| 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 | 37.6 | Very low | 37.9 | Very low | 237 Ų | 237 | 173.7 Ų | 173.7 | 100% | 1.167 | 87% | 0.87 | S | S | * | * | 0 | 129.9 | 0 | -81 | -149.5 | -90 | 0 | 0 | 109.6 | |||||
| 2 | R | 38.1 | Very low | 37.2 | Very low | 243 Ų | 243 | 167.8 Ų | 167.8 | 92% | 0.917 | 87% | 0.868 | S | S | * | * | trans | 59.9 | 104 | 161.7 | -65.4 | -176.4 | -179.9 | -175.1 | 0.4 | 120.5 | ||||
| 3 | R | 35.9 | Very low | 36.7 | Very low | 241 Ų | 241 | 164.7 Ų | 164.7 | 91% | 0.909 | 87% | 0.865 | S | S | * | * | -84.3 | -176.5 | 129.7 | -92.7 | -169.5 | -177 | -171.7 | 2.2 | 108.5 | |||||
| 4 | P | 45.4 | Very low | 36.2 | Very low | 110 Ų | 110 | 169.1 Ų | 169.1 | 71% | 0.714 | 86% | 0.864 | S | S | * | * | cis | -128.3 | -173.3 | -11.2 | 20.7 | 6.5 | 0 | 0 | 0 | 110.7 | ||||
| 5 | R | 38 | Very low | 36 | Very low | 249 Ų | 249 | 167.1 Ų | 167.1 | 94% | 0.94 | 87% | 0.867 | S | S | * | * | 172.8 | 151.1 | 69.5 | -131.7 | -175.1 | -168 | -173.2 | 3.3 | 109 | |||||
| 6 | G | 41.3 | Very low | 35.5 | Very low | 76 Ų | 76 | 164.2 Ų | 164.2 | 78% | 0.784 | 86% | 0.859 | S | S | * | * | trans | 130.2 | 96.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 7 | E | 36.3 | Very low | 35.1 | Very low | 184 Ų | 184 | 166.2 Ų | 166.2 | 86% | 0.86 | 86% | 0.863 | S | S | * | * | trans | -77.9 | 171.1 | 160.7 | -67.3 | -162.3 | 144.9 | 0 | 0 | 111.7 | ||||
| 8 | P | 39.5 | Very low | 34.7 | Very low | 129 Ų | 129 | 161.4 Ų | 161.4 | 84% | 0.838 | 86% | 0.861 | S | S | * | * | -148.7 | 141.2 | 97.2 | 35 | -16.8 | 0 | 0 | 0 | 117 | |||||
| 9 | G | 35.9 | Very low | 34.4 | Very low | 63 Ų | 63 | 158.2 Ų | 158.2 | 65% | 0.649 | 86% | 0.859 | S | S | * | * | 79.9 | 154.8 | 126.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 10 | P | 34.5 | Very low | 34 | Very low | 132 Ų | 132 | 157.4 Ų | 157.4 | 86% | 0.857 | 86% | 0.859 | S | S | * | * | -117.2 | 149.8 | -127.6 | 35.8 | -23.7 | 0 | 0 | 0 | 115.8 | |||||
| 11 | R | 34.7 | Very low | 33.6 | Very low | 247 Ų | 247 | 156.2 Ų | 156.2 | 93% | 0.932 | 86% | 0.862 | S | S | * | * | trans | -137.6 | 131.8 | 159.5 | -83 | -173.5 | -175 | 177 | 2.7 | 110.2 | ||||
| 12 | A | 29.6 | Very low | 33.1 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | trans | -64.7 | 145.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 13 | P | 30.8 | Very low | 32.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -120.6 | 158.2 | 153 | 29.4 | -12.3 | 0 | 0 | 0 | 113.3 | ||||
| 14 | R | 28.9 | Very low | 32.1 | Very low | 227 Ų | 227 | 136.4 Ų | 136.4 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -58.4 | 155.9 | -173.2 | -62.2 | 168.6 | 174.8 | 172.7 | -2.7 | 114.1 | T16 | R14-T16 PolarHBondContact O-N 3.05Å; R14-T16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | P | 33.6 | Very low | 31.1 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 90% | 0.903 | 84% | 0.836 | S | S | * | * | trans | -80.9 | 95 | 172.8 | 32.6 | -28.9 | 0 | 0 | 0 | 110.3 | ||||
| 16 | T | 28.7 | Very low | 30.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | trans | -92.2 | 135.4 | 151.5 | 25 | 0 | 0 | 0 | 0 | 108.9 | R14 | R14-T16 PolarHBondContact O-N 3.05Å; R14-T16 VanDerWaalsContact O-N 3.11Å | ||
| 17 | E | 27.2 | Very low | 29.6 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | 61.3 | 108.7 | 154.9 | -61.4 | -177.8 | 157.4 | 0 | 0 | 119.1 | ||||
| 18 | G | 27.9 | Very low | 29.1 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -176.1 | 131.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 19 | A | 30.2 | Very low | 28.4 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | cis | -143.9 | 125.1 | 19.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 20 | T | 25.1 | Very low | 28.1 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -67.4 | 121.4 | 156.4 | 21 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 21 | C | 25.9 | Very low | 28 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 91% | 0.905 | 76% | 0.76 | S | S | * | * | trans | -151.2 | 84.3 | 153.3 | -89.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 22 | A | 28.4 | Very low | 27.8 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -139.8 | 95.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 23 | G | 26 | Very low | 28.4 | Very low | 71 Ų | 71 | 113.6 Ų | 113.6 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | trans | -71.6 | 157.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 24 | P | 26 | Very low | 29.2 | Very low | 132 Ų | 132 | 107.6 Ų | 107.6 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | trans | -89 | 149.1 | -167.7 | 35.6 | -32 | 0 | 0 | 0 | 112.3 | ||||
| 25 | G | 24.3 | Very low | 30.1 | Very low | 72 Ų | 72 | 97 Ų | 97 | 74% | 0.742 | 63% | 0.634 | S | S | * | * | trans | 87.4 | 103.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 26 | E | 24.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 90.7 Ų | 90.7 | 75% | 0.748 | 59% | 0.592 | S | S | * | * | trans | -175.5 | 100.4 | 140.2 | -107.4 | 178.1 | -160 | 0 | 0 | 110.2 | W28 | E26-W28 VanDerWaalsContact CD-NE1 3.3Å; E26-W28 PolarHBondContact O-N 2.77Å; E26-W28 VanDerWaalsContact O-N 3.09Å; E26-W28 PolarHBondContact OE2-NE1 2.91Å | ||
| 27 | S | 24.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 87.5 Ų | 87.5 | 87% | 0.874 | 57% | 0.566 | S | S | * | * | trans | -75.6 | 85 | 177.1 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 28 | W | 26.5 | Very low | 32.2 | Very low | 185 Ų | 185 | 79.8 Ų | 79.8 | 70% | 0.701 | 53% | 0.533 | S | S | * | . | trans | -102.8 | 105.5 | 173.4 | -65.3 | 101.5 | 0 | 0 | 0 | 111.5 | E26 | E26-W28 VanDerWaalsContact CD-NE1 3.3Å; E26-W28 PolarHBondContact O-N 2.77Å; E26-W28 VanDerWaalsContact O-N 3.09Å; E26-W28 PolarHBondContact OE2-NE1 2.91Å | ||
| 29 | S | 24.5 | Very low | 32.9 | Very low | 83 Ų | 83 | 76.7 Ų | 76.7 | 58% | 0.58 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 122.1 | 168.7 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | R37 | S29-R37 VanDerWaalsContact CB-NH2 3.32Š|
| 30 | P | 29.9 | Very low | 33.3 | Very low | 24 Ų | 24 | 74.4 Ų | 74.4 | 16% | 0.156 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 156.2 | 169.4 | -13.6 | 22.4 | 0 | 0 | 0 | 110.4 | R37 I353 | P30-R37 HydrophobicContact CB-CB 4.06Å; P30-R37 HydrophobicContact CB-CG 3.75Å; P30-R37 HydrophobicContact CG-CB 4.26Å; P30-R37 HydrophobicContact CG-CG 3.73Å; P30-R37 WeakPolarHBondContact O-CD 3.31Å; P30-R37 PolarHBondContact O-NE 2.89Å; P30-R37 PolarHBondContact O-NH1 3.27Å; P30-I353 HydrophobicContact CB-CD1 3.61Å; P30-I353 HydrophobicContact CG-CD1 3.87Å |
| 31 | S | 32.3 | Very low | 33.9 | Very low | 39 Ų | 39 | 70.1 Ų | 70.1 | 27% | 0.273 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 144.6 | 173.4 | 72.8 | 0 | 0 | 0 | 0 | 111 | N33 S34 R37 | S31-N33 PolarHBondContact O-N 2.8Å; S31-S34 WeakPolarHBondContact O-CB 3.09Å; S31-S34 PolarHBondContact O-N 3.23Å; S31-R37 WeakPolarHBondContact O-CD 3.4Å |
| 32 | P | 29.8 | Very low | 34.5 | Very low | 92 Ų | 92 | 65.7 Ų | 65.7 | 60% | 0.597 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -16.3 | -174.8 | 3.1 | -10.7 | 0 | 0 | 0 | 114.9 | ||
| 33 | N | 42.5 | Very low | 34.5 | Very low | 34 Ų | 34 | 68.2 Ų | 68.2 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -0.6 | -179 | -57.2 | -53.1 | 0 | 0 | 0 | 114.2 | S31 M35 Q245 K279 | S31-N33 PolarHBondContact O-N 2.8Å; N33-M35 PolarHBondContact O-N 3.49Å; N33-Q245 PolarHBondContact OD1-NE2 3.36Å; N33-K279 HydrophobicContact CB-CG 4.42Å; N33-K279 VanDerWaalsContact ND2-CE 3.35Å; N33-K279 WeakPolarHBondContact ND2-CE 3.5Å |
| 34 | S | 46.7 | Very low | 34.7 | Very low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 41% | 0.406 | C | S | . | . | trans | -59.8 | 126.8 | 173.4 | 149.6 | 0 | 0 | 0 | 0 | 108.3 | S31 L36 R37 V38 | S31-S34 WeakPolarHBondContact O-CB 3.09Å; S31-S34 PolarHBondContact O-N 3.23Å; S34-L36 PolarHBondContact O-N 3.01Å; S34-L36 WeakPolarHBondContact OG-CB 3.46Å; S34-L36 PolarHBondContact OG-N 3.41Å; S34-R37 CarbonylContact O-C 3.53Å; S34-R37 VanDerWaalsContact O-CA 3.25Å; S34-R37 WeakPolarHBondContact O-CA 3.5Å; S34-R37 VanDerWaalsContact O-CB 3.25Å; S34-R37 WeakPolarHBondContact O-CB 3.4Å; S34-R37 PolarHBondContact O-N 3.39Å; S34-R37 PolarHBondContact OG-N 3.09Å; S34-R37 VanDerWaalsContact OG-N 3.07Å; S34-V38 PolarHBondContact O-N 3.45Å | ||
| 35 | M | 48.6 | Very low | 34.9 | Very low | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.3 | -30.9 | 174.8 | -154 | -178.1 | -58 | 0 | 0 | 111.7 | N33 V38 L39 L282 N317 M320 S321 Q324 Y357 | N33-M35 PolarHBondContact O-N 3.49Å; M35-V38 CarbonylContact O-C 3.51Å; M35-V38 PolarHBondContact O-N 3.26Å; M35-L39 HydrophobicContact CG-CD1 4.39Å; M35-L39 VanDerWaalsContact O-CB 3.26Å; M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 WeakPolarHBondContact O-CD1 3.35Å; M35-L39 WeakPolarHBondContact O-CG 3.37Å; M35-L39 PolarHBondContact O-N 3.46Å; M35-L282 HydrophobicContact CG-CD1 4.32Å; M35-N317 WeakPolarHBondContact CE-O 3.48Å; M35-N317 PolarHBondContact N-OD1 3.16Å; M35-M320 HydrophobicContact CE-CB 3.37Å; M35-M320 HydrophobicContact SD-CB 3.61Å; M35-S321 WeakPolarHBondContact CE-OG 3.31Å; M35-Q324 PolarHBondContact SD-NE2 2.99Å; M35-Y357 VanDerWaalsContact CA-OH 3.24Å; M35-Y357 WeakPolarHBondContact CA-OH 3.46Å; M35-Y357 HydrophobicContact CB-CE1 4.35Å; M35-Y357 WeakPolarHBondContact CB-OH 3.09Å; M35-Y357 PolarHBondContact N-OH 3.21Å |
| 36 | L | 44.5 | Very low | 35.2 | Very low | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 169 | -93.6 | 170 | 0 | 0 | 0 | 111.2 | S34 L39 L40 I353 R356 Y357 | S34-L36 PolarHBondContact O-N 3.01Å; S34-L36 WeakPolarHBondContact OG-CB 3.46Å; S34-L36 PolarHBondContact OG-N 3.41Å; L36-L39 CarbonylContact O-C 3.51Å; L36-L39 PolarHBondContact O-N 3.19Å; L36-L40 HydrophobicContact CB-CD1 4.27Å; L36-L40 HydrophobicContact CD2-CD1 3.62Å; L36-L40 HydrophobicContact CD2-CG 4.05Å; L36-L40 HydrophobicContact CG-CD1 4.46Å; L36-L40 VanDerWaalsContact O-CA 3.25Å; L36-L40 WeakPolarHBondContact O-CA 3.45Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.04Å; L36-I353 HydrophobicContact CB-CG2 4.16Å; L36-I353 HydrophobicContact CD1-CB 4.08Å; L36-I353 HydrophobicContact CD1-CG1 4.38Å; L36-I353 HydrophobicContact CD1-CG2 3.55Å; L36-I353 HydrophobicContact CG-CG2 4.43Å; L36-R356 HydrophobicContact CD1-CB 4.03Å; L36-Y357 HydrophobicContact CB-CE1 4.06Å; L36-Y357 HydrophobicContact CD1-CD1 3.89Å; L36-Y357 HydrophobicContact CD1-CE1 3.63Å; L36-Y357 HydrophobicContact CG-CD1 4.09Å; L36-Y357 HydrophobicContact CG-CE1 3.4Å; L36-Y357 VanDerWaalsContact CG-CE1 3.4Å; L36-Y357 PolarHBondContact N-OH 3.39Å |
| 37 | R | 45.5 | Very low | 35.5 | Very low | 53 Ų | 53 | 65 Ų | 65 | 20% | 0.2 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 165.1 | -121.8 | -153 | 172.2 | 143.3 | -11.8 | 110.4 | S29 P30 S31 S34 L39 L40 S41 | S29-R37 VanDerWaalsContact CB-NH2 3.32Å; P30-R37 HydrophobicContact CB-CB 4.06Å; P30-R37 HydrophobicContact CB-CG 3.75Å; P30-R37 HydrophobicContact CG-CB 4.26Å; P30-R37 HydrophobicContact CG-CG 3.73Å; P30-R37 WeakPolarHBondContact O-CD 3.31Å; P30-R37 PolarHBondContact O-NE 2.89Å; P30-R37 PolarHBondContact O-NH1 3.27Å; S31-R37 WeakPolarHBondContact O-CD 3.4Å; S34-R37 CarbonylContact O-C 3.53Å; S34-R37 VanDerWaalsContact O-CA 3.25Å; S34-R37 WeakPolarHBondContact O-CA 3.5Å; S34-R37 VanDerWaalsContact O-CB 3.25Å; S34-R37 WeakPolarHBondContact O-CB 3.4Å; S34-R37 PolarHBondContact O-N 3.39Å; S34-R37 PolarHBondContact OG-N 3.09Å; S34-R37 VanDerWaalsContact OG-N 3.07Å; R37-L39 PolarHBondContact O-N 3.26Å; R37-L39 VanDerWaalsContact O-N 3.07Å; R37-L40 CarbonylContact O-C 3.46Å; R37-L40 PolarHBondContact O-N 3.4Å; R37-S41 WeakPolarHBondContact CB-OG 3.4Å; R37-S41 WeakPolarHBondContact CG-OG 3.34Å; R37-S41 WeakPolarHBondContact O-CA 3.44Å; R37-S41 WeakPolarHBondContact O-CB 3.2Å; R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 PolarHBondContact O-OG 2.99Å |
| 38 | V | 43.5 | Very low | 35.9 | Very low | 36 Ų | 36 | 68.2 Ų | 68.2 | 22% | 0.218 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.7 | -23.7 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 112.7 | S34 M35 L282 | S34-V38 PolarHBondContact O-N 3.45Å; M35-V38 CarbonylContact O-C 3.51Å; M35-V38 PolarHBondContact O-N 3.26Å; V38-L282 HydrophobicContact CG2-CD2 4.47Å |
| 39 | L | 42 | Very low | 36.2 | Very low | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -93.9 | -19.5 | 172.5 | -66.4 | 166.9 | 0 | 0 | 0 | 113.7 | M35 L36 R37 L390 | M35-L39 HydrophobicContact CG-CD1 4.39Å; M35-L39 VanDerWaalsContact O-CB 3.26Å; M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 WeakPolarHBondContact O-CD1 3.35Å; M35-L39 WeakPolarHBondContact O-CG 3.37Å; M35-L39 PolarHBondContact O-N 3.46Å; L36-L39 CarbonylContact O-C 3.51Å; L36-L39 PolarHBondContact O-N 3.19Å; R37-L39 PolarHBondContact O-N 3.26Å; R37-L39 VanDerWaalsContact O-N 3.07Å; L39-L390 HydrophobicContact CB-CD2 4.22Å; L39-L390 HydrophobicContact CD2-CD1 4.48Å; L39-L390 HydrophobicContact CD2-CD2 4.38Å |
| 40 | L | 39.7 | Very low | 36.2 | Very low | 51 Ų | 51 | 63.9 Ų | 63.9 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -131.6 | 8.1 | -171.2 | -57.1 | 175 | 0 | 0 | 0 | 115 | L36 R37 I391 | L36-L40 HydrophobicContact CB-CD1 4.27Å; L36-L40 HydrophobicContact CD2-CD1 3.62Å; L36-L40 HydrophobicContact CD2-CG 4.05Å; L36-L40 HydrophobicContact CG-CD1 4.46Å; L36-L40 VanDerWaalsContact O-CA 3.25Å; L36-L40 WeakPolarHBondContact O-CA 3.45Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.04Å; R37-L40 CarbonylContact O-C 3.46Å; R37-L40 PolarHBondContact O-N 3.4Å; L40-I391 HydrophobicContact CB-CD1 4.13Å; L40-I391 HydrophobicContact CD2-CD1 4.39Å; L40-I391 HydrophobicContact CD2-CG1 4.14Å; L40-I391 WeakPolarHBondContact O-CD1 3.22Å |
| 41 | S | 37.9 | Very low | 36.2 | Very low | 52 Ų | 52 | 63.4 Ų | 63.4 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | trans | -124.1 | 78.3 | 177.3 | 62 | 0 | 0 | 0 | 0 | 110.9 | R37 Q43 | R37-S41 WeakPolarHBondContact CB-OG 3.4Å; R37-S41 WeakPolarHBondContact CG-OG 3.34Å; R37-S41 WeakPolarHBondContact O-CA 3.44Å; R37-S41 WeakPolarHBondContact O-CB 3.2Å; R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 PolarHBondContact O-OG 2.99Å; S41-Q43 VanDerWaalsContact C-N 3.28Å | ||
| 42 | A | 37.3 | Very low | 36.2 | Very low | 41 Ų | 41 | 66.1 Ų | 66.1 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | trans | -94.4 | 17.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T44 I391 | A42-T44 PolarHBondContact O-N 3.45Å; A42-T44 VanDerWaalsContact O-N 3.16Å; A42-I391 HydrophobicContact CB-CG2 3.94Å | ||
| 43 | Q | 28.4 | Very low | 36.1 | Very low | 155 Ų | 155 | 64.7 Ų | 64.7 | 72% | 0.724 | 37% | 0.37 | S | S | * | . | trans | -83.7 | 82.4 | 171.7 | -71.2 | -156.1 | -1 | 0 | 0 | 110.7 | S41 I391 | S41-Q43 VanDerWaalsContact C-N 3.28Å; Q43-I391 HydrophobicContact CG-CD1 4.31Å | ||
| 44 | T | 31.3 | Very low | 35.7 | Very low | 92 Ų | 92 | 68.7 Ų | 68.7 | 56% | 0.564 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -145.7 | 114.7 | 150.8 | 50.7 | 0 | 0 | 0 | 0 | 106.8 | A42 | A42-T44 PolarHBondContact O-N 3.45Å; A42-T44 VanDerWaalsContact O-N 3.16Å |
| 45 | S | 30.5 | Very low | 34.9 | Very low | 67 Ų | 67 | 74.9 Ų | 74.9 | 47% | 0.469 | 42% | 0.423 | S | S | . | . | trans | 24.3 | 122.9 | 168.6 | 176.2 | 0 | 0 | 0 | 0 | 117.7 | A47 R48 | S45-A47 PolarHBondContact O-N 2.88Å; S45-A47 WeakPolarHBondContact OG-CB 3.39Å; S45-A47 PolarHBondContact OG-N 3.49Å; S45-R48 PolarHBondContact O-N 3.45Å | ||
| 46 | P | 29.7 | Very low | 34 | Very low | 123 Ų | 123 | 76.9 Ų | 76.9 | 80% | 0.799 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -55.7 | -16.6 | 174.7 | 23.5 | -31.2 | 0 | 0 | 0 | 113.3 | R48 | P46-R48 PolarHBondContact O-N 3.39Š|
| 47 | A | 30.6 | Very low | 33.3 | Very low | 85 Ų | 85 | 78 Ų | 78 | 70% | 0.702 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -76.7 | -7.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S45 | S45-A47 PolarHBondContact O-N 2.88Å; S45-A47 WeakPolarHBondContact OG-CB 3.39Å; S45-A47 PolarHBondContact OG-N 3.49Å |
| 48 | R | 32.8 | Very low | 32.6 | Very low | 194 Ų | 194 | 78.4 Ų | 78.4 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -112.7 | -1 | 178.3 | -69.4 | -170.4 | -174.9 | -171.3 | 3.2 | 115.1 | S45 P46 | S45-R48 PolarHBondContact O-N 3.45Å; P46-R48 PolarHBondContact O-N 3.39Å |
| 49 | L | 31.9 | Very low | 31.9 | Very low | 74 Ų | 74 | 84.3 Ų | 84.3 | 39% | 0.387 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -92.2 | -2.2 | -175 | -73.9 | 170.4 | 0 | 0 | 0 | 115.2 | G51 L52 | L49-G51 PolarHBondContact O-N 3.49Å; L49-L52 HydrophobicContact CD2-CD1 4.2Å |
| 50 | S | 26.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 88.4 Ų | 88.4 | 71% | 0.713 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -70.3 | -11.2 | 175.7 | -53.7 | 0 | 0 | 0 | 0 | 114 | ||
| 51 | G | 29.5 | Very low | 30.6 | Very low | 14 Ų | 14 | 90.5 Ų | 90.5 | 14% | 0.144 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -104.8 | 19.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L49 Y218 | L49-G51 PolarHBondContact O-N 3.49Å; G51-Y218 WeakPolarHBondContact O-CE2 3.15Å; G51-Y218 PolarHBondContact O-OH 3.49Å |
| 52 | L | 31.4 | Very low | 30 | Very low | 96 Ų | 96 | 93.9 Ų | 93.9 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | trans | -125 | 9.5 | 177.1 | -80.3 | 167.7 | 0 | 0 | 0 | 113 | L49 L54 R217 | L49-L52 HydrophobicContact CD2-CD1 4.2Å; L52-L54 PolarHBondContact O-N 3.41Å; L52-R217 HydrophobicContact CD2-CB 4.37Å; L52-R217 WeakPolarHBondContact CD2-O 3.12Å | ||
| 53 | L | 28.5 | Very low | 29.7 | Very low | 63 Ų | 63 | 100.2 Ų | 100.2 | 33% | 0.33 | 57% | 0.572 | S | S | . | * | trans | -84.7 | 101.6 | 170.7 | -68 | 169.5 | 0 | 0 | 0 | 107.8 | I55 P56 Y399 | L53-I55 PolarHBondContact O-N 2.9Å; L53-P56 HydrophobicContact CD1-CB 4.39Å; L53-Y399 VanDerWaalsContact CD2-OH 3.24Å; L53-Y399 WeakPolarHBondContact CD2-OH 3.45Å | ||
| 54 | L | 32.9 | Very low | 29.6 | Very low | 117 Ų | 117 | 95.7 Ų | 95.7 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -72 | -7.6 | 163.8 | -101 | 157 | 0 | 0 | 0 | 111.9 | L52 Y218 | L52-L54 PolarHBondContact O-N 3.41Å; L54-Y218 HydrophobicContact CD1-CD1 4.46Å; L54-Y218 HydrophobicContact CD2-CD1 4.47Å; L54-Y218 HydrophobicContact CG-CD1 4.12Å; L54-Y218 HydrophobicContact CG-CE1 4.19Å |
| 55 | I | 30.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 97.9 Ų | 97.9 | 67% | 0.672 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -153.8 | 127.7 | 163.7 | -52.8 | 178.8 | 0 | 0 | 0 | 105.5 | L53 | L53-I55 PolarHBondContact O-N 2.9Š|
| 56 | P | 31 | Very low | 29.5 | Very low | 48 Ų | 48 | 100 Ų | 100 | 31% | 0.312 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 137.5 | 172.8 | -18.2 | 35.8 | 0 | 0 | 0 | 108.9 | L53 V58 H156 | L53-P56 HydrophobicContact CD1-CB 4.39Å; P56-V58 PolarHBondContact O-N 3.22Å; P56-H156 WeakPolarHBondContact CB-CE1 3.38Å; P56-H156 WeakPolarHBondContact CG-CE1 3.49Å; P56-H156 WeakPolarHBondContact CG-ND1 3.46Å |
| 57 | P | 30 | Very low | 29.6 | Very low | 28 Ų | 28 | 103.4 Ų | 103.4 | 18% | 0.182 | 60% | 0.6 | C | S | . | * | P | Polyproline II helix | trans | -63 | 124.7 | 161.9 | 23 | -15.9 | 0 | 0 | 0 | 105.7 | Q59 K398 Y399 | P57-Q59 PolarHBondContact O-N 3.32Å; P57-Q59 VanDerWaalsContact O-N 3.13Å; P57-K398 HydrophobicContact CB-CD 4.38Å; P57-K398 HydrophobicContact CG-CD 4.18Å; P57-K398 VanDerWaalsContact CG-NZ 3.34Å; P57-Y399 HydrophobicContact CB-CD1 4.32Å; P57-Y399 HydrophobicContact CB-CE1 3.34Å; P57-Y399 WeakPolarHBondContact CB-OH 3.25Å; P57-Y399 WeakPolarHBondContact CD-OH 3.3Å; P57-Y399 HydrophobicContact CG-CE1 3.96Å; P57-Y399 WeakPolarHBondContact CG-OH 3.25Å |
| 58 | V | 29.1 | Very low | 29.5 | Very low | 61 Ų | 61 | 112 Ų | 112 | 37% | 0.37 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -46.3 | 116.8 | 141.6 | 161.9 | 0 | 0 | 0 | 0 | 108.1 | P56 P60 V160 | P56-V58 PolarHBondContact O-N 3.22Å; V58-P60 VanDerWaalsContact O-CD 3.3Å; V58-P60 WeakPolarHBondContact O-CD 3.33Å; V58-V160 HydrophobicContact CG2-CG1 4.5Å |
| 59 | Q | 29.4 | Very low | 29.3 | Very low | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 124.4 | 165 | -83.4 | 177.1 | -56.9 | 0 | 0 | 108.4 | P57 | P57-Q59 PolarHBondContact O-N 3.32Å; P57-Q59 VanDerWaalsContact O-N 3.13Å |
| 60 | P | 28.3 | Very low | 29.2 | Very low | 102 Ų | 102 | 110.1 Ų | 110.1 | 66% | 0.662 | 64% | 0.635 | S | S | * | * | trans | -77.5 | 115.9 | 146.4 | 7.5 | 11.8 | 0 | 0 | 0 | 106.2 | V58 C62 | V58-P60 VanDerWaalsContact O-CD 3.3Å; V58-P60 WeakPolarHBondContact O-CD 3.33Å; P60-C62 PolarHBondContact O-N 3.03Å; P60-C62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | C | 26.4 | Very low | 29.3 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 64% | 0.642 | 64% | 0.643 | S | S | * | * | trans | -59.2 | 116.5 | 166.9 | -70.2 | 0 | 0 | 0 | 0 | 108.3 | L63 | C61-L63 PolarHBondContact O-N 3.49Š| ||
| 62 | C | 25.5 | Very low | 29.2 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 83% | 0.831 | 67% | 0.673 | S | S | * | * | trans | -61.3 | 120.2 | 167.9 | -54.8 | 0 | 0 | 0 | 0 | 108.9 | P60 | P60-C62 PolarHBondContact O-N 3.03Å; P60-C62 VanDerWaalsContact O-N 3.13Å | ||
| 63 | L | 29.8 | Very low | 29.3 | Very low | 175 Ų | 175 | 124 Ų | 124 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | trans | -124 | 91.4 | 149.3 | -80.6 | 167.8 | 0 | 0 | 0 | 106.3 | C61 | C61-L63 PolarHBondContact O-N 3.49Š| ||
| 64 | G | 26.7 | Very low | 29.4 | Very low | 59 Ų | 59 | 124.7 Ų | 124.7 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | trans | -63.2 | 153.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S66 | G64-S66 PolarHBondContact O-N 3.01Å; G64-S66 VanDerWaalsContact O-N 3.14Å | ||
| 65 | P | 30.4 | Very low | 29.3 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 90% | 0.896 | 73% | 0.725 | S | S | * | * | trans | -74.9 | 108.9 | -173 | 30.7 | -30.8 | 0 | 0 | 0 | 109.1 | ||||
| 66 | S | 30.7 | Very low | 29.1 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -90.1 | 116.4 | 161.7 | -165.3 | 0 | 0 | 0 | 0 | 108.6 | G64 W68 | G64-S66 PolarHBondContact O-N 3.01Å; G64-S66 VanDerWaalsContact O-N 3.14Å; S66-W68 PolarHBondContact O-N 3.11Å | ||
| 67 | K | 31.2 | Very low | 29.3 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -16.6 | 115.7 | 170.6 | -64.6 | 176.4 | 175.3 | -177.5 | 0 | 114.7 | G69 | K67-G69 PolarHBondContact O-N 2.81Å; K67-G69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | W | 28.2 | Very low | 29.3 | Very low | 264 Ų | 264 | 128.9 Ų | 128.9 | 100% | 1 | 79% | 0.789 | S | S | * | * | trans | -66.4 | 105.2 | 153.6 | -82.4 | 27.3 | 0 | 0 | 0 | 107.7 | S66 | S66-W68 PolarHBondContact O-N 3.11Š| ||
| 69 | G | 29.3 | Very low | 29.5 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -101.3 | 135.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | K67 | K67-G69 PolarHBondContact O-N 2.81Å; K67-G69 VanDerWaalsContact O-N 3.16Å | ||
| 70 | D | 28.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -51.2 | 133.3 | 179 | -70.1 | -55.7 | 0 | 0 | 0 | 114.1 | ||
| 71 | R | 28.4 | Very low | 30.7 | Very low | 235 Ų | 235 | 122.7 Ų | 122.7 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | 141.9 | 129.5 | 133.3 | -78.3 | -174.6 | -168.9 | -151.6 | 3.3 | 111.7 | ||||
| 72 | P | 26.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -88 | 170.8 | 175.1 | 36.4 | -31.4 | 0 | 0 | 0 | 111.4 | ||||
| 73 | V | 35.4 | Very low | 33.3 | Very low | 148 Ų | 148 | 120 Ų | 120 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | 118.9 | 108.9 | 157.4 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 74 | G | 30.3 | Very low | 35.7 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | 117.7 | 109.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 75 | G | 30.8 | Very low | 38.6 | Very low | 80 Ų | 80 | 111.1 Ų | 111.1 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | trans | 89.6 | 108.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 76 | G | 24.9 | Very low | 41.3 | Very low | 78 Ų | 78 | 107.2 Ų | 107.2 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -70.2 | 168.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 77 | P | 35 | Very low | 44 | Very low | 132 Ų | 132 | 107.7 Ų | 107.7 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | -136.9 | 125.9 | 103.8 | 28.5 | -11.7 | 0 | 0 | 0 | 113.8 | |||||
| 78 | S | 30.1 | Very low | 46.8 | Very low | 122 Ų | 122 | 101.4 Ų | 101.4 | 85% | 0.853 | 62% | 0.622 | S | S | * | * | trans | 15 | 98.2 | 155.6 | -151.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 79 | A | 33 | Very low | 49.8 | Very low | 73 Ų | 73 | 88.8 Ų | 88.8 | 60% | 0.603 | 58% | 0.575 | S | S | * | * | trans | -79.2 | 118.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 80 | G | 35.4 | Very low | 52.6 | Low | 35 Ų | 35 | 89.1 Ų | 89.1 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | trans | -55.4 | 149.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V82 Q83 | G80-V82 PolarHBondContact O-N 3.38Å; G80-Q83 PolarHBondContact O-N 3.34Å | ||
| 81 | P | 47.6 | Very low | 55.6 | Low | 86 Ų | 86 | 87.7 Ų | 87.7 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.7 | -17.2 | -166.7 | 20.5 | -31.8 | 0 | 0 | 0 | 115.2 | K108 | P81-K108 HydrophobicContact CB-CD 4.28Å |
| 82 | V | 49.3 | Very low | 58.4 | Low | 44 Ų | 44 | 76.5 Ų | 76.5 | 27% | 0.267 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.6 | -38 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | G80 G84 | G80-V82 PolarHBondContact O-N 3.38Å; V82-G84 VanDerWaalsContact C-N 3.28Å; V82-G84 PolarHBondContact O-N 3.06Å |
| 83 | Q | 57.7 | Low | 61.2 | Low | 118 Ų | 118 | 78.9 Ų | 78.9 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75 | -20.9 | -179.3 | -70.9 | -179.4 | -4.5 | 0 | 0 | 112.8 | G80 R87 | G80-Q83 PolarHBondContact O-N 3.34Å; Q83-R87 PolarHBondContact O-N 3.15Å; Q83-R87 PolarHBondContact O-NE 2.99Å |
| 84 | G | 80 | Confident | 63.6 | Low | 33 Ų | 33 | 73.7 Ų | 73.7 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.9 | -48.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V82 R87 L88 | V82-G84 VanDerWaalsContact C-N 3.28Å; V82-G84 PolarHBondContact O-N 3.06Å; G84-R87 PolarHBondContact O-N 3.45Å; G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.45Å; G84-L88 PolarHBondContact O-N 3.16Å |
| 85 | L | 87.8 | Confident | 66.2 | Low | 14 Ų | 14 | 70.6 Ų | 70.6 | 7% | 0.073 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | -175.6 | -178.2 | 59 | 0 | 0 | 0 | 112.7 | R87 L88 L89 W101 K108 V109 | L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.34Å; L85-L89 HydrophobicContact CD1-CD1 4.48Å; L85-L89 HydrophobicContact CD1-CG 4.31Å; L85-L89 HydrophobicContact CG-CD1 4.24Å; L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.11Å; L85-W101 HydrophobicContact CD1-CB 3.95Å; L85-W101 WeakPolarHBondContact CD1-O 3.29Å; L85-K108 HydrophobicContact CD2-CB 4.47Å; L85-V109 HydrophobicContact CD2-CG2 3.96Å |
| 86 | Q | 87.9 | Confident | 68.8 | Low | 55 Ų | 55 | 68 Ų | 68 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 176.5 | -178.2 | 176.6 | -27.4 | 0 | 0 | 111.4 | L88 L89 E90 V116 | Q86-L88 PolarHBondContact O-N 3.13Å; Q86-L89 PolarHBondContact O-N 3.19Å; Q86-E90 HydrophobicContact CG-CG 4.46Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.45Å; Q86-E90 PolarHBondContact NE2-OE1 3.4Å; Q86-E90 WeakPolarHBondContact O-CG 3.46Å; Q86-E90 PolarHBondContact O-N 2.93Å; Q86-V116 HydrophobicContact CG-CG1 4.4Å; Q86-V116 HydrophobicContact CG-CG2 4.35Å |
| 87 | R | 87.1 | Confident | 71.8 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176 | -81 | -174.5 | -102.8 | 172.3 | -11.8 | 112.4 | Q83 G84 L85 L89 E90 Q91 | Q83-R87 PolarHBondContact O-N 3.15Å; Q83-R87 PolarHBondContact O-NE 2.99Å; G84-R87 PolarHBondContact O-N 3.45Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.36Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.36Å; R87-E90 PolarHBondContact O-N 2.87Å; R87-Q91 VanDerWaalsContact O-CB 3.31Å; R87-Q91 WeakPolarHBondContact O-CB 3.35Å; R87-Q91 VanDerWaalsContact O-CG 3.27Å; R87-Q91 WeakPolarHBondContact O-CG 3.44Å; R87-Q91 PolarHBondContact O-N 3.19Å |
| 88 | L | 90.2 | Very high | 74.4 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 176.2 | -69.4 | 170.2 | 0 | 0 | 0 | 111.9 | G84 L85 Q86 A92 W101 | G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.45Å; G84-L88 PolarHBondContact O-N 3.16Å; L85-L88 PolarHBondContact O-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.13Å; L88-A92 PolarHBondContact O-N 3.33Å; L88-W101 HydrophobicContact CB-CD2 3.96Å; L88-W101 HydrophobicContact CB-CE3 4.44Å; L88-W101 HydrophobicContact CB-CG 4.09Å; L88-W101 HydrophobicContact CD1-CD2 4.17Å; L88-W101 HydrophobicContact CD1-CE3 3.79Å; L88-W101 HydrophobicContact CD1-CH2 4.24Å; L88-W101 HydrophobicContact CD1-CZ3 3.83Å; L88-W101 HydrophobicContact CD2-CH2 4.05Å; L88-W101 HydrophobicContact CD2-CZ2 3.89Å; L88-W101 HydrophobicContact CD2-CZ3 4.48Å; L88-W101 HydrophobicContact CG-CD2 4.48Å |
| 89 | L | 90.5 | Very high | 77.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 175.1 | -67.6 | 171 | 0 | 0 | 0 | 111.9 | L85 Q86 R87 Q91 A92 L98 W101 L102 H113 V116 A117 R120 | L85-L89 HydrophobicContact CD1-CD1 4.48Å; L85-L89 HydrophobicContact CD1-CG 4.31Å; L85-L89 HydrophobicContact CG-CD1 4.24Å; L85-L89 WeakPolarHBondContact O-CG 3.26Å; L85-L89 PolarHBondContact O-N 3.11Å; Q86-L89 PolarHBondContact O-N 3.19Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.36Å; L89-Q91 VanDerWaalsContact C-N 3.26Å; L89-Q91 PolarHBondContact O-N 3.03Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.27Å; L89-L98 HydrophobicContact CB-CD2 4.31Å; L89-L98 HydrophobicContact CD2-CD2 3.82Å; L89-L98 WeakPolarHBondContact O-CD2 3.4Å; L89-W101 HydrophobicContact CD2-CB 3.77Å; L89-W101 HydrophobicContact CG-CB 4.47Å; L89-L102 HydrophobicContact CD1-CD2 3.85Å; L89-L102 HydrophobicContact CD2-CD2 4.01Å; L89-L102 HydrophobicContact CD2-CG 3.91Å; L89-H113 HydrophobicContact CD1-CB 3.75Å; L89-V116 HydrophobicContact CB-CG1 3.97Å; L89-A117 HydrophobicContact CD2-CB 4.4Å; L89-R120 VanDerWaalsContact O-CG 3.32Å; L89-R120 WeakPolarHBondContact O-CG 3.47Å |
| 90 | E | 89.1 | Confident | 79.8 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -30 | 178.1 | -72.6 | 171.1 | 178.6 | 0 | 0 | 112.8 | Q86 R87 V116 R120 | Q86-E90 HydrophobicContact CG-CG 4.46Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.45Å; Q86-E90 PolarHBondContact NE2-OE1 3.4Å; Q86-E90 WeakPolarHBondContact O-CG 3.46Å; Q86-E90 PolarHBondContact O-N 2.93Å; R87-E90 PolarHBondContact O-N 2.87Å; E90-V116 HydrophobicContact CG-CG1 3.66Å; E90-R120 VanDerWaalsContact O-CD 3.31Å; E90-R120 WeakPolarHBondContact O-CD 3.31Å; E90-R120 VanDerWaalsContact O-CZ 3.24Å; E90-R120 PolarHBondContact O-NE 3.05Å; E90-R120 VanDerWaalsContact O-NE 3.1Å |
| 91 | Q | 90.7 | Very high | 82.4 | Confident | 131 Ų | 131 | 59.6 Ų | 59.6 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -93.6 | -4.4 | -179.5 | -67.6 | 178.1 | -7.7 | 0 | 0 | 114.1 | R87 L89 K93 | R87-Q91 VanDerWaalsContact O-CB 3.31Å; R87-Q91 WeakPolarHBondContact O-CB 3.35Å; R87-Q91 VanDerWaalsContact O-CG 3.27Å; R87-Q91 WeakPolarHBondContact O-CG 3.44Å; R87-Q91 PolarHBondContact O-N 3.19Å; L89-Q91 VanDerWaalsContact C-N 3.26Å; L89-Q91 PolarHBondContact O-N 3.03Å; Q91-K93 PolarHBondContact O-N 3.01Å |
| 92 | A | 87.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -53.6 | 132.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L88 L89 E97 L98 R120 | L88-A92 PolarHBondContact O-N 3.33Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.27Å; A92-E97 WeakPolarHBondContact CA-OE2 3.16Å; A92-E97 HydrophobicContact CB-CB 4.01Å; A92-L98 HydrophobicContact CB-CD2 3.47Å; A92-L98 VanDerWaalsContact CB-CD2 3.47Å; A92-L98 HydrophobicContact CB-CG 3.77Å; A92-R120 HydrophobicContact CB-CG 4.42Å; A92-R120 PolarHBondContact O-NE 2.92Å; A92-R120 PolarHBondContact O-NH2 2.97Å | ||
| 93 | K | 85.8 | Confident | 85.9 | Confident | 169 Ų | 169 | 55.7 Ų | 55.7 | 74% | 0.735 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -95.9 | -13.6 | -177 | -61.6 | -173.9 | -178.7 | -178.7 | 0 | 113 | Q91 E97 | Q91-K93 PolarHBondContact O-N 3.01Å; K93-E97 PolarHBondContact N-OE2 3.39Å |
| 94 | S | 85.1 | Confident | 87 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 28% | 0.28 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -144.3 | 154.9 | 177.5 | 64.9 | 0 | 0 | 0 | 0 | 111.5 | G96 E97 L98 | S94-G96 PolarHBondContact O-N 3.46Å; S94-E97 WeakPolarHBondContact O-CB 3.46Å; S94-E97 PolarHBondContact O-N 3.06Å; S94-E97 VanDerWaalsContact O-N 3.09Å; S94-E97 PolarHBondContact OG-N 3.4Å; S94-L98 PolarHBondContact O-N 2.88Å |
| 95 | P | 84.3 | Confident | 86.6 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.8 | -32.6 | 171.8 | -28 | 38.7 | 0 | 0 | 0 | 112.7 | E97 L98 L99 L121 L124 E135 T138 | P95-E97 VanDerWaalsContact C-N 3.34Å; P95-E97 PolarHBondContact O-N 2.89Å; P95-L98 WeakPolarHBondContact O-CB 3.39Å; P95-L98 PolarHBondContact O-N 2.88Å; P95-L99 PolarHBondContact O-N 2.93Å; P95-L121 HydrophobicContact CB-CD1 3.81Å; P95-L121 HydrophobicContact CG-CD1 3.76Å; P95-L124 HydrophobicContact CG-CD1 4.42Å; P95-E135 HydrophobicContact CG-CG 4.23Å; P95-T138 VanDerWaalsContact C-CG2 3.45Å; P95-T138 HydrophobicContact CB-CG2 3.67Å |
| 96 | G | 86.1 | Confident | 86 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.1 | -32.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S94 R100 | S94-G96 PolarHBondContact O-N 3.46Å; G96-R100 WeakPolarHBondContact O-CB 3.4Å; G96-R100 PolarHBondContact O-N 3.5Å |
| 97 | E | 88.5 | Confident | 85.6 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 170.7 | -82.5 | 175.4 | -160.4 | 0 | 0 | 111.8 | A92 K93 S94 P95 L99 R100 W101 | A92-E97 WeakPolarHBondContact CA-OE2 3.16Å; A92-E97 HydrophobicContact CB-CB 4.01Å; K93-E97 PolarHBondContact N-OE2 3.39Å; S94-E97 WeakPolarHBondContact O-CB 3.46Å; S94-E97 PolarHBondContact O-N 3.06Å; S94-E97 VanDerWaalsContact O-N 3.09Å; S94-E97 PolarHBondContact OG-N 3.4Å; P95-E97 VanDerWaalsContact C-N 3.34Å; P95-E97 PolarHBondContact O-N 2.89Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.01Å; E97-R100 PolarHBondContact O-N 3.25Å; E97-W101 WeakPolarHBondContact O-CB 2.94Å; E97-W101 VanDerWaalsContact O-CG 3.26Å; E97-W101 PolarHBondContact O-N 2.93Å |
| 98 | L | 89.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 176.7 | -67.7 | 172.6 | 0 | 0 | 0 | 111.2 | L89 A92 S94 P95 R100 W101 L102 A117 R120 L121 L124 L142 | L89-L98 HydrophobicContact CB-CD2 4.31Å; L89-L98 HydrophobicContact CD2-CD2 3.82Å; L89-L98 WeakPolarHBondContact O-CD2 3.4Å; A92-L98 HydrophobicContact CB-CD2 3.47Å; A92-L98 VanDerWaalsContact CB-CD2 3.47Å; A92-L98 HydrophobicContact CB-CG 3.77Å; S94-L98 PolarHBondContact O-N 2.88Å; P95-L98 WeakPolarHBondContact O-CB 3.39Å; P95-L98 PolarHBondContact O-N 2.88Å; L98-R100 PolarHBondContact O-N 3.04Å; L98-W101 PolarHBondContact O-N 3.34Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.8Å; L98-A117 HydrophobicContact CD2-CB 4.32Å; L98-R120 HydrophobicContact CD1-CB 4.27Å; L98-R120 HydrophobicContact CD1-CG 4.32Å; L98-R120 HydrophobicContact CD2-CB 4.07Å; L98-R120 HydrophobicContact CD2-CG 4.05Å; L98-L121 HydrophobicContact CD1-CB 3.99Å; L98-L124 HydrophobicContact CD1-CD1 4.08Å; L98-L142 HydrophobicContact CB-CD1 4.43Å |
| 99 | L | 88.5 | Confident | 85.1 | Confident | 31 Ų | 31 | 60 Ų | 60 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.6 | -77.5 | 178.3 | 0 | 0 | 0 | 112.3 | P95 E97 W101 L102 G103 T138 D141 L142 | P95-L99 PolarHBondContact O-N 2.93Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.01Å; L99-W101 VanDerWaalsContact C-N 3.34Å; L99-W101 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 3.39Å; L99-G103 PolarHBondContact O-N 3.42Å; L99-T138 HydrophobicContact CD1-CG2 3.34Å; L99-T138 HydrophobicContact CG-CG2 4.1Å; L99-D141 HydrophobicContact CD1-CB 3.53Å; L99-D141 HydrophobicContact CD2-CB 3.99Å; L99-D141 HydrophobicContact CG-CB 4.43Å; L99-L142 HydrophobicContact CD2-CB 3.96Å; L99-L142 HydrophobicContact CD2-CD1 4Å; L99-L142 HydrophobicContact CG-CD1 4.46Å |
| 100 | R | 87.6 | Confident | 84.9 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 179.5 | -167.2 | -173.7 | -55.4 | 128.3 | 3.6 | 111.3 | G96 E97 L98 G103 Q104 | G96-R100 WeakPolarHBondContact O-CB 3.4Å; G96-R100 PolarHBondContact O-N 3.5Å; E97-R100 PolarHBondContact O-N 3.25Å; L98-R100 PolarHBondContact O-N 3.04Å; R100-G103 PolarHBondContact O-N 3.21Å; R100-Q104 HydrophobicContact CG-CG 4.06Å; R100-Q104 WeakPolarHBondContact O-CB 3.2Å; R100-Q104 VanDerWaalsContact O-CG 3.27Å; R100-Q104 WeakPolarHBondContact O-CG 3.48Å; R100-Q104 PolarHBondContact O-N 3.44Å |
| 101 | W | 89.2 | Confident | 84.7 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.9 | -38 | 179.6 | -66.1 | 132 | 0 | 0 | 0 | 112.6 | L85 L88 L89 E97 L98 L99 | L85-W101 HydrophobicContact CD1-CB 3.95Å; L85-W101 WeakPolarHBondContact CD1-O 3.29Å; L88-W101 HydrophobicContact CB-CD2 3.96Å; L88-W101 HydrophobicContact CB-CE3 4.44Å; L88-W101 HydrophobicContact CB-CG 4.09Å; L88-W101 HydrophobicContact CD1-CD2 4.17Å; L88-W101 HydrophobicContact CD1-CE3 3.79Å; L88-W101 HydrophobicContact CD1-CH2 4.24Å; L88-W101 HydrophobicContact CD1-CZ3 3.83Å; L88-W101 HydrophobicContact CD2-CH2 4.05Å; L88-W101 HydrophobicContact CD2-CZ2 3.89Å; L88-W101 HydrophobicContact CD2-CZ3 4.48Å; L88-W101 HydrophobicContact CG-CD2 4.48Å; L89-W101 HydrophobicContact CD2-CB 3.77Å; L89-W101 HydrophobicContact CG-CB 4.47Å; E97-W101 WeakPolarHBondContact O-CB 2.94Å; E97-W101 VanDerWaalsContact O-CG 3.26Å; E97-W101 PolarHBondContact O-N 2.93Å; L98-W101 PolarHBondContact O-N 3.34Å; L99-W101 VanDerWaalsContact C-N 3.34Å; L99-W101 PolarHBondContact O-N 2.88Å |
| 102 | L | 88.3 | Confident | 84.4 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.3 | -31.8 | 174.1 | -65 | 172.5 | 0 | 0 | 0 | 112.4 | L89 L98 L99 V109 H113 Y114 A117 L142 L145 | L89-L102 HydrophobicContact CD1-CD2 3.85Å; L89-L102 HydrophobicContact CD2-CD2 4.01Å; L89-L102 HydrophobicContact CD2-CG 3.91Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.8Å; L99-L102 PolarHBondContact O-N 3.39Å; L102-V109 HydrophobicContact CD2-CG1 3.84Å; L102-V109 HydrophobicContact CD2-CG2 4.4Å; L102-V109 WeakPolarHBondContact O-CG2 3.31Å; L102-H113 HydrophobicContact CD2-CB 4.21Å; L102-Y114 HydrophobicContact CD1-CD1 4.32Å; L102-Y114 HydrophobicContact CD1-CE1 4.48Å; L102-A117 HydrophobicContact CD1-CB 3.81Å; L102-L142 HydrophobicContact CD1-CD1 3.9Å; L102-L145 HydrophobicContact CB-CD2 3.56Å; L102-L145 HydrophobicContact CD1-CD2 3.65Å; L102-L145 HydrophobicContact CG-CD2 4.21Å |
| 103 | G | 83.9 | Confident | 84.6 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -84.5 | -32.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L99 R100 N105 | L99-G103 PolarHBondContact O-N 3.42Å; R100-G103 PolarHBondContact O-N 3.21Å; G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.04Å |
| 104 | Q | 79.5 | Confident | 84.8 | Confident | 102 Ų | 102 | 52.8 Ų | 52.8 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.3 | -28 | -173.7 | -84.7 | 179.9 | -3.3 | 0 | 0 | 114.2 | R100 | R100-Q104 HydrophobicContact CG-CG 4.06Å; R100-Q104 WeakPolarHBondContact O-CB 3.2Å; R100-Q104 VanDerWaalsContact O-CG 3.27Å; R100-Q104 WeakPolarHBondContact O-CG 3.48Å; R100-Q104 PolarHBondContact O-N 3.44Å |
| 105 | N | 71 | Confident | 84.9 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 34% | 0.342 | 28% | 0.275 | S | S | . | . | trans | -141.6 | 69 | -175.7 | -72.3 | -95.9 | 0 | 0 | 0 | 110.8 | G103 S107 K108 | G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.04Å; N105-S107 PolarHBondContact O-N 2.99Å; N105-S107 VanDerWaalsContact O-N 3.11Å; N105-K108 HydrophobicContact CB-CB 4.2Å; N105-K108 HydrophobicContact CB-CD 4.05Å; N105-K108 HydrophobicContact CB-CG 4.25Å; N105-K108 PolarHBondContact O-N 3.02Å | ||
| 106 | P | 76.1 | Confident | 85.2 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -57.9 | -31.7 | -174.3 | 21.9 | -31.7 | 0 | 0 | 0 | 112.5 | K108 V109 | P106-K108 PolarHBondContact O-N 3.32Å; P106-V109 PolarHBondContact O-N 3.28Å |
| 107 | S | 79.2 | Confident | 85.4 | Confident | 115 Ų | 115 | 50.2 Ų | 50.2 | 80% | 0.804 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -65.7 | -19.2 | 176.6 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | N105 | N105-S107 PolarHBondContact O-N 2.99Å; N105-S107 VanDerWaalsContact O-N 3.11Å |
| 108 | K | 81.4 | Confident | 85.3 | Confident | 94 Ų | 94 | 48 Ų | 48 | 41% | 0.409 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -97.1 | -9.5 | 177.8 | -63.6 | -180 | -176.5 | 164.9 | 0 | 112.6 | P81 L85 N105 P106 H113 | P81-K108 HydrophobicContact CB-CD 4.28Å; L85-K108 HydrophobicContact CD2-CB 4.47Å; N105-K108 HydrophobicContact CB-CB 4.2Å; N105-K108 HydrophobicContact CB-CD 4.05Å; N105-K108 HydrophobicContact CB-CG 4.25Å; N105-K108 PolarHBondContact O-N 3.02Å; P106-K108 PolarHBondContact O-N 3.32Å; K108-H113 PolarHBondContact O-CE1 3.24Å |
| 109 | V | 85.1 | Confident | 85.1 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | trans | -79.9 | 124.3 | -177.6 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | L85 L102 P106 H113 Y114 | L85-V109 HydrophobicContact CD2-CG2 3.96Å; L102-V109 HydrophobicContact CD2-CG1 3.84Å; L102-V109 HydrophobicContact CD2-CG2 4.4Å; L102-V109 WeakPolarHBondContact O-CG2 3.31Å; P106-V109 PolarHBondContact O-N 3.28Å; V109-H113 HydrophobicContact CG1-CB 4.1Å; V109-Y114 HydrophobicContact CG1-CD2 4.25Å; V109-Y114 HydrophobicContact CG1-CE1 4.48Å; V109-Y114 HydrophobicContact CG1-CE2 3.51Å | ||
| 110 | R | 85.9 | Confident | 85.1 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 51% | 0.506 | 27% | 0.267 | S | S | . | . | trans | -106.9 | 159.5 | 172.6 | -66 | 177.5 | 178.6 | 174.4 | -0.2 | 109.7 | H112 H113 | R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å; R110-H112 VanDerWaalsContact O-N 3.16Å; R110-H113 PolarHBondContact N-ND1 3.24Å; R110-H113 VanDerWaalsContact O-CB 3.3Å; R110-H113 WeakPolarHBondContact O-CB 3.49Å; R110-H113 PolarHBondContact O-N 3.47Å | ||
| 111 | A | 86 | Confident | 85.1 | Confident | 17 Ų | 17 | 47 Ų | 47 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -47.5 | -45.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H113 Y114 F153 T157 | A111-H113 PolarHBondContact O-N 3.38Å; A111-Y114 WeakPolarHBondContact O-CD2 3.49Å; A111-Y114 PolarHBondContact O-N 3.39Å; A111-F153 HydrophobicContact CB-CB 4.23Å; A111-F153 HydrophobicContact CB-CD1 3.56Å; A111-F153 HydrophobicContact CB-CE1 4.24Å; A111-F153 HydrophobicContact CB-CG 4.06Å; A111-T157 HydrophobicContact CB-CG2 4.03Å; A111-T157 VanDerWaalsContact O-CG2 3.29Å; A111-T157 WeakPolarHBondContact O-CG2 3.42Å |
| 112 | H | 85 | Confident | 84.7 | Confident | 63 Ų | 63 | 45.3 Ų | 45.3 | 29% | 0.292 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.6 | -24.5 | -179.4 | 66.7 | -92.9 | 0 | 0 | 0 | 113.9 | R110 Y114 S115 V116 | R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å; R110-H112 VanDerWaalsContact O-N 3.16Å; H112-Y114 PolarHBondContact O-N 3.05Å; H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.04Å; H112-S115 VanDerWaalsContact O-N 3.07Å; H112-S115 PolarHBondContact O-OG 3.02Å; H112-V116 PolarHBondContact O-N 3.07Å; H112-V116 VanDerWaalsContact O-N 3.13Å |
| 113 | H | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -31.5 | 177.4 | -64.2 | 155.9 | 0 | 0 | 0 | 112 | L89 L102 K108 V109 R110 A111 S115 V116 A117 | L89-H113 HydrophobicContact CD1-CB 3.75Å; L102-H113 HydrophobicContact CD2-CB 4.21Å; K108-H113 PolarHBondContact O-CE1 3.24Å; V109-H113 HydrophobicContact CG1-CB 4.1Å; R110-H113 PolarHBondContact N-ND1 3.24Å; R110-H113 VanDerWaalsContact O-CB 3.3Å; R110-H113 WeakPolarHBondContact O-CB 3.49Å; R110-H113 PolarHBondContact O-N 3.47Å; A111-H113 PolarHBondContact O-N 3.38Å; H113-S115 VanDerWaalsContact C-N 3.34Å; H113-S115 PolarHBondContact O-N 3.1Å; H113-V116 PolarHBondContact O-N 2.94Å; H113-A117 WeakPolarHBondContact O-CB 3.29Å; H113-A117 PolarHBondContact O-N 3.48Å |
| 114 | Y | 89.9 | Confident | 84.4 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 174.1 | -64 | -83.1 | 0 | 0 | 0 | 111.9 | L102 V109 A111 H112 V116 A117 L118 L145 I146 N149 F153 | L102-Y114 HydrophobicContact CD1-CD1 4.32Å; L102-Y114 HydrophobicContact CD1-CE1 4.48Å; V109-Y114 HydrophobicContact CG1-CD2 4.25Å; V109-Y114 HydrophobicContact CG1-CE1 4.48Å; V109-Y114 HydrophobicContact CG1-CE2 3.51Å; A111-Y114 WeakPolarHBondContact O-CD2 3.49Å; A111-Y114 PolarHBondContact O-N 3.39Å; H112-Y114 PolarHBondContact O-N 3.05Å; Y114-V116 VanDerWaalsContact C-N 3.34Å; Y114-A117 PolarHBondContact O-N 3.34Å; Y114-L118 PolarHBondContact O-N 3.23Å; Y114-L145 HydrophobicContact CD1-CD2 4.32Å; Y114-L145 HydrophobicContact CE1-CD2 3.57Å; Y114-L145 HydrophobicContact CE1-CG 4.01Å; Y114-I146 HydrophobicContact CD1-CB 4.5Å; Y114-I146 HydrophobicContact CD1-CG1 3.65Å; Y114-I146 HydrophobicContact CG-CG1 4.31Å; Y114-N149 HydrophobicContact CE1-CB 4.3Å; Y114-N149 HydrophobicContact CE2-CB 3.94Å; Y114-N149 WeakPolarHBondContact OH-CB 3.46Å; Y114-N149 PolarHBondContact OH-ND2 2.95Å; Y114-N149 PolarHBondContact OH-OD1 3.05Å; Y114-F153 HydrophobicContact CD1-CZ 4.22Å; Y114-F153 HydrophobicContact CD2-CD1 4.45Å; Y114-F153 AromaticContact CD2-CE1 3.3Å; Y114-F153 HydrophobicContact CD2-CE1 3.3Å; Y114-F153 AromaticContact CD2-CZ 3.38Å; Y114-F153 HydrophobicContact CD2-CZ 3.38Å; Y114-F153 AromaticContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CZ 4.06Å; Y114-F153 AromaticContact CG-CE1 3.94Å; Y114-F153 HydrophobicContact CG-CE1 3.94Å; Y114-F153 AromaticContact CG-CZ 3.48Å; Y114-F153 HydrophobicContact CG-CZ 3.48Å; Y114-F153 VanDerWaalsContact CG-CZ 3.48Å |
| 115 | S | 87.1 | Confident | 84.3 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -34.5 | 174.3 | 77 | 0 | 0 | 0 | 0 | 112.7 | H112 H113 R119 L164 | H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.04Å; H112-S115 VanDerWaalsContact O-N 3.07Å; H112-S115 PolarHBondContact O-OG 3.02Å; H113-S115 VanDerWaalsContact C-N 3.34Å; H113-S115 PolarHBondContact O-N 3.1Å; S115-R119 WeakPolarHBondContact O-CB 3.42Å; S115-R119 PolarHBondContact O-N 3.23Å; S115-R119 VanDerWaalsContact O-N 3.09Å; S115-L164 VanDerWaalsContact O-CD1 3.31Å; S115-L164 WeakPolarHBondContact O-CD1 3.32Å |
| 116 | V | 89.5 | Confident | 84.1 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 173.8 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | Q86 L89 E90 H112 H113 Y114 R119 R120 | Q86-V116 HydrophobicContact CG-CG1 4.4Å; Q86-V116 HydrophobicContact CG-CG2 4.35Å; L89-V116 HydrophobicContact CB-CG1 3.97Å; E90-V116 HydrophobicContact CG-CG1 3.66Å; H112-V116 PolarHBondContact O-N 3.07Å; H112-V116 VanDerWaalsContact O-N 3.13Å; H113-V116 PolarHBondContact O-N 2.94Å; Y114-V116 VanDerWaalsContact C-N 3.34Å; V116-R119 PolarHBondContact O-N 2.95Å; V116-R120 PolarHBondContact O-N 3.5Å |
| 117 | A | 90.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L89 L98 L102 H113 Y114 R119 R120 L121 L142 | L89-A117 HydrophobicContact CD2-CB 4.4Å; L98-A117 HydrophobicContact CD2-CB 4.32Å; L102-A117 HydrophobicContact CD1-CB 3.81Å; H113-A117 WeakPolarHBondContact O-CB 3.29Å; H113-A117 PolarHBondContact O-N 3.48Å; Y114-A117 PolarHBondContact O-N 3.34Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.01Å; A117-R120 PolarHBondContact O-N 3.31Å; A117-L121 VanDerWaalsContact O-CB 3.3Å; A117-L121 WeakPolarHBondContact O-CB 3.33Å; A117-L121 PolarHBondContact O-N 3.41Å; A117-L142 HydrophobicContact CB-CD1 4.42Å |
| 118 | L | 86.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 174.5 | -77.2 | 175.1 | 0 | 0 | 0 | 112 | Y114 L121 G122 L142 I146 C161 L164 L168 F170 | Y114-L118 PolarHBondContact O-N 3.23Å; L118-L121 HydrophobicContact CD2-CD2 4.45Å; L118-L121 WeakPolarHBondContact O-CB 3.23Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-G122 PolarHBondContact O-N 3.29Å; L118-L142 HydrophobicContact CD2-CD2 3.8Å; L118-L142 HydrophobicContact CG-CD2 4.49Å; L118-I146 HydrophobicContact CD1-CD1 3.89Å; L118-I146 HydrophobicContact CD2-CD1 3.69Å; L118-I146 HydrophobicContact CG-CD1 3.7Å; L118-C161 HydrophobicContact CD1-CB 3.89Å; L118-L164 HydrophobicContact CB-CB 4.03Å; L118-L164 HydrophobicContact CB-CD1 3.85Å; L118-L164 HydrophobicContact CD1-CB 4.17Å; L118-L168 HydrophobicContact CB-CD1 4.29Å; L118-L168 HydrophobicContact CD2-CD1 3.82Å; L118-F170 HydrophobicContact CD2-CE2 4.43Å |
| 119 | R | 85.9 | Confident | 80.8 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 176.4 | -172.7 | -175.3 | -53.3 | 152.1 | 15.4 | 111.6 | S115 V116 A117 L121 G122 Q123 L164 | S115-R119 WeakPolarHBondContact O-CB 3.42Å; S115-R119 PolarHBondContact O-N 3.23Å; S115-R119 VanDerWaalsContact O-N 3.09Å; V116-R119 PolarHBondContact O-N 2.95Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.01Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.98Å; R119-G122 PolarHBondContact O-N 3.19Å; R119-Q123 PolarHBondContact O-N 3.46Å; R119-L164 HydrophobicContact CB-CD1 4.36Å |
| 120 | R | 89.6 | Confident | 79 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 23% | 0.226 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 178.8 | -176.6 | 60.9 | 175.9 | 175.6 | -4 | 111.3 | L89 E90 A92 L98 V116 A117 G122 Q123 L124 | L89-R120 VanDerWaalsContact O-CG 3.32Å; L89-R120 WeakPolarHBondContact O-CG 3.47Å; E90-R120 VanDerWaalsContact O-CD 3.31Å; E90-R120 WeakPolarHBondContact O-CD 3.31Å; E90-R120 VanDerWaalsContact O-CZ 3.24Å; E90-R120 PolarHBondContact O-NE 3.05Å; E90-R120 VanDerWaalsContact O-NE 3.1Å; A92-R120 HydrophobicContact CB-CG 4.42Å; A92-R120 PolarHBondContact O-NE 2.92Å; A92-R120 PolarHBondContact O-NH2 2.97Å; L98-R120 HydrophobicContact CD1-CB 4.27Å; L98-R120 HydrophobicContact CD1-CG 4.32Å; L98-R120 HydrophobicContact CD2-CB 4.07Å; L98-R120 HydrophobicContact CD2-CG 4.05Å; V116-R120 PolarHBondContact O-N 3.5Å; A117-R120 PolarHBondContact O-N 3.31Å; R120-G122 VanDerWaalsContact C-N 3.28Å; R120-G122 PolarHBondContact O-N 3.39Å; R120-Q123 VanDerWaalsContact CD-OE1 3.28Å; R120-Q123 WeakPolarHBondContact O-CB 3.47Å; R120-Q123 PolarHBondContact O-N 2.91Å; R120-Q123 VanDerWaalsContact O-N 3.07Å; R120-L124 HydrophobicContact CG-CD1 4.15Å; R120-L124 HydrophobicContact CG-CG 4.33Å; R120-L124 WeakPolarHBondContact O-CG 3.42Å; R120-L124 PolarHBondContact O-N 3.21Å |
| 121 | L | 86.5 | Confident | 77.2 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56 | -43.7 | 173.6 | -179.6 | 65.6 | 0 | 0 | 0 | 111.3 | P95 L98 A117 L118 R119 Q123 L124 L125 L139 L142 L168 | P95-L121 HydrophobicContact CB-CD1 3.81Å; P95-L121 HydrophobicContact CG-CD1 3.76Å; L98-L121 HydrophobicContact CD1-CB 3.99Å; A117-L121 VanDerWaalsContact O-CB 3.3Å; A117-L121 WeakPolarHBondContact O-CB 3.33Å; A117-L121 PolarHBondContact O-N 3.41Å; L118-L121 HydrophobicContact CD2-CD2 4.45Å; L118-L121 WeakPolarHBondContact O-CB 3.23Å; L118-L121 PolarHBondContact O-N 3.45Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.98Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.48Å; L121-L124 PolarHBondContact O-N 3.47Å; L121-L124 VanDerWaalsContact O-N 3.13Å; L121-L125 HydrophobicContact CD1-CD1 4.12Å; L121-L125 HydrophobicContact CD1-CG 4.17Å; L121-L125 HydrophobicContact CG-CD1 3.94Å; L121-L125 HydrophobicContact CG-CG 4.37Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.44Å; L121-L139 HydrophobicContact CD1-CD2 4.2Å; L121-L139 HydrophobicContact CD2-CD2 3.31Å; L121-L139 HydrophobicContact CG-CD2 4.12Å; L121-L142 HydrophobicContact CD2-CD2 3.65Å; L121-L168 HydrophobicContact CD2-CD1 4.26Å |
| 122 | G | 80.8 | Confident | 75.5 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L118 R119 R120 G126 | L118-G122 PolarHBondContact O-N 3.29Å; R119-G122 PolarHBondContact O-N 3.19Å; R120-G122 VanDerWaalsContact C-N 3.28Å; R120-G122 PolarHBondContact O-N 3.39Å; G122-G126 PolarHBondContact O-N 2.61Å |
| 123 | Q | 83.3 | Confident | 74 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 173.5 | -63 | 172 | -9.9 | 0 | 0 | 112.1 | R119 R120 L121 S127 | R119-Q123 PolarHBondContact O-N 3.46Å; R120-Q123 VanDerWaalsContact CD-OE1 3.28Å; R120-Q123 WeakPolarHBondContact O-CB 3.47Å; R120-Q123 PolarHBondContact O-N 2.91Å; R120-Q123 VanDerWaalsContact O-N 3.07Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.48Å; Q123-S127 PolarHBondContact O-N 3.41Å; Q123-S127 PolarHBondContact O-OG 3.24Å |
| 124 | L | 82.9 | Confident | 72.3 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70 | -37.9 | 178.4 | -68.9 | 173.9 | 0 | 0 | 0 | 112.2 | P95 L98 R120 L121 S127 | P95-L124 HydrophobicContact CG-CD1 4.42Å; L98-L124 HydrophobicContact CD1-CD1 4.08Å; R120-L124 HydrophobicContact CG-CD1 4.15Å; R120-L124 HydrophobicContact CG-CG 4.33Å; R120-L124 WeakPolarHBondContact O-CG 3.42Å; R120-L124 PolarHBondContact O-N 3.21Å; L121-L124 PolarHBondContact O-N 3.47Å; L121-L124 VanDerWaalsContact O-N 3.13Å; L124-S127 PolarHBondContact O-OG 3.16Å; L124-S127 VanDerWaalsContact O-OG 3.05Å |
| 125 | L | 77 | Confident | 71.2 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.9 | -38.3 | 176.4 | -66.5 | 174.4 | 0 | 0 | 0 | 111.8 | L121 S127 R128 E135 L139 L168 | L121-L125 HydrophobicContact CD1-CD1 4.12Å; L121-L125 HydrophobicContact CD1-CG 4.17Å; L121-L125 HydrophobicContact CG-CD1 3.94Å; L121-L125 HydrophobicContact CG-CG 4.37Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.44Å; L125-S127 PolarHBondContact O-N 2.82Å; L125-R128 PolarHBondContact O-N 3.29Å; L125-E135 WeakPolarHBondContact CD2-OE2 3.35Å; L125-L139 HydrophobicContact CD1-CD1 4.39Å; L125-L139 HydrophobicContact CD1-CD2 4.28Å; L125-L168 HydrophobicContact CD1-CD2 4.3Å |
| 126 | G | 67.8 | Low | 70.4 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 73% | 0.732 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.8 | -15.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G122 | G122-G126 PolarHBondContact O-N 2.61Å |
| 127 | S | 62.5 | Low | 69.8 | Low | 86 Ų | 86 | 74.5 Ų | 74.5 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -4.6 | -179.5 | 40.9 | 0 | 0 | 0 | 0 | 114.1 | Q123 L124 L125 | Q123-S127 PolarHBondContact O-N 3.41Å; Q123-S127 PolarHBondContact O-OG 3.24Å; L124-S127 PolarHBondContact O-OG 3.16Å; L124-S127 VanDerWaalsContact O-OG 3.05Å; L125-S127 PolarHBondContact O-N 2.82Å |
| 128 | R | 54.4 | Low | 69.2 | Low | 146 Ų | 146 | 75.2 Ų | 75.2 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | trans | -120 | 128.1 | -179.6 | -85.7 | 178.9 | 162.9 | -178.1 | -5.3 | 112.5 | L125 R130 E135 | L125-R128 PolarHBondContact O-N 3.29Å; R128-R130 PolarHBondContact O-N 3.03Å; R128-E135 IonicContact NH1-OE1 2.7Å; R128-E135 PolarHBondContact NH1-OE1 3.23Å | ||
| 129 | P | 50.8 | Low | 69 | Low | 140 Ų | 140 | 77 Ų | 77 | 91% | 0.909 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -73.4 | -4.7 | -178.7 | 26.1 | -31.1 | 0 | 0 | 0 | 114.9 | ||
| 130 | R | 46.4 | Very low | 69 | Low | 214 Ų | 214 | 79.5 Ų | 79.5 | 81% | 0.808 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -158.2 | 121.5 | 175.3 | -137.2 | 172.9 | -175.3 | 170.1 | 0.4 | 109.9 | R128 P132 | R128-R130 PolarHBondContact O-N 3.03Å; R130-P132 WeakPolarHBondContact O-CD 3.48Å |
| 131 | P | 47.8 | Very low | 69 | Low | 89 Ų | 89 | 80.5 Ų | 80.5 | 58% | 0.578 | 45% | 0.448 | S | S | * | . | trans | -71.9 | 126.5 | 178 | 27.1 | -30.8 | 0 | 0 | 0 | 109.7 | E135 | P131-E135 VanDerWaalsContact CA-OE2 3.29Å; P131-E135 WeakPolarHBondContact CA-OE2 3.49Å; P131-E135 HydrophobicContact CB-CB 4.35Å; P131-E135 WeakPolarHBondContact CB-OE2 3.34Å | ||
| 132 | P | 50 | Low | 69.1 | Low | 48 Ų | 48 | 80.7 Ų | 80.7 | 31% | 0.312 | 45% | 0.449 | S | S | . | . | trans | -59.9 | 151.3 | 166.8 | 22.2 | -33.5 | 0 | 0 | 0 | 111 | R130 V134 E135 | R130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-V134 PolarHBondContact O-N 2.62Å; P132-E135 WeakPolarHBondContact CD-OE1 3.28Å; P132-E135 HydrophobicContact CG-CG 3.86Å; P132-E135 WeakPolarHBondContact CG-OE1 3.39Å; P132-E135 WeakPolarHBondContact O-CB 3.39Å; P132-E135 PolarHBondContact O-N 2.87Å | ||
| 133 | P | 53.7 | Low | 69.5 | Low | 107 Ų | 107 | 79.8 Ų | 79.8 | 70% | 0.695 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.2 | -26.7 | -178.4 | 21.4 | -32.4 | 0 | 0 | 0 | 113.2 | E135 Q136 | P133-E135 PolarHBondContact O-N 3.14Å; P133-Q136 PolarHBondContact O-N 2.94Å |
| 134 | V | 54.9 | Low | 69.9 | Low | 101 Ų | 101 | 79.6 Ų | 79.6 | 61% | 0.612 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.2 | -30.8 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 112 | P132 Q136 V137 T138 | P132-V134 PolarHBondContact O-N 2.62Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.5Å; V134-V137 PolarHBondContact O-N 3.5Å; V134-T138 PolarHBondContact O-N 3.41Å; V134-T138 VanDerWaalsContact O-N 3.09Å; V134-T138 PolarHBondContact O-OG1 3.17Å |
| 135 | E | 66.7 | Low | 70.3 | Confident | 11 Ų | 11 | 80.7 Ų | 80.7 | 5% | 0.051 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.3 | -28.2 | -179.3 | -77.6 | 173.6 | -169.6 | 0 | 0 | 112.8 | P95 L125 R128 P131 P132 P133 T138 L139 | P95-E135 HydrophobicContact CG-CG 4.23Å; L125-E135 WeakPolarHBondContact CD2-OE2 3.35Å; R128-E135 IonicContact NH1-OE1 2.7Å; R128-E135 PolarHBondContact NH1-OE1 3.23Å; P131-E135 VanDerWaalsContact CA-OE2 3.29Å; P131-E135 WeakPolarHBondContact CA-OE2 3.49Å; P131-E135 HydrophobicContact CB-CB 4.35Å; P131-E135 WeakPolarHBondContact CB-OE2 3.34Å; P132-E135 WeakPolarHBondContact CD-OE1 3.28Å; P132-E135 HydrophobicContact CG-CG 3.86Å; P132-E135 WeakPolarHBondContact CG-OE1 3.39Å; P132-E135 WeakPolarHBondContact O-CB 3.39Å; P132-E135 PolarHBondContact O-N 2.87Å; P133-E135 PolarHBondContact O-N 3.14Å; E135-T138 PolarHBondContact O-N 3.04Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.3Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 3.12Å |
| 136 | Q | 71.1 | Confident | 70.9 | Confident | 147 Ų | 147 | 78.7 Ų | 78.7 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66 | -45.4 | 174.6 | -94.8 | 176.7 | -12.1 | 0 | 0 | 112 | P133 V134 T138 L139 Q140 | P133-Q136 PolarHBondContact O-N 2.94Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.5Å; Q136-T138 VanDerWaalsContact C-N 3.28Å; Q136-T138 PolarHBondContact O-N 3.2Å; Q136-L139 PolarHBondContact O-N 3.01Å; Q136-Q140 WeakPolarHBondContact O-CB 3.14Å; Q136-Q140 PolarHBondContact O-N 3.15Å |
| 137 | V | 76.9 | Confident | 72.1 | Confident | 82 Ų | 82 | 77.2 Ų | 77.2 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | V134 L139 Q140 D141 | V134-V137 PolarHBondContact O-N 3.5Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.19Å; V137-Q140 WeakPolarHBondContact O-CB 3.35Å; V137-Q140 PolarHBondContact O-N 2.87Å; V137-Q140 VanDerWaalsContact O-N 3.15Å; V137-D141 PolarHBondContact O-N 3.41Å |
| 138 | T | 78.3 | Confident | 73.5 | Confident | 15 Ų | 15 | 83.2 Ų | 83.2 | 9% | 0.092 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | -179.5 | -33.3 | 0 | 0 | 0 | 0 | 112.5 | P95 L99 V134 E135 Q136 L142 | P95-T138 VanDerWaalsContact C-CG2 3.45Å; P95-T138 HydrophobicContact CB-CG2 3.67Å; L99-T138 HydrophobicContact CD1-CG2 3.34Å; L99-T138 HydrophobicContact CG-CG2 4.1Å; V134-T138 PolarHBondContact O-N 3.41Å; V134-T138 VanDerWaalsContact O-N 3.09Å; V134-T138 PolarHBondContact O-OG1 3.17Å; E135-T138 PolarHBondContact O-N 3.04Å; Q136-T138 VanDerWaalsContact C-N 3.28Å; Q136-T138 PolarHBondContact O-N 3.2Å; T138-L142 WeakPolarHBondContact O-CB 3.36Å; T138-L142 PolarHBondContact O-N 3.42Å |
| 139 | L | 81.9 | Confident | 75.3 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 19% | 0.194 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 173.5 | -84.9 | 163.3 | 0 | 0 | 0 | 111.3 | L121 L125 E135 Q136 V137 L142 S143 F170 | L121-L139 HydrophobicContact CD1-CD2 4.2Å; L121-L139 HydrophobicContact CD2-CD2 3.31Å; L121-L139 HydrophobicContact CG-CD2 4.12Å; L125-L139 HydrophobicContact CD1-CD1 4.39Å; L125-L139 HydrophobicContact CD1-CD2 4.28Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.3Å; E135-L139 VanDerWaalsContact O-CG 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 3.12Å; Q136-L139 PolarHBondContact O-N 3.01Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.19Å; L139-L142 PolarHBondContact O-N 3.19Å; L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 3.27Å; L139-F170 HydrophobicContact CD2-CE2 4.29Å; L139-F170 HydrophobicContact CD2-CZ 3.7Å |
| 140 | Q | 86.3 | Confident | 77.1 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 58% | 0.575 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 178.5 | -162.7 | 169.4 | 10.3 | 0 | 0 | 110.8 | Q136 V137 L142 S143 Q144 | Q136-Q140 WeakPolarHBondContact O-CB 3.14Å; Q136-Q140 PolarHBondContact O-N 3.15Å; V137-Q140 WeakPolarHBondContact O-CB 3.35Å; V137-Q140 PolarHBondContact O-N 2.87Å; V137-Q140 VanDerWaalsContact O-N 3.15Å; Q140-L142 PolarHBondContact O-N 3.11Å; Q140-S143 WeakPolarHBondContact O-CB 3.46Å; Q140-S143 PolarHBondContact O-N 3.32Å; Q140-S143 PolarHBondContact O-OG 2.88Å; Q140-Q144 WeakPolarHBondContact O-CG 3.38Å; Q140-Q144 PolarHBondContact O-N 3.42Å |
| 141 | D | 88.8 | Confident | 79.2 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 174.9 | -70 | -22.8 | 0 | 0 | 0 | 112.1 | L99 V137 S143 Q144 L145 | L99-D141 HydrophobicContact CD1-CB 3.53Å; L99-D141 HydrophobicContact CD2-CB 3.99Å; L99-D141 HydrophobicContact CG-CB 4.43Å; V137-D141 PolarHBondContact O-N 3.41Å; D141-S143 VanDerWaalsContact C-N 3.32Å; D141-S143 PolarHBondContact O-N 3.35Å; D141-Q144 PolarHBondContact O-N 2.86Å; D141-L145 WeakPolarHBondContact O-CB 3.45Å; D141-L145 PolarHBondContact O-N 3.11Å |
| 142 | L | 88.5 | Confident | 81.2 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.2 | -168.6 | 98.5 | 0 | 0 | 0 | 110.2 | L98 L99 L102 A117 L118 L121 T138 L139 Q140 L145 I146 | L98-L142 HydrophobicContact CB-CD1 4.43Å; L99-L142 HydrophobicContact CD2-CB 3.96Å; L99-L142 HydrophobicContact CD2-CD1 4Å; L99-L142 HydrophobicContact CG-CD1 4.46Å; L102-L142 HydrophobicContact CD1-CD1 3.9Å; A117-L142 HydrophobicContact CB-CD1 4.42Å; L118-L142 HydrophobicContact CD2-CD2 3.8Å; L118-L142 HydrophobicContact CG-CD2 4.49Å; L121-L142 HydrophobicContact CD2-CD2 3.65Å; T138-L142 WeakPolarHBondContact O-CB 3.36Å; T138-L142 PolarHBondContact O-N 3.42Å; L139-L142 PolarHBondContact O-N 3.19Å; Q140-L142 PolarHBondContact O-N 3.11Å; L142-L145 PolarHBondContact O-N 3.3Å; L142-I146 HydrophobicContact CD2-CD1 3.97Å; L142-I146 HydrophobicContact CG-CD1 4.11Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 2.89Å |
| 143 | S | 89.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.5 | 81 | 0 | 0 | 0 | 0 | 111.2 | L139 Q140 D141 L145 I146 I147 | L139-S143 WeakPolarHBondContact O-CB 3.41Å; L139-S143 PolarHBondContact O-N 3.27Å; Q140-S143 WeakPolarHBondContact O-CB 3.46Å; Q140-S143 PolarHBondContact O-N 3.32Å; Q140-S143 PolarHBondContact O-OG 2.88Å; D141-S143 VanDerWaalsContact C-N 3.32Å; D141-S143 PolarHBondContact O-N 3.35Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.33Å; S143-I146 PolarHBondContact O-N 3.15Å; S143-I147 WeakPolarHBondContact O-CB 3.44Å; S143-I147 WeakPolarHBondContact O-CD1 3.3Å; S143-I147 WeakPolarHBondContact O-CG1 3.38Å; S143-I147 PolarHBondContact O-N 2.8Å |
| 144 | Q | 92.1 | Very high | 84.6 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 176.6 | -71.9 | -63.6 | -24 | 0 | 0 | 111.7 | Q140 D141 I146 I147 R148 | Q140-Q144 WeakPolarHBondContact O-CG 3.38Å; Q140-Q144 PolarHBondContact O-N 3.42Å; D141-Q144 PolarHBondContact O-N 2.86Å; Q144-I146 PolarHBondContact O-N 3.28Å; Q144-I147 PolarHBondContact O-N 3.47Å; Q144-R148 VanDerWaalsContact O-CB 3.3Å; Q144-R148 WeakPolarHBondContact O-CB 3.34Å; Q144-R148 PolarHBondContact O-N 2.95Å |
| 145 | L | 90.7 | Very high | 86 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.8 | -163.5 | 94.5 | 0 | 0 | 0 | 111.7 | L102 Y114 D141 L142 S143 N149 | L102-L145 HydrophobicContact CB-CD2 3.56Å; L102-L145 HydrophobicContact CD1-CD2 3.65Å; L102-L145 HydrophobicContact CG-CD2 4.21Å; Y114-L145 HydrophobicContact CD1-CD2 4.32Å; Y114-L145 HydrophobicContact CE1-CD2 3.57Å; Y114-L145 HydrophobicContact CE1-CG 4.01Å; D141-L145 WeakPolarHBondContact O-CB 3.45Å; D141-L145 PolarHBondContact O-N 3.11Å; L142-L145 PolarHBondContact O-N 3.3Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.33Å; L145-N149 PolarHBondContact O-N 3.41Å; L145-N149 PolarHBondContact O-ND2 3.48Å |
| 146 | I | 90.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 176.6 | -66.4 | 162.3 | 0 | 0 | 0 | 110.5 | Y114 L118 L142 S143 Q144 R148 N149 C150 F153 L176 | Y114-I146 HydrophobicContact CD1-CB 4.5Å; Y114-I146 HydrophobicContact CD1-CG1 3.65Å; Y114-I146 HydrophobicContact CG-CG1 4.31Å; L118-I146 HydrophobicContact CD1-CD1 3.89Å; L118-I146 HydrophobicContact CD2-CD1 3.69Å; L118-I146 HydrophobicContact CG-CD1 3.7Å; L142-I146 HydrophobicContact CD2-CD1 3.97Å; L142-I146 HydrophobicContact CG-CD1 4.11Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 2.89Å; S143-I146 PolarHBondContact O-N 3.15Å; Q144-I146 PolarHBondContact O-N 3.28Å; I146-R148 VanDerWaalsContact C-N 3.33Å; I146-R148 PolarHBondContact O-N 3.27Å; I146-N149 CarbonylContact O-C 3.52Å; I146-N149 PolarHBondContact O-N 3.02Å; I146-N149 VanDerWaalsContact O-N 3.16Å; I146-C150 WeakPolarHBondContact O-CA 3.38Å; I146-C150 WeakPolarHBondContact O-CB 3.36Å; I146-C150 PolarHBondContact O-N 3.41Å; I146-F153 HydrophobicContact CG2-CE2 3.85Å; I146-F153 HydrophobicContact CG2-CZ 4.03Å; I146-L176 HydrophobicContact CB-CD1 3.8Å; I146-L176 HydrophobicContact CD1-CD1 4.47Å; I146-L176 HydrophobicContact CG2-CD1 3.53Å |
| 147 | I | 92.2 | Very high | 87.6 | Confident | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.2 | -48.7 | 178 | -68.3 | 160.8 | 0 | 0 | 0 | 110.1 | S143 Q144 N149 C150 P175 L176 A179 | S143-I147 WeakPolarHBondContact O-CB 3.44Å; S143-I147 WeakPolarHBondContact O-CD1 3.3Å; S143-I147 WeakPolarHBondContact O-CG1 3.38Å; S143-I147 PolarHBondContact O-N 2.8Å; Q144-I147 PolarHBondContact O-N 3.47Å; I147-N149 PolarHBondContact O-N 3.32Å; I147-C150 VanDerWaalsContact O-CB 3.29Å; I147-C150 WeakPolarHBondContact O-CB 3.43Å; I147-C150 PolarHBondContact O-N 2.91Å; I147-P175 HydrophobicContact CD1-CB 3.92Å; I147-P175 HydrophobicContact CD1-CG 4.48Å; I147-L176 HydrophobicContact CD1-CB 4.34Å; I147-L176 HydrophobicContact CG1-CB 4.45Å; I147-L176 HydrophobicContact CG1-CD1 3.99Å; I147-A179 HydrophobicContact CB-CB 4.37Å; I147-A179 HydrophobicContact CG1-CB 3.93Å; I147-A179 HydrophobicContact CG2-CB 3.93Å |
| 148 | R | 92.4 | Very high | 88 | Confident | 212 Ų | 212 | 54 Ų | 54 | 80% | 0.8 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.6 | -32.9 | 179.9 | -177.1 | 176.9 | 174.6 | -176.1 | -0.3 | 113.4 | Q144 I146 | Q144-R148 VanDerWaalsContact O-CB 3.3Å; Q144-R148 WeakPolarHBondContact O-CB 3.34Å; Q144-R148 PolarHBondContact O-N 2.95Å; I146-R148 VanDerWaalsContact C-N 3.33Å; I146-R148 PolarHBondContact O-N 3.27Å |
| 149 | N | 91.8 | Very high | 88.1 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -100.7 | -4.2 | -177.9 | -69.7 | -84.4 | 0 | 0 | 0 | 113.4 | Y114 L145 I146 I147 P151 S152 F153 | Y114-N149 HydrophobicContact CE1-CB 4.3Å; Y114-N149 HydrophobicContact CE2-CB 3.94Å; Y114-N149 WeakPolarHBondContact OH-CB 3.46Å; Y114-N149 PolarHBondContact OH-ND2 2.95Å; Y114-N149 PolarHBondContact OH-OD1 3.05Å; L145-N149 PolarHBondContact O-N 3.41Å; L145-N149 PolarHBondContact O-ND2 3.48Å; I146-N149 CarbonylContact O-C 3.52Å; I146-N149 PolarHBondContact O-N 3.02Å; I146-N149 VanDerWaalsContact O-N 3.16Å; I147-N149 PolarHBondContact O-N 3.32Å; N149-P151 VanDerWaalsContact C-N 3.32Å; N149-S152 WeakPolarHBondContact O-CB 3.45Å; N149-S152 PolarHBondContact O-N 3.21Å; N149-S152 PolarHBondContact O-OG 3.41Å; N149-F153 HydrophobicContact CB-CE1 4Å; N149-F153 VanDerWaalsContact O-CD1 3.28Å; N149-F153 WeakPolarHBondContact O-CD1 3.39Å; N149-F153 WeakPolarHBondContact O-CE1 3.41Å |
| 150 | C | 89.3 | Confident | 88.1 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -53.3 | -39.4 | -176.9 | -163.9 | 0 | 0 | 0 | 0 | 113.7 | I146 I147 S152 F153 L180 E183 | I146-C150 WeakPolarHBondContact O-CA 3.38Å; I146-C150 WeakPolarHBondContact O-CB 3.36Å; I146-C150 PolarHBondContact O-N 3.41Å; I147-C150 VanDerWaalsContact O-CB 3.29Å; I147-C150 WeakPolarHBondContact O-CB 3.43Å; I147-C150 PolarHBondContact O-N 2.91Å; C150-S152 PolarHBondContact O-N 2.93Å; C150-S152 VanDerWaalsContact O-N 3.14Å; C150-F153 WeakPolarHBondContact O-CB 3.26Å; C150-F153 PolarHBondContact O-N 2.93Å; C150-L180 VanDerWaalsContact SG-CD2 3.54Å; C150-E183 HydrophobicContact CB-CG 4.32Å |
| 151 | P | 89.6 | Confident | 88.1 | Confident | 81 Ų | 81 | 50.6 Ų | 50.6 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -59.8 | -25.2 | 176.3 | -25.8 | 35.9 | 0 | 0 | 0 | 114.2 | N149 F153 R187 | N149-P151 VanDerWaalsContact C-N 3.32Å; P151-F153 VanDerWaalsContact C-N 3.33Å; P151-R187 PolarHBondContact O-NH2 3.29Å |
| 152 | S | 89 | Confident | 87.9 | Confident | 79 Ų | 79 | 47.7 Ų | 47.7 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -82.6 | -7.1 | 178.5 | 74.7 | 0 | 0 | 0 | 0 | 114.1 | N149 C150 | N149-S152 WeakPolarHBondContact O-CB 3.45Å; N149-S152 PolarHBondContact O-N 3.21Å; N149-S152 PolarHBondContact O-OG 3.41Å; C150-S152 PolarHBondContact O-N 2.93Å; C150-S152 VanDerWaalsContact O-N 3.14Å |
| 153 | F | 90.2 | Very high | 87.3 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72.6 | 162 | -175.4 | -69.8 | 7.1 | 0 | 0 | 0 | 110.7 | A111 Y114 I146 N149 C150 P151 T157 I158 L180 R187 | A111-F153 HydrophobicContact CB-CB 4.23Å; A111-F153 HydrophobicContact CB-CD1 3.56Å; A111-F153 HydrophobicContact CB-CE1 4.24Å; A111-F153 HydrophobicContact CB-CG 4.06Å; Y114-F153 HydrophobicContact CD1-CZ 4.22Å; Y114-F153 HydrophobicContact CD2-CD1 4.45Å; Y114-F153 AromaticContact CD2-CE1 3.3Å; Y114-F153 HydrophobicContact CD2-CE1 3.3Å; Y114-F153 AromaticContact CD2-CZ 3.38Å; Y114-F153 HydrophobicContact CD2-CZ 3.38Å; Y114-F153 AromaticContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CE1 3.66Å; Y114-F153 HydrophobicContact CE2-CZ 4.06Å; Y114-F153 AromaticContact CG-CE1 3.94Å; Y114-F153 HydrophobicContact CG-CE1 3.94Å; Y114-F153 AromaticContact CG-CZ 3.48Å; Y114-F153 HydrophobicContact CG-CZ 3.48Å; Y114-F153 VanDerWaalsContact CG-CZ 3.48Å; I146-F153 HydrophobicContact CG2-CE2 3.85Å; I146-F153 HydrophobicContact CG2-CZ 4.03Å; N149-F153 HydrophobicContact CB-CE1 4Å; N149-F153 VanDerWaalsContact O-CD1 3.28Å; N149-F153 WeakPolarHBondContact O-CD1 3.39Å; N149-F153 WeakPolarHBondContact O-CE1 3.41Å; C150-F153 WeakPolarHBondContact O-CB 3.26Å; C150-F153 PolarHBondContact O-N 2.93Å; P151-F153 VanDerWaalsContact C-N 3.33Å; F153-T157 HydrophobicContact CB-CG2 4.15Å; F153-T157 HydrophobicContact CD1-CG2 4.47Å; F153-T157 HydrophobicContact CD2-CG2 3.66Å; F153-T157 HydrophobicContact CE2-CG2 4.14Å; F153-T157 HydrophobicContact CG-CG2 3.84Å; F153-I158 HydrophobicContact CB-CD1 4.41Å; F153-I158 HydrophobicContact CB-CG1 3.8Å; F153-I158 HydrophobicContact CD2-CG1 4.38Å; F153-L180 HydrophobicContact CD2-CD2 4.45Å; F153-R187 PolarHBondContact O-NH1 2.81Å; F153-R187 PolarHBondContact O-NH2 3.38Å |
| 154 | D | 85.7 | Confident | 86.9 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | trans | -91 | 166.8 | 162.8 | 60.7 | 37.3 | 0 | 0 | 0 | 110 | H156 T157 I158 | D154-H156 PolarHBondContact O-N 3.04Å; D154-H156 PolarHBondContact OD1-N 3.21Å; D154-T157 PolarHBondContact O-N 3.02Å; D154-T157 VanDerWaalsContact OD1-CB 3.23Å; D154-T157 WeakPolarHBondContact OD1-CB 3.32Å; D154-T157 PolarHBondContact OD1-N 3.12Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.4Å | ||
| 155 | I | 83.5 | Confident | 86.4 | Confident | 85 Ų | 85 | 48.9 Ų | 48.9 | 44% | 0.436 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -28.2 | -177.8 | -161 | 165.8 | 0 | 0 | 0 | 112.2 | H159 | I155-H159 PolarHBondContact O-N 3Å; I155-H159 PolarHBondContact O-ND1 2.85Å |
| 156 | H | 83.2 | Confident | 85.6 | Confident | 76 Ų | 76 | 51 Ų | 51 | 35% | 0.352 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71 | -46 | 178.1 | -177.8 | 21.4 | 0 | 0 | 0 | 111.1 | P56 D154 I158 H159 V160 | P56-H156 WeakPolarHBondContact CB-CE1 3.38Å; P56-H156 WeakPolarHBondContact CG-CE1 3.49Å; P56-H156 WeakPolarHBondContact CG-ND1 3.46Å; D154-H156 PolarHBondContact O-N 3.04Å; D154-H156 PolarHBondContact OD1-N 3.21Å; H156-I158 VanDerWaalsContact C-N 3.32Å; H156-I158 PolarHBondContact O-N 3.1Å; H156-H159 PolarHBondContact O-N 2.8Å; H156-V160 WeakPolarHBondContact CE1-CG2 3.45Å; H156-V160 WeakPolarHBondContact O-CG2 3.35Å; H156-V160 PolarHBondContact O-N 3.1Å |
| 157 | T | 88 | Confident | 84.6 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | A111 F153 D154 H159 V160 C161 | A111-T157 HydrophobicContact CB-CG2 4.03Å; A111-T157 VanDerWaalsContact O-CG2 3.29Å; A111-T157 WeakPolarHBondContact O-CG2 3.42Å; F153-T157 HydrophobicContact CB-CG2 4.15Å; F153-T157 HydrophobicContact CD1-CG2 4.47Å; F153-T157 HydrophobicContact CD2-CG2 3.66Å; F153-T157 HydrophobicContact CE2-CG2 4.14Å; F153-T157 HydrophobicContact CG-CG2 3.84Å; D154-T157 PolarHBondContact O-N 3.02Å; D154-T157 VanDerWaalsContact OD1-CB 3.23Å; D154-T157 WeakPolarHBondContact OD1-CB 3.32Å; D154-T157 PolarHBondContact OD1-N 3.12Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å; T157-H159 PolarHBondContact O-N 3.29Å; T157-V160 PolarHBondContact O-N 3.08Å; T157-C161 WeakPolarHBondContact O-CB 3.4Å; T157-C161 PolarHBondContact O-N 3.31Å; T157-C161 PolarHBondContact O-SG 3.44Å |
| 158 | I | 86 | Confident | 83.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 174 | -67.6 | 168.3 | 0 | 0 | 0 | 110.4 | F153 D154 H156 V160 C161 L162 L180 E183 R184 | F153-I158 HydrophobicContact CB-CD1 4.41Å; F153-I158 HydrophobicContact CB-CG1 3.8Å; F153-I158 HydrophobicContact CD2-CG1 4.38Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.4Å; H156-I158 VanDerWaalsContact C-N 3.32Å; H156-I158 PolarHBondContact O-N 3.1Å; I158-V160 VanDerWaalsContact C-N 3.35Å; I158-V160 PolarHBondContact O-N 3.03Å; I158-C161 PolarHBondContact O-N 3.32Å; I158-L162 VanDerWaalsContact O-CB 3.3Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 PolarHBondContact O-N 2.56Å; I158-L180 HydrophobicContact CG2-CD2 4.19Å; I158-L180 WeakPolarHBondContact CG2-O 3.47Å; I158-E183 HydrophobicContact CD1-CB 3.86Å; I158-R184 HydrophobicContact CG2-CB 4.02Å |
| 159 | H | 81.3 | Confident | 83.1 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 39% | 0.394 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 179.1 | -71.4 | 129.4 | 0 | 0 | 0 | 112.8 | I155 H156 T157 H163 | I155-H159 PolarHBondContact O-N 3Å; I155-H159 PolarHBondContact O-ND1 2.85Å; H156-H159 PolarHBondContact O-N 2.8Å; T157-H159 PolarHBondContact O-N 3.29Å; H159-H163 WeakPolarHBondContact O-CB 3.41Å; H159-H163 PolarHBondContact O-N 3.31Å |
| 160 | V | 81.3 | Confident | 82.6 | Confident | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -44.7 | 178.3 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | V58 H156 T157 I158 H163 L164 | V58-V160 HydrophobicContact CG2-CG1 4.5Å; H156-V160 WeakPolarHBondContact CE1-CG2 3.45Å; H156-V160 WeakPolarHBondContact O-CG2 3.35Å; H156-V160 PolarHBondContact O-N 3.1Å; T157-V160 PolarHBondContact O-N 3.08Å; I158-V160 VanDerWaalsContact C-N 3.35Å; I158-V160 PolarHBondContact O-N 3.03Å; V160-H163 PolarHBondContact O-N 3.09Å; V160-L164 HydrophobicContact CG1-CD1 3.76Å; V160-L164 HydrophobicContact CG1-CG 4.29Å; V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.21Å |
| 161 | C | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | L118 T157 I158 H163 L164 A165 L180 | L118-C161 HydrophobicContact CD1-CB 3.89Å; T157-C161 WeakPolarHBondContact O-CB 3.4Å; T157-C161 PolarHBondContact O-N 3.31Å; T157-C161 PolarHBondContact O-SG 3.44Å; I158-C161 PolarHBondContact O-N 3.32Å; C161-H163 PolarHBondContact O-N 2.89Å; C161-L164 PolarHBondContact O-N 2.69Å; C161-A165 VanDerWaalsContact O-CB 3.26Å; C161-A165 WeakPolarHBondContact O-CB 3.44Å; C161-A165 PolarHBondContact O-N 3.17Å; C161-L180 HydrophobicContact CB-CD1 3.91Å; C161-L180 HydrophobicContact CB-CD2 3.82Å |
| 162 | L | 85.5 | Confident | 81.3 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 176.2 | -167.1 | 83.5 | 0 | 0 | 0 | 110.8 | I158 A165 V166 V177 L180 E181 | I158-L162 VanDerWaalsContact O-CB 3.3Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 PolarHBondContact O-N 2.56Å; L162-A165 PolarHBondContact O-N 2.89Å; L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 2.73Å; L162-V166 VanDerWaalsContact O-N 3.07Å; L162-V177 HydrophobicContact CD1-CG1 4.01Å; L162-L180 HydrophobicContact CB-CB 4.46Å; L162-L180 HydrophobicContact CD1-CB 3.58Å; L162-L180 HydrophobicContact CD1-CD1 4.46Å; L162-E181 HydrophobicContact CD1-CG 3.73Å; L162-E181 HydrophobicContact CD2-CG 4.47Å |
| 163 | H | 75.3 | Confident | 81 | Confident | 115 Ų | 115 | 56 Ų | 56 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 177.5 | -178.3 | 63.1 | 0 | 0 | 0 | 112.3 | H159 V160 C161 A165 V166 L167 | H159-H163 WeakPolarHBondContact O-CB 3.41Å; H159-H163 PolarHBondContact O-N 3.31Å; V160-H163 PolarHBondContact O-N 3.09Å; C161-H163 PolarHBondContact O-N 2.89Å; H163-A165 VanDerWaalsContact C-N 3.35Å; H163-V166 PolarHBondContact O-N 3.28Å; H163-L167 VanDerWaalsContact NE2-CD1 3.34Å; H163-L167 WeakPolarHBondContact NE2-CD1 3.45Å; H163-L167 WeakPolarHBondContact O-CG 3.36Å; H163-L167 PolarHBondContact O-N 2.92Å |
| 164 | L | 82.2 | Confident | 80.8 | Confident | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.9 | -70.6 | 171.9 | 0 | 0 | 0 | 111.7 | S115 L118 R119 V160 C161 L167 L168 | S115-L164 VanDerWaalsContact O-CD1 3.31Å; S115-L164 WeakPolarHBondContact O-CD1 3.32Å; L118-L164 HydrophobicContact CB-CB 4.03Å; L118-L164 HydrophobicContact CB-CD1 3.85Å; L118-L164 HydrophobicContact CD1-CB 4.17Å; R119-L164 HydrophobicContact CB-CD1 4.36Å; V160-L164 HydrophobicContact CG1-CD1 3.76Å; V160-L164 HydrophobicContact CG1-CG 4.29Å; V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.21Å; C161-L164 PolarHBondContact O-N 2.69Å; L164-L167 PolarHBondContact O-N 3.08Å; L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CD1 3.21Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.11Å |
| 165 | A | 81 | Confident | 81.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C161 L162 H163 L168 G169 F170 L176 V177 | C161-A165 VanDerWaalsContact O-CB 3.26Å; C161-A165 WeakPolarHBondContact O-CB 3.44Å; C161-A165 PolarHBondContact O-N 3.17Å; L162-A165 PolarHBondContact O-N 2.89Å; H163-A165 VanDerWaalsContact C-N 3.35Å; A165-L168 PolarHBondContact O-N 3.45Å; A165-G169 PolarHBondContact O-N 2.71Å; A165-F170 HydrophobicContact CB-CB 4.25Å; A165-F170 HydrophobicContact CB-CD2 4.07Å; A165-F170 HydrophobicContact CB-CG 4.38Å; A165-F170 WeakPolarHBondContact O-CB 3.4Å; A165-F170 WeakPolarHBondContact O-CD2 3.5Å; A165-F170 PolarHBondContact O-N 3.16Å; A165-L176 HydrophobicContact CB-CD2 4.07Å; A165-L176 HydrophobicContact CB-CG 4.48Å; A165-V177 HydrophobicContact CB-CG2 4.23Å |
| 166 | V | 73.5 | Confident | 81.4 | Confident | 86 Ų | 86 | 52 Ų | 52 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L162 H163 L168 G169 | L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 2.73Å; L162-V166 VanDerWaalsContact O-N 3.07Å; H163-V166 PolarHBondContact O-N 3.28Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 3.24Å; V166-G169 PolarHBondContact O-N 3.19Å |
| 167 | L | 69.8 | Low | 81.5 | Confident | 119 Ų | 119 | 48.6 Ų | 48.6 | 62% | 0.623 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.7 | -31.3 | 177.5 | -76 | 177.5 | 0 | 0 | 0 | 113.4 | H163 L164 G169 | H163-L167 VanDerWaalsContact NE2-CD1 3.34Å; H163-L167 WeakPolarHBondContact NE2-CD1 3.45Å; H163-L167 WeakPolarHBondContact O-CG 3.36Å; H163-L167 PolarHBondContact O-N 2.92Å; L164-L167 PolarHBondContact O-N 3.08Å; L167-G169 PolarHBondContact O-N 2.93Å |
| 168 | L | 78.1 | Confident | 81.6 | Confident | 42 Ų | 42 | 51 Ų | 51 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -4.6 | 175.9 | -74.2 | 171.2 | 0 | 0 | 0 | 113.1 | L118 L121 L125 L164 A165 V166 F170 | L118-L168 HydrophobicContact CB-CD1 4.29Å; L118-L168 HydrophobicContact CD2-CD1 3.82Å; L121-L168 HydrophobicContact CD2-CD1 4.26Å; L125-L168 HydrophobicContact CD1-CD2 4.3Å; L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CD1 3.21Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.11Å; A165-L168 PolarHBondContact O-N 3.45Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 3.24Å; L168-F170 HydrophobicContact CB-CD2 3.79Å; L168-F170 HydrophobicContact CB-CE2 3.88Å; L168-F170 HydrophobicContact CD1-CE2 3.98Å |
| 169 | G | 74.6 | Confident | 81.9 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 21.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A165 V166 L167 | A165-G169 PolarHBondContact O-N 2.71Å; V166-G169 PolarHBondContact O-N 3.19Å; L167-G169 PolarHBondContact O-N 2.93Å |
| 170 | F | 80.9 | Confident | 82.4 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | trans | -62.3 | 134 | 168.8 | -75.6 | -90.6 | 0 | 0 | 0 | 109.3 | L118 L139 A165 L168 L176 V177 | L118-F170 HydrophobicContact CD2-CE2 4.43Å; L139-F170 HydrophobicContact CD2-CE2 4.29Å; L139-F170 HydrophobicContact CD2-CZ 3.7Å; A165-F170 HydrophobicContact CB-CB 4.25Å; A165-F170 HydrophobicContact CB-CD2 4.07Å; A165-F170 HydrophobicContact CB-CG 4.38Å; A165-F170 WeakPolarHBondContact O-CB 3.4Å; A165-F170 WeakPolarHBondContact O-CD2 3.5Å; A165-F170 PolarHBondContact O-N 3.16Å; L168-F170 HydrophobicContact CB-CD2 3.79Å; L168-F170 HydrophobicContact CB-CE2 3.88Å; L168-F170 HydrophobicContact CD1-CE2 3.98Å; F170-L176 HydrophobicContact CD1-CB 4.46Å; F170-L176 HydrophobicContact CD1-CD2 3.89Å; F170-L176 HydrophobicContact CD2-CD2 4.17Å; F170-L176 HydrophobicContact CE1-CD2 3.84Å; F170-L176 HydrophobicContact CE2-CD2 4.11Å; F170-L176 HydrophobicContact CG-CD2 4.05Å; F170-L176 HydrophobicContact CZ-CD2 3.94Å; F170-V177 HydrophobicContact CB-CG2 4.07Å | ||
| 171 | P | 77.7 | Confident | 82.6 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | trans | -61.7 | 140.9 | -178.3 | 20.6 | -27.7 | 0 | 0 | 0 | 110.6 | D173 G174 V177 | P171-D173 WeakPolarHBondContact CB-OD1 3.32Å; P171-D173 PolarHBondContact O-N 2.82Å; P171-G174 WeakPolarHBondContact O-CA 3.48Å; P171-G174 PolarHBondContact O-N 3.01Å; P171-V177 WeakPolarHBondContact O-CG2 3.48Å | ||
| 172 | S | 74.9 | Confident | 82.8 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.1 | -176.3 | -51.9 | 0 | 0 | 0 | 0 | 113 | V177 | S172-V177 WeakPolarHBondContact O-CG1 3.49Š|
| 173 | D | 82.6 | Confident | 82.9 | Confident | 139 Ų | 139 | 56.4 Ų | 56.4 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3.5 | 173.7 | 57.5 | -31 | 0 | 0 | 0 | 112.8 | P171 | P171-D173 WeakPolarHBondContact CB-OD1 3.32Å; P171-D173 PolarHBondContact O-N 2.82Å |
| 174 | G | 85.2 | Confident | 83.2 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -71 | 153.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | P171 L176 V177 C178 | P171-G174 WeakPolarHBondContact O-CA 3.48Å; P171-G174 PolarHBondContact O-N 3.01Å; G174-L176 VanDerWaalsContact C-N 3.25Å; G174-L176 PolarHBondContact O-N 3.21Å; G174-L176 VanDerWaalsContact O-N 3.12Å; G174-V177 PolarHBondContact O-N 2.69Å; G174-V177 VanDerWaalsContact O-N 3.15Å; G174-C178 PolarHBondContact O-N 2.7Å; G174-C178 PolarHBondContact O-SG 2.64Å; G174-C178 VanDerWaalsContact O-SG 3.39Å |
| 175 | P | 91.6 | Very high | 83.2 | Confident | 85 Ų | 85 | 61 Ų | 61 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59 | -33.6 | -172.6 | 23.4 | -34.4 | 0 | 0 | 0 | 113.5 | I147 A179 | I147-P175 HydrophobicContact CD1-CB 3.92Å; I147-P175 HydrophobicContact CD1-CG 4.48Å; P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.34Å; P175-A179 PolarHBondContact O-N 2.9Å |
| 176 | L | 90.4 | Very high | 83.2 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.3 | -47.6 | 178.7 | 179.3 | 58.8 | 0 | 0 | 0 | 112.6 | I146 I147 A165 F170 G174 A179 L180 | I146-L176 HydrophobicContact CB-CD1 3.8Å; I146-L176 HydrophobicContact CD1-CD1 4.47Å; I146-L176 HydrophobicContact CG2-CD1 3.53Å; I147-L176 HydrophobicContact CD1-CB 4.34Å; I147-L176 HydrophobicContact CG1-CB 4.45Å; I147-L176 HydrophobicContact CG1-CD1 3.99Å; A165-L176 HydrophobicContact CB-CD2 4.07Å; A165-L176 HydrophobicContact CB-CG 4.48Å; F170-L176 HydrophobicContact CD1-CB 4.46Å; F170-L176 HydrophobicContact CD1-CD2 3.89Å; F170-L176 HydrophobicContact CD2-CD2 4.17Å; F170-L176 HydrophobicContact CE1-CD2 3.84Å; F170-L176 HydrophobicContact CE2-CD2 4.11Å; F170-L176 HydrophobicContact CG-CD2 4.05Å; F170-L176 HydrophobicContact CZ-CD2 3.94Å; G174-L176 VanDerWaalsContact C-N 3.25Å; G174-L176 PolarHBondContact O-N 3.21Å; G174-L176 VanDerWaalsContact O-N 3.12Å; L176-A179 PolarHBondContact O-N 3.23Å; L176-L180 HydrophobicContact CD1-CD1 3.89Å; L176-L180 HydrophobicContact CD1-CG 4.43Å; L176-L180 HydrophobicContact CG-CD1 4.07Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 3.22Å; L176-L180 VanDerWaalsContact O-N 3.11Å |
| 177 | V | 86.4 | Confident | 83.4 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.8 | -45.2 | -178.8 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | L162 A165 F170 P171 S172 G174 A179 L180 E181 | L162-V177 HydrophobicContact CD1-CG1 4.01Å; A165-V177 HydrophobicContact CB-CG2 4.23Å; F170-V177 HydrophobicContact CB-CG2 4.07Å; P171-V177 WeakPolarHBondContact O-CG2 3.48Å; S172-V177 WeakPolarHBondContact O-CG1 3.49Å; G174-V177 PolarHBondContact O-N 2.69Å; G174-V177 VanDerWaalsContact O-N 3.15Å; V177-A179 PolarHBondContact O-N 3.45Å; V177-L180 PolarHBondContact O-N 2.94Å; V177-E181 HydrophobicContact CG1-CG 4.31Å; V177-E181 WeakPolarHBondContact O-CB 3.29Å; V177-E181 WeakPolarHBondContact O-CG 3.08Å; V177-E181 PolarHBondContact O-N 3.46Å |
| 178 | C | 90.1 | Very high | 83.1 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57 | -45.8 | 175.9 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | G174 E181 Q182 | G174-C178 PolarHBondContact O-N 2.7Å; G174-C178 PolarHBondContact O-SG 2.64Å; G174-C178 VanDerWaalsContact O-SG 3.39Å; C178-E181 PolarHBondContact O-N 3.19Å; C178-Q182 WeakPolarHBondContact O-CB 3.3Å; C178-Q182 PolarHBondContact O-N 2.87Å |
| 179 | A | 92.6 | Very high | 81.9 | Confident | 18 Ų | 18 | 67.9 Ų | 67.9 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I147 P175 L176 V177 Q182 E183 | I147-A179 HydrophobicContact CB-CB 4.37Å; I147-A179 HydrophobicContact CG1-CB 3.93Å; I147-A179 HydrophobicContact CG2-CB 3.93Å; P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.34Å; P175-A179 PolarHBondContact O-N 2.9Å; L176-A179 PolarHBondContact O-N 3.23Å; V177-A179 PolarHBondContact O-N 3.45Å; A179-Q182 PolarHBondContact O-N 3.25Å; A179-E183 PolarHBondContact O-N 2.88Å |
| 180 | L | 89.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177 | -76 | 163.6 | 0 | 0 | 0 | 111.8 | C150 F153 I158 C161 L162 L176 V177 R184 | C150-L180 VanDerWaalsContact SG-CD2 3.54Å; F153-L180 HydrophobicContact CD2-CD2 4.45Å; I158-L180 HydrophobicContact CG2-CD2 4.19Å; I158-L180 WeakPolarHBondContact CG2-O 3.47Å; C161-L180 HydrophobicContact CB-CD1 3.91Å; C161-L180 HydrophobicContact CB-CD2 3.82Å; L162-L180 HydrophobicContact CB-CB 4.46Å; L162-L180 HydrophobicContact CD1-CB 3.58Å; L162-L180 HydrophobicContact CD1-CD1 4.46Å; L176-L180 HydrophobicContact CD1-CD1 3.89Å; L176-L180 HydrophobicContact CD1-CG 4.43Å; L176-L180 HydrophobicContact CG-CD1 4.07Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 3.22Å; L176-L180 VanDerWaalsContact O-N 3.11Å; V177-L180 PolarHBondContact O-N 2.94Å; L180-R184 WeakPolarHBondContact O-CB 3.4Å; L180-R184 PolarHBondContact O-N 3.03Å |
| 181 | E | 86.5 | Confident | 78.6 | Confident | 57 Ų | 57 | 77.7 Ų | 77.7 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 174.6 | -74.7 | -153 | 158.9 | 0 | 0 | 112.5 | L162 V177 C178 R184 R185 | L162-E181 HydrophobicContact CD1-CG 3.73Å; L162-E181 HydrophobicContact CD2-CG 4.47Å; V177-E181 HydrophobicContact CG1-CG 4.31Å; V177-E181 WeakPolarHBondContact O-CB 3.29Å; V177-E181 WeakPolarHBondContact O-CG 3.08Å; V177-E181 PolarHBondContact O-N 3.46Å; C178-E181 PolarHBondContact O-N 3.19Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.17Å; E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.36Å; E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE2-NH2 3.4Å; E181-R185 PolarHBondContact OE2-NH2 3.46Å |
| 182 | Q | 89.6 | Confident | 76.9 | Confident | 126 Ų | 126 | 79.3 Ų | 79.3 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.1 | -46.9 | 177.9 | -172.3 | 173.7 | 7.6 | 0 | 0 | 110.9 | C178 A179 R184 R185 L186 | C178-Q182 WeakPolarHBondContact O-CB 3.3Å; C178-Q182 PolarHBondContact O-N 2.87Å; A179-Q182 PolarHBondContact O-N 3.25Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 2.89Å; Q182-R185 WeakPolarHBondContact O-CB 3.49Å; Q182-R185 PolarHBondContact O-N 3.36Å; Q182-R185 VanDerWaalsContact O-N 3.09Å; Q182-L186 HydrophobicContact CG-CD1 4.33Å; Q182-L186 WeakPolarHBondContact O-CG 3.37Å; Q182-L186 PolarHBondContact O-N 3.48Å |
| 183 | E | 87.4 | Confident | 75.4 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 16% | 0.164 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 173.6 | -84.8 | -65.1 | 145.9 | 0 | 0 | 112.4 | C150 I158 A179 R185 L186 R187 | C150-E183 HydrophobicContact CB-CG 4.32Å; I158-E183 HydrophobicContact CD1-CB 3.86Å; A179-E183 PolarHBondContact O-N 2.88Å; E183-R185 VanDerWaalsContact C-N 3.33Å; E183-R185 PolarHBondContact O-N 3.37Å; E183-L186 PolarHBondContact O-N 3.32Å; E183-R187 WeakPolarHBondContact O-CD 3.31Å; E183-R187 VanDerWaalsContact O-CG 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.22Å; E183-R187 PolarHBondContact O-N 2.84Å; E183-R187 IonicContact OE2-CZ 3.73Å; E183-R187 IonicContact OE2-NE 3.73Å; E183-R187 PolarHBondContact OE2-NE 2.92Å; E183-R187 IonicContact OE2-NH2 3.32Å; E183-R187 PolarHBondContact OE2-NH2 3.5Å |
| 184 | R | 83.5 | Confident | 73.3 | Confident | 73 Ų | 73 | 76 Ų | 76 | 28% | 0.275 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 172.8 | -166.9 | -171.6 | 73.2 | -171.8 | -1.7 | 111.5 | I158 L180 E181 Q182 R187 L188 | I158-R184 HydrophobicContact CG2-CB 4.02Å; L180-R184 WeakPolarHBondContact O-CB 3.4Å; L180-R184 PolarHBondContact O-N 3.03Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.17Å; Q182-R184 VanDerWaalsContact C-N 3.32Å; Q182-R184 PolarHBondContact O-N 2.89Å; R184-R187 PolarHBondContact O-N 2.95Å; R184-L188 WeakPolarHBondContact O-CG 3.26Å; R184-L188 PolarHBondContact O-N 3.38Å |
| 185 | R | 81 | Confident | 71.2 | Confident | 161 Ų | 161 | 80 Ų | 80 | 61% | 0.608 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 178.7 | -72.5 | 177.9 | -162.3 | -150.9 | 7 | 112.2 | E181 Q182 E183 R187 L188 | E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.36Å; E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE2-NH2 3.4Å; E181-R185 PolarHBondContact OE2-NH2 3.46Å; Q182-R185 WeakPolarHBondContact O-CB 3.49Å; Q182-R185 PolarHBondContact O-N 3.36Å; Q182-R185 VanDerWaalsContact O-N 3.09Å; E183-R185 VanDerWaalsContact C-N 3.33Å; E183-R185 PolarHBondContact O-N 3.37Å; R185-R187 PolarHBondContact O-N 3.24Å; R185-L188 PolarHBondContact O-N 3.01Å |
| 186 | L | 81.3 | Confident | 69.1 | Low | 121 Ų | 121 | 79.3 Ų | 79.3 | 63% | 0.634 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63 | -26.9 | 177.8 | -71 | 169.5 | 0 | 0 | 0 | 113 | Q182 E183 | Q182-L186 HydrophobicContact CG-CD1 4.33Å; Q182-L186 WeakPolarHBondContact O-CG 3.37Å; Q182-L186 PolarHBondContact O-N 3.48Å; E183-L186 PolarHBondContact O-N 3.32Å |
| 187 | R | 78.5 | Confident | 67 | Low | 77 Ų | 77 | 85.2 Ų | 85.2 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -7.1 | -178.5 | -61.8 | 168 | -174.7 | -143.6 | 0.2 | 113.9 | P151 F153 E183 R184 R185 | P151-R187 PolarHBondContact O-NH2 3.29Å; F153-R187 PolarHBondContact O-NH1 2.81Å; F153-R187 PolarHBondContact O-NH2 3.38Å; E183-R187 WeakPolarHBondContact O-CD 3.31Å; E183-R187 VanDerWaalsContact O-CG 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.22Å; E183-R187 PolarHBondContact O-N 2.84Å; E183-R187 IonicContact OE2-CZ 3.73Å; E183-R187 IonicContact OE2-NE 3.73Å; E183-R187 PolarHBondContact OE2-NE 2.92Å; E183-R187 IonicContact OE2-NH2 3.32Å; E183-R187 PolarHBondContact OE2-NH2 3.5Å; R184-R187 PolarHBondContact O-N 2.95Å; R185-R187 PolarHBondContact O-N 3.24Å |
| 188 | L | 61.7 | Low | 65.1 | Low | 93 Ų | 93 | 90 Ų | 90 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -66.8 | 136.8 | 166.1 | -81.6 | 156.2 | 0 | 0 | 0 | 107.5 | R184 R185 | R184-L188 WeakPolarHBondContact O-CG 3.26Å; R184-L188 PolarHBondContact O-N 3.38Å; R185-L188 PolarHBondContact O-N 3.01Å |
| 189 | P | 54.3 | Low | 63 | Low | 100 Ų | 100 | 92.8 Ų | 92.8 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | trans | -54 | 132.4 | 178.6 | 20.6 | -30.7 | 0 | 0 | 0 | 109.5 | K191 | P189-K191 PolarHBondContact O-N 2.86Š| ||
| 190 | P | 49.8 | Very low | 61.2 | Low | 142 Ų | 142 | 92.8 Ų | 92.8 | 92% | 0.922 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -72.3 | 23.6 | -166.5 | 27.4 | -34.8 | 0 | 0 | 0 | 114.9 | ||
| 191 | K | 36.5 | Very low | 59.3 | Low | 163 Ų | 163 | 103.9 Ų | 103.9 | 71% | 0.709 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -150.1 | 122.5 | 171.6 | -153 | 169 | -179.8 | 170.1 | 0 | 107.7 | P189 | P189-K191 PolarHBondContact O-N 2.86Š|
| 192 | P | 40.8 | Very low | 57.9 | Low | 108 Ų | 108 | 103.2 Ų | 103.2 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -54 | 136.3 | 158.3 | 24.7 | -28.7 | 0 | 0 | 0 | 105.8 | ||
| 193 | P | 43.5 | Very low | 56.5 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 49% | 0.494 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 138.5 | 167.6 | 23.3 | -31.1 | 0 | 0 | 0 | 106.7 | ||
| 194 | P | 39.6 | Very low | 55.4 | Low | 89 Ų | 89 | 104.8 Ų | 104.8 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 140 | 176.5 | 22.4 | -32.6 | 0 | 0 | 0 | 107.4 | L196 | P194-L196 PolarHBondContact O-N 3.34Š|
| 195 | P | 40.4 | Very low | 54.6 | Low | 92 Ų | 92 | 102.4 Ų | 102.4 | 60% | 0.597 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 120.1 | 177.4 | 19.1 | -30 | 0 | 0 | 0 | 106.7 | Q197 P198 | P195-Q197 HydrophobicContact CB-CB 4.43Å; P195-Q197 HydrophobicContact CB-CG 4.23Å; P195-Q197 PolarHBondContact O-N 3.37Å; P195-P198 WeakPolarHBondContact O-CD 3.31Å |
| 196 | L | 47.2 | Very low | 54.1 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 37% | 0.366 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -65.7 | 10.3 | -177.6 | -78 | 163.8 | 0 | 0 | 0 | 111.9 | P194 L199 L200 L223 | P194-L196 PolarHBondContact O-N 3.34Å; L196-L199 HydrophobicContact CD2-CB 4.27Å; L196-L199 HydrophobicContact CD2-CD1 4.38Å; L196-L199 PolarHBondContact O-N 3.41Å; L196-L200 HydrophobicContact CB-CD1 3.87Å; L196-L200 HydrophobicContact CB-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.9Å; L196-L223 HydrophobicContact CD1-CD1 4.43Å |
| 197 | Q | 47.3 | Very low | 53.7 | Low | 127 Ų | 127 | 92.5 Ų | 92.5 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.8 | -174.3 | -71.5 | -179.7 | -22.3 | 0 | 0 | 113.8 | P195 | P195-Q197 HydrophobicContact CB-CB 4.43Å; P195-Q197 HydrophobicContact CB-CG 4.23Å; P195-Q197 PolarHBondContact O-N 3.37Å |
| 198 | P | 45.8 | Very low | 53.4 | Low | 104 Ų | 104 | 92 Ų | 92 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -27.6 | 171 | -10.5 | 26.1 | 0 | 0 | 0 | 112.5 | P195 | P195-P198 WeakPolarHBondContact O-CD 3.31Š|
| 199 | L | 46.1 | Very low | 53.9 | Low | 115 Ų | 115 | 88.4 Ų | 88.4 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -7.9 | -169.6 | -101.3 | 151 | 0 | 0 | 0 | 114.4 | L196 G205 | L196-L199 HydrophobicContact CD2-CB 4.27Å; L196-L199 HydrophobicContact CD2-CD1 4.38Å; L196-L199 PolarHBondContact O-N 3.41Å; L199-G205 WeakPolarHBondContact O-CA 3.42Å |
| 200 | L | 53.8 | Low | 54.9 | Low | 18 Ų | 18 | 83.8 Ų | 83.8 | 9% | 0.094 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 1 | 179.6 | -63.3 | 164.6 | 0 | 0 | 0 | 113.2 | L196 G202 L206 A209 L223 S226 | L196-L200 HydrophobicContact CB-CD1 3.87Å; L196-L200 HydrophobicContact CB-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.9Å; L200-G202 PolarHBondContact O-N 3.44Å; L200-L206 HydrophobicContact CD2-CD1 4.11Å; L200-A209 HydrophobicContact CD2-CB 4.01Å; L200-L223 HydrophobicContact CD1-CD1 3.36Å; L200-L223 HydrophobicContact CD2-CD1 3.69Å; L200-L223 HydrophobicContact CG-CD1 4.16Å; L200-S226 VanDerWaalsContact CD1-CB 3.42Å |
| 201 | R | 50.7 | Low | 56 | Low | 235 Ų | 235 | 79.6 Ų | 79.6 | 89% | 0.887 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -71.4 | 94.5 | 166.9 | -83.9 | -166.2 | -179.6 | -156.2 | 1.8 | 108.9 | ||
| 202 | G | 57.5 | Low | 57.6 | Low | 43 Ų | 43 | 74.1 Ų | 74.1 | 44% | 0.443 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 124.8 | 147.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L200 Q204 G205 L206 | L200-G202 PolarHBondContact O-N 3.44Å; G202-Q204 PolarHBondContact O-N 3.37Å; G202-Q204 VanDerWaalsContact O-N 3.16Å; G202-G205 PolarHBondContact O-N 3.07Å; G202-L206 PolarHBondContact O-N 3.42Å |
| 203 | G | 59.9 | Low | 58.7 | Low | 23 Ų | 23 | 73.2 Ų | 73.2 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -56.1 | -33.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L206 E207 | G203-L206 PolarHBondContact O-N 3.02Å; G203-E207 WeakPolarHBondContact O-CB 3.36Å; G203-E207 PolarHBondContact O-N 3.45Å |
| 204 | Q | 64.3 | Low | 59.5 | Low | 170 Ų | 170 | 78.7 Ų | 78.7 | 79% | 0.794 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67 | -40.6 | -179.5 | -67.5 | -178.7 | -0 | 0 | 0 | 113.3 | G202 L206 E207 A208 | G202-Q204 PolarHBondContact O-N 3.37Å; G202-Q204 VanDerWaalsContact O-N 3.16Å; Q204-L206 VanDerWaalsContact C-N 3.31Å; Q204-L206 PolarHBondContact O-N 3Å; Q204-E207 PolarHBondContact O-N 3.28Å; Q204-A208 WeakPolarHBondContact O-CB 3.26Å; Q204-A208 PolarHBondContact O-N 3.31Å |
| 205 | G | 66.4 | Low | 60.6 | Low | 23 Ų | 23 | 75 Ų | 75 | 24% | 0.237 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L199 G202 A208 A209 | L199-G205 WeakPolarHBondContact O-CA 3.42Å; G202-G205 PolarHBondContact O-N 3.07Å; G205-A208 PolarHBondContact O-N 3.38Å; G205-A209 WeakPolarHBondContact O-CB 3.37Å; G205-A209 PolarHBondContact O-N 2.74Å |
| 206 | L | 70.7 | Confident | 61.5 | Low | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 175.4 | -161.8 | 65.3 | 0 | 0 | 0 | 112.3 | L200 G202 G203 Q204 A208 A209 L210 L227 L235 V239 | L200-L206 HydrophobicContact CD2-CD1 4.11Å; G202-L206 PolarHBondContact O-N 3.42Å; G203-L206 PolarHBondContact O-N 3.02Å; Q204-L206 VanDerWaalsContact C-N 3.31Å; Q204-L206 PolarHBondContact O-N 3Å; L206-A208 PolarHBondContact O-N 2.87Å; L206-A209 PolarHBondContact O-N 3.1Å; L206-L210 HydrophobicContact CG-CD1 4.05Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CB 3.32Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 3.4Å; L206-L227 HydrophobicContact CD1-CD2 3.14Å; L206-L227 HydrophobicContact CD1-CG 3.64Å; L206-L227 HydrophobicContact CD2-CD2 3.46Å; L206-L227 VanDerWaalsContact CD2-CD2 3.46Å; L206-L227 HydrophobicContact CG-CD2 3.64Å; L206-L235 HydrophobicContact CD2-CD1 3.64Å; L206-L235 HydrophobicContact CD2-CD2 3.73Å; L206-L235 HydrophobicContact CD2-CG 4.36Å; L206-V239 HydrophobicContact CB-CG1 4.31Å; L206-V239 HydrophobicContact CD2-CG1 3.68Å; L206-V239 HydrophobicContact CG-CG1 4.13Å |
| 207 | E | 72.9 | Confident | 62.1 | Low | 71 Ų | 71 | 75.9 Ų | 75.9 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58 | -47.8 | 174.6 | -167 | 175.1 | 166.1 | 0 | 0 | 111.5 | G203 Q204 A209 L210 S211 H238 V239 L242 | G203-E207 WeakPolarHBondContact O-CB 3.36Å; G203-E207 PolarHBondContact O-N 3.45Å; Q204-E207 PolarHBondContact O-N 3.28Å; E207-A209 VanDerWaalsContact C-N 3.34Å; E207-A209 PolarHBondContact O-N 3.09Å; E207-L210 PolarHBondContact O-N 2.98Å; E207-S211 WeakPolarHBondContact O-CB 3.44Å; E207-S211 PolarHBondContact O-N 3.29Å; E207-S211 PolarHBondContact O-OG 3Å; E207-H238 IonicContact OE1-CD2 3.82Å; E207-H238 PolarHBondContact OE1-CD2 3.36Å; E207-H238 IonicContact OE1-NE2 3.66Å; E207-V239 HydrophobicContact CB-CG2 3.75Å; E207-V239 HydrophobicContact CG-CG2 4.03Å; E207-L242 HydrophobicContact CG-CD1 4.06Å |
| 208 | A | 72.9 | Confident | 62.8 | Low | 66 Ų | 66 | 74 Ų | 74 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q204 G205 L206 C212 | Q204-A208 WeakPolarHBondContact O-CB 3.26Å; Q204-A208 PolarHBondContact O-N 3.31Å; G205-A208 PolarHBondContact O-N 3.38Å; L206-A208 PolarHBondContact O-N 2.87Å; A208-C212 WeakPolarHBondContact O-CB 3.4Å; A208-C212 PolarHBondContact O-N 2.93Å |
| 209 | A | 72.1 | Confident | 63.6 | Low | 18 Ų | 18 | 69.7 Ų | 69.7 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L200 G205 L206 E207 S211 C212 F215 L223 | L200-A209 HydrophobicContact CD2-CB 4.01Å; G205-A209 WeakPolarHBondContact O-CB 3.37Å; G205-A209 PolarHBondContact O-N 2.74Å; L206-A209 PolarHBondContact O-N 3.1Å; E207-A209 VanDerWaalsContact C-N 3.34Å; E207-A209 PolarHBondContact O-N 3.09Å; A209-S211 VanDerWaalsContact C-N 3.34Å; A209-C212 WeakPolarHBondContact O-CB 3.18Å; A209-C212 PolarHBondContact O-N 3.43Å; A209-F215 WeakPolarHBondContact O-CB 3.42Å; A209-L223 HydrophobicContact CB-CD1 4.03Å; A209-L223 HydrophobicContact CB-CD2 3.86Å |
| 210 | L | 73.6 | Confident | 64.4 | Low | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.6 | -30.6 | 179.2 | -69.4 | 172.6 | 0 | 0 | 0 | 112.8 | L206 E207 F215 L227 V239 L242 L243 H246 | L206-L210 HydrophobicContact CG-CD1 4.05Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CB 3.32Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.26Å; L206-L210 PolarHBondContact O-N 3.4Å; E207-L210 PolarHBondContact O-N 2.98Å; L210-F215 HydrophobicContact CD2-CD1 4.26Å; L210-F215 HydrophobicContact CD2-CE1 3.87Å; L210-L227 HydrophobicContact CD2-CD1 4.23Å; L210-V239 HydrophobicContact CD1-CG1 4.21Å; L210-L242 HydrophobicContact CB-CB 3.95Å; L210-L242 HydrophobicContact CB-CD1 4.28Å; L210-L242 HydrophobicContact CD1-CB 3.96Å; L210-L243 HydrophobicContact CD1-CB 4.09Å; L210-H246 HydrophobicContact CD2-CB 4.08Å |
| 211 | S | 73.6 | Confident | 64.9 | Low | 54 Ų | 54 | 76.2 Ų | 76.2 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -81.8 | -15.6 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | E207 A209 P213 L242 | E207-S211 WeakPolarHBondContact O-CB 3.44Å; E207-S211 PolarHBondContact O-N 3.29Å; E207-S211 PolarHBondContact O-OG 3Å; A209-S211 VanDerWaalsContact C-N 3.34Å; S211-P213 WeakPolarHBondContact O-CD 3.45Å; S211-L242 WeakPolarHBondContact OG-CD1 3.38Å |
| 212 | C | 69.8 | Low | 65.5 | Low | 49 Ų | 49 | 72.5 Ų | 72.5 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | trans | -62.6 | 124.9 | -178.1 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | A208 A209 R214 F215 L216 | A208-C212 WeakPolarHBondContact O-CB 3.4Å; A208-C212 PolarHBondContact O-N 2.93Å; A209-C212 WeakPolarHBondContact O-CB 3.18Å; A209-C212 PolarHBondContact O-N 3.43Å; C212-R214 PolarHBondContact O-N 3.45Å; C212-F215 HydrophobicContact CB-CB 4.16Å; C212-F215 PolarHBondContact O-N 3.36Å; C212-L216 WeakPolarHBondContact O-CG 3.35Å; C212-L216 PolarHBondContact O-N 3.41Å | ||
| 213 | P | 64.9 | Low | 65.8 | Low | 88 Ų | 88 | 70.7 Ų | 70.7 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.6 | 179.4 | -28 | 35 | 0 | 0 | 0 | 114.7 | S211 R217 | S211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-R217 WeakPolarHBondContact O-CG 3.13Å; P213-R217 PolarHBondContact O-N 3.4Å |
| 214 | R | 60.5 | Low | 66.1 | Low | 192 Ų | 192 | 70.2 Ų | 70.2 | 73% | 0.725 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -41.8 | 176.5 | -70.3 | -177.9 | 170.9 | -172.1 | -2.9 | 111.3 | C212 R217 Y218 | C212-R214 PolarHBondContact O-N 3.45Å; R214-R217 PolarHBondContact O-N 3.1Å; R214-Y218 PolarHBondContact O-N 3.13Å |
| 215 | F | 62.5 | Low | 66.3 | Low | 12 Ų | 12 | 65.3 Ų | 65.3 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -32.8 | 179.4 | -163.9 | -103.7 | 0 | 0 | 0 | 112.2 | A209 L210 C212 R217 Y218 R220 L223 H246 | A209-F215 WeakPolarHBondContact O-CB 3.42Å; L210-F215 HydrophobicContact CD2-CD1 4.26Å; L210-F215 HydrophobicContact CD2-CE1 3.87Å; C212-F215 HydrophobicContact CB-CB 4.16Å; C212-F215 PolarHBondContact O-N 3.36Å; F215-R217 PolarHBondContact O-N 3.07Å; F215-Y218 PolarHBondContact O-N 2.83Å; F215-R220 HydrophobicContact CD2-CG 4.4Å; F215-R220 HydrophobicContact CE2-CB 4.01Å; F215-R220 HydrophobicContact CE2-CG 4.32Å; F215-L223 HydrophobicContact CD1-CD2 3.76Å; F215-L223 HydrophobicContact CD2-CD2 3.77Å; F215-L223 HydrophobicContact CE1-CD2 3.26Å; F215-L223 HydrophobicContact CE1-CG 4.49Å; F215-L223 HydrophobicContact CE2-CB 3.57Å; F215-L223 HydrophobicContact CE2-CD2 3.29Å; F215-L223 HydrophobicContact CE2-CG 3.98Å; F215-L223 HydrophobicContact CG-CD2 4Å; F215-L223 HydrophobicContact CZ-CB 3.76Å; F215-L223 HydrophobicContact CZ-CD2 3.05Å; F215-L223 HydrophobicContact CZ-CG 3.9Å; F215-H246 AromaticContact CD1-CE1 3.49Å; F215-H246 VanDerWaalsContact CD1-CE1 3.49Å; F215-H246 WeakPolarHBondContact CD1-CE1 3.32Å; F215-H246 AromaticContact CD1-ND1 3.66Å; F215-H246 AromaticContact CE1-CD2 3.81Å; F215-H246 AromaticContact CE1-CE1 2.94Å; F215-H246 WeakPolarHBondContact CE1-CE1 3.35Å; F215-H246 AromaticContact CE1-CG 3.84Å; F215-H246 AromaticContact CE1-ND1 3.31Å; F215-H246 VanDerWaalsContact CE1-ND1 3.31Å; F215-H246 WeakPolarHBondContact CE1-ND1 3.47Å; F215-H246 AromaticContact CE1-NE2 3.29Å; F215-H246 VanDerWaalsContact CE1-NE2 3.29Å; F215-H246 WeakPolarHBondContact CE1-NE2 3.46Å; F215-H246 AromaticContact CZ-CE1 3.39Å; F215-H246 WeakPolarHBondContact CZ-CE1 3.21Å; F215-H246 AromaticContact CZ-NE2 3.4Å; F215-H246 WeakPolarHBondContact CZ-NE2 3.28Å |
| 216 | L | 59.9 | Low | 66.2 | Low | 58 Ų | 58 | 65 Ų | 65 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.4 | 169.5 | -71.6 | 170.1 | 0 | 0 | 0 | 113.3 | C212 H250 | C212-L216 WeakPolarHBondContact O-CG 3.35Å; C212-L216 PolarHBondContact O-N 3.41Å; L216-H250 PolarHBondContact O-CE1 2.84Å; L216-H250 PolarHBondContact O-NE2 2.83Å |
| 217 | R | 58.7 | Low | 66 | Low | 121 Ų | 121 | 65.1 Ų | 65.1 | 46% | 0.457 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -41.5 | 176.9 | -71.1 | -179.4 | -173.2 | 177 | 2.8 | 112.9 | L52 P213 R214 F215 H250 | L52-R217 HydrophobicContact CD2-CB 4.37Å; L52-R217 WeakPolarHBondContact CD2-O 3.12Å; P213-R217 WeakPolarHBondContact O-CG 3.13Å; P213-R217 PolarHBondContact O-N 3.4Å; R214-R217 PolarHBondContact O-N 3.1Å; F215-R217 PolarHBondContact O-N 3.07Å; R217-H250 PolarHBondContact O-CE1 3.4Å |
| 218 | Y | 61.4 | Low | 65.6 | Low | 87 Ų | 87 | 63.3 Ų | 63.3 | 34% | 0.341 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -130.6 | 114.2 | -172.2 | -61.1 | -78.7 | 0 | 0 | 0 | 112 | G51 L54 R214 F215 R220 | G51-Y218 WeakPolarHBondContact O-CE2 3.15Å; G51-Y218 PolarHBondContact O-OH 3.49Å; L54-Y218 HydrophobicContact CD1-CD1 4.46Å; L54-Y218 HydrophobicContact CD2-CD1 4.47Å; L54-Y218 HydrophobicContact CG-CD1 4.12Å; L54-Y218 HydrophobicContact CG-CE1 4.19Å; R214-Y218 PolarHBondContact O-N 3.13Å; F215-Y218 PolarHBondContact O-N 2.83Å; Y218-R220 PolarHBondContact O-N 3.26Å |
| 219 | P | 64.1 | Low | 65.2 | Low | 15 Ų | 15 | 67.1 Ų | 67.1 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | trans | -71.3 | 124.8 | 174.9 | 29.2 | -33.7 | 0 | 0 | 0 | 109.8 | H250 L252 | P219-H250 HydrophobicContact CB-CB 4.2Å; P219-H250 WeakPolarHBondContact CD-ND1 3.26Å; P219-H250 HydrophobicContact CG-CB 4.02Å; P219-L252 HydrophobicContact CB-CD1 3.93Å; P219-L252 HydrophobicContact CB-CD2 4.41Å | ||
| 220 | R | 61.6 | Low | 64.7 | Low | 117 Ų | 117 | 67.5 Ų | 67.5 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | trans | -98.7 | 126.4 | 175.9 | -63.9 | -177.1 | 172.3 | 173 | -5.3 | 109.7 | F215 Y218 H222 L223 I224 | F215-R220 HydrophobicContact CD2-CG 4.4Å; F215-R220 HydrophobicContact CE2-CB 4.01Å; F215-R220 HydrophobicContact CE2-CG 4.32Å; Y218-R220 PolarHBondContact O-N 3.26Å; R220-H222 VanDerWaalsContact C-N 3.31Å; R220-H222 PolarHBondContact O-N 2.86Å; R220-L223 HydrophobicContact CB-CB 4.48Å; R220-L223 PolarHBondContact O-N 3.24Å; R220-I224 PolarHBondContact O-N 2.86Å | ||
| 221 | Q | 64.5 | Low | 64.4 | Low | 153 Ų | 153 | 75.6 Ų | 75.6 | 72% | 0.715 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -53.8 | -45.8 | 179.9 | -81.7 | 175.7 | -30.9 | 0 | 0 | 112.2 | L223 I224 S225 | Q221-L223 VanDerWaalsContact C-N 3.26Å; Q221-L223 PolarHBondContact O-N 3.15Å; Q221-I224 WeakPolarHBondContact O-CB 3.33Å; Q221-I224 PolarHBondContact O-N 3.44Å; Q221-S225 PolarHBondContact O-N 3.11Å; Q221-S225 PolarHBondContact O-OG 3.08Å |
| 222 | H | 63.5 | Low | 63.9 | Low | 156 Ų | 156 | 74.5 Ų | 74.5 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.2 | -35.5 | 177.3 | -65.9 | -68.3 | 0 | 0 | 0 | 113.8 | R220 S225 S226 | R220-H222 VanDerWaalsContact C-N 3.31Å; R220-H222 PolarHBondContact O-N 2.86Å; H222-S225 PolarHBondContact O-N 3.4Å; H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 2.95Å; H222-S226 VanDerWaalsContact O-OG 3.11Å |
| 223 | L | 64.5 | Low | 63.7 | Low | 6 Ų | 6 | 78.2 Ų | 78.2 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.7 | -35.4 | 177.1 | -160.5 | 80.7 | 0 | 0 | 0 | 111.5 | L196 L200 A209 F215 R220 Q221 S225 S226 L227 | L196-L223 HydrophobicContact CD1-CD1 4.43Å; L200-L223 HydrophobicContact CD1-CD1 3.36Å; L200-L223 HydrophobicContact CD2-CD1 3.69Å; L200-L223 HydrophobicContact CG-CD1 4.16Å; A209-L223 HydrophobicContact CB-CD1 4.03Å; A209-L223 HydrophobicContact CB-CD2 3.86Å; F215-L223 HydrophobicContact CD1-CD2 3.76Å; F215-L223 HydrophobicContact CD2-CD2 3.77Å; F215-L223 HydrophobicContact CE1-CD2 3.26Å; F215-L223 HydrophobicContact CE1-CG 4.49Å; F215-L223 HydrophobicContact CE2-CB 3.57Å; F215-L223 HydrophobicContact CE2-CD2 3.29Å; F215-L223 HydrophobicContact CE2-CG 3.98Å; F215-L223 HydrophobicContact CG-CD2 4Å; F215-L223 HydrophobicContact CZ-CB 3.76Å; F215-L223 HydrophobicContact CZ-CD2 3.05Å; F215-L223 HydrophobicContact CZ-CG 3.9Å; R220-L223 HydrophobicContact CB-CB 4.48Å; R220-L223 PolarHBondContact O-N 3.24Å; Q221-L223 VanDerWaalsContact C-N 3.26Å; Q221-L223 PolarHBondContact O-N 3.15Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S226 PolarHBondContact O-N 3.39Å; L223-L227 HydrophobicContact CD2-CD1 4.19Å; L223-L227 HydrophobicContact CG-CD1 4.21Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CD1 3.32Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.48Å; L223-L227 PolarHBondContact O-N 2.94Å |
| 224 | I | 66.5 | Low | 64 | Low | 13 Ų | 13 | 80.7 Ų | 80.7 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 175.4 | -61.6 | 168.5 | 0 | 0 | 0 | 109.7 | R220 Q221 L227 A228 L252 E254 L257 | R220-I224 PolarHBondContact O-N 2.86Å; Q221-I224 WeakPolarHBondContact O-CB 3.33Å; Q221-I224 PolarHBondContact O-N 3.44Å; I224-L227 WeakPolarHBondContact O-CB 3.45Å; I224-L227 PolarHBondContact O-N 3.34Å; I224-A228 WeakPolarHBondContact O-CB 3.28Å; I224-A228 PolarHBondContact O-N 3.43Å; I224-L252 HydrophobicContact CD1-CD1 3.62Å; I224-L252 HydrophobicContact CD1-CD2 4.06Å; I224-L252 HydrophobicContact CD1-CG 4.4Å; I224-L252 HydrophobicContact CG1-CD1 4.17Å; I224-E254 HydrophobicContact CG2-CG 3.67Å; I224-L257 HydrophobicContact CG2-CD1 4.17Å |
| 225 | S | 66.9 | Low | 64.9 | Low | 66 Ų | 66 | 72.3 Ų | 72.3 | 46% | 0.462 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 174.5 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | Q221 H222 L223 L227 A228 E229 | Q221-S225 PolarHBondContact O-N 3.11Å; Q221-S225 PolarHBondContact O-OG 3.08Å; H222-S225 PolarHBondContact O-N 3.4Å; L223-S225 VanDerWaalsContact C-N 3.32Å; S225-L227 VanDerWaalsContact C-N 3.3Å; S225-L227 PolarHBondContact O-N 3.1Å; S225-A228 PolarHBondContact O-N 3.04Å; S225-A228 VanDerWaalsContact O-N 3.11Å; S225-E229 WeakPolarHBondContact O-CG 3.5Å; S225-E229 PolarHBondContact O-N 3.3Å |
| 226 | S | 64.2 | Low | 66 | Low | 17 Ų | 17 | 75 Ų | 75 | 12% | 0.119 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -32.4 | 177.7 | -60 | 0 | 0 | 0 | 0 | 113.6 | L200 H222 L223 A228 E229 A230 | L200-S226 VanDerWaalsContact CD1-CB 3.42Å; H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 2.95Å; H222-S226 VanDerWaalsContact O-OG 3.11Å; L223-S226 PolarHBondContact O-N 3.39Å; S226-A228 VanDerWaalsContact C-N 3.34Å; S226-E229 PolarHBondContact O-N 3.28Å; S226-A230 PolarHBondContact O-N 3.33Å; S226-A230 VanDerWaalsContact O-N 3.15Å |
| 227 | L | 66.8 | Low | 67.4 | Low | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 172.9 | -88 | 162.7 | 0 | 0 | 0 | 111.6 | L206 L210 L223 I224 S225 E229 A230 L243 L257 | L206-L227 HydrophobicContact CD1-CD2 3.14Å; L206-L227 HydrophobicContact CD1-CG 3.64Å; L206-L227 HydrophobicContact CD2-CD2 3.46Å; L206-L227 VanDerWaalsContact CD2-CD2 3.46Å; L206-L227 HydrophobicContact CG-CD2 3.64Å; L210-L227 HydrophobicContact CD2-CD1 4.23Å; L223-L227 HydrophobicContact CD2-CD1 4.19Å; L223-L227 HydrophobicContact CG-CD1 4.21Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CD1 3.32Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.48Å; L223-L227 PolarHBondContact O-N 2.94Å; I224-L227 WeakPolarHBondContact O-CB 3.45Å; I224-L227 PolarHBondContact O-N 3.34Å; S225-L227 VanDerWaalsContact C-N 3.3Å; S225-L227 PolarHBondContact O-N 3.1Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-A230 PolarHBondContact O-N 2.92Å; L227-L243 HydrophobicContact CD1-CD1 3.83Å; L227-L243 HydrophobicContact CD2-CD1 3.7Å; L227-L243 HydrophobicContact CD2-CD2 4.33Å; L227-L243 HydrophobicContact CG-CD1 4.33Å; L227-L257 HydrophobicContact CB-CD1 4.14Å; L227-L257 HydrophobicContact CB-CD2 3.99Å; L227-L257 WeakPolarHBondContact O-CD2 3.45Å |
| 228 | A | 64.9 | Low | 68.9 | Low | 34 Ų | 34 | 73.8 Ų | 73.8 | 28% | 0.281 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.9 | -27.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | I224 S225 S226 L257 | I224-A228 WeakPolarHBondContact O-CB 3.28Å; I224-A228 PolarHBondContact O-N 3.43Å; S225-A228 PolarHBondContact O-N 3.04Å; S225-A228 VanDerWaalsContact O-N 3.11Å; S226-A228 VanDerWaalsContact C-N 3.34Å; A228-L257 HydrophobicContact CB-CD2 4.16Å; A228-L257 HydrophobicContact CB-CG 4.32Å |
| 229 | E | 65.6 | Low | 70.1 | Confident | 145 Ų | 145 | 69.6 Ų | 69.6 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -76.6 | -27.3 | 173 | -70.5 | 172.7 | -177.6 | 0 | 0 | 113.2 | S225 S226 L227 | S225-E229 WeakPolarHBondContact O-CG 3.5Å; S225-E229 PolarHBondContact O-N 3.3Å; S226-E229 PolarHBondContact O-N 3.28Å; L227-E229 VanDerWaalsContact C-N 3.31Å |
| 230 | A | 61.7 | Low | 71.3 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -70 | 130.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S226 L227 P232 | S226-A230 PolarHBondContact O-N 3.33Å; S226-A230 VanDerWaalsContact O-N 3.15Å; L227-A230 PolarHBondContact O-N 2.92Å; A230-P232 WeakPolarHBondContact O-CD 3.16Å; A230-P232 VanDerWaalsContact O-N 3.13Å |
| 231 | R | 65.9 | Low | 72.7 | Confident | 173 Ų | 173 | 63.7 Ų | 63.7 | 65% | 0.653 | 32% | 0.323 | S | S | * | . | trans | -65.9 | 111.5 | 175.3 | -73.5 | -174.5 | 179.7 | 171.1 | -1.7 | 109.3 | E233 E234 | R231-E233 PolarHBondContact O-N 3.32Å; R231-E233 VanDerWaalsContact O-N 3.16Å; R231-E234 HydrophobicContact CB-CG 4.26Å; R231-E234 PolarHBondContact O-N 2.87Å; R231-E234 VanDerWaalsContact O-N 3.13Å | ||
| 232 | P | 64.4 | Low | 73.8 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 20% | 0.201 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -66.6 | -22 | -172 | -1.6 | 10.7 | 0 | 0 | 0 | 113.1 | A230 E234 L235 M240 A260 | A230-P232 WeakPolarHBondContact O-CD 3.16Å; A230-P232 VanDerWaalsContact O-N 3.13Å; P232-E234 PolarHBondContact O-N 3.28Å; P232-L235 WeakPolarHBondContact O-CB 3.45Å; P232-L235 PolarHBondContact O-N 2.79Å; P232-M240 HydrophobicContact CB-CE 3.65Å; P232-M240 VanDerWaalsContact O-CE 3.25Å; P232-M240 WeakPolarHBondContact O-CE 3.37Å; P232-A260 HydrophobicContact CB-CB 3.51Å; P232-A260 HydrophobicContact CG-CB 3.07Å |
| 233 | E | 65.6 | Low | 74.9 | Confident | 128 Ų | 128 | 50.3 Ų | 50.3 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -62.4 | -27.1 | 176 | -65.7 | 167.5 | -151.6 | 0 | 0 | 113.1 | R231 L235 H263 | R231-E233 PolarHBondContact O-N 3.32Å; R231-E233 VanDerWaalsContact O-N 3.16Å; E233-L235 VanDerWaalsContact C-N 3.29Å; E233-H263 IonicContact OE1-CD2 3.87Å; E233-H263 IonicContact OE1-NE2 2.78Å |
| 234 | E | 71.1 | Confident | 76.1 | Confident | 140 Ų | 140 | 50 Ų | 50 | 65% | 0.654 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -85.7 | -4.2 | 179.8 | -62.3 | 173.8 | -166.4 | 0 | 0 | 112.4 | R231 P232 | R231-E234 HydrophobicContact CB-CG 4.26Å; R231-E234 PolarHBondContact O-N 2.87Å; R231-E234 VanDerWaalsContact O-N 3.13Å; P232-E234 PolarHBondContact O-N 3.28Å |
| 235 | L | 79 | Confident | 77.2 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -89.2 | 141.5 | -175.5 | -56.7 | -179.2 | 0 | 0 | 0 | 111.3 | L206 P232 E233 V239 M240 F264 | L206-L235 HydrophobicContact CD2-CD1 3.64Å; L206-L235 HydrophobicContact CD2-CD2 3.73Å; L206-L235 HydrophobicContact CD2-CG 4.36Å; P232-L235 WeakPolarHBondContact O-CB 3.45Å; P232-L235 PolarHBondContact O-N 2.79Å; E233-L235 VanDerWaalsContact C-N 3.29Å; L235-V239 HydrophobicContact CB-CB 4.41Å; L235-V239 HydrophobicContact CB-CG1 4.27Å; L235-V239 HydrophobicContact CD1-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG1 4.21Å; L235-V239 HydrophobicContact CG-CG1 4.48Å; L235-M240 HydrophobicContact CB-CE 4.1Å; L235-M240 HydrophobicContact CD1-CE 4.05Å; L235-F264 WeakPolarHBondContact O-CE2 3.38Å |
| 236 | T | 85.5 | Confident | 78 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | trans | -68.8 | 155.4 | 175.4 | 70.3 | 0 | 0 | 0 | 0 | 111 | H238 V239 M240 | T236-H238 PolarHBondContact O-N 3.34Å; T236-H238 VanDerWaalsContact O-N 3.1Å; T236-V239 PolarHBondContact O-N 3.5Å; T236-V239 WeakPolarHBondContact OG1-CG2 3.1Å; T236-V239 PolarHBondContact OG1-N 3.03Å; T236-M240 PolarHBondContact O-N 3.13Å | ||
| 237 | P | 89 | Confident | 79.1 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53.5 | -32.7 | 173.8 | -23.6 | 28.8 | 0 | 0 | 0 | 113.5 | V241 F264 L272 | P237-V241 VanDerWaalsContact O-CG2 3.29Å; P237-V241 WeakPolarHBondContact O-CG2 3.37Å; P237-V241 PolarHBondContact O-N 3.07Å; P237-F264 HydrophobicContact CB-CE1 4.39Å; P237-F264 HydrophobicContact CB-CZ 4.04Å; P237-F264 HydrophobicContact CG-CZ 3.89Å; P237-L272 HydrophobicContact CB-CD2 4.15Å; P237-L272 HydrophobicContact CG-CD2 4.41Å |
| 238 | H | 89.7 | Confident | 80.1 | Confident | 99 Ų | 99 | 47 Ų | 47 | 46% | 0.458 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -49.4 | 177 | -174.4 | 73.1 | 0 | 0 | 0 | 111.7 | E207 T236 M240 V241 L242 | E207-H238 IonicContact OE1-CD2 3.82Å; E207-H238 PolarHBondContact OE1-CD2 3.36Å; E207-H238 IonicContact OE1-NE2 3.66Å; T236-H238 PolarHBondContact O-N 3.34Å; T236-H238 VanDerWaalsContact O-N 3.1Å; H238-M240 VanDerWaalsContact C-N 3.32Å; H238-M240 PolarHBondContact O-N 3.04Å; H238-V241 WeakPolarHBondContact O-CB 3.33Å; H238-V241 PolarHBondContact O-N 3.3Å; H238-L242 WeakPolarHBondContact O-CG 3.34Å; H238-L242 PolarHBondContact O-N 3.25Å |
| 239 | V | 86.9 | Confident | 81 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 178.5 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | L206 E207 L210 L235 T236 V241 L242 L243 | L206-V239 HydrophobicContact CB-CG1 4.31Å; L206-V239 HydrophobicContact CD2-CG1 3.68Å; L206-V239 HydrophobicContact CG-CG1 4.13Å; E207-V239 HydrophobicContact CB-CG2 3.75Å; E207-V239 HydrophobicContact CG-CG2 4.03Å; L210-V239 HydrophobicContact CD1-CG1 4.21Å; L235-V239 HydrophobicContact CB-CB 4.41Å; L235-V239 HydrophobicContact CB-CG1 4.27Å; L235-V239 HydrophobicContact CD1-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG1 4.21Å; L235-V239 HydrophobicContact CG-CG1 4.48Å; T236-V239 PolarHBondContact O-N 3.5Å; T236-V239 WeakPolarHBondContact OG1-CG2 3.1Å; T236-V239 PolarHBondContact OG1-N 3.03Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.89Å; V239-L242 WeakPolarHBondContact O-CB 3.44Å; V239-L242 PolarHBondContact O-N 2.64Å; V239-L242 VanDerWaalsContact O-N 3.15Å; V239-L243 PolarHBondContact O-N 2.86Å |
| 240 | M | 89.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.1 | -161.3 | 60.3 | 72.3 | 0 | 0 | 112.4 | P232 L235 T236 H238 L243 A244 I261 F264 L280 | P232-M240 HydrophobicContact CB-CE 3.65Å; P232-M240 VanDerWaalsContact O-CE 3.25Å; P232-M240 WeakPolarHBondContact O-CE 3.37Å; L235-M240 HydrophobicContact CB-CE 4.1Å; L235-M240 HydrophobicContact CD1-CE 4.05Å; T236-M240 PolarHBondContact O-N 3.13Å; H238-M240 VanDerWaalsContact C-N 3.32Å; H238-M240 PolarHBondContact O-N 3.04Å; M240-L243 PolarHBondContact O-N 3.22Å; M240-L243 HydrophobicContact SD-CD2 4.01Å; M240-A244 WeakPolarHBondContact O-CB 3.42Å; M240-A244 PolarHBondContact O-N 2.94Å; M240-I261 HydrophobicContact CG-CG1 4.13Å; M240-I261 HydrophobicContact SD-CB 4.37Å; M240-I261 HydrophobicContact SD-CG1 3.5Å; M240-I261 VanDerWaalsContact SD-CG1 3.5Å; M240-F264 HydrophobicContact CB-CD1 4.24Å; M240-F264 HydrophobicContact CB-CE1 4.12Å; M240-F264 HydrophobicContact CB-CZ 4.35Å; M240-F264 HydrophobicContact CE-CB 3.97Å; M240-F264 HydrophobicContact CE-CD2 3.82Å; M240-F264 HydrophobicContact CE-CG 3.87Å; M240-F264 HydrophobicContact CG-CB 4.45Å; M240-F264 HydrophobicContact CG-CD1 3.81Å; M240-F264 HydrophobicContact CG-CE1 4.2Å; M240-F264 HydrophobicContact CG-CG 4.02Å; M240-L280 HydrophobicContact CB-CD2 3.89Å; M240-L280 HydrophobicContact CG-CD2 3.58Å |
| 241 | V | 91.3 | Very high | 83.1 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 172.8 | 163.6 | 0 | 0 | 0 | 0 | 111.6 | P237 H238 V239 L243 A244 Q245 V276 K279 L280 | P237-V241 VanDerWaalsContact O-CG2 3.29Å; P237-V241 WeakPolarHBondContact O-CG2 3.37Å; P237-V241 PolarHBondContact O-N 3.07Å; H238-V241 WeakPolarHBondContact O-CB 3.33Å; H238-V241 PolarHBondContact O-N 3.3Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.89Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.4Å; V241-A244 PolarHBondContact O-N 3.09Å; V241-Q245 HydrophobicContact CG1-CG 4.44Å; V241-Q245 WeakPolarHBondContact O-CB 3.47Å; V241-Q245 VanDerWaalsContact O-CG 3.26Å; V241-Q245 WeakPolarHBondContact O-CG 3.46Å; V241-Q245 PolarHBondContact O-N 3.13Å; V241-V276 HydrophobicContact CG2-CG1 3.73Å; V241-K279 HydrophobicContact CG1-CB 3.94Å; V241-K279 HydrophobicContact CG1-CD 3.42Å; V241-K279 VanDerWaalsContact CG1-CD 3.42Å; V241-K279 HydrophobicContact CG1-CG 4.34Å; V241-K279 HydrophobicContact CG2-CB 4.18Å; V241-K279 HydrophobicContact CG2-CD 4.27Å; V241-L280 HydrophobicContact CB-CD2 4.49Å; V241-L280 HydrophobicContact CG2-CD2 3.85Å; V241-L280 HydrophobicContact CG2-CG 4.09Å |
| 242 | L | 87.5 | Confident | 84.2 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 177.7 | -67.5 | 176.9 | 0 | 0 | 0 | 111.2 | E207 L210 S211 H238 V239 Q245 H246 | E207-L242 HydrophobicContact CG-CD1 4.06Å; L210-L242 HydrophobicContact CB-CB 3.95Å; L210-L242 HydrophobicContact CB-CD1 4.28Å; L210-L242 HydrophobicContact CD1-CB 3.96Å; S211-L242 WeakPolarHBondContact OG-CD1 3.38Å; H238-L242 WeakPolarHBondContact O-CG 3.34Å; H238-L242 PolarHBondContact O-N 3.25Å; V239-L242 WeakPolarHBondContact O-CB 3.44Å; V239-L242 PolarHBondContact O-N 2.64Å; V239-L242 VanDerWaalsContact O-N 3.15Å; L242-Q245 PolarHBondContact O-N 3.43Å; L242-H246 WeakPolarHBondContact O-CB 3.4Å; L242-H246 PolarHBondContact O-N 2.99Å |
| 243 | L | 86.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -52.3 | 175.5 | 178.3 | 57.7 | 0 | 0 | 0 | 111.3 | L210 L227 V239 M240 V241 Q245 H246 L247 L257 I261 | L210-L243 HydrophobicContact CD1-CB 4.09Å; L227-L243 HydrophobicContact CD1-CD1 3.83Å; L227-L243 HydrophobicContact CD2-CD1 3.7Å; L227-L243 HydrophobicContact CD2-CD2 4.33Å; L227-L243 HydrophobicContact CG-CD1 4.33Å; V239-L243 PolarHBondContact O-N 2.86Å; M240-L243 PolarHBondContact O-N 3.22Å; M240-L243 HydrophobicContact SD-CD2 4.01Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.4Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3.15Å; L243-H246 WeakPolarHBondContact O-CA 3.47Å; L243-H246 WeakPolarHBondContact O-CB 3.48Å; L243-H246 PolarHBondContact O-N 3.09Å; L243-L247 HydrophobicContact CD1-CD1 4.49Å; L243-L247 HydrophobicContact CD1-CG 4.28Å; L243-L247 HydrophobicContact CG-CD1 4.43Å; L243-L247 WeakPolarHBondContact O-CG 3.38Å; L243-L247 PolarHBondContact O-N 3.28Å; L243-L257 HydrophobicContact CD1-CD1 4.42Å; L243-L257 HydrophobicContact CD2-CD2 4.31Å; L243-I261 HydrophobicContact CG-CD1 4.44Å |
| 244 | A | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | M240 V241 A248 I261 K279 L280 P283 | M240-A244 WeakPolarHBondContact O-CB 3.42Å; M240-A244 PolarHBondContact O-N 2.94Å; V241-A244 PolarHBondContact O-N 3.09Å; A244-A248 WeakPolarHBondContact O-CB 3.48Å; A244-A248 PolarHBondContact O-N 3.34Å; A244-I261 HydrophobicContact CB-CD1 3.99Å; A244-K279 WeakPolarHBondContact CB-O 3.31Å; A244-L280 HydrophobicContact CB-CD2 4.21Å; A244-P283 HydrophobicContact CB-CG 3.84Å |
| 245 | Q | 88.6 | Confident | 87.2 | Confident | 32 Ų | 32 | 33.4 Ų | 33.4 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -37.7 | 175.5 | -73.8 | 176.1 | -18.1 | 0 | 0 | 112.6 | N33 V241 L242 L243 R249 | N33-Q245 PolarHBondContact OD1-NE2 3.36Å; V241-Q245 HydrophobicContact CG1-CG 4.44Å; V241-Q245 WeakPolarHBondContact O-CB 3.47Å; V241-Q245 VanDerWaalsContact O-CG 3.26Å; V241-Q245 WeakPolarHBondContact O-CG 3.46Å; V241-Q245 PolarHBondContact O-N 3.13Å; L242-Q245 PolarHBondContact O-N 3.43Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3.15Å; Q245-R249 WeakPolarHBondContact O-CB 3Å; Q245-R249 PolarHBondContact O-N 3.16Å |
| 246 | H | 83.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -51.2 | 177.1 | -176.7 | 81.6 | 0 | 0 | 0 | 111.2 | L210 F215 L242 L243 A248 R249 H250 | L210-H246 HydrophobicContact CD2-CB 4.08Å; F215-H246 AromaticContact CD1-CE1 3.49Å; F215-H246 VanDerWaalsContact CD1-CE1 3.49Å; F215-H246 WeakPolarHBondContact CD1-CE1 3.32Å; F215-H246 AromaticContact CD1-ND1 3.66Å; F215-H246 AromaticContact CE1-CD2 3.81Å; F215-H246 AromaticContact CE1-CE1 2.94Å; F215-H246 WeakPolarHBondContact CE1-CE1 3.35Å; F215-H246 AromaticContact CE1-CG 3.84Å; F215-H246 AromaticContact CE1-ND1 3.31Å; F215-H246 VanDerWaalsContact CE1-ND1 3.31Å; F215-H246 WeakPolarHBondContact CE1-ND1 3.47Å; F215-H246 AromaticContact CE1-NE2 3.29Å; F215-H246 VanDerWaalsContact CE1-NE2 3.29Å; F215-H246 WeakPolarHBondContact CE1-NE2 3.46Å; F215-H246 AromaticContact CZ-CE1 3.39Å; F215-H246 WeakPolarHBondContact CZ-CE1 3.21Å; F215-H246 AromaticContact CZ-NE2 3.4Å; F215-H246 WeakPolarHBondContact CZ-NE2 3.28Å; L242-H246 WeakPolarHBondContact O-CB 3.4Å; L242-H246 PolarHBondContact O-N 2.99Å; L243-H246 WeakPolarHBondContact O-CA 3.47Å; L243-H246 WeakPolarHBondContact O-CB 3.48Å; L243-H246 PolarHBondContact O-N 3.09Å; H246-A248 VanDerWaalsContact C-N 3.34Å; H246-A248 PolarHBondContact O-N 3.38Å; H246-R249 PolarHBondContact O-N 3.3Å; H246-H250 AromaticContact CE1-CD2 3.11Å; H246-H250 PolarHBondContact CE1-CD2 3.27Å; H246-H250 AromaticContact CE1-NE2 3.47Å; H246-H250 PolarHBondContact CE1-NE2 2.65Å; H246-H250 AromaticContact CG-CD2 3.9Å; H246-H250 AromaticContact ND1-CD2 3.33Å; H246-H250 PolarHBondContact ND1-CD2 2.7Å; H246-H250 VanDerWaalsContact ND1-CD2 3.33Å; H246-H250 AromaticContact ND1-NE2 3.63Å; H246-H250 AromaticContact NE2-CD2 3.57Å; H246-H250 PolarHBondContact O-CD2 3.37Å; H246-H250 VanDerWaalsContact O-CD2 3.3Å; H246-H250 PolarHBondContact O-N 2.83Å |
| 247 | L | 87.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.1 | -49 | 177.2 | -64.3 | 177.3 | 0 | 0 | 0 | 111.1 | L243 R251 L252 L257 L258 I261 P283 L287 | L243-L247 HydrophobicContact CD1-CD1 4.49Å; L243-L247 HydrophobicContact CD1-CG 4.28Å; L243-L247 HydrophobicContact CG-CD1 4.43Å; L243-L247 WeakPolarHBondContact O-CG 3.38Å; L243-L247 PolarHBondContact O-N 3.28Å; L247-R251 WeakPolarHBondContact O-CA 3.3Å; L247-R251 PolarHBondContact O-N 2.9Å; L247-L252 HydrophobicContact CD2-CB 3.85Å; L247-L252 HydrophobicContact CD2-CD1 4.31Å; L247-L252 PolarHBondContact O-N 3.05Å; L247-L257 HydrophobicContact CD1-CB 3.95Å; L247-L257 HydrophobicContact CD2-CD1 3.99Å; L247-L258 HydrophobicContact CD1-CD2 3.97Å; L247-L258 HydrophobicContact CD1-CG 4.35Å; L247-I261 HydrophobicContact CD1-CD1 3.79Å; L247-P283 HydrophobicContact CB-CB 4.42Å; L247-L287 HydrophobicContact CB-CD1 4.23Å |
| 248 | A | 88.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -49.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A244 H246 H250 R251 L282 P283 R286 | A244-A248 WeakPolarHBondContact O-CB 3.48Å; A244-A248 PolarHBondContact O-N 3.34Å; H246-A248 VanDerWaalsContact C-N 3.34Å; H246-A248 PolarHBondContact O-N 3.38Å; A248-H250 PolarHBondContact O-N 3.43Å; A248-R251 PolarHBondContact O-N 2.83Å; A248-L282 HydrophobicContact CB-CD2 4.12Å; A248-L282 HydrophobicContact CB-CG 4.2Å; A248-P283 HydrophobicContact CB-CB 4.29Å; A248-R286 VanDerWaalsContact O-CD 3.32Å; A248-R286 WeakPolarHBondContact O-CD 3.31Å; A248-R286 PolarHBondContact O-NE 3.31Å |
| 249 | R | 83.3 | Confident | 87.7 | Confident | 115 Ų | 115 | 31 Ų | 31 | 43% | 0.434 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.4 | -45.9 | -178 | -178.5 | -178.4 | -62.3 | 116.6 | -0.3 | 111.7 | Q245 H246 | Q245-R249 WeakPolarHBondContact O-CB 3Å; Q245-R249 PolarHBondContact O-N 3.16Å; H246-R249 PolarHBondContact O-N 3.3Å |
| 250 | H | 83.2 | Confident | 87.9 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -91.5 | 0.1 | -175 | -65.6 | -65.6 | 0 | 0 | 0 | 114.3 | L216 R217 P219 H246 A248 L252 | L216-H250 PolarHBondContact O-CE1 2.84Å; L216-H250 PolarHBondContact O-NE2 2.83Å; R217-H250 PolarHBondContact O-CE1 3.4Å; P219-H250 HydrophobicContact CB-CB 4.2Å; P219-H250 WeakPolarHBondContact CD-ND1 3.26Å; P219-H250 HydrophobicContact CG-CB 4.02Å; H246-H250 AromaticContact CE1-CD2 3.11Å; H246-H250 PolarHBondContact CE1-CD2 3.27Å; H246-H250 AromaticContact CE1-NE2 3.47Å; H246-H250 PolarHBondContact CE1-NE2 2.65Å; H246-H250 AromaticContact CG-CD2 3.9Å; H246-H250 AromaticContact ND1-CD2 3.33Å; H246-H250 PolarHBondContact ND1-CD2 2.7Å; H246-H250 VanDerWaalsContact ND1-CD2 3.33Å; H246-H250 AromaticContact ND1-NE2 3.63Å; H246-H250 AromaticContact NE2-CD2 3.57Å; H246-H250 PolarHBondContact O-CD2 3.37Å; H246-H250 VanDerWaalsContact O-CD2 3.3Å; H246-H250 PolarHBondContact O-N 2.83Å; A248-H250 PolarHBondContact O-N 3.43Å; H250-L252 VanDerWaalsContact C-N 3.27Å; H250-L252 HydrophobicContact CB-CD1 3.87Å; H250-L252 HydrophobicContact CB-CD2 4.27Å; H250-L252 HydrophobicContact CB-CG 3.69Å; H250-L252 PolarHBondContact O-N 3.35Å |
| 251 | R | 88 | Confident | 88 | Confident | 42 Ų | 42 | 31.5 Ų | 31.5 | 16% | 0.158 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 38.6 | -179.4 | -52.8 | 175.7 | -64.6 | -170.5 | 9.9 | 112.3 | L247 A248 L287 W485 R489 L495 | L247-R251 WeakPolarHBondContact O-CA 3.3Å; L247-R251 PolarHBondContact O-N 2.9Å; A248-R251 PolarHBondContact O-N 2.83Å; R251-L287 VanDerWaalsContact CA-CD2 3.48Å; R251-L287 HydrophobicContact CB-CD2 4.28Å; R251-W485 VanDerWaalsContact NH1-C 3.32Å; R251-W485 VanDerWaalsContact NH1-CB 3.3Å; R251-W485 PolarHBondContact NH1-O 3.47Å; R251-R489 WeakPolarHBondContact O-CB 3.33Å; R251-R489 PolarHBondContact O-N 3.19Å; R251-L495 HydrophobicContact CB-CD2 4.17Å; R251-L495 HydrophobicContact CG-CD1 4.41Å; R251-L495 HydrophobicContact CG-CD2 3.94Å |
| 252 | L | 88 | Confident | 88.1 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | trans | -89.1 | 110.1 | -178.2 | -57.2 | 172.2 | 0 | 0 | 0 | 108.7 | P219 I224 L247 H250 E254 L287 R489 | P219-L252 HydrophobicContact CB-CD1 3.93Å; P219-L252 HydrophobicContact CB-CD2 4.41Å; I224-L252 HydrophobicContact CD1-CD1 3.62Å; I224-L252 HydrophobicContact CD1-CD2 4.06Å; I224-L252 HydrophobicContact CD1-CG 4.4Å; I224-L252 HydrophobicContact CG1-CD1 4.17Å; L247-L252 HydrophobicContact CD2-CB 3.85Å; L247-L252 HydrophobicContact CD2-CD1 4.31Å; L247-L252 PolarHBondContact O-N 3.05Å; H250-L252 VanDerWaalsContact C-N 3.27Å; H250-L252 HydrophobicContact CB-CD1 3.87Å; H250-L252 HydrophobicContact CB-CD2 4.27Å; H250-L252 HydrophobicContact CB-CG 3.69Å; H250-L252 PolarHBondContact O-N 3.35Å; L252-E254 HydrophobicContact CB-CG 4.36Å; L252-E254 PolarHBondContact O-N 2.9Å; L252-L287 WeakPolarHBondContact O-CD1 3.3Å; L252-R489 HydrophobicContact CD2-CB 4.24Å; L252-R489 VanDerWaalsContact CD2-CD 3.43Å; L252-R489 HydrophobicContact CD2-CG 4.48Å | ||
| 253 | R | 88.8 | Confident | 88.3 | Confident | 71 Ų | 71 | 32.9 Ų | 32.9 | 27% | 0.268 | 15% | 0.152 | S | C | . | . | trans | -98.2 | 73.1 | -179.3 | -169.1 | -177.3 | -179.5 | -75.6 | 1.4 | 109.6 | P255 L258 L287 Y289 C488 | R253-P255 WeakPolarHBondContact O-CD 3.24Å; R253-L258 HydrophobicContact CG-CD1 4.26Å; R253-L287 HydrophobicContact CG-CB 4.39Å; R253-Y289 HydrophobicContact CG-CD2 4.19Å; R253-Y289 VanDerWaalsContact CZ-CD2 3.42Å; R253-Y289 VanDerWaalsContact NH2-CD2 3.34Å; R253-C488 HydrophobicContact CB-CB 4.05Å | ||
| 254 | E | 87.5 | Confident | 88.5 | Confident | 75 Ų | 75 | 33 Ų | 33 | 35% | 0.35 | 15% | 0.152 | S | C | . | . | trans | -96.1 | 104.2 | -179.1 | -61.6 | -62.4 | 161.3 | 0 | 0 | 109.9 | I224 L252 Q256 L257 L258 | I224-E254 HydrophobicContact CG2-CG 3.67Å; L252-E254 HydrophobicContact CB-CG 4.36Å; L252-E254 PolarHBondContact O-N 2.9Å; E254-Q256 PolarHBondContact O-N 2.97Å; E254-L257 HydrophobicContact CB-CB 4.19Å; E254-L257 HydrophobicContact CB-CD1 4.01Å; E254-L257 HydrophobicContact CB-CG 4.24Å; E254-L257 HydrophobicContact CG-CD1 4.34Å; E254-L257 PolarHBondContact O-N 2.8Å; E254-L258 WeakPolarHBondContact O-CG 3.33Å; E254-L258 PolarHBondContact O-N 3.34Å; E254-L258 VanDerWaalsContact O-N 3.08Å | ||
| 255 | P | 88.2 | Confident | 88.7 | Confident | 60 Ų | 60 | 33.1 Ų | 33.1 | 39% | 0.39 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -56.8 | -44.4 | -171.5 | -27.2 | 36.7 | 0 | 0 | 0 | 113.5 | R253 L257 L258 E259 Y289 | R253-P255 WeakPolarHBondContact O-CD 3.24Å; P255-L257 VanDerWaalsContact C-N 3.33Å; P255-L257 PolarHBondContact O-N 3.25Å; P255-L258 PolarHBondContact O-N 3.2Å; P255-L258 VanDerWaalsContact O-N 3.1Å; P255-E259 WeakPolarHBondContact O-CG 3.47Å; P255-E259 PolarHBondContact O-N 3.32Å; P255-Y289 HydrophobicContact CB-CE2 3.85Å; P255-Y289 HydrophobicContact CG-CE2 4.15Å |
| 256 | Q | 85.4 | Confident | 89 | Confident | 142 Ų | 142 | 33 Ų | 33 | 66% | 0.664 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -57.7 | -44.6 | -179.4 | -68.2 | 175.6 | -15 | 0 | 0 | 112.2 | E254 L258 A260 | E254-Q256 PolarHBondContact O-N 2.97Å; Q256-L258 VanDerWaalsContact C-N 3.35Å; Q256-A260 VanDerWaalsContact O-CB 3.23Å; Q256-A260 WeakPolarHBondContact O-CB 3.41Å; Q256-A260 PolarHBondContact O-N 3.2Å |
| 257 | L | 87.5 | Confident | 89.3 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.1 | -29.4 | 178.5 | -64.8 | 178 | 0 | 0 | 0 | 112.8 | I224 L227 A228 L243 L247 E254 P255 A260 I261 | I224-L257 HydrophobicContact CG2-CD1 4.17Å; L227-L257 HydrophobicContact CB-CD1 4.14Å; L227-L257 HydrophobicContact CB-CD2 3.99Å; L227-L257 WeakPolarHBondContact O-CD2 3.45Å; A228-L257 HydrophobicContact CB-CD2 4.16Å; A228-L257 HydrophobicContact CB-CG 4.32Å; L243-L257 HydrophobicContact CD1-CD1 4.42Å; L243-L257 HydrophobicContact CD2-CD2 4.31Å; L247-L257 HydrophobicContact CD1-CB 3.95Å; L247-L257 HydrophobicContact CD2-CD1 3.99Å; E254-L257 HydrophobicContact CB-CB 4.19Å; E254-L257 HydrophobicContact CB-CD1 4.01Å; E254-L257 HydrophobicContact CB-CG 4.24Å; E254-L257 HydrophobicContact CG-CD1 4.34Å; E254-L257 PolarHBondContact O-N 2.8Å; P255-L257 VanDerWaalsContact C-N 3.33Å; P255-L257 PolarHBondContact O-N 3.25Å; L257-A260 WeakPolarHBondContact O-CB 3.33Å; L257-I261 WeakPolarHBondContact O-CD1 3.25Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.18Å; L257-I261 PolarHBondContact O-N 2.93Å |
| 258 | L | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75 | -44 | 177 | -69.7 | 168 | 0 | 0 | 0 | 110.9 | L247 R253 E254 P255 Q256 A260 I261 A262 P283 F284 L287 Y289 | L247-L258 HydrophobicContact CD1-CD2 3.97Å; L247-L258 HydrophobicContact CD1-CG 4.35Å; R253-L258 HydrophobicContact CG-CD1 4.26Å; E254-L258 WeakPolarHBondContact O-CG 3.33Å; E254-L258 PolarHBondContact O-N 3.34Å; E254-L258 VanDerWaalsContact O-N 3.08Å; P255-L258 PolarHBondContact O-N 3.2Å; P255-L258 VanDerWaalsContact O-N 3.1Å; Q256-L258 VanDerWaalsContact C-N 3.35Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 2.74Å; L258-I261 PolarHBondContact O-N 3.39Å; L258-A262 PolarHBondContact O-N 3.42Å; L258-P283 HydrophobicContact CD2-CB 3.85Å; L258-P283 HydrophobicContact CD2-CG 4.31Å; L258-F284 HydrophobicContact CB-CD1 4.45Å; L258-F284 HydrophobicContact CB-CE1 3.9Å; L258-F284 HydrophobicContact CD2-CD1 4.17Å; L258-F284 HydrophobicContact CD2-CE1 4.07Å; L258-F284 WeakPolarHBondContact O-CE1 3.5Å; L258-F284 VanDerWaalsContact O-CZ 3.26Å; L258-F284 WeakPolarHBondContact O-CZ 3.22Å; L258-L287 HydrophobicContact CD1-CD1 4.18Å; L258-L287 HydrophobicContact CD2-CD1 4.06Å; L258-Y289 HydrophobicContact CB-CD1 3.81Å; L258-Y289 HydrophobicContact CB-CE1 3.69Å; L258-Y289 HydrophobicContact CB-CG 4.27Å; L258-Y289 HydrophobicContact CD1-CD1 3.94Å; L258-Y289 HydrophobicContact CD1-CD2 3.57Å; L258-Y289 HydrophobicContact CD1-CE1 4.41Å; L258-Y289 HydrophobicContact CD1-CE2 4.14Å; L258-Y289 HydrophobicContact CD1-CG 3.51Å; L258-Y289 HydrophobicContact CG-CD1 4.42Å; L258-Y289 HydrophobicContact CG-CG 4.44Å |
| 259 | E | 90.5 | Very high | 89.7 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 172.8 | -67.5 | -52.7 | 143.2 | 0 | 0 | 111.7 | P255 I261 A262 H263 Y289 P291 L292 E293 | P255-E259 WeakPolarHBondContact O-CG 3.47Å; P255-E259 PolarHBondContact O-N 3.32Å; E259-I261 PolarHBondContact O-N 2.93Å; E259-A262 WeakPolarHBondContact O-CB 3.42Å; E259-A262 PolarHBondContact O-N 2.94Å; E259-A262 VanDerWaalsContact O-N 3.1Å; E259-H263 WeakPolarHBondContact O-CB 3.28Å; E259-H263 PolarHBondContact O-N 2.79Å; E259-Y289 WeakPolarHBondContact CG-OH 3.38Å; E259-Y289 WeakPolarHBondContact OE1-CE1 3.39Å; E259-Y289 VanDerWaalsContact OE1-CZ 3.25Å; E259-Y289 PolarHBondContact OE1-OH 3Å; E259-P291 WeakPolarHBondContact OE1-CA 3.46Å; E259-L292 PolarHBondContact OE1-N 3.16Å; E259-L292 PolarHBondContact OE2-N 2.79Å; E259-L292 VanDerWaalsContact OE2-N 3.09Å; E259-E293 PolarHBondContact OE2-N 3.44Å |
| 260 | A | 89.9 | Confident | 90.1 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.5 | -47.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P232 Q256 L257 L258 A262 F264 | P232-A260 HydrophobicContact CB-CB 3.51Å; P232-A260 HydrophobicContact CG-CB 3.07Å; Q256-A260 VanDerWaalsContact O-CB 3.23Å; Q256-A260 WeakPolarHBondContact O-CB 3.41Å; Q256-A260 PolarHBondContact O-N 3.2Å; L257-A260 WeakPolarHBondContact O-CB 3.33Å; L258-A260 VanDerWaalsContact C-N 3.31Å; L258-A260 PolarHBondContact O-N 2.74Å; A260-A262 VanDerWaalsContact C-N 3.32Å; A260-F264 VanDerWaalsContact O-CB 3.32Å; A260-F264 WeakPolarHBondContact O-CB 3.32Å; A260-F264 PolarHBondContact O-N 3.18Å |
| 261 | I | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 176 | -67.6 | 160.9 | 0 | 0 | 0 | 110.6 | M240 L243 A244 L247 L257 L258 E259 F264 L265 L280 P283 F284 | M240-I261 HydrophobicContact CG-CG1 4.13Å; M240-I261 HydrophobicContact SD-CB 4.37Å; M240-I261 HydrophobicContact SD-CG1 3.5Å; M240-I261 VanDerWaalsContact SD-CG1 3.5Å; L243-I261 HydrophobicContact CG-CD1 4.44Å; A244-I261 HydrophobicContact CB-CD1 3.99Å; L247-I261 HydrophobicContact CD1-CD1 3.79Å; L257-I261 WeakPolarHBondContact O-CD1 3.25Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.18Å; L257-I261 PolarHBondContact O-N 2.93Å; L258-I261 PolarHBondContact O-N 3.39Å; E259-I261 PolarHBondContact O-N 2.93Å; I261-F264 PolarHBondContact O-N 3.36Å; I261-L265 HydrophobicContact CG2-CD1 4.3Å; I261-L265 WeakPolarHBondContact O-CG 3.08Å; I261-L265 PolarHBondContact O-N 3.41Å; I261-L280 HydrophobicContact CG2-CB 4.14Å; I261-L280 HydrophobicContact CG2-CD2 4.32Å; I261-P283 HydrophobicContact CD1-CG 4.43Å; I261-F284 HydrophobicContact CB-CZ 3.93Å; I261-F284 HydrophobicContact CG2-CE2 3.83Å; I261-F284 HydrophobicContact CG2-CZ 3.77Å |
| 262 | A | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L258 E259 A260 L265 V266 F284 P291 E293 F296 | L258-A262 PolarHBondContact O-N 3.42Å; E259-A262 WeakPolarHBondContact O-CB 3.42Å; E259-A262 PolarHBondContact O-N 2.94Å; E259-A262 VanDerWaalsContact O-N 3.1Å; A260-A262 VanDerWaalsContact C-N 3.32Å; A262-L265 WeakPolarHBondContact O-CB 3.34Å; A262-L265 PolarHBondContact O-N 2.97Å; A262-V266 WeakPolarHBondContact O-CG2 3.16Å; A262-V266 PolarHBondContact O-N 2.98Å; A262-F284 HydrophobicContact CB-CE1 4.3Å; A262-F284 HydrophobicContact CB-CZ 3.87Å; A262-P291 HydrophobicContact CB-CB 3.64Å; A262-P291 HydrophobicContact CB-CG 3.86Å; A262-E293 HydrophobicContact CB-CB 4.1Å; A262-F296 HydrophobicContact CB-CD2 3.75Å; A262-F296 HydrophobicContact CB-CE2 4.19Å |
| 263 | H | 91.5 | Very high | 90.8 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 30% | 0.296 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.4 | -171.8 | 67.1 | 0 | 0 | 0 | 111.5 | E233 E259 L265 V266 V267 E293 | E233-H263 IonicContact OE1-CD2 3.87Å; E233-H263 IonicContact OE1-NE2 2.78Å; E259-H263 WeakPolarHBondContact O-CB 3.28Å; E259-H263 PolarHBondContact O-N 2.79Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.04Å; H263-V266 WeakPolarHBondContact O-CB 3.34Å; H263-V266 PolarHBondContact O-N 3Å; H263-V267 WeakPolarHBondContact NE2-CG2 3.36Å; H263-V267 WeakPolarHBondContact O-CG2 3.41Å; H263-V267 PolarHBondContact O-N 3.05Å; H263-E293 IonicContact ND1-OE2 3.85Å; H263-E293 PolarHBondContact ND1-OE2 3.33Å |
| 264 | F | 92.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.5 | -42 | 175.2 | 179.2 | -89 | 0 | 0 | 0 | 112.6 | L235 P237 M240 A260 I261 V266 V267 Q268 L272 L280 | L235-F264 WeakPolarHBondContact O-CE2 3.38Å; P237-F264 HydrophobicContact CB-CE1 4.39Å; P237-F264 HydrophobicContact CB-CZ 4.04Å; P237-F264 HydrophobicContact CG-CZ 3.89Å; M240-F264 HydrophobicContact CB-CD1 4.24Å; M240-F264 HydrophobicContact CB-CE1 4.12Å; M240-F264 HydrophobicContact CB-CZ 4.35Å; M240-F264 HydrophobicContact CE-CB 3.97Å; M240-F264 HydrophobicContact CE-CD2 3.82Å; M240-F264 HydrophobicContact CE-CG 3.87Å; M240-F264 HydrophobicContact CG-CB 4.45Å; M240-F264 HydrophobicContact CG-CD1 3.81Å; M240-F264 HydrophobicContact CG-CE1 4.2Å; M240-F264 HydrophobicContact CG-CG 4.02Å; A260-F264 VanDerWaalsContact O-CB 3.32Å; A260-F264 WeakPolarHBondContact O-CB 3.32Å; A260-F264 PolarHBondContact O-N 3.18Å; I261-F264 PolarHBondContact O-N 3.36Å; F264-V266 VanDerWaalsContact C-N 3.31Å; F264-V266 PolarHBondContact O-N 3.17Å; F264-V267 PolarHBondContact O-N 2.89Å; F264-Q268 HydrophobicContact CD2-CG 4.13Å; F264-Q268 HydrophobicContact CE1-CB 4.33Å; F264-Q268 HydrophobicContact CE1-CG 4.21Å; F264-Q268 HydrophobicContact CE2-CG 3.77Å; F264-Q268 HydrophobicContact CG-CG 4.5Å; F264-Q268 HydrophobicContact CZ-CB 4.35Å; F264-Q268 HydrophobicContact CZ-CG 3.81Å; F264-Q268 WeakPolarHBondContact O-CB 3.37Å; F264-Q268 PolarHBondContact O-N 3.43Å; F264-L272 HydrophobicContact CE1-CD1 4.25Å; F264-L272 HydrophobicContact CE1-CD2 4.21Å; F264-L280 HydrophobicContact CD1-CD1 4.13Å; F264-L280 HydrophobicContact CE1-CD1 4.09Å |
| 265 | L | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 175.5 | -83.3 | 164.3 | 0 | 0 | 0 | 112.3 | I261 A262 H263 E269 L272 V277 L280 V281 F284 F296 C299 | I261-L265 HydrophobicContact CG2-CD1 4.3Å; I261-L265 WeakPolarHBondContact O-CG 3.08Å; I261-L265 PolarHBondContact O-N 3.41Å; A262-L265 WeakPolarHBondContact O-CB 3.34Å; A262-L265 PolarHBondContact O-N 2.97Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.04Å; L265-E269 WeakPolarHBondContact O-CA 3.46Å; L265-E269 PolarHBondContact O-N 3.34Å; L265-L272 HydrophobicContact CD2-CD1 3.85Å; L265-V277 HydrophobicContact CD2-CB 4.41Å; L265-V277 HydrophobicContact CD2-CG1 4.05Å; L265-V277 HydrophobicContact CD2-CG2 4.07Å; L265-L280 HydrophobicContact CD1-CB 4.05Å; L265-L280 HydrophobicContact CD2-CB 3.93Å; L265-L280 HydrophobicContact CD2-CD1 3.63Å; L265-L280 HydrophobicContact CD2-CG 4.43Å; L265-L280 HydrophobicContact CG-CB 4.12Å; L265-L280 HydrophobicContact CG-CD1 4.06Å; L265-V281 HydrophobicContact CD1-CG2 4.02Å; L265-F284 HydrophobicContact CD1-CE2 4.07Å; L265-F296 HydrophobicContact CD1-CD2 4.42Å; L265-F296 HydrophobicContact CD1-CE2 3.75Å; L265-C299 PolarHBondContact O-SG 2.84Å; L265-C299 VanDerWaalsContact O-SG 3.32Å |
| 266 | V | 93.8 | Very high | 91.4 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.6 | -48.5 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 111 | A262 H263 F264 Q268 E269 E293 Q295 C299 | A262-V266 WeakPolarHBondContact O-CG2 3.16Å; A262-V266 PolarHBondContact O-N 2.98Å; H263-V266 WeakPolarHBondContact O-CB 3.34Å; H263-V266 PolarHBondContact O-N 3Å; F264-V266 VanDerWaalsContact C-N 3.31Å; F264-V266 PolarHBondContact O-N 3.17Å; V266-Q268 PolarHBondContact O-N 2.77Å; V266-E269 WeakPolarHBondContact O-CB 3.04Å; V266-E269 PolarHBondContact O-N 3.13Å; V266-E293 HydrophobicContact CG2-CG 3.76Å; V266-Q295 HydrophobicContact CB-CB 4.44Å; V266-Q295 HydrophobicContact CG1-CB 3.67Å; V266-Q295 HydrophobicContact CG1-CG 4.43Å; V266-Q295 HydrophobicContact CG2-CB 3.83Å; V266-C299 HydrophobicContact CG2-CB 4.1Å |
| 267 | V | 91.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.3 | -39.2 | -177.8 | 174 | 0 | 0 | 0 | 0 | 111.9 | H263 F264 | H263-V267 WeakPolarHBondContact NE2-CG2 3.36Å; H263-V267 WeakPolarHBondContact O-CG2 3.41Å; H263-V267 PolarHBondContact O-N 3.05Å; F264-V267 PolarHBondContact O-N 2.89Å |
| 268 | Q | 91.2 | Very high | 92.1 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 13.5 | -175.4 | -62.3 | -67.5 | -21.3 | 0 | 0 | 113.6 | F264 V266 T270 Q271 L272 | F264-Q268 HydrophobicContact CD2-CG 4.13Å; F264-Q268 HydrophobicContact CE1-CB 4.33Å; F264-Q268 HydrophobicContact CE1-CG 4.21Å; F264-Q268 HydrophobicContact CE2-CG 3.77Å; F264-Q268 HydrophobicContact CG-CG 4.5Å; F264-Q268 HydrophobicContact CZ-CB 4.35Å; F264-Q268 HydrophobicContact CZ-CG 3.81Å; F264-Q268 WeakPolarHBondContact O-CB 3.37Å; F264-Q268 PolarHBondContact O-N 3.43Å; V266-Q268 PolarHBondContact O-N 2.77Å; Q268-T270 VanDerWaalsContact C-N 3.26Å; Q268-T270 PolarHBondContact O-N 3.17Å; Q268-Q271 PolarHBondContact O-N 3.31Å; Q268-L272 HydrophobicContact CB-CD1 3.91Å; Q268-L272 HydrophobicContact CB-CD2 4.43Å; Q268-L272 HydrophobicContact CB-CG 3.94Å; Q268-L272 VanDerWaalsContact O-CG 3.31Å; Q268-L272 WeakPolarHBondContact O-CG 3.49Å; Q268-L272 PolarHBondContact O-N 3.09Å |
| 269 | E | 93.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -42.5 | -170.8 | -179.3 | -171.9 | 151.6 | 0 | 0 | 114.5 | L265 V266 Q271 R302 I303 R306 | L265-E269 WeakPolarHBondContact O-CA 3.46Å; L265-E269 PolarHBondContact O-N 3.34Å; V266-E269 WeakPolarHBondContact O-CB 3.04Å; V266-E269 PolarHBondContact O-N 3.13Å; E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 3.26Å; E269-R302 WeakPolarHBondContact OE1-CB 3.29Å; E269-R302 IonicContact OE1-CZ 3.82Å; E269-R302 IonicContact OE1-NE 3.58Å; E269-R302 PolarHBondContact OE1-NE 2.95Å; E269-R302 IonicContact OE1-NH1 2.66Å; E269-R302 PolarHBondContact OE1-NH1 3.01Å; E269-R302 IonicContact OE1-NH2 3.02Å; E269-R302 IonicContact OE2-CZ 3.81Å; E269-R302 IonicContact OE2-NE 3.03Å; E269-R302 IonicContact OE2-NH1 3.19Å; E269-R302 PolarHBondContact OE2-NH1 3.36Å; E269-R302 IonicContact OE2-NH2 3.51Å; E269-R302 PolarHBondContact OE2-NH2 2.86Å; E269-I303 HydrophobicContact CG-CD1 3.98Å; E269-I303 HydrophobicContact CG-CG1 3.78Å; E269-R306 PolarHBondContact O-NH2 2.96Å |
| 270 | T | 90.7 | Very high | 92.5 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 69% | 0.693 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.3 | -176.6 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | Q268 | Q268-T270 VanDerWaalsContact C-N 3.26Å; Q268-T270 PolarHBondContact O-N 3.17Å |
| 271 | Q | 89.5 | Confident | 92.8 | Very high | 148 Ų | 148 | 37.9 Ų | 37.9 | 69% | 0.692 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -17 | -175.6 | -56 | -173.6 | 29.6 | 0 | 0 | 112.9 | Q268 E269 | Q268-Q271 PolarHBondContact O-N 3.31Å; E269-Q271 VanDerWaalsContact C-N 3.32Å; E269-Q271 PolarHBondContact O-N 3.26Å |
| 272 | L | 91.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -88.8 | 129.1 | -174.2 | -62.9 | 176.2 | 0 | 0 | 0 | 112.2 | P237 F264 L265 Q268 V276 V277 L280 R306 | P237-L272 HydrophobicContact CB-CD2 4.15Å; P237-L272 HydrophobicContact CG-CD2 4.41Å; F264-L272 HydrophobicContact CE1-CD1 4.25Å; F264-L272 HydrophobicContact CE1-CD2 4.21Å; L265-L272 HydrophobicContact CD2-CD1 3.85Å; Q268-L272 HydrophobicContact CB-CD1 3.91Å; Q268-L272 HydrophobicContact CB-CD2 4.43Å; Q268-L272 HydrophobicContact CB-CG 3.94Å; Q268-L272 VanDerWaalsContact O-CG 3.31Å; Q268-L272 WeakPolarHBondContact O-CG 3.49Å; Q268-L272 PolarHBondContact O-N 3.09Å; L272-V276 HydrophobicContact CD2-CG1 3.89Å; L272-V277 HydrophobicContact CB-CG2 3.74Å; L272-V277 HydrophobicContact CD1-CG2 4.38Å; L272-L280 HydrophobicContact CD1-CD1 4.1Å; L272-R306 PolarHBondContact O-NH2 3.02Å; L272-R306 VanDerWaalsContact O-NH2 3.12Å | ||
| 273 | S | 92.5 | Very high | 92.9 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | trans | -83.5 | 154.2 | 168.8 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | K275 V276 V277 | S273-K275 PolarHBondContact O-N 3.01Å; S273-V276 PolarHBondContact O-N 3.38Å; S273-V277 WeakPolarHBondContact O-CG2 3.37Å; S273-V277 PolarHBondContact O-N 2.96Å | ||
| 274 | S | 91.4 | Very high | 93 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.6 | -31.7 | 174.9 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | V276 V277 Q278 E307 A311 A314 | S274-V276 VanDerWaalsContact C-N 3.32Å; S274-V276 PolarHBondContact O-N 3.06Å; S274-V277 PolarHBondContact O-N 3.47Å; S274-Q278 PolarHBondContact O-N 3.02Å; S274-E307 PolarHBondContact N-OE2 3Å; S274-A311 WeakPolarHBondContact OG-CB 3.48Å; S274-A314 WeakPolarHBondContact O-CB 3.21Å |
| 275 | K | 91.6 | Very high | 93 | Very high | 131 Ų | 131 | 35.1 Ų | 35.1 | 57% | 0.57 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -64.3 | -32.3 | 177.3 | -67.8 | -177.6 | -175.2 | 171.7 | 0 | 113.6 | S273 Q278 A311 | S273-K275 PolarHBondContact O-N 3.01Å; K275-Q278 WeakPolarHBondContact O-CG 3.38Å; K275-Q278 PolarHBondContact O-NE2 2.93Å; K275-A311 HydrophobicContact CG-CB 4.12Å |
| 276 | V | 93.8 | Very high | 93 | Very high | 36 Ų | 36 | 37 Ų | 37 | 22% | 0.218 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83 | -46.9 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | V241 L272 S273 S274 Q278 K279 L280 | V241-V276 HydrophobicContact CG2-CG1 3.73Å; L272-V276 HydrophobicContact CD2-CG1 3.89Å; S273-V276 PolarHBondContact O-N 3.38Å; S274-V276 VanDerWaalsContact C-N 3.32Å; S274-V276 PolarHBondContact O-N 3.06Å; V276-Q278 VanDerWaalsContact C-N 3.33Å; V276-Q278 PolarHBondContact O-N 2.95Å; V276-K279 WeakPolarHBondContact O-CB 3.27Å; V276-K279 PolarHBondContact O-N 3.27Å; V276-L280 HydrophobicContact CG1-CD1 3.96Å; V276-L280 HydrophobicContact CG1-CG 4.32Å; V276-L280 PolarHBondContact O-N 3.19Å |
| 277 | V | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57 | -42.5 | -177.7 | 175.5 | 0 | 0 | 0 | 0 | 112 | L265 L272 S273 S274 K279 L280 V281 L300 I303 I318 | L265-V277 HydrophobicContact CD2-CB 4.41Å; L265-V277 HydrophobicContact CD2-CG1 4.05Å; L265-V277 HydrophobicContact CD2-CG2 4.07Å; L272-V277 HydrophobicContact CB-CG2 3.74Å; L272-V277 HydrophobicContact CD1-CG2 4.38Å; S273-V277 WeakPolarHBondContact O-CG2 3.37Å; S273-V277 PolarHBondContact O-N 2.96Å; S274-V277 PolarHBondContact O-N 3.47Å; V277-K279 PolarHBondContact O-N 3.34Å; V277-K279 VanDerWaalsContact O-N 3.09Å; V277-L280 PolarHBondContact O-N 3.35Å; V277-L280 VanDerWaalsContact O-N 3.1Å; V277-V281 HydrophobicContact CG1-CG2 3.81Å; V277-V281 WeakPolarHBondContact O-CB 3.29Å; V277-V281 WeakPolarHBondContact O-CG2 3.45Å; V277-V281 PolarHBondContact O-N 2.86Å; V277-L300 HydrophobicContact CG1-CD2 3.67Å; V277-I303 HydrophobicContact CG1-CG2 4.46Å; V277-I303 HydrophobicContact CG2-CD1 4.07Å; V277-I303 HydrophobicContact CG2-CG2 4.15Å; V277-I318 HydrophobicContact CB-CD1 4.17Å; V277-I318 HydrophobicContact CG1-CD1 3.79Å; V277-I318 HydrophobicContact CG1-CG1 4.31Å |
| 278 | Q | 94.2 | Very high | 92.9 | Very high | 21 Ų | 21 | 34 Ų | 34 | 10% | 0.098 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.9 | -29.6 | 176.5 | 70 | 175.4 | -50.4 | 0 | 0 | 113.6 | S274 K275 V276 L282 A314 N317 I318 | S274-Q278 PolarHBondContact O-N 3.02Å; K275-Q278 WeakPolarHBondContact O-CG 3.38Å; K275-Q278 PolarHBondContact O-NE2 2.93Å; V276-Q278 VanDerWaalsContact C-N 3.33Å; V276-Q278 PolarHBondContact O-N 2.95Å; Q278-L282 PolarHBondContact O-N 3.28Å; Q278-A314 HydrophobicContact CB-CB 4.25Å; Q278-A314 HydrophobicContact CG-CB 4.16Å; Q278-A314 VanDerWaalsContact NE2-CB 3.28Å; Q278-N317 HydrophobicContact CB-CB 4.16Å; Q278-N317 PolarHBondContact OE1-ND2 3.43Å; Q278-I318 HydrophobicContact CB-CD1 4.38Å; Q278-I318 HydrophobicContact CB-CG1 3.84Å |
| 279 | K | 94.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 32.7 Ų | 32.7 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -81.8 | -36.5 | 179.9 | -55.5 | 177.6 | -170 | 176.6 | 0 | 111.1 | N33 V241 A244 V276 V277 L282 | N33-K279 HydrophobicContact CB-CG 4.42Å; N33-K279 VanDerWaalsContact ND2-CE 3.35Å; N33-K279 WeakPolarHBondContact ND2-CE 3.5Å; V241-K279 HydrophobicContact CG1-CB 3.94Å; V241-K279 HydrophobicContact CG1-CD 3.42Å; V241-K279 VanDerWaalsContact CG1-CD 3.42Å; V241-K279 HydrophobicContact CG1-CG 4.34Å; V241-K279 HydrophobicContact CG2-CB 4.18Å; V241-K279 HydrophobicContact CG2-CD 4.27Å; A244-K279 WeakPolarHBondContact CB-O 3.31Å; V276-K279 WeakPolarHBondContact O-CB 3.27Å; V276-K279 PolarHBondContact O-N 3.27Å; V277-K279 PolarHBondContact O-N 3.34Å; V277-K279 VanDerWaalsContact O-N 3.09Å; K279-L282 WeakPolarHBondContact O-CB 3.37Å |
| 280 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.8 | -35.6 | 175.3 | -64.7 | 178.6 | 0 | 0 | 0 | 111.9 | M240 V241 A244 I261 F264 L265 L272 V276 V277 P283 F284 | M240-L280 HydrophobicContact CB-CD2 3.89Å; M240-L280 HydrophobicContact CG-CD2 3.58Å; V241-L280 HydrophobicContact CB-CD2 4.49Å; V241-L280 HydrophobicContact CG2-CD2 3.85Å; V241-L280 HydrophobicContact CG2-CG 4.09Å; A244-L280 HydrophobicContact CB-CD2 4.21Å; I261-L280 HydrophobicContact CG2-CB 4.14Å; I261-L280 HydrophobicContact CG2-CD2 4.32Å; F264-L280 HydrophobicContact CD1-CD1 4.13Å; F264-L280 HydrophobicContact CE1-CD1 4.09Å; L265-L280 HydrophobicContact CD1-CB 4.05Å; L265-L280 HydrophobicContact CD2-CB 3.93Å; L265-L280 HydrophobicContact CD2-CD1 3.63Å; L265-L280 HydrophobicContact CD2-CG 4.43Å; L265-L280 HydrophobicContact CG-CB 4.12Å; L265-L280 HydrophobicContact CG-CD1 4.06Å; L272-L280 HydrophobicContact CD1-CD1 4.1Å; V276-L280 HydrophobicContact CG1-CD1 3.96Å; V276-L280 HydrophobicContact CG1-CG 4.32Å; V276-L280 PolarHBondContact O-N 3.19Å; V277-L280 PolarHBondContact O-N 3.35Å; V277-L280 VanDerWaalsContact O-N 3.1Å; L280-P283 VanDerWaalsContact O-CD 3.26Å; L280-P283 WeakPolarHBondContact O-CD 3.43Å; L280-P283 WeakPolarHBondContact O-CG 3.5Å; L280-F284 WeakPolarHBondContact O-CE2 3.37Å |
| 281 | V | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -78.9 | -26.8 | -179.6 | 175.8 | 0 | 0 | 0 | 0 | 112.8 | L265 V277 F284 L300 | L265-V281 HydrophobicContact CD1-CG2 4.02Å; V277-V281 HydrophobicContact CG1-CG2 3.81Å; V277-V281 WeakPolarHBondContact O-CB 3.29Å; V277-V281 WeakPolarHBondContact O-CG2 3.45Å; V277-V281 PolarHBondContact O-N 2.86Å; V281-F284 WeakPolarHBondContact O-CB 3.44Å; V281-F284 WeakPolarHBondContact O-CD2 3.46Å; V281-F284 PolarHBondContact O-N 2.93Å; V281-F284 VanDerWaalsContact O-N 3.07Å; V281-L300 HydrophobicContact CG2-CD1 4.13Å; V281-L300 HydrophobicContact CG2-CD2 3.65Å |
| 282 | L | 93.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -45.7 | -50.1 | -179.3 | 178.7 | 67.6 | 0 | 0 | 0 | 115.2 | M35 V38 A248 Q278 K279 F284 R286 | M35-L282 HydrophobicContact CG-CD1 4.32Å; V38-L282 HydrophobicContact CG2-CD2 4.47Å; A248-L282 HydrophobicContact CB-CD2 4.12Å; A248-L282 HydrophobicContact CB-CG 4.2Å; Q278-L282 PolarHBondContact O-N 3.28Å; K279-L282 WeakPolarHBondContact O-CB 3.37Å; L282-F284 VanDerWaalsContact C-N 3.31Å; L282-F284 PolarHBondContact O-N 3.39Å; L282-R286 WeakPolarHBondContact O-CB 3.46Å; L282-R286 PolarHBondContact O-N 3.19Å |
| 283 | P | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -36.7 | 179.8 | 23.6 | -36.6 | 0 | 0 | 0 | 113.2 | A244 L247 A248 L258 I261 L280 R286 L287 | A244-P283 HydrophobicContact CB-CG 3.84Å; L247-P283 HydrophobicContact CB-CB 4.42Å; A248-P283 HydrophobicContact CB-CB 4.29Å; L258-P283 HydrophobicContact CD2-CB 3.85Å; L258-P283 HydrophobicContact CD2-CG 4.31Å; I261-P283 HydrophobicContact CD1-CG 4.43Å; L280-P283 VanDerWaalsContact O-CD 3.26Å; L280-P283 WeakPolarHBondContact O-CD 3.43Å; L280-P283 WeakPolarHBondContact O-CG 3.5Å; P283-R286 PolarHBondContact O-N 3.37Å; P283-L287 HydrophobicContact CB-CD1 3.94Å; P283-L287 WeakPolarHBondContact O-CB 3.24Å; P283-L287 WeakPolarHBondContact O-CG 3.34Å; P283-L287 PolarHBondContact O-N 3.17Å |
| 284 | F | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -52.9 | -179.6 | -58.3 | -63 | 0 | 0 | 0 | 111.4 | L258 I261 A262 L265 L280 V281 L282 N288 Y289 P291 F296 L325 | L258-F284 HydrophobicContact CB-CD1 4.45Å; L258-F284 HydrophobicContact CB-CE1 3.9Å; L258-F284 HydrophobicContact CD2-CD1 4.17Å; L258-F284 HydrophobicContact CD2-CE1 4.07Å; L258-F284 WeakPolarHBondContact O-CE1 3.5Å; L258-F284 VanDerWaalsContact O-CZ 3.26Å; L258-F284 WeakPolarHBondContact O-CZ 3.22Å; I261-F284 HydrophobicContact CB-CZ 3.93Å; I261-F284 HydrophobicContact CG2-CE2 3.83Å; I261-F284 HydrophobicContact CG2-CZ 3.77Å; A262-F284 HydrophobicContact CB-CE1 4.3Å; A262-F284 HydrophobicContact CB-CZ 3.87Å; L265-F284 HydrophobicContact CD1-CE2 4.07Å; L280-F284 WeakPolarHBondContact O-CE2 3.37Å; V281-F284 WeakPolarHBondContact O-CB 3.44Å; V281-F284 WeakPolarHBondContact O-CD2 3.46Å; V281-F284 PolarHBondContact O-N 2.93Å; V281-F284 VanDerWaalsContact O-N 3.07Å; L282-F284 VanDerWaalsContact C-N 3.31Å; L282-F284 PolarHBondContact O-N 3.39Å; F284-N288 PolarHBondContact O-N 3.21Å; F284-N288 VanDerWaalsContact O-N 3.09Å; F284-Y289 WeakPolarHBondContact CB-O 3.27Å; F284-Y289 AromaticContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CE1-CD1 4.25Å; F284-Y289 PolarHBondContact O-N 2.85Å; F284-P291 HydrophobicContact CD1-CG 3.55Å; F284-P291 HydrophobicContact CE1-CG 3.47Å; F284-P291 VanDerWaalsContact CE1-CG 3.47Å; F284-P291 HydrophobicContact CG-CG 4.13Å; F284-P291 HydrophobicContact CZ-CG 4.03Å; F284-F296 AromaticContact CD2-CE2 3.91Å; F284-F296 HydrophobicContact CD2-CE2 3.91Å; F284-F296 AromaticContact CD2-CZ 3.62Å; F284-F296 HydrophobicContact CD2-CZ 3.62Å; F284-F296 AromaticContact CE2-CE2 3.62Å; F284-F296 HydrophobicContact CE2-CE2 3.62Å; F284-F296 AromaticContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CG-CZ 4.19Å; F284-F296 HydrophobicContact CZ-CE2 4.14Å; F284-L325 HydrophobicContact CB-CD1 3.91Å; F284-L325 WeakPolarHBondContact O-CD2 3.48Å |
| 285 | G | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -53.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L287 N288 S321 Q324 G496 | G285-L287 PolarHBondContact O-N 3.38Å; G285-N288 PolarHBondContact O-N 3.47Å; G285-N288 VanDerWaalsContact O-N 3.17Å; G285-S321 WeakPolarHBondContact CA-O 3.25Å; G285-Q324 PolarHBondContact O-OE1 3.45Å; G285-G496 VanDerWaalsContact O-CA 3.29Å; G285-G496 WeakPolarHBondContact O-CA 2.94Å |
| 286 | R | 92.2 | Very high | 93.1 | Very high | 40 Ų | 40 | 36.6 Ų | 36.6 | 15% | 0.151 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | -174.1 | -178.3 | 173.1 | 176.9 | 84.3 | -11.3 | 113.5 | A248 L282 P283 N288 L495 G496 | A248-R286 VanDerWaalsContact O-CD 3.32Å; A248-R286 WeakPolarHBondContact O-CD 3.31Å; A248-R286 PolarHBondContact O-NE 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.46Å; L282-R286 PolarHBondContact O-N 3.19Å; P283-R286 PolarHBondContact O-N 3.37Å; R286-N288 VanDerWaalsContact C-N 3.27Å; R286-L495 WeakPolarHBondContact O-CA 3.36Å; R286-L495 WeakPolarHBondContact O-CB 3.36Å; R286-L495 WeakPolarHBondContact O-CD2 3.32Å; R286-G496 PolarHBondContact O-N 2.94Å |
| 287 | L | 92.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.8 | -176.7 | -53.6 | 173.1 | 0 | 0 | 0 | 112.4 | L247 R251 L252 R253 L258 P283 G285 Y289 L495 | L247-L287 HydrophobicContact CB-CD1 4.23Å; R251-L287 VanDerWaalsContact CA-CD2 3.48Å; R251-L287 HydrophobicContact CB-CD2 4.28Å; L252-L287 WeakPolarHBondContact O-CD1 3.3Å; R253-L287 HydrophobicContact CG-CB 4.39Å; L258-L287 HydrophobicContact CD1-CD1 4.18Å; L258-L287 HydrophobicContact CD2-CD1 4.06Å; P283-L287 HydrophobicContact CB-CD1 3.94Å; P283-L287 WeakPolarHBondContact O-CB 3.24Å; P283-L287 WeakPolarHBondContact O-CG 3.34Å; P283-L287 PolarHBondContact O-N 3.17Å; G285-L287 PolarHBondContact O-N 3.38Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3.09Å; L287-L495 HydrophobicContact CD2-CD2 4.47Å |
| 288 | N | 91.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 51.6 | -178.7 | -163.9 | 32.3 | 0 | 0 | 0 | 111 | F284 G285 R286 V493 L494 | F284-N288 PolarHBondContact O-N 3.21Å; F284-N288 VanDerWaalsContact O-N 3.09Å; G285-N288 PolarHBondContact O-N 3.47Å; G285-N288 VanDerWaalsContact O-N 3.17Å; R286-N288 VanDerWaalsContact C-N 3.27Å; N288-V493 HydrophobicContact CB-CG1 4.09Å; N288-L494 VanDerWaalsContact CB-O 3.27Å; N288-L494 WeakPolarHBondContact CB-O 3.39Å |
| 289 | Y | 94.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | trans | -119.7 | 115.8 | -178.5 | -174.6 | -81.2 | 0 | 0 | 0 | 109 | R253 P255 L258 E259 F284 L287 P291 L325 | R253-Y289 HydrophobicContact CG-CD2 4.19Å; R253-Y289 VanDerWaalsContact CZ-CD2 3.42Å; R253-Y289 VanDerWaalsContact NH2-CD2 3.34Å; P255-Y289 HydrophobicContact CB-CE2 3.85Å; P255-Y289 HydrophobicContact CG-CE2 4.15Å; L258-Y289 HydrophobicContact CB-CD1 3.81Å; L258-Y289 HydrophobicContact CB-CE1 3.69Å; L258-Y289 HydrophobicContact CB-CG 4.27Å; L258-Y289 HydrophobicContact CD1-CD1 3.94Å; L258-Y289 HydrophobicContact CD1-CD2 3.57Å; L258-Y289 HydrophobicContact CD1-CE1 4.41Å; L258-Y289 HydrophobicContact CD1-CE2 4.14Å; L258-Y289 HydrophobicContact CD1-CG 3.51Å; L258-Y289 HydrophobicContact CG-CD1 4.42Å; L258-Y289 HydrophobicContact CG-CG 4.44Å; E259-Y289 WeakPolarHBondContact CG-OH 3.38Å; E259-Y289 WeakPolarHBondContact OE1-CE1 3.39Å; E259-Y289 VanDerWaalsContact OE1-CZ 3.25Å; E259-Y289 PolarHBondContact OE1-OH 3Å; F284-Y289 WeakPolarHBondContact CB-O 3.27Å; F284-Y289 AromaticContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CD1-CD1 3.89Å; F284-Y289 HydrophobicContact CE1-CD1 4.25Å; F284-Y289 PolarHBondContact O-N 2.85Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3.09Å; Y289-P291 HydrophobicContact CD1-CG 4.47Å; Y289-L325 WeakPolarHBondContact O-CD2 3.48Å | ||
| 290 | L | 92.8 | Very high | 93.3 | Very high | 95 Ų | 95 | 36.2 Ų | 36.2 | 50% | 0.497 | 18% | 0.181 | S | C | . | . | trans | -93 | 120.2 | 171.9 | -177.4 | 65 | 0 | 0 | 0 | 108.4 | M297 | L290-M297 HydrophobicContact CD1-CE 3.63Š| ||
| 291 | P | 92.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | trans | -60.2 | 148.8 | 177.5 | -26.7 | 37.6 | 0 | 0 | 0 | 114.1 | E259 A262 F284 Y289 E293 F296 | E259-P291 WeakPolarHBondContact OE1-CA 3.46Å; A262-P291 HydrophobicContact CB-CB 3.64Å; A262-P291 HydrophobicContact CB-CG 3.86Å; F284-P291 HydrophobicContact CD1-CG 3.55Å; F284-P291 HydrophobicContact CE1-CG 3.47Å; F284-P291 VanDerWaalsContact CE1-CG 3.47Å; F284-P291 HydrophobicContact CG-CG 4.13Å; F284-P291 HydrophobicContact CZ-CG 4.03Å; Y289-P291 HydrophobicContact CD1-CG 4.47Å; P291-E293 HydrophobicContact CB-CB 4.46Å; P291-F296 HydrophobicContact CB-CB 4.42Å; P291-F296 HydrophobicContact CB-CD1 4.4Å; P291-F296 HydrophobicContact CB-CD2 4.41Å; P291-F296 HydrophobicContact CB-CG 4.17Å; P291-F296 HydrophobicContact CG-CD1 3.95Å; P291-F296 HydrophobicContact CG-CD2 4.04Å; P291-F296 HydrophobicContact CG-CE1 3.94Å; P291-F296 HydrophobicContact CG-CE2 4.01Å; P291-F296 HydrophobicContact CG-CG 4Å; P291-F296 HydrophobicContact CG-CZ 3.95Å | ||
| 292 | L | 89.5 | Confident | 93.2 | Very high | 129 Ų | 129 | 46.3 Ų | 46.3 | 68% | 0.675 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -80.5 | -22.4 | 172.1 | -61.4 | 177.5 | 0 | 0 | 0 | 112.2 | E259 Q294 | E259-L292 PolarHBondContact OE1-N 3.16Å; E259-L292 PolarHBondContact OE2-N 2.79Å; E259-L292 VanDerWaalsContact OE2-N 3.09Å; L292-Q294 PolarHBondContact O-N 3.49Å; L292-Q294 VanDerWaalsContact O-N 3.08Å; L292-Q294 PolarHBondContact O-NE2 3.18Å |
| 293 | E | 87.7 | Confident | 93.2 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 23% | 0.229 | 22% | 0.221 | C | C | . | . | trans | -54.1 | 108.3 | 173.7 | 177.1 | 54.9 | -92.5 | 0 | 0 | 111.7 | E259 A262 H263 V266 P291 Q295 F296 | E259-E293 PolarHBondContact OE2-N 3.44Å; A262-E293 HydrophobicContact CB-CB 4.1Å; H263-E293 IonicContact ND1-OE2 3.85Å; H263-E293 PolarHBondContact ND1-OE2 3.33Å; V266-E293 HydrophobicContact CG2-CG 3.76Å; P291-E293 HydrophobicContact CB-CB 4.46Å; E293-Q295 VanDerWaalsContact C-N 3.26Å; E293-Q295 PolarHBondContact O-N 3.19Å; E293-Q295 PolarHBondContact OE1-N 3.18Å; E293-F296 HydrophobicContact CB-CB 4.26Å; E293-F296 HydrophobicContact CG-CB 4.21Å; E293-F296 WeakPolarHBondContact O-CB 3.39Å; E293-F296 PolarHBondContact O-N 3.25Å; E293-F296 VanDerWaalsContact O-N 3.1Å | ||
| 294 | Q | 91 | Very high | 93.3 | Very high | 158 Ų | 158 | 46 Ų | 46 | 74% | 0.738 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.6 | -173.3 | -62.6 | -60 | -54.2 | 0 | 0 | 112.3 | L292 F296 P298 | L292-Q294 PolarHBondContact O-N 3.49Å; L292-Q294 VanDerWaalsContact O-N 3.08Å; L292-Q294 PolarHBondContact O-NE2 3.18Å; Q294-F296 VanDerWaalsContact C-N 3.25Å; Q294-F296 PolarHBondContact O-N 3.29Å; Q294-P298 WeakPolarHBondContact O-CD 3.3Å |
| 295 | Q | 94.7 | Very high | 93.1 | Very high | 95 Ų | 95 | 50.2 Ų | 50.2 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.7 | 178.6 | -64.4 | -58 | -35.1 | 0 | 0 | 113.2 | V266 E293 M297 P298 C299 | V266-Q295 HydrophobicContact CB-CB 4.44Å; V266-Q295 HydrophobicContact CG1-CB 3.67Å; V266-Q295 HydrophobicContact CG1-CG 4.43Å; V266-Q295 HydrophobicContact CG2-CB 3.83Å; E293-Q295 VanDerWaalsContact C-N 3.26Å; E293-Q295 PolarHBondContact O-N 3.19Å; E293-Q295 PolarHBondContact OE1-N 3.18Å; Q295-M297 PolarHBondContact O-N 2.85Å; Q295-P298 WeakPolarHBondContact O-CD 3.47Å; Q295-C299 WeakPolarHBondContact O-CB 3.3Å; Q295-C299 PolarHBondContact O-N 2.64Å |
| 296 | F | 93.4 | Very high | 93 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -51.6 | -176.4 | 178.5 | -102.1 | 0 | 0 | 0 | 112.7 | A262 L265 F284 P291 E293 Q294 L300 | A262-F296 HydrophobicContact CB-CD2 3.75Å; A262-F296 HydrophobicContact CB-CE2 4.19Å; L265-F296 HydrophobicContact CD1-CD2 4.42Å; L265-F296 HydrophobicContact CD1-CE2 3.75Å; F284-F296 AromaticContact CD2-CE2 3.91Å; F284-F296 HydrophobicContact CD2-CE2 3.91Å; F284-F296 AromaticContact CD2-CZ 3.62Å; F284-F296 HydrophobicContact CD2-CZ 3.62Å; F284-F296 AromaticContact CE2-CE2 3.62Å; F284-F296 HydrophobicContact CE2-CE2 3.62Å; F284-F296 AromaticContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CE2-CZ 3.86Å; F284-F296 HydrophobicContact CG-CZ 4.19Å; F284-F296 HydrophobicContact CZ-CE2 4.14Å; P291-F296 HydrophobicContact CB-CB 4.42Å; P291-F296 HydrophobicContact CB-CD1 4.4Å; P291-F296 HydrophobicContact CB-CD2 4.41Å; P291-F296 HydrophobicContact CB-CG 4.17Å; P291-F296 HydrophobicContact CG-CD1 3.95Å; P291-F296 HydrophobicContact CG-CD2 4.04Å; P291-F296 HydrophobicContact CG-CE1 3.94Å; P291-F296 HydrophobicContact CG-CE2 4.01Å; P291-F296 HydrophobicContact CG-CG 4Å; P291-F296 HydrophobicContact CG-CZ 3.95Å; E293-F296 HydrophobicContact CB-CB 4.26Å; E293-F296 HydrophobicContact CG-CB 4.21Å; E293-F296 WeakPolarHBondContact O-CB 3.39Å; E293-F296 PolarHBondContact O-N 3.25Å; E293-F296 VanDerWaalsContact O-N 3.1Å; Q294-F296 VanDerWaalsContact C-N 3.25Å; Q294-F296 PolarHBondContact O-N 3.29Å; F296-L300 HydrophobicContact CD1-CD1 4.16Å; F296-L300 HydrophobicContact CE1-CD1 3.57Å; F296-L300 HydrophobicContact CE2-CD1 4.13Å; F296-L300 HydrophobicContact CZ-CD1 3.56Å; F296-L300 HydrophobicContact CZ-CG 4.47Å; F296-L300 WeakPolarHBondContact O-CG 3.4Å; F296-L300 PolarHBondContact O-N 3.43Å; F296-L300 VanDerWaalsContact O-N 3.08Å |
| 297 | M | 94.2 | Very high | 92.9 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -49.1 | -179.8 | -69.2 | -63.1 | 177.3 | 0 | 0 | 112.7 | L290 Q295 C299 L300 E301 L322 C327 | L290-M297 HydrophobicContact CD1-CE 3.63Å; Q295-M297 PolarHBondContact O-N 2.85Å; M297-C299 VanDerWaalsContact C-N 3.26Å; M297-C299 PolarHBondContact O-N 2.91Å; M297-L300 PolarHBondContact O-N 3.29Å; M297-L300 VanDerWaalsContact O-N 3.11Å; M297-E301 PolarHBondContact O-N 3.18Å; M297-L322 HydrophobicContact CE-CD2 3.8Å; M297-L322 HydrophobicContact SD-CD2 3.8Å; M297-C327 HydrophobicContact CE-CB 3.22Å; M297-C327 VanDerWaalsContact CE-SG 3.54Å; M297-C327 HydrophobicContact SD-CB 3.98Å |
| 298 | P | 95.5 | Very high | 92.5 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.6 | -37.3 | 174 | -27.5 | 35 | 0 | 0 | 0 | 114.1 | Q294 Q295 R302 | Q294-P298 WeakPolarHBondContact O-CD 3.3Å; Q295-P298 WeakPolarHBondContact O-CD 3.47Å; P298-R302 WeakPolarHBondContact O-CG 3.46Å; P298-R302 PolarHBondContact O-N 3.06Å; P298-R302 VanDerWaalsContact O-N 3.15Å; P298-R302 PolarHBondContact O-NE 3.13Å |
| 299 | C | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 173.5 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | L265 V266 Q295 M297 E301 R302 I303 | L265-C299 PolarHBondContact O-SG 2.84Å; L265-C299 VanDerWaalsContact O-SG 3.32Å; V266-C299 HydrophobicContact CG2-CB 4.1Å; Q295-C299 WeakPolarHBondContact O-CB 3.3Å; Q295-C299 PolarHBondContact O-N 2.64Å; M297-C299 VanDerWaalsContact C-N 3.26Å; M297-C299 PolarHBondContact O-N 2.91Å; C299-E301 VanDerWaalsContact C-N 3.34Å; C299-E301 PolarHBondContact O-N 3.03Å; C299-R302 PolarHBondContact O-N 3.37Å; C299-I303 WeakPolarHBondContact O-CG1 3.04Å; C299-I303 PolarHBondContact O-N 3.41Å; C299-I303 VanDerWaalsContact SG-CD1 3.55Å |
| 300 | L | 95.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 179 | -70.3 | -178.4 | 0 | 0 | 0 | 112.9 | V277 V281 F296 M297 I303 L304 L322 | V277-L300 HydrophobicContact CG1-CD2 3.67Å; V281-L300 HydrophobicContact CG2-CD1 4.13Å; V281-L300 HydrophobicContact CG2-CD2 3.65Å; F296-L300 HydrophobicContact CD1-CD1 4.16Å; F296-L300 HydrophobicContact CE1-CD1 3.57Å; F296-L300 HydrophobicContact CE2-CD1 4.13Å; F296-L300 HydrophobicContact CZ-CD1 3.56Å; F296-L300 HydrophobicContact CZ-CG 4.47Å; F296-L300 WeakPolarHBondContact O-CG 3.4Å; F296-L300 PolarHBondContact O-N 3.43Å; F296-L300 VanDerWaalsContact O-N 3.08Å; M297-L300 PolarHBondContact O-N 3.29Å; M297-L300 VanDerWaalsContact O-N 3.11Å; L300-I303 PolarHBondContact O-N 3.5Å; L300-L304 WeakPolarHBondContact O-CB 3Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 2.92Å; L300-L304 PolarHBondContact O-N 3.14Å; L300-L322 HydrophobicContact CD1-CD1 4.45Å; L300-L322 HydrophobicContact CD1-CD2 3.9Å |
| 301 | E | 94.5 | Very high | 91.5 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 175.6 | -72.5 | -167.2 | 170.1 | 0 | 0 | 112.3 | M297 C299 L304 A305 P329 | M297-E301 PolarHBondContact O-N 3.18Å; C299-E301 VanDerWaalsContact C-N 3.34Å; C299-E301 PolarHBondContact O-N 3.03Å; E301-L304 PolarHBondContact O-N 2.58Å; E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.88Å; E301-P329 HydrophobicContact CG-CB 3.69Å; E301-P329 HydrophobicContact CG-CG 4.4Å; E301-P329 VanDerWaalsContact OE1-CB 3.24Å; E301-P329 WeakPolarHBondContact OE1-CB 3.47Å |
| 302 | R | 94.8 | Very high | 91.2 | Very high | 120 Ų | 120 | 55.4 Ų | 55.4 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.7 | -74.8 | -177.2 | -74.2 | 140.1 | -5.3 | 112.1 | E269 P298 C299 A305 R306 | E269-R302 WeakPolarHBondContact OE1-CB 3.29Å; E269-R302 IonicContact OE1-CZ 3.82Å; E269-R302 IonicContact OE1-NE 3.58Å; E269-R302 PolarHBondContact OE1-NE 2.95Å; E269-R302 IonicContact OE1-NH1 2.66Å; E269-R302 PolarHBondContact OE1-NH1 3.01Å; E269-R302 IonicContact OE1-NH2 3.02Å; E269-R302 IonicContact OE2-CZ 3.81Å; E269-R302 IonicContact OE2-NE 3.03Å; E269-R302 IonicContact OE2-NH1 3.19Å; E269-R302 PolarHBondContact OE2-NH1 3.36Å; E269-R302 IonicContact OE2-NH2 3.51Å; E269-R302 PolarHBondContact OE2-NH2 2.86Å; P298-R302 WeakPolarHBondContact O-CG 3.46Å; P298-R302 PolarHBondContact O-N 3.06Å; P298-R302 VanDerWaalsContact O-N 3.15Å; P298-R302 PolarHBondContact O-NE 3.13Å; C299-R302 PolarHBondContact O-N 3.37Å; R302-A305 PolarHBondContact O-N 3.22Å; R302-R306 PolarHBondContact O-N 3.44Å |
| 303 | I | 94.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 174 | -68.2 | 166.3 | 0 | 0 | 0 | 110.5 | E269 V277 C299 L300 A305 R306 E307 | E269-I303 HydrophobicContact CG-CD1 3.98Å; E269-I303 HydrophobicContact CG-CG1 3.78Å; V277-I303 HydrophobicContact CG1-CG2 4.46Å; V277-I303 HydrophobicContact CG2-CD1 4.07Å; V277-I303 HydrophobicContact CG2-CG2 4.15Å; C299-I303 WeakPolarHBondContact O-CG1 3.04Å; C299-I303 PolarHBondContact O-N 3.41Å; C299-I303 VanDerWaalsContact SG-CD1 3.55Å; L300-I303 PolarHBondContact O-N 3.5Å; I303-A305 PolarHBondContact O-N 3.22Å; I303-R306 PolarHBondContact O-N 3.47Å; I303-E307 HydrophobicContact CG2-CG 4.3Å; I303-E307 VanDerWaalsContact O-CB 3.28Å; I303-E307 WeakPolarHBondContact O-CB 3.25Å; I303-E307 WeakPolarHBondContact O-CG 3.33Å; I303-E307 PolarHBondContact O-N 3.25Å |
| 304 | L | 93.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.3 | -74 | 168.1 | 0 | 0 | 0 | 111 | L300 E301 R306 E307 A308 T315 I318 L319 L322 P329 A332 | L300-L304 WeakPolarHBondContact O-CB 3Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 2.92Å; L300-L304 PolarHBondContact O-N 3.14Å; E301-L304 PolarHBondContact O-N 2.58Å; L304-R306 VanDerWaalsContact C-N 3.27Å; L304-R306 PolarHBondContact O-N 2.95Å; L304-E307 PolarHBondContact O-N 3.09Å; L304-A308 WeakPolarHBondContact O-CA 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 2.63Å; L304-T315 HydrophobicContact CD2-CG2 3.76Å; L304-I318 HydrophobicContact CD1-CG2 4.16Å; L304-I318 HydrophobicContact CD2-CB 4.26Å; L304-I318 HydrophobicContact CD2-CD1 4.09Å; L304-I318 HydrophobicContact CD2-CG2 4.15Å; L304-I318 HydrophobicContact CG-CG2 4.42Å; L304-L319 HydrophobicContact CD1-CD2 4.21Å; L304-L322 HydrophobicContact CD1-CD1 4.47Å; L304-P329 HydrophobicContact CD1-CG 4.16Å; L304-A332 HydrophobicContact CB-CB 4.47Å; L304-A332 HydrophobicContact CD1-CB 4.06Å |
| 305 | A | 92.2 | Very high | 91.5 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 72% | 0.719 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59.9 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E301 R302 I303 | E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.88Å; R302-A305 PolarHBondContact O-N 3.22Å; I303-A305 PolarHBondContact O-N 3.22Å |
| 306 | R | 90.9 | Very high | 91.4 | Very high | 103 Ų | 103 | 35.9 Ų | 35.9 | 39% | 0.389 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -75.7 | -44.1 | 178.2 | -176.4 | 177.2 | 70.9 | -133 | 5.5 | 113.1 | E269 L272 R302 I303 L304 | E269-R306 PolarHBondContact O-NH2 2.96Å; L272-R306 PolarHBondContact O-NH2 3.02Å; L272-R306 VanDerWaalsContact O-NH2 3.12Å; R302-R306 PolarHBondContact O-N 3.44Å; I303-R306 PolarHBondContact O-N 3.47Å; L304-R306 VanDerWaalsContact C-N 3.27Å; L304-R306 PolarHBondContact O-N 2.95Å |
| 307 | E | 89.8 | Confident | 91.3 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -107.3 | -9.9 | -162.8 | -65.7 | -78 | 133.8 | 0 | 0 | 114.4 | S274 I303 L304 G309 V310 A311 | S274-E307 PolarHBondContact N-OE2 3Å; I303-E307 HydrophobicContact CG2-CG 4.3Å; I303-E307 VanDerWaalsContact O-CB 3.28Å; I303-E307 WeakPolarHBondContact O-CB 3.25Å; I303-E307 WeakPolarHBondContact O-CG 3.33Å; I303-E307 PolarHBondContact O-N 3.25Å; L304-E307 PolarHBondContact O-N 3.09Å; E307-G309 VanDerWaalsContact C-N 3.25Å; E307-G309 PolarHBondContact O-N 2.98Å; E307-G309 VanDerWaalsContact O-N 3.13Å; E307-V310 PolarHBondContact O-N 3.07Å; E307-A311 PolarHBondContact O-N 3.29Å |
| 308 | A | 84.8 | Confident | 91.3 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L304 T315 F335 | L304-A308 WeakPolarHBondContact O-CA 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 2.63Å; A308-T315 VanDerWaalsContact CA-OG1 3.29Å; A308-T315 WeakPolarHBondContact CA-OG1 3.26Å; A308-T315 HydrophobicContact CB-CG2 3.57Å; A308-T315 PolarHBondContact O-OG1 3.28Å; A308-F335 HydrophobicContact CB-CD1 3.57Å; A308-F335 HydrophobicContact CB-CE1 3.43Å; A308-F335 VanDerWaalsContact CB-CE1 3.43Å; A308-F335 HydrophobicContact CB-CG 4.41Å; A308-F335 HydrophobicContact CB-CZ 4.18Å |
| 309 | G | 82.2 | Confident | 91.3 | Very high | 44 Ų | 44 | 31.1 Ų | 31.1 | 45% | 0.454 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -24.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E307 | E307-G309 VanDerWaalsContact C-N 3.25Å; E307-G309 PolarHBondContact O-N 2.98Å; E307-G309 VanDerWaalsContact O-N 3.13Å |
| 310 | V | 87.3 | Confident | 91.2 | Very high | 106 Ų | 106 | 31.1 Ų | 31.1 | 64% | 0.642 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -36.7 | -175.7 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | E307 | E307-V310 PolarHBondContact O-N 3.07Š|
| 311 | A | 87.2 | Confident | 91.1 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | trans | -138.5 | 76 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S274 K275 E307 L313 A314 T315 | S274-A311 WeakPolarHBondContact OG-CB 3.48Å; K275-A311 HydrophobicContact CG-CB 4.12Å; E307-A311 PolarHBondContact O-N 3.29Å; A311-L313 VanDerWaalsContact C-N 3.33Å; A311-L313 PolarHBondContact O-N 2.77Å; A311-L313 VanDerWaalsContact O-N 3.17Å; A311-A314 HydrophobicContact CB-CB 4Å; A311-A314 WeakPolarHBondContact O-CA 3.18Å; A311-A314 WeakPolarHBondContact O-CB 3.29Å; A311-A314 PolarHBondContact O-N 2.75Å; A311-T315 PolarHBondContact O-N 2.81Å; A311-T315 PolarHBondContact O-OG1 3.5Å | ||
| 312 | P | 87.3 | Confident | 91.1 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 10% | 0.104 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.2 | -42.4 | -172.2 | -22.3 | 25.4 | 0 | 0 | 0 | 114.7 | A314 T315 V316 F341 Y344 I345 | P312-A314 VanDerWaalsContact C-N 3.3Å; P312-A314 PolarHBondContact O-N 2.77Å; P312-T315 WeakPolarHBondContact O-CB 3.39Å; P312-T315 PolarHBondContact O-N 2.91Å; P312-V316 WeakPolarHBondContact O-CG2 3.11Å; P312-V316 PolarHBondContact O-N 3.33Å; P312-F341 HydrophobicContact CB-CE2 3.68Å; P312-F341 HydrophobicContact CB-CZ 3.81Å; P312-F341 HydrophobicContact CG-CE2 4.32Å; P312-Y344 HydrophobicContact CG-CD1 3.8Å; P312-Y344 HydrophobicContact CG-CE1 3.36Å; P312-I345 HydrophobicContact CB-CD1 3.88Å; P312-I345 HydrophobicContact CB-CG1 3.87Å; P312-I345 HydrophobicContact CG-CG1 4.48Å |
| 313 | L | 88.6 | Confident | 91.1 | Very high | 18 Ų | 18 | 21 Ų | 21 | 9% | 0.094 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 179.2 | 178.8 | 63 | 0 | 0 | 0 | 111.4 | A311 N317 I353 V354 Y357 | A311-L313 VanDerWaalsContact C-N 3.33Å; A311-L313 PolarHBondContact O-N 2.77Å; A311-L313 VanDerWaalsContact O-N 3.17Å; L313-N317 WeakPolarHBondContact O-CB 3.24Å; L313-N317 PolarHBondContact O-N 3.07Å; L313-N317 PolarHBondContact O-ND2 2.87Å; L313-N317 VanDerWaalsContact O-ND2 3.16Å; L313-I353 HydrophobicContact CD1-CG2 4.3Å; L313-V354 HydrophobicContact CD1-CG2 3.87Å; L313-Y357 HydrophobicContact CD1-CE2 4.45Å |
| 314 | A | 91.5 | Very high | 91 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | S274 Q278 A311 P312 V316 N317 I318 | S274-A314 WeakPolarHBondContact O-CB 3.21Å; Q278-A314 HydrophobicContact CB-CB 4.25Å; Q278-A314 HydrophobicContact CG-CB 4.16Å; Q278-A314 VanDerWaalsContact NE2-CB 3.28Å; A311-A314 HydrophobicContact CB-CB 4Å; A311-A314 WeakPolarHBondContact O-CA 3.18Å; A311-A314 WeakPolarHBondContact O-CB 3.29Å; A311-A314 PolarHBondContact O-N 2.75Å; P312-A314 VanDerWaalsContact C-N 3.3Å; P312-A314 PolarHBondContact O-N 2.77Å; A314-V316 VanDerWaalsContact C-N 3.33Å; A314-V316 PolarHBondContact O-N 3.24Å; A314-N317 PolarHBondContact O-N 2.73Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.43Å |
| 315 | T | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -51.2 | -51.8 | 173.7 | -48.5 | 0 | 0 | 0 | 0 | 111.1 | L304 A308 A311 P312 N317 I318 L319 V336 | L304-T315 HydrophobicContact CD2-CG2 3.76Å; A308-T315 VanDerWaalsContact CA-OG1 3.29Å; A308-T315 WeakPolarHBondContact CA-OG1 3.26Å; A308-T315 HydrophobicContact CB-CG2 3.57Å; A308-T315 PolarHBondContact O-OG1 3.28Å; A311-T315 PolarHBondContact O-N 2.81Å; A311-T315 PolarHBondContact O-OG1 3.5Å; P312-T315 WeakPolarHBondContact O-CB 3.39Å; P312-T315 PolarHBondContact O-N 2.91Å; T315-N317 PolarHBondContact O-N 3.16Å; T315-I318 PolarHBondContact O-N 3.42Å; T315-L319 WeakPolarHBondContact O-CG 3.35Å; T315-L319 PolarHBondContact O-N 2.84Å; T315-V336 HydrophobicContact CG2-CG1 4Å |
| 316 | V | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.5 | -34.9 | -178 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | P312 A314 I318 L319 M320 V336 F341 V354 Y357 L361 | P312-V316 WeakPolarHBondContact O-CG2 3.11Å; P312-V316 PolarHBondContact O-N 3.33Å; A314-V316 VanDerWaalsContact C-N 3.33Å; A314-V316 PolarHBondContact O-N 3.24Å; V316-I318 VanDerWaalsContact C-N 3.35Å; V316-I318 PolarHBondContact O-N 3.48Å; V316-L319 PolarHBondContact O-N 2.83Å; V316-M320 HydrophobicContact CG1-CG 4.34Å; V316-M320 WeakPolarHBondContact O-CB 3.45Å; V316-M320 VanDerWaalsContact O-CG 3.25Å; V316-M320 WeakPolarHBondContact O-CG 3.47Å; V316-M320 PolarHBondContact O-N 2.99Å; V316-V336 HydrophobicContact CG2-CG1 4.44Å; V316-F341 HydrophobicContact CG2-CE1 3.99Å; V316-F341 HydrophobicContact CG2-CZ 3.81Å; V316-V354 HydrophobicContact CG1-CG1 4.49Å; V316-V354 HydrophobicContact CG2-CG1 3.97Å; V316-Y357 HydrophobicContact CB-CD2 4.18Å; V316-Y357 HydrophobicContact CG1-CD2 3.39Å; V316-Y357 HydrophobicContact CG1-CE2 4.41Å; V316-Y357 HydrophobicContact CG1-CG 3.81Å; V316-L361 HydrophobicContact CG1-CD1 4.1Å |
| 317 | N | 92.2 | Very high | 91 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 173.2 | -77.8 | -40.8 | 0 | 0 | 0 | 112.5 | M35 Q278 L313 A314 T315 M320 S321 Y357 | M35-N317 WeakPolarHBondContact CE-O 3.48Å; M35-N317 PolarHBondContact N-OD1 3.16Å; Q278-N317 HydrophobicContact CB-CB 4.16Å; Q278-N317 PolarHBondContact OE1-ND2 3.43Å; L313-N317 WeakPolarHBondContact O-CB 3.24Å; L313-N317 PolarHBondContact O-N 3.07Å; L313-N317 PolarHBondContact O-ND2 2.87Å; L313-N317 VanDerWaalsContact O-ND2 3.16Å; A314-N317 PolarHBondContact O-N 2.73Å; T315-N317 PolarHBondContact O-N 3.16Å; N317-M320 PolarHBondContact O-N 3.29Å; N317-S321 PolarHBondContact O-N 3.26Å; N317-S321 PolarHBondContact O-OG 3.14Å; N317-S321 VanDerWaalsContact O-OG 3.06Å; N317-Y357 WeakPolarHBondContact OD1-CE2 3.36Å; N317-Y357 PolarHBondContact OD1-OH 2.84Å |
| 318 | I | 94.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.6 | -51.7 | 173.1 | -66.1 | 162 | 0 | 0 | 0 | 109.2 | V277 Q278 L304 A314 T315 V316 M320 S321 L322 | V277-I318 HydrophobicContact CB-CD1 4.17Å; V277-I318 HydrophobicContact CG1-CD1 3.79Å; V277-I318 HydrophobicContact CG1-CG1 4.31Å; Q278-I318 HydrophobicContact CB-CD1 4.38Å; Q278-I318 HydrophobicContact CB-CG1 3.84Å; L304-I318 HydrophobicContact CD1-CG2 4.16Å; L304-I318 HydrophobicContact CD2-CB 4.26Å; L304-I318 HydrophobicContact CD2-CD1 4.09Å; L304-I318 HydrophobicContact CD2-CG2 4.15Å; L304-I318 HydrophobicContact CG-CG2 4.42Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.43Å; T315-I318 PolarHBondContact O-N 3.42Å; V316-I318 VanDerWaalsContact C-N 3.35Å; V316-I318 PolarHBondContact O-N 3.48Å; I318-M320 VanDerWaalsContact C-N 3.26Å; I318-M320 PolarHBondContact O-N 2.86Å; I318-S321 WeakPolarHBondContact O-CA 3.44Å; I318-S321 WeakPolarHBondContact O-CB 3.46Å; I318-S321 PolarHBondContact O-N 3.11Å; I318-L322 HydrophobicContact CG2-CD1 4.04Å; I318-L322 HydrophobicContact CG2-CG 4.38Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.04Å |
| 319 | L | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.9 | -36.3 | 178.1 | -70.6 | 177.6 | 0 | 0 | 0 | 113.1 | L304 T315 V316 S321 L322 C323 P329 A332 V336 L361 | L304-L319 HydrophobicContact CD1-CD2 4.21Å; T315-L319 WeakPolarHBondContact O-CG 3.35Å; T315-L319 PolarHBondContact O-N 2.84Å; V316-L319 PolarHBondContact O-N 2.83Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 3.43Å; L319-L322 HydrophobicContact CD2-CD1 4.48Å; L319-L322 PolarHBondContact O-N 3.32Å; L319-C323 VanDerWaalsContact O-CB 3.25Å; L319-C323 WeakPolarHBondContact O-CB 3.25Å; L319-C323 PolarHBondContact O-N 3.47Å; L319-P329 HydrophobicContact CD2-CG 4Å; L319-A332 HydrophobicContact CD1-CB 4.4Å; L319-A332 HydrophobicContact CD2-CB 3.82Å; L319-V336 HydrophobicContact CD1-CB 4.28Å; L319-V336 HydrophobicContact CD1-CG1 3.6Å; L319-V336 HydrophobicContact CD1-CG2 3.74Å; L319-L361 HydrophobicContact CB-CD1 4.04Å; L319-L361 HydrophobicContact CB-CD2 4.19Å; L319-L361 HydrophobicContact CD1-CD1 4.3Å |
| 320 | M | 92.3 | Very high | 92 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.4 | -32.4 | 174.9 | -76.8 | -51 | -44.6 | 0 | 0 | 112.7 | M35 V316 N317 I318 Q324 Y357 L360 L361 | M35-M320 HydrophobicContact CE-CB 3.37Å; M35-M320 HydrophobicContact SD-CB 3.61Å; V316-M320 HydrophobicContact CG1-CG 4.34Å; V316-M320 WeakPolarHBondContact O-CB 3.45Å; V316-M320 VanDerWaalsContact O-CG 3.25Å; V316-M320 WeakPolarHBondContact O-CG 3.47Å; V316-M320 PolarHBondContact O-N 2.99Å; N317-M320 PolarHBondContact O-N 3.29Å; I318-M320 VanDerWaalsContact C-N 3.26Å; I318-M320 PolarHBondContact O-N 2.86Å; M320-Q324 WeakPolarHBondContact O-CG 3.31Å; M320-Q324 PolarHBondContact O-N 2.99Å; M320-Y357 HydrophobicContact CE-CD1 4.46Å; M320-Y357 HydrophobicContact CG-CD1 3.6Å; M320-Y357 HydrophobicContact CG-CD2 3.97Å; M320-Y357 HydrophobicContact CG-CE1 3.91Å; M320-Y357 HydrophobicContact CG-CE2 4.27Å; M320-Y357 HydrophobicContact CG-CG 3.6Å; M320-Y357 HydrophobicContact SD-CD1 3.87Å; M320-Y357 HydrophobicContact SD-CG 4Å; M320-L360 HydrophobicContact CE-CB 4.42Å; M320-L360 HydrophobicContact CE-CD2 3.29Å; M320-L360 HydrophobicContact CE-CG 3.83Å; M320-L360 HydrophobicContact SD-CD2 4.37Å; M320-L360 HydrophobicContact SD-CG 4.49Å; M320-L361 HydrophobicContact SD-CD1 4.35Å; M320-L361 HydrophobicContact SD-CD2 4.01Å; M320-L361 HydrophobicContact SD-CG 3.81Å |
| 321 | S | 93.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.3 | -42.6 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | M35 G285 N317 I318 L319 Q324 L325 | M35-S321 WeakPolarHBondContact CE-OG 3.31Å; G285-S321 WeakPolarHBondContact CA-O 3.25Å; N317-S321 PolarHBondContact O-N 3.26Å; N317-S321 PolarHBondContact O-OG 3.14Å; N317-S321 VanDerWaalsContact O-OG 3.06Å; I318-S321 WeakPolarHBondContact O-CA 3.44Å; I318-S321 WeakPolarHBondContact O-CB 3.46Å; I318-S321 PolarHBondContact O-N 3.11Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 3.43Å; S321-Q324 WeakPolarHBondContact O-CB 3.26Å; S321-Q324 PolarHBondContact O-N 3.29Å; S321-L325 PolarHBondContact O-N 2.77Å |
| 322 | L | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 174.7 | -69 | -176.4 | 0 | 0 | 0 | 113 | M297 L300 L304 I318 L319 Q324 L325 R326 C327 P329 | M297-L322 HydrophobicContact CE-CD2 3.8Å; M297-L322 HydrophobicContact SD-CD2 3.8Å; L300-L322 HydrophobicContact CD1-CD1 4.45Å; L300-L322 HydrophobicContact CD1-CD2 3.9Å; L304-L322 HydrophobicContact CD1-CD1 4.47Å; I318-L322 HydrophobicContact CG2-CD1 4.04Å; I318-L322 HydrophobicContact CG2-CG 4.38Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.04Å; L319-L322 HydrophobicContact CD2-CD1 4.48Å; L319-L322 PolarHBondContact O-N 3.32Å; L322-Q324 VanDerWaalsContact C-N 3.32Å; L322-Q324 PolarHBondContact O-N 3.07Å; L322-L325 CarbonylContact O-C 3.5Å; L322-L325 WeakPolarHBondContact O-CA 3.11Å; L322-L325 PolarHBondContact O-N 2.93Å; L322-L325 VanDerWaalsContact O-N 3.11Å; L322-R326 PolarHBondContact O-N 3.34Å; L322-C327 WeakPolarHBondContact CB-O 3.43Å; L322-C327 PolarHBondContact O-N 3.11Å; L322-P329 HydrophobicContact CD1-CG 4.21Å |
| 323 | C | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 172.7 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | L319 L325 R326 L328 L361 A364 R503 | L319-C323 VanDerWaalsContact O-CB 3.25Å; L319-C323 WeakPolarHBondContact O-CB 3.25Å; L319-C323 PolarHBondContact O-N 3.47Å; C323-L325 PolarHBondContact O-N 3.05Å; C323-R326 PolarHBondContact O-N 3.27Å; C323-R326 VanDerWaalsContact O-N 3.14Å; C323-L328 HydrophobicContact CB-CD2 3.87Å; C323-L328 HydrophobicContact CB-CG 4.44Å; C323-L361 HydrophobicContact CB-CD2 3.89Å; C323-A364 VanDerWaalsContact SG-CB 3.51Å; C323-R503 PolarHBondContact O-NH2 3.45Å; C323-R503 VanDerWaalsContact O-NH2 3.07Å |
| 324 | Q | 92.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -36 | 176.1 | -69.9 | 171.9 | 12.6 | 0 | 0 | 111.7 | M35 G285 M320 S321 L322 L500 | M35-Q324 PolarHBondContact SD-NE2 2.99Å; G285-Q324 PolarHBondContact O-OE1 3.45Å; M320-Q324 WeakPolarHBondContact O-CG 3.31Å; M320-Q324 PolarHBondContact O-N 2.99Å; S321-Q324 WeakPolarHBondContact O-CB 3.26Å; S321-Q324 PolarHBondContact O-N 3.29Å; L322-Q324 VanDerWaalsContact C-N 3.32Å; L322-Q324 PolarHBondContact O-N 3.07Å; Q324-L500 HydrophobicContact CG-CB 4.48Å; Q324-L500 HydrophobicContact CG-CD2 4.14Å |
| 325 | L | 92.2 | Very high | 93.3 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -80.8 | -5.4 | 177.4 | -62.8 | 175.5 | 0 | 0 | 0 | 114.9 | F284 Y289 S321 L322 C323 C327 | F284-L325 HydrophobicContact CB-CD1 3.91Å; F284-L325 WeakPolarHBondContact O-CD2 3.48Å; Y289-L325 WeakPolarHBondContact O-CD2 3.48Å; S321-L325 PolarHBondContact O-N 2.77Å; L322-L325 CarbonylContact O-C 3.5Å; L322-L325 WeakPolarHBondContact O-CA 3.11Å; L322-L325 PolarHBondContact O-N 2.93Å; L322-L325 VanDerWaalsContact O-N 3.11Å; C323-L325 PolarHBondContact O-N 3.05Å; L325-C327 VanDerWaalsContact C-N 3.32Å; L325-C327 HydrophobicContact CB-CB 4.49Å; L325-C327 PolarHBondContact O-SG 3.2Å; L325-C327 VanDerWaalsContact O-SG 3.37Å |
| 326 | R | 92.5 | Very high | 93.3 | Very high | 164 Ų | 164 | 36.5 Ų | 36.5 | 62% | 0.619 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 28.9 | -172.4 | -48.6 | 177.5 | -167.3 | -161.5 | 3.5 | 114.3 | L322 C323 | L322-R326 PolarHBondContact O-N 3.34Å; C323-R326 PolarHBondContact O-N 3.27Å; C323-R326 VanDerWaalsContact O-N 3.14Å |
| 327 | C | 91.9 | Very high | 93.4 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | trans | -121 | 66.7 | -175 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | M297 L322 L325 P329 | M297-C327 HydrophobicContact CE-CB 3.22Å; M297-C327 VanDerWaalsContact CE-SG 3.54Å; M297-C327 HydrophobicContact SD-CB 3.98Å; L322-C327 WeakPolarHBondContact CB-O 3.43Å; L322-C327 PolarHBondContact O-N 3.11Å; L325-C327 VanDerWaalsContact C-N 3.32Å; L325-C327 HydrophobicContact CB-CB 4.49Å; L325-C327 PolarHBondContact O-SG 3.2Å; L325-C327 VanDerWaalsContact O-SG 3.37Å; C327-P329 VanDerWaalsContact O-CD 3.31Å; C327-P329 WeakPolarHBondContact O-CD 3.25Å | ||
| 328 | L | 92.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | trans | -92.2 | 114.2 | -174.3 | -74.2 | 174.6 | 0 | 0 | 0 | 112.5 | C323 F330 L333 L361 A364 L369 | C323-L328 HydrophobicContact CB-CD2 3.87Å; C323-L328 HydrophobicContact CB-CG 4.44Å; L328-F330 PolarHBondContact O-N 3.49Å; L328-L333 HydrophobicContact CB-CD1 3.98Å; L328-L333 HydrophobicContact CB-CG 4.48Å; L328-L333 HydrophobicContact CD2-CD2 4.33Å; L328-L361 HydrophobicContact CD2-CD2 3.87Å; L328-A364 HydrophobicContact CD1-CB 3.98Å; L328-L369 HydrophobicContact CB-CD1 3.95Å; L328-L369 HydrophobicContact CD1-CD1 4.11Å | ||
| 329 | P | 92.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | trans | -76.8 | 124.9 | -178.8 | 26.9 | -31 | 0 | 0 | 0 | 112.3 | E301 L304 L319 L322 C327 R331 A332 L333 | E301-P329 HydrophobicContact CG-CB 3.69Å; E301-P329 HydrophobicContact CG-CG 4.4Å; E301-P329 VanDerWaalsContact OE1-CB 3.24Å; E301-P329 WeakPolarHBondContact OE1-CB 3.47Å; L304-P329 HydrophobicContact CD1-CG 4.16Å; L319-P329 HydrophobicContact CD2-CG 4Å; L322-P329 HydrophobicContact CD1-CG 4.21Å; C327-P329 VanDerWaalsContact O-CD 3.31Å; C327-P329 WeakPolarHBondContact O-CD 3.25Å; P329-R331 PolarHBondContact O-N 3.4Å; P329-A332 HydrophobicContact CB-CB 4.44Å; P329-A332 HydrophobicContact CG-CB 3.87Å; P329-A332 PolarHBondContact O-N 3.49Å; P329-L333 PolarHBondContact O-N 3.5Å | ||
| 330 | F | 92.7 | Very high | 93.2 | Very high | 107 Ų | 107 | 44.4 Ų | 44.4 | 47% | 0.469 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.8 | -42.2 | -173 | -78.2 | -110.9 | 0 | 0 | 0 | 113.4 | L328 A332 L333 H334 Y372 | L328-F330 PolarHBondContact O-N 3.49Å; F330-A332 PolarHBondContact O-N 3.43Å; F330-L333 PolarHBondContact O-N 3.32Å; F330-H334 WeakPolarHBondContact O-CB 3.33Å; F330-H334 PolarHBondContact O-N 3.45Å; F330-Y372 AromaticContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CE2 4.4Å; F330-Y372 AromaticContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CG-CD2 4.4Å |
| 331 | R | 92.2 | Very high | 93.2 | Very high | 219 Ų | 219 | 44.7 Ų | 44.7 | 83% | 0.826 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.1 | -41.3 | -179.5 | -66.8 | -175.7 | -178.8 | -170.1 | 1.2 | 111.9 | P329 H334 F335 | P329-R331 PolarHBondContact O-N 3.4Å; R331-H334 PolarHBondContact O-N 3.05Å; R331-F335 PolarHBondContact O-N 3.31Å |
| 332 | A | 93.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L304 L319 P329 F330 F335 V336 | L304-A332 HydrophobicContact CB-CB 4.47Å; L304-A332 HydrophobicContact CD1-CB 4.06Å; L319-A332 HydrophobicContact CD1-CB 4.4Å; L319-A332 HydrophobicContact CD2-CB 3.82Å; P329-A332 HydrophobicContact CB-CB 4.44Å; P329-A332 HydrophobicContact CG-CB 3.87Å; P329-A332 PolarHBondContact O-N 3.49Å; F330-A332 PolarHBondContact O-N 3.43Å; A332-F335 PolarHBondContact O-N 2.99Å; A332-V336 WeakPolarHBondContact O-CG2 3.27Å; A332-V336 PolarHBondContact O-N 2.76Å |
| 333 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 171.9 | -70.8 | 176.9 | 0 | 0 | 0 | 111.5 | L328 P329 F330 F335 V336 F337 V365 L369 Y372 | L328-L333 HydrophobicContact CB-CD1 3.98Å; L328-L333 HydrophobicContact CB-CG 4.48Å; L328-L333 HydrophobicContact CD2-CD2 4.33Å; P329-L333 PolarHBondContact O-N 3.5Å; F330-L333 PolarHBondContact O-N 3.32Å; L333-F335 VanDerWaalsContact C-N 3.27Å; L333-F335 PolarHBondContact O-N 3.29Å; L333-V336 PolarHBondContact O-N 3.36Å; L333-F337 HydrophobicContact CB-CD2 4.42Å; L333-F337 HydrophobicContact CD2-CE2 3.99Å; L333-F337 WeakPolarHBondContact O-CB 3.21Å; L333-F337 VanDerWaalsContact O-CD2 3.27Å; L333-F337 WeakPolarHBondContact O-CD2 3.41Å; L333-F337 PolarHBondContact O-N 3.06Å; L333-V365 HydrophobicContact CD1-CG2 3.7Å; L333-V365 HydrophobicContact CD2-CG2 4.03Å; L333-V365 HydrophobicContact CG-CG2 4.45Å; L333-L369 HydrophobicContact CD1-CD1 3.65Å; L333-Y372 HydrophobicContact CB-CE2 3.65Å; L333-Y372 HydrophobicContact CD1-CD2 4.12Å; L333-Y372 HydrophobicContact CD1-CE2 4.04Å |
| 334 | H | 94.5 | Very high | 92.7 | Very high | 107 Ų | 107 | 56.5 Ų | 56.5 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 176.9 | -172.9 | -69.5 | 0 | 0 | 0 | 111.7 | F330 R331 S338 Y372 P375 | F330-H334 WeakPolarHBondContact O-CB 3.33Å; F330-H334 PolarHBondContact O-N 3.45Å; R331-H334 PolarHBondContact O-N 3.05Å; H334-S338 PolarHBondContact O-N 2.94Å; H334-Y372 WeakPolarHBondContact CA-OH 3.36Å; H334-Y372 PolarHBondContact N-OH 3.48Å; H334-P375 WeakPolarHBondContact CD2-CD 3.44Å; H334-P375 WeakPolarHBondContact O-CG 3.4Å |
| 335 | F | 94.1 | Very high | 92.4 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 32% | 0.32 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -51.2 | 176.4 | 179.6 | -100.1 | 0 | 0 | 0 | 112.4 | A308 R331 A332 L333 F337 S338 F341 | A308-F335 HydrophobicContact CB-CD1 3.57Å; A308-F335 HydrophobicContact CB-CE1 3.43Å; A308-F335 VanDerWaalsContact CB-CE1 3.43Å; A308-F335 HydrophobicContact CB-CG 4.41Å; A308-F335 HydrophobicContact CB-CZ 4.18Å; R331-F335 PolarHBondContact O-N 3.31Å; A332-F335 PolarHBondContact O-N 2.99Å; L333-F335 VanDerWaalsContact C-N 3.27Å; L333-F335 PolarHBondContact O-N 3.29Å; F335-F337 VanDerWaalsContact C-N 3.3Å; F335-F337 PolarHBondContact O-N 3.38Å; F335-S338 VanDerWaalsContact O-CB 3.23Å; F335-S338 WeakPolarHBondContact O-CB 3.25Å; F335-S338 PolarHBondContact O-N 3.32Å; F335-S338 PolarHBondContact O-OG 2.92Å; F335-F341 AromaticContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CE2 4.23Å; F335-F341 AromaticContact CE1-CD2 3.31Å; F335-F341 HydrophobicContact CE1-CD2 3.31Å; F335-F341 AromaticContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CG 4.24Å; F335-F341 AromaticContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CE2 4.42Å; F335-F341 WeakPolarHBondContact O-CB 3.31Å |
| 336 | V | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73 | -20.3 | -175.3 | -58.7 | 0 | 0 | 0 | 0 | 114 | T315 V316 L319 A332 L333 F341 L358 | T315-V336 HydrophobicContact CG2-CG1 4Å; V316-V336 HydrophobicContact CG2-CG1 4.44Å; L319-V336 HydrophobicContact CD1-CB 4.28Å; L319-V336 HydrophobicContact CD1-CG1 3.6Å; L319-V336 HydrophobicContact CD1-CG2 3.74Å; A332-V336 WeakPolarHBondContact O-CG2 3.27Å; A332-V336 PolarHBondContact O-N 2.76Å; L333-V336 PolarHBondContact O-N 3.36Å; V336-F341 VanDerWaalsContact CA-CD1 3.44Å; V336-F341 HydrophobicContact CB-CD1 3.9Å; V336-F341 HydrophobicContact CB-CE1 3.59Å; V336-F341 HydrophobicContact CB-CZ 4.14Å; V336-F341 HydrophobicContact CG1-CD1 4.33Å; V336-F341 HydrophobicContact CG1-CE1 3.74Å; V336-F341 HydrophobicContact CG1-CE2 4.31Å; V336-F341 HydrophobicContact CG1-CZ 3.74Å; V336-F341 WeakPolarHBondContact O-CD1 3.37Å; V336-L358 HydrophobicContact CB-CD2 4.07Å; V336-L358 HydrophobicContact CG2-CD2 4.12Å |
| 337 | F | 95.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 0.6 | 170.5 | -67.4 | -52.7 | 0 | 0 | 0 | 113.6 | L333 F335 I342 L358 L361 D362 V365 P375 L377 | L333-F337 HydrophobicContact CB-CD2 4.42Å; L333-F337 HydrophobicContact CD2-CE2 3.99Å; L333-F337 WeakPolarHBondContact O-CB 3.21Å; L333-F337 VanDerWaalsContact O-CD2 3.27Å; L333-F337 WeakPolarHBondContact O-CD2 3.41Å; L333-F337 PolarHBondContact O-N 3.06Å; F335-F337 VanDerWaalsContact C-N 3.3Å; F335-F337 PolarHBondContact O-N 3.38Å; F337-I342 WeakPolarHBondContact O-CD1 3.44Å; F337-L358 HydrophobicContact CD1-CD2 4.43Å; F337-L358 HydrophobicContact CE1-CB 4.32Å; F337-L358 HydrophobicContact CE1-CD2 4.16Å; F337-L361 HydrophobicContact CZ-CB 3.78Å; F337-D362 HydrophobicContact CE1-CB 4.01Å; F337-D362 HydrophobicContact CZ-CB 3.95Å; F337-V365 HydrophobicContact CE2-CG2 4Å; F337-P375 HydrophobicContact CB-CB 4.09Å; F337-P375 HydrophobicContact CB-CG 4Å; F337-P375 WeakPolarHBondContact CB-O 3.46Å; F337-P375 WeakPolarHBondContact CD2-O 3.46Å; F337-L377 HydrophobicContact CD1-CB 4.16Å; F337-L377 HydrophobicContact CE1-CB 4.05Å |
| 338 | S | 93.9 | Very high | 91.4 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -63.1 | 142.9 | 174.9 | 71.9 | 0 | 0 | 0 | 0 | 110.8 | H334 F335 G340 F341 I342 | H334-S338 PolarHBondContact O-N 2.94Å; F335-S338 VanDerWaalsContact O-CB 3.23Å; F335-S338 WeakPolarHBondContact O-CB 3.25Å; F335-S338 PolarHBondContact O-N 3.32Å; F335-S338 PolarHBondContact O-OG 2.92Å; S338-G340 PolarHBondContact O-N 3.26Å; S338-F341 PolarHBondContact O-N 3.09Å; S338-F341 WeakPolarHBondContact OG-CB 3.29Å; S338-F341 PolarHBondContact OG-N 2.78Å; S338-I342 WeakPolarHBondContact O-CG1 3.43Å; S338-I342 PolarHBondContact O-N 2.89Å; S338-I342 VanDerWaalsContact O-N 3.12Å |
| 339 | P | 92 | Very high | 90.9 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -54.7 | -36 | 175.1 | -26.9 | 34.8 | 0 | 0 | 0 | 112.8 | I342 N343 | P339-I342 PolarHBondContact O-N 3.1Å; P339-N343 VanDerWaalsContact O-CB 3.27Å; P339-N343 WeakPolarHBondContact O-CB 3.49Å; P339-N343 PolarHBondContact O-N 3.2Å; P339-N343 PolarHBondContact O-ND2 3.44Å |
| 340 | G | 91.6 | Very high | 90.4 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S338 N343 Y344 | S338-G340 PolarHBondContact O-N 3.26Å; G340-N343 PolarHBondContact O-N 3.05Å; G340-Y344 VanDerWaalsContact O-CB 3.32Å; G340-Y344 WeakPolarHBondContact O-CB 3.32Å; G340-Y344 PolarHBondContact O-N 2.77Å |
| 341 | F | 92.6 | Very high | 90 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 178.8 | -176.5 | -97.8 | 0 | 0 | 0 | 112.3 | P312 V316 F335 V336 S338 Y344 I345 L358 | P312-F341 HydrophobicContact CB-CE2 3.68Å; P312-F341 HydrophobicContact CB-CZ 3.81Å; P312-F341 HydrophobicContact CG-CE2 4.32Å; V316-F341 HydrophobicContact CG2-CE1 3.99Å; V316-F341 HydrophobicContact CG2-CZ 3.81Å; F335-F341 AromaticContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CD2 3.97Å; F335-F341 HydrophobicContact CD1-CE2 4.23Å; F335-F341 AromaticContact CE1-CD2 3.31Å; F335-F341 HydrophobicContact CE1-CD2 3.31Å; F335-F341 AromaticContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CE2 3.58Å; F335-F341 HydrophobicContact CE1-CG 4.24Å; F335-F341 AromaticContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CD2 3.83Å; F335-F341 HydrophobicContact CZ-CE2 4.42Å; F335-F341 WeakPolarHBondContact O-CB 3.31Å; V336-F341 VanDerWaalsContact CA-CD1 3.44Å; V336-F341 HydrophobicContact CB-CD1 3.9Å; V336-F341 HydrophobicContact CB-CE1 3.59Å; V336-F341 HydrophobicContact CB-CZ 4.14Å; V336-F341 HydrophobicContact CG1-CD1 4.33Å; V336-F341 HydrophobicContact CG1-CE1 3.74Å; V336-F341 HydrophobicContact CG1-CE2 4.31Å; V336-F341 HydrophobicContact CG1-CZ 3.74Å; V336-F341 WeakPolarHBondContact O-CD1 3.37Å; S338-F341 PolarHBondContact O-N 3.09Å; S338-F341 WeakPolarHBondContact OG-CB 3.29Å; S338-F341 PolarHBondContact OG-N 2.78Å; F341-Y344 PolarHBondContact O-N 2.92Å; F341-I345 HydrophobicContact CD1-CD1 3.38Å; F341-I345 HydrophobicContact CD2-CD1 4.23Å; F341-I345 HydrophobicContact CE1-CD1 2.96Å; F341-I345 HydrophobicContact CE1-CG1 4.4Å; F341-I345 HydrophobicContact CE2-CD1 3.86Å; F341-I345 HydrophobicContact CG-CD1 4.04Å; F341-I345 HydrophobicContact CZ-CD1 3.23Å; F341-I345 HydrophobicContact CZ-CG1 4.48Å; F341-I345 PolarHBondContact O-N 3.37Å; F341-L358 HydrophobicContact CE1-CD2 4.45Å |
| 342 | I | 91.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 178.9 | -72.8 | 174.4 | 0 | 0 | 0 | 111.5 | F337 S338 P339 Y344 I345 S346 L358 L377 | F337-I342 WeakPolarHBondContact O-CD1 3.44Å; S338-I342 WeakPolarHBondContact O-CG1 3.43Å; S338-I342 PolarHBondContact O-N 2.89Å; S338-I342 VanDerWaalsContact O-N 3.12Å; P339-I342 PolarHBondContact O-N 3.1Å; I342-Y344 VanDerWaalsContact C-N 3.34Å; I342-I345 PolarHBondContact O-N 3.07Å; I342-S346 PolarHBondContact O-N 2.89Å; I342-S346 VanDerWaalsContact O-N 3.11Å; I342-S346 PolarHBondContact O-OG 3.01Å; I342-L358 HydrophobicContact CG1-CD1 4.38Å; I342-L377 HydrophobicContact CD1-CD1 3.98Å |
| 343 | N | 90.2 | Very high | 88.9 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 178.1 | -72.5 | -13.5 | 0 | 0 | 0 | 110.6 | P339 G340 I345 S346 | P339-N343 VanDerWaalsContact O-CB 3.27Å; P339-N343 WeakPolarHBondContact O-CB 3.49Å; P339-N343 PolarHBondContact O-N 3.2Å; P339-N343 PolarHBondContact O-ND2 3.44Å; G340-N343 PolarHBondContact O-N 3.05Å; N343-I345 PolarHBondContact O-N 3.08Å; N343-S346 PolarHBondContact O-N 3.13Å |
| 344 | Y | 89.3 | Confident | 88.4 | Confident | 134 Ų | 134 | 52.4 Ų | 52.4 | 53% | 0.525 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 176.1 | 178.5 | -115.7 | 0 | 0 | 0 | 112.2 | P312 G340 F341 I342 S346 G347 | P312-Y344 HydrophobicContact CG-CD1 3.8Å; P312-Y344 HydrophobicContact CG-CE1 3.36Å; G340-Y344 VanDerWaalsContact O-CB 3.32Å; G340-Y344 WeakPolarHBondContact O-CB 3.32Å; G340-Y344 PolarHBondContact O-N 2.77Å; F341-Y344 PolarHBondContact O-N 2.92Å; I342-Y344 VanDerWaalsContact C-N 3.34Å; Y344-S346 VanDerWaalsContact C-N 3.3Å; Y344-S346 PolarHBondContact O-N 2.9Å; Y344-G347 PolarHBondContact O-N 3.13Å |
| 345 | I | 86.6 | Confident | 88.1 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -31.1 | -179.7 | -81 | 154 | 0 | 0 | 0 | 113.2 | P312 F341 I342 N343 G347 T348 A351 V354 | P312-I345 HydrophobicContact CB-CD1 3.88Å; P312-I345 HydrophobicContact CB-CG1 3.87Å; P312-I345 HydrophobicContact CG-CG1 4.48Å; F341-I345 HydrophobicContact CD1-CD1 3.38Å; F341-I345 HydrophobicContact CD2-CD1 4.23Å; F341-I345 HydrophobicContact CE1-CD1 2.96Å; F341-I345 HydrophobicContact CE1-CG1 4.4Å; F341-I345 HydrophobicContact CE2-CD1 3.86Å; F341-I345 HydrophobicContact CG-CD1 4.04Å; F341-I345 HydrophobicContact CZ-CD1 3.23Å; F341-I345 HydrophobicContact CZ-CG1 4.48Å; F341-I345 PolarHBondContact O-N 3.37Å; I342-I345 PolarHBondContact O-N 3.07Å; N343-I345 PolarHBondContact O-N 3.08Å; I345-G347 PolarHBondContact O-N 2.78Å; I345-G347 VanDerWaalsContact O-N 3.15Å; I345-T348 WeakPolarHBondContact O-CB 3.39Å; I345-T348 PolarHBondContact O-N 3.42Å; I345-T348 PolarHBondContact O-OG1 2.83Å; I345-A351 WeakPolarHBondContact O-CB 3.27Å; I345-V354 HydrophobicContact CD1-CG1 3.61Å; I345-V354 HydrophobicContact CG1-CG1 4.3Å; I345-V354 HydrophobicContact CG2-CB 3.7Å; I345-V354 HydrophobicContact CG2-CG1 3.73Å; I345-V354 HydrophobicContact CG2-CG2 4.3Å |
| 346 | S | 85.3 | Confident | 87.7 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -26.5 | -178.1 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | I342 N343 Y344 | I342-S346 PolarHBondContact O-N 2.89Å; I342-S346 VanDerWaalsContact O-N 3.11Å; I342-S346 PolarHBondContact O-OG 3.01Å; N343-S346 PolarHBondContact O-N 3.13Å; Y344-S346 VanDerWaalsContact C-N 3.3Å; Y344-S346 PolarHBondContact O-N 2.9Å |
| 347 | G | 84.1 | Confident | 87.4 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 76% | 0.763 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y344 I345 | Y344-G347 PolarHBondContact O-N 3.13Å; I345-G347 PolarHBondContact O-N 2.78Å; I345-G347 VanDerWaalsContact O-N 3.15Å |
| 348 | T | 85.5 | Confident | 87.3 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -95.4 | 154.7 | -176.8 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | I345 H350 A351 | I345-T348 WeakPolarHBondContact O-CB 3.39Å; I345-T348 PolarHBondContact O-N 3.42Å; I345-T348 PolarHBondContact O-OG1 2.83Å; T348-H350 PolarHBondContact O-N 3.17Å; T348-H350 PolarHBondContact OG1-N 3.26Å; T348-A351 WeakPolarHBondContact O-CB 3.31Å; T348-A351 PolarHBondContact O-N 3.35Å; T348-A351 VanDerWaalsContact O-N 3.07Å; T348-A351 PolarHBondContact OG1-N 3.18Å |
| 349 | P | 83.2 | Confident | 87.1 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 67% | 0.669 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.8 | 172.6 | 26.5 | -36.5 | 0 | 0 | 0 | 113.5 | ||
| 350 | H | 80.9 | Confident | 87 | Confident | 67 Ų | 67 | 45.6 Ų | 45.6 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 2.2 | 180 | -55.7 | -40 | 0 | 0 | 0 | 113.4 | T348 L352 I353 V354 | T348-H350 PolarHBondContact O-N 3.17Å; T348-H350 PolarHBondContact OG1-N 3.26Å; H350-L352 VanDerWaalsContact C-N 3.32Å; H350-L352 PolarHBondContact O-N 3.07Å; H350-I353 PolarHBondContact O-N 2.92Å; H350-I353 VanDerWaalsContact O-N 3.14Å; H350-V354 HydrophobicContact CB-CG2 4.14Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 3.37Å |
| 351 | A | 84.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -48.6 | -48.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I345 T348 I353 V354 R355 | I345-A351 WeakPolarHBondContact O-CB 3.27Å; T348-A351 WeakPolarHBondContact O-CB 3.31Å; T348-A351 PolarHBondContact O-N 3.35Å; T348-A351 VanDerWaalsContact O-N 3.07Å; T348-A351 PolarHBondContact OG1-N 3.18Å; A351-I353 PolarHBondContact O-N 3.39Å; A351-V354 PolarHBondContact O-N 3.23Å; A351-R355 VanDerWaalsContact O-CB 3.3Å; A351-R355 WeakPolarHBondContact O-CB 3.38Å; A351-R355 VanDerWaalsContact O-CG 3.23Å; A351-R355 WeakPolarHBondContact O-CG 3.31Å; A351-R355 PolarHBondContact O-N 2.85Å |
| 352 | L | 81.5 | Confident | 87.1 | Confident | 102 Ų | 102 | 43 Ų | 43 | 53% | 0.534 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -44.6 | -177 | -174.8 | 66.4 | 0 | 0 | 0 | 113 | H350 R356 | H350-L352 VanDerWaalsContact C-N 3.32Å; H350-L352 PolarHBondContact O-N 3.07Å; L352-R356 WeakPolarHBondContact O-CG 3.49Å; L352-R356 PolarHBondContact O-N 3.48Å |
| 353 | I | 80.4 | Confident | 87.1 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 180 | -68.8 | 158.3 | 0 | 0 | 0 | 109.4 | P30 L36 L313 H350 A351 R356 Y357 | P30-I353 HydrophobicContact CB-CD1 3.61Å; P30-I353 HydrophobicContact CG-CD1 3.87Å; L36-I353 HydrophobicContact CB-CG2 4.16Å; L36-I353 HydrophobicContact CD1-CB 4.08Å; L36-I353 HydrophobicContact CD1-CG1 4.38Å; L36-I353 HydrophobicContact CD1-CG2 3.55Å; L36-I353 HydrophobicContact CG-CG2 4.43Å; L313-I353 HydrophobicContact CD1-CG2 4.3Å; H350-I353 PolarHBondContact O-N 2.92Å; H350-I353 VanDerWaalsContact O-N 3.14Å; A351-I353 PolarHBondContact O-N 3.39Å; I353-R356 WeakPolarHBondContact O-CB 3.39Å; I353-R356 PolarHBondContact O-N 3.15Å; I353-Y357 HydrophobicContact CG2-CD2 4.4Å; I353-Y357 HydrophobicContact CG2-CE2 3.99Å; I353-Y357 PolarHBondContact O-N 3.22Å; I353-Y357 VanDerWaalsContact O-N 3.11Å |
| 354 | V | 85.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | -178.8 | 179 | 0 | 0 | 0 | 0 | 110.9 | L313 V316 I345 H350 A351 R356 Y357 L358 | L313-V354 HydrophobicContact CD1-CG2 3.87Å; V316-V354 HydrophobicContact CG1-CG1 4.49Å; V316-V354 HydrophobicContact CG2-CG1 3.97Å; I345-V354 HydrophobicContact CD1-CG1 3.61Å; I345-V354 HydrophobicContact CG1-CG1 4.3Å; I345-V354 HydrophobicContact CG2-CB 3.7Å; I345-V354 HydrophobicContact CG2-CG1 3.73Å; I345-V354 HydrophobicContact CG2-CG2 4.3Å; H350-V354 HydrophobicContact CB-CG2 4.14Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 3.37Å; A351-V354 PolarHBondContact O-N 3.23Å; V354-R356 VanDerWaalsContact C-N 3.29Å; V354-R356 PolarHBondContact O-N 3.21Å; V354-Y357 CarbonylContact O-C 3.56Å; V354-Y357 WeakPolarHBondContact O-CB 3.39Å; V354-Y357 PolarHBondContact O-N 2.92Å; V354-Y357 VanDerWaalsContact O-N 3.12Å; V354-L358 HydrophobicContact CG1-CD1 4Å; V354-L358 HydrophobicContact CG1-CG 4.02Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 3.46Å |
| 355 | R | 87.3 | Confident | 87.4 | Confident | 81 Ų | 81 | 31.4 Ų | 31.4 | 31% | 0.306 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.7 | -39.7 | 173.2 | -80.6 | -179.6 | 63.5 | -171.1 | 2.7 | 113 | A351 L358 S359 Q381 V383 | A351-R355 VanDerWaalsContact O-CB 3.3Å; A351-R355 WeakPolarHBondContact O-CB 3.38Å; A351-R355 VanDerWaalsContact O-CG 3.23Å; A351-R355 WeakPolarHBondContact O-CG 3.31Å; A351-R355 PolarHBondContact O-N 2.85Å; R355-L358 PolarHBondContact O-N 2.98Å; R355-S359 WeakPolarHBondContact O-CB 3.36Å; R355-S359 PolarHBondContact O-N 3.27Å; R355-S359 PolarHBondContact O-OG 3.11Å; R355-Q381 PolarHBondContact NE-O 3.2Å; R355-Q381 VanDerWaalsContact NE-O 3.13Å; R355-Q381 PolarHBondContact NH2-O 2.6Å; R355-V383 HydrophobicContact CB-CG2 4.26Å |
| 356 | R | 85.7 | Confident | 87.6 | Confident | 56 Ų | 56 | 32.9 Ų | 32.9 | 21% | 0.211 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.5 | -73.2 | 179.4 | -178.6 | 170.3 | 3.6 | 111.7 | L36 L352 I353 V354 S359 L360 V383 | L36-R356 HydrophobicContact CD1-CB 4.03Å; L352-R356 WeakPolarHBondContact O-CG 3.49Å; L352-R356 PolarHBondContact O-N 3.48Å; I353-R356 WeakPolarHBondContact O-CB 3.39Å; I353-R356 PolarHBondContact O-N 3.15Å; V354-R356 VanDerWaalsContact C-N 3.29Å; V354-R356 PolarHBondContact O-N 3.21Å; R356-S359 PolarHBondContact O-N 2.71Å; R356-L360 PolarHBondContact O-N 3.14Å; R356-V383 HydrophobicContact CB-CG2 4.28Å; R356-V383 HydrophobicContact CG-CG2 3.64Å |
| 357 | Y | 88.5 | Confident | 87.8 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.5 | -69.1 | -25 | 0 | 0 | 0 | 112.9 | M35 L36 L313 V316 N317 M320 I353 V354 S359 L360 L361 | M35-Y357 VanDerWaalsContact CA-OH 3.24Å; M35-Y357 WeakPolarHBondContact CA-OH 3.46Å; M35-Y357 HydrophobicContact CB-CE1 4.35Å; M35-Y357 WeakPolarHBondContact CB-OH 3.09Å; M35-Y357 PolarHBondContact N-OH 3.21Å; L36-Y357 HydrophobicContact CB-CE1 4.06Å; L36-Y357 HydrophobicContact CD1-CD1 3.89Å; L36-Y357 HydrophobicContact CD1-CE1 3.63Å; L36-Y357 HydrophobicContact CG-CD1 4.09Å; L36-Y357 HydrophobicContact CG-CE1 3.4Å; L36-Y357 VanDerWaalsContact CG-CE1 3.4Å; L36-Y357 PolarHBondContact N-OH 3.39Å; L313-Y357 HydrophobicContact CD1-CE2 4.45Å; V316-Y357 HydrophobicContact CB-CD2 4.18Å; V316-Y357 HydrophobicContact CG1-CD2 3.39Å; V316-Y357 HydrophobicContact CG1-CE2 4.41Å; V316-Y357 HydrophobicContact CG1-CG 3.81Å; N317-Y357 WeakPolarHBondContact OD1-CE2 3.36Å; N317-Y357 PolarHBondContact OD1-OH 2.84Å; M320-Y357 HydrophobicContact CE-CD1 4.46Å; M320-Y357 HydrophobicContact CG-CD1 3.6Å; M320-Y357 HydrophobicContact CG-CD2 3.97Å; M320-Y357 HydrophobicContact CG-CE1 3.91Å; M320-Y357 HydrophobicContact CG-CE2 4.27Å; M320-Y357 HydrophobicContact CG-CG 3.6Å; M320-Y357 HydrophobicContact SD-CD1 3.87Å; M320-Y357 HydrophobicContact SD-CG 4Å; I353-Y357 HydrophobicContact CG2-CD2 4.4Å; I353-Y357 HydrophobicContact CG2-CE2 3.99Å; I353-Y357 PolarHBondContact O-N 3.22Å; I353-Y357 VanDerWaalsContact O-N 3.11Å; V354-Y357 CarbonylContact O-C 3.56Å; V354-Y357 WeakPolarHBondContact O-CB 3.39Å; V354-Y357 PolarHBondContact O-N 2.92Å; V354-Y357 VanDerWaalsContact O-N 3.12Å; Y357-S359 PolarHBondContact O-N 2.73Å; Y357-L360 CarbonylContact O-C 3.48Å; Y357-L360 PolarHBondContact O-N 3.21Å; Y357-L360 VanDerWaalsContact O-N 3.11Å; Y357-L361 WeakPolarHBondContact O-CB 3.2Å; Y357-L361 WeakPolarHBondContact O-CG 3.37Å; Y357-L361 PolarHBondContact O-N 2.87Å |
| 358 | L | 92.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -37 | 176.7 | -68.6 | 177.4 | 0 | 0 | 0 | 110.9 | V336 F337 F341 I342 V354 R355 L361 D362 L377 | V336-L358 HydrophobicContact CB-CD2 4.07Å; V336-L358 HydrophobicContact CG2-CD2 4.12Å; F337-L358 HydrophobicContact CD1-CD2 4.43Å; F337-L358 HydrophobicContact CE1-CB 4.32Å; F337-L358 HydrophobicContact CE1-CD2 4.16Å; F341-L358 HydrophobicContact CE1-CD2 4.45Å; I342-L358 HydrophobicContact CG1-CD1 4.38Å; V354-L358 HydrophobicContact CG1-CD1 4Å; V354-L358 HydrophobicContact CG1-CG 4.02Å; V354-L358 WeakPolarHBondContact O-CG 3.36Å; V354-L358 PolarHBondContact O-N 3.46Å; R355-L358 PolarHBondContact O-N 2.98Å; L358-L361 HydrophobicContact CD2-CD1 4.44Å; L358-L361 PolarHBondContact O-N 3.36Å; L358-D362 WeakPolarHBondContact O-CB 3.22Å; L358-D362 PolarHBondContact O-N 3.28Å; L358-L377 HydrophobicContact CB-CD1 4.18Å; L358-L377 HydrophobicContact CB-CD2 4.08Å; L358-L377 HydrophobicContact CD1-CD1 4.4Å |
| 359 | S | 90.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 112 | R355 R356 Y357 T363 V383 | R355-S359 WeakPolarHBondContact O-CB 3.36Å; R355-S359 PolarHBondContact O-N 3.27Å; R355-S359 PolarHBondContact O-OG 3.11Å; R356-S359 PolarHBondContact O-N 2.71Å; Y357-S359 PolarHBondContact O-N 2.73Å; S359-T363 WeakPolarHBondContact O-CB 3.43Å; S359-T363 PolarHBondContact O-N 3.39Å; S359-T363 PolarHBondContact O-OG1 3.36Å; S359-V383 WeakPolarHBondContact CB-O 3.42Å; S359-V383 PolarHBondContact OG-N 3.49Å |
| 360 | L | 89.8 | Confident | 88.5 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.1 | -38.7 | 175.5 | 179.5 | 52.3 | 0 | 0 | 0 | 112.7 | M320 R356 Y357 T363 A364 I385 F386 Y428 L500 | M320-L360 HydrophobicContact CE-CB 4.42Å; M320-L360 HydrophobicContact CE-CD2 3.29Å; M320-L360 HydrophobicContact CE-CG 3.83Å; M320-L360 HydrophobicContact SD-CD2 4.37Å; M320-L360 HydrophobicContact SD-CG 4.49Å; R356-L360 PolarHBondContact O-N 3.14Å; Y357-L360 CarbonylContact O-C 3.48Å; Y357-L360 PolarHBondContact O-N 3.21Å; Y357-L360 VanDerWaalsContact O-N 3.11Å; L360-T363 WeakPolarHBondContact O-CB 3.43Å; L360-T363 PolarHBondContact O-N 2.98Å; L360-A364 WeakPolarHBondContact O-CB 3.29Å; L360-A364 PolarHBondContact O-N 3.2Å; L360-I385 HydrophobicContact CB-CD1 3.91Å; L360-I385 HydrophobicContact CB-CG1 4.11Å; L360-I385 HydrophobicContact CB-CG2 3.77Å; L360-I385 HydrophobicContact CD1-CD1 3.89Å; L360-I385 HydrophobicContact CD1-CG2 4.32Å; L360-I385 HydrophobicContact CD2-CG2 3.91Å; L360-I385 HydrophobicContact CG-CD1 4.46Å; L360-I385 HydrophobicContact CG-CG2 4.21Å; L360-F386 HydrophobicContact CD2-CZ 4.12Å; L360-Y428 WeakPolarHBondContact CD1-OH 3.39Å; L360-L500 HydrophobicContact CD1-CD2 4.2Å; L360-L500 HydrophobicContact CD2-CD2 4.09Å; L360-L500 HydrophobicContact CG-CD2 4.44Å |
| 361 | L | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 172.2 | -71 | 171.3 | 0 | 0 | 0 | 110.4 | V316 L319 M320 C323 L328 F337 Y357 L358 T363 A364 V365 | V316-L361 HydrophobicContact CG1-CD1 4.1Å; L319-L361 HydrophobicContact CB-CD1 4.04Å; L319-L361 HydrophobicContact CB-CD2 4.19Å; L319-L361 HydrophobicContact CD1-CD1 4.3Å; M320-L361 HydrophobicContact SD-CD1 4.35Å; M320-L361 HydrophobicContact SD-CD2 4.01Å; M320-L361 HydrophobicContact SD-CG 3.81Å; C323-L361 HydrophobicContact CB-CD2 3.89Å; L328-L361 HydrophobicContact CD2-CD2 3.87Å; F337-L361 HydrophobicContact CZ-CB 3.78Å; Y357-L361 WeakPolarHBondContact O-CB 3.2Å; Y357-L361 WeakPolarHBondContact O-CG 3.37Å; Y357-L361 PolarHBondContact O-N 2.87Å; L358-L361 HydrophobicContact CD2-CD1 4.44Å; L358-L361 PolarHBondContact O-N 3.36Å; L361-T363 VanDerWaalsContact C-N 3.25Å; L361-T363 PolarHBondContact O-N 2.8Å; L361-A364 PolarHBondContact O-N 2.77Å; L361-A364 VanDerWaalsContact O-N 3.09Å; L361-V365 WeakPolarHBondContact O-CG2 3.34Å; L361-V365 PolarHBondContact O-N 3.39Å |
| 362 | D | 93.3 | Very high | 89 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 178.6 | -172.7 | 65.1 | 0 | 0 | 0 | 110.9 | F337 L358 E366 R376 L377 Q382 | F337-D362 HydrophobicContact CE1-CB 4.01Å; F337-D362 HydrophobicContact CZ-CB 3.95Å; L358-D362 WeakPolarHBondContact O-CB 3.22Å; L358-D362 PolarHBondContact O-N 3.28Å; D362-E366 PolarHBondContact O-N 3.41Å; D362-E366 VanDerWaalsContact O-N 3.13Å; D362-R376 PolarHBondContact O-NH2 3.11Å; D362-R376 IonicContact OD1-CZ 3.03Å; D362-R376 IonicContact OD1-NE 3.8Å; D362-R376 PolarHBondContact OD1-NE 3.48Å; D362-R376 IonicContact OD1-NH2 3.62Å; D362-R376 PolarHBondContact OD1-NH2 3.44Å; D362-R376 IonicContact OD2-NH2 3.35Å; D362-L377 HydrophobicContact CB-CB 3.85Å; D362-L377 PolarHBondContact OD1-N 3Å; D362-Q382 PolarHBondContact OD2-NE2 3.19Å |
| 363 | T | 90.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 170 | -64 | 0 | 0 | 0 | 0 | 111.5 | S359 L360 L361 V365 E366 L367 P426 Y454 | S359-T363 WeakPolarHBondContact O-CB 3.43Å; S359-T363 PolarHBondContact O-N 3.39Å; S359-T363 PolarHBondContact O-OG1 3.36Å; L360-T363 WeakPolarHBondContact O-CB 3.43Å; L360-T363 PolarHBondContact O-N 2.98Å; L361-T363 VanDerWaalsContact C-N 3.25Å; L361-T363 PolarHBondContact O-N 2.8Å; T363-V365 VanDerWaalsContact C-N 3.31Å; T363-V365 PolarHBondContact O-N 2.78Å; T363-E366 WeakPolarHBondContact O-CB 3.5Å; T363-E366 PolarHBondContact O-N 3.22Å; T363-L367 HydrophobicContact CG2-CD1 3.65Å; T363-L367 HydrophobicContact CG2-CG 4.33Å; T363-L367 WeakPolarHBondContact O-CG 3.48Å; T363-L367 PolarHBondContact O-N 3.06Å; T363-P426 HydrophobicContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact OG1-CG 3.22Å; T363-P426 WeakPolarHBondContact OG1-CG 3.3Å; T363-Y454 WeakPolarHBondContact CG2-OH 3.5Å; T363-Y454 PolarHBondContact OG1-OH 2.97Å |
| 364 | A | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C323 L328 L360 L361 L367 E368 | C323-A364 VanDerWaalsContact SG-CB 3.51Å; L328-A364 HydrophobicContact CD1-CB 3.98Å; L360-A364 WeakPolarHBondContact O-CB 3.29Å; L360-A364 PolarHBondContact O-N 3.2Å; L361-A364 PolarHBondContact O-N 2.77Å; L361-A364 VanDerWaalsContact O-N 3.09Å; A364-L367 PolarHBondContact O-N 3.11Å; A364-E368 WeakPolarHBondContact O-CA 3.23Å; A364-E368 WeakPolarHBondContact O-CB 3.32Å; A364-E368 WeakPolarHBondContact O-CG 3.45Å; A364-E368 PolarHBondContact O-N 3.17Å |
| 365 | V | 93.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.7 | 171.7 | 0 | 0 | 0 | 0 | 111 | L333 F337 L361 T363 L369 Y372 | L333-V365 HydrophobicContact CD1-CG2 3.7Å; L333-V365 HydrophobicContact CD2-CG2 4.03Å; L333-V365 HydrophobicContact CG-CG2 4.45Å; F337-V365 HydrophobicContact CE2-CG2 4Å; L361-V365 WeakPolarHBondContact O-CG2 3.34Å; L361-V365 PolarHBondContact O-N 3.39Å; T363-V365 VanDerWaalsContact C-N 3.31Å; T363-V365 PolarHBondContact O-N 2.78Å; V365-L369 HydrophobicContact CG2-CD1 4.22Å; V365-L369 CarbonylContact O-C 3.39Å; V365-L369 WeakPolarHBondContact O-CB 3.09Å; V365-L369 PolarHBondContact O-N 3.24Å; V365-L369 VanDerWaalsContact O-N 3.12Å; V365-Y372 HydrophobicContact CG1-CD1 3.32Å; V365-Y372 HydrophobicContact CG1-CE1 3.97Å; V365-Y372 HydrophobicContact CG1-CG 3.67Å |
| 366 | E | 90.1 | Very high | 90.6 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 177.9 | -165.5 | 67.8 | -146.7 | 0 | 0 | 112.3 | D362 T363 R376 P455 R457 | D362-E366 PolarHBondContact O-N 3.41Å; D362-E366 VanDerWaalsContact O-N 3.13Å; T363-E366 WeakPolarHBondContact O-CB 3.5Å; T363-E366 PolarHBondContact O-N 3.22Å; E366-R376 IonicContact OE2-CZ 3.27Å; E366-R376 IonicContact OE2-NH1 2.92Å; E366-R376 PolarHBondContact OE2-NH1 2.77Å; E366-R376 IonicContact OE2-NH2 2.71Å; E366-R376 PolarHBondContact OE2-NH2 2.91Å; E366-P455 HydrophobicContact CG-CG 4.44Å; E366-R457 WeakPolarHBondContact OE1-CA 3.37Å |
| 367 | L | 90.1 | Very high | 90.9 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.099 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -84.6 | -35.9 | -171.3 | -64.5 | 177.2 | 0 | 0 | 0 | 113 | T363 A364 P455 H504 L507 M508 | T363-L367 HydrophobicContact CG2-CD1 3.65Å; T363-L367 HydrophobicContact CG2-CG 4.33Å; T363-L367 WeakPolarHBondContact O-CG 3.48Å; T363-L367 PolarHBondContact O-N 3.06Å; A364-L367 PolarHBondContact O-N 3.11Å; L367-P455 HydrophobicContact CD2-CG 3.56Å; L367-H504 HydrophobicContact CD1-CB 3.73Å; L367-L507 HydrophobicContact CB-CB 4.23Å; L367-L507 HydrophobicContact CB-CD1 4.01Å; L367-L507 HydrophobicContact CD2-CB 4.35Å; L367-M508 HydrophobicContact CD1-CG 4.04Å; L367-M508 HydrophobicContact CD1-SD 4.5Å; L367-M508 HydrophobicContact CD2-CG 3.75Å |
| 368 | E | 91.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -109 | -19.1 | -168.6 | -53.7 | -174.6 | 168.5 | 0 | 0 | 113.7 | A364 P370 R503 H504 L507 | A364-E368 WeakPolarHBondContact O-CA 3.23Å; A364-E368 WeakPolarHBondContact O-CB 3.32Å; A364-E368 WeakPolarHBondContact O-CG 3.45Å; A364-E368 PolarHBondContact O-N 3.17Å; E368-P370 WeakPolarHBondContact O-CD 3.45Å; E368-R503 IonicContact OE1-CZ 2.9Å; E368-R503 IonicContact OE1-NE 3.87Å; E368-R503 PolarHBondContact OE1-NE 2.96Å; E368-R503 IonicContact OE1-NH2 2.73Å; E368-R503 PolarHBondContact OE1-NH2 3.31Å; E368-R503 IonicContact OE2-NH2 2.71Å; E368-H504 IonicContact OE1-CD2 3.7Å; E368-H504 PolarHBondContact OE1-CD2 3.46Å; E368-H504 VanDerWaalsContact OE1-CD2 3.27Å; E368-H504 IonicContact OE1-NE2 2.76Å; E368-H504 PolarHBondContact OE1-NE2 3.5Å; E368-L507 HydrophobicContact CG-CD1 3.87Å |
| 369 | L | 91.5 | Very high | 90.5 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | trans | -125.5 | 70.6 | -172 | -59.4 | 178.7 | 0 | 0 | 0 | 112.7 | L328 L333 V365 G371 Y372 | L328-L369 HydrophobicContact CB-CD1 3.95Å; L328-L369 HydrophobicContact CD1-CD1 4.11Å; L333-L369 HydrophobicContact CD1-CD1 3.65Å; V365-L369 HydrophobicContact CG2-CD1 4.22Å; V365-L369 CarbonylContact O-C 3.39Å; V365-L369 WeakPolarHBondContact O-CB 3.09Å; V365-L369 PolarHBondContact O-N 3.24Å; V365-L369 VanDerWaalsContact O-N 3.12Å; L369-G371 PolarHBondContact O-N 3.12Å; L369-Y372 PolarHBondContact O-N 2.78Å; L369-Y372 VanDerWaalsContact O-N 3.08Å | ||
| 370 | P | 84.8 | Confident | 90.3 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 84% | 0.838 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.7 | -177.3 | 24 | -34.4 | 0 | 0 | 0 | 114.5 | E368 | E368-P370 WeakPolarHBondContact O-CD 3.45Š|
| 371 | G | 85.4 | Confident | 90 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -0.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L369 R373 | L369-G371 PolarHBondContact O-N 3.12Å; G371-R373 PolarHBondContact O-N 3.11Å |
| 372 | Y | 91.2 | Very high | 89.5 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | trans | -74.6 | 116.1 | -176.5 | 179.9 | -93.4 | 0 | 0 | 0 | 112.1 | F330 L333 H334 V365 L369 G374 P375 | F330-Y372 AromaticContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CD2 3.63Å; F330-Y372 HydrophobicContact CD1-CE2 4.4Å; F330-Y372 AromaticContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CE1-CD2 3.99Å; F330-Y372 HydrophobicContact CG-CD2 4.4Å; L333-Y372 HydrophobicContact CB-CE2 3.65Å; L333-Y372 HydrophobicContact CD1-CD2 4.12Å; L333-Y372 HydrophobicContact CD1-CE2 4.04Å; H334-Y372 WeakPolarHBondContact CA-OH 3.36Å; H334-Y372 PolarHBondContact N-OH 3.48Å; V365-Y372 HydrophobicContact CG1-CD1 3.32Å; V365-Y372 HydrophobicContact CG1-CE1 3.97Å; V365-Y372 HydrophobicContact CG1-CG 3.67Å; L369-Y372 PolarHBondContact O-N 2.78Å; L369-Y372 VanDerWaalsContact O-N 3.08Å; Y372-G374 VanDerWaalsContact CE1-C 3.43Å; Y372-G374 WeakPolarHBondContact CE1-O 3.33Å; Y372-G374 VanDerWaalsContact CZ-CA 3.45Å; Y372-P375 VanDerWaalsContact CE1-O 3.29Å; Y372-P375 WeakPolarHBondContact CE1-O 3.35Å; Y372-P375 PolarHBondContact OH-O 3.35Å | ||
| 373 | R | 90 | Very high | 89 | Confident | 245 Ų | 245 | 63.2 Ų | 63.2 | 93% | 0.925 | 31% | 0.307 | S | S | * | . | trans | -106.1 | 7.3 | 179.6 | -60.4 | -173.5 | -178.6 | -162.9 | 0.2 | 114.3 | G371 | G371-R373 PolarHBondContact O-N 3.11Š| ||
| 374 | G | 90.7 | Very high | 88.2 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 22% | 0.216 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -78.5 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y372 | Y372-G374 VanDerWaalsContact CE1-C 3.43Å; Y372-G374 WeakPolarHBondContact CE1-O 3.33Å; Y372-G374 VanDerWaalsContact CZ-CA 3.45Å |
| 375 | P | 93.4 | Very high | 87.3 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 24% | 0.24 | 33% | 0.332 | C | S | . | . | trans | -61.4 | 150.4 | 176.7 | 26.9 | -34 | 0 | 0 | 0 | 111.4 | H334 F337 Y372 | H334-P375 WeakPolarHBondContact CD2-CD 3.44Å; H334-P375 WeakPolarHBondContact O-CG 3.4Å; F337-P375 HydrophobicContact CB-CB 4.09Å; F337-P375 HydrophobicContact CB-CG 4Å; F337-P375 WeakPolarHBondContact CB-O 3.46Å; F337-P375 WeakPolarHBondContact CD2-O 3.46Å; Y372-P375 VanDerWaalsContact CE1-O 3.29Å; Y372-P375 WeakPolarHBondContact CE1-O 3.35Å; Y372-P375 PolarHBondContact OH-O 3.35Å | ||
| 376 | R | 92.9 | Very high | 86.1 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | trans | -124.5 | 160 | -178.2 | -64 | -64.3 | -62.4 | -77.4 | -4.3 | 110.3 | D362 E366 P378 | D362-R376 PolarHBondContact O-NH2 3.11Å; D362-R376 IonicContact OD1-CZ 3.03Å; D362-R376 IonicContact OD1-NE 3.8Å; D362-R376 PolarHBondContact OD1-NE 3.48Å; D362-R376 IonicContact OD1-NH2 3.62Å; D362-R376 PolarHBondContact OD1-NH2 3.44Å; D362-R376 IonicContact OD2-NH2 3.35Å; E366-R376 IonicContact OE2-CZ 3.27Å; E366-R376 IonicContact OE2-NH1 2.92Å; E366-R376 PolarHBondContact OE2-NH1 2.77Å; E366-R376 IonicContact OE2-NH2 2.71Å; E366-R376 PolarHBondContact OE2-NH2 2.91Å; R376-P378 WeakPolarHBondContact O-CD 3.45Å | ||
| 377 | L | 92 | Very high | 84.5 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | trans | -66.9 | 125.9 | 178.4 | -169.4 | 66.1 | 0 | 0 | 0 | 110.3 | F337 I342 L358 D362 Q381 Q382 R457 | F337-L377 HydrophobicContact CD1-CB 4.16Å; F337-L377 HydrophobicContact CE1-CB 4.05Å; I342-L377 HydrophobicContact CD1-CD1 3.98Å; L358-L377 HydrophobicContact CB-CD1 4.18Å; L358-L377 HydrophobicContact CB-CD2 4.08Å; L358-L377 HydrophobicContact CD1-CD1 4.4Å; D362-L377 HydrophobicContact CB-CB 3.85Å; D362-L377 PolarHBondContact OD1-N 3Å; L377-Q381 HydrophobicContact CD1-CB 3.95Å; L377-Q381 HydrophobicContact CG-CB 4.2Å; L377-Q382 HydrophobicContact CD2-CG 3.86Å; L377-Q382 HydrophobicContact CG-CG 4.2Å; L377-R457 PolarHBondContact O-NH2 3.08Å | ||
| 378 | P | 89.1 | Confident | 83 | Confident | 59 Ų | 59 | 75 Ų | 75 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | trans | -59.2 | 139.8 | 173.4 | -25.7 | 35 | 0 | 0 | 0 | 111.6 | R376 R380 Q381 Q382 | R376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-R380 PolarHBondContact O-N 3.48Å; P378-R380 VanDerWaalsContact O-N 3.1Å; P378-Q381 PolarHBondContact O-N 3.12Å; P378-Q382 PolarHBondContact O-N 3.22Å | ||
| 379 | R | 84.7 | Confident | 81.3 | Confident | 184 Ų | 184 | 75.3 Ų | 75.3 | 69% | 0.694 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -34.9 | -178.7 | -74.6 | -171.2 | 176.6 | 172.8 | -0.4 | 113.4 | Q381 Q382 | R379-Q381 PolarHBondContact O-N 3.49Å; R379-Q382 PolarHBondContact O-N 3.2Å |
| 380 | R | 85.4 | Confident | 79.7 | Confident | 244 Ų | 244 | 74.8 Ų | 74.8 | 92% | 0.921 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.1 | 177.4 | -62.6 | -178 | -178.5 | 179.2 | 0.1 | 113.5 | P378 | P378-R380 PolarHBondContact O-N 3.48Å; P378-R380 VanDerWaalsContact O-N 3.1Å |
| 381 | Q | 83.8 | Confident | 78.1 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -18.5 | -177.6 | -67.4 | 175.8 | -7.3 | 0 | 0 | 113.4 | R355 L377 P378 R379 | R355-Q381 PolarHBondContact NE-O 3.2Å; R355-Q381 VanDerWaalsContact NE-O 3.13Å; R355-Q381 PolarHBondContact NH2-O 2.6Å; L377-Q381 HydrophobicContact CD1-CB 3.95Å; L377-Q381 HydrophobicContact CG-CB 4.2Å; P378-Q381 PolarHBondContact O-N 3.12Å; R379-Q381 PolarHBondContact O-N 3.49Å |
| 382 | Q | 83.7 | Confident | 76.5 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 36% | 0.36 | 33% | 0.331 | S | S | . | . | trans | -56.2 | 138.1 | 173.5 | -72.2 | 176.5 | -18.6 | 0 | 0 | 110 | D362 L377 P378 R379 | D362-Q382 PolarHBondContact OD2-NE2 3.19Å; L377-Q382 HydrophobicContact CD2-CG 3.86Å; L377-Q382 HydrophobicContact CG-CG 4.2Å; P378-Q382 PolarHBondContact O-N 3.22Å; R379-Q382 PolarHBondContact O-N 3.2Å | ||
| 383 | V | 81.8 | Confident | 74.9 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | trans | -132.5 | 153.7 | 175.9 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | R355 R356 S359 I385 | R355-V383 HydrophobicContact CB-CG2 4.26Å; R356-V383 HydrophobicContact CB-CG2 4.28Å; R356-V383 HydrophobicContact CG-CG2 3.64Å; S359-V383 WeakPolarHBondContact CB-O 3.42Å; S359-V383 PolarHBondContact OG-N 3.49Å; V383-I385 PolarHBondContact O-N 2.84Å | ||
| 384 | P | 74.1 | Confident | 73.6 | Confident | 83 Ų | 83 | 64.1 Ų | 64.1 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | trans | -53.8 | 125.9 | 168.1 | -23.8 | 33.5 | 0 | 0 | 0 | 110 | ||||
| 385 | I | 73.5 | Confident | 72.1 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -69.6 | -46.4 | -172.8 | -59.8 | 162.3 | 0 | 0 | 0 | 110.2 | L360 V383 P426 | L360-I385 HydrophobicContact CB-CD1 3.91Å; L360-I385 HydrophobicContact CB-CG1 4.11Å; L360-I385 HydrophobicContact CB-CG2 3.77Å; L360-I385 HydrophobicContact CD1-CD1 3.89Å; L360-I385 HydrophobicContact CD1-CG2 4.32Å; L360-I385 HydrophobicContact CD2-CG2 3.91Å; L360-I385 HydrophobicContact CG-CD1 4.46Å; L360-I385 HydrophobicContact CG-CG2 4.21Å; V383-I385 PolarHBondContact O-N 2.84Å; I385-P426 HydrophobicContact CD1-CB 3.77Å; I385-P426 HydrophobicContact CD1-CG 3.66Å; I385-P426 PolarHBondContact N-O 2.68Å |
| 386 | F | 69.6 | Low | 70.8 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | trans | -125.7 | 88 | 177.1 | -48.1 | -77.8 | 0 | 0 | 0 | 109.4 | L360 Q388 L390 G427 Y428 | L360-F386 HydrophobicContact CD2-CZ 4.12Å; F386-Q388 PolarHBondContact O-N 3.35Å; F386-Q388 VanDerWaalsContact O-N 3.14Å; F386-L390 HydrophobicContact CD1-CD2 3.73Å; F386-L390 HydrophobicContact CE1-CD2 3.84Å; F386-G427 WeakPolarHBondContact CB-O 3.46Å; F386-G427 WeakPolarHBondContact CD2-O 3.44Å; F386-Y428 HydrophobicContact CD2-CD1 4.25Å; F386-Y428 HydrophobicContact CD2-CE1 4.35Å; F386-Y428 HydrophobicContact CE2-CD1 4.07Å; F386-Y428 AromaticContact CE2-CE1 3.73Å; F386-Y428 HydrophobicContact CE2-CE1 3.73Å | ||
| 387 | P | 56 | Low | 69.5 | Low | 73 Ų | 73 | 69.3 Ų | 69.3 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -67.4 | -12.7 | 178.7 | 27.6 | -34.9 | 0 | 0 | 0 | 112.9 | ||
| 388 | Q | 58.9 | Low | 68.5 | Low | 110 Ų | 110 | 75.3 Ų | 75.3 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -142.6 | 155 | -179.2 | -68.3 | -175.9 | -1 | 0 | 0 | 109.4 | F386 | F386-Q388 PolarHBondContact O-N 3.35Å; F386-Q388 VanDerWaalsContact O-N 3.14Å |
| 389 | P | 55.7 | Low | 67.8 | Low | 43 Ų | 43 | 76.5 Ų | 76.5 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | trans | -51.4 | 143.8 | 170.4 | -25 | 33.1 | 0 | 0 | 0 | 111.3 | I391 | P389-I391 PolarHBondContact O-N 3.09Š| ||
| 390 | L | 57.2 | Low | 67.8 | Low | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | trans | -53.7 | 136.4 | 177.4 | -65.3 | 175.7 | 0 | 0 | 0 | 109.7 | L39 F386 T392 D393 R394 | L39-L390 HydrophobicContact CB-CD2 4.22Å; L39-L390 HydrophobicContact CD2-CD1 4.48Å; L39-L390 HydrophobicContact CD2-CD2 4.38Å; F386-L390 HydrophobicContact CD1-CD2 3.73Å; F386-L390 HydrophobicContact CE1-CD2 3.84Å; L390-T392 PolarHBondContact O-N 2.95Å; L390-T392 VanDerWaalsContact O-N 3.09Å; L390-D393 WeakPolarHBondContact O-CB 3.12Å; L390-D393 PolarHBondContact O-N 2.9Å; L390-R394 PolarHBondContact O-N 3.36Å | ||
| 391 | I | 50.4 | Low | 68.1 | Low | 32 Ų | 32 | 59 Ų | 59 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -29.1 | -174.1 | -59.6 | -167.3 | 0 | 0 | 0 | 111.5 | L40 A42 Q43 P389 D393 R394 A395 | L40-I391 HydrophobicContact CB-CD1 4.13Å; L40-I391 HydrophobicContact CD2-CD1 4.39Å; L40-I391 HydrophobicContact CD2-CG1 4.14Å; L40-I391 WeakPolarHBondContact O-CD1 3.22Å; A42-I391 HydrophobicContact CB-CG2 3.94Å; Q43-I391 HydrophobicContact CG-CD1 4.31Å; P389-I391 PolarHBondContact O-N 3.09Å; I391-D393 PolarHBondContact O-N 3.16Å; I391-R394 PolarHBondContact O-N 3.45Å; I391-R394 VanDerWaalsContact O-N 3.17Å; I391-A395 WeakPolarHBondContact O-CB 3.45Å; I391-A395 PolarHBondContact O-N 2.97Å |
| 392 | T | 52.7 | Low | 68.4 | Low | 45 Ų | 45 | 58 Ų | 58 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -36.6 | 173.4 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | L390 R396 | L390-T392 PolarHBondContact O-N 2.95Å; L390-T392 VanDerWaalsContact O-N 3.09Å; T392-R396 WeakPolarHBondContact O-CB 3.23Å; T392-R396 WeakPolarHBondContact O-CG 2.99Å; T392-R396 PolarHBondContact O-N 3.36Å; T392-R396 VanDerWaalsContact O-N 3.14Å |
| 393 | D | 57.8 | Low | 68.7 | Low | 33 Ų | 33 | 60 Ų | 60 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.9 | -40.1 | 176.3 | -67.5 | -23.7 | 0 | 0 | 0 | 110.2 | L390 I391 A395 R396 C397 W485 H486 R498 | L390-D393 WeakPolarHBondContact O-CB 3.12Å; L390-D393 PolarHBondContact O-N 2.9Å; I391-D393 PolarHBondContact O-N 3.16Å; D393-A395 VanDerWaalsContact C-N 3.35Å; D393-A395 PolarHBondContact O-N 3.27Å; D393-R396 CarbonylContact O-C 3.5Å; D393-R396 PolarHBondContact O-N 3.29Å; D393-C397 WeakPolarHBondContact O-CA 3.17Å; D393-C397 WeakPolarHBondContact O-CB 3.22Å; D393-C397 PolarHBondContact O-N 2.69Å; D393-W485 PolarHBondContact OD1-NE1 3.42Å; D393-H486 IonicContact OD1-CD2 3.27Å; D393-H486 IonicContact OD1-NE2 2.78Å; D393-H486 PolarHBondContact OD1-NE2 3.02Å; D393-R498 IonicContact OD1-CZ 2.8Å; D393-R498 IonicContact OD1-NH1 3Å; D393-R498 IonicContact OD1-NH2 2.61Å; D393-R498 PolarHBondContact OD1-NH2 2.91Å; D393-R498 IonicContact OD2-CZ 3.41Å; D393-R498 VanDerWaalsContact OD2-CZ 3.27Å; D393-R498 IonicContact OD2-NH1 3.68Å; D393-R498 PolarHBondContact OD2-NH1 3.19Å; D393-R498 IonicContact OD2-NH2 3.15Å; D393-R498 PolarHBondContact OD2-NH2 3.18Å |
| 394 | R | 62.4 | Low | 69.2 | Low | 118 Ų | 118 | 62.3 Ų | 62.3 | 45% | 0.445 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 172.9 | -70.1 | -176.3 | 169.8 | 171.8 | -3.3 | 113 | L390 I391 R396 C397 | L390-R394 PolarHBondContact O-N 3.36Å; I391-R394 PolarHBondContact O-N 3.45Å; I391-R394 VanDerWaalsContact O-N 3.17Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 2.94Å; R394-C397 PolarHBondContact O-SG 3.19Å |
| 395 | A | 58.1 | Low | 70.2 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.6 | -23.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | I391 D393 | I391-A395 WeakPolarHBondContact O-CB 3.45Å; I391-A395 PolarHBondContact O-N 2.97Å; D393-A395 VanDerWaalsContact C-N 3.35Å; D393-A395 PolarHBondContact O-N 3.27Å |
| 396 | R | 66.8 | Low | 71.2 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 36% | 0.362 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -109.7 | 4.5 | -178.5 | -63.4 | -177.2 | -176.3 | -132.2 | 3.9 | 113.4 | T392 D393 R394 K398 Y399 W485 | T392-R396 WeakPolarHBondContact O-CB 3.23Å; T392-R396 WeakPolarHBondContact O-CG 2.99Å; T392-R396 PolarHBondContact O-N 3.36Å; T392-R396 VanDerWaalsContact O-N 3.14Å; D393-R396 CarbonylContact O-C 3.5Å; D393-R396 PolarHBondContact O-N 3.29Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 2.94Å; R396-K398 PolarHBondContact O-N 2.66Å; R396-K398 VanDerWaalsContact O-N 3.13Å; R396-Y399 HydrophobicContact CB-CD2 4.28Å; R396-Y399 PolarHBondContact O-N 2.86Å; R396-W485 HydrophobicContact CB-CD2 3.9Å; R396-W485 HydrophobicContact CB-CE3 4.2Å; R396-W485 HydrophobicContact CB-CG 4.44Å; R396-W485 HydrophobicContact CB-CH2 4.06Å; R396-W485 HydrophobicContact CB-CZ2 3.79Å; R396-W485 HydrophobicContact CB-CZ3 4.28Å; R396-W485 VanDerWaalsContact CD-CB 3.49Å; R396-W485 VanDerWaalsContact CD-CD2 3.49Å; R396-W485 HydrophobicContact CG-CD2 4.35Å; R396-W485 HydrophobicContact CG-CG 4.46Å; R396-W485 WeakPolarHBondContact O-CH2 3.21Å |
| 397 | C | 66.7 | Low | 72.3 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 49% | 0.493 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -56.7 | -34.4 | -176.9 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | D393 R394 Y399 S400 | D393-C397 WeakPolarHBondContact O-CA 3.17Å; D393-C397 WeakPolarHBondContact O-CB 3.22Å; D393-C397 PolarHBondContact O-N 2.69Å; R394-C397 PolarHBondContact O-SG 3.19Å; C397-Y399 PolarHBondContact O-N 2.7Å; C397-Y399 VanDerWaalsContact O-N 3.08Å; C397-S400 WeakPolarHBondContact O-CB 3.14Å; C397-S400 PolarHBondContact O-N 3.07Å |
| 398 | K | 70.3 | Confident | 74.2 | Confident | 126 Ų | 126 | 56.2 Ų | 56.2 | 55% | 0.548 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -60.8 | -16.2 | 175.2 | 66.6 | 179.1 | 173.1 | -175.3 | 0 | 115.3 | P57 R396 | P57-K398 HydrophobicContact CB-CD 4.38Å; P57-K398 HydrophobicContact CG-CD 4.18Å; P57-K398 VanDerWaalsContact CG-NZ 3.34Å; R396-K398 PolarHBondContact O-N 2.66Å; R396-K398 VanDerWaalsContact O-N 3.13Å |
| 399 | Y | 74.9 | Confident | 75.9 | Confident | 84 Ų | 84 | 51 Ų | 51 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -108.7 | 4.6 | 175.7 | -52 | -80.8 | 0 | 0 | 0 | 112.1 | L53 P57 R396 C397 | L53-Y399 VanDerWaalsContact CD2-OH 3.24Å; L53-Y399 WeakPolarHBondContact CD2-OH 3.45Å; P57-Y399 HydrophobicContact CB-CD1 4.32Å; P57-Y399 HydrophobicContact CB-CE1 3.34Å; P57-Y399 WeakPolarHBondContact CB-OH 3.25Å; P57-Y399 WeakPolarHBondContact CD-OH 3.3Å; P57-Y399 HydrophobicContact CG-CE1 3.96Å; P57-Y399 WeakPolarHBondContact CG-OH 3.25Å; R396-Y399 HydrophobicContact CB-CD2 4.28Å; R396-Y399 PolarHBondContact O-N 2.86Å; C397-Y399 PolarHBondContact O-N 2.7Å; C397-Y399 VanDerWaalsContact O-N 3.08Å |
| 400 | S | 84.5 | Confident | 77.8 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | trans | -78.1 | 139.7 | -176.3 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | C397 K402 E483 | C397-S400 WeakPolarHBondContact O-CB 3.14Å; C397-S400 PolarHBondContact O-N 3.07Å; S400-K402 PolarHBondContact O-N 3.41Å; S400-K402 VanDerWaalsContact OG-CB 3.29Å; S400-K402 WeakPolarHBondContact OG-CB 3.27Å; S400-K402 PolarHBondContact OG-N 3.42Å; S400-E483 VanDerWaalsContact CA-OE1 3.22Å; S400-E483 WeakPolarHBondContact CA-OE1 3.32Å; S400-E483 WeakPolarHBondContact CB-OE1 3.49Å; S400-E483 PolarHBondContact OG-OE1 3.41Å | ||
| 401 | H | 90.7 | Very high | 79.5 | Confident | 33 Ų | 33 | 55 Ų | 55 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 1.4 | 169.9 | -61 | 93.1 | 0 | 0 | 0 | 111.7 | D403 I404 V405 E483 L520 E521 | H401-D403 PolarHBondContact O-N 3.27Å; H401-I404 HydrophobicContact CB-CG2 4.29Å; H401-I404 VanDerWaalsContact O-CG2 3.23Å; H401-I404 WeakPolarHBondContact O-CG2 3.37Å; H401-I404 PolarHBondContact O-N 2.88Å; H401-V405 HydrophobicContact CB-CG2 4.46Å; H401-V405 WeakPolarHBondContact O-CB 3.48Å; H401-V405 VanDerWaalsContact O-CG2 3.24Å; H401-V405 WeakPolarHBondContact O-CG2 3.23Å; H401-V405 PolarHBondContact O-N 3.33Å; H401-E483 IonicContact CE1-OE2 3.19Å; H401-E483 IonicContact CG-OE2 3.06Å; H401-E483 PolarHBondContact N-OE1 3.07Å; H401-E483 IonicContact ND1-OE1 2.78Å; H401-E483 IonicContact ND1-OE2 2.58Å; H401-E483 PolarHBondContact ND1-OE2 3.08Å; H401-L520 HydrophobicContact CB-CB 4.38Å; H401-L520 HydrophobicContact CB-CD1 3.68Å; H401-E521 IonicContact CE1-OE1 3.46Å; H401-E521 WeakPolarHBondContact NE2-CG 3.34Å |
| 402 | K | 90.3 | Very high | 81.5 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | -176.9 | -166.5 | 171.9 | -157.3 | 159.5 | 0 | 113.4 | S400 I404 V405 A406 D421 F432 L481 | S400-K402 PolarHBondContact O-N 3.41Å; S400-K402 VanDerWaalsContact OG-CB 3.29Å; S400-K402 WeakPolarHBondContact OG-CB 3.27Å; S400-K402 PolarHBondContact OG-N 3.42Å; K402-I404 PolarHBondContact O-N 2.92Å; K402-V405 PolarHBondContact O-N 2.93Å; K402-A406 VanDerWaalsContact O-CB 3.25Å; K402-A406 WeakPolarHBondContact O-CB 3.43Å; K402-A406 PolarHBondContact O-N 2.8Å; K402-D421 WeakPolarHBondContact CE-OD2 3.45Å; K402-D421 IonicContact NZ-OD1 3.2Å; K402-D421 PolarHBondContact NZ-OD1 2.61Å; K402-D421 IonicContact NZ-OD2 3.98Å; K402-D421 PolarHBondContact NZ-OD2 3Å; K402-F432 HydrophobicContact CG-CE2 4.16Å; K402-F432 HydrophobicContact CG-CZ 3.68Å; K402-F432 WeakPolarHBondContact O-CZ 3.24Å; K402-L481 HydrophobicContact CB-CD1 3.63Å; K402-L481 HydrophobicContact CD-CD1 4.45Å; K402-L481 HydrophobicContact CG-CD1 3.85Å |
| 403 | D | 90.3 | Very high | 83.5 | Confident | 119 Ų | 119 | 51.8 Ų | 51.8 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | -176.1 | -63.8 | -21 | 0 | 0 | 0 | 111.5 | H401 A406 E407 | H401-D403 PolarHBondContact O-N 3.27Å; D403-A406 PolarHBondContact O-N 3.38Å; D403-E407 WeakPolarHBondContact O-CB 3.25Å; D403-E407 PolarHBondContact O-N 3.3Å |
| 404 | I | 91.7 | Very high | 85.1 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 38% | 0.379 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.3 | -35.2 | 178.2 | -160.3 | -179.3 | 0 | 0 | 0 | 111.8 | H401 K402 G408 L526 L529 | H401-I404 HydrophobicContact CB-CG2 4.29Å; H401-I404 VanDerWaalsContact O-CG2 3.23Å; H401-I404 WeakPolarHBondContact O-CG2 3.37Å; H401-I404 PolarHBondContact O-N 2.88Å; K402-I404 PolarHBondContact O-N 2.92Å; I404-G408 PolarHBondContact O-N 3.43Å; I404-L526 HydrophobicContact CG1-CD1 4.33Å; I404-L529 HydrophobicContact CB-CD2 4.13Å; I404-L529 HydrophobicContact CD1-CD2 4.03Å; I404-L529 HydrophobicContact CG1-CD2 3.6Å; I404-L529 HydrophobicContact CG2-CD2 3.9Å; I404-L529 VanDerWaalsContact O-CD2 3.26Å; I404-L529 WeakPolarHBondContact O-CD2 3.03Å |
| 405 | V | 95.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 174 | 172 | 0 | 0 | 0 | 0 | 111.2 | H401 K402 E407 G408 L409 F432 L481 L515 L520 L529 L533 | H401-V405 HydrophobicContact CB-CG2 4.46Å; H401-V405 WeakPolarHBondContact O-CB 3.48Å; H401-V405 VanDerWaalsContact O-CG2 3.24Å; H401-V405 WeakPolarHBondContact O-CG2 3.23Å; H401-V405 PolarHBondContact O-N 3.33Å; K402-V405 PolarHBondContact O-N 2.93Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.13Å; V405-G408 PolarHBondContact O-N 3.49Å; V405-L409 HydrophobicContact CG1-CD1 4.04Å; V405-L409 HydrophobicContact CG1-CG 4.3Å; V405-L409 WeakPolarHBondContact O-CB 3.39Å; V405-L409 WeakPolarHBondContact O-CG 3.49Å; V405-L409 PolarHBondContact O-N 3.4Å; V405-F432 HydrophobicContact CB-CE2 4.04Å; V405-F432 HydrophobicContact CB-CZ 4.23Å; V405-F432 HydrophobicContact CG1-CD2 4.08Å; V405-F432 HydrophobicContact CG1-CE2 3.47Å; V405-F432 VanDerWaalsContact CG1-CE2 3.47Å; V405-F432 HydrophobicContact CG1-CZ 3.95Å; V405-L481 HydrophobicContact CB-CD2 4.36Å; V405-L481 HydrophobicContact CG1-CD2 4.38Å; V405-L481 HydrophobicContact CG2-CD2 3.99Å; V405-L515 HydrophobicContact CG1-CD1 4.03Å; V405-L520 HydrophobicContact CG2-CD1 4.45Å; V405-L520 HydrophobicContact CG2-CD2 3.79Å; V405-L529 HydrophobicContact CG2-CD1 4.4Å; V405-L529 HydrophobicContact CG2-CD2 4.33Å; V405-L533 HydrophobicContact CG1-CD1 4.38Å; V405-L533 HydrophobicContact CG1-CD2 4.26Å |
| 406 | A | 93.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K402 D403 L409 R410 Y418 F432 | K402-A406 VanDerWaalsContact O-CB 3.25Å; K402-A406 WeakPolarHBondContact O-CB 3.43Å; K402-A406 PolarHBondContact O-N 2.8Å; D403-A406 PolarHBondContact O-N 3.38Å; A406-L409 PolarHBondContact O-N 2.77Å; A406-R410 WeakPolarHBondContact O-CB 3.26Å; A406-R410 PolarHBondContact O-N 3.33Å; A406-Y418 PolarHBondContact O-OH 3.33Å; A406-F432 HydrophobicContact CB-CE1 3.65Å; A406-F432 HydrophobicContact CB-CZ 3.85Å |
| 407 | E | 93.9 | Very high | 89.1 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.9 | -179.7 | 56.8 | -160 | 0 | 0 | 112.2 | D403 V405 L409 R410 Q411 L526 | D403-E407 WeakPolarHBondContact O-CB 3.25Å; D403-E407 PolarHBondContact O-N 3.3Å; V405-E407 VanDerWaalsContact C-N 3.32Å; V405-E407 PolarHBondContact O-N 3.13Å; E407-L409 PolarHBondContact O-N 3.35Å; E407-R410 VanDerWaalsContact CD-NH2 3.26Å; E407-R410 PolarHBondContact O-N 2.58Å; E407-R410 IonicContact OE1-CZ 2.82Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 IonicContact OE1-NH2 3.62Å; E407-R410 PolarHBondContact OE1-NH2 3.13Å; E407-R410 IonicContact OE2-CZ 3.85Å; E407-R410 IonicContact OE2-NE 3.93Å; E407-R410 PolarHBondContact OE2-NE 3.33Å; E407-R410 IonicContact OE2-NH2 2.73Å; E407-R410 PolarHBondContact OE2-NH2 2.87Å; E407-Q411 PolarHBondContact O-N 3.08Å; E407-Q411 PolarHBondContact OE1-NE2 2.94Å; E407-L526 HydrophobicContact CB-CD1 4.36Å; E407-L526 HydrophobicContact CG-CD1 3.99Å; E407-L526 HydrophobicContact CG-CD2 3.76Å |
| 408 | G | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I404 V405 L412 | I404-G408 PolarHBondContact O-N 3.43Å; V405-G408 PolarHBondContact O-N 3.49Å; G408-L412 WeakPolarHBondContact O-CB 3.46Å; G408-L412 PolarHBondContact O-N 2.98Å; G408-L412 VanDerWaalsContact O-N 3.14Å |
| 409 | L | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.4 | -41.2 | 175.5 | -71.4 | 172.9 | 0 | 0 | 0 | 111.8 | V405 A406 E407 Q411 L412 L413 Y418 F432 L479 L533 L537 | V405-L409 HydrophobicContact CG1-CD1 4.04Å; V405-L409 HydrophobicContact CG1-CG 4.3Å; V405-L409 WeakPolarHBondContact O-CB 3.39Å; V405-L409 WeakPolarHBondContact O-CG 3.49Å; V405-L409 PolarHBondContact O-N 3.4Å; A406-L409 PolarHBondContact O-N 2.77Å; E407-L409 PolarHBondContact O-N 3.35Å; L409-Q411 PolarHBondContact O-N 3.49Å; L409-L412 PolarHBondContact O-N 2.78Å; L409-L412 VanDerWaalsContact O-N 3.15Å; L409-L413 HydrophobicContact CD2-CD1 3.99Å; L409-L413 WeakPolarHBondContact O-CB 3.36Å; L409-L413 PolarHBondContact O-N 2.78Å; L409-Y418 HydrophobicContact CB-CD1 4.19Å; L409-Y418 HydrophobicContact CB-CE1 3.93Å; L409-F432 HydrophobicContact CD1-CB 4Å; L409-F432 HydrophobicContact CD1-CD1 3.72Å; L409-F432 HydrophobicContact CD1-CD2 4Å; L409-F432 HydrophobicContact CD1-CE1 4.16Å; L409-F432 HydrophobicContact CD1-CE2 4.41Å; L409-F432 HydrophobicContact CD1-CG 3.63Å; L409-F432 HydrophobicContact CD1-CZ 4.48Å; L409-L479 HydrophobicContact CD1-CD2 3.88Å; L409-L479 HydrophobicContact CD2-CD2 3.83Å; L409-L479 HydrophobicContact CG-CD2 4.41Å; L409-L533 HydrophobicContact CD2-CD1 4.23Å; L409-L533 HydrophobicContact CG-CD1 4.19Å; L409-L537 HydrophobicContact CD2-CD1 4.26Å |
| 410 | R | 94.6 | Very high | 92.2 | Very high | 91 Ų | 91 | 47 Ų | 47 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 176.7 | -170.9 | -177.4 | 71.2 | 81.2 | 1.4 | 111.2 | A406 E407 L412 G414 E415 | A406-R410 WeakPolarHBondContact O-CB 3.26Å; A406-R410 PolarHBondContact O-N 3.33Å; E407-R410 VanDerWaalsContact CD-NH2 3.26Å; E407-R410 PolarHBondContact O-N 2.58Å; E407-R410 IonicContact OE1-CZ 2.82Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 IonicContact OE1-NH2 3.62Å; E407-R410 PolarHBondContact OE1-NH2 3.13Å; E407-R410 IonicContact OE2-CZ 3.85Å; E407-R410 IonicContact OE2-NE 3.93Å; E407-R410 PolarHBondContact OE2-NE 3.33Å; E407-R410 IonicContact OE2-NH2 2.73Å; E407-R410 PolarHBondContact OE2-NH2 2.87Å; R410-L412 VanDerWaalsContact C-N 3.29Å; R410-L412 PolarHBondContact O-N 2.69Å; R410-G414 VanDerWaalsContact O-CA 3.3Å; R410-G414 WeakPolarHBondContact O-CA 3.24Å; R410-G414 PolarHBondContact O-N 3.14Å; R410-E415 HydrophobicContact CG-CB 4.35Å |
| 411 | Q | 93.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.2 | -19.9 | 177.1 | -66.9 | -169.5 | 10.9 | 0 | 0 | 114.2 | E407 L409 K530 | E407-Q411 PolarHBondContact O-N 3.08Å; E407-Q411 PolarHBondContact OE1-NE2 2.94Å; L409-Q411 PolarHBondContact O-N 3.49Å; Q411-K530 HydrophobicContact CB-CD 4.19Å |
| 412 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -90.4 | -44.1 | -178.4 | -174.2 | 62.6 | 0 | 0 | 0 | 112.3 | G408 L409 R410 K530 L533 R534 L537 W544 | G408-L412 WeakPolarHBondContact O-CB 3.46Å; G408-L412 PolarHBondContact O-N 2.98Å; G408-L412 VanDerWaalsContact O-N 3.14Å; L409-L412 PolarHBondContact O-N 2.78Å; L409-L412 VanDerWaalsContact O-N 3.15Å; R410-L412 VanDerWaalsContact C-N 3.29Å; R410-L412 PolarHBondContact O-N 2.69Å; L412-K530 HydrophobicContact CB-CD 4.4Å; L412-K530 HydrophobicContact CB-CG 4.15Å; L412-K530 HydrophobicContact CD1-CD 4.3Å; L412-K530 HydrophobicContact CD1-CG 3.94Å; L412-L533 HydrophobicContact CD2-CB 4.13Å; L412-R534 HydrophobicContact CD1-CB 4.18Å; L412-R534 VanDerWaalsContact CD1-NH2 3.27Å; L412-R534 HydrophobicContact CD2-CB 4.11Å; L412-L537 HydrophobicContact CD2-CD1 3.84Å; L412-W544 HydrophobicContact CD1-CZ2 3.81Å; L412-W544 HydrophobicContact CD2-CH2 4.42Å; L412-W544 HydrophobicContact CD2-CZ2 3.86Å; L412-W544 HydrophobicContact CG-CZ2 3.89Å; L412-W544 PolarHBondContact O-NE1 3.11Å |
| 413 | L | 93.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -114.7 | -26.9 | -168.2 | -54.6 | 178.8 | 0 | 0 | 0 | 113.2 | L409 K417 L434 L537 W544 | L409-L413 HydrophobicContact CD2-CD1 3.99Å; L409-L413 WeakPolarHBondContact O-CB 3.36Å; L409-L413 PolarHBondContact O-N 2.78Å; L413-K417 HydrophobicContact CB-CB 3.85Å; L413-K417 HydrophobicContact CB-CG 4.14Å; L413-K417 WeakPolarHBondContact O-CG 3.36Å; L413-L434 HydrophobicContact CD1-CD2 3.44Å; L413-L434 VanDerWaalsContact CD1-CD2 3.44Å; L413-L537 HydrophobicContact CD1-CD1 4.07Å; L413-L537 HydrophobicContact CD2-CD1 4.2Å; L413-L537 HydrophobicContact CG-CD1 4.47Å; L413-W544 HydrophobicContact CD2-CB 3.87Å; L413-W544 HydrophobicContact CD2-CD2 3.45Å; L413-W544 VanDerWaalsContact CD2-CD2 3.45Å; L413-W544 HydrophobicContact CD2-CE3 3.89Å; L413-W544 HydrophobicContact CD2-CG 3.45Å; L413-W544 VanDerWaalsContact CD2-CG 3.45Å |
| 414 | G | 91.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | trans | 92.1 | 148.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R410 E416 K417 | R410-G414 VanDerWaalsContact O-CA 3.3Å; R410-G414 WeakPolarHBondContact O-CA 3.24Å; R410-G414 PolarHBondContact O-N 3.14Å; G414-E416 WeakPolarHBondContact CA-OE2 3.5Å; G414-E416 PolarHBondContact O-N 3.35Å; G414-K417 PolarHBondContact O-N 3.34Å | ||
| 415 | E | 89.8 | Confident | 91 | Very high | 143 Ų | 143 | 44 Ų | 44 | 67% | 0.668 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -64.8 | -25.3 | -177.4 | -167.7 | -177.7 | 168.5 | 0 | 0 | 112.6 | R410 K417 | R410-E415 HydrophobicContact CG-CB 4.35Å; E415-K417 VanDerWaalsContact C-N 3.27Å; E415-K417 PolarHBondContact O-N 3.03Å |
| 416 | E | 90.6 | Very high | 90 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -76.6 | -11.9 | -179.1 | 78.5 | -68.7 | 169.6 | 0 | 0 | 114 | G414 P444 V445 | G414-E416 WeakPolarHBondContact CA-OE2 3.5Å; G414-E416 PolarHBondContact O-N 3.35Å; E416-P444 HydrophobicContact CG-CB 4.34Å; E416-P444 CarbonylContact O-C 3.59Å; E416-P444 WeakPolarHBondContact O-CA 3.47Å; E416-V445 PolarHBondContact O-N 3.2Å |
| 417 | K | 91.9 | Very high | 89.3 | Confident | 37 Ų | 37 | 45 Ų | 45 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -91.7 | -7.9 | -175 | -63.8 | -57.7 | -169.6 | 161.6 | 0 | 114.8 | L413 G414 E415 V442 P444 V445 | L413-K417 HydrophobicContact CB-CB 3.85Å; L413-K417 HydrophobicContact CB-CG 4.14Å; L413-K417 WeakPolarHBondContact O-CG 3.36Å; G414-K417 PolarHBondContact O-N 3.34Å; E415-K417 VanDerWaalsContact C-N 3.27Å; E415-K417 PolarHBondContact O-N 3.03Å; K417-V442 HydrophobicContact CB-CG1 3.95Å; K417-V442 HydrophobicContact CD-CG1 4.24Å; K417-V442 HydrophobicContact CG-CG1 4.37Å; K417-V442 PolarHBondContact NZ-O 2.97Å; K417-P444 HydrophobicContact CD-CG 4.38Å; K417-V445 VanDerWaalsContact C-CG2 3.43Å; K417-V445 WeakPolarHBondContact O-CG2 3.42Å |
| 418 | Y | 93.5 | Very high | 88.9 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 162.3 | 177.8 | 71.2 | -86.6 | 0 | 0 | 0 | 112.7 | A406 L409 Q420 F432 L433 | A406-Y418 PolarHBondContact O-OH 3.33Å; L409-Y418 HydrophobicContact CB-CD1 4.19Å; L409-Y418 HydrophobicContact CB-CE1 3.93Å; Y418-Q420 HydrophobicContact CE2-CB 4.33Å; Y418-F432 AromaticContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CE1 4.48Å; Y418-F432 AromaticContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CE1 4.05Å; Y418-L433 CarbonylContact C-O 3.55Å; Y418-L433 VanDerWaalsContact CA-O 3.24Å; Y418-L433 WeakPolarHBondContact CA-O 3.45Å |
| 419 | R | 92.1 | Very high | 88.3 | Confident | 109 Ų | 109 | 43.4 Ų | 43.4 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.9 | 168.8 | -67.4 | -73.3 | -169.3 | -179.3 | 4.2 | 109 | L422 F432 L433 V445 | R419-L422 HydrophobicContact CB-CB 4.38Å; R419-F432 CarbonylContact O-C 3.46Å; R419-F432 VanDerWaalsContact O-CA 3.3Å; R419-F432 WeakPolarHBondContact O-CA 3.36Å; R419-L433 PolarHBondContact N-O 2.77Å; R419-L433 PolarHBondContact O-N 3.04Å; R419-V445 HydrophobicContact CG-CB 3.97Å; R419-V445 HydrophobicContact CG-CG1 3.36Å; R419-V445 HydrophobicContact CG-CG2 4.31Å |
| 420 | Q | 90.1 | Very high | 88 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 143.6 | 174.7 | -176.1 | 176.7 | -29.1 | 0 | 0 | 110.1 | Y418 L422 D431 F432 | Y418-Q420 HydrophobicContact CE2-CB 4.33Å; Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.92Å; Q420-D431 WeakPolarHBondContact CA-O 3.42Å; Q420-F432 HydrophobicContact CB-CD1 4.12Å; Q420-F432 HydrophobicContact CB-CE1 4.21Å; Q420-F432 HydrophobicContact CG-CD1 4.12Å; Q420-F432 HydrophobicContact CG-CE1 3.83Å |
| 421 | D | 86.8 | Confident | 87.9 | Confident | 67 Ų | 67 | 39.6 Ų | 39.6 | 36% | 0.358 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 58.5 | 29.7 | 173.3 | -77.2 | -61.1 | 0 | 0 | 0 | 115.1 | K402 T423 T430 D431 | K402-D421 WeakPolarHBondContact CE-OD2 3.45Å; K402-D421 IonicContact NZ-OD1 3.2Å; K402-D421 PolarHBondContact NZ-OD1 2.61Å; K402-D421 IonicContact NZ-OD2 3.98Å; K402-D421 PolarHBondContact NZ-OD2 3Å; D421-T423 PolarHBondContact O-N 3.24Å; D421-T430 WeakPolarHBondContact CA-O 3.46Å; D421-T430 PolarHBondContact N-O 3.33Å; D421-D431 PolarHBondContact N-O 2.88Å |
| 422 | L | 87.1 | Confident | 87.9 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | trans | -74.3 | 124.5 | -179.5 | -174.2 | 68.6 | 0 | 0 | 0 | 110.4 | R419 Q420 V424 C429 T430 L433 P450 F451 | R419-L422 HydrophobicContact CB-CB 4.38Å; Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.92Å; L422-V424 HydrophobicContact CD2-CG1 4.12Å; L422-V424 HydrophobicContact CG-CG1 4.29Å; L422-V424 PolarHBondContact O-N 3.43Å; L422-C429 CarbonylContact O-C 3.52Å; L422-C429 WeakPolarHBondContact O-CA 3.4Å; L422-T430 PolarHBondContact O-N 2.98Å; L422-T430 PolarHBondContact O-OG1 3.34Å; L422-T430 VanDerWaalsContact O-OG1 3.08Å; L422-L433 HydrophobicContact CD2-CD1 4.17Å; L422-P450 HydrophobicContact CD2-CB 3.6Å; L422-P450 HydrophobicContact CD2-CG 3.73Å; L422-F451 HydrophobicContact CD1-CE1 4.2Å; L422-F451 HydrophobicContact CD1-CZ 4.08Å; L422-F451 HydrophobicContact CD2-CD1 4.48Å; L422-F451 HydrophobicContact CD2-CE1 3.87Å; L422-F451 HydrophobicContact CD2-CZ 4.29Å; L422-F451 HydrophobicContact CG-CE1 4.07Å; L422-F451 HydrophobicContact CG-CZ 4.44Å | ||
| 423 | T | 85.5 | Confident | 88 | Confident | 58 Ų | 58 | 36.8 Ų | 36.8 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 108.8 | 171.8 | -60.8 | 0 | 0 | 0 | 0 | 109.4 | D421 Y428 | D421-T423 PolarHBondContact O-N 3.24Å; T423-Y428 CarbonylContact C-O 3.39Å; T423-Y428 WeakPolarHBondContact CA-O 3.44Å |
| 424 | V | 84 | Confident | 88.1 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 147.6 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | L422 G427 Y428 T430 L433 F451 L505 M508 Y510 | L422-V424 HydrophobicContact CD2-CG1 4.12Å; L422-V424 HydrophobicContact CG-CG1 4.29Å; L422-V424 PolarHBondContact O-N 3.43Å; V424-G427 CarbonylContact O-C 3.54Å; V424-G427 WeakPolarHBondContact O-CA 3.46Å; V424-G427 PolarHBondContact O-N 3.18Å; V424-Y428 WeakPolarHBondContact CG2-O 3.48Å; V424-Y428 PolarHBondContact N-O 2.81Å; V424-Y428 PolarHBondContact O-N 3.4Å; V424-T430 HydrophobicContact CG1-CG2 3.95Å; V424-T430 HydrophobicContact CG2-CG2 4.15Å; V424-L433 HydrophobicContact CG1-CD1 4.31Å; V424-F451 HydrophobicContact CB-CD1 4.29Å; V424-F451 HydrophobicContact CG1-CD1 4.07Å; V424-F451 HydrophobicContact CG1-CE1 4.2Å; V424-L505 HydrophobicContact CG2-CD2 3.6Å; V424-M508 HydrophobicContact CG2-CE 4.34Å; V424-Y510 WeakPolarHBondContact CB-OH 3.27Å; V424-Y510 HydrophobicContact CG1-CE1 4.32Å; V424-Y510 WeakPolarHBondContact CG1-OH 3.35Å; V424-Y510 HydrophobicContact CG2-CE2 4.2Å |
| 425 | P | 78.9 | Confident | 88.1 | Confident | 53 Ų | 53 | 36 Ų | 36 | 34% | 0.344 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 137.3 | 171.9 | -27.6 | 35.4 | 0 | 0 | 0 | 111.3 | Y454 | P425-Y454 HydrophobicContact CB-CD2 3.96Š|
| 426 | P | 75.3 | Confident | 88.2 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.8 | 13.2 | 6 | 26.5 | -12.1 | 0 | 0 | 0 | 113.7 | T363 I385 Y428 Y454 | T363-P426 HydrophobicContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact CG2-CG 3.41Å; T363-P426 VanDerWaalsContact OG1-CG 3.22Å; T363-P426 WeakPolarHBondContact OG1-CG 3.3Å; I385-P426 HydrophobicContact CD1-CB 3.77Å; I385-P426 HydrophobicContact CD1-CG 3.66Å; I385-P426 PolarHBondContact N-O 2.68Å; P426-Y428 HydrophobicContact CG-CE2 4.36Å; P426-Y454 HydrophobicContact CB-CE2 4.15Å; P426-Y454 HydrophobicContact CG-CE2 3.78Å |
| 427 | G | 79.8 | Confident | 88.2 | Confident | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 142.5 | 19.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F386 V424 | F386-G427 WeakPolarHBondContact CB-O 3.46Å; F386-G427 WeakPolarHBondContact CD2-O 3.44Å; V424-G427 CarbonylContact O-C 3.54Å; V424-G427 WeakPolarHBondContact O-CA 3.46Å; V424-G427 PolarHBondContact O-N 3.18Å |
| 428 | Y | 84 | Confident | 87.9 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.2 | 177.1 | -71.1 | -62.4 | 0 | 0 | 0 | 110.6 | L360 F386 T423 V424 P426 R501 H504 M508 | L360-Y428 WeakPolarHBondContact CD1-OH 3.39Å; F386-Y428 HydrophobicContact CD2-CD1 4.25Å; F386-Y428 HydrophobicContact CD2-CE1 4.35Å; F386-Y428 HydrophobicContact CE2-CD1 4.07Å; F386-Y428 AromaticContact CE2-CE1 3.73Å; F386-Y428 HydrophobicContact CE2-CE1 3.73Å; T423-Y428 CarbonylContact C-O 3.39Å; T423-Y428 WeakPolarHBondContact CA-O 3.44Å; V424-Y428 WeakPolarHBondContact CG2-O 3.48Å; V424-Y428 PolarHBondContact N-O 2.81Å; V424-Y428 PolarHBondContact O-N 3.4Å; P426-Y428 HydrophobicContact CG-CE2 4.36Å; Y428-R501 HydrophobicContact CD1-CB 3.85Å; Y428-R501 HydrophobicContact CD1-CG 3.6Å; Y428-R501 HydrophobicContact CE1-CB 3.84Å; Y428-R501 HydrophobicContact CE1-CG 4.12Å; Y428-R501 HydrophobicContact CG-CG 4.18Å; Y428-H504 HydrophobicContact CD2-CB 4.33Å; Y428-H504 HydrophobicContact CE2-CB 3.51Å; Y428-H504 AromaticContact CE2-CG 3.99Å; Y428-H504 AromaticContact CE2-ND1 3.63Å; Y428-H504 AromaticContact CZ-ND1 3.54Å; Y428-H504 PolarHBondContact OH-CE1 3.38Å; Y428-H504 PolarHBondContact OH-ND1 2.92Å; Y428-M508 HydrophobicContact CD2-CE 4.17Å |
| 429 | C | 84.2 | Confident | 87.6 | Confident | 18 Ų | 18 | 30.2 Ų | 30.2 | 12% | 0.122 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.1 | 168.5 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | L422 R501 | L422-C429 CarbonylContact O-C 3.52Å; L422-C429 WeakPolarHBondContact O-CA 3.4Å; C429-R501 PolarHBondContact O-NE 2.87Å; C429-R501 PolarHBondContact O-NH1 2.82Å |
| 430 | T | 88.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -96.4 | 147.1 | 169.4 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | D421 L422 V424 L433 V478 L505 | D421-T430 WeakPolarHBondContact CA-O 3.46Å; D421-T430 PolarHBondContact N-O 3.33Å; L422-T430 PolarHBondContact O-N 2.98Å; L422-T430 PolarHBondContact O-OG1 3.34Å; L422-T430 VanDerWaalsContact O-OG1 3.08Å; V424-T430 HydrophobicContact CG1-CG2 3.95Å; V424-T430 HydrophobicContact CG2-CG2 4.15Å; T430-L433 HydrophobicContact CG2-CD1 4.46Å; T430-V478 HydrophobicContact CG2-CG1 3.98Å; T430-V478 HydrophobicContact CG2-CG2 3.92Å; T430-L505 HydrophobicContact CG2-CD2 4.33Å |
| 431 | D | 91.2 | Very high | 87.6 | Confident | 12 Ų | 12 | 23.5 Ų | 23.5 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -78.7 | -55.5 | -179.3 | -50 | -51.6 | 0 | 0 | 0 | 110 | Q420 D421 L479 V480 L481 R501 | Q420-D431 WeakPolarHBondContact CA-O 3.42Å; D421-D431 PolarHBondContact N-O 2.88Å; D431-L479 WeakPolarHBondContact CB-O 3.35Å; D431-V480 WeakPolarHBondContact OD2-CA 3.22Å; D431-L481 HydrophobicContact CB-CB 4.43Å; D431-L481 HydrophobicContact CB-CD1 4.17Å; D431-L481 HydrophobicContact CB-CG 4.12Å; D431-L481 PolarHBondContact OD2-N 3.43Å; D431-R501 IonicContact OD1-NH1 2.7Å; D431-R501 IonicContact OD1-NH2 2.7Å; D431-R501 IonicContact OD2-CZ 2.73Å; D431-R501 IonicContact OD2-NH2 3.18Å; D431-R501 PolarHBondContact OD2-NH2 2.71Å |
| 432 | F | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.1 | 165 | -50.5 | -87.9 | 0 | 0 | 0 | 110.6 | K402 V405 A406 L409 Y418 R419 Q420 V478 L479 L481 | K402-F432 HydrophobicContact CG-CE2 4.16Å; K402-F432 HydrophobicContact CG-CZ 3.68Å; K402-F432 WeakPolarHBondContact O-CZ 3.24Å; V405-F432 HydrophobicContact CB-CE2 4.04Å; V405-F432 HydrophobicContact CB-CZ 4.23Å; V405-F432 HydrophobicContact CG1-CD2 4.08Å; V405-F432 HydrophobicContact CG1-CE2 3.47Å; V405-F432 VanDerWaalsContact CG1-CE2 3.47Å; V405-F432 HydrophobicContact CG1-CZ 3.95Å; A406-F432 HydrophobicContact CB-CE1 3.65Å; A406-F432 HydrophobicContact CB-CZ 3.85Å; L409-F432 HydrophobicContact CD1-CB 4Å; L409-F432 HydrophobicContact CD1-CD1 3.72Å; L409-F432 HydrophobicContact CD1-CD2 4Å; L409-F432 HydrophobicContact CD1-CE1 4.16Å; L409-F432 HydrophobicContact CD1-CE2 4.41Å; L409-F432 HydrophobicContact CD1-CG 3.63Å; L409-F432 HydrophobicContact CD1-CZ 4.48Å; Y418-F432 AromaticContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CD1 3.7Å; Y418-F432 HydrophobicContact CD2-CE1 4.48Å; Y418-F432 AromaticContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CD1 3.73Å; Y418-F432 HydrophobicContact CE2-CE1 4.05Å; R419-F432 CarbonylContact O-C 3.46Å; R419-F432 VanDerWaalsContact O-CA 3.3Å; R419-F432 WeakPolarHBondContact O-CA 3.36Å; Q420-F432 HydrophobicContact CB-CD1 4.12Å; Q420-F432 HydrophobicContact CB-CE1 4.21Å; Q420-F432 HydrophobicContact CG-CD1 4.12Å; Q420-F432 HydrophobicContact CG-CE1 3.83Å; F432-V478 CarbonylContact O-C 3.56Å; F432-V478 VanDerWaalsContact O-CA 3.29Å; F432-V478 WeakPolarHBondContact O-CA 3.29Å; F432-L479 HydrophobicContact CB-CB 4.18Å; F432-L479 HydrophobicContact CD2-CB 4.33Å; F432-L479 PolarHBondContact N-O 3.48Å; F432-L479 PolarHBondContact O-N 3.33Å; F432-L481 HydrophobicContact CE2-CD1 3.93Å; F432-L481 HydrophobicContact CE2-CG 4.25Å |
| 433 | L | 94.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | 177.7 | 179.8 | 150.7 | 0 | 0 | 0 | 110.5 | Y418 R419 L422 V424 T430 P450 V477 V478 Y510 | Y418-L433 CarbonylContact C-O 3.55Å; Y418-L433 VanDerWaalsContact CA-O 3.24Å; Y418-L433 WeakPolarHBondContact CA-O 3.45Å; R419-L433 PolarHBondContact N-O 2.77Å; R419-L433 PolarHBondContact O-N 3.04Å; L422-L433 HydrophobicContact CD2-CD1 4.17Å; V424-L433 HydrophobicContact CG1-CD1 4.31Å; T430-L433 HydrophobicContact CG2-CD1 4.46Å; L433-P450 HydrophobicContact CD1-CB 4.44Å; L433-P450 HydrophobicContact CD2-CB 3.68Å; L433-V477 CarbonylContact C-O 3.48Å; L433-V477 WeakPolarHBondContact CA-O 3.45Å; L433-V478 HydrophobicContact CD1-CG2 4.26Å; L433-V478 HydrophobicContact CG-CG2 4.47Å; L433-Y510 HydrophobicContact CD1-CD1 4.26Å; L433-Y510 HydrophobicContact CD1-CE1 3.77Å |
| 434 | L | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.4 | 173.8 | -56.4 | 90.8 | 0 | 0 | 0 | 110 | L413 V442 R476 V477 L479 | L413-L434 HydrophobicContact CD1-CD2 3.44Å; L413-L434 VanDerWaalsContact CD1-CD2 3.44Å; L434-V442 HydrophobicContact CD2-CG1 3.97Å; L434-R476 CarbonylContact O-C 3.58Å; L434-R476 WeakPolarHBondContact O-CA 3.35Å; L434-V477 HydrophobicContact CB-CB 4.43Å; L434-V477 PolarHBondContact N-O 3.44Å; L434-V477 PolarHBondContact O-N 2.87Å; L434-L479 HydrophobicContact CD1-CD1 3.22Å; L434-L479 HydrophobicContact CD1-CD2 4.45Å; L434-L479 HydrophobicContact CD1-CG 4.41Å |
| 435 | C | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.9 | 168.2 | -63.2 | 0 | 0 | 0 | 0 | 108.8 | L443 Q448 Q475 | C435-L443 HydrophobicContact CB-CB 4.46Å; C435-L443 PolarHBondContact O-N 3.31Å; C435-Q448 HydrophobicContact CB-CB 3.9Å; C435-Q448 HydrophobicContact CB-CG 3.78Å; C435-Q475 CarbonylContact C-O 3.55Å; C435-Q475 WeakPolarHBondContact CA-O 3.45Å |
| 436 | A | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A441 A474 Q475 L542 | A436-A441 CarbonylContact C-O 3.52Å; A436-A441 VanDerWaalsContact CA-O 3.28Å; A436-A441 WeakPolarHBondContact CA-O 3.27Å; A436-A474 CarbonylContact O-C 3.54Å; A436-A474 WeakPolarHBondContact O-CA 3.48Å; A436-A474 WeakPolarHBondContact O-CB 3.2Å; A436-Q475 HydrophobicContact CB-CB 4.47Å; A436-Q475 PolarHBondContact N-O 3.37Å; A436-Q475 PolarHBondContact O-N 3.39Å; A436-L542 HydrophobicContact CB-CD2 3.49Å; A436-L542 VanDerWaalsContact CB-CD2 3.49Å |
| 437 | S | 90.2 | Very high | 88.6 | Confident | 23 Ų | 23 | 30.9 Ų | 30.9 | 16% | 0.161 | 18% | 0.177 | C | C | . | . | trans | -67.1 | 168.2 | 168 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | S439 G440 A441 | S437-S439 PolarHBondContact O-N 3.02Å; S437-S439 PolarHBondContact OG-N 2.88Å; S437-S439 PolarHBondContact OG-OG 3.27Å; S437-G440 WeakPolarHBondContact O-CA 3.16Å; S437-G440 PolarHBondContact O-N 2.76Å; S437-A441 PolarHBondContact N-O 3.45Å; S437-A441 WeakPolarHBondContact OG-CB 3.49Å; S437-A441 PolarHBondContact OG-N 2.81Å | ||
| 438 | S | 86.3 | Confident | 88.8 | Confident | 62 Ų | 62 | 33.3 Ų | 33.3 | 43% | 0.434 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32 | 168.1 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | G440 D472 | S438-G440 PolarHBondContact O-N 3.05Å; S438-D472 WeakPolarHBondContact CB-OD1 3.35Å; S438-D472 WeakPolarHBondContact CB-OD2 3.21Å; S438-D472 PolarHBondContact OG-OD1 3.37Å; S438-D472 PolarHBondContact OG-OD2 3.25Å |
| 439 | S | 87.5 | Confident | 88.8 | Confident | 84 Ų | 84 | 37.7 Ų | 37.7 | 59% | 0.587 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 0.7 | 175.2 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | S437 | S437-S439 PolarHBondContact O-N 3.02Å; S437-S439 PolarHBondContact OG-N 2.88Å; S437-S439 PolarHBondContact OG-OG 3.27Å |
| 440 | G | 89.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | trans | 83.4 | 3.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S437 S438 V442 L542 R543 | S437-G440 WeakPolarHBondContact O-CA 3.16Å; S437-G440 PolarHBondContact O-N 2.76Å; S438-G440 PolarHBondContact O-N 3.05Å; G440-V442 PolarHBondContact O-N 3.22Å; G440-L542 CarbonylContact O-C 3.33Å; G440-L542 VanDerWaalsContact O-CA 3.27Å; G440-L542 WeakPolarHBondContact O-CA 3.5Å; G440-R543 PolarHBondContact O-N 2.46Å | ||
| 441 | A | 91.7 | Very high | 88.2 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 31% | 0.314 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -71.5 | 124 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A436 S437 L443 R543 | A436-A441 CarbonylContact C-O 3.52Å; A436-A441 VanDerWaalsContact CA-O 3.28Å; A436-A441 WeakPolarHBondContact CA-O 3.27Å; S437-A441 PolarHBondContact N-O 3.45Å; S437-A441 WeakPolarHBondContact OG-CB 3.49Å; S437-A441 PolarHBondContact OG-N 2.81Å; A441-L443 WeakPolarHBondContact O-CG 3.41Å; A441-L443 PolarHBondContact O-N 2.99Å; A441-R543 CarbonylContact C-O 3.57Å; A441-R543 WeakPolarHBondContact CA-O 3.1Å |
| 442 | V | 92.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 117.5 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | K417 L434 G440 L542 R543 W544 | K417-V442 HydrophobicContact CB-CG1 3.95Å; K417-V442 HydrophobicContact CD-CG1 4.24Å; K417-V442 HydrophobicContact CG-CG1 4.37Å; K417-V442 PolarHBondContact NZ-O 2.97Å; L434-V442 HydrophobicContact CD2-CG1 3.97Å; G440-V442 PolarHBondContact O-N 3.22Å; V442-L542 HydrophobicContact CG2-CB 4.14Å; V442-R543 PolarHBondContact N-O 3.45Å; V442-W544 HydrophobicContact CB-CB 4.48Å; V442-W544 HydrophobicContact CG2-CE3 4.49Å |
| 443 | L | 91.1 | Very high | 86.4 | Confident | 39 Ų | 39 | 47.1 Ų | 47.1 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 146.1 | -174 | -54.6 | 178.8 | 0 | 0 | 0 | 111 | C435 A441 V445 Q448 A474 | C435-L443 HydrophobicContact CB-CB 4.46Å; C435-L443 PolarHBondContact O-N 3.31Å; A441-L443 WeakPolarHBondContact O-CG 3.41Å; A441-L443 PolarHBondContact O-N 2.99Å; L443-V445 PolarHBondContact O-N 3.33Å; L443-Q448 HydrophobicContact CB-CG 3.9Å; L443-Q448 HydrophobicContact CD1-CG 4.12Å; L443-A474 HydrophobicContact CD1-CB 4.11Å |
| 444 | P | 89.5 | Confident | 84.8 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 29% | 0.286 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 127.4 | 170.7 | -19.5 | 32.2 | 0 | 0 | 0 | 111 | E416 K417 R446 T447 | E416-P444 HydrophobicContact CG-CB 4.34Å; E416-P444 CarbonylContact O-C 3.59Å; E416-P444 WeakPolarHBondContact O-CA 3.47Å; K417-P444 HydrophobicContact CD-CG 4.38Å; P444-R446 PolarHBondContact O-N 2.9Å; P444-T447 PolarHBondContact O-N 3.41Å; P444-T447 VanDerWaalsContact O-N 3.14Å; P444-T447 PolarHBondContact O-OG1 3.19Å |
| 445 | V | 84.3 | Confident | 83 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -70.6 | -19.3 | -172.7 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | E416 K417 R419 L443 T447 Q448 P450 | E416-V445 PolarHBondContact O-N 3.2Å; K417-V445 VanDerWaalsContact C-CG2 3.43Å; K417-V445 WeakPolarHBondContact O-CG2 3.42Å; R419-V445 HydrophobicContact CG-CB 3.97Å; R419-V445 HydrophobicContact CG-CG1 3.36Å; R419-V445 HydrophobicContact CG-CG2 4.31Å; L443-V445 PolarHBondContact O-N 3.33Å; V445-T447 PolarHBondContact O-N 2.96Å; V445-Q448 PolarHBondContact O-N 3.43Å; V445-Q448 VanDerWaalsContact O-O 3.07Å; V445-P450 HydrophobicContact CG1-CB 4.31Å |
| 446 | R | 80.5 | Confident | 80.9 | Confident | 208 Ų | 208 | 56.5 Ų | 56.5 | 79% | 0.785 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -66.1 | -21.6 | 175 | -64.2 | -172.2 | -177.1 | -167.5 | 2.6 | 113.3 | P444 | P444-R446 PolarHBondContact O-N 2.9Š|
| 447 | T | 80.1 | Confident | 78.9 | Confident | 99 Ų | 99 | 61.4 Ų | 61.4 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -99.4 | -2.3 | -179.1 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | P444 V445 | P444-T447 PolarHBondContact O-N 3.41Å; P444-T447 VanDerWaalsContact O-N 3.14Å; P444-T447 PolarHBondContact O-OG1 3.19Å; V445-T447 PolarHBondContact O-N 2.96Å |
| 448 | Q | 83.3 | Confident | 76.5 | Confident | 55 Ų | 55 | 65 Ų | 65 | 26% | 0.257 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -118.3 | 143.8 | -174.8 | -57.6 | -56.7 | -51.8 | 0 | 0 | 109.9 | C435 L443 V445 P450 | C435-Q448 HydrophobicContact CB-CB 3.9Å; C435-Q448 HydrophobicContact CB-CG 3.78Å; L443-Q448 HydrophobicContact CB-CG 3.9Å; L443-Q448 HydrophobicContact CD1-CG 4.12Å; V445-Q448 PolarHBondContact O-N 3.43Å; V445-Q448 VanDerWaalsContact O-O 3.07Å; Q448-P450 VanDerWaalsContact O-CD 3.23Å; Q448-P450 WeakPolarHBondContact O-CD 3.17Å |
| 449 | D | 83.8 | Confident | 73.9 | Confident | 95 Ų | 95 | 64.8 Ų | 64.8 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | trans | -73 | 112.8 | 162 | -171.3 | -8.2 | 0 | 0 | 0 | 108.1 | F451 R476 | D449-F451 PolarHBondContact O-N 3.13Å; D449-F451 WeakPolarHBondContact OD1-CB 3.26Å; D449-F451 VanDerWaalsContact OD1-CD2 3.25Å; D449-F451 WeakPolarHBondContact OD1-CD2 3.39Å; D449-F451 PolarHBondContact OD1-N 2.79Å; D449-R476 PolarHBondContact O-NE 3.43Å; D449-R476 PolarHBondContact O-NH2 2.82Å | ||
| 450 | P | 78.8 | Confident | 71.2 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | trans | -70.5 | -18.1 | 179.3 | 32.1 | -36.9 | 0 | 0 | 0 | 111.8 | L422 L433 V445 Q448 | L422-P450 HydrophobicContact CD2-CB 3.6Å; L422-P450 HydrophobicContact CD2-CG 3.73Å; L433-P450 HydrophobicContact CD1-CB 4.44Å; L433-P450 HydrophobicContact CD2-CB 3.68Å; V445-P450 HydrophobicContact CG1-CB 4.31Å; Q448-P450 VanDerWaalsContact O-CD 3.23Å; Q448-P450 WeakPolarHBondContact O-CD 3.17Å | ||
| 451 | F | 83.1 | Confident | 68.5 | Low | 73 Ų | 73 | 75 Ų | 75 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -84.1 | 132.8 | -179.1 | -52.4 | -63 | 0 | 0 | 0 | 110 | L422 V424 D449 | L422-F451 HydrophobicContact CD1-CE1 4.2Å; L422-F451 HydrophobicContact CD1-CZ 4.08Å; L422-F451 HydrophobicContact CD2-CD1 4.48Å; L422-F451 HydrophobicContact CD2-CE1 3.87Å; L422-F451 HydrophobicContact CD2-CZ 4.29Å; L422-F451 HydrophobicContact CG-CE1 4.07Å; L422-F451 HydrophobicContact CG-CZ 4.44Å; V424-F451 HydrophobicContact CB-CD1 4.29Å; V424-F451 HydrophobicContact CG1-CD1 4.07Å; V424-F451 HydrophobicContact CG1-CE1 4.2Å; D449-F451 PolarHBondContact O-N 3.13Å; D449-F451 WeakPolarHBondContact OD1-CB 3.26Å; D449-F451 VanDerWaalsContact OD1-CD2 3.25Å; D449-F451 WeakPolarHBondContact OD1-CD2 3.39Å; D449-F451 PolarHBondContact OD1-N 2.79Å |
| 452 | L | 79.7 | Confident | 65.7 | Low | 29 Ų | 29 | 76.8 Ų | 76.8 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | trans | -75.7 | 146.4 | 163.4 | -69.5 | 172.4 | 0 | 0 | 0 | 109.1 | Y454 R476 M508 G509 Y510 | L452-Y454 PolarHBondContact O-N 3.09Å; L452-R476 HydrophobicContact CD1-CB 4.32Å; L452-R476 HydrophobicContact CD2-CB 4.46Å; L452-R476 HydrophobicContact CD2-CG 4.13Å; L452-R476 VanDerWaalsContact CD2-NH1 3.32Å; L452-R476 HydrophobicContact CG-CB 4.29Å; L452-R476 HydrophobicContact CG-CG 4.13Å; L452-M508 VanDerWaalsContact CD1-O 3.24Å; L452-M508 WeakPolarHBondContact CD1-O 3.31Å; L452-G509 WeakPolarHBondContact CD1-O 3.35Å; L452-Y510 HydrophobicContact CB-CE2 4.4Å; L452-Y510 HydrophobicContact CD1-CD1 4.05Å; L452-Y510 HydrophobicContact CD1-CD2 3.88Å; L452-Y510 HydrophobicContact CD1-CE1 4.1Å; L452-Y510 HydrophobicContact CD1-CE2 3.94Å; L452-Y510 HydrophobicContact CD1-CG 3.93Å; L452-Y510 HydrophobicContact CG-CE1 4.21Å; L452-Y510 HydrophobicContact CG-CE2 4.39Å; L452-Y510 PolarHBondContact N-OH 3.2Å | ||
| 453 | P | 67.2 | Low | 62.8 | Low | 109 Ų | 109 | 84.3 Ų | 84.3 | 71% | 0.708 | 46% | 0.459 | S | S | * | . | trans | -53.5 | 111.7 | 167.8 | -18.8 | 29.7 | 0 | 0 | 0 | 107.6 | ||||
| 454 | Y | 62.2 | Low | 60 | Low | 78 Ų | 78 | 85.8 Ų | 85.8 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 132.3 | 177.3 | -170.8 | -93.8 | 0 | 0 | 0 | 107.5 | T363 P425 P426 L452 M508 | T363-Y454 WeakPolarHBondContact CG2-OH 3.5Å; T363-Y454 PolarHBondContact OG1-OH 2.97Å; P425-Y454 HydrophobicContact CB-CD2 3.96Å; P426-Y454 HydrophobicContact CB-CE2 4.15Å; P426-Y454 HydrophobicContact CG-CE2 3.78Å; L452-Y454 PolarHBondContact O-N 3.09Å; Y454-M508 HydrophobicContact CD2-SD 3.82Å; Y454-M508 HydrophobicContact CE2-SD 3.64Å |
| 455 | P | 55.7 | Low | 57.4 | Low | 37 Ų | 37 | 88.4 Ų | 88.4 | 24% | 0.24 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 131.6 | -165.9 | 13.2 | -26.3 | 0 | 0 | 0 | 110.7 | E366 L367 R457 | E366-P455 HydrophobicContact CG-CG 4.44Å; L367-P455 HydrophobicContact CD2-CG 3.56Å; P455-R457 PolarHBondContact O-N 2.87Å |
| 456 | P | 49.5 | Very low | 54.8 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 132.9 | -179.1 | 28.1 | -31.1 | 0 | 0 | 0 | 107.8 | S458 C459 | P456-S458 PolarHBondContact O-N 3.12Å; P456-C459 VanDerWaalsContact CG-SG 3.56Å |
| 457 | R | 49.3 | Very low | 52.5 | Low | 103 Ų | 103 | 89.1 Ų | 89.1 | 39% | 0.389 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | 105.9 | 169.5 | -78.5 | -175.2 | 176.2 | -177.3 | -6 | 108.3 | E366 L377 P455 C459 | E366-R457 WeakPolarHBondContact OE1-CA 3.37Å; L377-R457 PolarHBondContact O-NH2 3.08Å; P455-R457 PolarHBondContact O-N 2.87Å; R457-C459 PolarHBondContact O-N 3.01Å |
| 458 | S | 40.3 | Very low | 50.4 | Low | 98 Ų | 98 | 88.9 Ų | 88.9 | 69% | 0.685 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 27.9 | 77.4 | 172.8 | -44.2 | 0 | 0 | 0 | 0 | 113.1 | P456 | P456-S458 PolarHBondContact O-N 3.12Š|
| 459 | C | 31.5 | Very low | 48.2 | Very low | 58 Ų | 58 | 92.2 Ų | 92.2 | 39% | 0.392 | 57% | 0.571 | S | S | . | * | trans | -58.9 | 128.6 | 158.2 | -67.9 | 0 | 0 | 0 | 0 | 106.6 | P456 R457 Q461 A464 | P456-C459 VanDerWaalsContact CG-SG 3.56Å; R457-C459 PolarHBondContact O-N 3.01Å; C459-Q461 PolarHBondContact O-N 3.14Å; C459-A464 HydrophobicContact CB-CB 3.79Å; C459-A464 WeakPolarHBondContact SG-CB 3.44Å | ||
| 460 | P | 31.8 | Very low | 45.9 | Very low | 93 Ų | 93 | 94.5 Ų | 94.5 | 60% | 0.604 | 59% | 0.589 | S | S | * | * | trans | -51.2 | 132.9 | 168.3 | -17.3 | 28.1 | 0 | 0 | 0 | 106.9 | G462 Q463 | P460-G462 PolarHBondContact O-N 3.3Å; P460-Q463 PolarHBondContact O-N 2.98Å | ||
| 461 | Q | 32.3 | Very low | 44.5 | Very low | 210 Ų | 210 | 104.4 Ų | 104.4 | 98% | 0.981 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42 | 104.4 | 167 | -84.4 | 166.2 | -35.7 | 0 | 0 | 107.8 | C459 | C459-Q461 PolarHBondContact O-N 3.14Š|
| 462 | G | 32.7 | Very low | 43.1 | Very low | 76 Ų | 76 | 106 Ų | 106 | 78% | 0.784 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.4 | -8.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | P460 | P460-G462 PolarHBondContact O-N 3.3Š|
| 463 | Q | 32.9 | Very low | 42.7 | Very low | 165 Ų | 165 | 109.4 Ų | 109.4 | 77% | 0.771 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -130.8 | 9.5 | -171.4 | -78 | -176.3 | 9.1 | 0 | 0 | 119.1 | P460 | P460-Q463 PolarHBondContact O-N 2.98Š|
| 464 | A | 32.1 | Very low | 43.3 | Very low | 70 Ų | 70 | 104.7 Ų | 104.7 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -113.8 | 17.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | C459 | C459-A464 HydrophobicContact CB-CB 3.79Å; C459-A464 WeakPolarHBondContact SG-CB 3.44Å |
| 465 | A | 33.4 | Very low | 44.6 | Very low | 98 Ų | 98 | 105 Ų | 105 | 81% | 0.81 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -103.5 | 3.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 466 | S | 31.6 | Very low | 46.3 | Very low | 115 Ų | 115 | 104.7 Ų | 104.7 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -107.1 | 14.6 | -167 | 48.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 467 | S | 32.4 | Very low | 48.5 | Very low | 111 Ų | 111 | 100.8 Ų | 100.8 | 78% | 0.776 | 60% | 0.603 | S | S | * | * | trans | -135.3 | 40.2 | 169.6 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | T469 | S467-T469 PolarHBondContact O-N 3.48Š| ||
| 468 | A | 34.9 | Very low | 50.7 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | trans | -82.1 | 101.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | T470 | A468-T470 PolarHBondContact O-N 3.41Š| ||
| 469 | T | 37.3 | Very low | 53.4 | Low | 124 Ų | 124 | 91.2 Ų | 91.2 | 76% | 0.761 | 55% | 0.552 | S | S | * | * | trans | -57.2 | 104.5 | 163.4 | 12.3 | 0 | 0 | 0 | 0 | 108.6 | S467 R471 | S467-T469 PolarHBondContact O-N 3.48Å; T469-R471 PolarHBondContact O-N 3.37Å | ||
| 470 | T | 35.8 | Very low | 56.4 | Low | 143 Ų | 143 | 88.6 Ų | 88.6 | 88% | 0.877 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 17.5 | 34.9 | 142.3 | 16.3 | 0 | 0 | 0 | 0 | 120.7 | A468 | A468-T470 PolarHBondContact O-N 3.41Š|
| 471 | R | 49.4 | Very low | 59.3 | Low | 226 Ų | 226 | 84.3 Ų | 84.3 | 85% | 0.853 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -133.7 | 122.6 | 169.2 | -79.2 | -174.6 | -177.6 | 163.2 | 2.7 | 109 | T469 P473 | T469-R471 PolarHBondContact O-N 3.37Å; R471-P473 VanDerWaalsContact O-N 3.14Å |
| 472 | D | 54.1 | Low | 62.2 | Low | 107 Ų | 107 | 77.5 Ų | 77.5 | 57% | 0.572 | 47% | 0.471 | S | S | * | . | trans | -45.3 | 114.7 | 172.4 | -155.7 | -22.5 | 0 | 0 | 0 | 110.6 | S438 A474 | S438-D472 WeakPolarHBondContact CB-OD1 3.35Å; S438-D472 WeakPolarHBondContact CB-OD2 3.21Å; S438-D472 PolarHBondContact OG-OD1 3.37Å; S438-D472 PolarHBondContact OG-OD2 3.25Å; D472-A474 PolarHBondContact O-N 3.21Å; D472-A474 VanDerWaalsContact O-N 3.1Å | ||
| 473 | P | 70.5 | Confident | 64.8 | Low | 100 Ų | 100 | 74 Ų | 74 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 116.2 | -167.5 | 24.9 | -33 | 0 | 0 | 0 | 110.2 | R471 Q475 | R471-P473 VanDerWaalsContact O-N 3.14Å; P473-Q475 PolarHBondContact O-N 2.86Å |
| 474 | A | 80.4 | Confident | 67.5 | Low | 11 Ų | 11 | 73.3 Ų | 73.3 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 131 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A436 L443 D472 R476 | A436-A474 CarbonylContact O-C 3.54Å; A436-A474 WeakPolarHBondContact O-CA 3.48Å; A436-A474 WeakPolarHBondContact O-CB 3.2Å; L443-A474 HydrophobicContact CD1-CB 4.11Å; D472-A474 PolarHBondContact O-N 3.21Å; D472-A474 VanDerWaalsContact O-N 3.1Å; A474-R476 WeakPolarHBondContact O-CD 3.49Å; A474-R476 PolarHBondContact O-NE 3.35Å; A474-R476 PolarHBondContact O-NH1 3.05Å |
| 475 | Q | 88.7 | Confident | 70.1 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 141.2 | 172.3 | -63.9 | -179.3 | -13.9 | 0 | 0 | 109.9 | C435 A436 P473 | C435-Q475 CarbonylContact C-O 3.55Å; C435-Q475 WeakPolarHBondContact CA-O 3.45Å; A436-Q475 HydrophobicContact CB-CB 4.47Å; A436-Q475 PolarHBondContact N-O 3.37Å; A436-Q475 PolarHBondContact O-N 3.39Å; P473-Q475 PolarHBondContact O-N 2.86Å |
| 476 | R | 92.3 | Very high | 72.7 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 12% | 0.117 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 106.6 | 178.3 | -79.2 | 55.9 | 169.6 | -134.7 | -8.2 | 108.5 | L434 D449 L452 A474 Y510 Q511 | L434-R476 CarbonylContact O-C 3.58Å; L434-R476 WeakPolarHBondContact O-CA 3.35Å; D449-R476 PolarHBondContact O-NE 3.43Å; D449-R476 PolarHBondContact O-NH2 2.82Å; L452-R476 HydrophobicContact CD1-CB 4.32Å; L452-R476 HydrophobicContact CD2-CB 4.46Å; L452-R476 HydrophobicContact CD2-CG 4.13Å; L452-R476 VanDerWaalsContact CD2-NH1 3.32Å; L452-R476 HydrophobicContact CG-CB 4.29Å; L452-R476 HydrophobicContact CG-CG 4.13Å; A474-R476 WeakPolarHBondContact O-CD 3.49Å; A474-R476 PolarHBondContact O-NE 3.35Å; A474-R476 PolarHBondContact O-NH1 3.05Å; R476-Y510 HydrophobicContact CB-CD1 3.65Å; R476-Y510 HydrophobicContact CB-CE1 3.89Å; R476-Y510 HydrophobicContact CG-CE1 4.3Å; R476-Y510 WeakPolarHBondContact O-CA 3.4Å; R476-Q511 PolarHBondContact O-N 2.71Å |
| 477 | V | 94.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.1 | -177.7 | -173.9 | 0 | 0 | 0 | 0 | 109 | L433 L434 L479 Q511 L513 L540 L542 | L433-V477 CarbonylContact C-O 3.48Å; L433-V477 WeakPolarHBondContact CA-O 3.45Å; L434-V477 HydrophobicContact CB-CB 4.43Å; L434-V477 PolarHBondContact N-O 3.44Å; L434-V477 PolarHBondContact O-N 2.87Å; V477-L479 HydrophobicContact CG1-CD1 4.1Å; V477-Q511 CarbonylContact C-O 3.45Å; V477-Q511 VanDerWaalsContact CA-O 3.31Å; V477-Q511 WeakPolarHBondContact CA-O 3.31Å; V477-Q511 HydrophobicContact CG2-CB 4.35Å; V477-L513 HydrophobicContact CG1-CB 4.37Å; V477-L540 HydrophobicContact CG1-CD1 3.86Å; V477-L542 HydrophobicContact CG1-CD1 4.45Å; V477-L542 HydrophobicContact CG2-CD1 4.27Å; V477-L542 HydrophobicContact CG2-CD2 4.4Å |
| 478 | V | 94.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.6 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | T430 F432 L433 V480 Y510 Q511 L512 L513 | T430-V478 HydrophobicContact CG2-CG1 3.98Å; T430-V478 HydrophobicContact CG2-CG2 3.92Å; F432-V478 CarbonylContact O-C 3.56Å; F432-V478 VanDerWaalsContact O-CA 3.29Å; F432-V478 WeakPolarHBondContact O-CA 3.29Å; L433-V478 HydrophobicContact CD1-CG2 4.26Å; L433-V478 HydrophobicContact CG-CG2 4.47Å; V478-V480 HydrophobicContact CG1-CG2 3.88Å; V478-V480 PolarHBondContact O-N 2.84Å; V478-Y510 HydrophobicContact CG2-CD1 3.63Å; V478-Y510 HydrophobicContact CG2-CE1 4.49Å; V478-Y510 HydrophobicContact CG2-CG 4.07Å; V478-Q511 PolarHBondContact N-O 3.42Å; V478-L512 HydrophobicContact CB-CD2 3.87Å; V478-L512 HydrophobicContact CG1-CD2 4.4Å; V478-L512 WeakPolarHBondContact O-CA 3.43Å; V478-L513 PolarHBondContact O-N 3.14Å |
| 479 | L | 97.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 118.6 | 167.9 | -77.4 | 55.3 | 0 | 0 | 0 | 107.1 | L409 D431 F432 L434 V477 L513 L515 L537 | L409-L479 HydrophobicContact CD1-CD2 3.88Å; L409-L479 HydrophobicContact CD2-CD2 3.83Å; L409-L479 HydrophobicContact CG-CD2 4.41Å; D431-L479 WeakPolarHBondContact CB-O 3.35Å; F432-L479 HydrophobicContact CB-CB 4.18Å; F432-L479 HydrophobicContact CD2-CB 4.33Å; F432-L479 PolarHBondContact N-O 3.48Å; F432-L479 PolarHBondContact O-N 3.33Å; L434-L479 HydrophobicContact CD1-CD1 3.22Å; L434-L479 HydrophobicContact CD1-CD2 4.45Å; L434-L479 HydrophobicContact CD1-CG 4.41Å; V477-L479 HydrophobicContact CG1-CD1 4.1Å; L479-L513 CarbonylContact C-O 3.59Å; L479-L513 WeakPolarHBondContact CA-O 3.32Å; L479-L513 HydrophobicContact CD1-CB 4.1Å; L479-L513 HydrophobicContact CD1-CD2 3.89Å; L479-L513 HydrophobicContact CG-CB 4.18Å; L479-L513 HydrophobicContact CG-CD2 3.86Å; L479-L513 HydrophobicContact CG-CG 4.3Å; L479-L515 HydrophobicContact CB-CD1 4.17Å; L479-L515 HydrophobicContact CD2-CD1 4.18Å; L479-L515 HydrophobicContact CG-CD1 4.35Å; L479-L537 HydrophobicContact CD1-CD2 4.17Å; L479-L537 HydrophobicContact CD2-CD2 4.46Å |
| 480 | V | 94.5 | Very high | 82.7 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 111.3 | -177 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | D431 V478 R482 E502 L512 L513 P514 L515 | D431-V480 WeakPolarHBondContact OD2-CA 3.22Å; V478-V480 HydrophobicContact CG1-CG2 3.88Å; V478-V480 PolarHBondContact O-N 2.84Å; V480-R482 HydrophobicContact CG1-CG 4.42Å; V480-R482 PolarHBondContact O-N 3.25Å; V480-E502 HydrophobicContact CG1-CG 4.11Å; V480-E502 WeakPolarHBondContact CG1-OE1 3.25Å; V480-L512 HydrophobicContact CG2-CB 4.3Å; V480-L512 HydrophobicContact CG2-CD2 4.04Å; V480-L513 PolarHBondContact N-O 3.48Å; V480-P514 WeakPolarHBondContact O-CA 3.45Å; V480-L515 PolarHBondContact O-N 3.5Å |
| 481 | L | 93.5 | Very high | 84.9 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 115.8 | 173.7 | -68.2 | 172.4 | 0 | 0 | 0 | 108.7 | K402 V405 D431 F432 E483 H486 L515 L520 | K402-L481 HydrophobicContact CB-CD1 3.63Å; K402-L481 HydrophobicContact CD-CD1 4.45Å; K402-L481 HydrophobicContact CG-CD1 3.85Å; V405-L481 HydrophobicContact CB-CD2 4.36Å; V405-L481 HydrophobicContact CG1-CD2 4.38Å; V405-L481 HydrophobicContact CG2-CD2 3.99Å; D431-L481 HydrophobicContact CB-CB 4.43Å; D431-L481 HydrophobicContact CB-CD1 4.17Å; D431-L481 HydrophobicContact CB-CG 4.12Å; D431-L481 PolarHBondContact OD2-N 3.43Å; F432-L481 HydrophobicContact CE2-CD1 3.93Å; F432-L481 HydrophobicContact CE2-CG 4.25Å; L481-E483 HydrophobicContact CB-CG 4.38Å; L481-E483 PolarHBondContact O-N 3.35Å; L481-H486 PolarHBondContact O-CE1 3.32Å; L481-H486 VanDerWaalsContact O-CE1 3.22Å; L481-H486 PolarHBondContact O-ND1 2.9Å; L481-H486 VanDerWaalsContact O-ND1 3.11Å; L481-L515 HydrophobicContact CD2-CB 4.2Å; L481-L515 HydrophobicContact CD2-CD1 4.03Å; L481-L520 HydrophobicContact CD2-CD1 3.85Å |
| 482 | R | 92.3 | Very high | 86.7 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 81.4 | 175.6 | -76.3 | -174.6 | 177.8 | 171.4 | 1.2 | 108.9 | V480 F487 L494 E502 P514 L515 F517 | V480-R482 HydrophobicContact CG1-CG 4.42Å; V480-R482 PolarHBondContact O-N 3.25Å; R482-F487 HydrophobicContact CB-CE2 3.87Å; R482-F487 HydrophobicContact CB-CZ 3.9Å; R482-F487 HydrophobicContact CG-CZ 4.41Å; R482-L494 HydrophobicContact CG-CD2 4.38Å; R482-E502 IonicContact CZ-OE1 3.86Å; R482-E502 IonicContact CZ-OE2 3.7Å; R482-E502 IonicContact NE-OE1 3.55Å; R482-E502 PolarHBondContact NE-OE1 3.45Å; R482-E502 IonicContact NE-OE2 3.44Å; R482-E502 PolarHBondContact NE-OE2 2.91Å; R482-E502 IonicContact NH2-OE1 3.53Å; R482-E502 IonicContact NH2-OE2 2.69Å; R482-E502 PolarHBondContact NH2-OE2 2.86Å; R482-P514 HydrophobicContact CG-CB 4.5Å; R482-L515 PolarHBondContact N-O 3.05Å; R482-F517 WeakPolarHBondContact O-CB 3.3Å; R482-F517 PolarHBondContact O-N 2.94Å |
| 483 | E | 89.3 | Confident | 88.4 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | trans | -72.7 | 153.3 | -177.4 | -60.5 | -74.9 | -165.3 | 0 | 0 | 111.3 | S400 H401 L481 W485 H486 F487 | S400-E483 VanDerWaalsContact CA-OE1 3.22Å; S400-E483 WeakPolarHBondContact CA-OE1 3.32Å; S400-E483 WeakPolarHBondContact CB-OE1 3.49Å; S400-E483 PolarHBondContact OG-OE1 3.41Å; H401-E483 IonicContact CE1-OE2 3.19Å; H401-E483 IonicContact CG-OE2 3.06Å; H401-E483 PolarHBondContact N-OE1 3.07Å; H401-E483 IonicContact ND1-OE1 2.78Å; H401-E483 IonicContact ND1-OE2 2.58Å; H401-E483 PolarHBondContact ND1-OE2 3.08Å; L481-E483 HydrophobicContact CB-CG 4.38Å; L481-E483 PolarHBondContact O-N 3.35Å; E483-W485 HydrophobicContact CB-CD2 3.68Å; E483-W485 HydrophobicContact CB-CE3 3.75Å; E483-W485 HydrophobicContact CB-CG 4.43Å; E483-W485 HydrophobicContact CB-CH2 3.73Å; E483-W485 HydrophobicContact CB-CZ2 3.65Å; E483-W485 HydrophobicContact CB-CZ3 3.77Å; E483-W485 HydrophobicContact CG-CH2 3.66Å; E483-W485 HydrophobicContact CG-CZ2 3.56Å; E483-W485 HydrophobicContact CG-CZ3 4.18Å; E483-W485 PolarHBondContact O-N 2.8Å; E483-H486 PolarHBondContact N-ND1 2.79Å; E483-H486 VanDerWaalsContact O-CB 3.25Å; E483-H486 WeakPolarHBondContact O-CB 3.43Å; E483-H486 PolarHBondContact O-N 2.79Å; E483-F487 VanDerWaalsContact O-CD2 3.31Å; E483-F487 WeakPolarHBondContact O-CD2 3.21Å | ||
| 484 | R | 89.1 | Confident | 89.4 | Confident | 149 Ų | 149 | 40.9 Ų | 40.9 | 56% | 0.562 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -51.7 | -29.3 | -179.4 | -172.5 | 170.6 | -177.8 | 157.7 | 3.6 | 114.1 | F517 | R484-F517 HydrophobicContact CB-CD1 3.99Å; R484-F517 HydrophobicContact CB-CD2 3.84Å; R484-F517 HydrophobicContact CB-CE1 4.09Å; R484-F517 HydrophobicContact CB-CE2 3.97Å; R484-F517 HydrophobicContact CB-CG 3.85Å; R484-F517 HydrophobicContact CB-CZ 4.1Å; R484-F517 HydrophobicContact CG-CD2 4.31Å; R484-F517 HydrophobicContact CG-CE1 4.2Å; R484-F517 HydrophobicContact CG-CE2 3.92Å; R484-F517 HydrophobicContact CG-CZ 3.86Å |
| 485 | W | 85.3 | Confident | 89.9 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 8% | 0.076 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -86.4 | -3.5 | 179.3 | 66.2 | 86.3 | 0 | 0 | 0 | 115.5 | R251 D393 R396 E483 | R251-W485 VanDerWaalsContact NH1-C 3.32Å; R251-W485 VanDerWaalsContact NH1-CB 3.3Å; R251-W485 PolarHBondContact NH1-O 3.47Å; D393-W485 PolarHBondContact OD1-NE1 3.42Å; R396-W485 HydrophobicContact CB-CD2 3.9Å; R396-W485 HydrophobicContact CB-CE3 4.2Å; R396-W485 HydrophobicContact CB-CG 4.44Å; R396-W485 HydrophobicContact CB-CH2 4.06Å; R396-W485 HydrophobicContact CB-CZ2 3.79Å; R396-W485 HydrophobicContact CB-CZ3 4.28Å; R396-W485 VanDerWaalsContact CD-CB 3.49Å; R396-W485 VanDerWaalsContact CD-CD2 3.49Å; R396-W485 HydrophobicContact CG-CD2 4.35Å; R396-W485 HydrophobicContact CG-CG 4.46Å; R396-W485 WeakPolarHBondContact O-CH2 3.21Å; E483-W485 HydrophobicContact CB-CD2 3.68Å; E483-W485 HydrophobicContact CB-CE3 3.75Å; E483-W485 HydrophobicContact CB-CG 4.43Å; E483-W485 HydrophobicContact CB-CH2 3.73Å; E483-W485 HydrophobicContact CB-CZ2 3.65Å; E483-W485 HydrophobicContact CB-CZ3 3.77Å; E483-W485 HydrophobicContact CG-CH2 3.66Å; E483-W485 HydrophobicContact CG-CZ2 3.56Å; E483-W485 HydrophobicContact CG-CZ3 4.18Å; E483-W485 PolarHBondContact O-N 2.8Å |
| 486 | H | 88.5 | Confident | 89.9 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -79.7 | -10.9 | 171 | -61.9 | 164.6 | 0 | 0 | 0 | 112.5 | D393 L481 E483 L494 L495 R498 | D393-H486 IonicContact OD1-CD2 3.27Å; D393-H486 IonicContact OD1-NE2 2.78Å; D393-H486 PolarHBondContact OD1-NE2 3.02Å; L481-H486 PolarHBondContact O-CE1 3.32Å; L481-H486 VanDerWaalsContact O-CE1 3.22Å; L481-H486 PolarHBondContact O-ND1 2.9Å; L481-H486 VanDerWaalsContact O-ND1 3.11Å; E483-H486 PolarHBondContact N-ND1 2.79Å; E483-H486 VanDerWaalsContact O-CB 3.25Å; E483-H486 WeakPolarHBondContact O-CB 3.43Å; E483-H486 PolarHBondContact O-N 2.79Å; H486-L494 HydrophobicContact CB-CD2 4.08Å; H486-L495 VanDerWaalsContact O-CG 3.32Å; H486-L495 WeakPolarHBondContact O-CG 3.32Å; H486-L495 PolarHBondContact O-N 2.85Å; H486-R498 HydrophobicContact CB-CG 3.95Å; H486-R498 PolarHBondContact CD2-NE 3.4Å; H486-R498 PolarHBondContact CD2-NH2 3.35Å; H486-R498 VanDerWaalsContact NE2-CZ 3.29Å; H486-R498 PolarHBondContact NE2-NH2 3.32Å |
| 487 | F | 90.2 | Very high | 89.7 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -102.4 | 164.5 | -179.8 | -62.3 | -95.1 | 0 | 0 | 0 | 113 | R482 E483 G491 V493 L494 F517 | R482-F487 HydrophobicContact CB-CE2 3.87Å; R482-F487 HydrophobicContact CB-CZ 3.9Å; R482-F487 HydrophobicContact CG-CZ 4.41Å; E483-F487 VanDerWaalsContact O-CD2 3.31Å; E483-F487 WeakPolarHBondContact O-CD2 3.21Å; F487-G491 WeakPolarHBondContact CD1-O 3.37Å; F487-G491 WeakPolarHBondContact CG-O 3.46Å; F487-V493 CarbonylContact C-O 3.43Å; F487-V493 VanDerWaalsContact CA-O 3.27Å; F487-V493 WeakPolarHBondContact CA-O 3.47Å; F487-L494 HydrophobicContact CD1-CD2 3.96Å; F487-L494 HydrophobicContact CD1-CG 4.17Å; F487-L494 HydrophobicContact CD2-CD2 4.29Å; F487-L494 HydrophobicContact CE1-CD2 3.63Å; F487-L494 HydrophobicContact CE1-CG 3.79Å; F487-L494 HydrophobicContact CE2-CD2 3.98Å; F487-L494 HydrophobicContact CG-CD2 4.29Å; F487-L494 HydrophobicContact CZ-CD2 3.64Å; F487-L494 HydrophobicContact CZ-CG 4.23Å; F487-F517 HydrophobicContact CD2-CD1 4.29Å; F487-F517 HydrophobicContact CD2-CE1 4.18Å; F487-F517 HydrophobicContact CE2-CD1 4.05Å; F487-F517 HydrophobicContact CE2-CE1 4.23Å |
| 488 | C | 88.4 | Confident | 89.4 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | trans | -56 | 161.5 | 158.1 | -64.3 | 0 | 0 | 0 | 0 | 110.1 | R253 D490 G491 V493 | R253-C488 HydrophobicContact CB-CB 4.05Å; C488-D490 VanDerWaalsContact CB-OD1 3.28Å; C488-D490 WeakPolarHBondContact CB-OD1 3.3Å; C488-D490 PolarHBondContact O-N 3.1Å; C488-D490 VanDerWaalsContact O-N 3.13Å; C488-G491 PolarHBondContact O-N 3.47Å; C488-V493 HydrophobicContact CB-CB 4.47Å; C488-V493 PolarHBondContact N-O 2.91Å; C488-V493 PolarHBondContact SG-O 3.44Å | ||
| 489 | R | 85.8 | Confident | 89.3 | Confident | 100 Ų | 100 | 38 Ų | 38 | 38% | 0.377 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.8 | -171.9 | -172.7 | 179.9 | -178 | -166.4 | 4.8 | 113.2 | R251 L252 G491 | R251-R489 WeakPolarHBondContact O-CB 3.33Å; R251-R489 PolarHBondContact O-N 3.19Å; L252-R489 HydrophobicContact CD2-CB 4.24Å; L252-R489 VanDerWaalsContact CD2-CD 3.43Å; L252-R489 HydrophobicContact CD2-CG 4.48Å; R489-G491 PolarHBondContact O-N 2.89Å |
| 490 | D | 82.2 | Confident | 89 | Confident | 84 Ų | 84 | 38.2 Ų | 38.2 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11 | 175 | 65.9 | -9.4 | 0 | 0 | 0 | 113.9 | C488 R492 | C488-D490 VanDerWaalsContact CB-OD1 3.28Å; C488-D490 WeakPolarHBondContact CB-OD1 3.3Å; C488-D490 PolarHBondContact O-N 3.1Å; C488-D490 VanDerWaalsContact O-N 3.13Å; D490-R492 VanDerWaalsContact C-N 3.29Å; D490-R492 PolarHBondContact O-N 3.01Å; D490-R492 PolarHBondContact OD1-N 3.37Å; D490-R492 VanDerWaalsContact OD1-N 3.1Å |
| 491 | G | 82.5 | Confident | 88.8 | Confident | 13 Ų | 13 | 39 Ų | 39 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 80.6 | -1.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F487 C488 R489 | F487-G491 WeakPolarHBondContact CD1-O 3.37Å; F487-G491 WeakPolarHBondContact CG-O 3.46Å; C488-G491 PolarHBondContact O-N 3.47Å; R489-G491 PolarHBondContact O-N 2.89Å |
| 492 | R | 85.9 | Confident | 88.7 | Confident | 210 Ų | 210 | 40 Ų | 40 | 79% | 0.792 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -96.1 | -39.5 | -166.8 | -61.2 | -178.3 | -178.6 | -162.2 | -0.1 | 113.8 | D490 | D490-R492 VanDerWaalsContact C-N 3.29Å; D490-R492 PolarHBondContact O-N 3.01Å; D490-R492 PolarHBondContact OD1-N 3.37Å; D490-R492 VanDerWaalsContact OD1-N 3.1Å |
| 493 | V | 90.5 | Very high | 88.7 | Confident | 34 Ų | 34 | 38 Ų | 38 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -110 | 122.7 | -171.9 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | N288 F487 C488 | N288-V493 HydrophobicContact CB-CG1 4.09Å; F487-V493 CarbonylContact C-O 3.43Å; F487-V493 VanDerWaalsContact CA-O 3.27Å; F487-V493 WeakPolarHBondContact CA-O 3.47Å; C488-V493 HydrophobicContact CB-CB 4.47Å; C488-V493 PolarHBondContact N-O 2.91Å; C488-V493 PolarHBondContact SG-O 3.44Å |
| 494 | L | 90.8 | Very high | 88.7 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -59 | 137.8 | 171.6 | -75.4 | 172.9 | 0 | 0 | 0 | 110.7 | N288 R482 H486 F487 R498 A499 | N288-L494 VanDerWaalsContact CB-O 3.27Å; N288-L494 WeakPolarHBondContact CB-O 3.39Å; R482-L494 HydrophobicContact CG-CD2 4.38Å; H486-L494 HydrophobicContact CB-CD2 4.08Å; F487-L494 HydrophobicContact CD1-CD2 3.96Å; F487-L494 HydrophobicContact CD1-CG 4.17Å; F487-L494 HydrophobicContact CD2-CD2 4.29Å; F487-L494 HydrophobicContact CE1-CD2 3.63Å; F487-L494 HydrophobicContact CE1-CG 3.79Å; F487-L494 HydrophobicContact CE2-CD2 3.98Å; F487-L494 HydrophobicContact CG-CD2 4.29Å; F487-L494 HydrophobicContact CZ-CD2 3.64Å; F487-L494 HydrophobicContact CZ-CG 4.23Å; L494-R498 HydrophobicContact CB-CB 4.47Å; L494-R498 HydrophobicContact CD2-CB 4.31Å; L494-A499 HydrophobicContact CB-CB 4.45Å |
| 495 | L | 91.2 | Very high | 88.8 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | trans | -60.4 | 147.5 | 172.4 | -62.8 | 171.9 | 0 | 0 | 0 | 110.4 | R251 R286 L287 H486 S497 R498 A499 | R251-L495 HydrophobicContact CB-CD2 4.17Å; R251-L495 HydrophobicContact CG-CD1 4.41Å; R251-L495 HydrophobicContact CG-CD2 3.94Å; R286-L495 WeakPolarHBondContact O-CA 3.36Å; R286-L495 WeakPolarHBondContact O-CB 3.36Å; R286-L495 WeakPolarHBondContact O-CD2 3.32Å; L287-L495 HydrophobicContact CD2-CD2 4.47Å; H486-L495 VanDerWaalsContact O-CG 3.32Å; H486-L495 WeakPolarHBondContact O-CG 3.32Å; H486-L495 PolarHBondContact O-N 2.85Å; L495-S497 PolarHBondContact O-N 2.97Å; L495-S497 VanDerWaalsContact O-N 3.11Å; L495-R498 WeakPolarHBondContact O-CA 3.33Å; L495-R498 WeakPolarHBondContact O-CB 3.36Å; L495-R498 PolarHBondContact O-N 3.48Å; L495-A499 PolarHBondContact O-N 2.84Å | ||
| 496 | G | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -34.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | G285 R286 R498 A499 L500 | G285-G496 VanDerWaalsContact O-CA 3.29Å; G285-G496 WeakPolarHBondContact O-CA 2.94Å; R286-G496 PolarHBondContact O-N 2.94Å; G496-R498 VanDerWaalsContact C-N 3.32Å; G496-R498 PolarHBondContact O-N 3.23Å; G496-A499 PolarHBondContact O-N 2.89Å; G496-L500 WeakPolarHBondContact O-CB 3.29Å; G496-L500 PolarHBondContact O-N 2.85Å |
| 497 | S | 87 | Confident | 89.2 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 16% | 0.161 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -31.6 | 175.4 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | L495 R501 | L495-S497 PolarHBondContact O-N 2.97Å; L495-S497 VanDerWaalsContact O-N 3.11Å; S497-R501 PolarHBondContact O-N 3.31Å |
| 498 | R | 89 | Confident | 89.2 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -77.7 | -45.5 | 176.3 | -63.9 | -71.2 | 172.1 | -176.6 | -2.7 | 110.5 | D393 H486 L494 L495 G496 L500 R501 E502 | D393-R498 IonicContact OD1-CZ 2.8Å; D393-R498 IonicContact OD1-NH1 3Å; D393-R498 IonicContact OD1-NH2 2.61Å; D393-R498 PolarHBondContact OD1-NH2 2.91Å; D393-R498 IonicContact OD2-CZ 3.41Å; D393-R498 VanDerWaalsContact OD2-CZ 3.27Å; D393-R498 IonicContact OD2-NH1 3.68Å; D393-R498 PolarHBondContact OD2-NH1 3.19Å; D393-R498 IonicContact OD2-NH2 3.15Å; D393-R498 PolarHBondContact OD2-NH2 3.18Å; H486-R498 HydrophobicContact CB-CG 3.95Å; H486-R498 PolarHBondContact CD2-NE 3.4Å; H486-R498 PolarHBondContact CD2-NH2 3.35Å; H486-R498 VanDerWaalsContact NE2-CZ 3.29Å; H486-R498 PolarHBondContact NE2-NH2 3.32Å; L494-R498 HydrophobicContact CB-CB 4.47Å; L494-R498 HydrophobicContact CD2-CB 4.31Å; L495-R498 WeakPolarHBondContact O-CA 3.33Å; L495-R498 WeakPolarHBondContact O-CB 3.36Å; L495-R498 PolarHBondContact O-N 3.48Å; G496-R498 VanDerWaalsContact C-N 3.32Å; G496-R498 PolarHBondContact O-N 3.23Å; R498-L500 VanDerWaalsContact C-N 3.26Å; R498-L500 PolarHBondContact O-N 2.93Å; R498-R501 PolarHBondContact O-N 2.96Å; R498-E502 PolarHBondContact O-N 2.8Å |
| 499 | A | 91.8 | Very high | 89.2 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L494 L495 G496 R503 | L494-A499 HydrophobicContact CB-CB 4.45Å; L495-A499 PolarHBondContact O-N 2.84Å; G496-A499 PolarHBondContact O-N 2.89Å; A499-R503 WeakPolarHBondContact O-CB 3.33Å; A499-R503 PolarHBondContact O-N 2.89Å; A499-R503 PolarHBondContact O-NH1 3.43Å |
| 500 | L | 91.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -50.2 | 172.7 | 179.7 | 68.7 | 0 | 0 | 0 | 111.8 | Q324 L360 G496 R498 R503 H504 | Q324-L500 HydrophobicContact CG-CB 4.48Å; Q324-L500 HydrophobicContact CG-CD2 4.14Å; L360-L500 HydrophobicContact CD1-CD2 4.2Å; L360-L500 HydrophobicContact CD2-CD2 4.09Å; L360-L500 HydrophobicContact CG-CD2 4.44Å; G496-L500 WeakPolarHBondContact O-CB 3.29Å; G496-L500 PolarHBondContact O-N 2.85Å; R498-L500 VanDerWaalsContact C-N 3.26Å; R498-L500 PolarHBondContact O-N 2.93Å; L500-R503 PolarHBondContact O-N 3.07Å; L500-H504 VanDerWaalsContact CD1-NE2 3.25Å; L500-H504 WeakPolarHBondContact CD1-NE2 3.48Å; L500-H504 WeakPolarHBondContact O-CB 3.5Å; L500-H504 PolarHBondContact O-N 3.44Å |
| 501 | R | 89.7 | Confident | 90 | Very high | 21 Ų | 21 | 32.9 Ų | 32.9 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -54 | 177.6 | 170.6 | -176.8 | 134.1 | 175.5 | -13.3 | 111.3 | Y428 C429 D431 S497 R498 R503 H504 L505 | Y428-R501 HydrophobicContact CD1-CB 3.85Å; Y428-R501 HydrophobicContact CD1-CG 3.6Å; Y428-R501 HydrophobicContact CE1-CB 3.84Å; Y428-R501 HydrophobicContact CE1-CG 4.12Å; Y428-R501 HydrophobicContact CG-CG 4.18Å; C429-R501 PolarHBondContact O-NE 2.87Å; C429-R501 PolarHBondContact O-NH1 2.82Å; D431-R501 IonicContact OD1-NH1 2.7Å; D431-R501 IonicContact OD1-NH2 2.7Å; D431-R501 IonicContact OD2-CZ 2.73Å; D431-R501 IonicContact OD2-NH2 3.18Å; D431-R501 PolarHBondContact OD2-NH2 2.71Å; S497-R501 PolarHBondContact O-N 3.31Å; R498-R501 PolarHBondContact O-N 2.96Å; R501-R503 VanDerWaalsContact C-N 3.31Å; R501-R503 PolarHBondContact O-N 2.88Å; R501-H504 PolarHBondContact O-N 3.43Å; R501-L505 HydrophobicContact CG-CD1 3.87Å; R501-L505 HydrophobicContact CG-CG 4.42Å; R501-L505 WeakPolarHBondContact O-CG 3.47Å; R501-L505 PolarHBondContact O-N 3.45Å |
| 502 | E | 91.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 34.5 Ų | 34.5 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -46.9 | -178.5 | -72.3 | -172.1 | -166.4 | 0 | 0 | 110.4 | V480 R482 R498 H504 L505 G506 L512 | V480-E502 HydrophobicContact CG1-CG 4.11Å; V480-E502 WeakPolarHBondContact CG1-OE1 3.25Å; R482-E502 IonicContact CZ-OE1 3.86Å; R482-E502 IonicContact CZ-OE2 3.7Å; R482-E502 IonicContact NE-OE1 3.55Å; R482-E502 PolarHBondContact NE-OE1 3.45Å; R482-E502 IonicContact NE-OE2 3.44Å; R482-E502 PolarHBondContact NE-OE2 2.91Å; R482-E502 IonicContact NH2-OE1 3.53Å; R482-E502 IonicContact NH2-OE2 2.69Å; R482-E502 PolarHBondContact NH2-OE2 2.86Å; R498-E502 PolarHBondContact O-N 2.8Å; E502-H504 PolarHBondContact O-N 3.34Å; E502-L505 PolarHBondContact O-N 3.48Å; E502-G506 PolarHBondContact O-N 3.12Å; E502-L512 HydrophobicContact CB-CD1 3.96Å; E502-L512 HydrophobicContact CG-CD1 4.47Å; E502-L512 WeakPolarHBondContact O-CD1 3.33Å |
| 503 | R | 92.2 | Very high | 91.1 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 178 | 179.4 | 171.9 | 69.4 | -127.3 | 21.3 | 113.7 | C323 E368 A499 L500 R501 G506 L507 | C323-R503 PolarHBondContact O-NH2 3.45Å; C323-R503 VanDerWaalsContact O-NH2 3.07Å; E368-R503 IonicContact OE1-CZ 2.9Å; E368-R503 IonicContact OE1-NE 3.87Å; E368-R503 PolarHBondContact OE1-NE 2.96Å; E368-R503 IonicContact OE1-NH2 2.73Å; E368-R503 PolarHBondContact OE1-NH2 3.31Å; E368-R503 IonicContact OE2-NH2 2.71Å; A499-R503 WeakPolarHBondContact O-CB 3.33Å; A499-R503 PolarHBondContact O-N 2.89Å; A499-R503 PolarHBondContact O-NH1 3.43Å; L500-R503 PolarHBondContact O-N 3.07Å; R501-R503 VanDerWaalsContact C-N 3.31Å; R501-R503 PolarHBondContact O-N 2.88Å; R503-G506 PolarHBondContact O-N 3.27Å; R503-L507 HydrophobicContact CG-CD1 3.89Å; R503-L507 HydrophobicContact CG-CG 4.45Å; R503-L507 WeakPolarHBondContact O-CG 3.34Å; R503-L507 PolarHBondContact O-N 3.42Å |
| 504 | H | 91.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 178.9 | -78.6 | -161.8 | 0 | 0 | 0 | 111.8 | L367 E368 Y428 L500 R501 E502 G506 L507 M508 | L367-H504 HydrophobicContact CD1-CB 3.73Å; E368-H504 IonicContact OE1-CD2 3.7Å; E368-H504 PolarHBondContact OE1-CD2 3.46Å; E368-H504 VanDerWaalsContact OE1-CD2 3.27Å; E368-H504 IonicContact OE1-NE2 2.76Å; E368-H504 PolarHBondContact OE1-NE2 3.5Å; Y428-H504 HydrophobicContact CD2-CB 4.33Å; Y428-H504 HydrophobicContact CE2-CB 3.51Å; Y428-H504 AromaticContact CE2-CG 3.99Å; Y428-H504 AromaticContact CE2-ND1 3.63Å; Y428-H504 AromaticContact CZ-ND1 3.54Å; Y428-H504 PolarHBondContact OH-CE1 3.38Å; Y428-H504 PolarHBondContact OH-ND1 2.92Å; L500-H504 VanDerWaalsContact CD1-NE2 3.25Å; L500-H504 WeakPolarHBondContact CD1-NE2 3.48Å; L500-H504 WeakPolarHBondContact O-CB 3.5Å; L500-H504 PolarHBondContact O-N 3.44Å; R501-H504 PolarHBondContact O-N 3.43Å; E502-H504 PolarHBondContact O-N 3.34Å; H504-G506 VanDerWaalsContact C-N 3.32Å; H504-G506 PolarHBondContact O-N 3.16Å; H504-L507 PolarHBondContact O-N 2.73Å; H504-M508 VanDerWaalsContact O-CG 3.26Å; H504-M508 WeakPolarHBondContact O-CG 3.46Å; H504-M508 PolarHBondContact O-N 2.7Å |
| 505 | L | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 173.3 | -70.2 | 169.3 | 0 | 0 | 0 | 111.2 | V424 T430 R501 E502 M508 G509 Y510 L512 | V424-L505 HydrophobicContact CG2-CD2 3.6Å; T430-L505 HydrophobicContact CG2-CD2 4.33Å; R501-L505 HydrophobicContact CG-CD1 3.87Å; R501-L505 HydrophobicContact CG-CG 4.42Å; R501-L505 WeakPolarHBondContact O-CG 3.47Å; R501-L505 PolarHBondContact O-N 3.45Å; E502-L505 PolarHBondContact O-N 3.48Å; L505-M508 HydrophobicContact CD2-CE 3.67Å; L505-M508 HydrophobicContact CG-CE 4.37Å; L505-M508 PolarHBondContact O-N 3.44Å; L505-G509 PolarHBondContact O-N 2.7Å; L505-Y510 HydrophobicContact CB-CD2 4.41Å; L505-Y510 HydrophobicContact CD2-CD2 3.98Å; L505-Y510 HydrophobicContact CD2-CE2 4.29Å; L505-Y510 HydrophobicContact CD2-CG 4.45Å; L505-Y510 WeakPolarHBondContact O-CB 3.5Å; L505-Y510 WeakPolarHBondContact O-CD2 3.38Å; L505-Y510 PolarHBondContact O-N 3.23Å; L505-Y510 VanDerWaalsContact O-N 3.07Å; L505-L512 HydrophobicContact CB-CD1 4.43Å; L505-L512 HydrophobicContact CB-CD2 3.87Å; L505-L512 HydrophobicContact CD1-CD2 4.36Å |
| 506 | G | 92.2 | Very high | 91.8 | Very high | 38 Ų | 38 | 25 Ų | 25 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E502 R503 H504 M508 G509 | E502-G506 PolarHBondContact O-N 3.12Å; R503-G506 PolarHBondContact O-N 3.27Å; H504-G506 VanDerWaalsContact C-N 3.32Å; H504-G506 PolarHBondContact O-N 3.16Å; G506-M508 VanDerWaalsContact C-N 3.26Å; G506-M508 PolarHBondContact O-N 2.76Å; G506-G509 PolarHBondContact O-N 3.03Å |
| 507 | L | 90.6 | Very high | 91.8 | Very high | 90 Ų | 90 | 25.5 Ų | 25.5 | 47% | 0.471 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.9 | -28.1 | 178.3 | -71.5 | 168.1 | 0 | 0 | 0 | 113.1 | L367 E368 R503 H504 G509 | L367-L507 HydrophobicContact CB-CB 4.23Å; L367-L507 HydrophobicContact CB-CD1 4.01Å; L367-L507 HydrophobicContact CD2-CB 4.35Å; E368-L507 HydrophobicContact CG-CD1 3.87Å; R503-L507 HydrophobicContact CG-CD1 3.89Å; R503-L507 HydrophobicContact CG-CG 4.45Å; R503-L507 WeakPolarHBondContact O-CG 3.34Å; R503-L507 PolarHBondContact O-N 3.42Å; H504-L507 PolarHBondContact O-N 2.73Å; L507-G509 PolarHBondContact O-N 2.82Å |
| 508 | M | 88.8 | Confident | 92 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.4 | 172.5 | -69.3 | -175.3 | -53.3 | 0 | 0 | 113.4 | L367 V424 Y428 L452 Y454 H504 L505 G506 Y510 | L367-M508 HydrophobicContact CD1-CG 4.04Å; L367-M508 HydrophobicContact CD1-SD 4.5Å; L367-M508 HydrophobicContact CD2-CG 3.75Å; V424-M508 HydrophobicContact CG2-CE 4.34Å; Y428-M508 HydrophobicContact CD2-CE 4.17Å; L452-M508 VanDerWaalsContact CD1-O 3.24Å; L452-M508 WeakPolarHBondContact CD1-O 3.31Å; Y454-M508 HydrophobicContact CD2-SD 3.82Å; Y454-M508 HydrophobicContact CE2-SD 3.64Å; H504-M508 VanDerWaalsContact O-CG 3.26Å; H504-M508 WeakPolarHBondContact O-CG 3.46Å; H504-M508 PolarHBondContact O-N 2.7Å; L505-M508 HydrophobicContact CD2-CE 3.67Å; L505-M508 HydrophobicContact CG-CE 4.37Å; L505-M508 PolarHBondContact O-N 3.44Å; G506-M508 VanDerWaalsContact C-N 3.26Å; G506-M508 PolarHBondContact O-N 2.76Å; M508-Y510 HydrophobicContact CB-CD2 3.97Å; M508-Y510 HydrophobicContact CB-CE2 4.06Å; M508-Y510 HydrophobicContact CE-CD2 4.01Å; M508-Y510 HydrophobicContact CE-CE2 3.77Å |
| 509 | G | 89.9 | Confident | 92.3 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 53% | 0.526 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 7.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L452 L505 G506 L507 | L452-G509 WeakPolarHBondContact CD1-O 3.35Å; L505-G509 PolarHBondContact O-N 2.7Å; G506-G509 PolarHBondContact O-N 3.03Å; L507-G509 PolarHBondContact O-N 2.82Å |
| 510 | Y | 91.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 30.8 Ų | 30.8 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 130.1 | 172 | -65.9 | -86.7 | 0 | 0 | 0 | 110 | V424 L433 L452 R476 V478 L505 M508 L512 | V424-Y510 WeakPolarHBondContact CB-OH 3.27Å; V424-Y510 HydrophobicContact CG1-CE1 4.32Å; V424-Y510 WeakPolarHBondContact CG1-OH 3.35Å; V424-Y510 HydrophobicContact CG2-CE2 4.2Å; L433-Y510 HydrophobicContact CD1-CD1 4.26Å; L433-Y510 HydrophobicContact CD1-CE1 3.77Å; L452-Y510 HydrophobicContact CB-CE2 4.4Å; L452-Y510 HydrophobicContact CD1-CD1 4.05Å; L452-Y510 HydrophobicContact CD1-CD2 3.88Å; L452-Y510 HydrophobicContact CD1-CE1 4.1Å; L452-Y510 HydrophobicContact CD1-CE2 3.94Å; L452-Y510 HydrophobicContact CD1-CG 3.93Å; L452-Y510 HydrophobicContact CG-CE1 4.21Å; L452-Y510 HydrophobicContact CG-CE2 4.39Å; L452-Y510 PolarHBondContact N-OH 3.2Å; R476-Y510 HydrophobicContact CB-CD1 3.65Å; R476-Y510 HydrophobicContact CB-CE1 3.89Å; R476-Y510 HydrophobicContact CG-CE1 4.3Å; R476-Y510 WeakPolarHBondContact O-CA 3.4Å; V478-Y510 HydrophobicContact CG2-CD1 3.63Å; V478-Y510 HydrophobicContact CG2-CE1 4.49Å; V478-Y510 HydrophobicContact CG2-CG 4.07Å; L505-Y510 HydrophobicContact CB-CD2 4.41Å; L505-Y510 HydrophobicContact CD2-CD2 3.98Å; L505-Y510 HydrophobicContact CD2-CE2 4.29Å; L505-Y510 HydrophobicContact CD2-CG 4.45Å; L505-Y510 WeakPolarHBondContact O-CB 3.5Å; L505-Y510 WeakPolarHBondContact O-CD2 3.38Å; L505-Y510 PolarHBondContact O-N 3.23Å; L505-Y510 VanDerWaalsContact O-N 3.07Å; M508-Y510 HydrophobicContact CB-CD2 3.97Å; M508-Y510 HydrophobicContact CB-CE2 4.06Å; M508-Y510 HydrophobicContact CE-CD2 4.01Å; M508-Y510 HydrophobicContact CE-CE2 3.77Å; Y510-L512 PolarHBondContact O-N 3.15Å |
| 511 | Q | 93.1 | Very high | 92.3 | Very high | 71 Ų | 71 | 35.7 Ų | 35.7 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.5 | 173.2 | -171.2 | 178.3 | 20.6 | 0 | 0 | 109.2 | R476 V477 V478 | R476-Q511 PolarHBondContact O-N 2.71Å; V477-Q511 CarbonylContact C-O 3.45Å; V477-Q511 VanDerWaalsContact CA-O 3.31Å; V477-Q511 WeakPolarHBondContact CA-O 3.31Å; V477-Q511 HydrophobicContact CG2-CB 4.35Å; V478-Q511 PolarHBondContact N-O 3.42Å |
| 512 | L | 94.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.8 | -175.2 | -54 | -175.1 | 0 | 0 | 0 | 111.4 | V478 V480 E502 L505 Y510 P514 | V478-L512 HydrophobicContact CB-CD2 3.87Å; V478-L512 HydrophobicContact CG1-CD2 4.4Å; V478-L512 WeakPolarHBondContact O-CA 3.43Å; V480-L512 HydrophobicContact CG2-CB 4.3Å; V480-L512 HydrophobicContact CG2-CD2 4.04Å; E502-L512 HydrophobicContact CB-CD1 3.96Å; E502-L512 HydrophobicContact CG-CD1 4.47Å; E502-L512 WeakPolarHBondContact O-CD1 3.33Å; L505-L512 HydrophobicContact CB-CD1 4.43Å; L505-L512 HydrophobicContact CB-CD2 3.87Å; L505-L512 HydrophobicContact CD1-CD2 4.36Å; Y510-L512 PolarHBondContact O-N 3.15Å; L512-P514 WeakPolarHBondContact O-CD 3.44Å |
| 513 | L | 96.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 94.8 | 170.5 | -175.7 | 54.2 | 0 | 0 | 0 | 109.3 | V477 V478 L479 V480 L515 K536 L537 L540 | V477-L513 HydrophobicContact CG1-CB 4.37Å; V478-L513 PolarHBondContact O-N 3.14Å; L479-L513 CarbonylContact C-O 3.59Å; L479-L513 WeakPolarHBondContact CA-O 3.32Å; L479-L513 HydrophobicContact CD1-CB 4.1Å; L479-L513 HydrophobicContact CD1-CD2 3.89Å; L479-L513 HydrophobicContact CG-CB 4.18Å; L479-L513 HydrophobicContact CG-CD2 3.86Å; L479-L513 HydrophobicContact CG-CG 4.3Å; V480-L513 PolarHBondContact N-O 3.48Å; L513-L515 HydrophobicContact CG-CD2 4.47Å; L513-K536 HydrophobicContact CD1-CB 4.32Å; L513-K536 HydrophobicContact CD1-CD 4.46Å; L513-K536 HydrophobicContact CD2-CB 4.09Å; L513-L537 HydrophobicContact CD2-CD2 3.86Å; L513-L537 HydrophobicContact CD2-CG 4.5Å; L513-L540 HydrophobicContact CB-CD1 3.87Å; L513-L540 HydrophobicContact CD1-CD1 3.82Å; L513-L540 HydrophobicContact CD1-CG 4.17Å; L513-L540 HydrophobicContact CD2-CD1 3.71Å; L513-L540 HydrophobicContact CG-CD1 3.98Å |
| 514 | P | 95.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 135.4 | 179.3 | 28.8 | -33.7 | 0 | 0 | 0 | 111.2 | V480 R482 L512 | V480-P514 WeakPolarHBondContact O-CA 3.45Å; R482-P514 HydrophobicContact CG-CB 4.5Å; L512-P514 WeakPolarHBondContact O-CD 3.44Å |
| 515 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 93 | 172.2 | -58 | -178.5 | 0 | 0 | 0 | 108.2 | V405 L479 V480 L481 R482 L513 L520 Y532 L533 K536 | V405-L515 HydrophobicContact CG1-CD1 4.03Å; L479-L515 HydrophobicContact CB-CD1 4.17Å; L479-L515 HydrophobicContact CD2-CD1 4.18Å; L479-L515 HydrophobicContact CG-CD1 4.35Å; V480-L515 PolarHBondContact O-N 3.5Å; L481-L515 HydrophobicContact CD2-CB 4.2Å; L481-L515 HydrophobicContact CD2-CD1 4.03Å; R482-L515 PolarHBondContact N-O 3.05Å; L513-L515 HydrophobicContact CG-CD2 4.47Å; L515-L520 HydrophobicContact CB-CD1 4.12Å; L515-L520 HydrophobicContact CB-CD2 4.41Å; L515-L520 HydrophobicContact CB-CG 4.45Å; L515-Y532 HydrophobicContact CD2-CE1 4Å; L515-L533 HydrophobicContact CD1-CD2 3.94Å; L515-L533 HydrophobicContact CD2-CD2 4.33Å; L515-K536 HydrophobicContact CD2-CG 4.38Å |
| 516 | P | 93.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 144 | -178.6 | 29.2 | -32.4 | 0 | 0 | 0 | 111.8 | E518 E519 L520 | P516-E518 PolarHBondContact O-N 2.81Å; P516-E519 HydrophobicContact CG-CB 3.94Å; P516-E519 HydrophobicContact CG-CG 3.65Å; P516-E519 VanDerWaalsContact CG-OE1 3.22Å; P516-E519 WeakPolarHBondContact CG-OE1 3.47Å; P516-E519 PolarHBondContact O-N 2.58Å; P516-E519 VanDerWaalsContact O-N 3.16Å; P516-L520 WeakPolarHBondContact O-CG 3.43Å; P516-L520 PolarHBondContact O-N 3.35Å; P516-L520 VanDerWaalsContact O-N 3.09Å |
| 517 | F | 91 | Very high | 92.2 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -32.4 | -176.7 | 76.8 | -85.9 | 0 | 0 | 0 | 112.3 | R482 R484 F487 E519 L520 E521 | R482-F517 WeakPolarHBondContact O-CB 3.3Å; R482-F517 PolarHBondContact O-N 2.94Å; R484-F517 HydrophobicContact CB-CD1 3.99Å; R484-F517 HydrophobicContact CB-CD2 3.84Å; R484-F517 HydrophobicContact CB-CE1 4.09Å; R484-F517 HydrophobicContact CB-CE2 3.97Å; R484-F517 HydrophobicContact CB-CG 3.85Å; R484-F517 HydrophobicContact CB-CZ 4.1Å; R484-F517 HydrophobicContact CG-CD2 4.31Å; R484-F517 HydrophobicContact CG-CE1 4.2Å; R484-F517 HydrophobicContact CG-CE2 3.92Å; R484-F517 HydrophobicContact CG-CZ 3.86Å; F487-F517 HydrophobicContact CD2-CD1 4.29Å; F487-F517 HydrophobicContact CD2-CE1 4.18Å; F487-F517 HydrophobicContact CE2-CD1 4.05Å; F487-F517 HydrophobicContact CE2-CE1 4.23Å; F517-E519 VanDerWaalsContact C-N 3.31Å; F517-E519 PolarHBondContact O-N 3.35Å; F517-L520 PolarHBondContact O-N 2.82Å; F517-E521 HydrophobicContact CD2-CG 4.47Å; F517-E521 VanDerWaalsContact O-CB 3.26Å; F517-E521 WeakPolarHBondContact O-CB 3.48Å; F517-E521 VanDerWaalsContact O-CG 3.25Å; F517-E521 WeakPolarHBondContact O-CG 3.3Å; F517-E521 PolarHBondContact O-N 3.43Å |
| 518 | E | 91.6 | Very high | 92.3 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.4 | -60.6 | 89 | 160.6 | 0 | 0 | 111.4 | P516 S522 | P516-E518 PolarHBondContact O-N 2.81Å; E518-S522 WeakPolarHBondContact O-CB 3.24Å; E518-S522 PolarHBondContact O-N 2.84Å; E518-S522 VanDerWaalsContact O-N 3.16Å |
| 519 | E | 94.3 | Very high | 92.6 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.7 | -41.7 | 176.9 | -68.6 | 176.3 | -149.9 | 0 | 0 | 110.5 | P516 F517 S522 Q523 Y532 K536 | P516-E519 HydrophobicContact CG-CB 3.94Å; P516-E519 HydrophobicContact CG-CG 3.65Å; P516-E519 VanDerWaalsContact CG-OE1 3.22Å; P516-E519 WeakPolarHBondContact CG-OE1 3.47Å; P516-E519 PolarHBondContact O-N 2.58Å; P516-E519 VanDerWaalsContact O-N 3.16Å; F517-E519 VanDerWaalsContact C-N 3.31Å; F517-E519 PolarHBondContact O-N 3.35Å; E519-S522 PolarHBondContact O-N 3.45Å; E519-S522 PolarHBondContact O-OG 3.1Å; E519-Q523 WeakPolarHBondContact O-CG 3.47Å; E519-Q523 PolarHBondContact O-NE2 3.24Å; E519-Y532 HydrophobicContact CB-CE2 3.9Å; E519-Y532 HydrophobicContact CG-CE2 4.5Å; E519-Y532 WeakPolarHBondContact OE2-CE2 3.21Å; E519-Y532 PolarHBondContact OE2-OH 2.81Å; E519-K536 IonicContact OE1-NZ 3.27Å; E519-K536 WeakPolarHBondContact OE2-CE 3.24Å; E519-K536 IonicContact OE2-NZ 3.41Å; E519-K536 PolarHBondContact OE2-NZ 2.86Å |
| 520 | L | 92.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 178.4 | -64.9 | 172.2 | 0 | 0 | 0 | 112.5 | H401 V405 L481 L515 P516 F517 S522 Q523 L529 Y532 | H401-L520 HydrophobicContact CB-CB 4.38Å; H401-L520 HydrophobicContact CB-CD1 3.68Å; V405-L520 HydrophobicContact CG2-CD1 4.45Å; V405-L520 HydrophobicContact CG2-CD2 3.79Å; L481-L520 HydrophobicContact CD2-CD1 3.85Å; L515-L520 HydrophobicContact CB-CD1 4.12Å; L515-L520 HydrophobicContact CB-CD2 4.41Å; L515-L520 HydrophobicContact CB-CG 4.45Å; P516-L520 WeakPolarHBondContact O-CG 3.43Å; P516-L520 PolarHBondContact O-N 3.35Å; P516-L520 VanDerWaalsContact O-N 3.09Å; F517-L520 PolarHBondContact O-N 2.82Å; L520-S522 VanDerWaalsContact C-N 3.25Å; L520-S522 PolarHBondContact O-N 2.92Å; L520-Q523 WeakPolarHBondContact O-CB 3.38Å; L520-Q523 PolarHBondContact O-N 3.48Å; L520-Q523 VanDerWaalsContact O-N 3.17Å; L520-L529 HydrophobicContact CD2-CD1 3.73Å; L520-Y532 HydrophobicContact CD2-CD1 4.47Å; L520-Y532 HydrophobicContact CD2-CE1 3.83Å |
| 521 | E | 90.7 | Very high | 93 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -27.5 | 177.4 | -73.9 | 178.8 | 178.3 | 0 | 0 | 111.8 | H401 F517 Q523 | H401-E521 IonicContact CE1-OE1 3.46Å; H401-E521 WeakPolarHBondContact NE2-CG 3.34Å; F517-E521 HydrophobicContact CD2-CG 4.47Å; F517-E521 VanDerWaalsContact O-CB 3.26Å; F517-E521 WeakPolarHBondContact O-CB 3.48Å; F517-E521 VanDerWaalsContact O-CG 3.25Å; F517-E521 WeakPolarHBondContact O-CG 3.3Å; F517-E521 PolarHBondContact O-N 3.43Å; E521-Q523 VanDerWaalsContact C-N 3.26Å; E521-Q523 PolarHBondContact O-N 2.85Å |
| 522 | S | 92 | Very high | 93.2 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.8 | -16.4 | 175.3 | 77.9 | 0 | 0 | 0 | 0 | 113.9 | E518 E519 L520 R524 | E518-S522 WeakPolarHBondContact O-CB 3.24Å; E518-S522 PolarHBondContact O-N 2.84Å; E518-S522 VanDerWaalsContact O-N 3.16Å; E519-S522 PolarHBondContact O-N 3.45Å; E519-S522 PolarHBondContact O-OG 3.1Å; L520-S522 VanDerWaalsContact C-N 3.25Å; L520-S522 PolarHBondContact O-N 2.92Å; S522-R524 PolarHBondContact O-N 3.22Å |
| 523 | Q | 92.8 | Very high | 93.3 | Very high | 46 Ų | 46 | 51.4 Ų | 51.4 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | trans | -75.9 | 117.6 | -178.6 | -53.1 | -48.6 | -47.5 | 0 | 0 | 111.2 | E519 L520 E521 G525 Q528 L529 Y532 | E519-Q523 WeakPolarHBondContact O-CG 3.47Å; E519-Q523 PolarHBondContact O-NE2 3.24Å; L520-Q523 WeakPolarHBondContact O-CB 3.38Å; L520-Q523 PolarHBondContact O-N 3.48Å; L520-Q523 VanDerWaalsContact O-N 3.17Å; E521-Q523 VanDerWaalsContact C-N 3.26Å; E521-Q523 PolarHBondContact O-N 2.85Å; Q523-G525 VanDerWaalsContact C-N 3.27Å; Q523-G525 PolarHBondContact O-N 2.82Å; Q523-Q528 PolarHBondContact OE1-O 3.25Å; Q523-L529 HydrophobicContact CB-CB 4.13Å; Q523-L529 HydrophobicContact CB-CD1 4.33Å; Q523-L529 HydrophobicContact CG-CB 4.4Å; Q523-L529 HydrophobicContact CG-CD1 3.93Å; Q523-Y532 HydrophobicContact CG-CD1 4.45Å; Q523-Y532 HydrophobicContact CG-CG 4.33Å | ||
| 524 | R | 86.2 | Confident | 93.2 | Very high | 226 Ų | 226 | 53.4 Ų | 53.4 | 85% | 0.853 | 28% | 0.275 | S | S | * | . | trans | -84.2 | 62.4 | -176.8 | -63.2 | -172.5 | -178.2 | -170.6 | 0.4 | 112.8 | S522 Q528 | S522-R524 PolarHBondContact O-N 3.22Å; R524-Q528 PolarHBondContact O-OE1 2.95Å | ||
| 525 | G | 88.2 | Confident | 93.2 | Very high | 33 Ų | 33 | 57.8 Ų | 57.8 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 99.7 | -179.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q523 Q528 L529 | Q523-G525 VanDerWaalsContact C-N 3.27Å; Q523-G525 PolarHBondContact O-N 2.82Å; G525-Q528 PolarHBondContact O-N 3.34Å; G525-L529 PolarHBondContact O-N 3.24Å; G525-L529 VanDerWaalsContact O-N 3.08Å |
| 526 | L | 91.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | -169.4 | -172.6 | 63.7 | 0 | 0 | 0 | 114.7 | I404 E407 Q528 L529 K530 | I404-L526 HydrophobicContact CG1-CD1 4.33Å; E407-L526 HydrophobicContact CB-CD1 4.36Å; E407-L526 HydrophobicContact CG-CD1 3.99Å; E407-L526 HydrophobicContact CG-CD2 3.76Å; L526-Q528 PolarHBondContact O-N 3.39Å; L526-L529 HydrophobicContact CD1-CD2 4.45Å; L526-L529 PolarHBondContact O-N 3.29Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 3.29Å |
| 527 | P | 93.2 | Very high | 93.4 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 178.9 | -24.3 | 35.3 | 0 | 0 | 0 | 113.2 | K530 S531 | P527-K530 PolarHBondContact O-N 2.83Å; P527-S531 PolarHBondContact O-N 3.42Å |
| 528 | Q | 94.2 | Very high | 93.5 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 177.7 | -70.4 | 73.1 | 14.5 | 0 | 0 | 110.4 | Q523 R524 G525 L526 K530 S531 Y532 | Q523-Q528 PolarHBondContact OE1-O 3.25Å; R524-Q528 PolarHBondContact O-OE1 2.95Å; G525-Q528 PolarHBondContact O-N 3.34Å; L526-Q528 PolarHBondContact O-N 3.39Å; Q528-K530 VanDerWaalsContact C-N 3.32Å; Q528-K530 PolarHBondContact O-N 2.8Å; Q528-S531 WeakPolarHBondContact O-CB 3.27Å; Q528-S531 PolarHBondContact O-N 3.35Å; Q528-Y532 WeakPolarHBondContact O-CB 3.41Å; Q528-Y532 PolarHBondContact O-N 2.85Å |
| 529 | L | 94.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 173.5 | -178.7 | 67.6 | 0 | 0 | 0 | 111.7 | I404 V405 L520 Q523 G525 L526 S531 Y532 L533 | I404-L529 HydrophobicContact CB-CD2 4.13Å; I404-L529 HydrophobicContact CD1-CD2 4.03Å; I404-L529 HydrophobicContact CG1-CD2 3.6Å; I404-L529 HydrophobicContact CG2-CD2 3.9Å; I404-L529 VanDerWaalsContact O-CD2 3.26Å; I404-L529 WeakPolarHBondContact O-CD2 3.03Å; V405-L529 HydrophobicContact CG2-CD1 4.4Å; V405-L529 HydrophobicContact CG2-CD2 4.33Å; L520-L529 HydrophobicContact CD2-CD1 3.73Å; Q523-L529 HydrophobicContact CB-CB 4.13Å; Q523-L529 HydrophobicContact CB-CD1 4.33Å; Q523-L529 HydrophobicContact CG-CB 4.4Å; Q523-L529 HydrophobicContact CG-CD1 3.93Å; G525-L529 PolarHBondContact O-N 3.24Å; G525-L529 VanDerWaalsContact O-N 3.08Å; L526-L529 HydrophobicContact CD1-CD2 4.45Å; L526-L529 PolarHBondContact O-N 3.29Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.91Å; L529-Y532 HydrophobicContact CD1-CD1 4.02Å; L529-Y532 WeakPolarHBondContact O-CB 3.23Å; L529-Y532 PolarHBondContact O-N 3.47Å; L529-L533 HydrophobicContact CD1-CG 4.4Å; L529-L533 HydrophobicContact CG-CD1 4.17Å; L529-L533 HydrophobicContact CG-CG 4.39Å; L529-L533 WeakPolarHBondContact O-CG 3.46Å; L529-L533 PolarHBondContact O-N 2.84Å |
| 530 | K | 95.1 | Very high | 93.5 | Very high | 40 Ų | 40 | 63.1 Ų | 63.1 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 176.4 | -172.3 | 173.4 | 69.3 | 165.5 | 0 | 111.6 | Q411 L412 L526 P527 Q528 L533 R534 E547 | Q411-K530 HydrophobicContact CB-CD 4.19Å; L412-K530 HydrophobicContact CB-CD 4.4Å; L412-K530 HydrophobicContact CB-CG 4.15Å; L412-K530 HydrophobicContact CD1-CD 4.3Å; L412-K530 HydrophobicContact CD1-CG 3.94Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 3.29Å; P527-K530 PolarHBondContact O-N 2.83Å; Q528-K530 VanDerWaalsContact C-N 3.32Å; Q528-K530 PolarHBondContact O-N 2.8Å; K530-L533 PolarHBondContact O-N 3.31Å; K530-R534 WeakPolarHBondContact O-CB 3.33Å; K530-R534 PolarHBondContact O-N 2.81Å; K530-E547 IonicContact NZ-OE2 3.21Å; K530-E547 PolarHBondContact NZ-OE2 3.37Å |
| 531 | S | 94.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.8 | -169 | 0 | 0 | 0 | 0 | 112.1 | P527 Q528 L529 R534 Q535 | P527-S531 PolarHBondContact O-N 3.42Å; Q528-S531 WeakPolarHBondContact O-CB 3.27Å; Q528-S531 PolarHBondContact O-N 3.35Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.91Å; S531-R534 WeakPolarHBondContact O-CB 3.41Å; S531-R534 PolarHBondContact O-N 2.72Å; S531-Q535 PolarHBondContact O-N 2.8Å |
| 532 | Y | 96.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 6% | 0.059 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 175.7 | 163.6 | -98.1 | 0 | 0 | 0 | 112.1 | L515 E519 L520 Q523 Q528 L529 R534 Q535 K536 | L515-Y532 HydrophobicContact CD2-CE1 4Å; E519-Y532 HydrophobicContact CB-CE2 3.9Å; E519-Y532 HydrophobicContact CG-CE2 4.5Å; E519-Y532 WeakPolarHBondContact OE2-CE2 3.21Å; E519-Y532 PolarHBondContact OE2-OH 2.81Å; L520-Y532 HydrophobicContact CD2-CD1 4.47Å; L520-Y532 HydrophobicContact CD2-CE1 3.83Å; Q523-Y532 HydrophobicContact CG-CD1 4.45Å; Q523-Y532 HydrophobicContact CG-CG 4.33Å; Q528-Y532 WeakPolarHBondContact O-CB 3.41Å; Q528-Y532 PolarHBondContact O-N 2.85Å; L529-Y532 HydrophobicContact CD1-CD1 4.02Å; L529-Y532 WeakPolarHBondContact O-CB 3.23Å; L529-Y532 PolarHBondContact O-N 3.47Å; Y532-R534 VanDerWaalsContact C-N 3.32Å; Y532-R534 PolarHBondContact O-N 3.32Å; Y532-Q535 PolarHBondContact O-N 3.01Å; Y532-K536 HydrophobicContact CD2-CG 4.34Å; Y532-K536 HydrophobicContact CE1-CG 4.28Å; Y532-K536 HydrophobicContact CE2-CD 4.24Å; Y532-K536 HydrophobicContact CE2-CG 3.9Å; Y532-K536 VanDerWaalsContact CZ-CE 3.47Å; Y532-K536 WeakPolarHBondContact O-CG 3.28Å; Y532-K536 PolarHBondContact O-N 2.92Å; Y532-K536 VanDerWaalsContact OH-CE 3.27Å; Y532-K536 WeakPolarHBondContact OH-CE 3.43Å |
| 533 | L | 96.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 176.6 | -68.8 | 174.4 | 0 | 0 | 0 | 111.2 | V405 L409 L412 L515 L529 K530 Q535 K536 L537 | V405-L533 HydrophobicContact CG1-CD1 4.38Å; V405-L533 HydrophobicContact CG1-CD2 4.26Å; L409-L533 HydrophobicContact CD2-CD1 4.23Å; L409-L533 HydrophobicContact CG-CD1 4.19Å; L412-L533 HydrophobicContact CD2-CB 4.13Å; L515-L533 HydrophobicContact CD1-CD2 3.94Å; L515-L533 HydrophobicContact CD2-CD2 4.33Å; L529-L533 HydrophobicContact CD1-CG 4.4Å; L529-L533 HydrophobicContact CG-CD1 4.17Å; L529-L533 HydrophobicContact CG-CG 4.39Å; L529-L533 WeakPolarHBondContact O-CG 3.46Å; L529-L533 PolarHBondContact O-N 2.84Å; K530-L533 PolarHBondContact O-N 3.31Å; L533-Q535 PolarHBondContact O-N 3.33Å; L533-K536 PolarHBondContact O-N 3.24Å; L533-L537 WeakPolarHBondContact O-CB 3.25Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.14Å; L533-L537 PolarHBondContact O-N 2.78Å |
| 534 | R | 95.9 | Very high | 93.2 | Very high | 54 Ų | 54 | 65 Ų | 65 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 173.7 | 172.1 | 176.4 | -47.7 | 110.6 | 8.2 | 111.5 | L412 K530 S531 Y532 K536 L537 Q538 W544 E547 | L412-R534 HydrophobicContact CD1-CB 4.18Å; L412-R534 VanDerWaalsContact CD1-NH2 3.27Å; L412-R534 HydrophobicContact CD2-CB 4.11Å; K530-R534 WeakPolarHBondContact O-CB 3.33Å; K530-R534 PolarHBondContact O-N 2.81Å; S531-R534 WeakPolarHBondContact O-CB 3.41Å; S531-R534 PolarHBondContact O-N 2.72Å; Y532-R534 VanDerWaalsContact C-N 3.32Å; Y532-R534 PolarHBondContact O-N 3.32Å; R534-K536 VanDerWaalsContact C-N 3.34Å; R534-K536 PolarHBondContact O-N 3.1Å; R534-L537 PolarHBondContact O-N 3.14Å; R534-Q538 HydrophobicContact CG-CG 4.35Å; R534-Q538 WeakPolarHBondContact O-CB 3.37Å; R534-Q538 WeakPolarHBondContact O-CG 3.48Å; R534-Q538 PolarHBondContact O-N 2.76Å; R534-W544 HydrophobicContact CB-CH2 4.29Å; R534-W544 HydrophobicContact CB-CZ2 4.02Å; R534-W544 HydrophobicContact CG-CH2 3.99Å; R534-W544 HydrophobicContact CG-CZ2 3.72Å; R534-E547 IonicContact CZ-OE1 3.32Å; R534-E547 VanDerWaalsContact CZ-OE1 3.32Å; R534-E547 IonicContact NE-OE1 3.79Å; R534-E547 IonicContact NH2-OE1 2.58Å; R534-E547 PolarHBondContact NH2-OE1 2.65Å; R534-E547 IonicContact NH2-OE2 3.74Å |
| 535 | Q | 95.8 | Very high | 92.7 | Very high | 134 Ų | 134 | 56.7 Ų | 56.7 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.1 | -44.4 | 179.3 | -172.4 | -177 | 15.4 | 0 | 0 | 111.5 | S531 Y532 L533 Q538 A539 | S531-Q535 PolarHBondContact O-N 2.8Å; Y532-Q535 PolarHBondContact O-N 3.01Å; L533-Q535 PolarHBondContact O-N 3.33Å; Q535-Q538 PolarHBondContact O-N 3.3Å; Q535-A539 VanDerWaalsContact O-CB 3.31Å; Q535-A539 WeakPolarHBondContact O-CB 3.1Å; Q535-A539 PolarHBondContact O-N 3.34Å |
| 536 | K | 96.6 | Very high | 91.8 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 178.1 | -72 | -70.2 | -174.1 | 174.5 | 0 | 112.5 | L513 L515 E519 Y532 L533 R534 L540 | L513-K536 HydrophobicContact CD1-CB 4.32Å; L513-K536 HydrophobicContact CD1-CD 4.46Å; L513-K536 HydrophobicContact CD2-CB 4.09Å; L515-K536 HydrophobicContact CD2-CG 4.38Å; E519-K536 IonicContact OE1-NZ 3.27Å; E519-K536 WeakPolarHBondContact OE2-CE 3.24Å; E519-K536 IonicContact OE2-NZ 3.41Å; E519-K536 PolarHBondContact OE2-NZ 2.86Å; Y532-K536 HydrophobicContact CD2-CG 4.34Å; Y532-K536 HydrophobicContact CE1-CG 4.28Å; Y532-K536 HydrophobicContact CE2-CD 4.24Å; Y532-K536 HydrophobicContact CE2-CG 3.9Å; Y532-K536 VanDerWaalsContact CZ-CE 3.47Å; Y532-K536 WeakPolarHBondContact O-CG 3.28Å; Y532-K536 PolarHBondContact O-N 2.92Å; Y532-K536 VanDerWaalsContact OH-CE 3.27Å; Y532-K536 WeakPolarHBondContact OH-CE 3.43Å; L533-K536 PolarHBondContact O-N 3.24Å; R534-K536 VanDerWaalsContact C-N 3.34Å; R534-K536 PolarHBondContact O-N 3.1Å; K536-L540 PolarHBondContact O-N 3.44Å |
| 537 | L | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 178.9 | -66.2 | 169.8 | 0 | 0 | 0 | 111.5 | L409 L412 L413 L479 L513 L533 R534 A539 L540 L542 W544 | L409-L537 HydrophobicContact CD2-CD1 4.26Å; L412-L537 HydrophobicContact CD2-CD1 3.84Å; L413-L537 HydrophobicContact CD1-CD1 4.07Å; L413-L537 HydrophobicContact CD2-CD1 4.2Å; L413-L537 HydrophobicContact CG-CD1 4.47Å; L479-L537 HydrophobicContact CD1-CD2 4.17Å; L479-L537 HydrophobicContact CD2-CD2 4.46Å; L513-L537 HydrophobicContact CD2-CD2 3.86Å; L513-L537 HydrophobicContact CD2-CG 4.5Å; L533-L537 WeakPolarHBondContact O-CB 3.25Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.14Å; L533-L537 PolarHBondContact O-N 2.78Å; R534-L537 PolarHBondContact O-N 3.14Å; L537-A539 VanDerWaalsContact C-N 3.34Å; L537-A539 PolarHBondContact O-N 3.36Å; L537-L540 WeakPolarHBondContact O-CB 3.47Å; L537-L540 PolarHBondContact O-N 2.91Å; L537-L540 VanDerWaalsContact O-N 3.12Å; L537-L542 HydrophobicContact CB-CB 4.39Å; L537-L542 HydrophobicContact CB-CD1 4.35Å; L537-L542 HydrophobicContact CD2-CD1 3.71Å; L537-L542 VanDerWaalsContact O-CB 3.3Å; L537-L542 WeakPolarHBondContact O-CB 3.34Å; L537-L542 PolarHBondContact O-N 2.76Å; L537-L542 VanDerWaalsContact O-N 3.1Å; L537-W544 HydrophobicContact CB-CH2 3.7Å; L537-W544 HydrophobicContact CB-CZ3 3.5Å; L537-W544 VanDerWaalsContact CB-CZ3 3.5Å; L537-W544 HydrophobicContact CD1-CH2 4.22Å; L537-W544 HydrophobicContact CD1-CZ3 4.22Å |
| 538 | Q | 94.8 | Very high | 88.2 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.8 | -76.7 | 173.7 | -17.2 | 0 | 0 | 112.6 | R534 Q535 L540 G541 W544 | R534-Q538 HydrophobicContact CG-CG 4.35Å; R534-Q538 WeakPolarHBondContact O-CB 3.37Å; R534-Q538 WeakPolarHBondContact O-CG 3.48Å; R534-Q538 PolarHBondContact O-N 2.76Å; Q535-Q538 PolarHBondContact O-N 3.3Å; Q538-L540 PolarHBondContact O-N 2.96Å; Q538-G541 WeakPolarHBondContact O-CA 3.34Å; Q538-G541 PolarHBondContact O-N 3.19Å; Q538-W544 HydrophobicContact CG-CH2 3.77Å; Q538-W544 HydrophobicContact CG-CZ3 4.15Å |
| 539 | A | 94.2 | Very high | 85.5 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 72% | 0.719 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.2 | -24 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q535 L537 G541 | Q535-A539 VanDerWaalsContact O-CB 3.31Å; Q535-A539 WeakPolarHBondContact O-CB 3.1Å; Q535-A539 PolarHBondContact O-N 3.34Å; L537-A539 VanDerWaalsContact C-N 3.34Å; L537-A539 PolarHBondContact O-N 3.36Å; A539-G541 VanDerWaalsContact C-N 3.26Å |
| 540 | L | 91.4 | Very high | 85 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 4 | 169.6 | -68.3 | -178.2 | 0 | 0 | 0 | 113.6 | V477 L513 K536 L537 Q538 L542 | V477-L540 HydrophobicContact CG1-CD1 3.86Å; L513-L540 HydrophobicContact CB-CD1 3.87Å; L513-L540 HydrophobicContact CD1-CD1 3.82Å; L513-L540 HydrophobicContact CD1-CG 4.17Å; L513-L540 HydrophobicContact CD2-CD1 3.71Å; L513-L540 HydrophobicContact CG-CD1 3.98Å; K536-L540 PolarHBondContact O-N 3.44Å; L537-L540 WeakPolarHBondContact O-CB 3.47Å; L537-L540 PolarHBondContact O-N 2.91Å; L537-L540 VanDerWaalsContact O-N 3.12Å; Q538-L540 PolarHBondContact O-N 2.96Å; L540-L542 VanDerWaalsContact C-N 3.26Å; L540-L542 HydrophobicContact CB-CD1 4.37Å; L540-L542 HydrophobicContact CB-CG 4.07Å; L540-L542 HydrophobicContact CD1-CD1 4.46Å; L540-L542 PolarHBondContact O-N 3.46Å |
| 541 | G | 91.8 | Very high | 84.5 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 10.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q538 A539 | Q538-G541 WeakPolarHBondContact O-CA 3.34Å; Q538-G541 PolarHBondContact O-N 3.19Å; A539-G541 VanDerWaalsContact C-N 3.26Å |
| 542 | L | 92.6 | Very high | 83.9 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 41% | 0.411 | C | S | . | . | trans | -75.2 | 138.2 | -178.7 | -58.2 | 177.7 | 0 | 0 | 0 | 111.3 | A436 G440 V442 V477 L537 L540 W544 | A436-L542 HydrophobicContact CB-CD2 3.49Å; A436-L542 VanDerWaalsContact CB-CD2 3.49Å; G440-L542 CarbonylContact O-C 3.33Å; G440-L542 VanDerWaalsContact O-CA 3.27Å; G440-L542 WeakPolarHBondContact O-CA 3.5Å; V442-L542 HydrophobicContact CG2-CB 4.14Å; V477-L542 HydrophobicContact CG1-CD1 4.45Å; V477-L542 HydrophobicContact CG2-CD1 4.27Å; V477-L542 HydrophobicContact CG2-CD2 4.4Å; L537-L542 HydrophobicContact CB-CB 4.39Å; L537-L542 HydrophobicContact CB-CD1 4.35Å; L537-L542 HydrophobicContact CD2-CD1 3.71Å; L537-L542 VanDerWaalsContact O-CB 3.3Å; L537-L542 WeakPolarHBondContact O-CB 3.34Å; L537-L542 PolarHBondContact O-N 2.76Å; L537-L542 VanDerWaalsContact O-N 3.1Å; L540-L542 VanDerWaalsContact C-N 3.26Å; L540-L542 HydrophobicContact CB-CD1 4.37Å; L540-L542 HydrophobicContact CB-CG 4.07Å; L540-L542 HydrophobicContact CD1-CD1 4.46Å; L540-L542 PolarHBondContact O-N 3.46Å; L542-W544 HydrophobicContact CB-CZ3 4.35Å; L542-W544 WeakPolarHBondContact O-CZ3 3.17Å | ||
| 543 | R | 89.4 | Confident | 83.2 | Confident | 185 Ų | 185 | 70.8 Ų | 70.8 | 70% | 0.698 | 43% | 0.432 | S | S | * | . | B | Isolated β-bridge | trans | -126 | 139.7 | 178.5 | -56.4 | -177.5 | -172.3 | -143.2 | 1.1 | 109.1 | G440 A441 V442 | G440-R543 PolarHBondContact O-N 2.46Å; A441-R543 CarbonylContact C-O 3.57Å; A441-R543 WeakPolarHBondContact CA-O 3.1Å; V442-R543 PolarHBondContact N-O 3.45Å |
| 544 | W | 88.6 | Confident | 82.3 | Confident | 46 Ų | 46 | 75.1 Ų | 75.1 | 17% | 0.174 | 46% | 0.459 | C | S | . | . | trans | -132.2 | 161.2 | 173.7 | 51.8 | 98 | 0 | 0 | 0 | 108.6 | L412 L413 V442 R534 L537 Q538 L542 | L412-W544 HydrophobicContact CD1-CZ2 3.81Å; L412-W544 HydrophobicContact CD2-CH2 4.42Å; L412-W544 HydrophobicContact CD2-CZ2 3.86Å; L412-W544 HydrophobicContact CG-CZ2 3.89Å; L412-W544 PolarHBondContact O-NE1 3.11Å; L413-W544 HydrophobicContact CD2-CB 3.87Å; L413-W544 HydrophobicContact CD2-CD2 3.45Å; L413-W544 VanDerWaalsContact CD2-CD2 3.45Å; L413-W544 HydrophobicContact CD2-CE3 3.89Å; L413-W544 HydrophobicContact CD2-CG 3.45Å; L413-W544 VanDerWaalsContact CD2-CG 3.45Å; V442-W544 HydrophobicContact CB-CB 4.48Å; V442-W544 HydrophobicContact CG2-CE3 4.49Å; R534-W544 HydrophobicContact CB-CH2 4.29Å; R534-W544 HydrophobicContact CB-CZ2 4.02Å; R534-W544 HydrophobicContact CG-CH2 3.99Å; R534-W544 HydrophobicContact CG-CZ2 3.72Å; L537-W544 HydrophobicContact CB-CH2 3.7Å; L537-W544 HydrophobicContact CB-CZ3 3.5Å; L537-W544 VanDerWaalsContact CB-CZ3 3.5Å; L537-W544 HydrophobicContact CD1-CH2 4.22Å; L537-W544 HydrophobicContact CD1-CZ3 4.22Å; Q538-W544 HydrophobicContact CG-CH2 3.77Å; Q538-W544 HydrophobicContact CG-CZ3 4.15Å; L542-W544 HydrophobicContact CB-CZ3 4.35Å; L542-W544 WeakPolarHBondContact O-CZ3 3.17Å | ||
| 545 | G | 75.8 | Confident | 81.4 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -64.4 | -170.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 546 | P | 67.9 | Low | 80.4 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 85% | 0.851 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -51.3 | 144.6 | 173.2 | 22.8 | -32.5 | 0 | 0 | 0 | 110.8 | G548 | P546-G548 PolarHBondContact O-N 2.99Š|
| 547 | E | 60.2 | Low | 79.1 | Confident | 98 Ų | 98 | 73.9 Ų | 73.9 | 46% | 0.458 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 126.3 | -175.7 | -66.3 | -172.4 | -174 | 0 | 0 | 110.7 | K530 R534 G549 | K530-E547 IonicContact NZ-OE2 3.21Å; K530-E547 PolarHBondContact NZ-OE2 3.37Å; R534-E547 IonicContact CZ-OE1 3.32Å; R534-E547 VanDerWaalsContact CZ-OE1 3.32Å; R534-E547 IonicContact NE-OE1 3.79Å; R534-E547 IonicContact NH2-OE1 2.58Å; R534-E547 PolarHBondContact NH2-OE1 2.65Å; R534-E547 IonicContact NH2-OE2 3.74Å; E547-G549 PolarHBondContact O-N 3.33Å |
| 548 | G | 50.2 | Low | 77.7 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 25% | 0.247 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 124 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P546 | P546-G548 PolarHBondContact O-N 2.99Š|
| 549 | G | 35.9 | Very low | 76.2 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 100% | 1.392 | 52% | 0.523 | S | S | * | . | trans | -68.4 | 0 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E547 | E547-G549 PolarHBondContact O-N 3.33Š|
Retrieved 549 of 549 residues in 192.1 ms
(Link to these results)