K403 | K392-T394 WeakPolarHBondContact O-CG2 3.31Å; K392-T394 PolarHBondContact O-N 2.79Å; T394-K403 WeakPolarHBondContact O-CB 3.3Å; T394-K403 PolarHBondContact O-N 2.91Å | ||
| 395 | R | 85.7 | Confident | 66.8 | Low | 196 Ų | 196 | 121 Ų | 121 | 74% | 0.74 | 64% | 0.639 | S | S | * | * | B | Isolated β-bridge | trans | -82.4 | 145.8 | 172.6 | -63 | -177 | -173.3 | -175 | 1.5 | 108.4 | K393 F397 R401 | K393-R395 PolarHBondContact O-N 3.45Å; K393-R395 VanDerWaalsContact O-N 3.11Å; R395-F397 PolarHBondContact O-N 3.46Å; R395-R401 CarbonylContact C-O 3.41Å; R395-R401 WeakPolarHBondContact CA-O 3.43Å; R395-R401 WeakPolarHBondContact CB-O 3.28Å |
| 396 | C | 87.7 | Confident | 68.9 | Low | 20 Ų | 20 | 122.4 Ų | 122.4 | 14% | 0.135 | 63% | 0.628 | C | S | . | * | trans | -59.3 | 128.8 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | F398 G400 R401 H404 | C396-F398 PolarHBondContact O-N 2.84Å; C396-G400 VanDerWaalsContact O-CA 3.31Å; C396-G400 WeakPolarHBondContact O-CA 3.36Å; C396-G400 PolarHBondContact O-N 2.97Å; C396-R401 PolarHBondContact N-O 3.3Å; C396-H404 WeakPolarHBondContact CB-CE1 3.3Å; C396-H404 PolarHBondContact SG-CE1 3.5Å; C396-H404 PolarHBondContact SG-NE2 3.45Å | ||
| 397 | F | 85.1 | Confident | 71.4 | Confident | 202 Ų | 202 | 119.6 Ų | 119.6 | 89% | 0.886 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -24.3 | -174.6 | -143.5 | -93.3 | 0 | 0 | 0 | 113.2 | R395 | R395-F397 PolarHBondContact O-N 3.46Š|
| 398 | F | 84.1 | Confident | 73.7 | Confident | 104 Ų | 104 | 119.2 Ų | 119.2 | 46% | 0.456 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | -44.3 | -174.7 | -69.1 | -90.6 | 0 | 0 | 0 | 113.3 | C396 R406 A411 | C396-F398 PolarHBondContact O-N 2.84Å; F398-R406 VanDerWaalsContact CZ-NH2 3.28Å; F398-A411 HydrophobicContact CB-CB 4.18Å |
| 399 | C | 89.9 | Confident | 76.2 | Confident | 34 Ų | 34 | 113.9 Ų | 113.9 | 23% | 0.23 | 57% | 0.574 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -113 | 0.3 | -177.1 | 73.3 | 0 | 0 | 0 | 0 | 114.8 | R401 H404 P410 A411 | C399-R401 PolarHBondContact O-N 3.01Å; C399-R401 VanDerWaalsContact O-N 3.1Å; C399-H404 PolarHBondContact SG-CE1 3.3Å; C399-P410 HydrophobicContact CB-CG 4.09Å; C399-A411 HydrophobicContact CB-CB 3.77Å |
| 400 | G | 83.2 | Confident | 78.1 | Confident | 45 Ų | 45 | 110.5 Ų | 110.5 | 46% | 0.464 | 56% | 0.562 | S | S | . | * | trans | 71.3 | 0.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | C396 | C396-G400 VanDerWaalsContact O-CA 3.31Å; C396-G400 WeakPolarHBondContact O-CA 3.36Å; C396-G400 PolarHBondContact O-N 2.97Å | ||
| 401 | R | 84.8 | Confident | 80.1 | Confident | 156 Ų | 156 | 107.1 Ų | 107.1 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -77.7 | 178 | 177.9 | -58.5 | -177.4 | -160.6 | -137 | 4.1 | 112.1 | R395 C396 C399 | R395-R401 CarbonylContact C-O 3.41Å; R395-R401 WeakPolarHBondContact CA-O 3.43Å; R395-R401 WeakPolarHBondContact CB-O 3.28Å; C396-R401 PolarHBondContact N-O 3.3Å; C399-R401 PolarHBondContact O-N 3.01Å; C399-R401 VanDerWaalsContact O-N 3.1Å |
| 402 | S | 86.7 | Confident | 81.8 | Confident | 95 Ų | 95 | 106.9 Ų | 106.9 | 66% | 0.664 | 53% | 0.527 | S | S | * | . | B | Isolated β-bridge | trans | -53.7 | 154.8 | 169.9 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | H404 | S402-H404 PolarHBondContact O-N 3.43Å; S402-H404 PolarHBondContact O-ND1 3.4Å |
| 403 | K | 86.2 | Confident | 83.1 | Confident | 168 Ų | 168 | 106.6 Ų | 106.6 | 73% | 0.73 | 53% | 0.529 | S | S | * | . | trans | -51.3 | 126.2 | 179.3 | -164.9 | -177.1 | -174.7 | -178.1 | 0 | 111.3 | T394 | T394-K403 WeakPolarHBondContact O-CB 3.3Å; T394-K403 PolarHBondContact O-N 2.91Å | ||
| 404 | H | 88.6 | Confident | 83.7 | Confident | 55 Ų | 55 | 100 Ų | 100 | 26% | 0.255 | 51% | 0.511 | S | S | . | . | trans | -144.2 | 162.2 | 172.7 | 50.2 | -87.1 | 0 | 0 | 0 | 109.6 | C396 C399 S402 C409 | C396-H404 WeakPolarHBondContact CB-CE1 3.3Å; C396-H404 PolarHBondContact SG-CE1 3.5Å; C396-H404 PolarHBondContact SG-NE2 3.45Å; C399-H404 PolarHBondContact SG-CE1 3.3Å; S402-H404 PolarHBondContact O-N 3.43Å; S402-H404 PolarHBondContact O-ND1 3.4Å; H404-C409 VanDerWaalsContact NE2-CA 3.31Å; H404-C409 WeakPolarHBondContact NE2-CA 3.43Å; H404-C409 VanDerWaalsContact NE2-CB 3.33Å; H404-C409 WeakPolarHBondContact NE2-CB 3.28Å; H404-C409 PolarHBondContact NE2-SG 3.3Å | ||
| 405 | E | 84.9 | Confident | 82.9 | Confident | 151 Ų | 151 | 108.6 Ų | 108.6 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | trans | -65.2 | 146.5 | 172.6 | -67.8 | -175.9 | 171.5 | 0 | 0 | 111.2 | A407 S408 | E405-A407 PolarHBondContact O-N 2.98Å; E405-A407 VanDerWaalsContact O-N 3.08Å; E405-S408 PolarHBondContact O-N 3.28Å | ||
| 406 | R | 82 | Confident | 82.8 | Confident | 148 Ų | 148 | 104.2 Ų | 104.2 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -56.8 | -29.5 | -176.9 | -166.6 | 166.7 | -151.5 | -109.6 | -4.7 | 113.1 | F398 S408 C409 R412 | F398-R406 VanDerWaalsContact CZ-NH2 3.28Å; R406-S408 PolarHBondContact O-N 3.05Å; R406-C409 WeakPolarHBondContact O-CB 3.46Å; R406-C409 PolarHBondContact O-N 2.74Å; R406-R412 WeakPolarHBondContact O-CD 3.24Å |
| 407 | A | 85.4 | Confident | 82.5 | Confident | 67 Ų | 67 | 108.6 Ų | 108.6 | 55% | 0.554 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -62 | -31.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E405 | E405-A407 PolarHBondContact O-N 2.98Å; E405-A407 VanDerWaalsContact O-N 3.08Å |
| 408 | S | 84.4 | Confident | 82.3 | Confident | 86 Ų | 86 | 103.4 Ų | 103.4 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -99.2 | 9.8 | -177.3 | -52 | 0 | 0 | 0 | 0 | 112.9 | E405 R406 P410 | E405-S408 PolarHBondContact O-N 3.28Å; R406-S408 PolarHBondContact O-N 3.05Å; S408-P410 WeakPolarHBondContact O-CD 3.15Å |
| 409 | C | 88.8 | Confident | 82.2 | Confident | 9 Ų | 9 | 103.4 Ų | 103.4 | 6% | 0.061 | 54% | 0.543 | C | S | . | . | trans | -80.6 | 122 | 178.7 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | H404 R406 A411 R412 | H404-C409 VanDerWaalsContact NE2-CA 3.31Å; H404-C409 WeakPolarHBondContact NE2-CA 3.43Å; H404-C409 VanDerWaalsContact NE2-CB 3.33Å; H404-C409 WeakPolarHBondContact NE2-CB 3.28Å; H404-C409 PolarHBondContact NE2-SG 3.3Å; R406-C409 WeakPolarHBondContact O-CB 3.46Å; R406-C409 PolarHBondContact O-N 2.74Å; C409-A411 PolarHBondContact O-N 3.21Å; C409-A411 VanDerWaalsContact O-N 3.16Å; C409-A411 PolarHBondContact SG-N 3.28Å; C409-A411 VanDerWaalsContact SG-N 3.4Å; C409-R412 HydrophobicContact CB-CB 4.33Å; C409-R412 WeakPolarHBondContact O-CB 3.3Å; C409-R412 PolarHBondContact O-N 3.5Å; C409-R412 VanDerWaalsContact O-N 3.1Å | ||
| 410 | P | 85.7 | Confident | 81.8 | Confident | 89 Ų | 89 | 107.8 Ų | 107.8 | 58% | 0.578 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -15.4 | 175 | 23.2 | -30.2 | 0 | 0 | 0 | 113.3 | C399 S408 | C399-P410 HydrophobicContact CB-CG 4.09Å; S408-P410 WeakPolarHBondContact O-CD 3.15Å |
| 411 | A | 85 | Confident | 81.7 | Confident | 24 Ų | 24 | 111.9 Ų | 111.9 | 20% | 0.198 | 57% | 0.569 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -105.5 | 33.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F398 C399 C409 E413 | F398-A411 HydrophobicContact CB-CB 4.18Å; C399-A411 HydrophobicContact CB-CB 3.77Å; C409-A411 PolarHBondContact O-N 3.21Å; C409-A411 VanDerWaalsContact O-N 3.16Å; C409-A411 PolarHBondContact SG-N 3.28Å; C409-A411 VanDerWaalsContact SG-N 3.4Å; A411-E413 PolarHBondContact O-N 3.33Å |
| 412 | R | 81.7 | Confident | 81.5 | Confident | 132 Ų | 132 | 108.8 Ų | 108.8 | 50% | 0.498 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.2 | -26.3 | -175.5 | 179.3 | 176.7 | 128.1 | -176.9 | -0.9 | 113.7 | R406 C409 | R406-R412 WeakPolarHBondContact O-CD 3.24Å; C409-R412 HydrophobicContact CB-CB 4.33Å; C409-R412 WeakPolarHBondContact O-CB 3.3Å; C409-R412 PolarHBondContact O-N 3.5Å; C409-R412 VanDerWaalsContact O-N 3.1Å |
| 413 | E | 77.9 | Confident | 81.1 | Confident | 171 Ų | 171 | 109.8 Ų | 109.8 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 15.4 | -174.7 | -60 | -172.4 | 170.3 | 0 | 0 | 113.8 | A411 E415 | A411-E413 PolarHBondContact O-N 3.33Å; E413-E415 PolarHBondContact O-N 3.19Å |
| 414 | A | 70.2 | Confident | 80.6 | Confident | 59 Ų | 59 | 105 Ų | 105 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | trans | -77.8 | 112.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 415 | E | 53 | Low | 79.9 | Confident | 269 Ų | 269 | 109.5 Ų | 109.5 | 100% | 1.257 | 57% | 0.573 | S | S | * | * | trans | -64.9 | 0 | 172.1 | -74.6 | -173.3 | 149 | 0 | 0 | 113.1 | E413 | E413-E415 PolarHBondContact O-N 3.19Š|
Retrieved 415 of 415 residues in 378.4 ms
(Link to these results)