A0A087YAK6_POEFO Loading...

Family with sequence similarity 120 member B

AlphaFold DB , UniProt , Accession A0A087YAK6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 689 aa.

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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
1M51.3Low75.3Confident96 Ų9650.7 Ų50.747%0.47329%0.286SS..  0-38.50-80.5-63.5-68.600117.1C3 L4 D45 L88 A93M1-C3 PolarHBondContact O-N 3.22Å; M1-L4 HydrophobicContact CE-CD1 4.27Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L4 HydrophobicContact SD-CD1 3.76Å; M1-D45 PolarHBondContact N-OD2 3.44Å; M1-L88 HydrophobicContact CE-CD1 3.62Å; M1-A93 HydrophobicContact SD-CB 3.72Å
2S62.1Low76.1Confident55 Ų5549.1 Ų49.139%0.38528%0.276SS..THydrogen-bonded Turntrans-52.1-44.3-165.545.10000116.3L4 C5S2-L4 VanDerWaalsContact C-N 3.31Å; S2-L4 PolarHBondContact O-N 3.43Å; S2-C5 PolarHBondContact O-N 3.11Å
3C73.1Confident77.1Confident24 Ų2446.5 Ų46.516%0.16226%0.259CS..THydrogen-bonded Turntrans-66.2-28.4-177.9-57.30000114M1 C5 H6 W7 V148M1-C3 PolarHBondContact O-N 3.22Å; C3-C5 VanDerWaalsContact C-N 3.27Å; C3-C5 PolarHBondContact O-N 3.39Å; C3-H6 PolarHBondContact O-N 2.78Å; C3-W7 HydrophobicContact CB-CD2 4.46Å; C3-W7 HydrophobicContact CB-CH2 3.81Å; C3-W7 HydrophobicContact CB-CZ2 3.46Å; C3-W7 VanDerWaalsContact CB-CZ2 3.46Å; C3-W7 HydrophobicContact CB-CZ3 4.47Å; C3-W7 PolarHBondContact O-N 2.97Å; C3-V148 HydrophobicContact CB-CG2 4.46Å
4L79.1Confident78.2Confident4 Ų443.2 Ų43.22%0.02124%0.241CC..Hα-helixtrans-61.4-35.1-179.7-63.9174.1000112.4M1 S2 H6 W7 Y8 F44 L88 L92 A93 T96M1-L4 HydrophobicContact CE-CD1 4.27Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L4 HydrophobicContact SD-CD1 3.76Å; S2-L4 VanDerWaalsContact C-N 3.31Å; S2-L4 PolarHBondContact O-N 3.43Å; L4-H6 PolarHBondContact O-N 3.45Å; L4-W7 HydrophobicContact CD2-CE3 3.71Å; L4-W7 HydrophobicContact CD2-CZ3 3.75Å; L4-W7 PolarHBondContact O-N 2.8Å; L4-Y8 PolarHBondContact O-N 3.31Å; L4-F44 HydrophobicContact CD2-CE1 4.34Å; L4-L88 HydrophobicContact CB-CD1 3.81Å; L4-L92 HydrophobicContact CB-CD2 4.37Å; L4-A93 HydrophobicContact CD1-CB 3.73Å; L4-T96 HydrophobicContact CD2-CG2 3.68Å
5C75.9Confident79.1Confident79 Ų7940.3 Ų40.353%0.53423%0.225SC..Hα-helixtrans-64-19.5175.4-61.80000113.5S2 C3S2-C5 PolarHBondContact O-N 3.11Å; C3-C5 VanDerWaalsContact C-N 3.27Å; C3-C5 PolarHBondContact O-N 3.39Å
6H76.8Confident79.8Confident93 Ų9337.8 Ų37.843%0.43121%0.211SC..Hα-helixtrans-98.8-22177.1-63.3-68.9000113C3 L4 V148C3-H6 PolarHBondContact O-N 2.78Å; L4-H6 PolarHBondContact O-N 3.45Å; H6-V148 HydrophobicContact CB-CG2 4.35Å
7W79.4Confident80.5Confident14 Ų1435.6 Ų35.65%0.05320%0.198CC..Hα-helixtrans-86.8-36.6175.9-56-26.5000113C3 L4 S9 Y22 V25 L26 W29 F42 T96 L100C3-W7 HydrophobicContact CB-CD2 4.46Å; C3-W7 HydrophobicContact CB-CH2 3.81Å; C3-W7 HydrophobicContact CB-CZ2 3.46Å; C3-W7 VanDerWaalsContact CB-CZ2 3.46Å; C3-W7 HydrophobicContact CB-CZ3 4.47Å; C3-W7 PolarHBondContact O-N 2.97Å; L4-W7 HydrophobicContact CD2-CE3 3.71Å; L4-W7 HydrophobicContact CD2-CZ3 3.75Å; L4-W7 PolarHBondContact O-N 2.8Å; W7-S9 PolarHBondContact O-N 3.29Å; W7-Y22 HydrophobicContact CB-CE2 4.16Å; W7-V25 VanDerWaalsContact O-CG1 3.29Å; W7-V25 WeakPolarHBondContact O-CG1 3.14Å; W7-L26 HydrophobicContact CB-CD2 4.11Å; W7-L26 HydrophobicContact CD2-CD2 4.13Å; W7-L26 HydrophobicContact CE3-CD2 3.86Å; W7-L26 HydrophobicContact CG-CD2 4.24Å; W7-W29 AromaticContact CD1-CD1 3.97Å; W7-W29 AromaticContact CD1-CE2 3.86Å; W7-W29 AromaticContact CD1-NE1 3.67Å; W7-W29 HydrophobicContact CZ2-CH2 4.26Å; W7-W29 HydrophobicContact CZ2-CZ2 4.48Å; W7-W29 AromaticContact NE1-CD2 3.86Å; W7-W29 AromaticContact NE1-CE2 3.32Å; W7-W29 VanDerWaalsContact NE1-CE2 3.32Å; W7-W29 AromaticContact NE1-CZ2 3.41Å; W7-W29 AromaticContact NE1-NE1 3.59Å; W7-F42 AromaticContact CH2-CD1 3.63Å; W7-F42 HydrophobicContact CH2-CD1 3.63Å; W7-F42 AromaticContact CH2-CE1 3.52Å; W7-F42 HydrophobicContact CH2-CE1 3.52Å; W7-F42 HydrophobicContact CZ2-CD1 4.13Å; W7-F42 AromaticContact CZ2-CE1 3.64Å; W7-F42 HydrophobicContact CZ2-CE1 3.64Å; W7-F42 HydrophobicContact CZ3-CE1 4.46Å; W7-T96 HydrophobicContact CE3-CG2 4.17Å; W7-T96 HydrophobicContact CZ3-CG2 3.97Å; W7-L100 HydrophobicContact CH2-CD1 4.4Å; W7-L100 HydrophobicContact CZ3-CD1 4.14Å
8Y83.2Confident81.3Confident21 Ų2133.7 Ų33.78%0.08219%0.188CC..  trans-81.291.5-179.4-165-82.5000111.2L4 C10 W13 G17 Q18 Y22 L88 P89 L92L4-Y8 PolarHBondContact O-N 3.31Å; Y8-C10 HydrophobicContact CE1-CB 3.84Å; Y8-C10 HydrophobicContact CE2-CB 4.26Å; Y8-W13 HydrophobicContact CE1-CB 3.78Å; Y8-G17 WeakPolarHBondContact OH-CA 3.47Å; Y8-Q18 PolarHBondContact OH-N 3.04Å; Y8-Y22 AromaticContact CD2-CD2 3.63Å; Y8-Y22 HydrophobicContact CD2-CD2 3.63Å; Y8-Y22 HydrophobicContact CD2-CE2 4.03Å; Y8-Y22 AromaticContact CD2-CG 3.97Å; Y8-Y22 HydrophobicContact CD2-CG 3.97Å; Y8-Y22 HydrophobicContact CE2-CD2 4.33Å; Y8-Y22 HydrophobicContact CE2-CG 4.27Å; Y8-Y22 HydrophobicContact CG-CD2 4.47Å; Y8-L88 HydrophobicContact CG-CD2 4.37Å; Y8-P89 HydrophobicContact CD1-CG 4.41Å; Y8-P89 HydrophobicContact CD2-CG 4.27Å; Y8-P89 HydrophobicContact CE1-CG 3.89Å; Y8-P89 HydrophobicContact CE2-CG 3.69Å; Y8-P89 VanDerWaalsContact CZ-CG 3.48Å; Y8-L92 HydrophobicContact CD2-CD1 3.72Å; Y8-L92 HydrophobicContact CD2-CD2 3.93Å; Y8-L92 HydrophobicContact CE2-CD1 4.17Å; Y8-L92 HydrophobicContact CG-CD2 4.07Å
9S82.6Confident82Confident75 Ų7531.9 Ų31.952%0.52418%0.178SC..  trans-104.23.5179.159.10000114.5W7 M11W7-S9 PolarHBondContact O-N 3.29Å; S9-M11 WeakPolarHBondContact O-CE 3.46Å
10C81.9Confident82.6Confident2 Ų232.6 Ų32.61%0.01418%0.18CC..  trans-70.5139.7-172.1-41.30000112.1Y8 Q18 E21Y8-C10 HydrophobicContact CE1-CB 3.84Å; Y8-C10 HydrophobicContact CE2-CB 4.26Å; C10-Q18 HydrophobicContact CB-CB 3.93Å; C10-Q18 HydrophobicContact CB-CG 4.07Å; C10-E21 HydrophobicContact CB-CG 4.14Å
11M83.2Confident83.1Confident95 Ų9532.5 Ų32.547%0.46818%0.179SC..SBendtrans-72.7163.2174.1-62.7-6398.700111.7S9 W13 Q18S9-M11 WeakPolarHBondContact O-CE 3.46Å; M11-W13 VanDerWaalsContact C-N 3.33Å; M11-W13 PolarHBondContact O-N 2.91Å; M11-Q18 WeakPolarHBondContact O-CG 3.46Å
12N84.6Confident85.1Confident31 Ų3128 Ų2817%0.16616%0.156CC..  trans58.742.7-177.8-57.6-13000112.4V14 C15 Q18 R524N12-V14 PolarHBondContact O-N 3.21Å; N12-C15 PolarHBondContact O-N 3.02Å; N12-Q18 PolarHBondContact O-NE2 3.27Å; N12-R524 HydrophobicContact CB-CG 4Å
13W89.3Confident86.7Confident16 Ų1626.4 Ų26.46%0.06114%0.143CC..G310 helixtrans-61.6-28.9-178.855.3-93.9000113Y8 M11 C15 I70 P81 L85 C87Y8-W13 HydrophobicContact CE1-CB 3.78Å; M11-W13 VanDerWaalsContact C-N 3.33Å; M11-W13 PolarHBondContact O-N 2.91Å; W13-C15 PolarHBondContact O-N 2.75Å; W13-I70 HydrophobicContact CH2-CD1 3.71Å; W13-I70 HydrophobicContact CH2-CG1 4.03Å; W13-I70 HydrophobicContact CH2-CG2 4.24Å; W13-I70 HydrophobicContact CZ3-CD1 4.07Å; W13-P81 HydrophobicContact CH2-CG 4.21Å; W13-P81 HydrophobicContact CZ2-CG 4.02Å; W13-L85 WeakPolarHBondContact CH2-O 3.23Å; W13-C87 HydrophobicContact CZ3-CB 4.15Å; W13-C87 VanDerWaalsContact CZ3-SG 3.5Å
14V92.2Very high87.6Confident0 Ų029.4 Ų29.40%016%0.155CC..G310 helixtrans-62.2-24.2176-67.50000113.7N12 G16 I70 I74 Q80 L322 L481 V486N12-V14 PolarHBondContact O-N 3.21Å; V14-G16 PolarHBondContact O-N 3.17Å; V14-I70 HydrophobicContact CG1-CG2 3.98Å; V14-I74 HydrophobicContact CG1-CD1 4.34Å; V14-Q80 HydrophobicContact CG1-CB 4.45Å; V14-Q80 HydrophobicContact CG2-CB 3.96Å; V14-L322 HydrophobicContact CB-CD1 4.11Å; V14-L322 HydrophobicContact CG1-CD1 4.32Å; V14-L322 WeakPolarHBondContact O-CD1 3.42Å; V14-L481 HydrophobicContact CG2-CD1 3.68Å; V14-V486 HydrophobicContact CB-CG1 4.35Å; V14-V486 HydrophobicContact CB-CG2 4.03Å; V14-V486 HydrophobicContact CG2-CG2 4.08Å; V14-V486 WeakPolarHBondContact O-CG1 3.49Å
15C92.4Very high88.2Confident0 Ų030.9 Ų30.90%016%0.164CC..G310 helixtrans-77.721.3-172.5-560000114.5N12 W13 G523 H527N12-C15 PolarHBondContact O-N 3.02Å; W13-C15 PolarHBondContact O-N 2.75Å; C15-G523 WeakPolarHBondContact CB-O 3.28Å; C15-G523 WeakPolarHBondContact O-CA 3.4Å; C15-H527 HydrophobicContact CB-CB 4.44Å
16G89.7Confident89.1Confident0 Ų027.2 Ų27.20%014%0.139CC..THydrogen-bonded Turntrans85.57.7-172.800000114.8V14 W19V14-G16 PolarHBondContact O-N 3.17Å; G16-W19 PolarHBondContact O-NE1 3.43Å
17G92.1Very high89.9Confident0 Ų026 Ų260%013%0.132CC..  trans92.8152.3175.800000115.4Y8 G523Y8-G17 WeakPolarHBondContact OH-CA 3.47Å; G17-G523 WeakPolarHBondContact O-CA 3.35Å; G17-G523 PolarHBondContact O-N 3.32Å
18Q94.1Very high90.5Very high1 Ų131.3 Ų31.31%0.00516%0.158CC..  trans-108.184-177.3-47.7-48.2-40.800109.1Y8 C10 M11 N12 E21 Y22 D522Y8-Q18 PolarHBondContact OH-N 3.04Å; C10-Q18 HydrophobicContact CB-CB 3.93Å; C10-Q18 HydrophobicContact CB-CG 4.07Å; M11-Q18 WeakPolarHBondContact O-CG 3.46Å; N12-Q18 PolarHBondContact O-NE2 3.27Å; Q18-E21 HydrophobicContact CB-CB 3.91Å; Q18-E21 PolarHBondContact O-N 3.01Å; Q18-Y22 WeakPolarHBondContact O-CB 3.36Å; Q18-Y22 PolarHBondContact O-N 3.48Å; Q18-D522 PolarHBondContact OE1-OD1 3.44Å
19W94.7Very high90.9Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-75.4-36.3-160.3-64.194.7000113.6G16 Y22 M23 P89 L92 F95 V493 P517 W518 F521G16-W19 PolarHBondContact O-NE1 3.43Å; W19-Y22 HydrophobicContact CE3-CD1 4.44Å; W19-Y22 PolarHBondContact O-N 3.34Å; W19-M23 WeakPolarHBondContact O-CG 3.46Å; W19-M23 PolarHBondContact O-N 2.86Å; W19-P89 HydrophobicContact CZ2-CB 4.46Å; W19-L92 HydrophobicContact CH2-CB 4.43Å; W19-L92 HydrophobicContact CH2-CD1 3.98Å; W19-L92 HydrophobicContact CZ3-CD1 3.78Å; W19-F95 HydrophobicContact CH2-CB 4.34Å; W19-F95 AromaticContact CH2-CD2 3.82Å; W19-F95 HydrophobicContact CH2-CD2 3.82Å; W19-F95 HydrophobicContact CZ3-CB 3.86Å; W19-F95 HydrophobicContact CZ3-CD2 4.15Å; W19-F95 HydrophobicContact CZ3-CG 4.4Å; W19-V493 HydrophobicContact CH2-CG1 4.48Å; W19-V493 HydrophobicContact CZ2-CG1 3.67Å; W19-P517 HydrophobicContact CB-CB 3.94Å; W19-P517 HydrophobicContact CD2-CB 3.25Å; W19-P517 HydrophobicContact CD2-CG 3.88Å; W19-P517 HydrophobicContact CE3-CB 3.67Å; W19-P517 HydrophobicContact CE3-CG 3.88Å; W19-P517 HydrophobicContact CG-CB 3.35Å; W19-P517 HydrophobicContact CG-CG 4.45Å; W19-P517 HydrophobicContact CH2-CG 4.11Å; W19-P517 HydrophobicContact CZ2-CB 4.23Å; W19-P517 HydrophobicContact CZ2-CG 4.15Å; W19-P517 HydrophobicContact CZ3-CB 4.28Å; W19-P517 HydrophobicContact CZ3-CG 3.99Å; W19-W518 HydrophobicContact CB-CB 4.04Å; W19-F521 AromaticContact CD1-CD1 3.97Å; W19-F521 AromaticContact NE1-CD1 3.95Å
20M94Very high91.5Very high46 Ų4628.4 Ų28.423%0.22714%0.136CC..Hα-helixtrans-69.3-36.2173.1-74.9-73-87.400112.1E24 P470 L473 W518M20-E24 PolarHBondContact O-N 2.85Å; M20-P470 HydrophobicContact CE-CG 4.17Å; M20-L473 HydrophobicContact CB-CD1 3.7Å; M20-L473 HydrophobicContact CG-CD1 3.95Å; M20-W518 HydrophobicContact CG-CB 4.33Å; M20-W518 HydrophobicContact SD-CB 4.05Å; M20-W518 VanDerWaalsContact SD-O 3.42Å
21E93.4Very high92.1Very high31 Ų3133 Ų3315%0.14516%0.157CC..Hα-helixtrans-65.2-45.1173.2-172.9174.7-172.800110.6C10 Q18 M23 E24 V25 R474 R524C10-E21 HydrophobicContact CB-CG 4.14Å; Q18-E21 HydrophobicContact CB-CB 3.91Å; Q18-E21 PolarHBondContact O-N 3.01Å; E21-M23 PolarHBondContact O-N 3.33Å; E21-E24 PolarHBondContact O-N 3.45Å; E21-V25 WeakPolarHBondContact O-CG2 3.41Å; E21-V25 PolarHBondContact O-N 3.4Å; E21-V25 VanDerWaalsContact O-N 3.09Å; E21-R474 HydrophobicContact CB-CG 4.48Å; E21-R474 VanDerWaalsContact CD-CG 3.5Å; E21-R474 HydrophobicContact CG-CG 4.01Å; E21-R474 WeakPolarHBondContact OE1-CD 3.3Å; E21-R524 IonicContact OE1-NH2 3.41Å; E21-R524 IonicContact OE2-CZ 3.22Å; E21-R524 IonicContact OE2-NH2 2.75Å; E21-R524 PolarHBondContact OE2-NH2 3.25Å
22Y94.1Very high92.6Very high0 Ų030.5 Ų30.50%015%0.147CC..Hα-helixtrans-62.9-38.4177.5-179.3-124.5000113.2W7 Y8 Q18 W19 E24 V25 L26 L92 T96W7-Y22 HydrophobicContact CB-CE2 4.16Å; Y8-Y22 AromaticContact CD2-CD2 3.63Å; Y8-Y22 HydrophobicContact CD2-CD2 3.63Å; Y8-Y22 HydrophobicContact CD2-CE2 4.03Å; Y8-Y22 AromaticContact CD2-CG 3.97Å; Y8-Y22 HydrophobicContact CD2-CG 3.97Å; Y8-Y22 HydrophobicContact CE2-CD2 4.33Å; Y8-Y22 HydrophobicContact CE2-CG 4.27Å; Y8-Y22 HydrophobicContact CG-CD2 4.47Å; Q18-Y22 WeakPolarHBondContact O-CB 3.36Å; Q18-Y22 PolarHBondContact O-N 3.48Å; W19-Y22 HydrophobicContact CE3-CD1 4.44Å; W19-Y22 PolarHBondContact O-N 3.34Å; Y22-E24 PolarHBondContact O-N 2.78Å; Y22-V25 PolarHBondContact O-N 2.7Å; Y22-L26 HydrophobicContact CD1-CD1 4.06Å; Y22-L26 HydrophobicContact CD2-CG 4.22Å; Y22-L26 HydrophobicContact CE1-CD1 3.56Å; Y22-L26 HydrophobicContact CE1-CG 4.15Å; Y22-L26 HydrophobicContact CE2-CD1 4.18Å; Y22-L26 HydrophobicContact CE2-CD2 3.92Å; Y22-L26 HydrophobicContact CE2-CG 3.84Å; Y22-L26 WeakPolarHBondContact O-CG 3.35Å; Y22-L26 PolarHBondContact O-N 3.18Å; Y22-L92 HydrophobicContact CD1-CD1 3.83Å; Y22-L92 HydrophobicContact CE1-CD1 3.49Å; Y22-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y22-L92 HydrophobicContact CE1-CG 4.3Å; Y22-L92 HydrophobicContact CE2-CD1 4.4Å; Y22-L92 HydrophobicContact CG-CD1 4.4Å; Y22-T96 HydrophobicContact CE1-CG2 4.45Å; Y22-T96 WeakPolarHBondContact CE1-OG1 3.47Å; Y22-T96 WeakPolarHBondContact OH-CG2 3.4Å; Y22-T96 PolarHBondContact OH-OG1 3.44Å
23M94.3Very high93Very high22 Ų2229.8 Ų29.811%0.10814%0.143CC..Hα-helixtrans-60.4-42.6174.6-77.3-58.4-64.100112.5W19 E21 L26 K27 A99 S102 L103 W518W19-M23 WeakPolarHBondContact O-CG 3.46Å; W19-M23 PolarHBondContact O-N 2.86Å; E21-M23 PolarHBondContact O-N 3.33Å; M23-L26 PolarHBondContact O-N 3.01Å; M23-K27 VanDerWaalsContact O-CB 3.23Å; M23-K27 WeakPolarHBondContact O-CB 3.43Å; M23-K27 PolarHBondContact O-N 2.92Å; M23-A99 HydrophobicContact CE-CB 4.29Å; M23-A99 HydrophobicContact SD-CB 3.47Å; M23-A99 WeakPolarHBondContact SD-CB 3.45Å; M23-S102 WeakPolarHBondContact CE-OG 3.37Å; M23-L103 HydrophobicContact CE-CD2 4.46Å; M23-L103 HydrophobicContact CE-CG 4.39Å; M23-W518 HydrophobicContact CE-CZ2 4.38Å; M23-W518 HydrophobicContact CG-CB 3.88Å; M23-W518 HydrophobicContact CG-CD2 3.73Å; M23-W518 HydrophobicContact CG-CE3 4.03Å; M23-W518 HydrophobicContact CG-CG 3.67Å; M23-W518 HydrophobicContact SD-CD2 3.71Å; M23-W518 HydrophobicContact SD-CE3 3.78Å; M23-W518 HydrophobicContact SD-CG 4.26Å; M23-W518 HydrophobicContact SD-CH2 4.19Å; M23-W518 HydrophobicContact SD-CZ2 4.09Å; M23-W518 HydrophobicContact SD-CZ3 4.03Å
24E93.1Very high93.3Very high88 Ų8832 Ų3241%0.41116%0.158SC..Hα-helixtrans-68.1-35.7176-73.7-68117.300112M20 E21 Y22 K27 Q28 P470M20-E24 PolarHBondContact O-N 2.85Å; E21-E24 PolarHBondContact O-N 3.45Å; Y22-E24 PolarHBondContact O-N 2.78Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 IonicContact OE1-NZ 3.22Å; E24-K27 PolarHBondContact OE1-NZ 3.11Å; E24-K27 IonicContact OE2-NZ 2.77Å; E24-Q28 WeakPolarHBondContact O-CB 3.48Å; E24-Q28 PolarHBondContact O-N 3.07Å; E24-P470 HydrophobicContact CG-CB 4.4Å; E24-P470 HydrophobicContact CG-CG 4.27Å
25V92Very high93.4Very high34 Ų3437 Ų3721%0.20619%0.193CC..Hα-helixtrans-64.3-46.9173.7175.50000111.6W7 E21 Y22 K27 Q28 W29W7-V25 VanDerWaalsContact O-CG1 3.29Å; W7-V25 WeakPolarHBondContact O-CG1 3.14Å; E21-V25 WeakPolarHBondContact O-CG2 3.41Å; E21-V25 PolarHBondContact O-N 3.4Å; E21-V25 VanDerWaalsContact O-N 3.09Å; Y22-V25 PolarHBondContact O-N 2.7Å; V25-K27 VanDerWaalsContact C-N 3.35Å; V25-K27 PolarHBondContact O-N 3.38Å; V25-Q28 PolarHBondContact O-N 3.16Å; V25-W29 WeakPolarHBondContact O-CB 3.24Å; V25-W29 PolarHBondContact O-N 3.08Å
26L93.8Very high93.6Very high2 Ų239.9 Ų39.91%0.0122%0.217CC..Hα-helixtrans-61.8-42.8176.1-73.6-179.3000111.9W7 Y22 M23 W29 V30 T96 A99 L100 L103W7-L26 HydrophobicContact CB-CD2 4.11Å; W7-L26 HydrophobicContact CD2-CD2 4.13Å; W7-L26 HydrophobicContact CE3-CD2 3.86Å; W7-L26 HydrophobicContact CG-CD2 4.24Å; Y22-L26 HydrophobicContact CD1-CD1 4.06Å; Y22-L26 HydrophobicContact CD2-CG 4.22Å; Y22-L26 HydrophobicContact CE1-CD1 3.56Å; Y22-L26 HydrophobicContact CE1-CG 4.15Å; Y22-L26 HydrophobicContact CE2-CD1 4.18Å; Y22-L26 HydrophobicContact CE2-CD2 3.92Å; Y22-L26 HydrophobicContact CE2-CG 3.84Å; Y22-L26 WeakPolarHBondContact O-CG 3.35Å; Y22-L26 PolarHBondContact O-N 3.18Å; M23-L26 PolarHBondContact O-N 3.01Å; L26-W29 WeakPolarHBondContact O-CB 3.45Å; L26-W29 PolarHBondContact O-N 3.24Å; L26-V30 WeakPolarHBondContact O-CB 3.44Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3.1Å; L26-T96 HydrophobicContact CD1-CG2 4.2Å; L26-A99 HydrophobicContact CD1-CB 3.64Å; L26-L100 HydrophobicContact CD2-CD2 4.29Å; L26-L103 HydrophobicContact CB-CD1 3.78Å
27K94.1Very high93.8Very high69 Ų6943.1 Ų43.130%0.325%0.251SS..Hα-helixtrans-60.8-50176.8176.8-179159.3-155.20111.4M23 E24 V25 W29 V30 E31 L103M23-K27 VanDerWaalsContact O-CB 3.23Å; M23-K27 WeakPolarHBondContact O-CB 3.43Å; M23-K27 PolarHBondContact O-N 2.92Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 IonicContact OE1-NZ 3.22Å; E24-K27 PolarHBondContact OE1-NZ 3.11Å; E24-K27 IonicContact OE2-NZ 2.77Å; V25-K27 VanDerWaalsContact C-N 3.35Å; V25-K27 PolarHBondContact O-N 3.38Å; K27-W29 VanDerWaalsContact C-N 3.27Å; K27-W29 PolarHBondContact O-N 3.43Å; K27-V30 PolarHBondContact O-N 3.38Å; K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.31Å; K27-E31 WeakPolarHBondContact CG-OE1 3.46Å; K27-E31 WeakPolarHBondContact O-CB 3.37Å; K27-E31 VanDerWaalsContact O-CG 3.3Å; K27-E31 WeakPolarHBondContact O-CG 3.2Å; K27-E31 PolarHBondContact O-N 3.43Å; K27-L103 HydrophobicContact CB-CD1 4.27Å; K27-L103 HydrophobicContact CB-CD2 3.85Å; K27-L103 HydrophobicContact CG-CD2 4.11Å
28Q92.6Very high93.9Very high125 Ų12545.5 Ų45.558%0.58426%0.263SS*.Hα-helixtrans-59.5-39.6176.4-174.1179.41500111.8E24 V25 T32E24-Q28 WeakPolarHBondContact O-CB 3.48Å; E24-Q28 PolarHBondContact O-N 3.07Å; V25-Q28 PolarHBondContact O-N 3.16Å; Q28-T32 WeakPolarHBondContact O-CB 3.5Å; Q28-T32 PolarHBondContact O-N 3.09Å; Q28-T32 PolarHBondContact O-OG1 2.74Å
29W91.4Very high94Very high27 Ų2752.3 Ų52.310%0.10229%0.292CS..Hα-helixtrans-61.5-52.1176.7-162.492.7000111.1W7 V25 L26 K27 T32 F33 L40 F42 L131 L151 I153W7-W29 AromaticContact CD1-CD1 3.97Å; W7-W29 AromaticContact CD1-CE2 3.86Å; W7-W29 AromaticContact CD1-NE1 3.67Å; W7-W29 HydrophobicContact CZ2-CH2 4.26Å; W7-W29 HydrophobicContact CZ2-CZ2 4.48Å; W7-W29 AromaticContact NE1-CD2 3.86Å; W7-W29 AromaticContact NE1-CE2 3.32Å; W7-W29 VanDerWaalsContact NE1-CE2 3.32Å; W7-W29 AromaticContact NE1-CZ2 3.41Å; W7-W29 AromaticContact NE1-NE1 3.59Å; V25-W29 WeakPolarHBondContact O-CB 3.24Å; V25-W29 PolarHBondContact O-N 3.08Å; L26-W29 WeakPolarHBondContact O-CB 3.45Å; L26-W29 PolarHBondContact O-N 3.24Å; K27-W29 VanDerWaalsContact C-N 3.27Å; K27-W29 PolarHBondContact O-N 3.43Å; W29-T32 PolarHBondContact O-N 3.31Å; W29-F33 HydrophobicContact CD2-CD2 4.08Å; W29-F33 AromaticContact CD2-CE2 3.91Å; W29-F33 HydrophobicContact CD2-CE2 3.91Å; W29-F33 AromaticContact CE2-CE2 3.54Å; W29-F33 AromaticContact CE3-CD2 3.95Å; W29-F33 HydrophobicContact CE3-CD2 3.95Å; W29-F33 HydrophobicContact CE3-CE2 4.09Å; W29-F33 HydrophobicContact CH2-CD2 4.09Å; W29-F33 AromaticContact CH2-CE2 3.61Å; W29-F33 HydrophobicContact CH2-CE2 3.61Å; W29-F33 HydrophobicContact CH2-CZ 4.08Å; W29-F33 HydrophobicContact CZ2-CD2 4.22Å; W29-F33 AromaticContact CZ2-CE2 3.4Å; W29-F33 HydrophobicContact CZ2-CE2 3.4Å; W29-F33 VanDerWaalsContact CZ2-CE2 3.4Å; W29-F33 AromaticContact CZ2-CZ 3.93Å; W29-F33 HydrophobicContact CZ2-CZ 3.93Å; W29-F33 AromaticContact CZ3-CD2 3.95Å; W29-F33 HydrophobicContact CZ3-CD2 3.95Å; W29-F33 AromaticContact CZ3-CE2 3.95Å; W29-F33 HydrophobicContact CZ3-CE2 3.95Å; W29-F33 WeakPolarHBondContact O-CD2 3.31Å; W29-F33 PolarHBondContact O-N 3.37Å; W29-L40 HydrophobicContact CE3-CD1 3.9Å; W29-L40 HydrophobicContact CH2-CD2 3.95Å; W29-L40 HydrophobicContact CZ3-CD1 3.49Å; W29-L40 VanDerWaalsContact CZ3-CD1 3.49Å; W29-L40 HydrophobicContact CZ3-CD2 3.7Å; W29-L40 HydrophobicContact CZ3-CG 4.2Å; W29-F42 HydrophobicContact CE3-CZ 4.33Å; W29-F42 HydrophobicContact CH2-CE1 4.37Å; W29-F42 AromaticContact CZ3-CE1 3.84Å; W29-F42 HydrophobicContact CZ3-CE1 3.84Å; W29-F42 AromaticContact CZ3-CZ 3.69Å; W29-F42 HydrophobicContact CZ3-CZ 3.69Å; W29-L131 HydrophobicContact CH2-CD2 3.95Å; W29-L131 HydrophobicContact CZ2-CD2 3.89Å; W29-L151 HydrophobicContact CZ2-CD2 4.21Å; W29-I153 HydrophobicContact CG-CD1 4.12Å
30V93.7Very high93.9Very high8 Ų853.1 Ų53.15%0.04830%0.297CS..Hα-helixtrans-59.6-46.2176.3165.60000112.1L26 K27 T32 F33 T34 L40 L100 L103 Q105L26-V30 WeakPolarHBondContact O-CB 3.44Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3.1Å; K27-V30 PolarHBondContact O-N 3.38Å; V30-T32 VanDerWaalsContact C-N 3.27Å; V30-T32 PolarHBondContact O-N 3.48Å; V30-F33 PolarHBondContact O-N 3.27Å; V30-T34 HydrophobicContact CG1-CG2 4.2Å; V30-T34 WeakPolarHBondContact O-CB 3.47Å; V30-T34 WeakPolarHBondContact O-CG2 3.11Å; V30-T34 PolarHBondContact O-N 3.17Å; V30-T34 PolarHBondContact O-OG1 2.6Å; V30-L40 HydrophobicContact CG2-CD1 4.28Å; V30-L100 HydrophobicContact CG2-CD2 4.22Å; V30-L103 HydrophobicContact CG2-CD1 4.44Å; V30-Q105 VanDerWaalsContact CG1-CD 3.41Å; V30-Q105 HydrophobicContact CG1-CG 4.07Å; V30-Q105 HydrophobicContact CG2-CG 3.81Å
31E94.5Very high94Very high97 Ų9753 Ų5345%0.45330%0.298SS..Hα-helixtrans-60.7-36178.3-76.5174.7175.800111.6K27 T34 S35K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.31Å; K27-E31 WeakPolarHBondContact CG-OE1 3.46Å; K27-E31 WeakPolarHBondContact O-CB 3.37Å; K27-E31 VanDerWaalsContact O-CG 3.3Å; K27-E31 WeakPolarHBondContact O-CG 3.2Å; K27-E31 PolarHBondContact O-N 3.43Å; E31-T34 WeakPolarHBondContact CA-OG1 3.25Å; E31-T34 PolarHBondContact O-OG1 3.02Å; E31-S35 WeakPolarHBondContact O-CB 3.44Å; E31-S35 PolarHBondContact O-N 3.35Å; E31-S35 PolarHBondContact O-OG 2.84Å
32T94.3Very high94Very high43 Ų4352.2 Ų52.226%0.26429%0.294SS..Hα-helixtrans-65.5-46.3178.5-54.60000111.9Q28 W29 V30 A36 I153 L156Q28-T32 WeakPolarHBondContact O-CB 3.5Å; Q28-T32 PolarHBondContact O-N 3.09Å; Q28-T32 PolarHBondContact O-OG1 2.74Å; W29-T32 PolarHBondContact O-N 3.31Å; V30-T32 VanDerWaalsContact C-N 3.27Å; V30-T32 PolarHBondContact O-N 3.48Å; T32-A36 PolarHBondContact O-N 2.88Å; T32-I153 HydrophobicContact CG2-CD1 4.08Å; T32-I153 HydrophobicContact CG2-CG1 4.14Å; T32-L156 HydrophobicContact CG2-CD2 3.99Å; T32-L156 HydrophobicContact CG2-CG 4.26Å
33F94Very high94Very high16 Ų1653.8 Ų53.87%0.0730%0.301CS..Hα-helixtrans-69.7-45.9177.6-82.4-88.1000112.5W29 V30 S35 A36 G37 I38 L40 L131 L151 I153 L156W29-F33 HydrophobicContact CD2-CD2 4.08Å; W29-F33 AromaticContact CD2-CE2 3.91Å; W29-F33 HydrophobicContact CD2-CE2 3.91Å; W29-F33 AromaticContact CE2-CE2 3.54Å; W29-F33 AromaticContact CE3-CD2 3.95Å; W29-F33 HydrophobicContact CE3-CD2 3.95Å; W29-F33 HydrophobicContact CE3-CE2 4.09Å; W29-F33 HydrophobicContact CH2-CD2 4.09Å; W29-F33 AromaticContact CH2-CE2 3.61Å; W29-F33 HydrophobicContact CH2-CE2 3.61Å; W29-F33 HydrophobicContact CH2-CZ 4.08Å; W29-F33 HydrophobicContact CZ2-CD2 4.22Å; W29-F33 AromaticContact CZ2-CE2 3.4Å; W29-F33 HydrophobicContact CZ2-CE2 3.4Å; W29-F33 VanDerWaalsContact CZ2-CE2 3.4Å; W29-F33 AromaticContact CZ2-CZ 3.93Å; W29-F33 HydrophobicContact CZ2-CZ 3.93Å; W29-F33 AromaticContact CZ3-CD2 3.95Å; W29-F33 HydrophobicContact CZ3-CD2 3.95Å; W29-F33 AromaticContact CZ3-CE2 3.95Å; W29-F33 HydrophobicContact CZ3-CE2 3.95Å; W29-F33 WeakPolarHBondContact O-CD2 3.31Å; W29-F33 PolarHBondContact O-N 3.37Å; V30-F33 PolarHBondContact O-N 3.27Å; F33-S35 VanDerWaalsContact C-N 3.35Å; F33-S35 PolarHBondContact O-N 3.01Å; F33-A36 CarbonylContact O-C 3.54Å; F33-A36 WeakPolarHBondContact O-CA 3.16Å; F33-A36 WeakPolarHBondContact O-CB 3.4Å; F33-A36 PolarHBondContact O-N 3.45Å; F33-A36 VanDerWaalsContact O-N 3.08Å; F33-G37 PolarHBondContact O-N 3.23Å; F33-I38 CarbonylContact C-O 3.59Å; F33-I38 HydrophobicContact CB-CB 4.33Å; F33-I38 HydrophobicContact CD1-CB 4.09Å; F33-I38 HydrophobicContact CD1-CD1 3.91Å; F33-I38 HydrophobicContact CD1-CG2 3.93Å; F33-I38 HydrophobicContact CE1-CD1 4.42Å; F33-I38 WeakPolarHBondContact O-CB 3.45Å; F33-I38 PolarHBondContact O-N 3.29Å; F33-L40 HydrophobicContact CB-CD1 3.63Å; F33-L40 HydrophobicContact CB-CD2 4.17Å; F33-L40 HydrophobicContact CB-CG 3.92Å; F33-L40 HydrophobicContact CD1-CD2 3.92Å; F33-L40 HydrophobicContact CD2-CD1 4.17Å; F33-L40 HydrophobicContact CD2-CD2 4.27Å; F33-L40 HydrophobicContact CE1-CD2 4.35Å; F33-L40 HydrophobicContact CG-CD1 3.99Å; F33-L40 HydrophobicContact CG-CD2 3.87Å; F33-L40 HydrophobicContact CG-CG 4.18Å; F33-L131 HydrophobicContact CZ-CD2 4.15Å; F33-L151 HydrophobicContact CE2-CD2 4.14Å; F33-L151 HydrophobicContact CZ-CD1 4.43Å; F33-L151 HydrophobicContact CZ-CD2 3.76Å; F33-I153 HydrophobicContact CD2-CD1 4.02Å; F33-I153 HydrophobicContact CE2-CD1 3.57Å; F33-I153 HydrophobicContact CZ-CD1 4.5Å; F33-L156 HydrophobicContact CD1-CD2 3.99Å; F33-L156 HydrophobicContact CD2-CD2 4.04Å; F33-L156 HydrophobicContact CE1-CD2 3.8Å; F33-L156 HydrophobicContact CE2-CD2 3.82Å; F33-L156 HydrophobicContact CG-CD2 4.12Å; F33-L156 HydrophobicContact CZ-CD2 3.71Å
34T94.2Very high93.9Very high63 Ų6353.9 Ų53.939%0.38730%0.301SS..Hα-helixtrans-67.2-34.5-178.1520000112.4V30 E31 A36 G37V30-T34 HydrophobicContact CG1-CG2 4.2Å; V30-T34 WeakPolarHBondContact O-CB 3.47Å; V30-T34 WeakPolarHBondContact O-CG2 3.11Å; V30-T34 PolarHBondContact O-N 3.17Å; V30-T34 PolarHBondContact O-OG1 2.6Å; E31-T34 WeakPolarHBondContact CA-OG1 3.25Å; E31-T34 PolarHBondContact O-OG1 3.02Å; T34-A36 PolarHBondContact O-N 3.44Å; T34-G37 PolarHBondContact O-N 3.35Å
35S95.1Very high93.7Very high106 Ų10654 Ų5474%0.74131%0.305SS*.Hα-helixtrans-65.4-26.6171.9-60.20000113.1E31 F33 G37E31-S35 WeakPolarHBondContact O-CB 3.44Å; E31-S35 PolarHBondContact O-N 3.35Å; E31-S35 PolarHBondContact O-OG 2.84Å; F33-S35 VanDerWaalsContact C-N 3.35Å; F33-S35 PolarHBondContact O-N 3.01Å; S35-G37 PolarHBondContact O-N 2.79Å
36A95.4Very high93.4Very high59 Ų5953.2 Ų53.249%0.48830%0.303SS..THydrogen-bonded Turntrans-83.44.8171.500000113.4T32 F33 T34 I38 L156T32-A36 PolarHBondContact O-N 2.88Å; F33-A36 CarbonylContact O-C 3.54Å; F33-A36 WeakPolarHBondContact O-CA 3.16Å; F33-A36 WeakPolarHBondContact O-CB 3.4Å; F33-A36 PolarHBondContact O-N 3.45Å; F33-A36 VanDerWaalsContact O-N 3.08Å; T34-A36 PolarHBondContact O-N 3.44Å; A36-I38 VanDerWaalsContact C-N 3.3Å; A36-I38 HydrophobicContact CB-CD1 4.36Å; A36-I38 HydrophobicContact CB-CG1 4.39Å; A36-I38 PolarHBondContact O-N 3.34Å; A36-L156 HydrophobicContact CB-CD1 3.44Å; A36-L156 VanDerWaalsContact CB-CD1 3.44Å
37G94.8Very high92.8Very high69 Ų6954.8 Ų54.871%0.71131%0.313SS*.THydrogen-bonded Turntrans7710.6-177.300000114.6F33 T34 S35F33-G37 PolarHBondContact O-N 3.23Å; T34-G37 PolarHBondContact O-N 3.35Å; S35-G37 PolarHBondContact O-N 2.79Å
38I94.9Very high92.2Very high50 Ų5053 Ų5326%0.25631%0.308SS..PPolyproline II helixtrans-89.9117.4-179.5-56.5172.6000109.1F33 A36 L156F33-I38 CarbonylContact C-O 3.59Å; F33-I38 HydrophobicContact CB-CB 4.33Å; F33-I38 HydrophobicContact CD1-CB 4.09Å; F33-I38 HydrophobicContact CD1-CD1 3.91Å; F33-I38 HydrophobicContact CD1-CG2 3.93Å; F33-I38 HydrophobicContact CE1-CD1 4.42Å; F33-I38 WeakPolarHBondContact O-CB 3.45Å; F33-I38 PolarHBondContact O-N 3.29Å; A36-I38 VanDerWaalsContact C-N 3.3Å; A36-I38 HydrophobicContact CB-CD1 4.36Å; A36-I38 HydrophobicContact CB-CG1 4.39Å; A36-I38 PolarHBondContact O-N 3.34Å; I38-L156 HydrophobicContact CD1-CD1 4.15Å
39K94.9Very high91.6Very high143 Ų14350.5 Ų50.562%0.62230%0.296SS*.PPolyproline II helixtrans-78128169-173.1-174176.8-1670109.5D106K39-D106 WeakPolarHBondContact CE-OD2 3.34Å; K39-D106 IonicContact NZ-OD2 3.47Å; K39-D106 PolarHBondContact NZ-OD2 3.3Å
40L93.6Very high91Very high18 Ų1855.4 Ų55.49%0.09432%0.32CS..PPolyproline II helixtrans-95.9143.1174.9-65.1161.1000110.4W29 V30 F33 F42W29-L40 HydrophobicContact CE3-CD1 3.9Å; W29-L40 HydrophobicContact CH2-CD2 3.95Å; W29-L40 HydrophobicContact CZ3-CD1 3.49Å; W29-L40 VanDerWaalsContact CZ3-CD1 3.49Å; W29-L40 HydrophobicContact CZ3-CD2 3.7Å; W29-L40 HydrophobicContact CZ3-CG 4.2Å; V30-L40 HydrophobicContact CG2-CD1 4.28Å; F33-L40 HydrophobicContact CB-CD1 3.63Å; F33-L40 HydrophobicContact CB-CD2 4.17Å; F33-L40 HydrophobicContact CB-CG 3.92Å; F33-L40 HydrophobicContact CD1-CD2 3.92Å; F33-L40 HydrophobicContact CD2-CD1 4.17Å; F33-L40 HydrophobicContact CD2-CD2 4.27Å; F33-L40 HydrophobicContact CE1-CD2 4.35Å; F33-L40 HydrophobicContact CG-CD1 3.99Å; F33-L40 HydrophobicContact CG-CD2 3.87Å; F33-L40 HydrophobicContact CG-CG 4.18Å; L40-F42 HydrophobicContact CB-CD2 4.46Å; L40-F42 HydrophobicContact CB-CE2 3.66Å; L40-F42 HydrophobicContact CB-CZ 3.96Å; L40-F42 HydrophobicContact CD1-CE2 4.39Å; L40-F42 HydrophobicContact CD1-CZ 4.07Å; L40-F42 HydrophobicContact CG-CZ 4.47Å
41V95Very high90.4Very high43 Ų4361.6 Ų61.626%0.26135%0.348SS..EExtended strand (participates in β ladder)trans-134.3132.5171.2-177.50000107.1F43 D106 F108 Y121V41-F43 HydrophobicContact CG1-CD2 4.4Å; V41-F43 HydrophobicContact CG1-CE2 3.85Å; V41-D106 HydrophobicContact CG1-CB 4.25Å; V41-D106 HydrophobicContact CG2-CB 4.27Å; V41-F108 HydrophobicContact CG1-CD2 3.84Å; V41-F108 HydrophobicContact CG1-CE2 3.65Å; V41-Y121 HydrophobicContact CB-CE1 4.24Å; V41-Y121 HydrophobicContact CG1-CD1 4.5Å; V41-Y121 HydrophobicContact CG1-CE1 3.98Å; V41-Y121 HydrophobicContact CG2-CE1 4.01Å
42F94.6Very high89.8Confident15 Ų1559.2 Ų59.27%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-117.5139.9-174.3-60.2-91.7000111.3W7 W29 L40 F44 L100 Q105 D106 V107 F108W7-F42 AromaticContact CH2-CD1 3.63Å; W7-F42 HydrophobicContact CH2-CD1 3.63Å; W7-F42 AromaticContact CH2-CE1 3.52Å; W7-F42 HydrophobicContact CH2-CE1 3.52Å; W7-F42 HydrophobicContact CZ2-CD1 4.13Å; W7-F42 AromaticContact CZ2-CE1 3.64Å; W7-F42 HydrophobicContact CZ2-CE1 3.64Å; W7-F42 HydrophobicContact CZ3-CE1 4.46Å; W29-F42 HydrophobicContact CE3-CZ 4.33Å; W29-F42 HydrophobicContact CH2-CE1 4.37Å; W29-F42 AromaticContact CZ3-CE1 3.84Å; W29-F42 HydrophobicContact CZ3-CE1 3.84Å; W29-F42 AromaticContact CZ3-CZ 3.69Å; W29-F42 HydrophobicContact CZ3-CZ 3.69Å; L40-F42 HydrophobicContact CB-CD2 4.46Å; L40-F42 HydrophobicContact CB-CE2 3.66Å; L40-F42 HydrophobicContact CB-CZ 3.96Å; L40-F42 HydrophobicContact CD1-CE2 4.39Å; L40-F42 HydrophobicContact CD1-CZ 4.07Å; L40-F42 HydrophobicContact CG-CZ 4.47Å; F42-F44 HydrophobicContact CB-CE2 4.05Å; F42-L100 HydrophobicContact CB-CD1 4.23Å; F42-L100 HydrophobicContact CD1-CD1 3.72Å; F42-L100 HydrophobicContact CD2-CD1 4.02Å; F42-L100 HydrophobicContact CE1-CD1 3.94Å; F42-L100 HydrophobicContact CE1-CD2 4.14Å; F42-L100 HydrophobicContact CE2-CD1 4.25Å; F42-L100 HydrophobicContact CE2-CD2 3.95Å; F42-L100 HydrophobicContact CG-CD1 3.73Å; F42-L100 HydrophobicContact CZ-CD1 4.18Å; F42-L100 HydrophobicContact CZ-CD2 3.71Å; F42-Q105 HydrophobicContact CD2-CB 3.95Å; F42-Q105 HydrophobicContact CE2-CB 3.72Å; F42-Q105 HydrophobicContact CE2-CG 3.85Å; F42-D106 PolarHBondContact N-O 3Å; F42-V107 HydrophobicContact CB-CG1 4.27Å; F42-V107 HydrophobicContact CB-CG2 4.26Å; F42-V107 HydrophobicContact CD2-CG2 4.31Å; F42-V107 CarbonylContact O-C 3.33Å; F42-V107 WeakPolarHBondContact O-CA 2.96Å; F42-F108 PolarHBondContact O-N 2.81Å
43F93.5Very high89.6Confident33 Ų3358 Ų5815%0.14533%0.327CS..EExtended strand (participates in β ladder)trans-119.8139.7172.1-76-100.6000109.4V41 F108 E117 I118 Y121 W683V41-F43 HydrophobicContact CG1-CD2 4.4Å; V41-F43 HydrophobicContact CG1-CE2 3.85Å; F43-F108 CarbonylContact C-O 3.58Å; F43-F108 WeakPolarHBondContact CA-O 3.4Å; F43-F108 HydrophobicContact CD1-CB 3.92Å; F43-F108 HydrophobicContact CE1-CB 3.84Å; F43-F108 HydrophobicContact CE1-CD2 4.2Å; F43-F108 HydrophobicContact CE1-CG 4.26Å; F43-F108 HydrophobicContact CE2-CD2 4.06Å; F43-F108 HydrophobicContact CG-CB 4.47Å; F43-F108 HydrophobicContact CZ-CB 4.32Å; F43-F108 AromaticContact CZ-CD2 3.81Å; F43-F108 HydrophobicContact CZ-CD2 3.81Å; F43-F108 HydrophobicContact CZ-CG 4.31Å; F43-E117 HydrophobicContact CD1-CB 4.19Å; F43-E117 HydrophobicContact CE1-CB 4.06Å; F43-I118 HydrophobicContact CB-CD1 3.81Å; F43-I118 HydrophobicContact CB-CG1 3.44Å; F43-I118 VanDerWaalsContact CB-CG1 3.44Å; F43-I118 HydrophobicContact CD1-CG1 4.23Å; F43-I118 HydrophobicContact CD2-CG1 3.67Å; F43-I118 HydrophobicContact CG-CD1 4.43Å; F43-I118 HydrophobicContact CG-CG1 3.51Å; F43-Y121 HydrophobicContact CE2-CD1 4.22Å; F43-Y121 HydrophobicContact CE2-CD2 4.25Å; F43-Y121 AromaticContact CE2-CG 3.88Å; F43-Y121 HydrophobicContact CE2-CG 3.88Å; F43-Y121 HydrophobicContact CZ-CD1 4.47Å; F43-Y121 AromaticContact CZ-CD2 3.76Å; F43-Y121 HydrophobicContact CZ-CD2 3.76Å; F43-Y121 AromaticContact CZ-CG 3.69Å; F43-Y121 HydrophobicContact CZ-CG 3.69Å; F43-W683 HydrophobicContact CE1-CE3 4.42Å; F43-W683 HydrophobicContact CE1-CH2 4.02Å; F43-W683 AromaticContact CE1-CZ3 3.67Å; F43-W683 HydrophobicContact CE1-CZ3 3.67Å; F43-W683 HydrophobicContact CZ-CE3 4.45Å; F43-W683 HydrophobicContact CZ-CH2 4.26Å; F43-W683 HydrophobicContact CZ-CZ3 4.01Å
44F92.4Very high89.4Confident23 Ų2361.6 Ų61.610%0.10135%0.352CS..EExtended strand (participates in β ladder)trans-122.4142175.7-75.4-97.7000110.5L4 F42 G46 T96 P97 L100 V107 F108 C109 S110L4-F44 HydrophobicContact CD2-CE1 4.34Å; F42-F44 HydrophobicContact CB-CE2 4.05Å; F44-G46 PolarHBondContact O-N 2.57Å; F44-T96 HydrophobicContact CE1-CG2 4.31Å; F44-T96 HydrophobicContact CZ-CG2 3.87Å; F44-P97 HydrophobicContact CB-CG 4.45Å; F44-P97 HydrophobicContact CD1-CG 3.73Å; F44-P97 HydrophobicContact CD2-CB 4.26Å; F44-P97 HydrophobicContact CD2-CG 3.85Å; F44-P97 HydrophobicContact CE1-CG 3.86Å; F44-P97 HydrophobicContact CE2-CB 4.28Å; F44-P97 HydrophobicContact CE2-CG 3.97Å; F44-P97 HydrophobicContact CG-CG 3.74Å; F44-P97 HydrophobicContact CZ-CG 3.98Å; F44-L100 HydrophobicContact CE2-CD1 3.89Å; F44-L100 HydrophobicContact CZ-CD1 3.85Å; F44-V107 HydrophobicContact CD2-CG1 3.64Å; F44-V107 HydrophobicContact CE2-CG1 3.7Å; F44-F108 PolarHBondContact N-O 2.99Å; F44-C109 WeakPolarHBondContact O-CA 3.32Å; F44-S110 PolarHBondContact O-N 3.41Å
45D88.6Confident89.1Confident91 Ų9161.3 Ų61.349%0.48735%0.346SS..  trans-55.4126.7177-54.4-65.3000110.6M1M1-D45 PolarHBondContact N-OD2 3.44Å
46G85.1Confident88.9Confident17 Ų1757.5 Ų57.518%0.17532%0.316CS..  trans-77.6-138.3171.800000113.6F44 S110F44-G46 PolarHBondContact O-N 2.57Å; G46-S110 VanDerWaalsContact CA-O 3.3Å; G46-S110 WeakPolarHBondContact CA-O 3.12Å; G46-S110 PolarHBondContact N-OG 2.91Å
47V82.9Confident88.8Confident35 Ų3555.6 Ų55.621%0.21230%0.298CS..SBendtrans-72134.2174.5179.30000109.5E49 Y308 A313 E317V47-E49 PolarHBondContact O-N 3.27Å; V47-Y308 HydrophobicContact CG2-CD1 4.23Å; V47-Y308 HydrophobicContact CG2-CE1 4.3Å; V47-A313 HydrophobicContact CB-CB 4.37Å; V47-A313 HydrophobicContact CG1-CB 4.05Å; V47-A313 HydrophobicContact CG2-CB 3.89Å; V47-E317 WeakPolarHBondContact CA-OE1 3.4Å
48V80.1Confident88.7Confident33 Ų3358 Ų5820%0.229%0.289CS..PPolyproline II helixtrans-66.2118.1179174.20000110.6R53 W56 E317V48-R53 PolarHBondContact O-NH2 3.38Å; V48-W56 HydrophobicContact CG1-CB 4.18Å; V48-W56 HydrophobicContact CG1-CG 4.22Å; V48-E317 HydrophobicContact CG2-CG 4.37Å; V48-E317 PolarHBondContact N-OE1 2.74Å
49E79.8Confident88.5Confident71 Ų7162 Ų6233%0.33230%0.301SS..PPolyproline II helixtrans-58.3145.6178.3-63.7-172.1-172.400112.4V47 Q51 K52 R53 E113V47-E49 PolarHBondContact O-N 3.27Å; E49-Q51 PolarHBondContact O-N 3.12Å; E49-K52 HydrophobicContact CB-CG 4.44Å; E49-K52 PolarHBondContact O-N 2.6Å; E49-R53 PolarHBondContact O-N 2.8Å; E49-E113 PolarHBondContact OE1-N 3.01Å
50E80.6Confident88.4Confident131 Ų13157.5 Ų57.561%0.61228%0.28SS*.THydrogen-bonded Turntrans-61.3-34.4-175.4-165.9157.6-118.600112.2R53 R364E50-R53 WeakPolarHBondContact O-CB 3.17Å; E50-R53 PolarHBondContact O-N 3.35Å; E50-R364 IonicContact OE1-CZ 2.89Å; E50-R364 IonicContact OE1-NH1 3.74Å; E50-R364 PolarHBondContact OE1-NH1 3.28Å; E50-R364 IonicContact OE1-NH2 3.27Å; E50-R364 PolarHBondContact OE1-NH2 3.19Å
51Q79.5Confident88.5Confident137 Ų13759.4 Ų59.464%0.6429%0.29SS*.THydrogen-bonded Turntrans-66-37.5175.6-61.4177.130.100112.4E49 R53 P54E49-Q51 PolarHBondContact O-N 3.12Å; Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.21Å; Q51-P54 WeakPolarHBondContact O-CD 3.38Å
52K83.4Confident88.4Confident48 Ų4864.1 Ų64.121%0.20930%0.303CS..THydrogen-bonded Turntrans-81-7.8178-57-163.5-171.4-156.10113.2E49 E55 W56 E113 D187E49-K52 HydrophobicContact CB-CG 4.44Å; E49-K52 PolarHBondContact O-N 2.6Å; K52-E55 PolarHBondContact O-N 2.99Å; K52-W56 PolarHBondContact O-N 2.74Å; K52-E113 IonicContact NZ-OE1 2.74Å; K52-E113 PolarHBondContact NZ-OE1 3.4Å; K52-D187 WeakPolarHBondContact CD-OD2 3.23Å; K52-D187 WeakPolarHBondContact CE-OD2 3.44Å; K52-D187 IonicContact NZ-OD2 2.71Å; K52-D187 PolarHBondContact NZ-OD2 3.49Å
53R89.1Confident88.2Confident16 Ų1665.5 Ų65.56%0.0631%0.313CS..Hα-helixtrans-59.2-42.5-174.2-165.964.361.1162.51.5114.4V48 E49 E50 Q51 W56 V57 E317 W366V48-R53 PolarHBondContact O-NH2 3.38Å; E49-R53 PolarHBondContact O-N 2.8Å; E50-R53 WeakPolarHBondContact O-CB 3.17Å; E50-R53 PolarHBondContact O-N 3.35Å; Q51-R53 VanDerWaalsContact C-N 3.31Å; Q51-R53 PolarHBondContact O-N 3.21Å; R53-W56 WeakPolarHBondContact O-CB 3.35Å; R53-W56 PolarHBondContact O-N 2.9Å; R53-V57 WeakPolarHBondContact O-CG2 3.34Å; R53-V57 PolarHBondContact O-N 3.12Å; R53-E317 IonicContact CZ-OE2 2.71Å; R53-E317 IonicContact NH1-OE2 3.56Å; R53-E317 PolarHBondContact NH1-OE2 3.36Å; R53-E317 IonicContact NH2-OE2 3.56Å; R53-E317 PolarHBondContact NH2-OE2 3.34Å; R53-W366 HydrophobicContact CG-CD2 4.33Å; R53-W366 HydrophobicContact CG-CH2 4.09Å; R53-W366 HydrophobicContact CG-CZ2 3.77Å; R53-W366 HydrophobicContact CG-CZ3 4.49Å; R53-W366 VanDerWaalsContact NH1-CG 3.33Å
54P89.1Confident88.2Confident92 Ų9265.1 Ų65.160%0.59731%0.312SS*.Hα-helixtrans-64.7-41.8-179.3-23.135.4000113.5Q51 V57 K58Q51-P54 WeakPolarHBondContact O-CD 3.38Å; P54-V57 PolarHBondContact O-N 2.86Å; P54-K58 WeakPolarHBondContact O-CB 3.37Å; P54-K58 PolarHBondContact O-N 3.45Å
55E88.1Confident88.2Confident57 Ų5771 Ų7127%0.26634%0.337SS..Hα-helixtrans-71.2-34.6176.6177.158.2-156.200111.2K52 K58 R59K52-E55 PolarHBondContact O-N 2.99Å; E55-K58 PolarHBondContact O-N 2.88Å; E55-K58 WeakPolarHBondContact OE2-CD 3.3Å; E55-K58 WeakPolarHBondContact OE2-CE 3.48Å; E55-K58 IonicContact OE2-NZ 3.54Å; E55-K58 PolarHBondContact OE2-NZ 3.33Å; E55-R59 VanDerWaalsContact O-CG 3.26Å; E55-R59 WeakPolarHBondContact O-CG 3.4Å; E55-R59 PolarHBondContact O-N 3.49Å; E55-R59 IonicContact OE1-CZ 3.43Å; E55-R59 IonicContact OE1-NE 3.46Å; E55-R59 PolarHBondContact OE1-NE 3.41Å; E55-R59 IonicContact OE1-NH2 3.47Å; E55-R59 PolarHBondContact OE1-NH2 3.48Å
56W91.1Very high88.4Confident27 Ų2768.9 Ų68.910%0.10233%0.326CS..Hα-helixtrans-57.5-50.9168.2-177.8100.7000111.1V48 K52 R53 K58 R59 R60 E317 W366 V368 L374V48-W56 HydrophobicContact CG1-CB 4.18Å; V48-W56 HydrophobicContact CG1-CG 4.22Å; K52-W56 PolarHBondContact O-N 2.74Å; R53-W56 WeakPolarHBondContact O-CB 3.35Å; R53-W56 PolarHBondContact O-N 2.9Å; W56-K58 PolarHBondContact O-N 3.3Å; W56-R59 WeakPolarHBondContact O-CB 3.49Å; W56-R59 PolarHBondContact O-N 2.96Å; W56-R59 VanDerWaalsContact O-N 3.16Å; W56-R60 HydrophobicContact CD2-CG 3.8Å; W56-R60 HydrophobicContact CE3-CG 3.87Å; W56-R60 HydrophobicContact CH2-CG 3.94Å; W56-R60 HydrophobicContact CZ2-CG 3.88Å; W56-R60 HydrophobicContact CZ3-CG 3.93Å; W56-R60 WeakPolarHBondContact O-CG 3.24Å; W56-R60 PolarHBondContact O-N 2.99Å; W56-E317 HydrophobicContact CH2-CB 4.26Å; W56-E317 HydrophobicContact CZ2-CB 4.03Å; W56-E317 HydrophobicContact CZ2-CG 4.49Å; W56-W366 HydrophobicContact CH2-CB 4.23Å; W56-W366 HydrophobicContact CZ3-CB 4.25Å; W56-V368 HydrophobicContact CH2-CG2 3.66Å; W56-V368 HydrophobicContact CZ2-CG2 4.33Å; W56-V368 HydrophobicContact CZ3-CG2 4.24Å; W56-L374 HydrophobicContact CZ3-CD1 4.39Å
57V93.7Very high88.9Confident18 Ų1868.3 Ų68.311%0.10932%0.319CS..Hα-helixtrans-56.8-49.6177.7165.90000111.1R53 P54 R59 R60 L61 W366 L374R53-V57 WeakPolarHBondContact O-CG2 3.34Å; R53-V57 PolarHBondContact O-N 3.12Å; P54-V57 PolarHBondContact O-N 2.86Å; V57-R59 VanDerWaalsContact C-N 3.28Å; V57-R59 PolarHBondContact O-N 3.25Å; V57-R60 PolarHBondContact O-N 3.4Å; V57-L61 HydrophobicContact CG1-CD1 3.73Å; V57-L61 HydrophobicContact CG1-CG 4.12Å; V57-L61 WeakPolarHBondContact O-CG 3.23Å; V57-L61 PolarHBondContact O-N 3.4Å; V57-W366 HydrophobicContact CG2-CE3 4.29Å; V57-W366 HydrophobicContact CG2-CZ3 4.04Å; V57-L374 HydrophobicContact CB-CB 4.42Å; V57-L374 HydrophobicContact CG1-CB 3.73Å; V57-L374 HydrophobicContact CG1-CD1 4.37Å; V57-L374 HydrophobicContact CG2-CB 3.87Å
58K92.3Very high89.4Confident120 Ų12069.4 Ų69.452%0.52232%0.323SS..Hα-helixtrans-56.2-39.5177.2177.6172.6155.1-146.70112.7P54 E55 W56 R62P54-K58 WeakPolarHBondContact O-CB 3.37Å; P54-K58 PolarHBondContact O-N 3.45Å; E55-K58 PolarHBondContact O-N 2.88Å; E55-K58 WeakPolarHBondContact OE2-CD 3.3Å; E55-K58 WeakPolarHBondContact OE2-CE 3.48Å; E55-K58 IonicContact OE2-NZ 3.54Å; E55-K58 PolarHBondContact OE2-NZ 3.33Å; W56-K58 PolarHBondContact O-N 3.3Å; K58-R62 PolarHBondContact O-N 3.37Å
59R91.3Very high90.1Very high135 Ų13572.7 Ų72.751%0.50934%0.335SS..Hα-helixtrans-66.6-44.3173-69.6170.3-171.6-1796.7111.8E55 W56 V57 R62 V63E55-R59 VanDerWaalsContact O-CG 3.26Å; E55-R59 WeakPolarHBondContact O-CG 3.4Å; E55-R59 PolarHBondContact O-N 3.49Å; E55-R59 IonicContact OE1-CZ 3.43Å; E55-R59 IonicContact OE1-NE 3.46Å; E55-R59 PolarHBondContact OE1-NE 3.41Å; E55-R59 IonicContact OE1-NH2 3.47Å; E55-R59 PolarHBondContact OE1-NH2 3.48Å; W56-R59 WeakPolarHBondContact O-CB 3.49Å; W56-R59 PolarHBondContact O-N 2.96Å; W56-R59 VanDerWaalsContact O-N 3.16Å; V57-R59 VanDerWaalsContact C-N 3.28Å; V57-R59 PolarHBondContact O-N 3.25Å; R59-R62 WeakPolarHBondContact O-CB 3.43Å; R59-R62 PolarHBondContact O-N 3.11Å; R59-V63 WeakPolarHBondContact O-CG2 3.31Å; R59-V63 PolarHBondContact O-N 2.61Å; R59-V63 VanDerWaalsContact O-N 3.13Å
60R93.6Very high90.9Very high47 Ų4769.4 Ų69.418%0.17732%0.319CS..Hα-helixtrans-66.8-41.1179.4-58.8-56.3157.7-154.8-3.5112.9W56 V57 R62 V63 N64 S319 N320 V368 L374W56-R60 HydrophobicContact CD2-CG 3.8Å; W56-R60 HydrophobicContact CE3-CG 3.87Å; W56-R60 HydrophobicContact CH2-CG 3.94Å; W56-R60 HydrophobicContact CZ2-CG 3.88Å; W56-R60 HydrophobicContact CZ3-CG 3.93Å; W56-R60 WeakPolarHBondContact O-CG 3.24Å; W56-R60 PolarHBondContact O-N 2.99Å; V57-R60 PolarHBondContact O-N 3.4Å; R60-R62 VanDerWaalsContact C-N 3.29Å; R60-R62 PolarHBondContact O-N 2.9Å; R60-V63 PolarHBondContact O-N 2.98Å; R60-N64 PolarHBondContact O-N 3.35Å; R60-S319 WeakPolarHBondContact CD-OG 3.5Å; R60-S319 VanDerWaalsContact CZ-OG 3.24Å; R60-S319 PolarHBondContact NE-OG 3.5Å; R60-S319 PolarHBondContact NH1-OG 3.49Å; R60-N320 WeakPolarHBondContact CD-OD1 3.41Å; R60-N320 PolarHBondContact O-ND2 2.98Å; R60-V368 HydrophobicContact CB-CG1 4.33Å; R60-V368 HydrophobicContact CB-CG2 3.81Å; R60-V368 HydrophobicContact CG-CG2 3.8Å; R60-L374 HydrophobicContact CB-CD1 4.24Å
61L94.1Very high91.6Very high58 Ų5863.1 Ų63.130%0.30429%0.29SS..Hα-helixtrans-65.4-31.1175.4-66.9177.2000112.5V57 N372 L374V57-L61 HydrophobicContact CG1-CD1 3.73Å; V57-L61 HydrophobicContact CG1-CG 4.12Å; V57-L61 WeakPolarHBondContact O-CG 3.23Å; V57-L61 PolarHBondContact O-N 3.4Å; L61-N372 WeakPolarHBondContact CD2-O 3.39Å; L61-L374 HydrophobicContact CD2-CD1 4.25Å; L61-L374 HydrophobicContact CG-CD1 4.5Å
62R92.7Very high92.3Very high143 Ų14359 Ų5954%0.5427%0.272SS..Hα-helixtrans-64.8-48169.9-172.5-174.4-61.6160.41.8111.2K58 R59 R60 N64 K65 D66K58-R62 PolarHBondContact O-N 3.37Å; R59-R62 WeakPolarHBondContact O-CB 3.43Å; R59-R62 PolarHBondContact O-N 3.11Å; R60-R62 VanDerWaalsContact C-N 3.29Å; R60-R62 PolarHBondContact O-N 2.9Å; R62-N64 VanDerWaalsContact C-N 3.31Å; R62-N64 PolarHBondContact O-N 2.91Å; R62-K65 WeakPolarHBondContact O-CB 3.1Å; R62-K65 PolarHBondContact O-N 3.18Å; R62-D66 PolarHBondContact O-N 3.33Å
63V92.1Very high92.9Very high44 Ų4459.2 Ų59.227%0.26727%0.274SS..Hα-helixtrans-61.2-37.3179.5174.50000111.8R59 R60 K65 D66 I67 N320R59-V63 WeakPolarHBondContact O-CG2 3.31Å; R59-V63 PolarHBondContact O-N 2.61Å; R59-V63 VanDerWaalsContact O-N 3.13Å; R60-V63 PolarHBondContact O-N 2.98Å; V63-K65 VanDerWaalsContact C-N 3.29Å; V63-K65 PolarHBondContact O-N 3.36Å; V63-D66 PolarHBondContact O-N 3.41Å; V63-I67 HydrophobicContact CG1-CD1 3.81Å; V63-I67 HydrophobicContact CG1-CG1 4.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.5Å; V63-I67 PolarHBondContact O-N 3.12Å; V63-N320 HydrophobicContact CG1-CB 3.92Å; V63-N320 VanDerWaalsContact CG1-CG 3.5Å
64N92.2Very high93.2Very high25 Ų2558.4 Ų58.413%0.13427%0.271CS..Hα-helixtrans-55.9-42.3172.3-83.13.3000112.2R60 R62 D66 I67 I68 N320 F369R60-N64 PolarHBondContact O-N 3.35Å; R62-N64 VanDerWaalsContact C-N 3.31Å; R62-N64 PolarHBondContact O-N 2.91Å; N64-D66 PolarHBondContact O-N 3.46Å; N64-I67 PolarHBondContact O-N 3.49Å; N64-I68 WeakPolarHBondContact O-CG1 3.47Å; N64-I68 PolarHBondContact O-N 3.23Å; N64-I68 VanDerWaalsContact O-N 3.1Å; N64-N320 PolarHBondContact OD1-ND2 3.39Å; N64-F369 PolarHBondContact ND2-O 2.88Å
65K92.5Very high93.5Very high145 Ų14556.7 Ų56.763%0.6325%0.254SS*.Hα-helixtrans-65.5-26.9176.9-63.1178.6-178.6-174.60113.2R62 V63 K69R62-K65 WeakPolarHBondContact O-CB 3.1Å; R62-K65 PolarHBondContact O-N 3.18Å; V63-K65 VanDerWaalsContact C-N 3.29Å; V63-K65 PolarHBondContact O-N 3.36Å; K65-K69 WeakPolarHBondContact O-CE 3.21Å; K65-K69 WeakPolarHBondContact O-CG 3.35Å
66D93.4Very high93.7Very high47 Ų4759.9 Ų59.925%0.25127%0.269SS..Hα-helixtrans-81.9-33.9175.2-63.2-37.5000111.4R62 V63 N64 I68 K69 I70 L85R62-D66 PolarHBondContact O-N 3.33Å; V63-D66 PolarHBondContact O-N 3.41Å; N64-D66 PolarHBondContact O-N 3.46Å; D66-I68 PolarHBondContact O-N 3.42Å; D66-K69 WeakPolarHBondContact O-CB 3.41Å; D66-K69 PolarHBondContact O-N 2.89Å; D66-K69 VanDerWaalsContact O-N 3.14Å; D66-K69 IonicContact OD1-NZ 2.72Å; D66-K69 PolarHBondContact OD1-NZ 3.39Å; D66-I70 VanDerWaalsContact O-CG1 3.29Å; D66-I70 WeakPolarHBondContact O-CG1 3.18Å; D66-I70 PolarHBondContact O-N 3.36Å; D66-L85 HydrophobicContact CB-CD2 4.39Å
67I94.8Very high93.9Very high6 Ų663 Ų633%0.03129%0.285CS..Hα-helixtrans-60-43.7172.4-67.6163.9000111.7V63 N64 K69 I70 F71 N320 S321 L322 E323V63-I67 HydrophobicContact CG1-CD1 3.81Å; V63-I67 HydrophobicContact CG1-CG1 4.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.5Å; V63-I67 PolarHBondContact O-N 3.12Å; N64-I67 PolarHBondContact O-N 3.49Å; I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 2.84Å; I67-I70 WeakPolarHBondContact O-CB 3.37Å; I67-I70 PolarHBondContact O-N 2.73Å; I67-I70 VanDerWaalsContact O-N 3.08Å; I67-F71 HydrophobicContact CG2-CD2 3.7Å; I67-F71 HydrophobicContact CG2-CE2 3.62Å; I67-F71 WeakPolarHBondContact O-CD2 3.42Å; I67-F71 PolarHBondContact O-N 3.42Å; I67-N320 HydrophobicContact CD1-CB 3.7Å; I67-S321 WeakPolarHBondContact CD1-O 3.26Å; I67-L322 HydrophobicContact CG1-CD2 4.14Å; I67-L322 HydrophobicContact CG2-CD2 4.4Å; I67-E323 WeakPolarHBondContact CG2-O 3.47Å
68I94.2Very high93.8Very high57 Ų5762.5 Ų62.529%0.29228%0.283SS..Hα-helixtrans-57.1-42.5173.9-64.9164.5000111N64 D66 F71 N72 E325N64-I68 WeakPolarHBondContact O-CG1 3.47Å; N64-I68 PolarHBondContact O-N 3.23Å; N64-I68 VanDerWaalsContact O-N 3.1Å; D66-I68 PolarHBondContact O-N 3.42Å; I68-F71 PolarHBondContact O-N 2.78Å; I68-N72 WeakPolarHBondContact O-CB 3.46Å; I68-N72 VanDerWaalsContact O-CG 3.27Å; I68-N72 PolarHBondContact O-N 2.97Å; I68-N72 PolarHBondContact O-ND2 3.29Å; I68-E325 WeakPolarHBondContact CD1-OE2 3.44Å
69K95.2Very high93.9Very high102 Ų10262.9 Ų62.944%0.44329%0.286SS..Hα-helixtrans-65.8-38.2176.1-60.1166.2-161.9162.70112K65 D66 I67 H73 L85K65-K69 WeakPolarHBondContact O-CE 3.21Å; K65-K69 WeakPolarHBondContact O-CG 3.35Å; D66-K69 WeakPolarHBondContact O-CB 3.41Å; D66-K69 PolarHBondContact O-N 2.89Å; D66-K69 VanDerWaalsContact O-N 3.14Å; D66-K69 IonicContact OD1-NZ 2.72Å; D66-K69 PolarHBondContact OD1-NZ 3.39Å; I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 2.84Å; K69-H73 WeakPolarHBondContact O-CB 3.47Å; K69-H73 PolarHBondContact O-N 3.02Å; K69-L85 HydrophobicContact CB-CD1 4.02Å; K69-L85 HydrophobicContact CB-CD2 4.5Å; K69-L85 HydrophobicContact CD-CD2 4Å
70I95.6Very high93.9Very high2 Ų258.9 Ų58.91%0.0127%0.273CS..Hα-helixtrans-61.4-49.5177.3-67.4159.5000110W13 V14 D66 I67 H73 I74 P81 L85 L322W13-I70 HydrophobicContact CH2-CD1 3.71Å; W13-I70 HydrophobicContact CH2-CG1 4.03Å; W13-I70 HydrophobicContact CH2-CG2 4.24Å; W13-I70 HydrophobicContact CZ3-CD1 4.07Å; V14-I70 HydrophobicContact CG1-CG2 3.98Å; D66-I70 VanDerWaalsContact O-CG1 3.29Å; D66-I70 WeakPolarHBondContact O-CG1 3.18Å; D66-I70 PolarHBondContact O-N 3.36Å; I67-I70 WeakPolarHBondContact O-CB 3.37Å; I67-I70 PolarHBondContact O-N 2.73Å; I67-I70 VanDerWaalsContact O-N 3.08Å; I70-H73 PolarHBondContact O-N 2.85Å; I70-I74 HydrophobicContact CG2-CD1 3.73Å; I70-I74 VanDerWaalsContact O-CG1 3.32Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 3.23Å; I70-P81 HydrophobicContact CB-CG 4.25Å; I70-P81 HydrophobicContact CG1-CG 3.88Å; I70-P81 HydrophobicContact CG2-CG 4.07Å; I70-L85 WeakPolarHBondContact CD1-O 3.49Å; I70-L85 HydrophobicContact CG1-CB 4.21Å; I70-L322 HydrophobicContact CD1-CD2 4.31Å
71F95.7Very high93.8Very high0 Ų056.9 Ų56.90%027%0.266CS..Hα-helixtrans-65.5-41.7178.1-79.9-67.7000113.1I67 I68 H73 I74 K75 L322 E323 D324 V486 Q487I67-F71 HydrophobicContact CG2-CD2 3.7Å; I67-F71 HydrophobicContact CG2-CE2 3.62Å; I67-F71 WeakPolarHBondContact O-CD2 3.42Å; I67-F71 PolarHBondContact O-N 3.42Å; I68-F71 PolarHBondContact O-N 2.78Å; F71-H73 VanDerWaalsContact C-N 3.3Å; F71-H73 PolarHBondContact O-N 3.43Å; F71-I74 PolarHBondContact O-N 3.39Å; F71-K75 WeakPolarHBondContact O-CB 3.19Å; F71-K75 VanDerWaalsContact O-CG 3.32Å; F71-K75 WeakPolarHBondContact O-CG 3.33Å; F71-K75 PolarHBondContact O-N 3.28Å; F71-L322 HydrophobicContact CE2-CB 4.11Å; F71-L322 HydrophobicContact CZ-CB 3.91Å; F71-E323 WeakPolarHBondContact CE2-O 3.48Å; F71-D324 HydrophobicContact CB-CB 4.48Å; F71-D324 HydrophobicContact CD1-CB 3.83Å; F71-D324 WeakPolarHBondContact CD1-OD2 3.39Å; F71-D324 HydrophobicContact CD2-CB 3.88Å; F71-D324 HydrophobicContact CE1-CB 3.98Å; F71-D324 HydrophobicContact CE2-CB 4.01Å; F71-D324 HydrophobicContact CG-CB 3.79Å; F71-D324 HydrophobicContact CZ-CB 4.06Å; F71-V486 HydrophobicContact CE1-CB 4.19Å; F71-V486 HydrophobicContact CE1-CG1 3.7Å; F71-V486 HydrophobicContact CZ-CG1 3.74Å; F71-Q487 HydrophobicContact CE1-CG 3.67Å; F71-Q487 HydrophobicContact CE2-CG 4.48Å; F71-Q487 HydrophobicContact CZ-CG 3.48Å; F71-Q487 VanDerWaalsContact CZ-CG 3.48Å
72N95.1Very high93.3Very high49 Ų4956.7 Ų56.726%0.26228%0.279SS..Hα-helixtrans-60.7-39.6175.2-74.3-16000112.2I68 Q76I68-N72 WeakPolarHBondContact O-CB 3.46Å; I68-N72 VanDerWaalsContact O-CG 3.27Å; I68-N72 PolarHBondContact O-N 2.97Å; I68-N72 PolarHBondContact O-ND2 3.29Å; N72-Q76 WeakPolarHBondContact O-CB 3.21Å; N72-Q76 WeakPolarHBondContact O-CG 3.38Å; N72-Q76 PolarHBondContact O-N 2.83Å; N72-Q76 VanDerWaalsContact O-N 3.11Å
73H95.3Very high92.7Very high53 Ų5358 Ų5825%0.24529%0.291CS..Hα-helixtrans-65.4-47.4174.1-173.381.4000112K69 I70 F71 K75 Q76 H77 E79 P81K69-H73 WeakPolarHBondContact O-CB 3.47Å; K69-H73 PolarHBondContact O-N 3.02Å; I70-H73 PolarHBondContact O-N 2.85Å; F71-H73 VanDerWaalsContact C-N 3.3Å; F71-H73 PolarHBondContact O-N 3.43Å; H73-K75 VanDerWaalsContact C-N 3.35Å; H73-K75 PolarHBondContact O-N 3.34Å; H73-Q76 PolarHBondContact O-N 3.28Å; H73-H77 AromaticContact CE1-CD2 3.37Å; H73-H77 PolarHBondContact CE1-CD2 2.81Å; H73-H77 AromaticContact CE1-CG 3.85Å; H73-H77 AromaticContact CE1-NE2 3.89Å; H73-H77 AromaticContact CG-CD2 3.85Å; H73-H77 AromaticContact ND1-CD2 3.25Å; H73-H77 PolarHBondContact ND1-CD2 3.32Å; H73-H77 VanDerWaalsContact ND1-CD2 3.25Å; H73-H77 AromaticContact ND1-NE2 3.72Å; H73-H77 WeakPolarHBondContact O-CB 2.98Å; H73-H77 PolarHBondContact O-CD2 3.25Å; H73-H77 VanDerWaalsContact O-CD2 3.32Å; H73-H77 PolarHBondContact O-N 3.37Å; H73-E79 PolarHBondContact CD2-O 3.24Å; H73-P81 HydrophobicContact CB-CB 4.31Å
74I95.1Very high92.2Very high0 Ų065.2 Ų65.20%032%0.322CS..Hα-helixtrans-59.1-45.7177.4-67.9162.3000110.6V14 I70 F71 Q76 G78 E79 L481 V486 Q579V14-I74 HydrophobicContact CG1-CD1 4.34Å; I70-I74 HydrophobicContact CG2-CD1 3.73Å; I70-I74 VanDerWaalsContact O-CG1 3.32Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 3.23Å; F71-I74 PolarHBondContact O-N 3.39Å; I74-Q76 VanDerWaalsContact C-N 3.33Å; I74-Q76 PolarHBondContact O-N 3.5Å; I74-G78 VanDerWaalsContact O-CA 3.26Å; I74-G78 WeakPolarHBondContact O-CA 3.42Å; I74-G78 PolarHBondContact O-N 2.93Å; I74-E79 WeakPolarHBondContact CG1-O 3.47Å; I74-L481 HydrophobicContact CG2-CB 4.13Å; I74-V486 HydrophobicContact CD1-CG2 4.24Å; I74-Q579 PolarHBondContact O-OE1 3.05Å
75K94.6Very high91.8Very high56 Ų5666.3 Ų66.324%0.24333%0.328CS..Hα-helixtrans-61.7-35178.1-75.8165.4167.9163.60113.8F71 H73 D324 E326 Q579F71-K75 WeakPolarHBondContact O-CB 3.19Å; F71-K75 VanDerWaalsContact O-CG 3.32Å; F71-K75 WeakPolarHBondContact O-CG 3.33Å; F71-K75 PolarHBondContact O-N 3.28Å; H73-K75 VanDerWaalsContact C-N 3.35Å; H73-K75 PolarHBondContact O-N 3.34Å; K75-D324 WeakPolarHBondContact CE-OD2 3.5Å; K75-D324 IonicContact NZ-OD1 3.68Å; K75-D324 PolarHBondContact NZ-OD1 3.42Å; K75-D324 IonicContact NZ-OD2 2.94Å; K75-D324 PolarHBondContact NZ-OD2 3.27Å; K75-E326 IonicContact NZ-OE2 2.72Å; K75-E326 PolarHBondContact NZ-OE2 3.29Å; K75-Q579 PolarHBondContact O-OE1 2.66Å
76Q94.3Very high91.3Very high123 Ų12362.8 Ų62.858%0.57532%0.321SS*.Hα-helixtrans-84.7-40-176.8-71.2171.322.800112.7N72 H73 I74 R583N72-Q76 WeakPolarHBondContact O-CB 3.21Å; N72-Q76 WeakPolarHBondContact O-CG 3.38Å; N72-Q76 PolarHBondContact O-N 2.83Å; N72-Q76 VanDerWaalsContact O-N 3.11Å; H73-Q76 PolarHBondContact O-N 3.28Å; I74-Q76 VanDerWaalsContact C-N 3.33Å; I74-Q76 PolarHBondContact O-N 3.5Å; Q76-R583 PolarHBondContact O-NH2 3.49Å
77H93.8Very high90.8Very high94 Ų9462.2 Ų62.244%0.43532%0.32SS..Hα-helixtrans-107.3-26.7-170.3-60.5-81.3000113.9H73 E79H73-H77 AromaticContact CE1-CD2 3.37Å; H73-H77 PolarHBondContact CE1-CD2 2.81Å; H73-H77 AromaticContact CE1-CG 3.85Å; H73-H77 AromaticContact CE1-NE2 3.89Å; H73-H77 AromaticContact CG-CD2 3.85Å; H73-H77 AromaticContact ND1-CD2 3.25Å; H73-H77 PolarHBondContact ND1-CD2 3.32Å; H73-H77 VanDerWaalsContact ND1-CD2 3.25Å; H73-H77 AromaticContact ND1-NE2 3.72Å; H73-H77 WeakPolarHBondContact O-CB 2.98Å; H73-H77 PolarHBondContact O-CD2 3.25Å; H73-H77 VanDerWaalsContact O-CD2 3.32Å; H73-H77 PolarHBondContact O-N 3.37Å; H77-E79 VanDerWaalsContact C-N 3.31Å; H77-E79 HydrophobicContact CB-CB 4.44Å
78G93.2Very high90.4Very high6 Ų663.8 Ų63.86%0.06233%0.329CS..SBendtrans72.823.2-171.700000113.3I74 V480 L481I74-G78 VanDerWaalsContact O-CA 3.26Å; I74-G78 WeakPolarHBondContact O-CA 3.42Å; I74-G78 PolarHBondContact O-N 2.93Å; G78-V480 CarbonylContact O-C 3.59Å; G78-L481 PolarHBondContact O-N 3.21Å
79E92.4Very high90.2Very high129 Ų12961.4 Ų61.460%0.60332%0.317SS*.SBendtrans-137163.7-173.8-67.3179.4-17300110.4H73 I74 H77H73-E79 PolarHBondContact CD2-O 3.24Å; I74-E79 WeakPolarHBondContact CG1-O 3.47Å; H77-E79 VanDerWaalsContact C-N 3.31Å; H77-E79 HydrophobicContact CB-CB 4.44Å
80Q91.6Very high90Very high51 Ų5156.7 Ų56.724%0.23830%0.297CS..PPolyproline II helixtrans-79.7143.917661.9164.422.200110.6V14 L481V14-Q80 HydrophobicContact CG1-CB 4.45Å; V14-Q80 HydrophobicContact CG2-CB 3.96Å; Q80-L481 HydrophobicContact CB-CD1 3.82Å
81P91.3Very high89.8Confident4 Ų456.9 Ų56.93%0.02630%0.299CS..PPolyproline II helixtrans-68.8158.2175.528.3-32.8000111.9W13 I70 H73 L85W13-P81 HydrophobicContact CH2-CG 4.21Å; W13-P81 HydrophobicContact CZ2-CG 4.02Å; I70-P81 HydrophobicContact CB-CG 4.25Å; I70-P81 HydrophobicContact CG1-CG 3.88Å; I70-P81 HydrophobicContact CG2-CG 4.07Å; H73-P81 HydrophobicContact CB-CB 4.31Å; P81-L85 HydrophobicContact CB-CB 4.14Å; P81-L85 HydrophobicContact CB-CD1 4.04Å; P81-L85 HydrophobicContact CG-CB 4.21Å
82G84.9Confident89.7Confident55 Ų5557 Ų5757%0.56730%0.299SS*.PPolyproline II helixtrans-65.6169.6178.200000114.1Q84 L85G82-Q84 PolarHBondContact O-N 3.42Å; G82-L85 PolarHBondContact O-N 3.37Å
83Q79.2Confident89.5Confident171 Ų17156.4 Ų56.480%0.79930%0.301SS*.G310 helixtrans-53.6-24.7-172.7-66.9179.9-6.400115.3L85 S86Q83-L85 PolarHBondContact O-N 3.37Å; Q83-L85 VanDerWaalsContact O-N 3.16Å; Q83-S86 PolarHBondContact O-N 3.38Å; Q83-S86 VanDerWaalsContact O-N 3.13Å; Q83-S86 PolarHBondContact O-OG 3.4Å
84Q81.2Confident89.4Confident194 Ų19455.1 Ų55.191%0.90730%0.297SS*.G310 helixtrans-57.5-25.8174.5-66.3-85.7-13.100113.4G82G82-Q84 PolarHBondContact O-N 3.42Å
85L84.7Confident89.4Confident49 Ų4955.1 Ų55.126%0.25730%0.297SS..G310 helixtrans-115.317.8178.6-64.8174.8000112.3W13 D66 K69 I70 P81 G82 Q83 C87W13-L85 WeakPolarHBondContact CH2-O 3.23Å; D66-L85 HydrophobicContact CB-CD2 4.39Å; K69-L85 HydrophobicContact CB-CD1 4.02Å; K69-L85 HydrophobicContact CB-CD2 4.5Å; K69-L85 HydrophobicContact CD-CD2 4Å; I70-L85 WeakPolarHBondContact CD1-O 3.49Å; I70-L85 HydrophobicContact CG1-CB 4.21Å; P81-L85 HydrophobicContact CB-CB 4.14Å; P81-L85 HydrophobicContact CB-CD1 4.04Å; P81-L85 HydrophobicContact CG-CB 4.21Å; G82-L85 PolarHBondContact O-N 3.37Å; Q83-L85 PolarHBondContact O-N 3.37Å; Q83-L85 VanDerWaalsContact O-N 3.16Å; L85-C87 PolarHBondContact O-N 3.45Å
86S81Confident89.4Confident70 Ų7052.4 Ų52.449%0.4929%0.285SS..  trans-68.3125.317963.70000111.5Q83Q83-S86 PolarHBondContact O-N 3.38Å; Q83-S86 VanDerWaalsContact O-N 3.13Å; Q83-S86 PolarHBondContact O-OG 3.4Å
87C83.5Confident89.5Confident36 Ų3646.9 Ų46.924%0.24326%0.26CS..  trans-110.3159.1165.687.70000110.8W13 L85W13-C87 HydrophobicContact CZ3-CB 4.15Å; W13-C87 VanDerWaalsContact CZ3-SG 3.5Å; L85-C87 PolarHBondContact O-N 3.45Å
88L87.3Confident89.5Confident39 Ų3943.7 Ų43.720%0.20425%0.245CC..PPolyproline II helixtrans-70.5147.7171.1-64.6174.5000110M1 L4 Y8 L92M1-L88 HydrophobicContact CE-CD1 3.62Å; L4-L88 HydrophobicContact CB-CD1 3.81Å; Y8-L88 HydrophobicContact CG-CD2 4.37Å; L88-L92 HydrophobicContact CB-CD2 4.13Å; L88-L92 HydrophobicContact CD1-CD2 4.24Å; L88-L92 HydrophobicContact CD2-CD2 3.77Å; L88-L92 HydrophobicContact CG-CD2 4.27Å
89P89.3Confident89.6Confident6 Ų643.4 Ų43.44%0.03924%0.242CC..PPolyproline II helixtrans-53.7149171.6-27.135000112.6Y8 W19 A91 L92Y8-P89 HydrophobicContact CD1-CG 4.41Å; Y8-P89 HydrophobicContact CD2-CG 4.27Å; Y8-P89 HydrophobicContact CE1-CG 3.89Å; Y8-P89 HydrophobicContact CE2-CG 3.69Å; Y8-P89 VanDerWaalsContact CZ-CG 3.48Å; W19-P89 HydrophobicContact CZ2-CB 4.46Å; P89-A91 PolarHBondContact O-N 3.48Å; P89-L92 WeakPolarHBondContact O-CB 3.43Å; P89-L92 PolarHBondContact O-N 2.61Å
90S90.7Very high89.8Confident4 Ų437.3 Ų37.33%0.02821%0.213CC..THydrogen-bonded Turntrans-51.4139.3173.1-54.40000110.5L92 S490 V493S90-L92 PolarHBondContact O-N 3.41Å; S90-S490 PolarHBondContact OG-OG 3.02Å; S90-V493 WeakPolarHBondContact O-CG1 3.48Å
91A92.3Very high89.9Confident6 Ų638.4 Ų38.45%0.0522%0.215CC..THydrogen-bonded Turntrans56.812.4-179.300000117.6P89 A93 T94 F95 V493 S497P89-A91 PolarHBondContact O-N 3.48Å; A91-A93 VanDerWaalsContact C-N 3.26Å; A91-A93 PolarHBondContact O-N 2.77Å; A91-T94 WeakPolarHBondContact O-CA 3.3Å; A91-T94 VanDerWaalsContact O-CB 3.27Å; A91-T94 WeakPolarHBondContact O-CB 3.41Å; A91-T94 PolarHBondContact O-N 3.14Å; A91-F95 HydrophobicContact CB-CD2 3.9Å; A91-F95 HydrophobicContact CB-CE2 3.65Å; A91-F95 VanDerWaalsContact O-CD2 3.31Å; A91-F95 WeakPolarHBondContact O-CD2 3.38Å; A91-F95 PolarHBondContact O-N 2.69Å; A91-V493 HydrophobicContact CB-CG1 4.11Å; A91-S497 VanDerWaalsContact CB-OG 3.23Å; A91-S497 WeakPolarHBondContact CB-OG 3.24Å
92L92.6Very high90Very high3 Ų341.7 Ų41.72%0.01624%0.238CC..Hα-helixtrans-53.4-43.3176.6-170.776.5000112.8L4 Y8 W19 Y22 L88 P89 S90 T94 F95 T96L4-L92 HydrophobicContact CB-CD2 4.37Å; Y8-L92 HydrophobicContact CD2-CD1 3.72Å; Y8-L92 HydrophobicContact CD2-CD2 3.93Å; Y8-L92 HydrophobicContact CE2-CD1 4.17Å; Y8-L92 HydrophobicContact CG-CD2 4.07Å; W19-L92 HydrophobicContact CH2-CB 4.43Å; W19-L92 HydrophobicContact CH2-CD1 3.98Å; W19-L92 HydrophobicContact CZ3-CD1 3.78Å; Y22-L92 HydrophobicContact CD1-CD1 3.83Å; Y22-L92 HydrophobicContact CE1-CD1 3.49Å; Y22-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y22-L92 HydrophobicContact CE1-CG 4.3Å; Y22-L92 HydrophobicContact CE2-CD1 4.4Å; Y22-L92 HydrophobicContact CG-CD1 4.4Å; L88-L92 HydrophobicContact CB-CD2 4.13Å; L88-L92 HydrophobicContact CD1-CD2 4.24Å; L88-L92 HydrophobicContact CD2-CD2 3.77Å; L88-L92 HydrophobicContact CG-CD2 4.27Å; P89-L92 WeakPolarHBondContact O-CB 3.43Å; P89-L92 PolarHBondContact O-N 2.61Å; S90-L92 PolarHBondContact O-N 3.41Å; L92-T94 VanDerWaalsContact C-N 3.27Å; L92-T94 PolarHBondContact O-N 3.11Å; L92-F95 PolarHBondContact O-N 2.82Å; L92-T96 WeakPolarHBondContact O-CB 3.25Å; L92-T96 PolarHBondContact O-N 3.15Å; L92-T96 PolarHBondContact O-OG1 3.03Å
93A91.3Very high90.5Very high36 Ų3641.1 Ų41.130%0.29822%0.222SC..Hα-helixtrans-65.4-27.7176.700000113.5M1 L4 A91 P97M1-A93 HydrophobicContact SD-CB 3.72Å; L4-A93 HydrophobicContact CD1-CB 3.73Å; A91-A93 VanDerWaalsContact C-N 3.26Å; A91-A93 PolarHBondContact O-N 2.77Å; A93-P97 WeakPolarHBondContact O-CD 3.46Å
94T92.8Very high91.2Very high25 Ų2536.1 Ų36.115%0.15322%0.217CC..Hα-helixtrans-71.8-39.7176.9-59.30000111.8A91 L92 F98 F305A91-T94 WeakPolarHBondContact O-CA 3.3Å; A91-T94 VanDerWaalsContact O-CB 3.27Å; A91-T94 WeakPolarHBondContact O-CB 3.41Å; A91-T94 PolarHBondContact O-N 3.14Å; L92-T94 VanDerWaalsContact C-N 3.27Å; L92-T94 PolarHBondContact O-N 3.11Å; T94-F98 WeakPolarHBondContact O-CD2 3.46Å; T94-F98 WeakPolarHBondContact O-CE2 3.42Å; T94-F305 HydrophobicContact CG2-CD1 4.28Å; T94-F305 HydrophobicContact CG2-CD2 3.66Å; T94-F305 HydrophobicContact CG2-CE1 4.09Å; T94-F305 HydrophobicContact CG2-CE2 3.44Å; T94-F305 VanDerWaalsContact CG2-CE2 3.44Å; T94-F305 HydrophobicContact CG2-CG 4.08Å; T94-F305 HydrophobicContact CG2-CZ 3.67Å
95F95.4Very high91.8Very high0 Ų028.1 Ų28.10%018%0.179CC..Hα-helixtrans-96.4-21-173.1-64.6-65.7000114.6W19 A91 L92 P97 F98 A99 L496 L500 M516 P517 W518W19-F95 HydrophobicContact CH2-CB 4.34Å; W19-F95 AromaticContact CH2-CD2 3.82Å; W19-F95 HydrophobicContact CH2-CD2 3.82Å; W19-F95 HydrophobicContact CZ3-CB 3.86Å; W19-F95 HydrophobicContact CZ3-CD2 4.15Å; W19-F95 HydrophobicContact CZ3-CG 4.4Å; A91-F95 HydrophobicContact CB-CD2 3.9Å; A91-F95 HydrophobicContact CB-CE2 3.65Å; A91-F95 VanDerWaalsContact O-CD2 3.31Å; A91-F95 WeakPolarHBondContact O-CD2 3.38Å; A91-F95 PolarHBondContact O-N 2.69Å; L92-F95 PolarHBondContact O-N 2.82Å; F95-P97 VanDerWaalsContact C-CD 3.49Å; F95-F98 PolarHBondContact O-N 3.07Å; F95-A99 PolarHBondContact O-N 3Å; F95-L496 HydrophobicContact CE1-CB 4.44Å; F95-L496 HydrophobicContact CE2-CB 4.24Å; F95-L496 HydrophobicContact CZ-CB 3.58Å; F95-L500 HydrophobicContact CD1-CD2 4.44Å; F95-L500 HydrophobicContact CE1-CD2 4.07Å; F95-M516 HydrophobicContact CD1-CE 4.04Å; F95-M516 HydrophobicContact CD1-SD 4.03Å; F95-M516 HydrophobicContact CE1-CE 4.2Å; F95-P517 HydrophobicContact CB-CG 4.21Å; F95-P517 VanDerWaalsContact CD1-CD 3.42Å; F95-P517 HydrophobicContact CD1-CG 3.93Å; F95-P517 HydrophobicContact CD2-CG 3.4Å; F95-P517 VanDerWaalsContact CD2-CG 3.4Å; F95-P517 HydrophobicContact CE1-CG 4.09Å; F95-P517 HydrophobicContact CE2-CG 3.58Å; F95-P517 HydrophobicContact CG-CG 3.58Å; F95-P517 HydrophobicContact CZ-CG 3.92Å; F95-W518 HydrophobicContact CB-CZ3 4.25Å
96T95.3Very high92.3Very high0 Ų027.3 Ų27.30%018%0.175CC..Hα-helixtrans-59.8-37.8177.6-56.30000114.1L4 W7 Y22 L26 F44 L92 F98 A99 L100L4-T96 HydrophobicContact CD2-CG2 3.68Å; W7-T96 HydrophobicContact CE3-CG2 4.17Å; W7-T96 HydrophobicContact CZ3-CG2 3.97Å; Y22-T96 HydrophobicContact CE1-CG2 4.45Å; Y22-T96 WeakPolarHBondContact CE1-OG1 3.47Å; Y22-T96 WeakPolarHBondContact OH-CG2 3.4Å; Y22-T96 PolarHBondContact OH-OG1 3.44Å; L26-T96 HydrophobicContact CD1-CG2 4.2Å; F44-T96 HydrophobicContact CE1-CG2 4.31Å; F44-T96 HydrophobicContact CZ-CG2 3.87Å; L92-T96 WeakPolarHBondContact O-CB 3.25Å; L92-T96 PolarHBondContact O-N 3.15Å; L92-T96 PolarHBondContact O-OG1 3.03Å; T96-F98 VanDerWaalsContact C-N 3.34Å; T96-F98 PolarHBondContact O-N 3.11Å; T96-A99 WeakPolarHBondContact O-CB 3.46Å; T96-A99 PolarHBondContact O-N 2.93Å; T96-L100 HydrophobicContact CG2-CD1 3.86Å; T96-L100 HydrophobicContact CG2-CG 4.11Å; T96-L100 WeakPolarHBondContact O-CG 3.42Å; T96-L100 PolarHBondContact O-N 3.36Å
97P94.9Very high92.9Very high7 Ų724.2 Ų24.25%0.04515%0.153CC..Hα-helixtrans-56.6-46.9174-24.632.3000112.5F44 A93 F95 A99 L100 R101 V107 A302F44-P97 HydrophobicContact CB-CG 4.45Å; F44-P97 HydrophobicContact CD1-CG 3.73Å; F44-P97 HydrophobicContact CD2-CB 4.26Å; F44-P97 HydrophobicContact CD2-CG 3.85Å; F44-P97 HydrophobicContact CE1-CG 3.86Å; F44-P97 HydrophobicContact CE2-CB 4.28Å; F44-P97 HydrophobicContact CE2-CG 3.97Å; F44-P97 HydrophobicContact CG-CG 3.74Å; F44-P97 HydrophobicContact CZ-CG 3.98Å; A93-P97 WeakPolarHBondContact O-CD 3.46Å; F95-P97 VanDerWaalsContact C-CD 3.49Å; P97-A99 VanDerWaalsContact C-N 3.34Å; P97-A99 PolarHBondContact O-N 2.87Å; P97-L100 PolarHBondContact O-N 3.09Å; P97-R101 WeakPolarHBondContact O-CB 3.19Å; P97-R101 WeakPolarHBondContact O-CG 3.27Å; P97-R101 PolarHBondContact O-N 3.44Å; P97-V107 HydrophobicContact CB-CG1 3.95Å; P97-A302 HydrophobicContact CB-CB 3.81Å
98F95Very high93.4Very high26 Ų2622.7 Ų22.711%0.11414%0.142CC..Hα-helixtrans-65-36.7177.1-62-89.3000112.3T94 F95 T96 S102 F305 L500 M516 W518T94-F98 WeakPolarHBondContact O-CD2 3.46Å; T94-F98 WeakPolarHBondContact O-CE2 3.42Å; F95-F98 PolarHBondContact O-N 3.07Å; T96-F98 VanDerWaalsContact C-N 3.34Å; T96-F98 PolarHBondContact O-N 3.11Å; F98-S102 WeakPolarHBondContact O-CB 3.34Å; F98-S102 PolarHBondContact O-N 3.32Å; F98-F305 HydrophobicContact CE2-CB 4.44Å; F98-F305 HydrophobicContact CZ-CB 4.26Å; F98-L500 HydrophobicContact CD2-CD2 4.22Å; F98-L500 HydrophobicContact CE1-CD1 4.48Å; F98-L500 HydrophobicContact CE1-CD2 4.41Å; F98-L500 HydrophobicContact CE2-CD2 3.64Å; F98-L500 HydrophobicContact CZ-CD1 4.47Å; F98-L500 HydrophobicContact CZ-CD2 3.76Å; F98-L500 HydrophobicContact CZ-CG 4.48Å; F98-M516 HydrophobicContact CB-CE 4.21Å; F98-M516 HydrophobicContact CB-SD 3.41Å; F98-M516 WeakPolarHBondContact CB-SD 3.32Å; F98-M516 HydrophobicContact CD1-CE 4.19Å; F98-M516 HydrophobicContact CD1-SD 4.43Å; F98-M516 HydrophobicContact CD2-CE 4.43Å; F98-M516 HydrophobicContact CD2-SD 4.48Å; F98-M516 HydrophobicContact CG-CE 4.01Å; F98-M516 HydrophobicContact CG-SD 3.88Å; F98-W518 HydrophobicContact CB-CH2 4.25Å
99A95.4Very high93.6Very high0 Ų021.7 Ų21.70%014%0.138CC..Hα-helixtrans-61.3-53.8174.900000111.2M23 L26 F95 T96 P97 R101 S102 L103 W518M23-A99 HydrophobicContact CE-CB 4.29Å; M23-A99 HydrophobicContact SD-CB 3.47Å; M23-A99 WeakPolarHBondContact SD-CB 3.45Å; L26-A99 HydrophobicContact CD1-CB 3.64Å; F95-A99 PolarHBondContact O-N 3Å; T96-A99 WeakPolarHBondContact O-CB 3.46Å; T96-A99 PolarHBondContact O-N 2.93Å; P97-A99 VanDerWaalsContact C-N 3.34Å; P97-A99 PolarHBondContact O-N 2.87Å; A99-R101 VanDerWaalsContact C-N 3.33Å; A99-R101 PolarHBondContact O-N 3.41Å; A99-S102 PolarHBondContact O-N 2.9Å; A99-S102 VanDerWaalsContact O-N 3.09Å; A99-S102 PolarHBondContact O-OG 3.49Å; A99-L103 WeakPolarHBondContact O-CG 3.37Å; A99-L103 PolarHBondContact O-N 3.26Å; A99-L103 VanDerWaalsContact O-N 3.1Å; A99-W518 HydrophobicContact CB-CH2 3.67Å; A99-W518 HydrophobicContact CB-CZ2 4.39Å; A99-W518 HydrophobicContact CB-CZ3 3.85Å
100L95.7Very high93.7Very high1 Ų121.5 Ų21.51%0.00514%0.137CC..Hα-helixtrans-60.6-40.5178.6-70170.2000112.1W7 L26 V30 F42 F44 T96 P97 S102 L103 G104 Q105 V107W7-L100 HydrophobicContact CH2-CD1 4.4Å; W7-L100 HydrophobicContact CZ3-CD1 4.14Å; L26-L100 HydrophobicContact CD2-CD2 4.29Å; V30-L100 HydrophobicContact CG2-CD2 4.22Å; F42-L100 HydrophobicContact CB-CD1 4.23Å; F42-L100 HydrophobicContact CD1-CD1 3.72Å; F42-L100 HydrophobicContact CD2-CD1 4.02Å; F42-L100 HydrophobicContact CE1-CD1 3.94Å; F42-L100 HydrophobicContact CE1-CD2 4.14Å; F42-L100 HydrophobicContact CE2-CD1 4.25Å; F42-L100 HydrophobicContact CE2-CD2 3.95Å; F42-L100 HydrophobicContact CG-CD1 3.73Å; F42-L100 HydrophobicContact CZ-CD1 4.18Å; F42-L100 HydrophobicContact CZ-CD2 3.71Å; F44-L100 HydrophobicContact CE2-CD1 3.89Å; F44-L100 HydrophobicContact CZ-CD1 3.85Å; T96-L100 HydrophobicContact CG2-CD1 3.86Å; T96-L100 HydrophobicContact CG2-CG 4.11Å; T96-L100 WeakPolarHBondContact O-CG 3.42Å; T96-L100 PolarHBondContact O-N 3.36Å; P97-L100 PolarHBondContact O-N 3.09Å; L100-S102 PolarHBondContact O-N 3.28Å; L100-L103 CarbonylContact O-C 3.45Å; L100-L103 WeakPolarHBondContact O-CA 3.23Å; L100-L103 WeakPolarHBondContact O-CB 3.35Å; L100-L103 PolarHBondContact O-N 2.85Å; L100-L103 VanDerWaalsContact O-N 3.12Å; L100-G104 PolarHBondContact O-N 3.4Å; L100-Q105 HydrophobicContact CB-CB 4.34Å; L100-Q105 WeakPolarHBondContact O-CB 3.38Å; L100-Q105 WeakPolarHBondContact O-CG 3.38Å; L100-Q105 PolarHBondContact O-N 2.99Å; L100-Q105 VanDerWaalsContact O-N 3.08Å; L100-V107 HydrophobicContact CB-CG2 3.65Å
101R94.4Very high93.4Very high75 Ų7522.8 Ų22.828%0.28315%0.145SC..Hα-helixtrans-63.1-38.5173.1-74.9-166.662-172-7.3113P97 A99 L103 G104 V107 A301 E303P97-R101 WeakPolarHBondContact O-CB 3.19Å; P97-R101 WeakPolarHBondContact O-CG 3.27Å; P97-R101 PolarHBondContact O-N 3.44Å; A99-R101 VanDerWaalsContact C-N 3.33Å; A99-R101 PolarHBondContact O-N 3.41Å; R101-L103 PolarHBondContact O-N 3.24Å; R101-G104 PolarHBondContact O-N 3.22Å; R101-V107 HydrophobicContact CG-CB 3.74Å; R101-V107 HydrophobicContact CG-CG2 3.64Å; R101-A301 WeakPolarHBondContact CD-O 3.46Å; R101-A301 PolarHBondContact NH1-O 2.81Å; R101-E303 IonicContact CZ-OE1 2.84Å; R101-E303 VanDerWaalsContact NH1-CG 3.33Å; R101-E303 IonicContact NH1-OE1 3.26Å; R101-E303 PolarHBondContact NH1-OE1 3.47Å; R101-E303 IonicContact NH2-OE1 3.64Å; R101-E303 PolarHBondContact NH2-OE1 3.2Å
102S94.1Very high92.8Very high73 Ų7325.7 Ų25.751%0.5115%0.154SC..Hα-helixtrans-66.7-23.1174.478.10000113.1M23 F98 A99 L100 G104M23-S102 WeakPolarHBondContact CE-OG 3.37Å; F98-S102 WeakPolarHBondContact O-CB 3.34Å; F98-S102 PolarHBondContact O-N 3.32Å; A99-S102 PolarHBondContact O-N 2.9Å; A99-S102 VanDerWaalsContact O-N 3.09Å; A99-S102 PolarHBondContact O-OG 3.49Å; L100-S102 PolarHBondContact O-N 3.28Å; S102-G104 VanDerWaalsContact C-N 3.26Å
103L95.1Very high92.4Very high43 Ų4327.4 Ų27.423%0.22516%0.162CC..THydrogen-bonded Turntrans-87.614.9170.3-60170.9000112.8M23 L26 K27 V30 A99 L100 R101 Q105M23-L103 HydrophobicContact CE-CD2 4.46Å; M23-L103 HydrophobicContact CE-CG 4.39Å; L26-L103 HydrophobicContact CB-CD1 3.78Å; K27-L103 HydrophobicContact CB-CD1 4.27Å; K27-L103 HydrophobicContact CB-CD2 3.85Å; K27-L103 HydrophobicContact CG-CD2 4.11Å; V30-L103 HydrophobicContact CG2-CD1 4.44Å; A99-L103 WeakPolarHBondContact O-CG 3.37Å; A99-L103 PolarHBondContact O-N 3.26Å; A99-L103 VanDerWaalsContact O-N 3.1Å; L100-L103 CarbonylContact O-C 3.45Å; L100-L103 WeakPolarHBondContact O-CA 3.23Å; L100-L103 WeakPolarHBondContact O-CB 3.35Å; L100-L103 PolarHBondContact O-N 2.85Å; L100-L103 VanDerWaalsContact O-N 3.12Å; R101-L103 PolarHBondContact O-N 3.24Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 HydrophobicContact CB-CG 4.44Å; L103-Q105 PolarHBondContact O-N 3.16Å; L103-Q105 PolarHBondContact O-NE2 2.72Å
104G93.2Very high92.2Very high66 Ų6625.8 Ų25.868%0.6815%0.149SC*.THydrogen-bonded Turntrans71.120.1174.500000115.2L100 R101 S102L100-G104 PolarHBondContact O-N 3.4Å; R101-G104 PolarHBondContact O-N 3.22Å; S102-G104 VanDerWaalsContact C-N 3.26Å
105Q94.4Very high92.1Very high25 Ų2526.1 Ų26.112%0.11715%0.15CC..  trans-88.4148.7-180-53.3-53.6-73.900112V30 F42 L100 L103 V107V30-Q105 VanDerWaalsContact CG1-CD 3.41Å; V30-Q105 HydrophobicContact CG1-CG 4.07Å; V30-Q105 HydrophobicContact CG2-CG 3.81Å; F42-Q105 HydrophobicContact CD2-CB 3.95Å; F42-Q105 HydrophobicContact CE2-CB 3.72Å; F42-Q105 HydrophobicContact CE2-CG 3.85Å; L100-Q105 HydrophobicContact CB-CB 4.34Å; L100-Q105 WeakPolarHBondContact O-CB 3.38Å; L100-Q105 WeakPolarHBondContact O-CG 3.38Å; L100-Q105 PolarHBondContact O-N 2.99Å; L100-Q105 VanDerWaalsContact O-N 3.08Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 HydrophobicContact CB-CG 4.44Å; L103-Q105 PolarHBondContact O-N 3.16Å; L103-Q105 PolarHBondContact O-NE2 2.72Å; Q105-V107 HydrophobicContact CB-CG2 4.4Å; Q105-V107 PolarHBondContact O-N 3.19Å
106D93.8Very high91.9Very high33 Ų3326.6 Ų26.618%0.17615%0.152CC..EExtended strand (participates in β ladder)trans-74.3120.9169.5-74.2-25.5000109K39 V41 F42 F108 P681K39-D106 WeakPolarHBondContact CE-OD2 3.34Å; K39-D106 IonicContact NZ-OD2 3.47Å; K39-D106 PolarHBondContact NZ-OD2 3.3Å; V41-D106 HydrophobicContact CG1-CB 4.25Å; V41-D106 HydrophobicContact CG2-CB 4.27Å; F42-D106 PolarHBondContact N-O 3Å; D106-F108 HydrophobicContact CB-CE2 4.28Å; D106-P681 WeakPolarHBondContact OD1-CB 3.32Å; D106-P681 VanDerWaalsContact OD1-CG 3.24Å; D106-P681 WeakPolarHBondContact OD1-CG 3.38Å
107V95Very high91.6Very high4 Ų426.8 Ų26.82%0.02415%0.153CC..EExtended strand (participates in β ladder)trans-133.1131-178-172.60000109.4F42 F44 P97 L100 R101 Q105 A302F42-V107 HydrophobicContact CB-CG1 4.27Å; F42-V107 HydrophobicContact CB-CG2 4.26Å; F42-V107 HydrophobicContact CD2-CG2 4.31Å; F42-V107 CarbonylContact O-C 3.33Å; F42-V107 WeakPolarHBondContact O-CA 2.96Å; F44-V107 HydrophobicContact CD2-CG1 3.64Å; F44-V107 HydrophobicContact CE2-CG1 3.7Å; P97-V107 HydrophobicContact CB-CG1 3.95Å; L100-V107 HydrophobicContact CB-CG2 3.65Å; R101-V107 HydrophobicContact CG-CB 3.74Å; R101-V107 HydrophobicContact CG-CG2 3.64Å; Q105-V107 HydrophobicContact CB-CG2 4.4Å; Q105-V107 PolarHBondContact O-N 3.19Å; V107-A302 HydrophobicContact CB-CB 4.46Å; V107-A302 HydrophobicContact CG1-CB 3.94Å
108F93.4Very high91.6Very high5 Ų528.1 Ų28.12%0.02216%0.159CC..EExtended strand (participates in β ladder)trans-122.5145.9177.5-57.6-77.2000110.8V41 F42 F43 F44 D106 Y121 V300 P681 W683V41-F108 HydrophobicContact CG1-CD2 3.84Å; V41-F108 HydrophobicContact CG1-CE2 3.65Å; F42-F108 PolarHBondContact O-N 2.81Å; F43-F108 CarbonylContact C-O 3.58Å; F43-F108 WeakPolarHBondContact CA-O 3.4Å; F43-F108 HydrophobicContact CD1-CB 3.92Å; F43-F108 HydrophobicContact CE1-CB 3.84Å; F43-F108 HydrophobicContact CE1-CD2 4.2Å; F43-F108 HydrophobicContact CE1-CG 4.26Å; F43-F108 HydrophobicContact CE2-CD2 4.06Å; F43-F108 HydrophobicContact CG-CB 4.47Å; F43-F108 HydrophobicContact CZ-CB 4.32Å; F43-F108 AromaticContact CZ-CD2 3.81Å; F43-F108 HydrophobicContact CZ-CD2 3.81Å; F43-F108 HydrophobicContact CZ-CG 4.31Å; F44-F108 PolarHBondContact N-O 2.99Å; D106-F108 HydrophobicContact CB-CE2 4.28Å; F108-Y121 HydrophobicContact CE2-CE2 4.09Å; F108-V300 CarbonylContact C-O 3.52Å; F108-V300 WeakPolarHBondContact CA-O 3.49Å; F108-V300 HydrophobicContact CD1-CG1 4.47Å; F108-P681 HydrophobicContact CE1-CB 4.25Å; F108-P681 HydrophobicContact CZ-CB 3.97Å; F108-W683 HydrophobicContact CD1-CE3 4.21Å; F108-W683 HydrophobicContact CE1-CB 3.85Å; F108-W683 HydrophobicContact CE1-CE3 4.35Å; F108-W683 HydrophobicContact CG-CE3 4.41Å; F108-W683 HydrophobicContact CZ-CB 3.76Å
109C91.9Very high91.5Very high17 Ų1726.9 Ų26.912%0.11515%0.154CC..EExtended strand (participates in β ladder)trans-102.9134.7161.9-63.70000109.3F44 H299 V300 A302F44-C109 WeakPolarHBondContact O-CA 3.32Å; C109-H299 VanDerWaalsContact CB-O 3.31Å; C109-H299 WeakPolarHBondContact CB-O 3.49Å; C109-V300 PolarHBondContact N-O 2.92Å; C109-A302 WeakPolarHBondContact SG-CB 3.45Å
110S90Very high91.4Very high3 Ų326.9 Ų26.92%0.02115%0.154CC..  trans-67.6147.9179.877.80000111.3F44 G46 R112 E117 H299F44-S110 PolarHBondContact O-N 3.41Å; G46-S110 VanDerWaalsContact CA-O 3.3Å; G46-S110 WeakPolarHBondContact CA-O 3.12Å; G46-S110 PolarHBondContact N-OG 2.91Å; S110-R112 WeakPolarHBondContact CB-O 3.37Å; S110-R112 PolarHBondContact OG-O 3.36Å; S110-E117 WeakPolarHBondContact CA-OE1 3.32Å; S110-E117 WeakPolarHBondContact CB-OE1 3.39Å; S110-H299 PolarHBondContact O-NE2 2.82Å
111V84.5Confident91.2Very high30 Ų3027.9 Ų27.918%0.18216%0.157CC..SBendtrans-105-12.1170.6-72.70000111.5E117 R296 V300 Y308V111-E117 VanDerWaalsContact CG2-OE1 3.31Å; V111-E117 WeakPolarHBondContact CG2-OE1 3.42Å; V111-E117 PolarHBondContact N-OE1 2.87Å; V111-R296 HydrophobicContact CG1-CG 4.48Å; V111-V300 HydrophobicContact CG1-CG2 3.94Å; V111-Y308 HydrophobicContact CG1-CE2 4.38Å
112R80.3Confident91.2Very high68 Ų6824.5 Ų24.526%0.25715%0.146SC..SBendtrans-127.9-168.8171.5-58.817568.4178.1-0.9109.4S110 A114 E117S110-R112 WeakPolarHBondContact CB-O 3.37Å; S110-R112 PolarHBondContact OG-O 3.36Å; R112-A114 PolarHBondContact O-N 3.49Å; R112-E117 PolarHBondContact N-OE1 3.27Å
113E83.6Confident91.1Very high38 Ų3824.7 Ų24.718%0.17814%0.138CC..  trans-32.7122.3154.4-143.9-51.7109.500112.6E49 K52 D115 Y116 E117E49-E113 PolarHBondContact OE1-N 3.01Å; K52-E113 IonicContact NZ-OE1 2.74Å; K52-E113 PolarHBondContact NZ-OE1 3.4Å; E113-D115 VanDerWaalsContact OE2-CA 3.31Å; E113-D115 WeakPolarHBondContact OE2-CA 3.45Å; E113-D115 WeakPolarHBondContact OE2-CB 3.45Å; E113-D115 PolarHBondContact OE2-N 3.37Å; E113-Y116 PolarHBondContact OE2-N 3.2Å; E113-E117 PolarHBondContact O-N 3.49Å
114A88.6Confident90.8Very high3 Ų326.3 Ų26.33%0.02515%0.152CC..Hα-helixtrans-81-35-169.900000113R112 Y116 E117 I118R112-A114 PolarHBondContact O-N 3.49Å; A114-Y116 VanDerWaalsContact C-N 3.33Å; A114-E117 PolarHBondContact O-N 2.98Å; A114-I118 WeakPolarHBondContact O-CB 3.43Å; A114-I118 WeakPolarHBondContact O-CD1 3.47Å; A114-I118 WeakPolarHBondContact O-CG1 3.29Å; A114-I118 PolarHBondContact O-N 3.38Å
115D90.6Very high90.7Very high31 Ų3127.7 Ų27.717%0.16614%0.141CC..Hα-helixtrans-68.7-35.4178.6-58-42.2000110.5E113 A119 F137 Y140E113-D115 VanDerWaalsContact OE2-CA 3.31Å; E113-D115 WeakPolarHBondContact OE2-CA 3.45Å; E113-D115 WeakPolarHBondContact OE2-CB 3.45Å; E113-D115 PolarHBondContact OE2-N 3.37Å; D115-A119 VanDerWaalsContact O-CB 3.23Å; D115-A119 WeakPolarHBondContact O-CB 3.35Å; D115-A119 PolarHBondContact O-N 3.18Å; D115-F137 HydrophobicContact CB-CE1 3.74Å; D115-F137 HydrophobicContact CB-CZ 3.84Å; D115-F137 WeakPolarHBondContact OD1-CZ 3.39Å; D115-Y140 HydrophobicContact CB-CE2 4.38Å
116Y89.8Confident90.5Very high10 Ų1029.8 Ų29.84%0.03917%0.17CC..Hα-helixtrans-60.1-48.9167.6176.1-87.8000112.2E113 A114 I118 A119 S120 Y140 L265E113-Y116 PolarHBondContact OE2-N 3.2Å; A114-Y116 VanDerWaalsContact C-N 3.33Å; Y116-I118 PolarHBondContact O-N 3.08Å; Y116-A119 PolarHBondContact O-N 3.42Å; Y116-S120 VanDerWaalsContact O-CB 3.25Å; Y116-S120 WeakPolarHBondContact O-CB 3.35Å; Y116-S120 PolarHBondContact O-N 3.02Å; Y116-Y140 WeakPolarHBondContact CA-OH 3.43Å; Y116-Y140 HydrophobicContact CD2-CE1 4.1Å; Y116-Y140 PolarHBondContact N-OH 3.04Å; Y116-L265 HydrophobicContact CD2-CD2 4.21Å; Y116-L265 HydrophobicContact CE2-CD2 4Å
117E90.8Very high90.6Very high4 Ų430.1 Ų30.12%0.01917%0.174CC..Hα-helixtrans-65-39179.8-76.4-169.7-133.800111.9F43 S110 V111 R112 E113 A114 Y121 W683 H685F43-E117 HydrophobicContact CD1-CB 4.19Å; F43-E117 HydrophobicContact CE1-CB 4.06Å; S110-E117 WeakPolarHBondContact CA-OE1 3.32Å; S110-E117 WeakPolarHBondContact CB-OE1 3.39Å; V111-E117 VanDerWaalsContact CG2-OE1 3.31Å; V111-E117 WeakPolarHBondContact CG2-OE1 3.42Å; V111-E117 PolarHBondContact N-OE1 2.87Å; R112-E117 PolarHBondContact N-OE1 3.27Å; E113-E117 PolarHBondContact O-N 3.49Å; A114-E117 PolarHBondContact O-N 2.98Å; E117-Y121 VanDerWaalsContact O-CB 3.26Å; E117-Y121 WeakPolarHBondContact O-CB 3.4Å; E117-Y121 PolarHBondContact O-N 3.3Å; E117-W683 HydrophobicContact CB-CH2 4.37Å; E117-H685 IonicContact OE2-CE1 3.96Å; E117-H685 PolarHBondContact OE2-CE1 3.41Å; E117-H685 IonicContact OE2-ND1 2.78Å
118I93.9Very high90.6Very high35 Ų3537.4 Ų37.418%0.17921%0.21CC..Hα-helixtrans-60.7-50.6172.2-69.3161.2000110.7F43 A114 Y116 Y121 A122 I130 F137F43-I118 HydrophobicContact CB-CD1 3.81Å; F43-I118 HydrophobicContact CB-CG1 3.44Å; F43-I118 VanDerWaalsContact CB-CG1 3.44Å; F43-I118 HydrophobicContact CD1-CG1 4.23Å; F43-I118 HydrophobicContact CD2-CG1 3.67Å; F43-I118 HydrophobicContact CG-CD1 4.43Å; F43-I118 HydrophobicContact CG-CG1 3.51Å; A114-I118 WeakPolarHBondContact O-CB 3.43Å; A114-I118 WeakPolarHBondContact O-CD1 3.47Å; A114-I118 WeakPolarHBondContact O-CG1 3.29Å; A114-I118 PolarHBondContact O-N 3.38Å; Y116-I118 PolarHBondContact O-N 3.08Å; I118-Y121 PolarHBondContact O-N 3.44Å; I118-A122 VanDerWaalsContact O-CB 3.23Å; I118-A122 WeakPolarHBondContact O-CB 3.29Å; I118-A122 PolarHBondContact O-N 3.49Å; I118-I130 HydrophobicContact CG2-CD1 4.26Å; I118-I130 HydrophobicContact CG2-CG1 4.13Å; I118-I130 HydrophobicContact CG2-CG2 3.6Å; I118-F137 HydrophobicContact CB-CE1 3.95Å; I118-F137 HydrophobicContact CB-CZ 4.32Å; I118-F137 HydrophobicContact CD1-CE1 4.4Å; I118-F137 HydrophobicContact CD1-CZ 3.93Å; I118-F137 HydrophobicContact CG2-CE1 3.66Å; I118-F137 HydrophobicContact CG2-CZ 4.02Å
119A93.5Very high90.6Very high0 Ų038.3 Ų38.30%022%0.221CC..Hα-helixtrans-65.3-39.8-178.600000112D115 Y116 H123 I130 Y140 S142 L265D115-A119 VanDerWaalsContact O-CB 3.23Å; D115-A119 WeakPolarHBondContact O-CB 3.35Å; D115-A119 PolarHBondContact O-N 3.18Å; Y116-A119 PolarHBondContact O-N 3.42Å; A119-H123 WeakPolarHBondContact O-CB 3.28Å; A119-H123 PolarHBondContact O-N 3.48Å; A119-I130 HydrophobicContact CB-CD1 4.44Å; A119-Y140 HydrophobicContact CB-CD1 3.8Å; A119-Y140 HydrophobicContact CB-CD2 3.76Å; A119-Y140 HydrophobicContact CB-CE1 4.25Å; A119-Y140 HydrophobicContact CB-CE2 4.24Å; A119-Y140 HydrophobicContact CB-CG 3.54Å; A119-S142 WeakPolarHBondContact O-CB 3.49Å; A119-S142 PolarHBondContact O-OG 3.18Å; A119-L265 HydrophobicContact CB-CD1 4.19Å; A119-L265 HydrophobicContact CB-CD2 4.13Å
120S91.9Very high90.8Very high0 Ų037.9 Ų37.90%022%0.217CC..Hα-helixtrans-65.5-46.6174.7179.50000111.6Y116 A122 H123 C124Y116-S120 VanDerWaalsContact O-CB 3.25Å; Y116-S120 WeakPolarHBondContact O-CB 3.35Å; Y116-S120 PolarHBondContact O-N 3.02Å; S120-A122 VanDerWaalsContact C-N 3.35Å; S120-A122 PolarHBondContact O-N 3.16Å; S120-H123 PolarHBondContact O-N 3.4Å; S120-C124 WeakPolarHBondContact O-CB 3.46Å; S120-C124 PolarHBondContact O-N 3.03Å; S120-C124 PolarHBondContact O-SG 3.43Å
121Y92.3Very high91Very high22 Ų2240.1 Ų40.19%0.08623%0.229CC..Hα-helixtrans-59.3-47.3175.9-176.5-82.4000111.2V41 F43 F108 E117 I118 H123 C124 H125 W683V41-Y121 HydrophobicContact CB-CE1 4.24Å; V41-Y121 HydrophobicContact CG1-CD1 4.5Å; V41-Y121 HydrophobicContact CG1-CE1 3.98Å; V41-Y121 HydrophobicContact CG2-CE1 4.01Å; F43-Y121 HydrophobicContact CE2-CD1 4.22Å; F43-Y121 HydrophobicContact CE2-CD2 4.25Å; F43-Y121 AromaticContact CE2-CG 3.88Å; F43-Y121 HydrophobicContact CE2-CG 3.88Å; F43-Y121 HydrophobicContact CZ-CD1 4.47Å; F43-Y121 AromaticContact CZ-CD2 3.76Å; F43-Y121 HydrophobicContact CZ-CD2 3.76Å; F43-Y121 AromaticContact CZ-CG 3.69Å; F43-Y121 HydrophobicContact CZ-CG 3.69Å; F108-Y121 HydrophobicContact CE2-CE2 4.09Å; E117-Y121 VanDerWaalsContact O-CB 3.26Å; E117-Y121 WeakPolarHBondContact O-CB 3.4Å; E117-Y121 PolarHBondContact O-N 3.3Å; I118-Y121 PolarHBondContact O-N 3.44Å; Y121-H123 VanDerWaalsContact C-N 3.34Å; Y121-H123 PolarHBondContact O-N 3.01Å; Y121-C124 PolarHBondContact O-N 3.28Å; Y121-H125 AromaticContact CD1-ND1 3.74Å; Y121-H125 AromaticContact CD2-CE1 3.41Å; Y121-H125 VanDerWaalsContact CD2-CE1 3.41Å; Y121-H125 WeakPolarHBondContact CD2-CE1 3.3Å; Y121-H125 AromaticContact CD2-ND1 3.59Å; Y121-H125 HydrophobicContact CE1-CB 4.31Å; Y121-H125 AromaticContact CE1-CG 3.97Å; Y121-H125 AromaticContact CE1-ND1 3.71Å; Y121-H125 AromaticContact CE2-CE1 3.23Å; Y121-H125 WeakPolarHBondContact CE2-CE1 3.42Å; Y121-H125 AromaticContact CE2-ND1 3.57Å; Y121-H125 AromaticContact CE2-NE2 3.77Å; Y121-H125 AromaticContact CG-CE1 3.98Å; Y121-H125 AromaticContact CG-ND1 3.67Å; Y121-H125 AromaticContact CZ-CE1 3.66Å; Y121-H125 AromaticContact CZ-CG 3.9Å; Y121-H125 AromaticContact CZ-ND1 3.61Å; Y121-H125 AromaticContact CZ-NE2 3.97Å; Y121-H125 PolarHBondContact O-N 3.29Å; Y121-H125 PolarHBondContact O-ND1 3.23Å; Y121-W683 AromaticContact CD2-CD1 3.92Å; Y121-W683 AromaticContact CD2-CD2 3.72Å; Y121-W683 HydrophobicContact CD2-CD2 3.72Å; Y121-W683 AromaticContact CD2-CE2 3.63Å; Y121-W683 HydrophobicContact CD2-CE3 4.27Å; Y121-W683 AromaticContact CD2-CG 3.89Å; Y121-W683 HydrophobicContact CD2-CG 3.89Å; Y121-W683 HydrophobicContact CD2-CZ2 4.07Å; Y121-W683 AromaticContact CD2-NE1 3.8Å; Y121-W683 HydrophobicContact CE2-CB 4.21Å; Y121-W683 AromaticContact CE2-CD1 3.97Å; Y121-W683 HydrophobicContact CE2-CD2 4.15Å; Y121-W683 AromaticContact CE2-CG 3.86Å; Y121-W683 HydrophobicContact CE2-CG 3.86Å
122A93.9Very high91.4Very high5 Ų538.8 Ų38.84%0.04122%0.221CC..Hα-helixtrans-62.8-39.8-177.800000112.4I118 S120 G126 S127 I130 S142 A143I118-A122 VanDerWaalsContact O-CB 3.23Å; I118-A122 WeakPolarHBondContact O-CB 3.29Å; I118-A122 PolarHBondContact O-N 3.49Å; S120-A122 VanDerWaalsContact C-N 3.35Å; S120-A122 PolarHBondContact O-N 3.16Å; A122-G126 PolarHBondContact O-N 3.32Å; A122-S127 PolarHBondContact O-N 2.94Å; A122-I130 HydrophobicContact CB-CD1 3.91Å; A122-I130 HydrophobicContact CB-CG1 3.72Å; A122-S142 WeakPolarHBondContact CB-OG 3.34Å; A122-A143 HydrophobicContact CB-CB 4.01Å
123H91.6Very high91.9Very high76 Ų7638.9 Ų38.935%0.35223%0.225SC..Hα-helixtrans-64.2-55.7173.6-177104.7000111.1A119 S120 Y121 H125 G126 D141 S142 L265A119-H123 WeakPolarHBondContact O-CB 3.28Å; A119-H123 PolarHBondContact O-N 3.48Å; S120-H123 PolarHBondContact O-N 3.4Å; Y121-H123 VanDerWaalsContact C-N 3.34Å; Y121-H123 PolarHBondContact O-N 3.01Å; H123-H125 VanDerWaalsContact C-N 3.27Å; H123-H125 PolarHBondContact O-N 2.97Å; H123-G126 PolarHBondContact O-N 2.83Å; H123-D141 PolarHBondContact ND1-O 3.3Å; H123-S142 PolarHBondContact N-OG 2.94Å; H123-L265 HydrophobicContact CB-CD1 4.01Å
124C90.3Very high92.2Very high77 Ų7740.1 Ų40.152%0.5223%0.232SC..Hα-helixtrans-63.9-26.2-174.4-66.70000114.5S120 Y121S120-C124 WeakPolarHBondContact O-CB 3.46Å; S120-C124 PolarHBondContact O-N 3.03Å; S120-C124 PolarHBondContact O-SG 3.43Å; Y121-C124 PolarHBondContact O-N 3.28Å
125H90.2Very high92.3Very high95 Ų9544.7 Ų44.744%0.4426%0.26SS..THydrogen-bonded Turntrans-101.32.5179.2-60.684.8000114Y121 H123 S127 W683Y121-H125 AromaticContact CD1-ND1 3.74Å; Y121-H125 AromaticContact CD2-CE1 3.41Å; Y121-H125 VanDerWaalsContact CD2-CE1 3.41Å; Y121-H125 WeakPolarHBondContact CD2-CE1 3.3Å; Y121-H125 AromaticContact CD2-ND1 3.59Å; Y121-H125 HydrophobicContact CE1-CB 4.31Å; Y121-H125 AromaticContact CE1-CG 3.97Å; Y121-H125 AromaticContact CE1-ND1 3.71Å; Y121-H125 AromaticContact CE2-CE1 3.23Å; Y121-H125 WeakPolarHBondContact CE2-CE1 3.42Å; Y121-H125 AromaticContact CE2-ND1 3.57Å; Y121-H125 AromaticContact CE2-NE2 3.77Å; Y121-H125 AromaticContact CG-CE1 3.98Å; Y121-H125 AromaticContact CG-ND1 3.67Å; Y121-H125 AromaticContact CZ-CE1 3.66Å; Y121-H125 AromaticContact CZ-CG 3.9Å; Y121-H125 AromaticContact CZ-ND1 3.61Å; Y121-H125 AromaticContact CZ-NE2 3.97Å; Y121-H125 PolarHBondContact O-N 3.29Å; Y121-H125 PolarHBondContact O-ND1 3.23Å; H123-H125 VanDerWaalsContact C-N 3.27Å; H123-H125 PolarHBondContact O-N 2.97Å; H125-S127 VanDerWaalsContact C-N 3.34Å; H125-S127 PolarHBondContact O-N 2.79Å; H125-W683 AromaticContact CE1-CD1 3.42Å; H125-W683 VanDerWaalsContact CE1-CD1 3.42Å; H125-W683 AromaticContact CE1-NE1 3.6Å; H125-W683 AromaticContact NE2-CD1 3.86Å
126G91.4Very high92.4Very high70 Ų7044.8 Ų44.872%0.72226%0.261SS*.THydrogen-bonded Turntrans59.443.3-176.600000112.8A122 H123A122-G126 PolarHBondContact O-N 3.32Å; H123-G126 PolarHBondContact O-N 2.83Å
127S94.9Very high92.6Very high39 Ų3944.8 Ų44.827%0.27326%0.261SS..  trans-65.6148.8-173.9-670000112.5A122 H125 G129 A143A122-S127 PolarHBondContact O-N 2.94Å; H125-S127 VanDerWaalsContact C-N 3.34Å; H125-S127 PolarHBondContact O-N 2.79Å; S127-G129 VanDerWaalsContact C-N 3.28Å; S127-G129 PolarHBondContact O-N 3.44Å; S127-A143 WeakPolarHBondContact O-CB 3.3Å
128M94.5Very high92.7Very high157 Ų15745.8 Ų45.877%0.77327%0.266SS*.SBendtrans-63.8-30.6-178.2-175.1-175.9-68.200113.4
129G94.6Very high92.7Very high24 Ų2444.9 Ų44.925%0.24726%0.261CS..  trans175.1162.8179.600000111.9S127 P144S127-G129 VanDerWaalsContact C-N 3.28Å; S127-G129 PolarHBondContact O-N 3.44Å; G129-P144 CarbonylContact C-O 3.51Å; G129-P144 WeakPolarHBondContact CA-O 3.4Å
130I95.8Very high92.7Very high8 Ų845.3 Ų45.34%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-101.8117.2174.1-63.2166.1000107.9I118 A119 A122 F137 A143 P144 L146I118-I130 HydrophobicContact CG2-CD1 4.26Å; I118-I130 HydrophobicContact CG2-CG1 4.13Å; I118-I130 HydrophobicContact CG2-CG2 3.6Å; A119-I130 HydrophobicContact CB-CD1 4.44Å; A122-I130 HydrophobicContact CB-CD1 3.91Å; A122-I130 HydrophobicContact CB-CG1 3.72Å; I130-F137 HydrophobicContact CD1-CD1 3.9Å; I130-F137 HydrophobicContact CD1-CE1 4.48Å; I130-F137 HydrophobicContact CG2-CD1 3.76Å; I130-F137 HydrophobicContact CG2-CD2 3.95Å; I130-F137 HydrophobicContact CG2-CE1 3.84Å; I130-F137 HydrophobicContact CG2-CE2 4.03Å; I130-F137 HydrophobicContact CG2-CG 3.82Å; I130-F137 HydrophobicContact CG2-CZ 3.97Å; I130-A143 HydrophobicContact CG1-CB 4.37Å; I130-P144 PolarHBondContact N-O 3.38Å; I130-L146 PolarHBondContact O-N 2.74Å
131L94.1Very high92.7Very high50 Ų5048.2 Ų48.226%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-93109.4176.2-175.369.7000110W29 F33 L146 V148 L151W29-L131 HydrophobicContact CH2-CD2 3.95Å; W29-L131 HydrophobicContact CZ2-CD2 3.89Å; F33-L131 HydrophobicContact CZ-CD2 4.15Å; L131-L146 WeakPolarHBondContact CA-O 3.43Å; L131-L146 HydrophobicContact CD1-CB 3.95Å; L131-V148 HydrophobicContact CD1-CB 4.19Å; L131-V148 HydrophobicContact CD2-CG2 4.42Å; L131-V148 HydrophobicContact CG-CB 4.11Å; L131-V148 HydrophobicContact CG-CG2 4.37Å; L131-L151 HydrophobicContact CD2-CD2 4.1Å
132G92.6Very high92.7Very high3 Ų348.6 Ų48.63%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-154.5-168.8-174.800000113.3L146 S147 V148G132-L146 PolarHBondContact N-O 2.84Å; G132-S147 CarbonylContact O-C 3.58Å; G132-S147 WeakPolarHBondContact O-CA 3.28Å; G132-V148 WeakPolarHBondContact O-CG1 3.44Å; G132-V148 PolarHBondContact O-N 3.24Å
133Q91Very high92.6Very high70 Ų7048.9 Ų48.933%0.32729%0.287SS..SBendtrans-1348.5171.6-156.839.168.800113.4Y145 S147 V148 A149Q133-Y145 VanDerWaalsContact CA-OH 3.26Å; Q133-Y145 WeakPolarHBondContact CA-OH 3.26Å; Q133-S147 PolarHBondContact OE1-OG 3.26Å; Q133-V148 HydrophobicContact CB-CG1 3.94Å; Q133-A149 HydrophobicContact CG-CB 4.22Å
134D90.4Very high92.7Very high63 Ų6348 Ų4834%0.33729%0.288SS..  trans-91.6143.1177.2-148.3-66.4000111.3D136 F137 Y145D134-D136 VanDerWaalsContact C-N 3.35Å; D134-D136 PolarHBondContact OD1-N 2.82Å; D134-D136 VanDerWaalsContact OD1-N 3.1Å; D134-F137 HydrophobicContact CB-CD2 4.1Å; D134-F137 HydrophobicContact CB-CE2 3.94Å; D134-Y145 PolarHBondContact N-OH 2.98Å; D134-Y145 WeakPolarHBondContact O-CE1 3.44Å; D134-Y145 PolarHBondContact O-OH 2.68Å
135T91Very high92.9Very high99 Ų9944.8 Ų44.861%0.60727%0.265SS*.SBendtrans-77.5-21.4178.940.60000113F137 I138T135-F137 PolarHBondContact O-N 2.95Å; T135-F137 VanDerWaalsContact O-N 3.15Å; T135-I138 WeakPolarHBondContact O-CB 3.48Å; T135-I138 WeakPolarHBondContact O-CG2 3.19Å; T135-I138 PolarHBondContact O-N 2.87Å
136D91.8Very high93.2Very high33 Ų3342.4 Ų42.418%0.17626%0.255CS..G310 helixtrans-62.8-26.5-175.1-83.230000112.8D134 I138 I139 Y140 Y263D134-D136 VanDerWaalsContact C-N 3.35Å; D134-D136 PolarHBondContact OD1-N 2.82Å; D134-D136 VanDerWaalsContact OD1-N 3.1Å; D136-I138 PolarHBondContact O-N 2.96Å; D136-I138 VanDerWaalsContact O-N 3.07Å; D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 2.89Å; D136-Y140 HydrophobicContact CB-CE2 4.29Å; D136-Y140 WeakPolarHBondContact O-CD2 3.35Å; D136-Y140 PolarHBondContact O-N 3.22Å; D136-Y263 HydrophobicContact CB-CE1 4.06Å; D136-Y263 VanDerWaalsContact OD2-CE1 3.23Å; D136-Y263 WeakPolarHBondContact OD2-CE1 3.45Å; D136-Y263 VanDerWaalsContact OD2-CZ 3.31Å; D136-Y263 PolarHBondContact OD2-OH 2.99Å
137F93.9Very high93.3Very high10 Ų1039.1 Ų39.14%0.04422%0.221CC..G310 helixtrans-58.9-16.2170.4-61.4-53.4000115.1D115 I118 I130 D134 T135 Y140 Y145D115-F137 HydrophobicContact CB-CE1 3.74Å; D115-F137 HydrophobicContact CB-CZ 3.84Å; D115-F137 WeakPolarHBondContact OD1-CZ 3.39Å; I118-F137 HydrophobicContact CB-CE1 3.95Å; I118-F137 HydrophobicContact CB-CZ 4.32Å; I118-F137 HydrophobicContact CD1-CE1 4.4Å; I118-F137 HydrophobicContact CD1-CZ 3.93Å; I118-F137 HydrophobicContact CG2-CE1 3.66Å; I118-F137 HydrophobicContact CG2-CZ 4.02Å; I130-F137 HydrophobicContact CD1-CD1 3.9Å; I130-F137 HydrophobicContact CD1-CE1 4.48Å; I130-F137 HydrophobicContact CG2-CD1 3.76Å; I130-F137 HydrophobicContact CG2-CD2 3.95Å; I130-F137 HydrophobicContact CG2-CE1 3.84Å; I130-F137 HydrophobicContact CG2-CE2 4.03Å; I130-F137 HydrophobicContact CG2-CG 3.82Å; I130-F137 HydrophobicContact CG2-CZ 3.97Å; D134-F137 HydrophobicContact CB-CD2 4.1Å; D134-F137 HydrophobicContact CB-CE2 3.94Å; T135-F137 PolarHBondContact O-N 2.95Å; T135-F137 VanDerWaalsContact O-N 3.15Å; F137-Y140 HydrophobicContact CD1-CD2 4.47Å; F137-Y145 HydrophobicContact CB-CD1 4.24Å; F137-Y145 HydrophobicContact CB-CD2 3.9Å; F137-Y145 HydrophobicContact CB-CG 3.77Å; F137-Y145 HydrophobicContact CD2-CD2 4.16Å; F137-Y145 HydrophobicContact CD2-CE2 4.18Å; F137-Y145 HydrophobicContact CG-CD2 4.43Å
138I93.8Very high93.1Very high25 Ų2537.5 Ų37.513%0.12821%0.21CC..G310 helixtrans-85.1-17.4172.7-145172.7000113.1T135 D136 Y145 R163 L166T135-I138 WeakPolarHBondContact O-CB 3.48Å; T135-I138 WeakPolarHBondContact O-CG2 3.19Å; T135-I138 PolarHBondContact O-N 2.87Å; D136-I138 PolarHBondContact O-N 2.96Å; D136-I138 VanDerWaalsContact O-N 3.07Å; I138-Y145 HydrophobicContact CB-CD1 4.43Å; I138-R163 HydrophobicContact CG1-CB 4.38Å; I138-R163 VanDerWaalsContact O-CD 3.32Å; I138-R163 WeakPolarHBondContact O-CD 3.41Å; I138-R163 VanDerWaalsContact O-CG 3.31Å; I138-R163 WeakPolarHBondContact O-CG 3.41Å; I138-L166 HydrophobicContact CD1-CB 4.46Å; I138-L166 HydrophobicContact CD1-CD2 3.82Å; I138-L166 HydrophobicContact CG1-CD2 4.44Å; I138-L166 HydrophobicContact CG2-CD2 4.28Å
139I94.1Very high92.9Very high16 Ų1632.1 Ų32.18%0.08219%0.191CC..THydrogen-bonded Turntrans-86.1-44.3-178.9-51.1-57.8000110.1D136 R163 L177 P178 A181 Y263D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 2.89Å; I139-R163 PolarHBondContact O-NE 3.48Å; I139-L177 HydrophobicContact CD1-CB 4.18Å; I139-L177 HydrophobicContact CG2-CB 4.28Å; I139-P178 HydrophobicContact CG2-CB 4.42Å; I139-P178 HydrophobicContact CG2-CG 4.12Å; I139-A181 HydrophobicContact CD1-CB 4.13Å; I139-A181 HydrophobicContact CG1-CB 4.12Å; I139-A181 HydrophobicContact CG2-CB 4.24Å; I139-Y263 HydrophobicContact CB-CD1 3.98Å; I139-Y263 HydrophobicContact CB-CE1 4.08Å; I139-Y263 HydrophobicContact CB-CG 4.34Å; I139-Y263 HydrophobicContact CG2-CD1 3.75Å; I139-Y263 HydrophobicContact CG2-CD2 3.75Å; I139-Y263 HydrophobicContact CG2-CE1 4.08Å; I139-Y263 HydrophobicContact CG2-CE2 4.02Å; I139-Y263 HydrophobicContact CG2-CG 3.6Å
140Y92.3Very high92.8Very high9 Ų937.1 Ų37.14%0.03521%0.205CC..SBendtrans-56.1143.9176.3-73.1-71000113.2D115 Y116 A119 D136 F137 S142 S262 Y263 L265D115-Y140 HydrophobicContact CB-CE2 4.38Å; Y116-Y140 WeakPolarHBondContact CA-OH 3.43Å; Y116-Y140 HydrophobicContact CD2-CE1 4.1Å; Y116-Y140 PolarHBondContact N-OH 3.04Å; A119-Y140 HydrophobicContact CB-CD1 3.8Å; A119-Y140 HydrophobicContact CB-CD2 3.76Å; A119-Y140 HydrophobicContact CB-CE1 4.25Å; A119-Y140 HydrophobicContact CB-CE2 4.24Å; A119-Y140 HydrophobicContact CB-CG 3.54Å; D136-Y140 HydrophobicContact CB-CE2 4.29Å; D136-Y140 WeakPolarHBondContact O-CD2 3.35Å; D136-Y140 PolarHBondContact O-N 3.22Å; F137-Y140 HydrophobicContact CD1-CD2 4.47Å; Y140-S142 VanDerWaalsContact C-N 3.27Å; Y140-S142 PolarHBondContact O-N 3.31Å; Y140-S142 VanDerWaalsContact O-N 3.09Å; Y140-S262 WeakPolarHBondContact CE1-O 3.47Å; Y140-S262 PolarHBondContact OH-O 3.49Å; Y140-Y263 HydrophobicContact CD1-CD1 4.12Å; Y140-Y263 HydrophobicContact CD2-CD1 4.2Å; Y140-Y263 AromaticContact CE1-CD1 3.84Å; Y140-Y263 HydrophobicContact CE1-CD1 3.84Å; Y140-Y263 AromaticContact CE2-CD1 3.9Å; Y140-Y263 HydrophobicContact CE2-CD1 3.9Å; Y140-Y263 HydrophobicContact CE2-CE1 4.15Å; Y140-Y263 HydrophobicContact CG-CD1 4.29Å; Y140-Y263 AromaticContact CZ-CD1 3.7Å; Y140-L265 HydrophobicContact CD1-CD1 4.37Å; Y140-L265 HydrophobicContact CD1-CD2 3.76Å; Y140-L265 HydrophobicContact CD1-CG 4.08Å; Y140-L265 HydrophobicContact CE1-CD2 4.07Å
141D91.4Very high92.6Very high62 Ų6238.2 Ų38.233%0.33221%0.211SC..SBendtrans-86.663.9174.7-141.9-29.7000111.7H123 R163 H268H123-D141 PolarHBondContact ND1-O 3.3Å; D141-R163 IonicContact OD1-CZ 3.39Å; D141-R163 IonicContact OD1-NH1 2.69Å; D141-R163 PolarHBondContact OD1-NH1 2.84Å; D141-R163 IonicContact OD2-CZ 3.77Å; D141-R163 IonicContact OD2-NH1 3.37Å; D141-R163 PolarHBondContact OD2-NH1 2.86Å; D141-R163 IonicContact OD2-NH2 3.26Å; D141-R163 PolarHBondContact OD2-NH2 3.26Å; D141-H268 IonicContact OD2-CE1 3.3Å
142S92.6Very high92.5Very high29 Ų2944.8 Ų44.820%0.20323%0.233CC..SBendtrans-127.6-160.8-170.7-1640000112.4A119 A122 H123 Y140A119-S142 WeakPolarHBondContact O-CB 3.49Å; A119-S142 PolarHBondContact O-OG 3.18Å; A122-S142 WeakPolarHBondContact CB-OG 3.34Å; H123-S142 PolarHBondContact N-OG 2.94Å; Y140-S142 VanDerWaalsContact C-N 3.27Å; Y140-S142 PolarHBondContact O-N 3.31Å; Y140-S142 VanDerWaalsContact O-N 3.09Å
143A92.6Very high92.3Very high11 Ų1147.1 Ų47.19%0.09124%0.244CC..SBendtrans-65.3156.5176.300000112.3A122 S127 I130 Y145A122-A143 HydrophobicContact CB-CB 4.01Å; S127-A143 WeakPolarHBondContact O-CB 3.3Å; I130-A143 HydrophobicContact CG1-CB 4.37Å; A143-Y145 PolarHBondContact O-N 3.28Å
144P93.3Very high92Very high59 Ų5951.2 Ų51.238%0.38327%0.268SS..PPolyproline II helixtrans-54.7133.2-178.9-26.534.2000113.8G129 I130 M160G129-P144 CarbonylContact C-O 3.51Å; G129-P144 WeakPolarHBondContact CA-O 3.4Å; I130-P144 PolarHBondContact N-O 3.38Å; P144-M160 HydrophobicContact CB-CG 4.08Å; P144-M160 HydrophobicContact CB-SD 3.84Å
145Y95.6Very high92Very high8 Ų850.6 Ų50.63%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-80126.5177.9172.3-145.2000111.4Q133 D134 F137 I138 A143 M160 Y161Q133-Y145 VanDerWaalsContact CA-OH 3.26Å; Q133-Y145 WeakPolarHBondContact CA-OH 3.26Å; D134-Y145 PolarHBondContact N-OH 2.98Å; D134-Y145 WeakPolarHBondContact O-CE1 3.44Å; D134-Y145 PolarHBondContact O-OH 2.68Å; F137-Y145 HydrophobicContact CB-CD1 4.24Å; F137-Y145 HydrophobicContact CB-CD2 3.9Å; F137-Y145 HydrophobicContact CB-CG 3.77Å; F137-Y145 HydrophobicContact CD2-CD2 4.16Å; F137-Y145 HydrophobicContact CD2-CE2 4.18Å; F137-Y145 HydrophobicContact CG-CD2 4.43Å; I138-Y145 HydrophobicContact CB-CD1 4.43Å; A143-Y145 PolarHBondContact O-N 3.28Å; Y145-M160 CarbonylContact O-C 3.57Å; Y145-M160 WeakPolarHBondContact O-CA 3.41Å; Y145-Y161 AromaticContact CD1-CD2 3.47Å; Y145-Y161 HydrophobicContact CD1-CD2 3.47Å; Y145-Y161 VanDerWaalsContact CD1-CD2 3.47Å; Y145-Y161 HydrophobicContact CD1-CE2 4.38Å; Y145-Y161 AromaticContact CD1-CG 3.97Å; Y145-Y161 HydrophobicContact CD1-CG 3.97Å; Y145-Y161 AromaticContact CE1-CD2 3.36Å; Y145-Y161 HydrophobicContact CE1-CD2 3.36Å; Y145-Y161 AromaticContact CE1-CE2 3.82Å; Y145-Y161 HydrophobicContact CE1-CE2 3.82Å; Y145-Y161 HydrophobicContact CE1-CG 4.11Å; Y145-Y161 HydrophobicContact CG-CD2 4.12Å; Y145-Y161 AromaticContact CZ-CD2 3.9Å; Y145-Y161 PolarHBondContact O-N 3.43Å
146L95.3Very high92Very high45 Ų4548.1 Ų48.124%0.23626%0.259CS..EExtended strand (participates in β ladder)trans-118.1132.5-179.3-56.5177.2000110.4I130 L131 G132 T158 M160I130-L146 PolarHBondContact O-N 2.74Å; L131-L146 WeakPolarHBondContact CA-O 3.43Å; L131-L146 HydrophobicContact CD1-CB 3.95Å; G132-L146 PolarHBondContact N-O 2.84Å; L146-T158 HydrophobicContact CB-CG2 3.97Å; L146-T158 HydrophobicContact CD2-CG2 4.29Å; L146-M160 HydrophobicContact CD2-CB 3.68Å; L146-M160 HydrophobicContact CD2-CG 3.8Å
147S93.8Very high92.2Very high1 Ų150.2 Ų50.21%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-73.1128.7176.7178.20000112G132 Q133 A149 K150 T158 V159G132-S147 CarbonylContact O-C 3.58Å; G132-S147 WeakPolarHBondContact O-CA 3.28Å; Q133-S147 PolarHBondContact OE1-OG 3.26Å; S147-A149 PolarHBondContact OG-N 3.26Å; S147-K150 PolarHBondContact OG-N 3.37Å; S147-T158 PolarHBondContact O-OG1 3.06Å; S147-V159 PolarHBondContact N-O 3.03Å
148V91.6Very high92.2Very high5 Ų552 Ų523%0.0329%0.285CS..SBendtrans-75.7-35.1165.770.70000111.4C3 H6 L131 G132 Q133 K150 L151C3-V148 HydrophobicContact CB-CG2 4.46Å; H6-V148 HydrophobicContact CB-CG2 4.35Å; L131-V148 HydrophobicContact CD1-CB 4.19Å; L131-V148 HydrophobicContact CD2-CG2 4.42Å; L131-V148 HydrophobicContact CG-CB 4.11Å; L131-V148 HydrophobicContact CG-CG2 4.37Å; G132-V148 WeakPolarHBondContact O-CG1 3.44Å; G132-V148 PolarHBondContact O-N 3.24Å; Q133-V148 HydrophobicContact CB-CG1 3.94Å; V148-K150 VanDerWaalsContact C-N 3.26Å; V148-K150 PolarHBondContact O-N 3.05Å; V148-L151 VanDerWaalsContact O-CB 3.3Å; V148-L151 WeakPolarHBondContact O-CB 3.41Å; V148-L151 PolarHBondContact O-N 2.89Å; V148-L151 VanDerWaalsContact O-N 3.15Å
149A89.8Confident92.3Very high45 Ų4553.9 Ų53.937%0.37230%0.297SS..THydrogen-bonded Turntrans-71-17.9-178.500000114.3Q133 S147Q133-A149 HydrophobicContact CG-CB 4.22Å; S147-A149 PolarHBondContact OG-N 3.26Å
150K92.3Very high92.4Very high128 Ų12857.7 Ų57.756%0.55732%0.316SS*.THydrogen-bonded Turntrans-101.60.5173.2-56.4-57.6-177.5-173.50113.6S147 V148 R152 V159S147-K150 PolarHBondContact OG-N 3.37Å; V148-K150 VanDerWaalsContact C-N 3.26Å; V148-K150 PolarHBondContact O-N 3.05Å; K150-R152 PolarHBondContact O-N 3.46Å; K150-V159 HydrophobicContact CB-CB 4.24Å; K150-V159 HydrophobicContact CB-CG2 3.88Å; K150-V159 HydrophobicContact CG-CB 4.38Å; K150-V159 HydrophobicContact CG-CG2 3.98Å
151L92.3Very high92.4Very high32 Ų3261.2 Ų61.217%0.16833%0.33CS..  trans-68.7127.7-180178.466.6000111.4W29 F33 L131 V148 T158W29-L151 HydrophobicContact CZ2-CD2 4.21Å; F33-L151 HydrophobicContact CE2-CD2 4.14Å; F33-L151 HydrophobicContact CZ-CD1 4.43Å; F33-L151 HydrophobicContact CZ-CD2 3.76Å; L131-L151 HydrophobicContact CD2-CD2 4.1Å; V148-L151 VanDerWaalsContact O-CB 3.3Å; V148-L151 WeakPolarHBondContact O-CB 3.41Å; V148-L151 PolarHBondContact O-N 2.89Å; V148-L151 VanDerWaalsContact O-N 3.15Å; L151-T158 PolarHBondContact N-OG1 3.46Å
152R91.1Very high92.4Very high188 Ų18860.2 Ų60.271%0.70933%0.325SS*.BIsolated β-bridgetrans-104.7101.6168-60.1179.2175.7-177.5-2.3109K150 N154 G155 L156 T157K150-R152 PolarHBondContact O-N 3.46Å; R152-N154 VanDerWaalsContact C-N 3.34Å; R152-N154 PolarHBondContact O-N 3.38Å; R152-G155 PolarHBondContact O-N 2.97Å; R152-L156 PolarHBondContact O-N 2.99Å; R152-T157 PolarHBondContact N-O 2.96Å
153I87.4Confident92.4Very high51 Ų5160.7 Ų60.726%0.26232%0.322SS..G310 helixtrans-54.1-45.1-171.5-167.460.6000113W29 T32 F33 G155 L156W29-I153 HydrophobicContact CG-CD1 4.12Å; T32-I153 HydrophobicContact CG2-CD1 4.08Å; T32-I153 HydrophobicContact CG2-CG1 4.14Å; F33-I153 HydrophobicContact CD2-CD1 4.02Å; F33-I153 HydrophobicContact CE2-CD1 3.57Å; F33-I153 HydrophobicContact CZ-CD1 4.5Å; I153-G155 PolarHBondContact O-N 2.77Å; I153-L156 HydrophobicContact CD1-CD2 4.02Å; I153-L156 PolarHBondContact O-N 3.44Å; I153-L156 VanDerWaalsContact O-N 3.14Å
154N86.2Confident92.4Very high157 Ų15765.6 Ų65.684%0.8434%0.343SS*.G310 helixtrans-58.6-20.8-177-63.32.2000115.5R152R152-N154 VanDerWaalsContact C-N 3.34Å; R152-N154 PolarHBondContact O-N 3.38Å
155G88.9Confident92.3Very high50 Ų5070.1 Ų70.152%0.51535%0.353SS..G310 helixtrans-128.35.9177.600000113.7R152 I153 T157R152-G155 PolarHBondContact O-N 2.97Å; I153-G155 PolarHBondContact O-N 2.77Å; G155-T157 WeakPolarHBondContact O-CG2 3.29Å; G155-T157 PolarHBondContact O-N 2.84Å
156L92.8Very high92.1Very high47 Ų4772.3 Ų72.325%0.24637%0.365CS..THydrogen-bonded Turntrans48.125.1-173.2-61.5175.3000114.8T32 F33 A36 I38 R152 I153T32-L156 HydrophobicContact CG2-CD2 3.99Å; T32-L156 HydrophobicContact CG2-CG 4.26Å; F33-L156 HydrophobicContact CD1-CD2 3.99Å; F33-L156 HydrophobicContact CD2-CD2 4.04Å; F33-L156 HydrophobicContact CE1-CD2 3.8Å; F33-L156 HydrophobicContact CE2-CD2 3.82Å; F33-L156 HydrophobicContact CG-CD2 4.12Å; F33-L156 HydrophobicContact CZ-CD2 3.71Å; A36-L156 HydrophobicContact CB-CD1 3.44Å; A36-L156 VanDerWaalsContact CB-CD1 3.44Å; I38-L156 HydrophobicContact CD1-CD1 4.15Å; R152-L156 PolarHBondContact O-N 2.99Å; I153-L156 HydrophobicContact CD1-CD2 4.02Å; I153-L156 PolarHBondContact O-N 3.44Å; I153-L156 VanDerWaalsContact O-N 3.14Å
157T94.8Very high92Very high77 Ų7770.4 Ų70.447%0.47236%0.355SS..BIsolated β-bridgetrans-85131.7179.663.10000110.6R152 G155R152-T157 PolarHBondContact N-O 2.96Å; G155-T157 WeakPolarHBondContact O-CG2 3.29Å; G155-T157 PolarHBondContact O-N 2.84Å
158T95.3Very high92Very high48 Ų4877.8 Ų77.829%0.29438%0.382SS..  trans-146.7178.5170.9-163.40000112.4L146 S147 L151L146-T158 HydrophobicContact CB-CG2 3.97Å; L146-T158 HydrophobicContact CD2-CG2 4.29Å; S147-T158 PolarHBondContact O-OG1 3.06Å; L151-T158 PolarHBondContact N-OG1 3.46Å
159V95.4Very high92Very high63 Ų6383.9 Ų83.938%0.38242%0.415SS..  trans-87.6127172.61760000109.7S147 K150 Y161S147-V159 PolarHBondContact N-O 3.03Å; K150-V159 HydrophobicContact CB-CB 4.24Å; K150-V159 HydrophobicContact CB-CG2 3.88Å; K150-V159 HydrophobicContact CG-CB 4.38Å; K150-V159 HydrophobicContact CG-CG2 3.98Å; V159-Y161 HydrophobicContact CG1-CD1 4.45Å; V159-Y161 HydrophobicContact CG1-CE1 4.1Å; V159-Y161 HydrophobicContact CG1-CE2 4.4Å
160M95.5Very high92Very high96 Ų9682.8 Ų82.847%0.47340%0.403SS..EExtended strand (participates in β ladder)trans-96132.3167.6-176.1-175.781.200109.9P144 Y145 L146 D162P144-M160 HydrophobicContact CB-CG 4.08Å; P144-M160 HydrophobicContact CB-SD 3.84Å; Y145-M160 CarbonylContact O-C 3.57Å; Y145-M160 WeakPolarHBondContact O-CA 3.41Å; L146-M160 HydrophobicContact CD2-CB 3.68Å; L146-M160 HydrophobicContact CD2-CG 3.8Å; M160-D162 HydrophobicContact CE-CB 4.21Å
161Y93.5Very high91.9Very high83 Ų8379 Ų7933%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-97.9115.6172.5-62-76.5000109.8Y145 V159Y145-Y161 AromaticContact CD1-CD2 3.47Å; Y145-Y161 HydrophobicContact CD1-CD2 3.47Å; Y145-Y161 VanDerWaalsContact CD1-CD2 3.47Å; Y145-Y161 HydrophobicContact CD1-CE2 4.38Å; Y145-Y161 AromaticContact CD1-CG 3.97Å; Y145-Y161 HydrophobicContact CD1-CG 3.97Å; Y145-Y161 AromaticContact CE1-CD2 3.36Å; Y145-Y161 HydrophobicContact CE1-CD2 3.36Å; Y145-Y161 AromaticContact CE1-CE2 3.82Å; Y145-Y161 HydrophobicContact CE1-CE2 3.82Å; Y145-Y161 HydrophobicContact CE1-CG 4.11Å; Y145-Y161 HydrophobicContact CG-CD2 4.12Å; Y145-Y161 AromaticContact CZ-CD2 3.9Å; Y145-Y161 PolarHBondContact O-N 3.43Å; V159-Y161 HydrophobicContact CG1-CD1 4.45Å; V159-Y161 HydrophobicContact CG1-CE1 4.1Å; V159-Y161 HydrophobicContact CG1-CE2 4.4Å
162D91.1Very high91.9Very high41 Ų4178.1 Ų78.122%0.21940%0.395CS..  trans-98.1110-173.4179.4-35.8000110.4M160 Q164 R165 L166M160-D162 HydrophobicContact CE-CB 4.21Å; D162-Q164 VanDerWaalsContact C-N 3.29Å; D162-Q164 PolarHBondContact O-N 3.27Å; D162-Q164 WeakPolarHBondContact OD1-CA 3.36Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.4Å; D162-Q164 PolarHBondContact OD1-N 3.05Å; D162-R165 HydrophobicContact CB-CB 3.95Å; D162-R165 HydrophobicContact CB-CG 3.95Å; D162-R165 VanDerWaalsContact CG-CG 3.43Å; D162-R165 PolarHBondContact O-N 2.95Å; D162-R165 PolarHBondContact OD1-N 3.42Å; D162-R165 VanDerWaalsContact OD2-CD 3.29Å; D162-R165 WeakPolarHBondContact OD2-CD 3.47Å; D162-R165 WeakPolarHBondContact OD2-CG 3.36Å; D162-R165 IonicContact OD2-CZ 2.7Å; D162-R165 IonicContact OD2-NE 2.67Å; D162-R165 PolarHBondContact OD2-NE 3.36Å; D162-L166 PolarHBondContact O-N 3.25Å
163R92.1Very high91.8Very high40 Ų4071.8 Ų71.815%0.15138%0.38CS..Hα-helixtrans-53.7-40.9178.6-175.9174.8177.7-126.35.6112.6I138 I139 D141 C167 V174 L177I138-R163 HydrophobicContact CG1-CB 4.38Å; I138-R163 VanDerWaalsContact O-CD 3.32Å; I138-R163 WeakPolarHBondContact O-CD 3.41Å; I138-R163 VanDerWaalsContact O-CG 3.31Å; I138-R163 WeakPolarHBondContact O-CG 3.41Å; I139-R163 PolarHBondContact O-NE 3.48Å; D141-R163 IonicContact OD1-CZ 3.39Å; D141-R163 IonicContact OD1-NH1 2.69Å; D141-R163 PolarHBondContact OD1-NH1 2.84Å; D141-R163 IonicContact OD2-CZ 3.77Å; D141-R163 IonicContact OD2-NH1 3.37Å; D141-R163 PolarHBondContact OD2-NH1 2.86Å; D141-R163 IonicContact OD2-NH2 3.26Å; D141-R163 PolarHBondContact OD2-NH2 3.26Å; R163-C167 WeakPolarHBondContact O-CB 3.41Å; R163-C167 PolarHBondContact O-N 2.96Å; R163-C167 PolarHBondContact O-SG 2.91Å; R163-V174 HydrophobicContact CG-CG1 4.35Å; R163-V174 PolarHBondContact NH2-O 3.44Å; R163-V174 VanDerWaalsContact NH2-O 3.14Å; R163-L177 HydrophobicContact CG-CD1 3.48Å; R163-L177 VanDerWaalsContact CG-CD1 3.48Å
164Q91.7Very high91.9Very high114 Ų11471.4 Ų71.453%0.53338%0.38SS..Hα-helixtrans-73.2-38.7-179.6-59.5-173.22.800112.4D162 C167 R168D162-Q164 VanDerWaalsContact C-N 3.29Å; D162-Q164 PolarHBondContact O-N 3.27Å; D162-Q164 WeakPolarHBondContact OD1-CA 3.36Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.4Å; D162-Q164 PolarHBondContact OD1-N 3.05Å; Q164-C167 PolarHBondContact O-N 3.18Å; Q164-R168 WeakPolarHBondContact O-CB 3.23Å; Q164-R168 WeakPolarHBondContact O-CG 3.04Å; Q164-R168 PolarHBondContact O-N 3.28Å
165R91.5Very high91.9Very high154 Ų15469.2 Ų69.258%0.58137%0.372SS*.Hα-helixtrans-65.2-40.2174.2-70177.3-158.7-142.5-3.9111.1D162 R168 N169D162-R165 HydrophobicContact CB-CB 3.95Å; D162-R165 HydrophobicContact CB-CG 3.95Å; D162-R165 VanDerWaalsContact CG-CG 3.43Å; D162-R165 PolarHBondContact O-N 2.95Å; D162-R165 PolarHBondContact OD1-N 3.42Å; D162-R165 VanDerWaalsContact OD2-CD 3.29Å; D162-R165 WeakPolarHBondContact OD2-CD 3.47Å; D162-R165 WeakPolarHBondContact OD2-CG 3.36Å; D162-R165 IonicContact OD2-CZ 2.7Å; D162-R165 IonicContact OD2-NE 2.67Å; D162-R165 PolarHBondContact OD2-NE 3.36Å; R165-R168 VanDerWaalsContact CG-NH2 3.35Å; R165-R168 PolarHBondContact O-N 3.14Å; R165-N169 WeakPolarHBondContact O-CB 3.38Å; R165-N169 PolarHBondContact O-N 2.91Å; R165-N169 PolarHBondContact O-ND2 2.88Å; R165-N169 PolarHBondContact O-OD1 2.81Å
166L92.4Very high92Very high54 Ų5468 Ų6828%0.28335%0.353SS..Hα-helixtrans-56.8-56.9172.5175.162.4000110.2I138 D162 R168 N169 I170 L177I138-L166 HydrophobicContact CD1-CB 4.46Å; I138-L166 HydrophobicContact CD1-CD2 3.82Å; I138-L166 HydrophobicContact CG1-CD2 4.44Å; I138-L166 HydrophobicContact CG2-CD2 4.28Å; D162-L166 PolarHBondContact O-N 3.25Å; L166-R168 PolarHBondContact O-N 3.11Å; L166-N169 PolarHBondContact O-N 2.84Å; L166-I170 HydrophobicContact CD1-CD1 4.19Å; L166-I170 HydrophobicContact CD1-CG2 3.91Å; L166-I170 HydrophobicContact CG-CD1 4.04Å; L166-I170 WeakPolarHBondContact O-CG1 3.39Å; L166-I170 PolarHBondContact O-N 2.75Å; L166-L177 HydrophobicContact CD2-CD2 4.49Å
167C93.1Very high91.9Very high5 Ų565.8 Ų65.83%0.03434%0.341CS..Hα-helixtrans-51.9-48178-82.50000113.6R163 Q164 N169 I170 G171 L172 V174R163-C167 WeakPolarHBondContact O-CB 3.41Å; R163-C167 PolarHBondContact O-N 2.96Å; R163-C167 PolarHBondContact O-SG 2.91Å; Q164-C167 PolarHBondContact O-N 3.18Å; C167-N169 VanDerWaalsContact C-N 3.32Å; C167-N169 PolarHBondContact O-N 3.31Å; C167-I170 PolarHBondContact O-N 3.5Å; C167-G171 PolarHBondContact O-N 2.96Å; C167-L172 CarbonylContact C-O 3.4Å; C167-L172 VanDerWaalsContact CB-O 3.22Å; C167-L172 WeakPolarHBondContact CB-O 3.4Å; C167-L172 PolarHBondContact O-N 2.95Å; C167-V174 HydrophobicContact CB-CG1 4.21Å; C167-V174 VanDerWaalsContact SG-CA 3.58Å
168R93.3Very high91.8Very high155 Ų15562.6 Ų62.659%0.58532%0.322SS*.Hα-helixtrans-60.5-37.9176.2-75.9-172.6-68.1-98.4-0.4113Q164 R165 L166Q164-R168 WeakPolarHBondContact O-CB 3.23Å; Q164-R168 WeakPolarHBondContact O-CG 3.04Å; Q164-R168 PolarHBondContact O-N 3.28Å; R165-R168 VanDerWaalsContact CG-NH2 3.35Å; R165-R168 PolarHBondContact O-N 3.14Å; L166-R168 PolarHBondContact O-N 3.11Å
169N90.9Very high91.6Very high133 Ų13360.9 Ų60.971%0.71131%0.311SS*.Hα-helixtrans-75.8-29.7-179.2-69.8-6.5000113.2R165 L166 C167R165-N169 WeakPolarHBondContact O-CB 3.38Å; R165-N169 PolarHBondContact O-N 2.91Å; R165-N169 PolarHBondContact O-ND2 2.88Å; R165-N169 PolarHBondContact O-OD1 2.81Å; L166-N169 PolarHBondContact O-N 2.84Å; C167-N169 VanDerWaalsContact C-N 3.32Å; C167-N169 PolarHBondContact O-N 3.31Å
170I91.6Very high91.6Very high22 Ų2258.2 Ų58.211%0.11329%0.294CS..Hα-helixtrans-99.50.8-178.971.8-175.7000113.8L166 C167 L172 L177 L180 L223 A226L166-I170 HydrophobicContact CD1-CD1 4.19Å; L166-I170 HydrophobicContact CD1-CG2 3.91Å; L166-I170 HydrophobicContact CG-CD1 4.04Å; L166-I170 WeakPolarHBondContact O-CG1 3.39Å; L166-I170 PolarHBondContact O-N 2.75Å; C167-I170 PolarHBondContact O-N 3.5Å; I170-L172 HydrophobicContact CD1-CB 4.43Å; I170-L172 HydrophobicContact CD1-CD1 3.84Å; I170-L172 HydrophobicContact CD1-CG 4.34Å; I170-L172 HydrophobicContact CG1-CB 4.09Å; I170-L172 HydrophobicContact CG1-CD1 4.14Å; I170-L172 HydrophobicContact CG1-CG 4.08Å; I170-L177 HydrophobicContact CD1-CD2 4.22Å; I170-L180 HydrophobicContact CD1-CD2 3.75Å; I170-L223 HydrophobicContact CG2-CD2 4.06Å; I170-A226 HydrophobicContact CB-CB 3.96Å; I170-A226 HydrophobicContact CD1-CB 4.26Å; I170-A226 HydrophobicContact CG1-CB 4.22Å
171G90.1Very high91.5Very high48 Ų4854.1 Ų54.150%0.49528%0.276SS..THydrogen-bonded Turntrans73.431.2177.200000114.7C167 S230C167-G171 PolarHBondContact O-N 2.96Å; G171-S230 PolarHBondContact O-OG 3.16Å
172L90.9Very high91.4Very high15 Ų1550.1 Ų50.18%0.07926%0.26CS..  trans-120.2155.3-179.4-70.1-178.2000113.1C167 I170 Q176 L180 A226 V229C167-L172 CarbonylContact C-O 3.4Å; C167-L172 VanDerWaalsContact CB-O 3.22Å; C167-L172 WeakPolarHBondContact CB-O 3.4Å; C167-L172 PolarHBondContact O-N 2.95Å; I170-L172 HydrophobicContact CD1-CB 4.43Å; I170-L172 HydrophobicContact CD1-CD1 3.84Å; I170-L172 HydrophobicContact CD1-CG 4.34Å; I170-L172 HydrophobicContact CG1-CB 4.09Å; I170-L172 HydrophobicContact CG1-CD1 4.14Å; I170-L172 HydrophobicContact CG1-CG 4.08Å; L172-Q176 HydrophobicContact CD2-CB 4.3Å; L172-L180 HydrophobicContact CD1-CB 4.32Å; L172-L180 HydrophobicContact CD1-CD2 3.87Å; L172-L180 HydrophobicContact CD1-CG 4.49Å; L172-A226 HydrophobicContact CD1-CB 3.83Å; L172-A226 WeakPolarHBondContact CD2-O 3.35Å; L172-A226 HydrophobicContact CG-CB 4.16Å; L172-V229 HydrophobicContact CD1-CG1 4.47Å; L172-V229 HydrophobicContact CD2-CB 4.06Å; L172-V229 HydrophobicContact CD2-CG1 3.82Å
173S89.9Confident91.4Very high55 Ų5548.2 Ų48.239%0.38525%0.25SC..  trans-71.5150.8159.6178.40000111T175 Q176S173-T175 PolarHBondContact O-N 3.04Å; S173-T175 PolarHBondContact OG-N 3.08Å; S173-T175 PolarHBondContact OG-OG1 3.49Å; S173-Q176 PolarHBondContact O-N 3.22Å; S173-Q176 VanDerWaalsContact O-N 3.08Å
174V88.6Confident91.4Very high43 Ų4348.3 Ų48.326%0.26125%0.253SS..G310 helixtrans-59.8-29.5172.2-64.30000112.7R163 C167 Q176 L177R163-V174 HydrophobicContact CG-CG1 4.35Å; R163-V174 PolarHBondContact NH2-O 3.44Å; R163-V174 VanDerWaalsContact NH2-O 3.14Å; C167-V174 HydrophobicContact CB-CG1 4.21Å; C167-V174 VanDerWaalsContact SG-CA 3.58Å; V174-Q176 PolarHBondContact O-N 3.46Å; V174-L177 PolarHBondContact O-N 2.95Å
175T87.4Confident91.3Very high110 Ų11044.3 Ų44.368%0.67524%0.243SC*.G310 helixtrans-69.1-18176.855.10000113.5S173S173-T175 PolarHBondContact O-N 3.04Å; S173-T175 PolarHBondContact OG-N 3.08Å; S173-T175 PolarHBondContact OG-OG1 3.49Å
176Q89.6Confident91.1Very high25 Ų2538 Ų3812%0.11722%0.221CC..G310 helixtrans-91-8.8179.9-67.9167.9-55.300113.2L172 S173 V174 L179 L180 V229 S233L172-Q176 HydrophobicContact CD2-CB 4.3Å; S173-Q176 PolarHBondContact O-N 3.22Å; S173-Q176 VanDerWaalsContact O-N 3.08Å; V174-Q176 PolarHBondContact O-N 3.46Å; Q176-L179 PolarHBondContact O-N 3.18Å; Q176-L180 PolarHBondContact O-N 2.92Å; Q176-V229 HydrophobicContact CB-CG1 3.92Å; Q176-V229 HydrophobicContact CG-CG1 4.24Å; Q176-S233 VanDerWaalsContact NE2-CB 3.29Å; Q176-S233 PolarHBondContact NE2-OG 3.44Å
177L92.4Very high90.6Very high0 Ų039.4 Ų39.40%023%0.228CC..Hα-helixtrans-61.7-39.4-178.4-71-179.1000114.6I139 R163 L166 I170 V174 L179 L180 A181I139-L177 HydrophobicContact CD1-CB 4.18Å; I139-L177 HydrophobicContact CG2-CB 4.28Å; R163-L177 HydrophobicContact CG-CD1 3.48Å; R163-L177 VanDerWaalsContact CG-CD1 3.48Å; L166-L177 HydrophobicContact CD2-CD2 4.49Å; I170-L177 HydrophobicContact CD1-CD2 4.22Å; V174-L177 PolarHBondContact O-N 2.95Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 3.26Å; L177-L180 HydrophobicContact CD2-CD2 3.94Å; L177-L180 WeakPolarHBondContact O-CB 3.49Å; L177-L180 PolarHBondContact O-N 3.37Å; L177-A181 PolarHBondContact O-N 3.38Å
178P92.4Very high90.2Very high11 Ų1140.9 Ų40.97%0.07124%0.237CC..Hα-helixtrans-59.4-40.9174.1-27.937.9000112.9I139 A181 C182 I260 Y263I139-P178 HydrophobicContact CG2-CB 4.42Å; I139-P178 HydrophobicContact CG2-CG 4.12Å; P178-A181 PolarHBondContact O-N 3.3Å; P178-C182 PolarHBondContact O-N 3.01Å; P178-C182 PolarHBondContact O-SG 2.9Å; P178-I260 HydrophobicContact CB-CB 4.27Å; P178-I260 HydrophobicContact CB-CG1 4.13Å; P178-I260 HydrophobicContact CB-CG2 3.98Å; P178-Y263 HydrophobicContact CB-CD2 3.99Å
179L91.4Very high89.8Confident11 Ų1133.5 Ų33.56%0.05821%0.209CC..Hα-helixtrans-67.3-40.2175.7176.960.9000111.5Q176 L177 C182 L183 V229 P243 I260Q176-L179 PolarHBondContact O-N 3.18Å; L177-L179 VanDerWaalsContact C-N 3.32Å; L177-L179 PolarHBondContact O-N 3.26Å; L179-C182 PolarHBondContact O-N 2.81Å; L179-L183 HydrophobicContact CD1-CD1 4.16Å; L179-L183 HydrophobicContact CD1-CG 4.11Å; L179-L183 HydrophobicContact CG-CD1 4.25Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 3.08Å; L179-V229 HydrophobicContact CD2-CG1 4.13Å; L179-V229 HydrophobicContact CD2-CG2 4.49Å; L179-V229 HydrophobicContact CG-CG2 4.34Å; L179-P243 HydrophobicContact CD2-CG 4.08Å; L179-I260 HydrophobicContact CB-CD1 4.02Å; L179-I260 HydrophobicContact CD1-CD1 4.09Å
180L93.4Very high89.6Confident7 Ų729.7 Ų29.74%0.03719%0.193CC..Hα-helixtrans-58.6-47173176.265.3000111.3I170 L172 Q176 L177 L183 L184 V225 A226I170-L180 HydrophobicContact CD1-CD2 3.75Å; L172-L180 HydrophobicContact CD1-CB 4.32Å; L172-L180 HydrophobicContact CD1-CD2 3.87Å; L172-L180 HydrophobicContact CD1-CG 4.49Å; Q176-L180 PolarHBondContact O-N 2.92Å; L177-L180 HydrophobicContact CD2-CD2 3.94Å; L177-L180 WeakPolarHBondContact O-CB 3.49Å; L177-L180 PolarHBondContact O-N 3.37Å; L180-L183 PolarHBondContact O-N 3.03Å; L180-L184 HydrophobicContact CD1-CD1 3.9Å; L180-L184 HydrophobicContact CD1-CG 4.1Å; L180-L184 HydrophobicContact CG-CD1 3.84Å; L180-L184 HydrophobicContact CG-CG 4.42Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 3.47Å; L180-V225 HydrophobicContact CD1-CB 4.02Å; L180-V225 HydrophobicContact CD1-CG1 3.68Å; L180-A226 HydrophobicContact CD1-CB 4.33Å
181A93.4Very high89.3Confident10 Ų1034.8 Ų34.88%0.08322%0.216CC..Hα-helixtrans-59-48.317800000111.5I139 L177 P178 L183 L184 G185 Y263I139-A181 HydrophobicContact CD1-CB 4.13Å; I139-A181 HydrophobicContact CG1-CB 4.12Å; I139-A181 HydrophobicContact CG2-CB 4.24Å; L177-A181 PolarHBondContact O-N 3.38Å; P178-A181 PolarHBondContact O-N 3.3Å; A181-L183 PolarHBondContact O-N 3.45Å; A181-L184 PolarHBondContact O-N 3.27Å; A181-G185 CarbonylContact O-C 3.43Å; A181-G185 PolarHBondContact O-N 2.94Å; A181-Y263 HydrophobicContact CB-CE2 3.83Å
182C91.6Very high89.1Confident0 Ų040 Ų400%023%0.228CC..Hα-helixtrans-58.7-40.8175.9-70.80000113.8P178 L179 G185 V189 M194 L256 G259P178-C182 PolarHBondContact O-N 3.01Å; P178-C182 PolarHBondContact O-SG 2.9Å; L179-C182 PolarHBondContact O-N 2.81Å; C182-G185 PolarHBondContact O-N 3.08Å; C182-V189 HydrophobicContact CB-CB 4.45Å; C182-V189 HydrophobicContact CB-CG2 4.05Å; C182-V189 WeakPolarHBondContact O-CG1 3.48Å; C182-M194 WeakPolarHBondContact O-CG 3.25Å; C182-L256 HydrophobicContact CB-CD2 3.67Å; C182-G259 VanDerWaalsContact SG-CA 3.59Å; C182-G259 PolarHBondContact SG-O 2.68Å; C182-G259 VanDerWaalsContact SG-O 3.4Å
183L91.5Very high88.8Confident0 Ų042.4 Ų42.40%024%0.241CC..Hα-helixtrans-76.6-29.2-179.9-67.8-179.9000113.1L179 L180 A181 M194 I197 R198 V225 F228 V229 L246 L256L179-L183 HydrophobicContact CD1-CD1 4.16Å; L179-L183 HydrophobicContact CD1-CG 4.11Å; L179-L183 HydrophobicContact CG-CD1 4.25Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 3.08Å; L180-L183 PolarHBondContact O-N 3.03Å; A181-L183 PolarHBondContact O-N 3.45Å; L183-M194 HydrophobicContact CD2-SD 3.73Å; L183-M194 WeakPolarHBondContact O-CB 3.49Å; L183-I197 HydrophobicContact CD2-CD1 3.99Å; L183-I197 HydrophobicContact CD2-CG2 4.33Å; L183-R198 WeakPolarHBondContact O-CD 3.39Å; L183-R198 VanDerWaalsContact O-CG 3.32Å; L183-R198 WeakPolarHBondContact O-CG 3.41Å; L183-V225 HydrophobicContact CB-CG1 3.67Å; L183-V225 HydrophobicContact CD1-CG1 4.2Å; L183-F228 HydrophobicContact CD1-CD1 4.25Å; L183-F228 HydrophobicContact CD1-CE1 4.28Å; L183-V229 HydrophobicContact CD1-CG2 3.6Å; L183-L246 HydrophobicContact CD2-CD2 4.5Å; L183-L256 HydrophobicContact CD2-CD2 4.21Å
184L92.1Very high88.8Confident43 Ų4339.8 Ų39.823%0.22522%0.222CC..Hα-helixtrans-67.7-43.8169.4-70.7170.9000110.5L180 A181 R198 V221 V222 V225L180-L184 HydrophobicContact CD1-CD1 3.9Å; L180-L184 HydrophobicContact CD1-CG 4.1Å; L180-L184 HydrophobicContact CG-CD1 3.84Å; L180-L184 HydrophobicContact CG-CG 4.42Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 3.47Å; A181-L184 PolarHBondContact O-N 3.27Å; L184-R198 PolarHBondContact O-NH1 3.19Å; L184-V221 HydrophobicContact CD2-CG1 4.03Å; L184-V222 HydrophobicContact CD1-CG2 3.97Å; L184-V222 HydrophobicContact CD2-CG2 4.06Å; L184-V225 HydrophobicContact CD2-CB 4.13Å; L184-V225 HydrophobicContact CD2-CG2 4.03Å
185G89Confident88.8Confident30 Ų3043.2 Ų43.231%0.30924%0.235SC..  trans122.5129.8-177.600000109.5A181 C182 V189A181-G185 CarbonylContact O-C 3.43Å; A181-G185 PolarHBondContact O-N 2.94Å; C182-G185 PolarHBondContact O-N 3.08Å; G185-V189 CarbonylContact C-O 3.52Å; G185-V189 VanDerWaalsContact CA-O 3.31Å; G185-V189 WeakPolarHBondContact CA-O 3.29Å
186N88.3Confident88.9Confident21 Ų2145 Ų4511%0.11224%0.235CC..  trans-140.6-174.3177.374.6-9.9000110.6V188 V189 Y263N186-V188 PolarHBondContact O-N 3.34Å; N186-V188 VanDerWaalsContact O-N 3.12Å; N186-V188 PolarHBondContact OD1-N 2.75Å; N186-V189 PolarHBondContact N-O 2.96Å; N186-V189 CarbonylContact O-C 3.55Å; N186-V189 PolarHBondContact O-N 2.97Å; N186-V189 PolarHBondContact OD1-N 3.47Å; N186-Y263 WeakPolarHBondContact CB-OH 3.46Å; N186-Y263 WeakPolarHBondContact ND2-CE2 3.22Å; N186-Y263 PolarHBondContact ND2-OH 3.24Å
187D81.9Confident88.9Confident84 Ų8444.7 Ų44.745%0.44923%0.234SC..SBendtrans-65.3-14.8-176.3-79.3-12.1000114.5K52K52-D187 WeakPolarHBondContact CD-OD2 3.23Å; K52-D187 WeakPolarHBondContact CE-OD2 3.44Å; K52-D187 IonicContact NZ-OD2 2.71Å; K52-D187 PolarHBondContact NZ-OD2 3.49Å
188V83.6Confident88.8Confident35 Ų3545.6 Ų45.621%0.21224%0.238CC..SBendtrans-101.1-36.8176.6-176.70000112.1N186 L255 K258N186-V188 PolarHBondContact O-N 3.34Å; N186-V188 VanDerWaalsContact O-N 3.12Å; N186-V188 PolarHBondContact OD1-N 2.75Å; V188-L255 HydrophobicContact CG1-CD1 4.25Å; V188-K258 HydrophobicContact CG1-CB 4.09Å
189V86.6Confident88.8Confident0 Ų048.3 Ų48.30%026%0.257CS..SBendtrans-116.5104-176.7-172.80000108.6C182 G185 N186 M194 L255 L256C182-V189 HydrophobicContact CB-CB 4.45Å; C182-V189 HydrophobicContact CB-CG2 4.05Å; C182-V189 WeakPolarHBondContact O-CG1 3.48Å; G185-V189 CarbonylContact C-O 3.52Å; G185-V189 VanDerWaalsContact CA-O 3.31Å; G185-V189 WeakPolarHBondContact CA-O 3.29Å; N186-V189 PolarHBondContact N-O 2.96Å; N186-V189 CarbonylContact O-C 3.55Å; N186-V189 PolarHBondContact O-N 2.97Å; N186-V189 PolarHBondContact OD1-N 3.47Å; V189-M194 HydrophobicContact CG1-CE 4.09Å; V189-M194 HydrophobicContact CG1-CG 3.64Å; V189-M194 HydrophobicContact CG1-SD 4.1Å; V189-L255 HydrophobicContact CG2-CG 4.22Å; V189-L256 HydrophobicContact CG1-CD2 4.09Å; V189-L256 HydrophobicContact CG2-CD2 4.28Å
190S85.3Confident88.7Confident53 Ų5350.5 Ų50.537%0.37127%0.273SS..  trans-62.9146.6-173.174.30000113.2E192 L193S190-E192 PolarHBondContact O-N 3.32Å; S190-L193 PolarHBondContact O-N 2.85Å; S190-L193 PolarHBondContact OG-N 2.87Å
191E85.8Confident88.6Confident129 Ų12950.3 Ų50.360%0.60327%0.273SS*.THydrogen-bonded Turntrans-54.6-40.6176.5-178176-179.800111.4L193 M194 Q195 R198E191-L193 PolarHBondContact O-N 3.14Å; E191-M194 PolarHBondContact O-N 3.13Å; E191-Q195 PolarHBondContact O-N 3.16Å; E191-R198 VanDerWaalsContact CG-CZ 3.45Å; E191-R198 PolarHBondContact O-NH1 3.14Å; E191-R198 PolarHBondContact O-NH2 3.3Å; E191-R198 IonicContact OE1-CZ 3.3Å; E191-R198 IonicContact OE1-NH2 2.8Å; E191-R198 PolarHBondContact OE1-NH2 3.34Å
192E86.3Confident88.5Confident158 Ų15850.6 Ų50.674%0.73827%0.273SS*.THydrogen-bonded Turntrans-62-43.9-179.1-66.4158.4-173.800112.2S190 M194 Q195S190-E192 PolarHBondContact O-N 3.32Å; E192-M194 VanDerWaalsContact C-N 3.26Å; E192-M194 PolarHBondContact O-N 3.25Å; E192-Q195 VanDerWaalsContact O-CB 3.23Å; E192-Q195 WeakPolarHBondContact O-CB 3.44Å; E192-Q195 PolarHBondContact O-N 3.46Å; E192-Q195 VanDerWaalsContact O-N 3.14Å
193L84.9Confident88.5Confident66 Ų6653 Ų5335%0.34629%0.294SS..THydrogen-bonded Turntrans-63.6-32.7-176.8-170.267.7000112.6S190 E191 Q252 L255S190-L193 PolarHBondContact O-N 2.85Å; S190-L193 PolarHBondContact OG-N 2.87Å; E191-L193 PolarHBondContact O-N 3.14Å; L193-Q252 HydrophobicContact CD1-CG 4.44Å; L193-Q252 HydrophobicContact CD2-CG 4.4Å; L193-L255 HydrophobicContact CD2-CD2 3.48Å; L193-L255 VanDerWaalsContact CD2-CD2 3.48Å
194M88.8Confident88.4Confident0 Ų054.8 Ų54.80%031%0.308CS..THydrogen-bonded Turntrans-931-179.9-61.5-65.5105.100113.6C182 L183 V189 E191 E192 H196 I197 R198 L256C182-M194 WeakPolarHBondContact O-CG 3.25Å; L183-M194 HydrophobicContact CD2-SD 3.73Å; L183-M194 WeakPolarHBondContact O-CB 3.49Å; V189-M194 HydrophobicContact CG1-CE 4.09Å; V189-M194 HydrophobicContact CG1-CG 3.64Å; V189-M194 HydrophobicContact CG1-SD 4.1Å; E191-M194 PolarHBondContact O-N 3.13Å; E192-M194 VanDerWaalsContact C-N 3.26Å; E192-M194 PolarHBondContact O-N 3.25Å; M194-H196 VanDerWaalsContact C-N 3.3Å; M194-H196 PolarHBondContact O-N 3.48Å; M194-I197 PolarHBondContact O-N 3.11Å; M194-I197 HydrophobicContact SD-CD1 3.9Å; M194-R198 PolarHBondContact O-N 3.34Å; M194-L256 HydrophobicContact SD-CD2 3.99Å
195Q90.1Very high88.3Confident115 Ų11554.5 Ų54.554%0.53730%0.304SS..Hα-helixtrans-56.7-39.8-174.5-172.9-178.210.200113.2E191 E192 I197 R198 S199E191-Q195 PolarHBondContact O-N 3.16Å; E192-Q195 VanDerWaalsContact O-CB 3.23Å; E192-Q195 WeakPolarHBondContact O-CB 3.44Å; E192-Q195 PolarHBondContact O-N 3.46Å; E192-Q195 VanDerWaalsContact O-N 3.14Å; Q195-I197 PolarHBondContact O-N 3.42Å; Q195-R198 PolarHBondContact O-N 3.05Å; Q195-S199 VanDerWaalsContact O-CB 3.3Å; Q195-S199 WeakPolarHBondContact O-CB 3.33Å; Q195-S199 PolarHBondContact O-N 3.26Å; Q195-S199 PolarHBondContact O-OG 3.43Å
196H89.4Confident88.4Confident146 Ų14659.9 Ų59.968%0.67632%0.315SS*.Hα-helixtrans-57.5-48.8174.8173.3-91.4000111.5M194 S199 S200M194-H196 VanDerWaalsContact C-N 3.3Å; M194-H196 PolarHBondContact O-N 3.48Å; H196-S199 PolarHBondContact O-N 2.99Å; H196-S200 WeakPolarHBondContact O-CB 3.31Å; H196-S200 PolarHBondContact O-N 2.91Å; H196-S200 PolarHBondContact O-OG 3.49Å
197I87.9Confident88.4Confident19 Ų1968.2 Ų68.210%0.09735%0.345CS..Hα-helixtrans-64.7-45.8-179-58.3177.1000110.6L183 M194 Q195 S199 S200 A201 F228 V248L183-I197 HydrophobicContact CD2-CD1 3.99Å; L183-I197 HydrophobicContact CD2-CG2 4.33Å; M194-I197 PolarHBondContact O-N 3.11Å; M194-I197 HydrophobicContact SD-CD1 3.9Å; Q195-I197 PolarHBondContact O-N 3.42Å; I197-S199 VanDerWaalsContact C-N 3.34Å; I197-S199 PolarHBondContact O-N 2.7Å; I197-S200 PolarHBondContact O-N 2.97Å; I197-A201 VanDerWaalsContact O-CB 3.31Å; I197-A201 WeakPolarHBondContact O-CB 3.44Å; I197-A201 PolarHBondContact O-N 3.47Å; I197-F228 HydrophobicContact CG2-CD1 4.01Å; I197-F228 HydrophobicContact CG2-CE1 3.53Å; I197-F228 HydrophobicContact CG2-CZ 4.19Å; I197-V248 HydrophobicContact CD1-CG1 3.73Å
198R91.6Very high88.6Confident20 Ų2068 Ų688%0.07535%0.347CS..Hα-helixtrans-61-42.6176.9-65.5-159.8-57.3-71.6-12.7112.1L183 L184 E191 M194 Q195 A201 V202 V221 V225L183-R198 WeakPolarHBondContact O-CD 3.39Å; L183-R198 VanDerWaalsContact O-CG 3.32Å; L183-R198 WeakPolarHBondContact O-CG 3.41Å; L184-R198 PolarHBondContact O-NH1 3.19Å; E191-R198 VanDerWaalsContact CG-CZ 3.45Å; E191-R198 PolarHBondContact O-NH1 3.14Å; E191-R198 PolarHBondContact O-NH2 3.3Å; E191-R198 IonicContact OE1-CZ 3.3Å; E191-R198 IonicContact OE1-NH2 2.8Å; E191-R198 PolarHBondContact OE1-NH2 3.34Å; M194-R198 PolarHBondContact O-N 3.34Å; Q195-R198 PolarHBondContact O-N 3.05Å; R198-A201 PolarHBondContact O-N 3.48Å; R198-V202 WeakPolarHBondContact O-CB 3.37Å; R198-V202 VanDerWaalsContact O-CG2 3.23Å; R198-V202 WeakPolarHBondContact O-CG2 3.47Å; R198-V202 PolarHBondContact O-N 2.89Å; R198-V221 HydrophobicContact CB-CG1 4.47Å; R198-V221 HydrophobicContact CG-CG1 4.49Å; R198-V225 HydrophobicContact CB-CG2 4.4Å; R198-V225 HydrophobicContact CG-CG2 3.92Å
199S91.8Very high88.6Confident67 Ų6769.2 Ų69.247%0.46935%0.352SS..Hα-helixtrans-64.6-43.8178.6-570000111.5Q195 H196 I197 A203Q195-S199 VanDerWaalsContact O-CB 3.3Å; Q195-S199 WeakPolarHBondContact O-CB 3.33Å; Q195-S199 PolarHBondContact O-N 3.26Å; Q195-S199 PolarHBondContact O-OG 3.43Å; H196-S199 PolarHBondContact O-N 2.99Å; I197-S199 VanDerWaalsContact C-N 3.34Å; I197-S199 PolarHBondContact O-N 2.7Å; S199-A203 VanDerWaalsContact O-CB 3.31Å; S199-A203 WeakPolarHBondContact O-CB 3.36Å; S199-A203 PolarHBondContact O-N 3.48Å
200S90.3Very high88Confident57 Ų5775 Ų7540%0.39939%0.39SS..Hα-helixtrans-63.2-41.4173.8-59.10000112.5H196 I197 A203 A204H196-S200 WeakPolarHBondContact O-CB 3.31Å; H196-S200 PolarHBondContact O-N 2.91Å; H196-S200 PolarHBondContact O-OG 3.49Å; I197-S200 PolarHBondContact O-N 2.97Å; S200-A203 PolarHBondContact O-N 3.27Å; S200-A204 PolarHBondContact O-N 3.17Å
201A90.9Very high87.7Confident4 Ų476.3 Ų76.33%0.03340%0.404CS..Hα-helixtrans-64.2-46.3177.600000111.5I197 R198 A203 A204 Y205 A224 V225 F228I197-A201 VanDerWaalsContact O-CB 3.31Å; I197-A201 WeakPolarHBondContact O-CB 3.44Å; I197-A201 PolarHBondContact O-N 3.47Å; R198-A201 PolarHBondContact O-N 3.48Å; A201-A203 PolarHBondContact O-N 2.93Å; A201-A204 WeakPolarHBondContact O-CB 3.39Å; A201-A204 PolarHBondContact O-N 3.47Å; A201-A204 VanDerWaalsContact O-N 3.15Å; A201-Y205 WeakPolarHBondContact O-CB 3.25Å; A201-Y205 PolarHBondContact O-N 3.06Å; A201-A224 HydrophobicContact CB-CB 4.42Å; A201-V225 HydrophobicContact CB-CG2 4.28Å; A201-F228 HydrophobicContact CB-CB 3.97Å; A201-F228 HydrophobicContact CB-CG 4.36Å
202V91.5Very high87.2Confident15 Ų1575.5 Ų75.59%0.09141%0.41CS..Hα-helixtrans-62.7-41.7175.7172.90000111R198 A204 Y205 R206 V221 A224R198-V202 WeakPolarHBondContact O-CB 3.37Å; R198-V202 VanDerWaalsContact O-CG2 3.23Å; R198-V202 WeakPolarHBondContact O-CG2 3.47Å; R198-V202 PolarHBondContact O-N 2.89Å; V202-A204 VanDerWaalsContact C-N 3.29Å; V202-A204 PolarHBondContact O-N 3.25Å; V202-Y205 PolarHBondContact O-N 3.09Å; V202-R206 HydrophobicContact CG1-CG 4.46Å; V202-R206 WeakPolarHBondContact O-CG 3.18Å; V202-R206 PolarHBondContact O-N 3.18Å; V202-V221 HydrophobicContact CG2-CB 4.5Å; V202-V221 HydrophobicContact CG2-CG2 4.09Å; V202-A224 HydrophobicContact CB-CB 4.37Å; V202-A224 HydrophobicContact CG2-CB 3.82Å
203A90.9Very high86.9Confident52 Ų5272.3 Ų72.343%0.4339%0.391SS..Hα-helixtrans-67-26175.200000113.5S199 S200 A201 R207S199-A203 VanDerWaalsContact O-CB 3.31Å; S199-A203 WeakPolarHBondContact O-CB 3.36Å; S199-A203 PolarHBondContact O-N 3.48Å; S200-A203 PolarHBondContact O-N 3.27Å; A201-A203 PolarHBondContact O-N 2.93Å; A203-R207 WeakPolarHBondContact O-CG 3.44Å; A203-R207 PolarHBondContact O-NE 3.21Å
204A89.5Confident86.6Confident36 Ų3675.4 Ų75.430%0.29842%0.417SS..Hα-helixtrans-76-47.316900000111.7S200 A201 V202 R206 R207 T208S200-A204 PolarHBondContact O-N 3.17Å; A201-A204 WeakPolarHBondContact O-CB 3.39Å; A201-A204 PolarHBondContact O-N 3.47Å; A201-A204 VanDerWaalsContact O-N 3.15Å; V202-A204 VanDerWaalsContact C-N 3.29Å; V202-A204 PolarHBondContact O-N 3.25Å; A204-R206 VanDerWaalsContact C-N 3.35Å; A204-R206 PolarHBondContact O-N 3.34Å; A204-R207 WeakPolarHBondContact O-CB 3.07Å; A204-R207 PolarHBondContact O-N 3.38Å; A204-T208 PolarHBondContact O-N 3.43Å; A204-T208 VanDerWaalsContact O-N 3.13Å; A204-T208 PolarHBondContact O-OG1 3.41Å
205Y89.5Confident86.3Confident37 Ų3777 Ų7715%0.14543%0.434CS..Hα-helixtrans-57.2-43.8-179.8-175.3-92.9000112.7A201 V202 R207 T208 N209 E220 L223 A224 Q227A201-Y205 WeakPolarHBondContact O-CB 3.25Å; A201-Y205 PolarHBondContact O-N 3.06Å; V202-Y205 PolarHBondContact O-N 3.09Å; Y205-R207 VanDerWaalsContact C-N 3.28Å; Y205-R207 PolarHBondContact O-N 2.91Å; Y205-T208 PolarHBondContact O-N 3Å; Y205-T208 PolarHBondContact O-OG1 2.93Å; Y205-T208 VanDerWaalsContact O-OG1 3.07Å; Y205-N209 HydrophobicContact CD1-CB 4.48Å; Y205-N209 WeakPolarHBondContact CD2-ND2 3.37Å; Y205-N209 HydrophobicContact CE1-CB 4.13Å; Y205-N209 VanDerWaalsContact CE2-ND2 3.31Å; Y205-N209 WeakPolarHBondContact CE2-ND2 3.45Å; Y205-N209 WeakPolarHBondContact O-CB 3.27Å; Y205-N209 PolarHBondContact O-N 3.23Å; Y205-N209 PolarHBondContact O-ND2 2.99Å; Y205-E220 HydrophobicContact CD1-CG 4.18Å; Y205-E220 HydrophobicContact CE1-CG 4.21Å; Y205-L223 HydrophobicContact CE2-CB 3.88Å; Y205-A224 HydrophobicContact CD1-CB 4.46Å; Y205-A224 HydrophobicContact CD2-CB 4.13Å; Y205-A224 HydrophobicContact CG-CB 3.79Å; Y205-Q227 HydrophobicContact CD2-CB 4.46Å
206R90.6Very high86.1Confident144 Ų14475.6 Ų75.654%0.54343%0.434SS..Hα-helixtrans-67.9-22.7176.6-70.2176-179.5168.32.6113.9V202 A204 E220V202-R206 HydrophobicContact CG1-CG 4.46Å; V202-R206 WeakPolarHBondContact O-CG 3.18Å; V202-R206 PolarHBondContact O-N 3.18Å; A204-R206 VanDerWaalsContact C-N 3.35Å; A204-R206 PolarHBondContact O-N 3.34Å; R206-E220 VanDerWaalsContact CG-OE1 3.32Å; R206-E220 WeakPolarHBondContact CG-OE1 3.41Å; R206-E220 IonicContact CZ-OE1 3.37Å; R206-E220 IonicContact CZ-OE2 3.9Å; R206-E220 IonicContact NE-OE1 3.54Å; R206-E220 PolarHBondContact NE-OE1 3.35Å; R206-E220 IonicContact NE-OE2 3.95Å; R206-E220 IonicContact NH2-OE1 3.51Å; R206-E220 PolarHBondContact NH2-OE1 3.01Å; R206-E220 IonicContact NH2-OE2 3.4Å; R206-E220 PolarHBondContact NH2-OE2 3.41Å
207R88.8Confident85.8Confident196 Ų19672.9 Ų72.974%0.7443%0.43SS*.Hα-helixtrans-79.5-34.1173.1-73.1179.5-69.5137.9-6112.1A203 A204 Y205A203-R207 WeakPolarHBondContact O-CG 3.44Å; A203-R207 PolarHBondContact O-NE 3.21Å; A204-R207 WeakPolarHBondContact O-CB 3.07Å; A204-R207 PolarHBondContact O-N 3.38Å; Y205-R207 VanDerWaalsContact C-N 3.28Å; Y205-R207 PolarHBondContact O-N 2.91Å
208T86.4Confident85.7Confident79 Ų7976.4 Ų76.449%0.48545%0.446SS..Hα-helixtrans-85-26177.553.50000113.2A204 Y205 P210 Q227A204-T208 PolarHBondContact O-N 3.43Å; A204-T208 VanDerWaalsContact O-N 3.13Å; A204-T208 PolarHBondContact O-OG1 3.41Å; Y205-T208 PolarHBondContact O-N 3Å; Y205-T208 PolarHBondContact O-OG1 2.93Å; Y205-T208 VanDerWaalsContact O-OG1 3.07Å; T208-P210 WeakPolarHBondContact O-CD 3.3Å; T208-Q227 PolarHBondContact OG1-NE2 2.82Å
209N84.2Confident85.5Confident61 Ų6176.3 Ų76.333%0.32645%0.451SS..  trans-122.187-178.8-56.3-79.7000109.5Y205 A211 Q227Y205-N209 HydrophobicContact CD1-CB 4.48Å; Y205-N209 WeakPolarHBondContact CD2-ND2 3.37Å; Y205-N209 HydrophobicContact CE1-CB 4.13Å; Y205-N209 VanDerWaalsContact CE2-ND2 3.31Å; Y205-N209 WeakPolarHBondContact CE2-ND2 3.45Å; Y205-N209 WeakPolarHBondContact O-CB 3.27Å; Y205-N209 PolarHBondContact O-N 3.23Å; Y205-N209 PolarHBondContact O-ND2 2.99Å; N209-A211 PolarHBondContact O-N 3.46Å; N209-Q227 PolarHBondContact ND2-OE1 2.9Å
210P73.3Confident85.4Confident122 Ų12274.4 Ų74.479%0.79244%0.435SS*.  trans-75.5-8.4-176.629.9-36000114.3T208T208-P210 WeakPolarHBondContact O-CD 3.3Å
211A79.7Confident85.5Confident79 Ų7973.6 Ų73.665%0.65343%0.427SS*.SBendtrans-78.6134.2174.600000110.5N209 Y213N209-A211 PolarHBondContact O-N 3.46Å; A211-Y213 PolarHBondContact O-N 3.01Å
212P74.1Confident85.5Confident112 Ų11275.5 Ų75.573%0.72744%0.439SS*.PPolyproline II helixtrans-65.9132-178.726.7-34.1000111.6C214P212-C214 PolarHBondContact O-N 3.48Å; P212-C214 PolarHBondContact O-SG 3.23Å
213Y81.3Confident85.6Confident91 Ų9177 Ų7736%0.35745%0.446SS..PPolyproline II helixtrans-67.3118176.6-178-103.7000110.7A211 G215 P216 E220 L223A211-Y213 PolarHBondContact O-N 3.01Å; Y213-G215 VanDerWaalsContact C-N 3.3Å; Y213-G215 PolarHBondContact O-N 2.9Å; Y213-P216 VanDerWaalsContact CE1-O 3.28Å; Y213-P216 WeakPolarHBondContact CE1-O 3.14Å; Y213-E220 HydrophobicContact CD1-CB 3.83Å; Y213-E220 HydrophobicContact CE1-CB 4.34Å; Y213-E220 HydrophobicContact CG-CB 4.06Å; Y213-E220 HydrophobicContact CG-CG 4.48Å; Y213-L223 HydrophobicContact CD2-CD1 4.09Å; Y213-L223 HydrophobicContact CE2-CD1 3.48Å; Y213-L223 VanDerWaalsContact CE2-CD1 3.48Å
214C78.9Confident85.7Confident132 Ų13274.5 Ų74.589%0.89243%0.426SS*.  trans-85.96.9-174.1-64.10000114.5P212P212-C214 PolarHBondContact O-N 3.48Å; P212-C214 PolarHBondContact O-SG 3.23Å
215G81.2Confident85.8Confident33 Ų3372.8 Ų72.834%0.3441%0.411SS..SBendtrans-106.3-170.7-179.400000113.9Y213Y213-G215 VanDerWaalsContact C-N 3.3Å; Y213-G215 PolarHBondContact O-N 2.9Å
216P85.3Confident86Confident85 Ų8571 Ų7155%0.55241%0.405SS*.  trans-63.9141.8176.7-18.932000111.9Y213 Q218 G219Y213-P216 VanDerWaalsContact CE1-O 3.28Å; Y213-P216 WeakPolarHBondContact CE1-O 3.14Å; P216-Q218 PolarHBondContact O-N 3.01Å; P216-G219 WeakPolarHBondContact O-CA 3.36Å; P216-G219 PolarHBondContact O-N 3.22Å
217P84.4Confident86.1Confident89 Ų8968 Ų6858%0.57840%0.397SS*.Hα-helixtrans-51.6-33-175.9-29.635.8000115.1G219 E220 V221P217-G219 VanDerWaalsContact C-N 3.28Å; P217-G219 PolarHBondContact O-N 3.34Å; P217-E220 WeakPolarHBondContact O-CB 3.28Å; P217-E220 PolarHBondContact O-N 3.02Å; P217-V221 PolarHBondContact O-N 3.48Å
218Q84.9Confident86.2Confident93 Ų9361.6 Ų61.644%0.43537%0.374SS..Hα-helixtrans-63.9-32.7177.1-59.673.520.300112.2P216 V221 V222P216-Q218 PolarHBondContact O-N 3.01Å; Q218-V221 PolarHBondContact O-N 3.11Å; Q218-V222 WeakPolarHBondContact O-CG2 3.39Å; Q218-V222 PolarHBondContact O-N 2.95Å
219G87.5Confident86.3Confident19 Ų1957.9 Ų57.920%0.19635%0.351CS..Hα-helixtrans-67.1-35176.100000113P216 P217 V222 L223P216-G219 WeakPolarHBondContact O-CA 3.36Å; P216-G219 PolarHBondContact O-N 3.22Å; P217-G219 VanDerWaalsContact C-N 3.28Å; P217-G219 PolarHBondContact O-N 3.34Å; G219-V222 PolarHBondContact O-N 3.05Å; G219-L223 WeakPolarHBondContact O-CG 3.33Å; G219-L223 PolarHBondContact O-N 2.87Å; G219-L223 VanDerWaalsContact O-N 3.09Å
220E90.3Very high86.6Confident26 Ų2657.6 Ų57.612%0.12135%0.354CS..Hα-helixtrans-62.9-45.2171.3-171.1-171.2-162.600110.5Y205 R206 Y213 P217 V222 L223 A224Y205-E220 HydrophobicContact CD1-CG 4.18Å; Y205-E220 HydrophobicContact CE1-CG 4.21Å; R206-E220 VanDerWaalsContact CG-OE1 3.32Å; R206-E220 WeakPolarHBondContact CG-OE1 3.41Å; R206-E220 IonicContact CZ-OE1 3.37Å; R206-E220 IonicContact CZ-OE2 3.9Å; R206-E220 IonicContact NE-OE1 3.54Å; R206-E220 PolarHBondContact NE-OE1 3.35Å; R206-E220 IonicContact NE-OE2 3.95Å; R206-E220 IonicContact NH2-OE1 3.51Å; R206-E220 PolarHBondContact NH2-OE1 3.01Å; R206-E220 IonicContact NH2-OE2 3.4Å; R206-E220 PolarHBondContact NH2-OE2 3.41Å; Y213-E220 HydrophobicContact CD1-CB 3.83Å; Y213-E220 HydrophobicContact CE1-CB 4.34Å; Y213-E220 HydrophobicContact CG-CB 4.06Å; Y213-E220 HydrophobicContact CG-CG 4.48Å; P217-E220 WeakPolarHBondContact O-CB 3.28Å; P217-E220 PolarHBondContact O-N 3.02Å; E220-V222 PolarHBondContact O-N 3.03Å; E220-L223 PolarHBondContact O-N 2.92Å; E220-A224 VanDerWaalsContact O-CB 3.28Å; E220-A224 WeakPolarHBondContact O-CB 3.37Å; E220-A224 PolarHBondContact O-N 3.22Å
221V91.4Very high87.2Confident40 Ų4055.5 Ų55.524%0.24234%0.342CS..Hα-helixtrans-61-44.7178.1-179.80000111.3L184 R198 V202 P217 Q218 L223 A224 V225L184-V221 HydrophobicContact CD2-CG1 4.03Å; R198-V221 HydrophobicContact CB-CG1 4.47Å; R198-V221 HydrophobicContact CG-CG1 4.49Å; V202-V221 HydrophobicContact CG2-CB 4.5Å; V202-V221 HydrophobicContact CG2-CG2 4.09Å; P217-V221 PolarHBondContact O-N 3.48Å; Q218-V221 PolarHBondContact O-N 3.11Å; V221-L223 PolarHBondContact O-N 3.38Å; V221-A224 PolarHBondContact O-N 3.1Å; V221-V225 HydrophobicContact CG1-CG2 4.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.38Å; V221-V225 PolarHBondContact O-N 3.48Å
222V92.5Very high87.3Confident45 Ų4552.4 Ų52.427%0.27332%0.315SS..Hα-helixtrans-60.4-46.1176.9172.90000111.5L184 Q218 G219 E220 A226L184-V222 HydrophobicContact CD1-CG2 3.97Å; L184-V222 HydrophobicContact CD2-CG2 4.06Å; Q218-V222 WeakPolarHBondContact O-CG2 3.39Å; Q218-V222 PolarHBondContact O-N 2.95Å; G219-V222 PolarHBondContact O-N 3.05Å; E220-V222 PolarHBondContact O-N 3.03Å; V222-A226 WeakPolarHBondContact O-CB 3.37Å; V222-A226 PolarHBondContact O-N 2.94Å
223L92.9Very high86.8Confident45 Ų4550 Ų5024%0.23630%0.301CS..Hα-helixtrans-65.5-39.9178.1-69.5169000112.2I170 Y205 Y213 G219 E220 V221 A226 Q227I170-L223 HydrophobicContact CG2-CD2 4.06Å; Y205-L223 HydrophobicContact CE2-CB 3.88Å; Y213-L223 HydrophobicContact CD2-CD1 4.09Å; Y213-L223 HydrophobicContact CE2-CD1 3.48Å; Y213-L223 VanDerWaalsContact CE2-CD1 3.48Å; G219-L223 WeakPolarHBondContact O-CG 3.33Å; G219-L223 PolarHBondContact O-N 2.87Å; G219-L223 VanDerWaalsContact O-N 3.09Å; E220-L223 PolarHBondContact O-N 2.92Å; V221-L223 PolarHBondContact O-N 3.38Å; L223-A226 PolarHBondContact O-N 2.93Å; L223-Q227 PolarHBondContact O-N 2.97Å
224A92.2Very high85.5Confident1 Ų150 Ų501%0.00832%0.319CS..Hα-helixtrans-64.8-46.517800000112.5A201 V202 Y205 E220 V221 Q227 F228A201-A224 HydrophobicContact CB-CB 4.42Å; V202-A224 HydrophobicContact CB-CB 4.37Å; V202-A224 HydrophobicContact CG2-CB 3.82Å; Y205-A224 HydrophobicContact CD1-CB 4.46Å; Y205-A224 HydrophobicContact CD2-CB 4.13Å; Y205-A224 HydrophobicContact CG-CB 3.79Å; E220-A224 VanDerWaalsContact O-CB 3.28Å; E220-A224 WeakPolarHBondContact O-CB 3.37Å; E220-A224 PolarHBondContact O-N 3.22Å; V221-A224 PolarHBondContact O-N 3.1Å; A224-Q227 PolarHBondContact O-N 3.48Å; A224-F228 PolarHBondContact O-N 2.75Å
225V93.3Very high84.1Confident0 Ų045.8 Ų45.80%029%0.292CS..Hα-helixtrans-69.3-35.5177-178.90000110.7L180 L183 L184 R198 A201 V221 F228 V229L180-V225 HydrophobicContact CD1-CB 4.02Å; L180-V225 HydrophobicContact CD1-CG1 3.68Å; L183-V225 HydrophobicContact CB-CG1 3.67Å; L183-V225 HydrophobicContact CD1-CG1 4.2Å; L184-V225 HydrophobicContact CD2-CB 4.13Å; L184-V225 HydrophobicContact CD2-CG2 4.03Å; R198-V225 HydrophobicContact CB-CG2 4.4Å; R198-V225 HydrophobicContact CG-CG2 3.92Å; A201-V225 HydrophobicContact CB-CG2 4.28Å; V221-V225 HydrophobicContact CG1-CG2 4.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.38Å; V221-V225 PolarHBondContact O-N 3.48Å; V225-F228 WeakPolarHBondContact O-CB 3.26Å; V225-F228 PolarHBondContact O-N 2.9Å; V225-V229 HydrophobicContact CG1-CG2 4.4Å; V225-V229 WeakPolarHBondContact O-CG2 3.48Å; V225-V229 PolarHBondContact O-N 2.86Å
226A93.2Very high82.4Confident0 Ų050.7 Ų50.70%032%0.317CS..Hα-helixtrans-63.4-45.3173.600000112.4I170 L172 L180 V222 L223 F228 V229 S230I170-A226 HydrophobicContact CB-CB 3.96Å; I170-A226 HydrophobicContact CD1-CB 4.26Å; I170-A226 HydrophobicContact CG1-CB 4.22Å; L172-A226 HydrophobicContact CD1-CB 3.83Å; L172-A226 WeakPolarHBondContact CD2-O 3.35Å; L172-A226 HydrophobicContact CG-CB 4.16Å; L180-A226 HydrophobicContact CD1-CB 4.33Å; V222-A226 WeakPolarHBondContact O-CB 3.37Å; V222-A226 PolarHBondContact O-N 2.94Å; L223-A226 PolarHBondContact O-N 2.93Å; A226-F228 VanDerWaalsContact C-N 3.28Å; A226-F228 PolarHBondContact O-N 3.24Å; A226-V229 PolarHBondContact O-N 3.13Å; A226-S230 WeakPolarHBondContact O-CB 3.21Å; A226-S230 PolarHBondContact O-N 3.34Å
227Q91.9Very high80.5Confident81 Ų8155 Ų5538%0.37933%0.33SS..Hα-helixtrans-61-39174.2-174.3176.4-3.900111.5Y205 T208 N209 L223 A224 S230 S231Y205-Q227 HydrophobicContact CD2-CB 4.46Å; T208-Q227 PolarHBondContact OG1-NE2 2.82Å; N209-Q227 PolarHBondContact ND2-OE1 2.9Å; L223-Q227 PolarHBondContact O-N 2.97Å; A224-Q227 PolarHBondContact O-N 3.48Å; Q227-S230 PolarHBondContact O-N 3.27Å; Q227-S231 PolarHBondContact O-N 2.7Å
228F90.7Very high79Confident61 Ų6153.9 Ų53.927%0.26832%0.317SS..Hα-helixtrans-62.3-51.3174.3177.3-112.1000111.9L183 I197 A201 A224 V225 A226 S230 S231 L232 L246L183-F228 HydrophobicContact CD1-CD1 4.25Å; L183-F228 HydrophobicContact CD1-CE1 4.28Å; I197-F228 HydrophobicContact CG2-CD1 4.01Å; I197-F228 HydrophobicContact CG2-CE1 3.53Å; I197-F228 HydrophobicContact CG2-CZ 4.19Å; A201-F228 HydrophobicContact CB-CB 3.97Å; A201-F228 HydrophobicContact CB-CG 4.36Å; A224-F228 PolarHBondContact O-N 2.75Å; V225-F228 WeakPolarHBondContact O-CB 3.26Å; V225-F228 PolarHBondContact O-N 2.9Å; A226-F228 VanDerWaalsContact C-N 3.28Å; A226-F228 PolarHBondContact O-N 3.24Å; F228-S230 VanDerWaalsContact C-N 3.3Å; F228-S230 PolarHBondContact O-N 3.46Å; F228-S231 WeakPolarHBondContact O-CB 3.37Å; F228-S231 PolarHBondContact O-N 2.67Å; F228-S231 PolarHBondContact O-OG 3.22Å; F228-L232 HydrophobicContact CD1-CD1 4.29Å; F228-L232 HydrophobicContact CE1-CD1 3.85Å; F228-L232 HydrophobicContact CE2-CD2 4.25Å; F228-L232 HydrophobicContact CZ-CD1 4.1Å; F228-L232 HydrophobicContact CZ-CD2 4.12Å; F228-L232 HydrophobicContact CZ-CG 4.43Å; F228-L232 PolarHBondContact O-N 3Å; F228-L246 HydrophobicContact CE1-CD1 3.65Å; F228-L246 HydrophobicContact CZ-CD1 3.81Å
229V90.3Very high77.4Confident0 Ų055.8 Ų55.80%034%0.335CS..Hα-helixtrans-57.7-42.3176.8171.60000111.7L172 Q176 L179 L183 V225 A226 S231 L232L172-V229 HydrophobicContact CD1-CG1 4.47Å; L172-V229 HydrophobicContact CD2-CB 4.06Å; L172-V229 HydrophobicContact CD2-CG1 3.82Å; Q176-V229 HydrophobicContact CB-CG1 3.92Å; Q176-V229 HydrophobicContact CG-CG1 4.24Å; L179-V229 HydrophobicContact CD2-CG1 4.13Å; L179-V229 HydrophobicContact CD2-CG2 4.49Å; L179-V229 HydrophobicContact CG-CG2 4.34Å; L183-V229 HydrophobicContact CD1-CG2 3.6Å; V225-V229 HydrophobicContact CG1-CG2 4.4Å; V225-V229 WeakPolarHBondContact O-CG2 3.48Å; V225-V229 PolarHBondContact O-N 2.86Å; A226-V229 PolarHBondContact O-N 3.13Å; V229-S231 PolarHBondContact O-N 2.91Å; V229-L232 PolarHBondContact O-N 3.15Å; V229-L232 VanDerWaalsContact O-N 3.12Å
230S88.7Confident76.1Confident56 Ų5656.5 Ų56.539%0.39234%0.343SS..Hα-helixtrans-59.3-34.9176.4-172.40000112.5G171 A226 Q227 F228 L232G171-S230 PolarHBondContact O-OG 3.16Å; A226-S230 WeakPolarHBondContact O-CB 3.21Å; A226-S230 PolarHBondContact O-N 3.34Å; Q227-S230 PolarHBondContact O-N 3.27Å; F228-S230 VanDerWaalsContact C-N 3.3Å; F228-S230 PolarHBondContact O-N 3.46Å; S230-L232 VanDerWaalsContact C-N 3.34Å
231S86.8Confident75Confident77 Ų7757.6 Ų57.654%0.53835%0.349SS..Hα-helixtrans-73.6-21.5178.774.40000114.2Q227 F228 V229Q227-S231 PolarHBondContact O-N 2.7Å; F228-S231 WeakPolarHBondContact O-CB 3.37Å; F228-S231 PolarHBondContact O-N 2.67Å; F228-S231 PolarHBondContact O-OG 3.22Å; V229-S231 PolarHBondContact O-N 2.91Å
232L81.6Confident74.3Confident14 Ų1455.9 Ų55.97%0.07334%0.338CS..Hα-helixtrans-78.7-23.1-179.8-62.2173.9000113.3F228 V229 S230 P243 S245 L246F228-L232 HydrophobicContact CD1-CD1 4.29Å; F228-L232 HydrophobicContact CE1-CD1 3.85Å; F228-L232 HydrophobicContact CE2-CD2 4.25Å; F228-L232 HydrophobicContact CZ-CD1 4.1Å; F228-L232 HydrophobicContact CZ-CD2 4.12Å; F228-L232 HydrophobicContact CZ-CG 4.43Å; F228-L232 PolarHBondContact O-N 3Å; V229-L232 PolarHBondContact O-N 3.15Å; V229-L232 VanDerWaalsContact O-N 3.12Å; S230-L232 VanDerWaalsContact C-N 3.34Å; L232-P243 HydrophobicContact CB-CB 4.18Å; L232-P243 HydrophobicContact CB-CG 4.18Å; L232-S245 WeakPolarHBondContact CD2-OG 3.38Å; L232-S245 PolarHBondContact O-OG 2.94Å; L232-L246 HydrophobicContact CD1-CB 4.34Å; L232-L246 HydrophobicContact CD1-CD1 3.76Å
233S63.7Low73.6Confident62 Ų6254.3 Ų54.343%0.43433%0.33SS..THydrogen-bonded Turntrans-98.825.9-172.7-55.60000114Q176 S235Q176-S233 VanDerWaalsContact NE2-CB 3.29Å; Q176-S233 PolarHBondContact NE2-OG 3.44Å; S233-S235 VanDerWaalsContact C-N 3.35Å
234A53.1Low72.5Confident90 Ų9058.6 Ų58.674%0.74435%0.348SS*.  trans-81.7-8.7179.600000114.2
235S50.2Low71.5Confident45 Ų4561.1 Ų61.132%0.31537%0.366SS..  trans-101.2115.6-179.242.60000111.2S233 E237 E238S233-S235 VanDerWaalsContact C-N 3.35Å; S235-E237 PolarHBondContact O-N 3.14Å; S235-E237 VanDerWaalsContact O-N 3.14Å; S235-E238 PolarHBondContact OG-OE1 3.49Å
236P46.5Very low70.7Confident135 Ų13561.3 Ų61.388%0.87737%0.366SS*.THydrogen-bonded Turntrans-75.44.8-176.929.3-34.9000115.4
237E45.1Very low69.8Low176 Ų17669.1 Ų69.182%0.82241%0.408SS*.THydrogen-bonded Turntrans-104.2-4.4-178.2-63.6-175161.700113.9S235 T239S235-E237 PolarHBondContact O-N 3.14Å; S235-E237 VanDerWaalsContact O-N 3.14Å; E237-T239 PolarHBondContact O-N 2.97Å
238E52.8Low69.3Low65 Ų6566.3 Ų66.330%0.30440%0.396SS..  trans-86.690.7-176.6-66.5-172.6-14300112.6S235 G240 P243 H244S235-E238 PolarHBondContact OG-OE1 3.49Å; E238-G240 VanDerWaalsContact C-N 3.29Å; E238-G240 PolarHBondContact O-N 3.49Å; E238-P243 VanDerWaalsContact OE2-CA 3.25Å; E238-P243 WeakPolarHBondContact OE2-CA 3.33Å; E238-P243 WeakPolarHBondContact OE2-CB 3.44Å; E238-H244 PolarHBondContact OE2-N 3.43Å
239T51Low69Low134 Ų13465.8 Ų65.882%0.82240%0.404SS*.  trans-82.97.7179.849.10000115.1E237E237-T239 PolarHBondContact O-N 2.97Å
240G60.8Low68.5Low34 Ų3470.5 Ų70.535%0.35144%0.437SS..SBendtrans-92.6142.1-178.500000113.8E238 V242E238-G240 VanDerWaalsContact C-N 3.29Å; E238-G240 PolarHBondContact O-N 3.49Å; G240-V242 PolarHBondContact O-N 2.78Å
241L67.7Low68.2Low49 Ų4972.2 Ų72.226%0.25745%0.448SS..SBendtrans-53.2-27.4176-69.4172.6000114.2I260 Y271L241-I260 HydrophobicContact CB-CG2 4.43Å; L241-I260 HydrophobicContact CD2-CG2 4.06Å; L241-I260 WeakPolarHBondContact O-CD1 3.2Å; L241-Y271 HydrophobicContact CD1-CE1 4.36Å; L241-Y271 HydrophobicContact CD2-CD1 4.48Å; L241-Y271 HydrophobicContact CD2-CD2 4.37Å; L241-Y271 HydrophobicContact CD2-CE1 3.93Å; L241-Y271 HydrophobicContact CD2-CE2 3.79Å; L241-Y271 HydrophobicContact CG-CE1 4.01Å
242V76.3Confident68.1Low3 Ų370.9 Ų70.92%0.01843%0.434CS..SBendtrans-120.7118.6175.2-178.70000107.6G240 L246 R253 L256 K257 I260G240-V242 PolarHBondContact O-N 2.78Å; V242-L246 HydrophobicContact CG1-CB 4.48Å; V242-L246 HydrophobicContact CG1-CD2 3.67Å; V242-R253 HydrophobicContact CB-CG 4.44Å; V242-R253 HydrophobicContact CG1-CG 4.37Å; V242-R253 PolarHBondContact O-NH1 3.32Å; V242-L256 HydrophobicContact CG1-CD1 4.18Å; V242-L256 HydrophobicContact CG2-CB 3.77Å; V242-K257 HydrophobicContact CG2-CG 3.84Å; V242-I260 HydrophobicContact CG2-CD1 3.94Å
243P76.9Confident68.3Low13 Ų1372 Ų728%0.08444%0.437CS..  trans-52.2141.3179.7-29.235.7000112.7L179 L232 E238 S245 L246 R253L179-P243 HydrophobicContact CD2-CG 4.08Å; L232-P243 HydrophobicContact CB-CB 4.18Å; L232-P243 HydrophobicContact CB-CG 4.18Å; E238-P243 VanDerWaalsContact OE2-CA 3.25Å; E238-P243 WeakPolarHBondContact OE2-CA 3.33Å; E238-P243 WeakPolarHBondContact OE2-CB 3.44Å; P243-S245 VanDerWaalsContact C-N 3.28Å; P243-S245 VanDerWaalsContact CB-OG 3.3Å; P243-S245 WeakPolarHBondContact CB-OG 3.32Å; P243-L246 WeakPolarHBondContact O-CB 3.14Å; P243-L246 PolarHBondContact O-N 3.1Å; P243-R253 PolarHBondContact O-NH1 2.8Å; P243-R253 PolarHBondContact O-NH2 3.45Å
244H70.3Confident69.3Low135 Ų13573.4 Ų73.463%0.62544%0.437SS*.THydrogen-bonded Turntrans-69.2-29.8174.2-75.6-78.4000111.7E238 L246E238-H244 PolarHBondContact OE2-N 3.43Å; H244-L246 PolarHBondContact O-N 3.45Å
245S70.3Confident70.8Confident54 Ų5471.6 Ų71.638%0.37841%0.414SS..THydrogen-bonded Turntrans-56.6-22.5169.155.90000114.1L232 P243 N247L232-S245 WeakPolarHBondContact CD2-OG 3.38Å; L232-S245 PolarHBondContact O-OG 2.94Å; P243-S245 VanDerWaalsContact C-N 3.28Å; P243-S245 VanDerWaalsContact CB-OG 3.3Å; P243-S245 WeakPolarHBondContact CB-OG 3.32Å; S245-N247 PolarHBondContact O-N 2.67Å; S245-N247 VanDerWaalsContact O-N 3.1Å
246L76.6Confident72.6Confident3 Ų369.5 Ų69.52%0.01640%0.399CS..SBendtrans-75.395172.1-167.873.9000110.5L183 F228 L232 V242 P243 H244 V248 R253 L256L183-L246 HydrophobicContact CD2-CD2 4.5Å; F228-L246 HydrophobicContact CE1-CD1 3.65Å; F228-L246 HydrophobicContact CZ-CD1 3.81Å; L232-L246 HydrophobicContact CD1-CB 4.34Å; L232-L246 HydrophobicContact CD1-CD1 3.76Å; V242-L246 HydrophobicContact CG1-CB 4.48Å; V242-L246 HydrophobicContact CG1-CD2 3.67Å; P243-L246 WeakPolarHBondContact O-CB 3.14Å; P243-L246 PolarHBondContact O-N 3.1Å; H244-L246 PolarHBondContact O-N 3.45Å; L246-V248 VanDerWaalsContact C-N 3.3Å; L246-V248 HydrophobicContact CD2-CG1 4.19Å; L246-V248 HydrophobicContact CD2-CG2 3.97Å; L246-V248 HydrophobicContact CG-CG1 3.96Å; L246-V248 HydrophobicContact CG-CG2 4.08Å; L246-V248 PolarHBondContact O-N 3.36Å; L246-R253 PolarHBondContact O-NH2 3.35Å; L246-L256 HydrophobicContact CD2-CD1 3.52Å
247N75.4Confident74.6Confident164 Ų16466.5 Ų66.588%0.87737%0.373SS*.  trans-72.878.3179.2-170.914.5000112.1S245S245-N247 PolarHBondContact O-N 2.67Å; S245-N247 VanDerWaalsContact O-N 3.1Å
248V80.8Confident76.4Confident22 Ų2264.9 Ų64.913%0.13336%0.363CS..  trans-121.7152.5176.8-71.10000111I197 L246 Q252 R253 L256I197-V248 HydrophobicContact CD1-CG1 3.73Å; L246-V248 VanDerWaalsContact C-N 3.3Å; L246-V248 HydrophobicContact CD2-CG1 4.19Å; L246-V248 HydrophobicContact CD2-CG2 3.97Å; L246-V248 HydrophobicContact CG-CG1 3.96Å; L246-V248 HydrophobicContact CG-CG2 4.08Å; L246-V248 PolarHBondContact O-N 3.36Å; V248-Q252 HydrophobicContact CB-CB 4.14Å; V248-R253 HydrophobicContact CG2-CB 4.17Å; V248-L256 HydrophobicContact CG2-CD1 4.15Å
249A83.5Confident78.1Confident51 Ų5161.8 Ų61.842%0.42135%0.348SS..  trans-61.8152.1178.300000111.8S251 Q252 R253A249-S251 PolarHBondContact O-N 2.75Å; A249-S251 VanDerWaalsContact O-N 3.16Å; A249-Q252 HydrophobicContact CB-CG 4.44Å; A249-Q252 WeakPolarHBondContact O-CA 3.3Å; A249-Q252 WeakPolarHBondContact O-CB 3.46Å; A249-Q252 PolarHBondContact O-N 2.98Å; A249-R253 PolarHBondContact O-N 3.01Å
250S81.5Confident79.9Confident99 Ų9955.8 Ų55.869%0.69231%0.311SS*.Hα-helixtrans-55-38.4-176.8-470000113.2R253 E254S250-R253 PolarHBondContact O-N 3.2Å; S250-E254 PolarHBondContact O-N 3.33Å
251S82.5Confident81.1Confident91 Ų9156.3 Ų56.364%0.63631%0.309SS*.Hα-helixtrans-64.1-41.3175.450.30000113.1A249 L255A249-S251 PolarHBondContact O-N 2.75Å; A249-S251 VanDerWaalsContact O-N 3.16Å; S251-L255 PolarHBondContact O-N 3.25Å; S251-L255 VanDerWaalsContact O-N 3.14Å
252Q83.4Confident82Confident49 Ų4955.8 Ų55.823%0.22931%0.309CS..Hα-helixtrans-68-38.3174.6-65.7175.9-45.100111.3L193 V248 A249 L255 L256L193-Q252 HydrophobicContact CD1-CG 4.44Å; L193-Q252 HydrophobicContact CD2-CG 4.4Å; V248-Q252 HydrophobicContact CB-CB 4.14Å; A249-Q252 HydrophobicContact CB-CG 4.44Å; A249-Q252 WeakPolarHBondContact O-CA 3.3Å; A249-Q252 WeakPolarHBondContact O-CB 3.46Å; A249-Q252 PolarHBondContact O-N 2.98Å; Q252-L255 PolarHBondContact O-N 3.14Å; Q252-L256 WeakPolarHBondContact O-CB 3.48Å; Q252-L256 VanDerWaalsContact O-CG 3.31Å; Q252-L256 WeakPolarHBondContact O-CG 3.45Å; Q252-L256 PolarHBondContact O-N 2.98Å
253R85.8Confident82.7Confident37 Ų3756 Ų5614%0.1431%0.31CS..Hα-helixtrans-61.3-43.3176.3-178.3170.7-74.3-86.9-6.2112.2V242 P243 L246 V248 A249 S250 L256 K257V242-R253 HydrophobicContact CB-CG 4.44Å; V242-R253 HydrophobicContact CG1-CG 4.37Å; V242-R253 PolarHBondContact O-NH1 3.32Å; P243-R253 PolarHBondContact O-NH1 2.8Å; P243-R253 PolarHBondContact O-NH2 3.45Å; L246-R253 PolarHBondContact O-NH2 3.35Å; V248-R253 HydrophobicContact CG2-CB 4.17Å; A249-R253 PolarHBondContact O-N 3.01Å; S250-R253 PolarHBondContact O-N 3.2Å; R253-L256 PolarHBondContact O-N 2.81Å; R253-K257 WeakPolarHBondContact O-CG 3.46Å; R253-K257 PolarHBondContact O-N 2.92Å
254E85.3Confident83.2Confident93 Ų9357.2 Ų57.244%0.43532%0.316SS..Hα-helixtrans-67.7-35.2174.4-64.9-47.7123.400112.7S250 K257 K258S250-E254 PolarHBondContact O-N 3.33Å; E254-K257 PolarHBondContact O-N 3.27Å; E254-K257 WeakPolarHBondContact OE1-CE 3.46Å; E254-K257 IonicContact OE1-NZ 3.63Å; E254-K257 PolarHBondContact OE1-NZ 3.34Å; E254-K257 WeakPolarHBondContact OE2-CD 3.44Å; E254-K257 IonicContact OE2-NZ 2.68Å; E254-K257 PolarHBondContact OE2-NZ 3.36Å; E254-K258 WeakPolarHBondContact O-CG 3.43Å; E254-K258 PolarHBondContact O-N 3.34Å
255L85.3Confident84Confident52 Ų5251 Ų5127%0.27229%0.287SS..Hα-helixtrans-67.2-41.7174.3-167.569.7000112V188 V189 L193 S251 Q252 K258 G259V188-L255 HydrophobicContact CG1-CD1 4.25Å; V189-L255 HydrophobicContact CG2-CG 4.22Å; L193-L255 HydrophobicContact CD2-CD2 3.48Å; L193-L255 VanDerWaalsContact CD2-CD2 3.48Å; S251-L255 PolarHBondContact O-N 3.25Å; S251-L255 VanDerWaalsContact O-N 3.14Å; Q252-L255 PolarHBondContact O-N 3.14Å; L255-K258 WeakPolarHBondContact O-CB 3.38Å; L255-K258 PolarHBondContact O-N 3.12Å; L255-G259 PolarHBondContact O-N 2.89Å
256L87.8Confident84.4Confident0 Ų049.9 Ų49.90%028%0.278CS..Hα-helixtrans-61.6-41.6174.2-73.3172.5000111.8C182 L183 V189 M194 V242 L246 V248 Q252 R253 K258 G259 I260C182-L256 HydrophobicContact CB-CD2 3.67Å; L183-L256 HydrophobicContact CD2-CD2 4.21Å; V189-L256 HydrophobicContact CG1-CD2 4.09Å; V189-L256 HydrophobicContact CG2-CD2 4.28Å; M194-L256 HydrophobicContact SD-CD2 3.99Å; V242-L256 HydrophobicContact CG1-CD1 4.18Å; V242-L256 HydrophobicContact CG2-CB 3.77Å; L246-L256 HydrophobicContact CD2-CD1 3.52Å; V248-L256 HydrophobicContact CG2-CD1 4.15Å; Q252-L256 WeakPolarHBondContact O-CB 3.48Å; Q252-L256 VanDerWaalsContact O-CG 3.31Å; Q252-L256 WeakPolarHBondContact O-CG 3.45Å; Q252-L256 PolarHBondContact O-N 2.98Å; R253-L256 PolarHBondContact O-N 2.81Å; L256-K258 PolarHBondContact O-N 3.1Å; L256-G259 PolarHBondContact O-N 3.47Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 3.09Å
257K86.6Confident84Confident72 Ų7253 Ų5331%0.31331%0.312SS..Hα-helixtrans-57.2-48.3171.7-74.1173.6-178.9173.50111.1V242 R253 E254 G259 I260 C261V242-K257 HydrophobicContact CG2-CG 3.84Å; R253-K257 WeakPolarHBondContact O-CG 3.46Å; R253-K257 PolarHBondContact O-N 2.92Å; E254-K257 PolarHBondContact O-N 3.27Å; E254-K257 WeakPolarHBondContact OE1-CE 3.46Å; E254-K257 IonicContact OE1-NZ 3.63Å; E254-K257 PolarHBondContact OE1-NZ 3.34Å; E254-K257 WeakPolarHBondContact OE2-CD 3.44Å; E254-K257 IonicContact OE2-NZ 2.68Å; E254-K257 PolarHBondContact OE2-NZ 3.36Å; K257-G259 PolarHBondContact O-N 3.3Å; K257-I260 PolarHBondContact O-N 3.4Å; K257-C261 WeakPolarHBondContact O-CB 3.43Å; K257-C261 PolarHBondContact O-N 3.27Å; K257-C261 PolarHBondContact O-SG 3.26Å
258K84.9Confident83.4Confident142 Ų14248.3 Ų48.362%0.61728%0.284SS*.Hα-helixtrans-58.7-45.3177.8-72.3178.5178.9-173.10112.4V188 E254 L255 L256 I260 C261 S262V188-K258 HydrophobicContact CG1-CB 4.09Å; E254-K258 WeakPolarHBondContact O-CG 3.43Å; E254-K258 PolarHBondContact O-N 3.34Å; L255-K258 WeakPolarHBondContact O-CB 3.38Å; L255-K258 PolarHBondContact O-N 3.12Å; L256-K258 PolarHBondContact O-N 3.1Å; K258-I260 VanDerWaalsContact C-N 3.32Å; K258-I260 PolarHBondContact O-N 3Å; K258-C261 PolarHBondContact O-N 3.15Å; K258-S262 PolarHBondContact O-N 3.17Å
259G87.5Confident81.8Confident0 Ų057 Ų570%032%0.32CS..Hα-helixtrans-69.6-24.217800000114.5C182 L255 L256 K257 S262 Y263C182-G259 VanDerWaalsContact SG-CA 3.59Å; C182-G259 PolarHBondContact SG-O 2.68Å; C182-G259 VanDerWaalsContact SG-O 3.4Å; L255-G259 PolarHBondContact O-N 2.89Å; L256-G259 PolarHBondContact O-N 3.47Å; K257-G259 PolarHBondContact O-N 3.3Å; G259-S262 PolarHBondContact O-OG 3.01Å; G259-Y263 VanDerWaalsContact O-CD2 3.26Å; G259-Y263 WeakPolarHBondContact O-CD2 3.41Å; G259-Y263 WeakPolarHBondContact O-CE2 3.41Å
260I88.9Confident80.1Confident9 Ų961.2 Ų61.25%0.04634%0.336CS..Hα-helixtrans-75.3-45169.6-71.5170.7000109.8P178 L179 L241 V242 L256 K257 K258 S262 Y263P178-I260 HydrophobicContact CB-CB 4.27Å; P178-I260 HydrophobicContact CB-CG1 4.13Å; P178-I260 HydrophobicContact CB-CG2 3.98Å; L179-I260 HydrophobicContact CB-CD1 4.02Å; L179-I260 HydrophobicContact CD1-CD1 4.09Å; L241-I260 HydrophobicContact CB-CG2 4.43Å; L241-I260 HydrophobicContact CD2-CG2 4.06Å; L241-I260 WeakPolarHBondContact O-CD1 3.2Å; V242-I260 HydrophobicContact CG2-CD1 3.94Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 3.09Å; K257-I260 PolarHBondContact O-N 3.4Å; K258-I260 VanDerWaalsContact C-N 3.32Å; K258-I260 PolarHBondContact O-N 3Å; I260-S262 VanDerWaalsContact C-N 3.25Å; I260-S262 PolarHBondContact O-N 2.77Å; I260-Y263 PolarHBondContact O-N 3.46Å; I260-Y263 VanDerWaalsContact O-N 3.12Å
261C86.3Confident78.5Confident44 Ų4461.3 Ų61.330%0.29732%0.322SS..Hα-helixtrans-62.1-27.8178.4-68.90000113.5K257 K258 Y263 L264K257-C261 WeakPolarHBondContact O-CB 3.43Å; K257-C261 PolarHBondContact O-N 3.27Å; K257-C261 PolarHBondContact O-SG 3.26Å; K258-C261 PolarHBondContact O-N 3.15Å; C261-Y263 PolarHBondContact O-N 3.19Å; C261-L264 HydrophobicContact CB-CD1 4.5Å; C261-L264 PolarHBondContact O-N 3.07Å; C261-L264 VanDerWaalsContact O-N 3.15Å
262S87.1Confident76.5Confident38 Ų3866 Ų6627%0.26633%0.333SS..THydrogen-bonded Turntrans-64.6-17.3175.253.70000114.1Y140 K258 G259 I260Y140-S262 WeakPolarHBondContact CE1-O 3.47Å; Y140-S262 PolarHBondContact OH-O 3.49Å; K258-S262 PolarHBondContact O-N 3.17Å; G259-S262 PolarHBondContact O-OG 3.01Å; I260-S262 VanDerWaalsContact C-N 3.25Å; I260-S262 PolarHBondContact O-N 2.77Å
263Y89.8Confident74.7Confident9 Ų967.8 Ų67.84%0.03534%0.344CS..THydrogen-bonded Turntrans-97.9-2.2174.7-62-66.1000114.6D136 I139 Y140 P178 A181 N186 G259 I260 C261D136-Y263 HydrophobicContact CB-CE1 4.06Å; D136-Y263 VanDerWaalsContact OD2-CE1 3.23Å; D136-Y263 WeakPolarHBondContact OD2-CE1 3.45Å; D136-Y263 VanDerWaalsContact OD2-CZ 3.31Å; D136-Y263 PolarHBondContact OD2-OH 2.99Å; I139-Y263 HydrophobicContact CB-CD1 3.98Å; I139-Y263 HydrophobicContact CB-CE1 4.08Å; I139-Y263 HydrophobicContact CB-CG 4.34Å; I139-Y263 HydrophobicContact CG2-CD1 3.75Å; I139-Y263 HydrophobicContact CG2-CD2 3.75Å; I139-Y263 HydrophobicContact CG2-CE1 4.08Å; I139-Y263 HydrophobicContact CG2-CE2 4.02Å; I139-Y263 HydrophobicContact CG2-CG 3.6Å; Y140-Y263 HydrophobicContact CD1-CD1 4.12Å; Y140-Y263 HydrophobicContact CD2-CD1 4.2Å; Y140-Y263 AromaticContact CE1-CD1 3.84Å; Y140-Y263 HydrophobicContact CE1-CD1 3.84Å; Y140-Y263 AromaticContact CE2-CD1 3.9Å; Y140-Y263 HydrophobicContact CE2-CD1 3.9Å; Y140-Y263 HydrophobicContact CE2-CE1 4.15Å; Y140-Y263 HydrophobicContact CG-CD1 4.29Å; Y140-Y263 AromaticContact CZ-CD1 3.7Å; P178-Y263 HydrophobicContact CB-CD2 3.99Å; A181-Y263 HydrophobicContact CB-CE2 3.83Å; N186-Y263 WeakPolarHBondContact CB-OH 3.46Å; N186-Y263 WeakPolarHBondContact ND2-CE2 3.22Å; N186-Y263 PolarHBondContact ND2-OH 3.24Å; G259-Y263 VanDerWaalsContact O-CD2 3.26Å; G259-Y263 WeakPolarHBondContact O-CD2 3.41Å; G259-Y263 WeakPolarHBondContact O-CE2 3.41Å; I260-Y263 PolarHBondContact O-N 3.46Å; I260-Y263 VanDerWaalsContact O-N 3.12Å; C261-Y263 PolarHBondContact O-N 3.19Å
264L87.5Confident72.5Confident38 Ų3870.9 Ų70.920%0.19937%0.367CS..PPolyproline II helixtrans-83.2122.7-178.7-62.1-178.9000110.7C261 Y271C261-L264 HydrophobicContact CB-CD1 4.5Å; C261-L264 PolarHBondContact O-N 3.07Å; C261-L264 VanDerWaalsContact O-N 3.15Å; L264-Y271 HydrophobicContact CD1-CD2 4.39Å; L264-Y271 HydrophobicContact CD1-CG 4.45Å
265L87.2Confident70.2Confident3 Ų373.1 Ų73.12%0.01638%0.382CS..PPolyproline II helixtrans-95.9156.7-179.1-62.1-178.4000112Y116 A119 H123 Y140 G267 H268Y116-L265 HydrophobicContact CD2-CD2 4.21Å; Y116-L265 HydrophobicContact CE2-CD2 4Å; A119-L265 HydrophobicContact CB-CD1 4.19Å; A119-L265 HydrophobicContact CB-CD2 4.13Å; H123-L265 HydrophobicContact CB-CD1 4.01Å; Y140-L265 HydrophobicContact CD1-CD1 4.37Å; Y140-L265 HydrophobicContact CD1-CD2 3.76Å; Y140-L265 HydrophobicContact CD1-CG 4.08Å; Y140-L265 HydrophobicContact CE1-CD2 4.07Å; L265-G267 PolarHBondContact O-N 3.29Å; L265-H268 PolarHBondContact O-CD2 3.24Å
266P78.8Confident68.1Low31 Ų3175 Ų7520%0.20139%0.391CS..THydrogen-bonded Turntrans-56.3136.2179.2-25.335000113.1L273P266-L273 HydrophobicContact CB-CD1 4.42Å; P266-L273 HydrophobicContact CG-CD1 4.47Å
267G67.1Low65.9Low70 Ų7079.7 Ų79.772%0.72242%0.424SS*.THydrogen-bonded Turntrans98.8-3.517700000115.7L265 K269L265-G267 PolarHBondContact O-N 3.29Å; G267-K269 PolarHBondContact O-N 2.86Å
268H63.9Low64.3Low64 Ų6480.6 Ų80.630%0.29644%0.435SS..  trans-67.6114.8168.7-81.5-115.3000110.4D141 L265 D270D141-H268 IonicContact OD2-CE1 3.3Å; L265-H268 PolarHBondContact O-CD2 3.24Å; H268-D270 VanDerWaalsContact C-N 3.3Å; H268-D270 PolarHBondContact O-N 3.24Å
269K46.8Very low63Low205 Ų20578.7 Ų78.789%0.89144%0.437SS*.THydrogen-bonded Turntrans-69-16.4-163-70.6-173.5175.5-177.60116.6G267G267-K269 PolarHBondContact O-N 2.86Å
270D47.2Very low62.3Low139 Ų13983.5 Ų83.574%0.74347%0.469SS*.THydrogen-bonded Turntrans-95.4-8.3-171.6-56.9-49.1000113.5H268H268-D270 VanDerWaalsContact C-N 3.3Å; H268-D270 PolarHBondContact O-N 3.24Å
271Y48Very low62Low102 Ų10284.7 Ų84.740%0.448%0.478SS..  trans-141.6112.6-177.4-57.1-75.2000110.1L241 L264 L273L241-Y271 HydrophobicContact CD1-CE1 4.36Å; L241-Y271 HydrophobicContact CD2-CD1 4.48Å; L241-Y271 HydrophobicContact CD2-CD2 4.37Å; L241-Y271 HydrophobicContact CD2-CE1 3.93Å; L241-Y271 HydrophobicContact CD2-CE2 3.79Å; L241-Y271 HydrophobicContact CG-CE1 4.01Å; L264-Y271 HydrophobicContact CD1-CD2 4.39Å; L264-Y271 HydrophobicContact CD1-CG 4.45Å; Y271-L273 PolarHBondContact O-N 2.97Å
272E41.1Very low62Low188 Ų18885 Ų8588%0.87948%0.484SS*.  trans-54135.1157.2-67.6-179.5151.900107.4V274E272-V274 PolarHBondContact O-N 3.42Å; E272-V274 VanDerWaalsContact O-N 3.11Å
273L46.3Very low62.1Low87 Ų8784 Ų8446%0.45548%0.475SS..  trans-54.2126.7168.7-90.896.1000106.5P266 Y271 D275P266-L273 HydrophobicContact CB-CD1 4.42Å; P266-L273 HydrophobicContact CG-CD1 4.47Å; Y271-L273 PolarHBondContact O-N 2.97Å; L273-D275 PolarHBondContact O-N 3.29Å
274V39.2Very low62.1Low102 Ų10288.4 Ų88.462%0.61850%0.496SS*.  trans-56.3113.8168.1178.20000105.7E272 I276E272-V274 PolarHBondContact O-N 3.42Å; E272-V274 VanDerWaalsContact O-N 3.11Å; V274-I276 VanDerWaalsContact C-N 3.34Å; V274-I276 VanDerWaalsContact O-CG1 3.24Å; V274-I276 WeakPolarHBondContact O-CG1 3.42Å; V274-I276 PolarHBondContact O-N 3.37Å
275D37.2Very low62.1Low140 Ų14095.8 Ų95.875%0.74953%0.526SS*.  trans-56.597.7173.8-136.735.3000106L273 S277L273-D275 PolarHBondContact O-N 3.29Å; D275-S277 PolarHBondContact O-N 2.69Å
276I41.2Very low62.1Low93 Ų9397 Ų9748%0.47753%0.531SS..  trans-85.563.3-179.6-46.1178.6000107.2V274 V278 P689V274-I276 VanDerWaalsContact C-N 3.34Å; V274-I276 VanDerWaalsContact O-CG1 3.24Å; V274-I276 WeakPolarHBondContact O-CG1 3.42Å; V274-I276 PolarHBondContact O-N 3.37Å; I276-V278 PolarHBondContact O-N 3.21Å; I276-P689 VanDerWaalsContact C-OXT 3.29Å; I276-P689 HydrophobicContact CB-CB 3.89Å; I276-P689 HydrophobicContact CB-CG 4.16Å; I276-P689 HydrophobicContact CD1-CB 4.46Å; I276-P689 HydrophobicContact CG1-CB 4.14Å; I276-P689 PolarHBondContact N-OXT 2.68Å; I276-P689 CarbonylContact O-C 3.55Å
277S40.5Very low62.7Low97 Ų9796.5 Ų96.568%0.67853%0.527SS*.  trans-10.998179.862.30000112.7D275 P279D275-S277 PolarHBondContact O-N 2.69Å; S277-P279 WeakPolarHBondContact O-CD 3.27Å
278V53Low63.8Low92 Ų9294.3 Ų94.356%0.55850%0.5SS*.  trans-36.1114.7-176.9-177.70000110.7I276 A688 P689I276-V278 PolarHBondContact O-N 3.21Å; V278-A688 HydrophobicContact CG2-CB 4.07Å; V278-P689 WeakPolarHBondContact CG2-O 3.42Å; V278-P689 PolarHBondContact N-O 2.7Å
279P59.3Low65.1Low101 Ų10195.6 Ų95.666%0.65651%0.514SS*.PPolyproline II helixtrans-58.1129.2172.2-22.833.1000108.6S277S277-P279 WeakPolarHBondContact O-CD 3.27Å
280P71.6Confident67.3Low102 Ų10291.3 Ų91.366%0.66250%0.497SS*.PPolyproline II helixtrans-57.5144.4178.824.5-33.8000109.6A282P280-A282 PolarHBondContact O-N 3.21Å
281S83.2Confident69.4Low34 Ų3484.7 Ų84.724%0.23846%0.462CS..PPolyproline II helixtrans-60.7132.9-179.7-78.30000109.5F283 E284S281-F283 PolarHBondContact O-N 2.91Å; S281-E284 VanDerWaalsContact O-CB 3.31Å; S281-E284 WeakPolarHBondContact O-CB 3.47Å; S281-E284 PolarHBondContact O-N 3.38Å
282A86.4Confident71.5Confident51 Ų5180.9 Ų80.942%0.42145%0.449SS..THydrogen-bonded Turntrans-50.4-35.4-17000000113.4P280 C312P280-A282 PolarHBondContact O-N 3.21Å; A282-C312 PolarHBondContact N-O 3.07Å
283F89.5Confident73.9Confident16 Ų1678.1 Ų78.17%0.0743%0.433CS..THydrogen-bonded Turntrans-118.432.9177.1-56.9-56.8000114.2S281 K285 Y286 V310 V311 L349 P361 A362 I363S281-F283 PolarHBondContact O-N 2.91Å; F283-K285 PolarHBondContact O-N 3.49Å; F283-Y286 HydrophobicContact CB-CD2 3.83Å; F283-Y286 HydrophobicContact CB-CG 4.32Å; F283-Y286 AromaticContact CD1-CD2 3.85Å; F283-Y286 HydrophobicContact CD1-CD2 3.85Å; F283-Y286 AromaticContact CD1-CE2 3.95Å; F283-Y286 HydrophobicContact CD1-CE2 3.95Å; F283-Y286 HydrophobicContact CG-CD2 4.28Å; F283-Y286 WeakPolarHBondContact O-CA 3.31Å; F283-Y286 WeakPolarHBondContact O-CB 3.3Å; F283-Y286 PolarHBondContact O-N 3.35Å; F283-V310 WeakPolarHBondContact CD2-O 3.4Å; F283-V310 VanDerWaalsContact CE2-O 3.29Å; F283-V310 WeakPolarHBondContact CE2-O 3.15Å; F283-V311 PolarHBondContact N-O 3.09Å; F283-L349 HydrophobicContact CB-CD2 3.71Å; F283-L349 HydrophobicContact CD1-CD1 4.43Å; F283-L349 HydrophobicContact CD2-CD1 3.65Å; F283-L349 HydrophobicContact CD2-CD2 3.85Å; F283-L349 HydrophobicContact CD2-CG 4.43Å; F283-L349 HydrophobicContact CE2-CD1 3.72Å; F283-L349 HydrophobicContact CG-CD1 4.02Å; F283-L349 HydrophobicContact CG-CD2 3.9Å; F283-L349 HydrophobicContact CZ-CD1 4.17Å; F283-P361 HydrophobicContact CD1-CB 4.01Å; F283-P361 HydrophobicContact CE1-CB 3.71Å; F283-P361 HydrophobicContact CZ-CB 4.31Å; F283-A362 WeakPolarHBondContact CZ-O 3.47Å; F283-I363 HydrophobicContact CE2-CD1 4.11Å; F283-I363 HydrophobicContact CE2-CG1 4.09Å; F283-I363 HydrophobicContact CZ-CD1 4.14Å; F283-I363 HydrophobicContact CZ-CG1 4.36Å
284E88.6Confident76.1Confident102 Ų10274.6 Ų74.648%0.47742%0.417SS..G310 helixtrans-52.8-37.6176.5177.9165.3-168.600113.3S281 Y286 V287 L292S281-E284 VanDerWaalsContact O-CB 3.31Å; S281-E284 WeakPolarHBondContact O-CB 3.47Å; S281-E284 PolarHBondContact O-N 3.38Å; E284-Y286 PolarHBondContact O-N 3.03Å; E284-Y286 VanDerWaalsContact O-N 3.12Å; E284-V287 VanDerWaalsContact O-O 3.12Å; E284-L292 HydrophobicContact CB-CD1 4.14Å; E284-L292 HydrophobicContact CG-CD1 3.84Å
285K88.2Confident78.6Confident192 Ų19269.9 Ų69.984%0.83539%0.389SS*.G310 helixtrans-65.1-12.7174.9-58.8176.9-173.6170.80114.2F283F283-K285 PolarHBondContact O-N 3.49Å
286Y87.9Confident81.1Confident30 Ų3066.7 Ų66.712%0.11837%0.366CS..G310 helixtrans-109.6-6.5-171.9-62.4-94.5000113.6F283 E284 K353 D359 P361F283-Y286 HydrophobicContact CB-CD2 3.83Å; F283-Y286 HydrophobicContact CB-CG 4.32Å; F283-Y286 AromaticContact CD1-CD2 3.85Å; F283-Y286 HydrophobicContact CD1-CD2 3.85Å; F283-Y286 AromaticContact CD1-CE2 3.95Å; F283-Y286 HydrophobicContact CD1-CE2 3.95Å; F283-Y286 HydrophobicContact CG-CD2 4.28Å; F283-Y286 WeakPolarHBondContact O-CA 3.31Å; F283-Y286 WeakPolarHBondContact O-CB 3.3Å; F283-Y286 PolarHBondContact O-N 3.35Å; E284-Y286 PolarHBondContact O-N 3.03Å; E284-Y286 VanDerWaalsContact O-N 3.12Å; Y286-K353 VanDerWaalsContact CB-NZ 3.26Å; Y286-K353 WeakPolarHBondContact O-CE 3.42Å; Y286-K353 PolarHBondContact O-NZ 3.44Å; Y286-D359 PolarHBondContact OH-O 2.9Å; Y286-D359 PolarHBondContact OH-OD2 2.88Å; Y286-P361 HydrophobicContact CD1-CB 4.43Å; Y286-P361 HydrophobicContact CD1-CG 3.95Å; Y286-P361 HydrophobicContact CE1-CB 4.07Å; Y286-P361 HydrophobicContact CE1-CG 3.62Å; Y286-P361 HydrophobicContact CE2-CB 4.44Å
287V89.8Confident83.5Confident20 Ų2067.5 Ų67.512%0.12137%0.368CS..SBendtrans-139.6157.8-178.1-70.20000110.8E284 I291 L292 V311 L394E284-V287 VanDerWaalsContact O-O 3.12Å; V287-I291 HydrophobicContact CB-CB 4.15Å; V287-I291 HydrophobicContact CB-CG2 3.86Å; V287-I291 HydrophobicContact CG1-CG2 3.99Å; V287-I291 HydrophobicContact CG2-CG2 4.43Å; V287-L292 HydrophobicContact CG2-CD1 4.25Å; V287-L292 HydrophobicContact CG2-CD2 3.49Å; V287-L292 VanDerWaalsContact CG2-CD2 3.49Å; V287-L292 HydrophobicContact CG2-CG 3.59Å; V287-V311 HydrophobicContact CB-CG1 4.41Å; V287-V311 HydrophobicContact CG1-CG1 4.02Å; V287-V311 HydrophobicContact CG2-CG1 3.62Å; V287-L394 HydrophobicContact CG1-CD2 4.3Å
288S90.9Very high85.9Confident23 Ų2365.4 Ų65.416%0.16135%0.347CS..  trans-68.4153.1174.663.10000111.6E290 I291 L292 D395S288-E290 PolarHBondContact O-N 2.88Å; S288-I291 PolarHBondContact O-N 3.46Å; S288-I291 VanDerWaalsContact OG-CD1 3.3Å; S288-I291 WeakPolarHBondContact OG-CD1 3.35Å; S288-I291 VanDerWaalsContact OG-CG1 3.23Å; S288-I291 WeakPolarHBondContact OG-CG1 3.23Å; S288-I291 PolarHBondContact OG-N 3.29Å; S288-I291 VanDerWaalsContact OG-N 3.16Å; S288-L292 PolarHBondContact O-N 3.02Å; S288-D395 WeakPolarHBondContact CB-OD1 3.17Å; S288-D395 PolarHBondContact OG-OD1 3.44Å
289P90.9Very high87.8Confident91 Ų9161.7 Ų61.759%0.59132%0.323SS*.Hα-helixtrans-54.3-34170.6-26.535.8000112.8L292 K293P289-L292 PolarHBondContact O-N 3.21Å; P289-K293 WeakPolarHBondContact O-CB 3.45Å; P289-K293 PolarHBondContact O-N 3.45Å
290E92.8Very high89.4Confident115 Ų11557.7 Ų57.754%0.53730%0.297SS..Hα-helixtrans-63-43.1175.1-68.965.5-14800111.7S288 A294 F399S288-E290 PolarHBondContact O-N 2.88Å; E290-A294 VanDerWaalsContact O-CB 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.49Å; E290-A294 PolarHBondContact O-N 2.9Å; E290-F399 HydrophobicContact CB-CE2 3.87Å; E290-F399 HydrophobicContact CB-CZ 4.03Å
291I92.4Very high90.3Very high1 Ų153.1 Ų53.11%0.00527%0.268CS..Hα-helixtrans-65.7-44.2174.6-72.2163.1000110.8V287 S288 K293 A294 C295 L394 D395 W398 F399V287-I291 HydrophobicContact CB-CB 4.15Å; V287-I291 HydrophobicContact CB-CG2 3.86Å; V287-I291 HydrophobicContact CG1-CG2 3.99Å; V287-I291 HydrophobicContact CG2-CG2 4.43Å; S288-I291 PolarHBondContact O-N 3.46Å; S288-I291 VanDerWaalsContact OG-CD1 3.3Å; S288-I291 WeakPolarHBondContact OG-CD1 3.35Å; S288-I291 VanDerWaalsContact OG-CG1 3.23Å; S288-I291 WeakPolarHBondContact OG-CG1 3.23Å; S288-I291 PolarHBondContact OG-N 3.29Å; S288-I291 VanDerWaalsContact OG-N 3.16Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 2.85Å; I291-A294 PolarHBondContact O-N 3.02Å; I291-C295 WeakPolarHBondContact O-CB 3.49Å; I291-C295 PolarHBondContact O-N 3.22Å; I291-L394 HydrophobicContact CD1-CB 3.72Å; I291-L394 HydrophobicContact CD1-CD2 3.9Å; I291-L394 HydrophobicContact CD1-CG 3.7Å; I291-L394 HydrophobicContact CG1-CG 4.48Å; I291-L394 HydrophobicContact CG2-CD2 4.16Å; I291-D395 WeakPolarHBondContact CD1-OD1 3.28Å; I291-W398 HydrophobicContact CG1-CE3 4.45Å; I291-W398 HydrophobicContact CG2-CE3 4.41Å; I291-W398 HydrophobicContact CG2-CH2 4.38Å; I291-W398 HydrophobicContact CG2-CZ3 4.05Å; I291-F399 HydrophobicContact CG1-CE2 3.8Å; I291-F399 HydrophobicContact CG1-CZ 4.06Å
292L92Very high90.7Very high22 Ų2251.8 Ų51.812%0.11526%0.258CS..Hα-helixtrans-58.3-46.7176.4-70.1171000111.7E284 V287 S288 P289 C295 R296 V311E284-L292 HydrophobicContact CB-CD1 4.14Å; E284-L292 HydrophobicContact CG-CD1 3.84Å; V287-L292 HydrophobicContact CG2-CD1 4.25Å; V287-L292 HydrophobicContact CG2-CD2 3.49Å; V287-L292 VanDerWaalsContact CG2-CD2 3.49Å; V287-L292 HydrophobicContact CG2-CG 3.59Å; S288-L292 PolarHBondContact O-N 3.02Å; P289-L292 PolarHBondContact O-N 3.21Å; L292-C295 WeakPolarHBondContact O-CB 3.37Å; L292-C295 PolarHBondContact O-N 3.07Å; L292-R296 PolarHBondContact O-N 3.41Å; L292-V311 HydrophobicContact CD2-CG1 3.8Å
293K90.8Very high90.9Very high129 Ų12952.5 Ų52.556%0.56125%0.253SS*.Hα-helixtrans-61.1-52.7176.9-179.8177.9173.1-179.40111.6P289 I291 C295 R296 E297P289-K293 WeakPolarHBondContact O-CB 3.45Å; P289-K293 PolarHBondContact O-N 3.45Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 2.85Å; K293-C295 VanDerWaalsContact C-N 3.27Å; K293-C295 PolarHBondContact O-N 3.33Å; K293-R296 PolarHBondContact O-N 3.19Å; K293-E297 WeakPolarHBondContact CE-OE1 3.18Å; K293-E297 HydrophobicContact CG-CG 4.44Å; K293-E297 IonicContact NZ-OE1 3.48Å; K293-E297 WeakPolarHBondContact O-CB 3.26Å; K293-E297 WeakPolarHBondContact O-CG 3.39Å; K293-E297 PolarHBondContact O-N 3.14Å
294A91.9Very high90.6Very high14 Ų1452 Ų5212%0.11625%0.252CS..Hα-helixtrans-62.4-34.7179.800000112.4E290 I291 K298 W398 F399E290-A294 VanDerWaalsContact O-CB 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.49Å; E290-A294 PolarHBondContact O-N 2.9Å; I291-A294 PolarHBondContact O-N 3.02Å; A294-K298 WeakPolarHBondContact O-CB 3.46Å; A294-K298 VanDerWaalsContact O-CG 3.29Å; A294-K298 WeakPolarHBondContact O-CG 3.39Å; A294-K298 PolarHBondContact O-N 3.32Å; A294-W398 HydrophobicContact CB-CE3 4.3Å; A294-W398 HydrophobicContact CB-CZ3 4.25Å; A294-F399 HydrophobicContact CB-CE1 3.84Å; A294-F399 HydrophobicContact CB-CZ 3.98Å
295C91.5Very high90.7Very high2 Ų249.6 Ų49.61%0.01424%0.24CC..Hα-helixtrans-63.9-49.5174.7-1740000111.3I291 L292 K293 K298 H299 Y308 W398I291-C295 WeakPolarHBondContact O-CB 3.49Å; I291-C295 PolarHBondContact O-N 3.22Å; L292-C295 WeakPolarHBondContact O-CB 3.37Å; L292-C295 PolarHBondContact O-N 3.07Å; K293-C295 VanDerWaalsContact C-N 3.27Å; K293-C295 PolarHBondContact O-N 3.33Å; C295-K298 PolarHBondContact O-N 3.5Å; C295-H299 WeakPolarHBondContact O-CB 3.02Å; C295-H299 PolarHBondContact O-N 2.96Å; C295-Y308 WeakPolarHBondContact SG-CA 3.41Å; C295-Y308 PolarHBondContact SG-N 3.21Å; C295-W398 HydrophobicContact CB-CH2 4.38Å; C295-W398 HydrophobicContact CB-CZ3 4.34Å
296R90.6Very high90.8Very high74 Ų7441.4 Ų41.428%0.27921%0.205SC..Hα-helixtrans-62.4-46.1176.7-168.2-177.4-170.3-77.95.4111.8V111 L292 K293 H299 V300 Y308V111-R296 HydrophobicContact CG1-CG 4.48Å; L292-R296 PolarHBondContact O-N 3.41Å; K293-R296 PolarHBondContact O-N 3.19Å; R296-H299 PolarHBondContact O-N 3.47Å; R296-V300 VanDerWaalsContact O-CB 3.27Å; R296-V300 WeakPolarHBondContact O-CB 3.38Å; R296-V300 VanDerWaalsContact O-CG2 3.32Å; R296-V300 WeakPolarHBondContact O-CG2 3.47Å; R296-V300 PolarHBondContact O-N 2.78Å; R296-Y308 HydrophobicContact CB-CD2 4.5Å; R296-Y308 HydrophobicContact CB-CE2 4.42Å; R296-Y308 HydrophobicContact CG-CE2 4.17Å
297E91.3Very high91.1Very high109 Ų10940.2 Ų40.251%0.50920%0.201SC..Hα-helixtrans-60.5-44.6178.1-73.3175.1172.100112K293 A301K293-E297 WeakPolarHBondContact CE-OE1 3.18Å; K293-E297 HydrophobicContact CG-CG 4.44Å; K293-E297 IonicContact NZ-OE1 3.48Å; K293-E297 WeakPolarHBondContact O-CB 3.26Å; K293-E297 WeakPolarHBondContact O-CG 3.39Å; K293-E297 PolarHBondContact O-N 3.14Å; E297-A301 WeakPolarHBondContact O-CB 3.24Å; E297-A301 PolarHBondContact O-N 2.9Å
298K91.9Very high91.3Very high54 Ų5440.9 Ų40.924%0.23520%0.202CC..Hα-helixtrans-68.2-37.4176-75.7178.7178.4-179.90113A294 C295 A302 E303 G304A294-K298 WeakPolarHBondContact O-CB 3.46Å; A294-K298 VanDerWaalsContact O-CG 3.29Å; A294-K298 WeakPolarHBondContact O-CG 3.39Å; A294-K298 PolarHBondContact O-N 3.32Å; C295-K298 PolarHBondContact O-N 3.5Å; K298-A302 PolarHBondContact O-N 3.41Å; K298-E303 HydrophobicContact CB-CB 4.25Å; K298-E303 WeakPolarHBondContact O-CA 3.48Å; K298-E303 VanDerWaalsContact O-CB 3.27Å; K298-E303 WeakPolarHBondContact O-CB 3.47Å; K298-E303 PolarHBondContact O-N 2.71Å; K298-G304 PolarHBondContact O-N 3.13Å
299H92.8Very high91.4Very high14 Ų1440.7 Ų40.77%0.06520%0.201CC..Hα-helixtrans-63.9-52.7175172.981.5000110.6C109 S110 C295 R296 A301 A302 Y308C109-H299 VanDerWaalsContact CB-O 3.31Å; C109-H299 WeakPolarHBondContact CB-O 3.49Å; S110-H299 PolarHBondContact O-NE2 2.82Å; C295-H299 WeakPolarHBondContact O-CB 3.02Å; C295-H299 PolarHBondContact O-N 2.96Å; R296-H299 PolarHBondContact O-N 3.47Å; H299-A301 VanDerWaalsContact C-N 3.26Å; H299-A301 PolarHBondContact O-N 3.15Å; H299-A302 WeakPolarHBondContact O-CA 3.27Å; H299-A302 PolarHBondContact O-N 3.02Å; H299-Y308 VanDerWaalsContact CB-CB 3.47Å; H299-Y308 HydrophobicContact CB-CD1 4.41Å; H299-Y308 HydrophobicContact CB-CD2 4.11Å; H299-Y308 HydrophobicContact CB-CG 3.76Å; H299-Y308 AromaticContact CD2-CD1 3.82Å; H299-Y308 AromaticContact CD2-CG 3.98Å; H299-Y308 AromaticContact CE1-CD1 3.82Å; H299-Y308 AromaticContact CG-CD1 3.71Å; H299-Y308 AromaticContact CG-CG 3.57Å; H299-Y308 AromaticContact ND1-CD1 3.74Å; H299-Y308 AromaticContact ND1-CG 3.89Å; H299-Y308 AromaticContact NE2-CD1 3.87Å
300V91.4Very high91.6Very high17 Ų1736.4 Ų36.410%0.10317%0.172CC..Hα-helixtrans-46.8-48.7173.41490000111.9F108 C109 V111 R296 A302 H685F108-V300 CarbonylContact C-O 3.52Å; F108-V300 WeakPolarHBondContact CA-O 3.49Å; F108-V300 HydrophobicContact CD1-CG1 4.47Å; C109-V300 PolarHBondContact N-O 2.92Å; V111-V300 HydrophobicContact CG1-CG2 3.94Å; R296-V300 VanDerWaalsContact O-CB 3.27Å; R296-V300 WeakPolarHBondContact O-CB 3.38Å; R296-V300 VanDerWaalsContact O-CG2 3.32Å; R296-V300 WeakPolarHBondContact O-CG2 3.47Å; R296-V300 PolarHBondContact O-N 2.78Å; V300-A302 PolarHBondContact O-N 2.8Å; V300-A302 VanDerWaalsContact O-N 3.12Å; V300-H685 WeakPolarHBondContact CG1-NE2 3.44Å; V300-H685 VanDerWaalsContact CG2-NE2 3.27Å; V300-H685 WeakPolarHBondContact CG2-NE2 3.39Å
301A90.9Very high91.6Very high6 Ų630.9 Ų30.95%0.0515%0.147CC..THydrogen-bonded Turntrans-73.33.2-179.600000114.4R101 E297 H299 E303 A680R101-A301 WeakPolarHBondContact CD-O 3.46Å; R101-A301 PolarHBondContact NH1-O 2.81Å; E297-A301 WeakPolarHBondContact O-CB 3.24Å; E297-A301 PolarHBondContact O-N 2.9Å; H299-A301 VanDerWaalsContact C-N 3.26Å; H299-A301 PolarHBondContact O-N 3.15Å; A301-E303 VanDerWaalsContact C-N 3.29Å; A301-E303 HydrophobicContact CB-CB 4.32Å; A301-E303 PolarHBondContact O-N 3.39Å; A301-A680 HydrophobicContact CB-CB 4.29Å
302A92.4Very high91.5Very high5 Ų531.6 Ų31.64%0.04115%0.151CC..THydrogen-bonded Turntrans56.539.7-170.600000113.7P97 V107 C109 K298 H299 V300P97-A302 HydrophobicContact CB-CB 3.81Å; V107-A302 HydrophobicContact CB-CB 4.46Å; V107-A302 HydrophobicContact CG1-CB 3.94Å; C109-A302 WeakPolarHBondContact SG-CB 3.45Å; K298-A302 PolarHBondContact O-N 3.41Å; H299-A302 WeakPolarHBondContact O-CA 3.27Å; H299-A302 PolarHBondContact O-N 3.02Å; V300-A302 PolarHBondContact O-N 2.8Å; V300-A302 VanDerWaalsContact O-N 3.12Å
303E89.7Confident91.5Very high66 Ų6632.1 Ų32.131%0.30816%0.159SC..  trans-111-39.3-176-138.1162.7-95.600111.4R101 K298 A301 F305 N504R101-E303 IonicContact CZ-OE1 2.84Å; R101-E303 VanDerWaalsContact NH1-CG 3.33Å; R101-E303 IonicContact NH1-OE1 3.26Å; R101-E303 PolarHBondContact NH1-OE1 3.47Å; R101-E303 IonicContact NH2-OE1 3.64Å; R101-E303 PolarHBondContact NH2-OE1 3.2Å; K298-E303 HydrophobicContact CB-CB 4.25Å; K298-E303 WeakPolarHBondContact O-CA 3.48Å; K298-E303 VanDerWaalsContact O-CB 3.27Å; K298-E303 WeakPolarHBondContact O-CB 3.47Å; K298-E303 PolarHBondContact O-N 2.71Å; A301-E303 VanDerWaalsContact C-N 3.29Å; A301-E303 HydrophobicContact CB-CB 4.32Å; A301-E303 PolarHBondContact O-N 3.39Å; E303-F305 PolarHBondContact O-N 3.33Å; E303-N504 PolarHBondContact O-ND2 3.03Å; E303-N504 VanDerWaalsContact O-ND2 3.11Å
304G84.1Confident91.6Very high5 Ų526.3 Ų26.35%0.05214%0.136CC..SBendtrans-96.651-169.900000115.9K298 M306 V307K298-G304 PolarHBondContact O-N 3.13Å; G304-M306 PolarHBondContact O-N 3.18Å; G304-V307 PolarHBondContact O-N 3.05Å
305F89.8Confident91.7Very high52 Ų5226 Ų2623%0.22813%0.133CC..THydrogen-bonded Turntrans-44.4133.7179.2177.7-108.2000113.4T94 F98 E303 V307 S497 L500 N504T94-F305 HydrophobicContact CG2-CD1 4.28Å; T94-F305 HydrophobicContact CG2-CD2 3.66Å; T94-F305 HydrophobicContact CG2-CE1 4.09Å; T94-F305 HydrophobicContact CG2-CE2 3.44Å; T94-F305 VanDerWaalsContact CG2-CE2 3.44Å; T94-F305 HydrophobicContact CG2-CG 4.08Å; T94-F305 HydrophobicContact CG2-CZ 3.67Å; F98-F305 HydrophobicContact CE2-CB 4.44Å; F98-F305 HydrophobicContact CZ-CB 4.26Å; E303-F305 PolarHBondContact O-N 3.33Å; F305-V307 PolarHBondContact O-N 3.3Å; F305-S497 WeakPolarHBondContact CD1-O 3.38Å; F305-S497 WeakPolarHBondContact CE1-O 3.43Å; F305-L500 HydrophobicContact CB-CD2 4Å; F305-L500 HydrophobicContact CB-CG 4.19Å; F305-L500 HydrophobicContact CD1-CB 4.41Å; F305-L500 HydrophobicContact CD1-CD2 4.27Å; F305-L500 HydrophobicContact CD1-CG 4.35Å; F305-L500 HydrophobicContact CG-CD2 4.25Å; F305-N504 PolarHBondContact N-ND2 2.88Å
306M90.5Very high91.8Very high20 Ų2026.1 Ų26.110%0.09913%0.133CC..THydrogen-bonded Turntrans65.1-30.2-178.7-167.5-176.5-68.600116.6G304 Y308 S309 V310 T316G304-M306 PolarHBondContact O-N 3.18Å; M306-Y308 PolarHBondContact O-N 3.37Å; M306-S309 WeakPolarHBondContact O-CB 3.43Å; M306-S309 PolarHBondContact O-N 2.74Å; M306-V310 HydrophobicContact CG-CG2 4.12Å; M306-V310 WeakPolarHBondContact O-CG2 3.3Å; M306-V310 PolarHBondContact O-N 2.86Å; M306-V310 VanDerWaalsContact O-N 3.08Å; M306-T316 HydrophobicContact CG-CG2 4.33Å
307V94.6Very high91.9Very high5 Ų524.8 Ų24.83%0.0313%0.13CC..Hα-helixtrans-65.3-38.8-168.7-171.40000113G304 F305 V310 V311 L348 W398 N504 A505G304-V307 PolarHBondContact O-N 3.05Å; F305-V307 PolarHBondContact O-N 3.3Å; V307-V310 PolarHBondContact O-N 2.98Å; V307-V311 HydrophobicContact CG1-CG2 4.08Å; V307-V311 WeakPolarHBondContact O-CG2 3.35Å; V307-V311 PolarHBondContact O-N 3.19Å; V307-L348 HydrophobicContact CG1-CD1 3.97Å; V307-L348 HydrophobicContact CG1-CD2 3.7Å; V307-W398 HydrophobicContact CG1-CH2 3.73Å; V307-W398 HydrophobicContact CG1-CZ2 3.91Å; V307-N504 HydrophobicContact CG2-CB 3.71Å; V307-A505 HydrophobicContact CG2-CB 4.5Å
308Y93.7Very high92.1Very high34 Ų3420.1 Ų20.113%0.13311%0.109CC..Hα-helixtrans-67.5-40.5175.6174.6-92.2000112.9V47 V111 C295 R296 H299 M306 V310 C312 A313V47-Y308 HydrophobicContact CG2-CD1 4.23Å; V47-Y308 HydrophobicContact CG2-CE1 4.3Å; V111-Y308 HydrophobicContact CG1-CE2 4.38Å; C295-Y308 WeakPolarHBondContact SG-CA 3.41Å; C295-Y308 PolarHBondContact SG-N 3.21Å; R296-Y308 HydrophobicContact CB-CD2 4.5Å; R296-Y308 HydrophobicContact CB-CE2 4.42Å; R296-Y308 HydrophobicContact CG-CE2 4.17Å; H299-Y308 VanDerWaalsContact CB-CB 3.47Å; H299-Y308 HydrophobicContact CB-CD1 4.41Å; H299-Y308 HydrophobicContact CB-CD2 4.11Å; H299-Y308 HydrophobicContact CB-CG 3.76Å; H299-Y308 AromaticContact CD2-CD1 3.82Å; H299-Y308 AromaticContact CD2-CG 3.98Å; H299-Y308 AromaticContact CE1-CD1 3.82Å; H299-Y308 AromaticContact CG-CD1 3.71Å; H299-Y308 AromaticContact CG-CG 3.57Å; H299-Y308 AromaticContact ND1-CD1 3.74Å; H299-Y308 AromaticContact ND1-CG 3.89Å; H299-Y308 AromaticContact NE2-CD1 3.87Å; M306-Y308 PolarHBondContact O-N 3.37Å; Y308-V310 PolarHBondContact O-N 3.01Å; Y308-C312 HydrophobicContact CD2-CB 3.53Å; Y308-C312 VanDerWaalsContact CD2-SG 3.57Å; Y308-C312 HydrophobicContact CE2-CB 3.47Å; Y308-C312 VanDerWaalsContact CE2-CB 3.47Å; Y308-C312 HydrophobicContact CG-CB 4.12Å; Y308-C312 WeakPolarHBondContact O-CA 3.42Å; Y308-C312 WeakPolarHBondContact O-CB 3.34Å; Y308-C312 PolarHBondContact O-N 3.42Å; Y308-A313 PolarHBondContact O-N 3.34Å; Y308-A313 VanDerWaalsContact O-N 3.17Å
309S93Very high92.1Very high20 Ų2019 Ų1914%0.1411%0.109CC..Iπ-helixtrans-56.7-40.9173.7-44.50000111.2M306 A313 G314 V315M306-S309 WeakPolarHBondContact O-CB 3.43Å; M306-S309 PolarHBondContact O-N 2.74Å; S309-A313 CarbonylContact O-C 3.57Å; S309-A313 WeakPolarHBondContact O-CB 3.49Å; S309-G314 PolarHBondContact O-N 3.04Å; S309-V315 CarbonylContact C-O 3.47Å; S309-V315 VanDerWaalsContact CB-O 3.29Å; S309-V315 WeakPolarHBondContact CB-O 3.44Å; S309-V315 PolarHBondContact O-N 3.4Å; S309-V315 VanDerWaalsContact O-N 3.1Å
310V94.8Very high92.1Very high0 Ų019 Ų190%011%0.109CC..Iπ-helixtrans-69.9-64.2174.4178.70000111.6F283 M306 V307 Y308 G314 T316 Y345 L348 L349 I363F283-V310 WeakPolarHBondContact CD2-O 3.4Å; F283-V310 VanDerWaalsContact CE2-O 3.29Å; F283-V310 WeakPolarHBondContact CE2-O 3.15Å; M306-V310 HydrophobicContact CG-CG2 4.12Å; M306-V310 WeakPolarHBondContact O-CG2 3.3Å; M306-V310 PolarHBondContact O-N 2.86Å; M306-V310 VanDerWaalsContact O-N 3.08Å; V307-V310 PolarHBondContact O-N 2.98Å; Y308-V310 PolarHBondContact O-N 3.01Å; V310-G314 WeakPolarHBondContact O-CA 3.47Å; V310-G314 PolarHBondContact O-N 3.45Å; V310-G314 VanDerWaalsContact O-N 3.15Å; V310-T316 HydrophobicContact CG2-CG2 3.66Å; V310-Y345 HydrophobicContact CB-CD1 4.42Å; V310-Y345 HydrophobicContact CB-CE1 4.46Å; V310-Y345 HydrophobicContact CG1-CD1 3.78Å; V310-Y345 HydrophobicContact CG1-CE1 4.26Å; V310-Y345 HydrophobicContact CG2-CD1 3.67Å; V310-Y345 HydrophobicContact CG2-CE1 3.34Å; V310-L348 HydrophobicContact CB-CD1 4.11Å; V310-L348 HydrophobicContact CG1-CD1 3.88Å; V310-L348 HydrophobicContact CG2-CD1 4.48Å; V310-L349 HydrophobicContact CG1-CD1 4.39Å; V310-I363 HydrophobicContact CG1-CG1 4.22Å
311V93.4Very high92.3Very high0 Ų018.4 Ų18.40%011%0.106CC..Iπ-helixtrans-75.5-42.3-164.6-179.30000112.6F283 V287 L292 V307 L348F283-V311 PolarHBondContact N-O 3.09Å; V287-V311 HydrophobicContact CB-CG1 4.41Å; V287-V311 HydrophobicContact CG1-CG1 4.02Å; V287-V311 HydrophobicContact CG2-CG1 3.62Å; L292-V311 HydrophobicContact CD2-CG1 3.8Å; V307-V311 HydrophobicContact CG1-CG2 4.08Å; V307-V311 WeakPolarHBondContact O-CG2 3.35Å; V307-V311 PolarHBondContact O-N 3.19Å; V311-L348 HydrophobicContact CG2-CB 4.28Å; V311-L348 HydrophobicContact CG2-CD1 4.21Å; V311-L348 HydrophobicContact CG2-CD2 4.31Å
312C91.4Very high92.5Very high15 Ų1518.2 Ų18.210%0.10110%0.104CC..Iπ-helixtrans-91.8-41.5-174.6-640000112.2A282 Y308A282-C312 PolarHBondContact N-O 3.07Å; Y308-C312 HydrophobicContact CD2-CB 3.53Å; Y308-C312 VanDerWaalsContact CD2-SG 3.57Å; Y308-C312 HydrophobicContact CE2-CB 3.47Å; Y308-C312 VanDerWaalsContact CE2-CB 3.47Å; Y308-C312 HydrophobicContact CG-CB 4.12Å; Y308-C312 WeakPolarHBondContact O-CA 3.42Å; Y308-C312 WeakPolarHBondContact O-CB 3.34Å; Y308-C312 PolarHBondContact O-N 3.42Å
313A90.1Very high92.7Very high34 Ų3419 Ų1928%0.28111%0.106SC..Iπ-helixtrans-95.2-23.4-176.900000114.9V47 Y308 S309 V315V47-A313 HydrophobicContact CB-CB 4.37Å; V47-A313 HydrophobicContact CG1-CB 4.05Å; V47-A313 HydrophobicContact CG2-CB 3.89Å; Y308-A313 PolarHBondContact O-N 3.34Å; Y308-A313 VanDerWaalsContact O-N 3.17Å; S309-A313 CarbonylContact O-C 3.57Å; S309-A313 WeakPolarHBondContact O-CB 3.49Å; A313-V315 PolarHBondContact O-N 2.91Å
314G93.7Very high92.9Very high7 Ų716.3 Ų16.37%0.0729%0.094CC..SBendtrans66.114.6-175.100000114.3S309 V310 R364S309-G314 PolarHBondContact O-N 3.04Å; V310-G314 WeakPolarHBondContact O-CA 3.47Å; V310-G314 PolarHBondContact O-N 3.45Å; V310-G314 VanDerWaalsContact O-N 3.15Å; G314-R364 PolarHBondContact O-N 3.14Å
315V93.7Very high93.2Very high8 Ų821 Ų215%0.04812%0.115CC..EExtended strand (participates in β ladder)trans-136.6133.3-174.8-175.70000108.9S309 A313 R364S309-V315 CarbonylContact C-O 3.47Å; S309-V315 VanDerWaalsContact CB-O 3.29Å; S309-V315 WeakPolarHBondContact CB-O 3.44Å; S309-V315 PolarHBondContact O-N 3.4Å; S309-V315 VanDerWaalsContact O-N 3.1Å; A313-V315 PolarHBondContact O-N 2.91Å; V315-R364 CarbonylContact C-O 3.57Å; V315-R364 VanDerWaalsContact CA-O 3.3Å; V315-R364 WeakPolarHBondContact CA-O 3.34Å; V315-R364 HydrophobicContact CG1-CB 4.49Å; V315-R364 HydrophobicContact CG2-CB 4.21Å
316T94Very high93.3Very high4 Ų424.4 Ų24.43%0.02513%0.131CC..EExtended strand (participates in β ladder)trans-126.3147.3169.666.70000110.8M306 V310 Y345 I363 R364 E365 W366M306-T316 HydrophobicContact CG-CG2 4.33Å; V310-T316 HydrophobicContact CG2-CG2 3.66Å; T316-Y345 HydrophobicContact CG2-CE1 4.47Å; T316-Y345 PolarHBondContact OG1-OH 3.1Å; T316-Y345 VanDerWaalsContact OG1-OH 3.06Å; T316-I363 HydrophobicContact CG2-CG2 4.09Å; T316-R364 PolarHBondContact N-O 2.8Å; T316-E365 CarbonylContact O-C 3.46Å; T316-E365 WeakPolarHBondContact O-CA 3.46Å; T316-W366 PolarHBondContact O-N 3.23Å
317E93.6Very high93.3Very high45 Ų4524.8 Ų24.821%0.2113%0.134CC..EExtended strand (participates in β ladder)trans-128.2149.6173.849.5-96.2170.500112.1V47 V48 R53 W56 W366V47-E317 WeakPolarHBondContact CA-OE1 3.4Å; V48-E317 HydrophobicContact CG2-CG 4.37Å; V48-E317 PolarHBondContact N-OE1 2.74Å; R53-E317 IonicContact CZ-OE2 2.71Å; R53-E317 IonicContact NH1-OE2 3.56Å; R53-E317 PolarHBondContact NH1-OE2 3.36Å; R53-E317 IonicContact NH2-OE2 3.56Å; R53-E317 PolarHBondContact NH2-OE2 3.34Å; W56-E317 HydrophobicContact CH2-CB 4.26Å; W56-E317 HydrophobicContact CZ2-CB 4.03Å; W56-E317 HydrophobicContact CZ2-CG 4.49Å; E317-W366 VanDerWaalsContact CA-O 3.31Å; E317-W366 WeakPolarHBondContact CA-O 3.18Å; E317-W366 HydrophobicContact CB-CB 4.01Å; E317-W366 WeakPolarHBondContact CB-O 3.38Å
318C94.1Very high93Very high11 Ų1133.9 Ų33.97%0.07418%0.176CC..EExtended strand (participates in β ladder)trans-133.5119.4167.8-169.60000109.2Q333 W366 F367 V368C318-Q333 PolarHBondContact SG-OE1 3.42Å; C318-Q333 VanDerWaalsContact SG-OE1 3.41Å; C318-W366 PolarHBondContact N-O 2.95Å; C318-F367 HydrophobicContact CB-CD1 3.36Å; C318-F367 HydrophobicContact CB-CD2 4.03Å; C318-F367 HydrophobicContact CB-CE1 3.3Å; C318-F367 HydrophobicContact CB-CE2 3.97Å; C318-F367 HydrophobicContact CB-CG 3.73Å; C318-F367 HydrophobicContact CB-CZ 3.61Å; C318-V368 WeakPolarHBondContact O-CG2 3.27Å; C318-V368 PolarHBondContact O-N 3.37Å
319S92.5Very high92.8Very high32 Ų3235 Ų3522%0.22419%0.185CC..  trans-69.7167.5177.8-175.30000112.1R60 R494R60-S319 WeakPolarHBondContact CD-OG 3.5Å; R60-S319 VanDerWaalsContact CZ-OG 3.24Å; R60-S319 PolarHBondContact NE-OG 3.5Å; R60-S319 PolarHBondContact NH1-OG 3.49Å; S319-R494 PolarHBondContact O-NH2 3.23Å
320N93.8Very high92.8Very high13 Ų1334.9 Ų34.97%0.0718%0.182CC..  trans-42.8144.5177.8-40.674.3000113.7R60 V63 N64 I67 V368 R494R60-N320 WeakPolarHBondContact CD-OD1 3.41Å; R60-N320 PolarHBondContact O-ND2 2.98Å; V63-N320 HydrophobicContact CG1-CB 3.92Å; V63-N320 VanDerWaalsContact CG1-CG 3.5Å; N64-N320 PolarHBondContact OD1-ND2 3.39Å; I67-N320 HydrophobicContact CD1-CB 3.7Å; N320-V368 HydrophobicContact CB-CG1 4.37Å; N320-V368 WeakPolarHBondContact ND2-CG1 3.38Å; N320-R494 PolarHBondContact O-NH2 3.46Å
321S95Very high92.7Very high5 Ų539.4 Ų39.44%0.03521%0.206CC..  trans-120.7169.5163.5-31.30000109I67 E323 R494I67-S321 WeakPolarHBondContact CD1-O 3.26Å; S321-E323 VanDerWaalsContact C-N 3.3Å; S321-E323 WeakPolarHBondContact CB-OE2 3.48Å; S321-E323 PolarHBondContact N-OE2 3.37Å; S321-E323 PolarHBondContact O-N 3.08Å; S321-E323 PolarHBondContact OG-OE2 2.98Å; S321-R494 WeakPolarHBondContact OG-CG 3.32Å; S321-R494 PolarHBondContact OG-NE 2.95Å
322L95.6Very high92.8Very high2 Ų240.7 Ų40.71%0.0121%0.214CC..  trans-76.989173-62.9172.9000108.3V14 I67 I70 F71 V486 Q487 S490V14-L322 HydrophobicContact CB-CD1 4.11Å; V14-L322 HydrophobicContact CG1-CD1 4.32Å; V14-L322 WeakPolarHBondContact O-CD1 3.42Å; I67-L322 HydrophobicContact CG1-CD2 4.14Å; I67-L322 HydrophobicContact CG2-CD2 4.4Å; I70-L322 HydrophobicContact CD1-CD2 4.31Å; F71-L322 HydrophobicContact CE2-CB 4.11Å; F71-L322 HydrophobicContact CZ-CB 3.91Å; L322-V486 HydrophobicContact CB-CG1 3.85Å; L322-V486 HydrophobicContact CD1-CG1 3.84Å; L322-V486 HydrophobicContact CG-CG1 4.44Å; L322-Q487 WeakPolarHBondContact O-CA 2.88Å; L322-S490 WeakPolarHBondContact CB-OG 3.37Å; L322-S490 PolarHBondContact N-OG 3.41Å
323E95.4Very high93.1Very high20 Ų2040 Ų409%0.09321%0.21CC..  trans-119.9131.7179.5-67163.495.400107.7I67 F71 S321 P332 Q333 P370I67-E323 WeakPolarHBondContact CG2-O 3.47Å; F71-E323 WeakPolarHBondContact CE2-O 3.48Å; S321-E323 VanDerWaalsContact C-N 3.3Å; S321-E323 WeakPolarHBondContact CB-OE2 3.48Å; S321-E323 PolarHBondContact N-OE2 3.37Å; S321-E323 PolarHBondContact O-N 3.08Å; S321-E323 PolarHBondContact OG-OE2 2.98Å; E323-P332 WeakPolarHBondContact OE1-CA 3.37Å; E323-P332 WeakPolarHBondContact OE1-CB 3.19Å; E323-Q333 WeakPolarHBondContact OE1-CG 3.47Å; E323-Q333 PolarHBondContact OE1-N 2.94Å; E323-Q333 WeakPolarHBondContact OE2-CG 3.38Å; E323-P370 HydrophobicContact CB-CG 3.75Å
324D94.3Very high93.4Very high10 Ų1038.6 Ų38.65%0.05320%0.198CC..  trans-97112.7-171.6-165.6-15.1000109.3F71 K75 E326 D327 Q487F71-D324 HydrophobicContact CB-CB 4.48Å; F71-D324 HydrophobicContact CD1-CB 3.83Å; F71-D324 WeakPolarHBondContact CD1-OD2 3.39Å; F71-D324 HydrophobicContact CD2-CB 3.88Å; F71-D324 HydrophobicContact CE1-CB 3.98Å; F71-D324 HydrophobicContact CE2-CB 4.01Å; F71-D324 HydrophobicContact CG-CB 3.79Å; F71-D324 HydrophobicContact CZ-CB 4.06Å; K75-D324 WeakPolarHBondContact CE-OD2 3.5Å; K75-D324 IonicContact NZ-OD1 3.68Å; K75-D324 PolarHBondContact NZ-OD1 3.42Å; K75-D324 IonicContact NZ-OD2 2.94Å; K75-D324 PolarHBondContact NZ-OD2 3.27Å; D324-E326 PolarHBondContact O-N 2.94Å; D324-E326 VanDerWaalsContact O-N 3.11Å; D324-E326 PolarHBondContact OD1-N 2.92Å; D324-D327 HydrophobicContact CB-CB 4Å; D324-D327 PolarHBondContact O-N 3.08Å; D324-Q487 HydrophobicContact CB-CG 4.05Å
325E90.8Very high93.5Very high103 Ų10342.4 Ų42.448%0.48121%0.212SC..THydrogen-bonded Turntrans-63.3-18.8-175.1-168.3162.9-11900113.3I68 P370 G371I68-E325 WeakPolarHBondContact CD1-OE2 3.44Å; E325-P370 HydrophobicContact CB-CB 3.89Å; E325-P370 HydrophobicContact CG-CB 3.86Å; E325-G371 PolarHBondContact OE1-N 3.37Å
326E90.9Very high93.7Very high124 Ų12442.1 Ų42.158%0.57921%0.211SC*.THydrogen-bonded Turntrans-94.8-1.9177.5-51.1177.1160.500113.5K75 D324K75-E326 IonicContact NZ-OE2 2.72Å; K75-E326 PolarHBondContact NZ-OE2 3.29Å; D324-E326 PolarHBondContact O-N 2.94Å; D324-E326 VanDerWaalsContact O-N 3.11Å; D324-E326 PolarHBondContact OD1-N 2.92Å
327D90.8Very high93.9Very high29 Ų2941.9 Ų41.916%0.15521%0.209CC..  trans-98.387.4-180-169.22.9000111.9D324 D329 L330 Q487D324-D327 HydrophobicContact CB-CB 4Å; D324-D327 PolarHBondContact O-N 3.08Å; D327-D329 PolarHBondContact O-N 3.38Å; D327-D329 WeakPolarHBondContact OD1-CB 3.41Å; D327-D329 PolarHBondContact OD1-N 2.98Å; D327-L330 PolarHBondContact O-N 3.49Å; D327-Q487 PolarHBondContact OD2-NE2 3.29Å
328E87.9Confident94.1Very high195 Ų19542.5 Ų42.591%0.91121%0.211SC*.THydrogen-bonded Turntrans-66.4-12.6179.4-60.8-176.9173.900114L330E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.93Å
329D89.5Confident94.2Very high58 Ų5843.7 Ų43.731%0.3122%0.219SC..THydrogen-bonded Turntrans-69.2-28.6176.2-81.5-30.2000112.3D327 A449 R484 R576D327-D329 PolarHBondContact O-N 3.38Å; D327-D329 WeakPolarHBondContact OD1-CB 3.41Å; D327-D329 PolarHBondContact OD1-N 2.98Å; D329-A449 HydrophobicContact CB-CB 3.75Å; D329-A449 WeakPolarHBondContact O-CB 3.29Å; D329-R484 IonicContact OD2-NH1 2.93Å; D329-R576 IonicContact OD2-CZ 2.73Å; D329-R576 IonicContact OD2-NH1 3.34Å; D329-R576 PolarHBondContact OD2-NH1 2.89Å; D329-R576 IonicContact OD2-NH2 3.28Å; D329-R576 PolarHBondContact OD2-NH2 3.46Å
330L93Very high94.4Very high18 Ų1842.2 Ų42.29%0.09421%0.209CC..SBendtrans-112111.4-169.3-66.4-176.7000111.9D327 E328 V447 L450 R484 Q487 L488D327-L330 PolarHBondContact O-N 3.49Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.93Å; L330-V447 HydrophobicContact CD2-CG1 3.88Å; L330-L450 HydrophobicContact CD2-CD2 4.24Å; L330-R484 HydrophobicContact CD1-CG 4.34Å; L330-Q487 HydrophobicContact CD1-CB 3.78Å; L330-L488 HydrophobicContact CD1-CD2 4.15Å; L330-L488 HydrophobicContact CD1-CG 4.34Å; L330-L488 HydrophobicContact CD2-CD2 4.11Å
331L93.9Very high94.6Very high94 Ų9441.7 Ų41.749%0.49221%0.206SC..  trans-60.4135.1169.9-68.2177.4000110.6V336L331-V336 HydrophobicContact CB-CG2 3.71Å; L331-V336 VanDerWaalsContact O-CG2 3.26Å; L331-V336 WeakPolarHBondContact O-CG2 3.4Å
332P95.6Very high94.7Very high28 Ų2843.7 Ų43.718%0.18221%0.214CC..  trans-56.7148.6174.9-27.232.2000113.9E323 A334 F335 V336 F369E323-P332 WeakPolarHBondContact OE1-CA 3.37Å; E323-P332 WeakPolarHBondContact OE1-CB 3.19Å; P332-A334 PolarHBondContact O-N 2.94Å; P332-F335 HydrophobicContact CB-CD2 3.95Å; P332-F335 HydrophobicContact CB-CE2 4.34Å; P332-F335 HydrophobicContact CG-CD2 4.02Å; P332-F335 HydrophobicContact CG-CE2 4.2Å; P332-F335 PolarHBondContact O-N 3.11Å; P332-V336 PolarHBondContact O-N 3.28Å; P332-V336 VanDerWaalsContact O-N 3.07Å; P332-F369 HydrophobicContact CB-CB 3.6Å; P332-F369 HydrophobicContact CB-CD2 4.43Å; P332-F369 HydrophobicContact CB-CG 4.27Å; P332-F369 HydrophobicContact CG-CB 4.25Å; P332-F369 HydrophobicContact CG-CD2 4.38Å
333Q96.2Very high94.8Very high1 Ų145.7 Ų45.71%0.00522%0.222CC..Hα-helixtrans-55.2-30.8-177.565.78433.400112.9C318 E323 F335 Y337 V368 L491 R494C318-Q333 PolarHBondContact SG-OE1 3.42Å; C318-Q333 VanDerWaalsContact SG-OE1 3.41Å; E323-Q333 WeakPolarHBondContact OE1-CG 3.47Å; E323-Q333 PolarHBondContact OE1-N 2.94Å; E323-Q333 WeakPolarHBondContact OE2-CG 3.38Å; Q333-F335 VanDerWaalsContact C-N 3.3Å; Q333-F335 PolarHBondContact O-N 2.58Å; Q333-Y337 HydrophobicContact CB-CD2 4.2Å; Q333-Y337 HydrophobicContact CB-CE2 4.33Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.34Å; Q333-Y337 PolarHBondContact O-N 3.07Å; Q333-Y337 VanDerWaalsContact O-N 3.09Å; Q333-V368 PolarHBondContact NE2-O 3.27Å; Q333-L491 HydrophobicContact CB-CD1 3.87Å; Q333-R494 HydrophobicContact CB-CB 4.42Å; Q333-R494 HydrophobicContact CB-CG 4.47Å; Q333-R494 HydrophobicContact CG-CG 4.34Å
334A96.5Very high94.9Very high3 Ų345 Ų453%0.02522%0.219CC..Hα-helixtrans-57.3-43.317600000111.7P332 K338 R341 F367 F369P332-A334 PolarHBondContact O-N 2.94Å; A334-K338 WeakPolarHBondContact O-CB 3.45Å; A334-K338 PolarHBondContact O-N 2.81Å; A334-R341 PolarHBondContact O-NH1 2.73Å; A334-R341 VanDerWaalsContact O-NH1 3.1Å; A334-R341 PolarHBondContact O-NH2 2.9Å; A334-F367 HydrophobicContact CB-CB 3.82Å; A334-F367 HydrophobicContact CB-CD1 4.11Å; A334-F367 HydrophobicContact CB-CG 4.42Å; A334-F369 HydrophobicContact CB-CB 4.2Å; A334-F369 HydrophobicContact CB-CD1 3.49Å; A334-F369 VanDerWaalsContact CB-CD1 3.49Å; A334-F369 HydrophobicContact CB-CE1 4.13Å; A334-F369 HydrophobicContact CB-CG 4.1Å
335F96.8Very high95Very high87 Ų8744.5 Ų44.538%0.38222%0.216SC..Hα-helixtrans-82-46.3178.4-57.4-67.3000112P332 Q333 Y337 K338 P339 F369P332-F335 HydrophobicContact CB-CD2 3.95Å; P332-F335 HydrophobicContact CB-CE2 4.34Å; P332-F335 HydrophobicContact CG-CD2 4.02Å; P332-F335 HydrophobicContact CG-CE2 4.2Å; P332-F335 PolarHBondContact O-N 3.11Å; Q333-F335 VanDerWaalsContact C-N 3.3Å; Q333-F335 PolarHBondContact O-N 2.58Å; F335-Y337 PolarHBondContact O-N 3.21Å; F335-K338 WeakPolarHBondContact O-CB 3.47Å; F335-K338 PolarHBondContact O-N 2.79Å; F335-P339 WeakPolarHBondContact O-CD 3.29Å; F335-F369 HydrophobicContact CE1-CZ 4.4Å; F335-F369 AromaticContact CE2-CD2 3.72Å; F335-F369 HydrophobicContact CE2-CD2 3.72Å; F335-F369 HydrophobicContact CE2-CE1 4.33Å; F335-F369 AromaticContact CE2-CE2 3.51Å; F335-F369 HydrophobicContact CE2-CE2 3.51Å; F335-F369 HydrophobicContact CE2-CG 4.28Å; F335-F369 AromaticContact CE2-CZ 3.85Å; F335-F369 HydrophobicContact CE2-CZ 3.85Å; F335-F369 HydrophobicContact CZ-CD2 4.19Å; F335-F369 HydrophobicContact CZ-CE1 4.05Å; F335-F369 AromaticContact CZ-CE2 3.52Å; F335-F369 HydrophobicContact CZ-CE2 3.52Å; F335-F369 AromaticContact CZ-CZ 3.44Å; F335-F369 HydrophobicContact CZ-CZ 3.44Å; F335-F369 VanDerWaalsContact CZ-CZ 3.44Å
336V97.8Very high95.2Very high2 Ų239.6 Ų39.61%0.01219%0.194CC..Hα-helixtrans-53-42.7-179.5174.20000111.8L331 P332 Y442 Q446 V447 L491L331-V336 HydrophobicContact CB-CG2 3.71Å; L331-V336 VanDerWaalsContact O-CG2 3.26Å; L331-V336 WeakPolarHBondContact O-CG2 3.4Å; P332-V336 PolarHBondContact O-N 3.28Å; P332-V336 VanDerWaalsContact O-N 3.07Å; V336-Y442 HydrophobicContact CG1-CE1 4.41Å; V336-Y442 VanDerWaalsContact O-CE1 3.26Å; V336-Y442 WeakPolarHBondContact O-CE1 3.47Å; V336-Y442 PolarHBondContact O-OH 2.8Å; V336-Q446 HydrophobicContact CG1-CB 4.05Å; V336-V447 HydrophobicContact CG1-CG2 4.26Å; V336-V447 HydrophobicContact CG2-CG2 3.77Å; V336-L491 HydrophobicContact CB-CD1 4.24Å; V336-L491 HydrophobicContact CG1-CD1 4.21Å; V336-L491 HydrophobicContact CG2-CD1 4.28Å
337Y98.1Very high95.4Very high0 Ų033.7 Ų33.70%017%0.166CC..THydrogen-bonded Turntrans-94.82.6179.8-60.5-64.7000114.6Q333 F335 C340 R341 L439 Y442 I443 L491 R494 G495 H498Q333-Y337 HydrophobicContact CB-CD2 4.2Å; Q333-Y337 HydrophobicContact CB-CE2 4.33Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.34Å; Q333-Y337 PolarHBondContact O-N 3.07Å; Q333-Y337 VanDerWaalsContact O-N 3.09Å; F335-Y337 PolarHBondContact O-N 3.21Å; Y337-C340 WeakPolarHBondContact O-CB 3.47Å; Y337-C340 PolarHBondContact O-N 3.41Å; Y337-R341 VanDerWaalsContact C-NH1 3.27Å; Y337-R341 WeakPolarHBondContact O-CG 3.35Å; Y337-R341 PolarHBondContact O-N 3.06Å; Y337-R341 PolarHBondContact O-NH1 3.28Å; Y337-L439 HydrophobicContact CE1-CD1 3.87Å; Y337-Y442 HydrophobicContact CD1-CD1 4.12Å; Y337-Y442 AromaticContact CD1-CE1 3.55Å; Y337-Y442 HydrophobicContact CD1-CE1 3.55Å; Y337-Y442 AromaticContact CE1-CD1 3.94Å; Y337-Y442 HydrophobicContact CE1-CD1 3.94Å; Y337-Y442 AromaticContact CE1-CE1 3.82Å; Y337-Y442 HydrophobicContact CE1-CE1 3.82Å; Y337-I443 HydrophobicContact CE1-CG1 4.44Å; Y337-I443 WeakPolarHBondContact OH-CD1 3.37Å; Y337-L491 HydrophobicContact CE2-CD1 3.74Å; Y337-L491 HydrophobicContact CE2-CG 4.42Å; Y337-L491 PolarHBondContact OH-O 3.44Å; Y337-R494 HydrophobicContact CE2-CB 4.08Å; Y337-G495 WeakPolarHBondContact OH-CA 3.03Å; Y337-G495 PolarHBondContact OH-N 2.93Å; Y337-H498 WeakPolarHBondContact CB-NE2 3.47Å; Y337-H498 HydrophobicContact CD1-CB 4.34Å; Y337-H498 AromaticContact CD2-CE1 3.67Å; Y337-H498 AromaticContact CD2-ND1 3.67Å; Y337-H498 AromaticContact CG-CE1 3.69Å; Y337-H498 AromaticContact CG-CG 3.89Å; Y337-H498 AromaticContact CG-ND1 3.58Å
338K97.8Very high95.6Very high57 Ų5732.5 Ų32.525%0.24816%0.16CC..Hα-helixtrans-59.2-46.6179.2-172.8168-1781630112.3A334 F335 C340 R341 Q342A334-K338 WeakPolarHBondContact O-CB 3.45Å; A334-K338 PolarHBondContact O-N 2.81Å; F335-K338 WeakPolarHBondContact O-CB 3.47Å; F335-K338 PolarHBondContact O-N 2.79Å; K338-C340 VanDerWaalsContact C-N 3.33Å; K338-C340 PolarHBondContact O-N 3.38Å; K338-R341 PolarHBondContact O-N 3.45Å; K338-R341 VanDerWaalsContact O-N 3.14Å; K338-Q342 HydrophobicContact CG-CG 4.47Å; K338-Q342 WeakPolarHBondContact O-CG 3.46Å; K338-Q342 PolarHBondContact O-N 2.87Å
339P97.4Very high95.9Very high37 Ų3723.2 Ų23.224%0.2412%0.116CC..Hα-helixtrans-62.3-37.7177.2-26.238.5000113.4F335 Q342 R343F335-P339 WeakPolarHBondContact O-CD 3.29Å; P339-Q342 PolarHBondContact O-N 2.84Å; P339-R343 WeakPolarHBondContact O-CG 3.37Å; P339-R343 PolarHBondContact O-N 3.4Å; P339-R343 VanDerWaalsContact O-N 3.14Å
340C96.3Very high96Very high1 Ų122.5 Ų22.51%0.00711%0.112CC..Hα-helixtrans-58.8-50171.4176.30000111.4Y337 K338 Q342 R343 V344 V416 F417 Y442Y337-C340 WeakPolarHBondContact O-CB 3.47Å; Y337-C340 PolarHBondContact O-N 3.41Å; K338-C340 VanDerWaalsContact C-N 3.33Å; K338-C340 PolarHBondContact O-N 3.38Å; C340-Q342 PolarHBondContact O-N 2.86Å; C340-R343 PolarHBondContact O-N 2.98Å; C340-V344 WeakPolarHBondContact O-CG2 3.4Å; C340-V344 PolarHBondContact O-N 3.31Å; C340-V416 VanDerWaalsContact SG-CG1 3.54Å; C340-F417 WeakPolarHBondContact SG-CZ 3.42Å; C340-Y442 HydrophobicContact CB-CE1 4.49Å; C340-Y442 HydrophobicContact CB-CE2 4.11Å; C340-Y442 PolarHBondContact N-OH 2.85Å
341R97.4Very high95.8Very high2 Ų222.6 Ų22.61%0.00811%0.113CC..Hα-helixtrans-60.7-44.1178.9-68.5-167.9-53.3-82.93.9112A334 Y337 K338 R343 V344 Y345 E365 F367A334-R341 PolarHBondContact O-NH1 2.73Å; A334-R341 VanDerWaalsContact O-NH1 3.1Å; A334-R341 PolarHBondContact O-NH2 2.9Å; Y337-R341 VanDerWaalsContact C-NH1 3.27Å; Y337-R341 WeakPolarHBondContact O-CG 3.35Å; Y337-R341 PolarHBondContact O-N 3.06Å; Y337-R341 PolarHBondContact O-NH1 3.28Å; K338-R341 PolarHBondContact O-N 3.45Å; K338-R341 VanDerWaalsContact O-N 3.14Å; R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 3.35Å; R341-V344 WeakPolarHBondContact O-CB 3.44Å; R341-V344 PolarHBondContact O-N 3.19Å; R341-V344 VanDerWaalsContact O-N 3.1Å; R341-Y345 HydrophobicContact CB-CE1 4.34Å; R341-Y345 HydrophobicContact CB-CE2 4.1Å; R341-Y345 VanDerWaalsContact O-CD1 3.28Å; R341-Y345 WeakPolarHBondContact O-CD1 3.09Å; R341-Y345 WeakPolarHBondContact O-CD2 3.47Å; R341-Y345 PolarHBondContact O-N 2.96Å; R341-E365 IonicContact CZ-OE1 3.67Å; R341-E365 IonicContact CZ-OE2 2.82Å; R341-E365 VanDerWaalsContact NE-CD 3.3Å; R341-E365 IonicContact NE-OE1 2.74Å; R341-E365 PolarHBondContact NE-OE1 2.88Å; R341-E365 IonicContact NE-OE2 2.65Å; R341-E365 PolarHBondContact NE-OE2 2.98Å; R341-E365 IonicContact NH2-OE1 2.68Å; R341-E365 IonicContact NH2-OE2 2.69Å; R341-E365 PolarHBondContact NH2-OE2 3.46Å; R341-F367 VanDerWaalsContact NH1-CE1 3.33Å
342Q97.6Very high95Very high46 Ų4620.9 Ų20.922%0.21512%0.117CC..Hα-helixtrans-57.8-38.9176.2-69.1-175.6-82.600113.1K338 P339 C340 Y345 G346 V380 H381 P382 V383K338-Q342 HydrophobicContact CG-CG 4.47Å; K338-Q342 WeakPolarHBondContact O-CG 3.46Å; K338-Q342 PolarHBondContact O-N 2.87Å; P339-Q342 PolarHBondContact O-N 2.84Å; C340-Q342 PolarHBondContact O-N 2.86Å; Q342-Y345 PolarHBondContact O-N 3.42Å; Q342-G346 PolarHBondContact O-N 3.37Å; Q342-V380 HydrophobicContact CG-CG1 3.51Å; Q342-H381 WeakPolarHBondContact CG-O 3.36Å; Q342-H381 PolarHBondContact NE2-O 3.29Å; Q342-P382 WeakPolarHBondContact O-CA 3.37Å; Q342-V383 HydrophobicContact CB-CB 4.09Å; Q342-V383 HydrophobicContact CB-CG2 3.79Å; Q342-V383 HydrophobicContact CG-CG2 4.45Å; Q342-V383 PolarHBondContact O-N 3.28Å
343R97.1Very high94.2Very high45 Ų4523.8 Ų23.817%0.1713%0.127CC..Hα-helixtrans-72.5-35.8175.2-65.4166.4-169.1170.9-4112.5P339 C340 R341 Y345 G346 L347 V416 D418P339-R343 WeakPolarHBondContact O-CG 3.37Å; P339-R343 PolarHBondContact O-N 3.4Å; P339-R343 VanDerWaalsContact O-N 3.14Å; C340-R343 PolarHBondContact O-N 2.98Å; R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 3.35Å; R343-Y345 VanDerWaalsContact C-N 3.33Å; R343-G346 PolarHBondContact O-N 3.36Å; R343-L347 WeakPolarHBondContact O-CB 3.01Å; R343-L347 PolarHBondContact O-N 3.44Å; R343-V416 HydrophobicContact CB-CB 4.49Å; R343-V416 HydrophobicContact CB-CG1 4.36Å; R343-V416 HydrophobicContact CB-CG2 4.26Å; R343-V416 WeakPolarHBondContact CD-O 3.29Å; R343-V416 PolarHBondContact NH1-O 3.3Å; R343-D418 IonicContact NH2-OD2 2.62Å
344V97.4Very high92.6Very high4 Ų429.7 Ų29.72%0.02416%0.159CC..Hα-helixtrans-60.4-44.4170.4171.50000110.4C340 R341 G346 L347 L348 V416 A502 A505C340-V344 WeakPolarHBondContact O-CG2 3.4Å; C340-V344 PolarHBondContact O-N 3.31Å; R341-V344 WeakPolarHBondContact O-CB 3.44Å; R341-V344 PolarHBondContact O-N 3.19Å; R341-V344 VanDerWaalsContact O-N 3.1Å; V344-G346 VanDerWaalsContact C-N 3.35Å; V344-L347 PolarHBondContact O-N 3.27Å; V344-L348 HydrophobicContact CG1-CD1 3.93Å; V344-L348 WeakPolarHBondContact O-CG 3.42Å; V344-L348 PolarHBondContact O-N 3.34Å; V344-V416 HydrophobicContact CG2-CG1 3.67Å; V344-V416 HydrophobicContact CG2-CG2 4.37Å; V344-A502 HydrophobicContact CG2-CB 4.01Å; V344-A505 HydrophobicContact CG1-CB 3.88Å
345Y97.1Very high90.9Very high0 Ų033.9 Ų33.90%020%0.202CC..Hα-helixtrans-65.6-38.7176.9-54.2-18.7000111.3V310 T316 R341 Q342 R343 L348 L349 I363 E365 V380 P382V310-Y345 HydrophobicContact CB-CD1 4.42Å; V310-Y345 HydrophobicContact CB-CE1 4.46Å; V310-Y345 HydrophobicContact CG1-CD1 3.78Å; V310-Y345 HydrophobicContact CG1-CE1 4.26Å; V310-Y345 HydrophobicContact CG2-CD1 3.67Å; V310-Y345 HydrophobicContact CG2-CE1 3.34Å; T316-Y345 HydrophobicContact CG2-CE1 4.47Å; T316-Y345 PolarHBondContact OG1-OH 3.1Å; T316-Y345 VanDerWaalsContact OG1-OH 3.06Å; R341-Y345 HydrophobicContact CB-CE1 4.34Å; R341-Y345 HydrophobicContact CB-CE2 4.1Å; R341-Y345 VanDerWaalsContact O-CD1 3.28Å; R341-Y345 WeakPolarHBondContact O-CD1 3.09Å; R341-Y345 WeakPolarHBondContact O-CD2 3.47Å; R341-Y345 PolarHBondContact O-N 2.96Å; Q342-Y345 PolarHBondContact O-N 3.42Å; R343-Y345 VanDerWaalsContact C-N 3.33Å; Y345-L348 PolarHBondContact O-N 3.03Å; Y345-L349 VanDerWaalsContact O-CB 3.31Å; Y345-L349 WeakPolarHBondContact O-CB 3.49Å; Y345-L349 WeakPolarHBondContact O-CG 3.38Å; Y345-L349 PolarHBondContact O-N 3.36Å; Y345-I363 HydrophobicContact CD1-CD1 4.47Å; Y345-I363 HydrophobicContact CD1-CG1 4.21Å; Y345-I363 HydrophobicContact CD2-CB 4.02Å; Y345-I363 HydrophobicContact CD2-CD1 3.62Å; Y345-I363 HydrophobicContact CD2-CG1 3.7Å; Y345-I363 HydrophobicContact CE1-CG1 4.36Å; Y345-I363 HydrophobicContact CE2-CB 3.73Å; Y345-I363 HydrophobicContact CE2-CD1 4.25Å; Y345-I363 HydrophobicContact CE2-CG1 3.83Å; Y345-I363 HydrophobicContact CE2-CG2 3.92Å; Y345-I363 HydrophobicContact CG-CD1 3.75Å; Y345-I363 HydrophobicContact CG-CG1 3.9Å; Y345-E365 WeakPolarHBondContact CE2-OE1 3.34Å; Y345-E365 PolarHBondContact OH-OE1 2.96Å; Y345-V380 HydrophobicContact CD2-CG1 4.28Å; Y345-V380 HydrophobicContact CE2-CB 4.37Å; Y345-V380 HydrophobicContact CE2-CG1 3.97Å; Y345-P382 VanDerWaalsContact C-CB 3.49Å
346G95.1Very high89Confident1 Ų134.3 Ų34.31%0.0122%0.216CC..Hα-helixtrans-62.1-43.8173.500000113.1Q342 R343 V344 L348 L350 L351 V383Q342-G346 PolarHBondContact O-N 3.37Å; R343-G346 PolarHBondContact O-N 3.36Å; V344-G346 VanDerWaalsContact C-N 3.35Å; G346-L348 VanDerWaalsContact C-N 3.29Å; G346-L348 PolarHBondContact O-N 2.85Å; G346-L350 WeakPolarHBondContact O-CA 3.4Å; G346-L350 WeakPolarHBondContact O-CB 3.38Å; G346-L350 PolarHBondContact O-N 2.88Å; G346-L351 PolarHBondContact O-N 3.47Å; G346-V383 WeakPolarHBondContact CA-O 3.48Å
347L94.6Very high87.1Confident0 Ų037.3 Ų37.30%024%0.237CC..Hα-helixtrans-61.6-36.4175.3-173.867.8000112.3R343 V344 L351 I385 I387 L397 A412 V416 A505R343-L347 WeakPolarHBondContact O-CB 3.01Å; R343-L347 PolarHBondContact O-N 3.44Å; V344-L347 PolarHBondContact O-N 3.27Å; L347-L351 HydrophobicContact CD1-CD1 4.24Å; L347-L351 HydrophobicContact CD1-CD2 3.96Å; L347-L351 VanDerWaalsContact O-CB 3.29Å; L347-L351 WeakPolarHBondContact O-CB 3.24Å; L347-I385 HydrophobicContact CB-CG2 4.25Å; L347-I385 HydrophobicContact CD1-CD1 4.42Å; L347-I385 HydrophobicContact CD1-CG2 3.91Å; L347-I387 HydrophobicContact CD1-CD1 3.93Å; L347-L397 HydrophobicContact CD1-CD1 3.84Å; L347-A412 HydrophobicContact CD1-CB 4.01Å; L347-A412 HydrophobicContact CD2-CB 4.37Å; L347-V416 HydrophobicContact CD2-CG2 4.3Å; L347-A505 HydrophobicContact CD2-CB 4.02Å
348L95Very high85Confident4 Ų444.8 Ų44.82%0.02128%0.282CS..Hα-helixtrans-82.8-34-179.4-70.4170.7000114.1V307 V310 V311 V344 Y345 G346 L394 W398 A505V307-L348 HydrophobicContact CG1-CD1 3.97Å; V307-L348 HydrophobicContact CG1-CD2 3.7Å; V310-L348 HydrophobicContact CB-CD1 4.11Å; V310-L348 HydrophobicContact CG1-CD1 3.88Å; V310-L348 HydrophobicContact CG2-CD1 4.48Å; V311-L348 HydrophobicContact CG2-CB 4.28Å; V311-L348 HydrophobicContact CG2-CD1 4.21Å; V311-L348 HydrophobicContact CG2-CD2 4.31Å; V344-L348 HydrophobicContact CG1-CD1 3.93Å; V344-L348 WeakPolarHBondContact O-CG 3.42Å; V344-L348 PolarHBondContact O-N 3.34Å; Y345-L348 PolarHBondContact O-N 3.03Å; G346-L348 VanDerWaalsContact C-N 3.29Å; G346-L348 PolarHBondContact O-N 2.85Å; L348-L394 HydrophobicContact CD2-CD1 4.47Å; L348-L394 HydrophobicContact CD2-CD2 4.13Å; L348-L394 WeakPolarHBondContact O-CD2 3.38Å; L348-W398 HydrophobicContact CD2-CZ2 3.99Å; L348-A505 HydrophobicContact CD1-CB 4.15Å; L348-A505 HydrophobicContact CD2-CB 3.87Å; L348-A505 HydrophobicContact CG-CB 3.92Å
349L93.5Very high83.9Confident0 Ų046.9 Ų46.90%030%0.296CS..Hα-helixtrans-118.6-19.2-166.2-55.7179.7000114.7F283 V310 Y345 K353 P361 I363F283-L349 HydrophobicContact CB-CD2 3.71Å; F283-L349 HydrophobicContact CD1-CD1 4.43Å; F283-L349 HydrophobicContact CD2-CD1 3.65Å; F283-L349 HydrophobicContact CD2-CD2 3.85Å; F283-L349 HydrophobicContact CD2-CG 4.43Å; F283-L349 HydrophobicContact CE2-CD1 3.72Å; F283-L349 HydrophobicContact CG-CD1 4.02Å; F283-L349 HydrophobicContact CG-CD2 3.9Å; F283-L349 HydrophobicContact CZ-CD1 4.17Å; V310-L349 HydrophobicContact CG1-CD1 4.39Å; Y345-L349 VanDerWaalsContact O-CB 3.31Å; Y345-L349 WeakPolarHBondContact O-CB 3.49Å; Y345-L349 WeakPolarHBondContact O-CG 3.38Å; Y345-L349 PolarHBondContact O-N 3.36Å; L349-K353 PolarHBondContact O-NZ 2.94Å; L349-P361 HydrophobicContact CB-CG 4.14Å; L349-P361 HydrophobicContact CD1-CB 3.91Å; L349-P361 HydrophobicContact CD1-CG 4.38Å; L349-I363 HydrophobicContact CD1-CD1 3.77Å
350L91.4Very high83.1Confident42 Ų4248 Ų4822%0.2231%0.309CS..THydrogen-bonded Turntrans-115.5-14.9-176.7-54.8-177.8000113.7G346 G352 K353 P361 P382 P384G346-L350 WeakPolarHBondContact O-CA 3.4Å; G346-L350 WeakPolarHBondContact O-CB 3.38Å; G346-L350 PolarHBondContact O-N 2.88Å; L350-G352 PolarHBondContact O-N 3.36Å; L350-K353 PolarHBondContact O-N 3.2Å; L350-P361 HydrophobicContact CD2-CG 3.94Å; L350-P382 HydrophobicContact CD1-CB 3.8Å; L350-P382 HydrophobicContact CD1-CG 3.94Å; L350-P382 HydrophobicContact CD2-CG 4.22Å; L350-P382 HydrophobicContact CG-CB 4.04Å; L350-P382 HydrophobicContact CG-CG 4.03Å; L350-P384 HydrophobicContact CD1-CG 3.94Å
351L88.8Confident82.9Confident21 Ų2148.2 Ų48.211%0.1131%0.31CS..THydrogen-bonded Turntrans-63.5130.6-175.4-165.575.7000112.1G346 L347 K353 I385 I387 P392 L397G346-L351 PolarHBondContact O-N 3.47Å; L347-L351 HydrophobicContact CD1-CD1 4.24Å; L347-L351 HydrophobicContact CD1-CD2 3.96Å; L347-L351 VanDerWaalsContact O-CB 3.29Å; L347-L351 WeakPolarHBondContact O-CB 3.24Å; L351-K353 VanDerWaalsContact C-N 3.35Å; L351-I385 HydrophobicContact CD1-CG2 3.92Å; L351-I387 HydrophobicContact CD1-CD1 3.93Å; L351-P392 HydrophobicContact CD1-CG 3.95Å; L351-P392 HydrophobicContact CD2-CB 4.47Å; L351-P392 HydrophobicContact CG-CG 4.42Å; L351-L397 HydrophobicContact CD2-CD1 3.39Å; L351-L397 HydrophobicContact CD2-CG 4.31Å
352G78.8Confident82.7Confident57 Ų5749.8 Ų49.859%0.58832%0.324SS*.THydrogen-bonded Turntrans7518.6178.200000114.9L350 P392L350-G352 PolarHBondContact O-N 3.36Å; G352-P392 WeakPolarHBondContact CA-O 3.33Å; G352-P392 PolarHBondContact N-O 3.26Å
353K77Confident82.6Confident89 Ų8947.6 Ų47.639%0.38731%0.314SS..  trans-117.7142.7179.9-62.5-179.8-172.7167.10112.7Y286 L349 L350 L351Y286-K353 VanDerWaalsContact CB-NZ 3.26Å; Y286-K353 WeakPolarHBondContact O-CE 3.42Å; Y286-K353 PolarHBondContact O-NZ 3.44Å; L349-K353 PolarHBondContact O-NZ 2.94Å; L350-K353 PolarHBondContact O-N 3.2Å; L351-K353 VanDerWaalsContact C-N 3.35Å
354D64.4Low82.6Confident126 Ų12650.4 Ų50.467%0.67432%0.324SS*.  trans-68.8139.5165.6-59.5-41.5000109.6S356D354-S356 PolarHBondContact O-N 3.36Å
355G60.3Low82.6Confident90 Ų9050.4 Ų50.493%0.92832%0.324SS*.THydrogen-bonded Turntrans-71.430-175.500000115.5
356S55.8Low82.5Confident97 Ų9751.8 Ų51.868%0.67833%0.329SS*.THydrogen-bonded Turntrans-100.37-175.558.50000113.9D354 V358D354-S356 PolarHBondContact O-N 3.36Å; S356-V358 PolarHBondContact O-N 2.89Å; S356-V358 VanDerWaalsContact O-N 3.16Å
357S58Low82.6Confident64 Ų6452 Ų5245%0.44833%0.329SS..  trans-65114.7177.660.30000111D359S357-D359 WeakPolarHBondContact CB-O 3.47Å; S357-D359 PolarHBondContact O-N 3.42Å; S357-D359 PolarHBondContact OG-O 3.21Å
358V55.3Low82.6Confident158 Ų15852 Ų5296%0.95833%0.329SS*.SBendtrans-62.8-20.8-179.7-177.30000112.6S356S356-V358 PolarHBondContact O-N 2.89Å; S356-V358 VanDerWaalsContact O-N 3.16Å
359D74.6Confident82.6Confident100 Ų10053 Ų5354%0.53533%0.334SS..SBendtrans-114.7132173.9-174.924.8000108.6Y286 S357Y286-D359 PolarHBondContact OH-O 2.9Å; Y286-D359 PolarHBondContact OH-OD2 2.88Å; S357-D359 WeakPolarHBondContact CB-O 3.47Å; S357-D359 PolarHBondContact O-N 3.42Å; S357-D359 PolarHBondContact OG-O 3.21Å
360A80.9Confident82.6Confident62 Ų6254.4 Ų54.451%0.51234%0.343SS..  trans-106.8117.6-176.900000108.9
361P91.3Very high82.5Confident5 Ų555.1 Ų55.13%0.03236%0.361CS..  trans-61.2146.6-173.817.5-24.1000111.3F283 Y286 L349 L350 H381 P382F283-P361 HydrophobicContact CD1-CB 4.01Å; F283-P361 HydrophobicContact CE1-CB 3.71Å; F283-P361 HydrophobicContact CZ-CB 4.31Å; Y286-P361 HydrophobicContact CD1-CB 4.43Å; Y286-P361 HydrophobicContact CD1-CG 3.95Å; Y286-P361 HydrophobicContact CE1-CB 4.07Å; Y286-P361 HydrophobicContact CE1-CG 3.62Å; Y286-P361 HydrophobicContact CE2-CB 4.44Å; L349-P361 HydrophobicContact CB-CG 4.14Å; L349-P361 HydrophobicContact CD1-CB 3.91Å; L349-P361 HydrophobicContact CD1-CG 4.38Å; L350-P361 HydrophobicContact CD2-CG 3.94Å; P361-H381 PolarHBondContact O-ND1 2.97Å; P361-P382 HydrophobicContact CB-CG 4.39Å; P361-P382 HydrophobicContact CG-CG 3.87Å; P361-P382 WeakPolarHBondContact O-CD 3.49Å
362A93.4Very high82.7Confident35 Ų3555.1 Ų55.129%0.28936%0.361SS..  trans-146.2123.5-175.500000110F283 T379 H381F283-A362 WeakPolarHBondContact CZ-O 3.47Å; A362-T379 HydrophobicContact CB-CG2 3.77Å; A362-H381 VanDerWaalsContact CB-CE1 3.5Å; A362-H381 WeakPolarHBondContact CB-CE1 3.26Å
363I95.8Very high83.4Confident0 Ų055.8 Ų55.80%036%0.355CS..EExtended strand (participates in β ladder)trans-93.8135.6-177-66.666.7000108.2F283 V310 T316 Y345 L349 E365 V380F283-I363 HydrophobicContact CE2-CD1 4.11Å; F283-I363 HydrophobicContact CE2-CG1 4.09Å; F283-I363 HydrophobicContact CZ-CD1 4.14Å; F283-I363 HydrophobicContact CZ-CG1 4.36Å; V310-I363 HydrophobicContact CG1-CG1 4.22Å; T316-I363 HydrophobicContact CG2-CG2 4.09Å; Y345-I363 HydrophobicContact CD1-CD1 4.47Å; Y345-I363 HydrophobicContact CD1-CG1 4.21Å; Y345-I363 HydrophobicContact CD2-CB 4.02Å; Y345-I363 HydrophobicContact CD2-CD1 3.62Å; Y345-I363 HydrophobicContact CD2-CG1 3.7Å; Y345-I363 HydrophobicContact CE1-CG1 4.36Å; Y345-I363 HydrophobicContact CE2-CB 3.73Å; Y345-I363 HydrophobicContact CE2-CD1 4.25Å; Y345-I363 HydrophobicContact CE2-CG1 3.83Å; Y345-I363 HydrophobicContact CE2-CG2 3.92Å; Y345-I363 HydrophobicContact CG-CD1 3.75Å; Y345-I363 HydrophobicContact CG-CG1 3.9Å; L349-I363 HydrophobicContact CD1-CD1 3.77Å; I363-E365 HydrophobicContact CG2-CG 4.32Å; I363-V380 PolarHBondContact N-O 3.37Å; I363-V380 PolarHBondContact O-N 3.07Å
364R96.3Very high84.2Confident104 Ų10451.9 Ų51.939%0.39234%0.338SS..EExtended strand (participates in β ladder)trans-84.1119.4170.6-63.9-168.7-68.5165-1.9109.7E50 G314 V315 T316 A377E50-R364 IonicContact OE1-CZ 2.89Å; E50-R364 IonicContact OE1-NH1 3.74Å; E50-R364 PolarHBondContact OE1-NH1 3.28Å; E50-R364 IonicContact OE1-NH2 3.27Å; E50-R364 PolarHBondContact OE1-NH2 3.19Å; G314-R364 PolarHBondContact O-N 3.14Å; V315-R364 CarbonylContact C-O 3.57Å; V315-R364 VanDerWaalsContact CA-O 3.3Å; V315-R364 WeakPolarHBondContact CA-O 3.34Å; V315-R364 HydrophobicContact CG1-CB 4.49Å; V315-R364 HydrophobicContact CG2-CB 4.21Å; T316-R364 PolarHBondContact N-O 2.8Å; R364-A377 HydrophobicContact CB-CB 3.78Å; R364-A377 HydrophobicContact CG-CB 4.42Å
365E96.6Very high85.6Confident3 Ų354.6 Ų54.61%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-106.9122.5180-67.5-164.616900112.4T316 R341 Y345 I363 F367 A377 D378 V380T316-E365 CarbonylContact O-C 3.46Å; T316-E365 WeakPolarHBondContact O-CA 3.46Å; R341-E365 IonicContact CZ-OE1 3.67Å; R341-E365 IonicContact CZ-OE2 2.82Å; R341-E365 VanDerWaalsContact NE-CD 3.3Å; R341-E365 IonicContact NE-OE1 2.74Å; R341-E365 PolarHBondContact NE-OE1 2.88Å; R341-E365 IonicContact NE-OE2 2.65Å; R341-E365 PolarHBondContact NE-OE2 2.98Å; R341-E365 IonicContact NH2-OE1 2.68Å; R341-E365 IonicContact NH2-OE2 2.69Å; R341-E365 PolarHBondContact NH2-OE2 3.46Å; Y345-E365 WeakPolarHBondContact CE2-OE1 3.34Å; Y345-E365 PolarHBondContact OH-OE1 2.96Å; I363-E365 HydrophobicContact CG2-CG 4.32Å; E365-F367 HydrophobicContact CB-CD2 3.83Å; E365-F367 HydrophobicContact CB-CE2 4.25Å; E365-F367 HydrophobicContact CG-CD2 4.34Å; E365-F367 HydrophobicContact CG-CE2 4.29Å; E365-A377 WeakPolarHBondContact O-CA 3.49Å; E365-D378 HydrophobicContact CB-CB 4.22Å; E365-D378 PolarHBondContact N-O 2.97Å; E365-D378 PolarHBondContact O-N 3.33Å; E365-V380 HydrophobicContact CB-CG2 4.27Å; E365-V380 HydrophobicContact CG-CB 4.04Å; E365-V380 HydrophobicContact CG-CG2 3.74Å; E365-V380 WeakPolarHBondContact OE2-CG2 3.49Å
366W96.6Very high87.2Confident30 Ų3057.8 Ų57.811%0.11434%0.335CS..EExtended strand (participates in β ladder)trans-105.773.8170.3-69.597.3000110R53 W56 V57 T316 E317 C318 L374 A377R53-W366 HydrophobicContact CG-CD2 4.33Å; R53-W366 HydrophobicContact CG-CH2 4.09Å; R53-W366 HydrophobicContact CG-CZ2 3.77Å; R53-W366 HydrophobicContact CG-CZ3 4.49Å; R53-W366 VanDerWaalsContact NH1-CG 3.33Å; W56-W366 HydrophobicContact CH2-CB 4.23Å; W56-W366 HydrophobicContact CZ3-CB 4.25Å; V57-W366 HydrophobicContact CG2-CE3 4.29Å; V57-W366 HydrophobicContact CG2-CZ3 4.04Å; T316-W366 PolarHBondContact O-N 3.23Å; E317-W366 VanDerWaalsContact CA-O 3.31Å; E317-W366 WeakPolarHBondContact CA-O 3.18Å; E317-W366 HydrophobicContact CB-CB 4.01Å; E317-W366 WeakPolarHBondContact CB-O 3.38Å; C318-W366 PolarHBondContact N-O 2.95Å; W366-L374 HydrophobicContact CE3-CB 4.49Å; W366-L374 HydrophobicContact CE3-CD2 4.34Å; W366-L374 HydrophobicContact CZ3-CB 4.39Å; W366-L374 WeakPolarHBondContact CZ3-O 3.24Å; W366-A377 HydrophobicContact CD2-CB 4.08Å; W366-A377 HydrophobicContact CG-CB 4.32Å; W366-A377 HydrophobicContact CZ2-CB 4.06Å
367F96.1Very high89.1Confident4 Ų454 Ų542%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-98.8119.2-177.5-85.4-121000110.8C318 A334 R341 E365 F369 N372C318-F367 HydrophobicContact CB-CD1 3.36Å; C318-F367 HydrophobicContact CB-CD2 4.03Å; C318-F367 HydrophobicContact CB-CE1 3.3Å; C318-F367 HydrophobicContact CB-CE2 3.97Å; C318-F367 HydrophobicContact CB-CG 3.73Å; C318-F367 HydrophobicContact CB-CZ 3.61Å; A334-F367 HydrophobicContact CB-CB 3.82Å; A334-F367 HydrophobicContact CB-CD1 4.11Å; A334-F367 HydrophobicContact CB-CG 4.42Å; R341-F367 VanDerWaalsContact NH1-CE1 3.33Å; E365-F367 HydrophobicContact CB-CD2 3.83Å; E365-F367 HydrophobicContact CB-CE2 4.25Å; E365-F367 HydrophobicContact CG-CD2 4.34Å; E365-F367 HydrophobicContact CG-CE2 4.29Å; F367-F369 VanDerWaalsContact O-CD1 3.24Å; F367-F369 WeakPolarHBondContact O-CD1 3.37Å; F367-N372 PolarHBondContact O-ND2 3.45Å
368V96Very high90.9Very high0 Ų054 Ų540%030%0.304CS..  trans-78.4130.8175.2-1690000109.5W56 R60 C318 N320 Q333 L374W56-V368 HydrophobicContact CH2-CG2 3.66Å; W56-V368 HydrophobicContact CZ2-CG2 4.33Å; W56-V368 HydrophobicContact CZ3-CG2 4.24Å; R60-V368 HydrophobicContact CB-CG1 4.33Å; R60-V368 HydrophobicContact CB-CG2 3.81Å; R60-V368 HydrophobicContact CG-CG2 3.8Å; C318-V368 WeakPolarHBondContact O-CG2 3.27Å; C318-V368 PolarHBondContact O-N 3.37Å; N320-V368 HydrophobicContact CB-CG1 4.37Å; N320-V368 WeakPolarHBondContact ND2-CG1 3.38Å; Q333-V368 PolarHBondContact NE2-O 3.27Å; V368-L374 HydrophobicContact CG1-CD1 4.37Å; V368-L374 HydrophobicContact CG2-CD1 3.97Å
369F94.7Very high92.8Very high27 Ų2750.6 Ų50.612%0.11828%0.284CS..  trans-149.7167170.956.2-89.1000109.6N64 P332 A334 F335 F367 N372N64-F369 PolarHBondContact ND2-O 2.88Å; P332-F369 HydrophobicContact CB-CB 3.6Å; P332-F369 HydrophobicContact CB-CD2 4.43Å; P332-F369 HydrophobicContact CB-CG 4.27Å; P332-F369 HydrophobicContact CG-CB 4.25Å; P332-F369 HydrophobicContact CG-CD2 4.38Å; A334-F369 HydrophobicContact CB-CB 4.2Å; A334-F369 HydrophobicContact CB-CD1 3.49Å; A334-F369 VanDerWaalsContact CB-CD1 3.49Å; A334-F369 HydrophobicContact CB-CE1 4.13Å; A334-F369 HydrophobicContact CB-CG 4.1Å; F335-F369 HydrophobicContact CE1-CZ 4.4Å; F335-F369 AromaticContact CE2-CD2 3.72Å; F335-F369 HydrophobicContact CE2-CD2 3.72Å; F335-F369 HydrophobicContact CE2-CE1 4.33Å; F335-F369 AromaticContact CE2-CE2 3.51Å; F335-F369 HydrophobicContact CE2-CE2 3.51Å; F335-F369 HydrophobicContact CE2-CG 4.28Å; F335-F369 AromaticContact CE2-CZ 3.85Å; F335-F369 HydrophobicContact CE2-CZ 3.85Å; F335-F369 HydrophobicContact CZ-CD2 4.19Å; F335-F369 HydrophobicContact CZ-CE1 4.05Å; F335-F369 AromaticContact CZ-CE2 3.52Å; F335-F369 HydrophobicContact CZ-CE2 3.52Å; F335-F369 AromaticContact CZ-CZ 3.44Å; F335-F369 HydrophobicContact CZ-CZ 3.44Å; F335-F369 VanDerWaalsContact CZ-CZ 3.44Å; F367-F369 VanDerWaalsContact O-CD1 3.24Å; F367-F369 WeakPolarHBondContact O-CD1 3.37Å; F369-N372 HydrophobicContact CD1-CB 3.9Å; F369-N372 HydrophobicContact CD2-CB 3.91Å; F369-N372 HydrophobicContact CE1-CB 3.76Å; F369-N372 WeakPolarHBondContact CE1-ND2 3.38Å; F369-N372 HydrophobicContact CE2-CB 3.74Å; F369-N372 HydrophobicContact CG-CB 3.96Å; F369-N372 HydrophobicContact CZ-CB 3.66Å; F369-N372 PolarHBondContact O-N 3.17Å
370P92.6Very high93.9Very high28 Ų2846 Ų4618%0.18226%0.259CS..THydrogen-bonded Turntrans-53.9147.1173-26.736.5000112.4E323 E325 N372E323-P370 HydrophobicContact CB-CG 3.75Å; E325-P370 HydrophobicContact CB-CB 3.89Å; E325-P370 HydrophobicContact CG-CB 3.86Å; P370-N372 PolarHBondContact O-N 3.3Å
371G89.7Confident94.6Very high58 Ų5847.6 Ų47.660%0.59826%0.256SS*.THydrogen-bonded Turntrans67.7-18.4-175.400000117.7E325 P373E325-G371 PolarHBondContact OE1-N 3.37Å; G371-P373 VanDerWaalsContact O-CD 3.27Å; G371-P373 WeakPolarHBondContact O-CD 3.44Å
372N93.8Very high94.8Very high21 Ų2148 Ų4811%0.11226%0.259CS..  trans-70.3117.5-177.6-169.9-9.8000111.9L61 F367 F369 P370 L374L61-N372 WeakPolarHBondContact CD2-O 3.39Å; F367-N372 PolarHBondContact O-ND2 3.45Å; F369-N372 HydrophobicContact CD1-CB 3.9Å; F369-N372 HydrophobicContact CD2-CB 3.91Å; F369-N372 HydrophobicContact CE1-CB 3.76Å; F369-N372 WeakPolarHBondContact CE1-ND2 3.38Å; F369-N372 HydrophobicContact CE2-CB 3.74Å; F369-N372 HydrophobicContact CG-CB 3.96Å; F369-N372 HydrophobicContact CZ-CB 3.66Å; F369-N372 PolarHBondContact O-N 3.17Å; P370-N372 PolarHBondContact O-N 3.3Å; N372-L374 VanDerWaalsContact C-N 3.3Å; N372-L374 WeakPolarHBondContact ND2-CD2 3.26Å; N372-L374 PolarHBondContact O-N 3.14Å; N372-L374 PolarHBondContact OD1-N 2.95Å
373P92.4Very high94.8Very high71 Ų7149.1 Ų49.146%0.46126%0.262SS..  trans-78.7-10.1178.235.1-38.2000113.8G371 K375G371-P373 VanDerWaalsContact O-CD 3.27Å; G371-P373 WeakPolarHBondContact O-CD 3.44Å; P373-K375 VanDerWaalsContact C-N 3.33Å; P373-K375 HydrophobicContact CB-CG 4.14Å; P373-K375 HydrophobicContact CG-CD 4.46Å; P373-K375 HydrophobicContact CG-CG 4.21Å; P373-K375 PolarHBondContact O-N 3.04Å
374L94.6Very high94.5Very high6 Ų653.8 Ų53.83%0.03129%0.292CS..  trans50.848.2179.8-60.2161.9000112.7W56 V57 R60 L61 W366 V368 N372W56-L374 HydrophobicContact CZ3-CD1 4.39Å; V57-L374 HydrophobicContact CB-CB 4.42Å; V57-L374 HydrophobicContact CG1-CB 3.73Å; V57-L374 HydrophobicContact CG1-CD1 4.37Å; V57-L374 HydrophobicContact CG2-CB 3.87Å; R60-L374 HydrophobicContact CB-CD1 4.24Å; L61-L374 HydrophobicContact CD2-CD1 4.25Å; L61-L374 HydrophobicContact CG-CD1 4.5Å; W366-L374 HydrophobicContact CE3-CB 4.49Å; W366-L374 HydrophobicContact CE3-CD2 4.34Å; W366-L374 HydrophobicContact CZ3-CB 4.39Å; W366-L374 WeakPolarHBondContact CZ3-O 3.24Å; V368-L374 HydrophobicContact CG1-CD1 4.37Å; V368-L374 HydrophobicContact CG2-CD1 3.97Å; N372-L374 VanDerWaalsContact C-N 3.3Å; N372-L374 WeakPolarHBondContact ND2-CD2 3.26Å; N372-L374 PolarHBondContact O-N 3.14Å; N372-L374 PolarHBondContact OD1-N 2.95Å
375K93.4Very high94.1Very high183 Ų18350 Ų5080%0.79628%0.279SS*.SBendtrans-78.9-37.4176.5-67.8-178.7179.3179.40112.3P373P373-K375 VanDerWaalsContact C-N 3.33Å; P373-K375 HydrophobicContact CB-CG 4.14Å; P373-K375 HydrophobicContact CG-CD 4.46Å; P373-K375 HydrophobicContact CG-CG 4.21Å; P373-K375 PolarHBondContact O-N 3.04Å
376E93.9Very high93.5Very high158 Ų15856.3 Ų56.374%0.73831%0.313SS*.SBendtrans-140.5169.4178.563.7-167.8160.100109.3
377A95.1Very high92.9Very high18 Ų1855.3 Ų55.315%0.14931%0.31CS..PPolyproline II helixtrans-86.9141.4176.400000110.8R364 E365 W366 T379R364-A377 HydrophobicContact CB-CB 3.78Å; R364-A377 HydrophobicContact CG-CB 4.42Å; E365-A377 WeakPolarHBondContact O-CA 3.49Å; W366-A377 HydrophobicContact CD2-CB 4.08Å; W366-A377 HydrophobicContact CG-CB 4.32Å; W366-A377 HydrophobicContact CZ2-CB 4.06Å; A377-T379 PolarHBondContact O-N 2.97Å
378D95.8Very high91.7Very high62 Ų6259.5 Ų59.533%0.33234%0.338SS..EExtended strand (participates in β ladder)trans-69.4124.9171.8-76.7-31000109.7E365 V380E365-D378 HydrophobicContact CB-CB 4.22Å; E365-D378 PolarHBondContact N-O 2.97Å; E365-D378 PolarHBondContact O-N 3.33Å; D378-V380 HydrophobicContact CB-CG2 4.36Å; D378-V380 PolarHBondContact O-N 3.16Å
379T96.4Very high90.1Very high88 Ų8862.3 Ų62.354%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-78.9119.6172.2-59.30000109.7A362 A377A362-T379 HydrophobicContact CB-CG2 3.77Å; A377-T379 PolarHBondContact O-N 2.97Å
380V96.8Very high88.6Confident2 Ų264.7 Ų64.71%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-124119-177.2-179.70000111Q342 Y345 I363 E365 D378Q342-V380 HydrophobicContact CG-CG1 3.51Å; Y345-V380 HydrophobicContact CD2-CG1 4.28Å; Y345-V380 HydrophobicContact CE2-CB 4.37Å; Y345-V380 HydrophobicContact CE2-CG1 3.97Å; I363-V380 PolarHBondContact N-O 3.37Å; I363-V380 PolarHBondContact O-N 3.07Å; E365-V380 HydrophobicContact CB-CG2 4.27Å; E365-V380 HydrophobicContact CG-CB 4.04Å; E365-V380 HydrophobicContact CG-CG2 3.74Å; E365-V380 WeakPolarHBondContact OE2-CG2 3.49Å; D378-V380 HydrophobicContact CB-CG2 4.36Å; D378-V380 PolarHBondContact O-N 3.16Å
381H95.5Very high87.6Confident96 Ų9671.9 Ų71.944%0.44442%0.42SS..  trans-87.9142.4179.9-65.1-73.8000112.2Q342 P361 A362Q342-H381 WeakPolarHBondContact CG-O 3.36Å; Q342-H381 PolarHBondContact NE2-O 3.29Å; P361-H381 PolarHBondContact O-ND1 2.97Å; A362-H381 VanDerWaalsContact CB-CE1 3.5Å; A362-H381 WeakPolarHBondContact CB-CE1 3.26Å
382P95.4Very high87.4Confident15 Ų1569.8 Ų69.810%0.09740%0.396CS..  trans-64.4144.8172.823-25.7000111.7Q342 Y345 L350 P361Q342-P382 WeakPolarHBondContact O-CA 3.37Å; Y345-P382 VanDerWaalsContact C-CB 3.49Å; L350-P382 HydrophobicContact CD1-CB 3.8Å; L350-P382 HydrophobicContact CD1-CG 3.94Å; L350-P382 HydrophobicContact CD2-CG 4.22Å; L350-P382 HydrophobicContact CG-CB 4.04Å; L350-P382 HydrophobicContact CG-CG 4.03Å; P361-P382 HydrophobicContact CB-CG 4.39Å; P361-P382 HydrophobicContact CG-CG 3.87Å; P361-P382 WeakPolarHBondContact O-CD 3.49Å
383V93.6Very high87.2Confident58 Ų5870.8 Ų70.835%0.35241%0.405SS..  trans-109.4125.8175.3167.80000108.4Q342 G346 I385Q342-V383 HydrophobicContact CB-CB 4.09Å; Q342-V383 HydrophobicContact CB-CG2 3.79Å; Q342-V383 HydrophobicContact CG-CG2 4.45Å; Q342-V383 PolarHBondContact O-N 3.28Å; G346-V383 WeakPolarHBondContact CA-O 3.48Å; V383-I385 PolarHBondContact O-N 2.91Å
384P89.3Confident87.2Confident98 Ų9867.9 Ų67.964%0.63639%0.385SS*.  trans-52.5138.3177.1-26.833.8000112.5L350L350-P384 HydrophobicContact CD1-CG 3.94Å
385I87.9Confident87.1Confident23 Ų2370.4 Ų70.412%0.11840%0.399CS..  trans-106.4124.8178.7-165.2171.5000109.6L347 L351 V383 I387 T415 V416L347-I385 HydrophobicContact CB-CG2 4.25Å; L347-I385 HydrophobicContact CD1-CD1 4.42Å; L347-I385 HydrophobicContact CD1-CG2 3.91Å; L351-I385 HydrophobicContact CD1-CG2 3.92Å; V383-I385 PolarHBondContact O-N 2.91Å; I385-I387 HydrophobicContact CD1-CG1 4.49Å; I385-I387 HydrophobicContact CG1-CG1 4.21Å; I385-I387 HydrophobicContact CG2-CD1 4.15Å; I385-I387 HydrophobicContact CG2-CG1 4.25Å; I385-T415 HydrophobicContact CD1-CG2 3.88Å; I385-T415 HydrophobicContact CG1-CG2 3.5Å; I385-V416 HydrophobicContact CD1-CG2 3.78Å
386N83.6Confident87Confident137 Ų13764.6 Ų64.673%0.73338%0.376SS*.  trans-94108176.2-171.94.8000109.2
387I84.9Confident87Confident8 Ų857.1 Ų57.14%0.04134%0.341CS..  trans-108.1121.9178.7-51.9167.1000107.1L347 L351 I385 C389 P392 L408 A411 A412L347-I387 HydrophobicContact CD1-CD1 3.93Å; L351-I387 HydrophobicContact CD1-CD1 3.93Å; I385-I387 HydrophobicContact CD1-CG1 4.49Å; I385-I387 HydrophobicContact CG1-CG1 4.21Å; I385-I387 HydrophobicContact CG2-CD1 4.15Å; I385-I387 HydrophobicContact CG2-CG1 4.25Å; I387-C389 PolarHBondContact O-N 2.69Å; I387-P392 HydrophobicContact CD1-CG 4.36Å; I387-L408 HydrophobicContact CG2-CD1 3.7Å; I387-A411 HydrophobicContact CG2-CB 3.8Å; I387-A412 HydrophobicContact CD1-CB 3.7Å; I387-A412 HydrophobicContact CG1-CB 4.48Å
388P71.3Confident86.9Confident92 Ų9257.2 Ų57.260%0.59734%0.338SS*.SBendtrans-79.759.4-171.332.3-36.1000113.1L420P388-L420 HydrophobicContact CG-CD2 3.76Å
389C62.2Low86.9Confident59 Ų5958.9 Ų58.940%0.39934%0.342SS..SBendtrans-156.997.2171.1-10000111.2I387 L408I387-C389 PolarHBondContact O-N 2.69Å; C389-L408 HydrophobicContact CB-CD1 3.96Å; C389-L408 VanDerWaalsContact SG-CD1 3.53Å
390G62.3Low86.7Confident78 Ų7856.9 Ų56.980%0.80433%0.332SS*.SBendtrans66.1-158.1172.100000115.4P392G390-P392 VanDerWaalsContact C-CD 3.47Å; G390-P392 WeakPolarHBondContact O-CD 3.37Å
391Q72.1Confident86.5Confident178 Ų17862 Ų6283%0.83237%0.367SS*.SBendtrans-100.286.9163.7-75-177.6-41.400108.2
392P85.5Confident86.4Confident14 Ų1459 Ų599%0.09136%0.363CS..  trans-70.6147.918030.2-36.3000111.4L351 G352 I387 G390 L408L351-P392 HydrophobicContact CD1-CG 3.95Å; L351-P392 HydrophobicContact CD2-CB 4.47Å; L351-P392 HydrophobicContact CG-CG 4.42Å; G352-P392 WeakPolarHBondContact CA-O 3.33Å; G352-P392 PolarHBondContact N-O 3.26Å; I387-P392 HydrophobicContact CD1-CG 4.36Å; G390-P392 VanDerWaalsContact C-CD 3.47Å; G390-P392 WeakPolarHBondContact O-CD 3.37Å; P392-L408 HydrophobicContact CB-CD1 4.03Å; P392-L408 HydrophobicContact CB-CD2 4.03Å; P392-L408 HydrophobicContact CG-CD1 4.48Å
393S89.9Confident86.2Confident43 Ų4363.6 Ų63.630%0.30139%0.393SS..  trans-115.8163.1168.770.80000110.9D395 L396 L397S393-D395 VanDerWaalsContact C-N 3.34Å; S393-L396 PolarHBondContact O-N 2.78Å; S393-L396 WeakPolarHBondContact OG-CB 3.48Å; S393-L396 PolarHBondContact OG-N 3.49Å; S393-L397 PolarHBondContact O-N 2.94Å; S393-L397 VanDerWaalsContact O-N 3.1Å
394L91.9Very high86.1Confident10 Ų1068.8 Ų68.85%0.05241%0.413CS..Hα-helixtrans-68.8-34.8178.9-169.456000111.6V287 I291 L348 L397 W398V287-L394 HydrophobicContact CG1-CD2 4.3Å; I291-L394 HydrophobicContact CD1-CB 3.72Å; I291-L394 HydrophobicContact CD1-CD2 3.9Å; I291-L394 HydrophobicContact CD1-CG 3.7Å; I291-L394 HydrophobicContact CG1-CG 4.48Å; I291-L394 HydrophobicContact CG2-CD2 4.16Å; L348-L394 HydrophobicContact CD2-CD1 4.47Å; L348-L394 HydrophobicContact CD2-CD2 4.13Å; L348-L394 WeakPolarHBondContact O-CD2 3.38Å; L394-L397 HydrophobicContact CD1-CD1 4.4Å; L394-L397 WeakPolarHBondContact O-CB 3.5Å; L394-L397 PolarHBondContact O-N 3.26Å; L394-W398 HydrophobicContact CD1-CG 4.4Å; L394-W398 WeakPolarHBondContact O-CB 3.31Å; L394-W398 PolarHBondContact O-N 3.22Å
395D92.6Very high86.2Confident58 Ų5864.9 Ų64.931%0.3139%0.388SS..Hα-helixtrans-63.4-40.3173.8-55.1-93.3000112.3S288 I291 S393 W398 F399S288-D395 WeakPolarHBondContact CB-OD1 3.17Å; S288-D395 PolarHBondContact OG-OD1 3.44Å; I291-D395 WeakPolarHBondContact CD1-OD1 3.28Å; S393-D395 VanDerWaalsContact C-N 3.34Å; D395-W398 PolarHBondContact O-N 2.86Å; D395-F399 HydrophobicContact CB-CD2 4.07Å; D395-F399 HydrophobicContact CB-CE2 4.45Å; D395-F399 PolarHBondContact O-N 2.95Å
396L92.1Very high86.5Confident62 Ų6266.8 Ų66.833%0.32540%0.403SS..Hα-helixtrans-61.2-46.4172.917668.3000110.7S393 W398 S400 V405 L408S393-L396 PolarHBondContact O-N 2.78Å; S393-L396 WeakPolarHBondContact OG-CB 3.48Å; S393-L396 PolarHBondContact OG-N 3.49Å; L396-W398 PolarHBondContact O-N 2.87Å; L396-S400 VanDerWaalsContact O-CB 3.31Å; L396-S400 WeakPolarHBondContact O-CB 3.28Å; L396-S400 PolarHBondContact O-N 3.45Å; L396-V405 HydrophobicContact CD1-CG2 4.46Å; L396-L408 HydrophobicContact CD2-CD2 3.79Å; L396-L408 HydrophobicContact CG-CD2 4.15Å
397L92.4Very high86.9Confident0 Ų063 Ų630%039%0.39CS..Hα-helixtrans-61.5-41.7176.3-81.5175.4000112.3L347 L351 S393 L394 L408 R409 A412L347-L397 HydrophobicContact CD1-CD1 3.84Å; L351-L397 HydrophobicContact CD2-CD1 3.39Å; L351-L397 HydrophobicContact CD2-CG 4.31Å; S393-L397 PolarHBondContact O-N 2.94Å; S393-L397 VanDerWaalsContact O-N 3.1Å; L394-L397 HydrophobicContact CD1-CD1 4.4Å; L394-L397 WeakPolarHBondContact O-CB 3.5Å; L394-L397 PolarHBondContact O-N 3.26Å; L397-L408 HydrophobicContact CD2-CB 4.49Å; L397-L408 HydrophobicContact CD2-CD2 3.87Å; L397-L408 HydrophobicContact CD2-CG 3.73Å; L397-L408 HydrophobicContact CG-CD2 4.35Å; L397-R409 HydrophobicContact CD2-CG 3.97Å; L397-R409 PolarHBondContact O-NE 2.89Å; L397-R409 PolarHBondContact O-NH2 3.41Å; L397-A412 HydrophobicContact CD1-CB 4.44Å; L397-A412 HydrophobicContact CD2-CB 4.36Å
398W94.4Very high87.4Confident20 Ų2063 Ų638%0.07639%0.391CS..Hα-helixtrans-90.3-38-169-80.431.6000114.6I291 A294 C295 V307 L348 L394 D395 L396 A505I291-W398 HydrophobicContact CG1-CE3 4.45Å; I291-W398 HydrophobicContact CG2-CE3 4.41Å; I291-W398 HydrophobicContact CG2-CH2 4.38Å; I291-W398 HydrophobicContact CG2-CZ3 4.05Å; A294-W398 HydrophobicContact CB-CE3 4.3Å; A294-W398 HydrophobicContact CB-CZ3 4.25Å; C295-W398 HydrophobicContact CB-CH2 4.38Å; C295-W398 HydrophobicContact CB-CZ3 4.34Å; V307-W398 HydrophobicContact CG1-CH2 3.73Å; V307-W398 HydrophobicContact CG1-CZ2 3.91Å; L348-W398 HydrophobicContact CD2-CZ2 3.99Å; L394-W398 HydrophobicContact CD1-CG 4.4Å; L394-W398 WeakPolarHBondContact O-CB 3.31Å; L394-W398 PolarHBondContact O-N 3.22Å; D395-W398 PolarHBondContact O-N 2.86Å; L396-W398 PolarHBondContact O-N 2.87Å; W398-A505 PolarHBondContact NE1-O 2.97Å
399F94.7Very high88.5Confident97 Ų9760.3 Ų60.343%0.42537%0.369SS..Hα-helixtrans-110.1-21.9-168.5-53.4-54.1000114.2E290 I291 A294 D395E290-F399 HydrophobicContact CB-CE2 3.87Å; E290-F399 HydrophobicContact CB-CZ 4.03Å; I291-F399 HydrophobicContact CG1-CE2 3.8Å; I291-F399 HydrophobicContact CG1-CZ 4.06Å; A294-F399 HydrophobicContact CB-CE1 3.84Å; A294-F399 HydrophobicContact CB-CZ 3.98Å; D395-F399 HydrophobicContact CB-CD2 4.07Å; D395-F399 HydrophobicContact CB-CE2 4.45Å; D395-F399 PolarHBondContact O-N 2.95Å
400S92.9Very high90.1Very high47 Ų4758.1 Ų58.133%0.32935%0.353SS..  trans-76.4168.6175.5-60.40000112.9L396 R409L396-S400 VanDerWaalsContact O-CB 3.31Å; L396-S400 WeakPolarHBondContact O-CB 3.28Å; L396-S400 PolarHBondContact O-N 3.45Å; S400-R409 PolarHBondContact O-NH2 3.25Å
401S92.8Very high91.7Very high108 Ų10854.9 Ų54.976%0.75532%0.319SS*.  trans-142.8152.6-177.3-72.30000110.5
402G92.6Very high92.8Very high34 Ų3446.4 Ų46.435%0.35128%0.279SS..SBendtrans138.1169.6179.600000112.6S406G402-S406 WeakPolarHBondContact O-CB 3.46Å; G402-S406 PolarHBondContact O-N 3.34Å; G402-S406 PolarHBondContact O-OG 2.73Å
403P91Very high93.4Very high112 Ų11245.7 Ų45.773%0.72728%0.275SS*.Hα-helixtrans-65.9-41.5178.326.6-33000112S406 A407P403-S406 WeakPolarHBondContact O-CB 3.42Å; P403-S406 PolarHBondContact O-N 3.33Å; P403-S406 VanDerWaalsContact O-N 3.11Å; P403-A407 PolarHBondContact O-N 2.92Å
404E91.1Very high93.7Very high166 Ų16643.7 Ų43.778%0.77626%0.26SS*.Hα-helixtrans-61.4-45.1177-65173.3-172.800112S406 A407 L408E404-S406 VanDerWaalsContact C-N 3.28Å; E404-S406 PolarHBondContact O-N 3.44Å; E404-A407 PolarHBondContact O-N 2.68Å; E404-L408 WeakPolarHBondContact O-CB 3.43Å; E404-L408 PolarHBondContact O-N 3.02Å
405V92.4Very high93.9Very high16 Ų1644.2 Ų44.210%0.09726%0.264CS..Hα-helixtrans-62.6-38.2174.2-177.20000110.5L396 L408 R409L396-V405 HydrophobicContact CD1-CG2 4.46Å; V405-L408 WeakPolarHBondContact O-CB 3.39Å; V405-L408 PolarHBondContact O-N 2.97Å; V405-R409 HydrophobicContact CG1-CG 4.47Å; V405-R409 VanDerWaalsContact O-CG 3.26Å; V405-R409 WeakPolarHBondContact O-CG 3.26Å; V405-R409 PolarHBondContact O-N 2.96Å
406S93.3Very high94.1Very high63 Ų6341.4 Ų41.444%0.44125%0.249SC..Hα-helixtrans-65.9-40.7178-53.80000111.8G402 P403 E404 R409 L410G402-S406 WeakPolarHBondContact O-CB 3.46Å; G402-S406 PolarHBondContact O-N 3.34Å; G402-S406 PolarHBondContact O-OG 2.73Å; P403-S406 WeakPolarHBondContact O-CB 3.42Å; P403-S406 PolarHBondContact O-N 3.33Å; P403-S406 VanDerWaalsContact O-N 3.11Å; E404-S406 VanDerWaalsContact C-N 3.28Å; E404-S406 PolarHBondContact O-N 3.44Å; S406-R409 PolarHBondContact O-N 2.8Å; S406-L410 PolarHBondContact O-N 2.81Å
407A93.3Very high94.3Very high57 Ų5738.5 Ų38.547%0.47123%0.234SC..Hα-helixtrans-64.7-40.8172.300000111.9P403 E404 L410 A411P403-A407 PolarHBondContact O-N 2.92Å; E404-A407 PolarHBondContact O-N 2.68Å; A407-L410 PolarHBondContact O-N 2.86Å; A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 2.72Å
408L93.9Very high94.3Very high10 Ų1040.9 Ų40.95%0.05225%0.246CC..Hα-helixtrans-62.2-42.5175.3-178.870.4000112I387 C389 P392 L396 L397 E404 V405 A411 A412I387-L408 HydrophobicContact CG2-CD1 3.7Å; C389-L408 HydrophobicContact CB-CD1 3.96Å; C389-L408 VanDerWaalsContact SG-CD1 3.53Å; P392-L408 HydrophobicContact CB-CD1 4.03Å; P392-L408 HydrophobicContact CB-CD2 4.03Å; P392-L408 HydrophobicContact CG-CD1 4.48Å; L396-L408 HydrophobicContact CD2-CD2 3.79Å; L396-L408 HydrophobicContact CG-CD2 4.15Å; L397-L408 HydrophobicContact CD2-CB 4.49Å; L397-L408 HydrophobicContact CD2-CD2 3.87Å; L397-L408 HydrophobicContact CD2-CG 3.73Å; L397-L408 HydrophobicContact CG-CD2 4.35Å; E404-L408 WeakPolarHBondContact O-CB 3.43Å; E404-L408 PolarHBondContact O-N 3.02Å; V405-L408 WeakPolarHBondContact O-CB 3.39Å; V405-L408 PolarHBondContact O-N 2.97Å; L408-A411 PolarHBondContact O-N 2.92Å; L408-A412 WeakPolarHBondContact O-CB 3.42Å; L408-A412 PolarHBondContact O-N 3.11Å
409R95.6Very high94.3Very high34 Ų3439.9 Ų39.913%0.12824%0.243CC..Hα-helixtrans-60.8-46.3173.9-68.5178.5174.91479.1111.5L397 S400 V405 S406 A412 F413 S506 G507 A509L397-R409 HydrophobicContact CD2-CG 3.97Å; L397-R409 PolarHBondContact O-NE 2.89Å; L397-R409 PolarHBondContact O-NH2 3.41Å; S400-R409 PolarHBondContact O-NH2 3.25Å; V405-R409 HydrophobicContact CG1-CG 4.47Å; V405-R409 VanDerWaalsContact O-CG 3.26Å; V405-R409 WeakPolarHBondContact O-CG 3.26Å; V405-R409 PolarHBondContact O-N 2.96Å; S406-R409 PolarHBondContact O-N 2.8Å; R409-A412 PolarHBondContact O-N 2.84Å; R409-F413 WeakPolarHBondContact O-CB 3.39Å; R409-F413 PolarHBondContact O-N 3.38Å; R409-S506 WeakPolarHBondContact CB-O 3.34Å; R409-S506 VanDerWaalsContact CG-O 3.24Å; R409-S506 WeakPolarHBondContact CG-O 3.46Å; R409-G507 WeakPolarHBondContact CD-O 3.19Å; R409-G507 PolarHBondContact NE-O 2.81Å; R409-A509 HydrophobicContact CB-CB 3.92Å; R409-A509 WeakPolarHBondContact O-CB 3.31Å
410L96Very high94.3Very high13 Ų1337.9 Ų37.97%0.06824%0.236CC..Hα-helixtrans-61.7-46.4176.6-178.467.8000111.5S406 A407 A412 F413 L414 H426 L510S406-L410 PolarHBondContact O-N 2.81Å; A407-L410 PolarHBondContact O-N 2.86Å; L410-A412 PolarHBondContact O-N 3.48Å; L410-F413 PolarHBondContact O-N 3.12Å; L410-L414 HydrophobicContact CD1-CD1 4.02Å; L410-L414 HydrophobicContact CD1-CG 4.11Å; L410-L414 HydrophobicContact CD2-CD1 4.48Å; L410-L414 HydrophobicContact CG-CD1 3.87Å; L410-L414 HydrophobicContact CG-CG 4.31Å; L410-L414 WeakPolarHBondContact O-CB 3.48Å; L410-L414 VanDerWaalsContact O-CG 3.3Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 2.79Å; L410-H426 HydrophobicContact CD1-CB 4.3Å; L410-H426 HydrophobicContact CD2-CB 3.56Å; L410-L510 HydrophobicContact CD1-CD2 4.29Å
411A95.5Very high94.3Very high10 Ų1039 Ų398%0.08324%0.236CC..Hα-helixtrans-60.8-43.1176.200000111.7I387 A407 L408 T415 L420I387-A411 HydrophobicContact CG2-CB 3.8Å; A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 2.72Å; L408-A411 PolarHBondContact O-N 2.92Å; A411-T415 VanDerWaalsContact O-CB 3.29Å; A411-T415 WeakPolarHBondContact O-CB 3.26Å; A411-T415 PolarHBondContact O-N 3.38Å; A411-T415 PolarHBondContact O-OG1 3.02Å; A411-L420 HydrophobicContact CB-CD1 3.73Å
412A95.8Very high94.5Very high0 Ų033.9 Ų33.90%020%0.2CC..Hα-helixtrans-59.1-49.7174.300000112L347 I387 L397 L408 R409 L410 T415 V416L347-A412 HydrophobicContact CD1-CB 4.01Å; L347-A412 HydrophobicContact CD2-CB 4.37Å; I387-A412 HydrophobicContact CD1-CB 3.7Å; I387-A412 HydrophobicContact CG1-CB 4.48Å; L397-A412 HydrophobicContact CD1-CB 4.44Å; L397-A412 HydrophobicContact CD2-CB 4.36Å; L408-A412 WeakPolarHBondContact O-CB 3.42Å; L408-A412 PolarHBondContact O-N 3.11Å; R409-A412 PolarHBondContact O-N 2.84Å; L410-A412 PolarHBondContact O-N 3.48Å; A412-T415 PolarHBondContact O-N 2.92Å; A412-V416 WeakPolarHBondContact O-CG2 3.11Å; A412-V416 PolarHBondContact O-N 2.96Å
413F97Very high94.6Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-59.2-50178.1170.5-102.8000112.5R409 L410 T415 V416 L499 A502 N503 A509 L510R409-F413 WeakPolarHBondContact O-CB 3.39Å; R409-F413 PolarHBondContact O-N 3.38Å; L410-F413 PolarHBondContact O-N 3.12Å; F413-T415 PolarHBondContact O-N 2.76Å; F413-V416 WeakPolarHBondContact O-CB 3.41Å; F413-V416 PolarHBondContact O-N 3.26Å; F413-L499 HydrophobicContact CE2-CD2 4.08Å; F413-L499 HydrophobicContact CZ-CD2 3.67Å; F413-A502 HydrophobicContact CD2-CB 4.18Å; F413-A502 HydrophobicContact CE2-CB 4.41Å; F413-N503 HydrophobicContact CD2-CB 4.04Å; F413-N503 HydrophobicContact CE2-CB 3.98Å; F413-A509 HydrophobicContact CB-CB 3.71Å; F413-A509 HydrophobicContact CG-CB 4.21Å; F413-L510 HydrophobicContact CD1-CD1 4.28Å; F413-L510 HydrophobicContact CE1-CD1 3.54Å; F413-L510 HydrophobicContact CE1-CG 4.21Å; F413-L510 HydrophobicContact CZ-CD1 3.81Å
414L96.9Very high94.8Very high0 Ų034.9 Ų34.90%020%0.195CC..Hα-helixtrans-66.6-38.4-178.6-68.3176.4000112L410 V416 F417 D418 C419 C438L410-L414 HydrophobicContact CD1-CD1 4.02Å; L410-L414 HydrophobicContact CD1-CG 4.11Å; L410-L414 HydrophobicContact CD2-CD1 4.48Å; L410-L414 HydrophobicContact CG-CD1 3.87Å; L410-L414 HydrophobicContact CG-CG 4.31Å; L410-L414 WeakPolarHBondContact O-CB 3.48Å; L410-L414 VanDerWaalsContact O-CG 3.3Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 2.79Å; L414-V416 VanDerWaalsContact C-N 3.31Å; L414-V416 PolarHBondContact O-N 2.75Å; L414-F417 CarbonylContact O-C 3.6Å; L414-F417 PolarHBondContact O-N 3.41Å; L414-F417 VanDerWaalsContact O-N 3.07Å; L414-D418 PolarHBondContact O-N 3.01Å; L414-D418 VanDerWaalsContact O-N 3.14Å; L414-C419 HydrophobicContact CD2-CB 4.39Å; L414-C419 PolarHBondContact O-N 2.9Å; L414-C438 WeakPolarHBondContact CD2-SG 3.14Å
415T95.6Very high95Very high21 Ų2127.5 Ų27.513%0.12916%0.161CC..Hα-helixtrans-66.1-30.1177.5-60.50000112.5I385 A411 A412 F413 F417 D418I385-T415 HydrophobicContact CD1-CG2 3.88Å; I385-T415 HydrophobicContact CG1-CG2 3.5Å; A411-T415 VanDerWaalsContact O-CB 3.29Å; A411-T415 WeakPolarHBondContact O-CB 3.26Å; A411-T415 PolarHBondContact O-N 3.38Å; A411-T415 PolarHBondContact O-OG1 3.02Å; A412-T415 PolarHBondContact O-N 2.92Å; F413-T415 PolarHBondContact O-N 2.76Å; T415-F417 PolarHBondContact O-N 2.95Å; T415-D418 PolarHBondContact O-N 3.3Å
416V96.7Very high95.1Very high0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-57.1-33.3171.1169.70000111.6C340 R343 V344 L347 I385 A412 F413 L414 A502C340-V416 VanDerWaalsContact SG-CG1 3.54Å; R343-V416 HydrophobicContact CB-CB 4.49Å; R343-V416 HydrophobicContact CB-CG1 4.36Å; R343-V416 HydrophobicContact CB-CG2 4.26Å; R343-V416 WeakPolarHBondContact CD-O 3.29Å; R343-V416 PolarHBondContact NH1-O 3.3Å; V344-V416 HydrophobicContact CG2-CG1 3.67Å; V344-V416 HydrophobicContact CG2-CG2 4.37Å; L347-V416 HydrophobicContact CD2-CG2 4.3Å; I385-V416 HydrophobicContact CD1-CG2 3.78Å; A412-V416 WeakPolarHBondContact O-CG2 3.11Å; A412-V416 PolarHBondContact O-N 2.96Å; F413-V416 WeakPolarHBondContact O-CB 3.41Å; F413-V416 PolarHBondContact O-N 3.26Å; L414-V416 VanDerWaalsContact C-N 3.31Å; L414-V416 PolarHBondContact O-N 2.75Å; V416-A502 HydrophobicContact CB-CB 4.18Å; V416-A502 HydrophobicContact CG1-CB 3.71Å; V416-A502 HydrophobicContact CG2-CB 4.48Å
417F95.7Very high95.1Very high0 Ų030.8 Ų30.80%019%0.186CC..THydrogen-bonded Turntrans-98.78.3176-71.7-89.3000114.3C340 L414 T415 C419 L439 Y442 H498 L499 A502C340-F417 WeakPolarHBondContact SG-CZ 3.42Å; L414-F417 CarbonylContact O-C 3.6Å; L414-F417 PolarHBondContact O-N 3.41Å; L414-F417 VanDerWaalsContact O-N 3.07Å; T415-F417 PolarHBondContact O-N 2.95Å; F417-C419 HydrophobicContact CB-CB 4.32Å; F417-C419 PolarHBondContact O-N 2.81Å; F417-C419 PolarHBondContact O-SG 3.08Å; F417-L439 HydrophobicContact CE1-CD1 4.47Å; F417-Y442 HydrophobicContact CB-CD2 4.29Å; F417-Y442 HydrophobicContact CD1-CD1 4.23Å; F417-Y442 AromaticContact CD1-CD2 3.79Å; F417-Y442 HydrophobicContact CD1-CD2 3.79Å; F417-Y442 HydrophobicContact CD1-CE2 4.44Å; F417-Y442 AromaticContact CD1-CG 3.67Å; F417-Y442 HydrophobicContact CD1-CG 3.67Å; F417-Y442 HydrophobicContact CE1-CD1 4.47Å; F417-Y442 HydrophobicContact CE1-CG 4.34Å; F417-Y442 HydrophobicContact CG-CD2 4.46Å; F417-H498 HydrophobicContact CZ-CB 4.25Å; F417-L499 HydrophobicContact CD1-CD2 4.42Å; F417-L499 HydrophobicContact CD2-CD2 3.95Å; F417-L499 HydrophobicContact CE1-CD2 4.09Å; F417-L499 HydrophobicContact CE1-CG 4.31Å; F417-L499 HydrophobicContact CE2-CD2 3.58Å; F417-L499 HydrophobicContact CE2-CG 4.22Å; F417-L499 HydrophobicContact CG-CD2 4.36Å; F417-L499 HydrophobicContact CZ-CB 4.35Å; F417-L499 HydrophobicContact CZ-CD2 3.67Å; F417-L499 HydrophobicContact CZ-CG 3.87Å; F417-A502 HydrophobicContact CD2-CB 4.48Å; F417-A502 HydrophobicContact CE2-CB 3.66Å
418D93.1Very high95.2Very high50 Ų5034.6 Ų34.627%0.26719%0.194SC..THydrogen-bonded Turntrans58.922.6-173.7-145.5-4.7000114.4R343 L414 T415 R567R343-D418 IonicContact NH2-OD2 2.62Å; L414-D418 PolarHBondContact O-N 3.01Å; L414-D418 VanDerWaalsContact O-N 3.14Å; T415-D418 PolarHBondContact O-N 3.3Å; D418-R567 VanDerWaalsContact CG-NH1 3.33Å; D418-R567 IonicContact OD1-CZ 3.64Å; D418-R567 IonicContact OD1-NH1 3.83Å; D418-R567 PolarHBondContact OD1-NH1 3.5Å; D418-R567 IonicContact OD1-NH2 3.44Å; D418-R567 PolarHBondContact OD1-NH2 3.01Å; D418-R567 IonicContact OD2-CZ 3.68Å; D418-R567 IonicContact OD2-NH1 2.81Å; D418-R567 PolarHBondContact OD2-NH1 3.26Å; D418-R567 IonicContact OD2-NH2 2.79Å; D418-R567 PolarHBondContact OD2-NH2 3.34Å
419C95.4Very high95.3Very high0 Ų034.5 Ų34.50%019%0.194CC..  trans-106.622.6-171.4-70.50000113.2L414 F417 H421 Y422 C438L414-C419 HydrophobicContact CD2-CB 4.39Å; L414-C419 PolarHBondContact O-N 2.9Å; F417-C419 HydrophobicContact CB-CB 4.32Å; F417-C419 PolarHBondContact O-N 2.81Å; F417-C419 PolarHBondContact O-SG 3.08Å; C419-H421 PolarHBondContact O-N 3.22Å; C419-H421 VanDerWaalsContact O-N 3.1Å; C419-Y422 HydrophobicContact CB-CD2 3.82Å; C419-Y422 HydrophobicContact CB-CE2 4.2Å; C419-Y422 WeakPolarHBondContact O-CB 3.47Å; C419-Y422 PolarHBondContact O-N 3.03Å; C419-C438 HydrophobicContact CB-CB 4.3Å
420L94.2Very high95.3Very high55 Ų5534.2 Ų34.229%0.28820%0.201SC..G310 helixtrans-53.5-34.6-173.7-179.963.6000113.9P388 A411 Y422 S423P388-L420 HydrophobicContact CG-CD2 3.76Å; A411-L420 HydrophobicContact CB-CD1 3.73Å; L420-Y422 PolarHBondContact O-N 3.35Å; L420-Y422 VanDerWaalsContact O-N 3.11Å; L420-S423 WeakPolarHBondContact O-CB 3.31Å; L420-S423 PolarHBondContact O-N 3.25Å; L420-S423 PolarHBondContact O-OG 3.35Å
421H93.1Very high95.3Very high69 Ų6935.8 Ų35.832%0.31921%0.21SC..G310 helixtrans-66.8-3.8177.857.5-84000114.5C419 S423 T563C419-H421 PolarHBondContact O-N 3.22Å; C419-H421 VanDerWaalsContact O-N 3.1Å; H421-S423 VanDerWaalsContact C-N 3.35Å; H421-T563 PolarHBondContact CD2-OG1 2.82Å; H421-T563 WeakPolarHBondContact CE1-CG2 3.4Å; H421-T563 VanDerWaalsContact NE2-CG2 3.27Å; H421-T563 WeakPolarHBondContact NE2-CG2 3.2Å; H421-T563 PolarHBondContact NE2-OG1 3.15Å
422Y96.1Very high95.4Very high1 Ų136.1 Ų36.10%0.00421%0.211CC..G310 helixtrans-92.19.7168.1-59.4-27.1000113.1C419 L420 D424 L425 L437 T441 K559 T563C419-Y422 HydrophobicContact CB-CD2 3.82Å; C419-Y422 HydrophobicContact CB-CE2 4.2Å; C419-Y422 WeakPolarHBondContact O-CB 3.47Å; C419-Y422 PolarHBondContact O-N 3.03Å; L420-Y422 PolarHBondContact O-N 3.35Å; L420-Y422 VanDerWaalsContact O-N 3.11Å; Y422-D424 PolarHBondContact O-N 3.44Å; Y422-L425 HydrophobicContact CD1-CD1 3.91Å; Y422-L425 HydrophobicContact CG-CD1 4.16Å; Y422-L425 PolarHBondContact O-N 3.4Å; Y422-L437 HydrophobicContact CD1-CD2 4.21Å; Y422-L437 HydrophobicContact CD2-CD2 3.91Å; Y422-L437 HydrophobicContact CD2-CG 4Å; Y422-L437 HydrophobicContact CE1-CD2 4.13Å; Y422-L437 HydrophobicContact CE2-CD1 4.3Å; Y422-L437 HydrophobicContact CE2-CD2 3.84Å; Y422-L437 HydrophobicContact CE2-CG 3.59Å; Y422-L437 HydrophobicContact CG-CD2 4.12Å; Y422-T441 HydrophobicContact CE2-CG2 4.17Å; Y422-T441 WeakPolarHBondContact OH-CG2 3.21Å; Y422-T441 PolarHBondContact OH-OG1 3.47Å; Y422-K559 HydrophobicContact CE1-CB 4.11Å; Y422-K559 PolarHBondContact OH-O 3.4Å; Y422-T563 PolarHBondContact OH-OG1 3.48Å
423S94.9Very high95.4Very high43 Ų4336.2 Ų36.230%0.30121%0.212SC..G310 helixtrans-49.6-42.1174.350.50000112.7L420 H421 L425 H426L420-S423 WeakPolarHBondContact O-CB 3.31Å; L420-S423 PolarHBondContact O-N 3.25Å; L420-S423 PolarHBondContact O-OG 3.35Å; H421-S423 VanDerWaalsContact C-N 3.35Å; S423-L425 VanDerWaalsContact C-N 3.29Å; S423-L425 PolarHBondContact O-N 2.81Å; S423-H426 VanDerWaalsContact O-CB 3.31Å; S423-H426 WeakPolarHBondContact O-CB 3.31Å; S423-H426 PolarHBondContact O-N 2.98Å
424D94.6Very high95.5Very high124 Ų12436.2 Ų36.266%0.66321%0.212SC*.G310 helixtrans-77.4-21.1-169.3-54.8-4.9000111.5Y422 H426 E428Y422-D424 PolarHBondContact O-N 3.44Å; D424-H426 VanDerWaalsContact C-N 3.26Å; D424-H426 PolarHBondContact O-N 3.22Å; D424-E428 WeakPolarHBondContact O-CG 3.29Å
425L95.9Very high95.5Very high12 Ų1236.3 Ų36.36%0.06321%0.213CC..G310 helixtrans-74.4-16174.4-59.5178000112.4Y422 S423 G427 E428 I429 L434 L437 K559Y422-L425 HydrophobicContact CD1-CD1 3.91Å; Y422-L425 HydrophobicContact CG-CD1 4.16Å; Y422-L425 PolarHBondContact O-N 3.4Å; S423-L425 VanDerWaalsContact C-N 3.29Å; S423-L425 PolarHBondContact O-N 2.81Å; L425-G427 PolarHBondContact O-N 2.75Å; L425-G427 VanDerWaalsContact O-N 3.17Å; L425-E428 PolarHBondContact O-N 2.77Å; L425-I429 HydrophobicContact CB-CD1 4.17Å; L425-I429 HydrophobicContact CB-CG1 4.17Å; L425-I429 HydrophobicContact CD1-CD1 4.44Å; L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.72Å; L425-L434 HydrophobicContact CB-CD1 4.22Å; L425-L437 HydrophobicContact CD1-CD2 3.65Å; L425-K559 HydrophobicContact CD1-CG 4.29Å
426H95.6Very high95.7Very high79 Ų7935.4 Ų35.437%0.36621%0.207SC..BIsolated β-bridgetrans-70.1111-179.2174.3-99.6000111.5L410 S423 D424 L434L410-H426 HydrophobicContact CD1-CB 4.3Å; L410-H426 HydrophobicContact CD2-CB 3.56Å; S423-H426 VanDerWaalsContact O-CB 3.31Å; S423-H426 WeakPolarHBondContact O-CB 3.31Å; S423-H426 PolarHBondContact O-N 2.98Å; D424-H426 VanDerWaalsContact C-N 3.26Å; D424-H426 PolarHBondContact O-N 3.22Å; H426-L434 HydrophobicContact CB-CD2 3.82Å
427G93.3Very high95.7Very high68 Ų6835.4 Ų35.470%0.70121%0.207SC*.THydrogen-bonded Turntrans96.4-16.5-172.800000113.9L425L425-G427 PolarHBondContact O-N 2.75Å; L425-G427 VanDerWaalsContact O-N 3.17Å
428E95.2Very high95.9Very high137 Ų13735.4 Ų35.464%0.6421%0.207SC*.THydrogen-bonded Turntrans-81-45.4167-62.5-168153.600111.2D424 L425D424-E428 WeakPolarHBondContact O-CG 3.29Å; L425-E428 PolarHBondContact O-N 2.77Å
429I95.6Very high96.1Very high9 Ų933 Ų335%0.04619%0.194CC..BIsolated β-bridgetrans-107.4160172.667.5175.3000110.6L425 L433 L434 L556L425-I429 HydrophobicContact CB-CD1 4.17Å; L425-I429 HydrophobicContact CB-CG1 4.17Å; L425-I429 HydrophobicContact CD1-CD1 4.44Å; L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.72Å; I429-L433 HydrophobicContact CD1-CB 4.38Å; I429-L434 HydrophobicContact CD1-CB 4Å; I429-L434 HydrophobicContact CD1-CD1 4.37Å; I429-L434 HydrophobicContact CG1-CB 4.13Å; I429-L556 HydrophobicContact CD1-CD2 3.69Å
430G95.1Very high96.3Very high28 Ų2833 Ų3329%0.28919%0.194SC..  trans-68.4141.2177.500000112.1S432 L433 L434G430-S432 PolarHBondContact O-N 2.98Å; G430-L433 WeakPolarHBondContact O-CA 3.21Å; G430-L433 WeakPolarHBondContact O-CB 3.1Å; G430-L433 PolarHBondContact O-N 3.46Å; G430-L434 PolarHBondContact O-N 3.06Å
431D96.8Very high96.4Very high46 Ų4630.4 Ų30.425%0.24618%0.181CC..Hα-helixtrans-50-36.7-174.9-55.3-14.5000114.2L434 A435 L510 P511 A514D431-L434 PolarHBondContact O-N 3.48Å; D431-A435 WeakPolarHBondContact O-CB 3.42Å; D431-A435 PolarHBondContact O-N 2.92Å; D431-L510 HydrophobicContact CB-CD2 4.47Å; D431-P511 VanDerWaalsContact OD2-CD 3.23Å; D431-P511 WeakPolarHBondContact OD2-CD 3.47Å; D431-P511 WeakPolarHBondContact OD2-CG 3.4Å; D431-A514 HydrophobicContact CB-CB 3.49Å; D431-A514 VanDerWaalsContact CB-CB 3.49Å
432S96.7Very high96.7Very high17 Ų1727.2 Ų27.212%0.11917%0.166CC..Hα-helixtrans-71.8-30177.762.80000113.3G430 A436 A514 Q519G430-S432 PolarHBondContact O-N 2.98Å; S432-A436 VanDerWaalsContact O-CB 3.29Å; S432-A436 WeakPolarHBondContact O-CB 3.13Å; S432-A436 PolarHBondContact O-N 2.86Å; S432-A514 WeakPolarHBondContact CA-O 3.38Å; S432-A514 VanDerWaalsContact CB-O 3.25Å; S432-A514 WeakPolarHBondContact CB-O 3.3Å; S432-Q519 PolarHBondContact OG-O 2.88Å
433L97.3Very high96.8Very high1 Ų127.1 Ų27.11%0.00517%0.166CC..Hα-helixtrans-76.5-35.5172.1-66.6178.7000111.7I429 G430 A436 L437 A462 V463 L556I429-L433 HydrophobicContact CD1-CB 4.38Å; G430-L433 WeakPolarHBondContact O-CA 3.21Å; G430-L433 WeakPolarHBondContact O-CB 3.1Å; G430-L433 PolarHBondContact O-N 3.46Å; L433-A436 PolarHBondContact O-N 3.1Å; L433-L437 WeakPolarHBondContact O-CB 3.33Å; L433-L437 PolarHBondContact O-N 3.04Å; L433-A462 HydrophobicContact CD2-CB 4.4Å; L433-V463 HydrophobicContact CD2-CG2 3.97Å; L433-L556 HydrophobicContact CB-CD1 4.46Å; L433-L556 HydrophobicContact CD2-CD1 4.39Å
434L97.9Very high96.9Very high0 Ų025.1 Ų25.10%015%0.151CC..Hα-helixtrans-62.1-48.2171178.861.4000110.5L425 H426 I429 G430 D431 A436 L437 C438 L510L425-L434 HydrophobicContact CB-CD1 4.22Å; H426-L434 HydrophobicContact CB-CD2 3.82Å; I429-L434 HydrophobicContact CD1-CB 4Å; I429-L434 HydrophobicContact CD1-CD1 4.37Å; I429-L434 HydrophobicContact CG1-CB 4.13Å; G430-L434 PolarHBondContact O-N 3.06Å; D431-L434 PolarHBondContact O-N 3.48Å; L434-A436 PolarHBondContact O-N 2.94Å; L434-L437 PolarHBondContact O-N 3.31Å; L434-C438 PolarHBondContact O-N 2.88Å; L434-C438 PolarHBondContact O-SG 3.33Å; L434-L510 HydrophobicContact CD2-CD2 4.41Å
435A97.8Very high97Very high2 Ų221.2 Ų21.22%0.01713%0.13CC..Hα-helixtrans-60-43.8175.700000112.4D431 C438 L439 L499 L510 L515D431-A435 WeakPolarHBondContact O-CB 3.42Å; D431-A435 PolarHBondContact O-N 2.92Å; A435-C438 PolarHBondContact O-N 3.31Å; A435-L439 WeakPolarHBondContact O-CB 3.31Å; A435-L439 PolarHBondContact O-N 2.93Å; A435-L499 HydrophobicContact CB-CD1 4.17Å; A435-L510 HydrophobicContact CB-CD1 4.5Å; A435-L515 HydrophobicContact CB-CD2 3.42Å; A435-L515 VanDerWaalsContact CB-CD2 3.42Å
436A98Very high96.9Very high2 Ų223.5 Ų23.52%0.01714%0.141CC..Hα-helixtrans-60.2-47.1174.200000111.8S432 L433 L434 L439 V440 A462 Y492S432-A436 VanDerWaalsContact O-CB 3.29Å; S432-A436 WeakPolarHBondContact O-CB 3.13Å; S432-A436 PolarHBondContact O-N 2.86Å; L433-A436 PolarHBondContact O-N 3.1Å; L434-A436 PolarHBondContact O-N 2.94Å; A436-L439 PolarHBondContact O-N 2.81Å; A436-V440 VanDerWaalsContact O-CG2 3.3Å; A436-V440 WeakPolarHBondContact O-CG2 3.4Å; A436-V440 PolarHBondContact O-N 2.83Å; A436-A462 HydrophobicContact CB-CB 4.02Å; A436-Y492 VanDerWaalsContact CB-OH 3.29Å; A436-Y492 WeakPolarHBondContact CB-OH 3.27Å
437L98.4Very high96.9Very high0 Ų019.9 Ų19.90%012%0.124CC..Hα-helixtrans-59.4-50.1177.3178.664.1000111.5Y422 L425 L433 L434 L439 V440 T441 L556 K559 L560Y422-L437 HydrophobicContact CD1-CD2 4.21Å; Y422-L437 HydrophobicContact CD2-CD2 3.91Å; Y422-L437 HydrophobicContact CD2-CG 4Å; Y422-L437 HydrophobicContact CE1-CD2 4.13Å; Y422-L437 HydrophobicContact CE2-CD1 4.3Å; Y422-L437 HydrophobicContact CE2-CD2 3.84Å; Y422-L437 HydrophobicContact CE2-CG 3.59Å; Y422-L437 HydrophobicContact CG-CD2 4.12Å; L425-L437 HydrophobicContact CD1-CD2 3.65Å; L433-L437 WeakPolarHBondContact O-CB 3.33Å; L433-L437 PolarHBondContact O-N 3.04Å; L434-L437 PolarHBondContact O-N 3.31Å; L437-L439 VanDerWaalsContact C-N 3.27Å; L437-L439 PolarHBondContact O-N 3.44Å; L437-V440 PolarHBondContact O-N 2.81Å; L437-T441 VanDerWaalsContact O-CB 3.3Å; L437-T441 WeakPolarHBondContact O-CB 3.3Å; L437-T441 PolarHBondContact O-N 2.95Å; L437-T441 PolarHBondContact O-OG1 3.39Å; L437-T441 VanDerWaalsContact O-OG1 3.11Å; L437-L556 HydrophobicContact CB-CD2 4.23Å; L437-L556 HydrophobicContact CD1-CB 4.36Å; L437-L556 HydrophobicContact CD1-CD2 4.5Å; L437-L556 WeakPolarHBondContact CD1-O 3.43Å; L437-L556 HydrophobicContact CD2-CD2 3.91Å; L437-L556 HydrophobicContact CG-CD2 4.43Å; L437-K559 HydrophobicContact CD2-CB 4.4Å; L437-L560 HydrophobicContact CD1-CB 4.05Å
438C98.3Very high96.9Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-54.6-44176-68.20000112L414 C419 L434 A435 Y442L414-C438 WeakPolarHBondContact CD2-SG 3.14Å; C419-C438 HydrophobicContact CB-CB 4.3Å; L434-C438 PolarHBondContact O-N 2.88Å; L434-C438 PolarHBondContact O-SG 3.33Å; A435-C438 PolarHBondContact O-N 3.31Å; C438-Y442 VanDerWaalsContact O-CB 3.3Å; C438-Y442 WeakPolarHBondContact O-CB 3.47Å; C438-Y442 PolarHBondContact O-N 2.92Å
439L98.5Very high96.8Very high0 Ų018.5 Ų18.50%010%0.102CC..Hα-helixtrans-70.7-45.7-179.2178.259.6000112.8Y337 F417 A435 A436 L437 Y442 I443 Y492 L496 L499Y337-L439 HydrophobicContact CE1-CD1 3.87Å; F417-L439 HydrophobicContact CE1-CD1 4.47Å; A435-L439 WeakPolarHBondContact O-CB 3.31Å; A435-L439 PolarHBondContact O-N 2.93Å; A436-L439 PolarHBondContact O-N 2.81Å; L437-L439 VanDerWaalsContact C-N 3.27Å; L437-L439 PolarHBondContact O-N 3.44Å; L439-Y442 PolarHBondContact O-N 3.43Å; L439-I443 HydrophobicContact CD1-CD1 3.88Å; L439-I443 HydrophobicContact CD1-CG1 4.02Å; L439-I443 HydrophobicContact CG-CD1 3.87Å; L439-I443 HydrophobicContact CG-CG1 4.44Å; L439-I443 VanDerWaalsContact O-CG1 3.28Å; L439-I443 WeakPolarHBondContact O-CG1 3.29Å; L439-I443 PolarHBondContact O-N 3.07Å; L439-Y492 HydrophobicContact CD2-CD1 4.2Å; L439-Y492 HydrophobicContact CD2-CD2 3.87Å; L439-Y492 HydrophobicContact CD2-CE1 4.15Å; L439-Y492 HydrophobicContact CD2-CE2 3.83Å; L439-Y492 HydrophobicContact CD2-CG 4.06Å; L439-Y492 WeakPolarHBondContact CD2-O 3.24Å; L439-Y492 HydrophobicContact CG-CD2 4.34Å; L439-Y492 HydrophobicContact CG-CE2 4.29Å; L439-L496 HydrophobicContact CD2-CD2 4.16Å; L439-L496 HydrophobicContact CD2-CG 4.31Å; L439-L499 HydrophobicContact CB-CD1 3.84Å; L439-L499 HydrophobicContact CB-CG 4.43Å; L439-L499 HydrophobicContact CD2-CD1 4.05Å; L439-L499 HydrophobicContact CG-CD1 4.44Å
440V98.4Very high96.8Very high0 Ų018.2 Ų18.20%010%0.1CC..Hα-helixtrans-64.8-43.7179.3-177.50000110.2A436 L437 Y442 I443 V444 V455 Y458 L459 Y492 L560A436-V440 VanDerWaalsContact O-CG2 3.3Å; A436-V440 WeakPolarHBondContact O-CG2 3.4Å; A436-V440 PolarHBondContact O-N 2.83Å; L437-V440 PolarHBondContact O-N 2.81Å; V440-Y442 VanDerWaalsContact C-N 3.34Å; V440-Y442 PolarHBondContact O-N 3.06Å; V440-I443 PolarHBondContact O-N 3.06Å; V440-V444 HydrophobicContact CG1-CG2 4.33Å; V440-V444 WeakPolarHBondContact O-CB 3.47Å; V440-V444 VanDerWaalsContact O-CG2 3.26Å; V440-V444 WeakPolarHBondContact O-CG2 3.44Å; V440-V444 PolarHBondContact O-N 2.85Å; V440-V455 HydrophobicContact CG1-CG1 4.22Å; V440-Y458 HydrophobicContact CG1-CD2 4.07Å; V440-Y458 HydrophobicContact CG1-CG 4.48Å; V440-Y458 HydrophobicContact CG2-CD2 4.36Å; V440-Y458 HydrophobicContact CG2-CG 4.09Å; V440-L459 HydrophobicContact CB-CD2 4.39Å; V440-L459 HydrophobicContact CG1-CD2 4.49Å; V440-L459 HydrophobicContact CG2-CD2 4.28Å; V440-Y492 HydrophobicContact CG2-CD2 4.37Å; V440-Y492 HydrophobicContact CG2-CE2 3.78Å; V440-L560 HydrophobicContact CB-CD1 4.12Å; V440-L560 HydrophobicContact CG1-CD1 3.65Å
441T98.3Very high96.9Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-58-45.9173.5-66.10000111.1Y422 L437 V444 L445 L560 T563Y422-T441 HydrophobicContact CE2-CG2 4.17Å; Y422-T441 WeakPolarHBondContact OH-CG2 3.21Å; Y422-T441 PolarHBondContact OH-OG1 3.47Å; L437-T441 VanDerWaalsContact O-CB 3.3Å; L437-T441 WeakPolarHBondContact O-CB 3.3Å; L437-T441 PolarHBondContact O-N 2.95Å; L437-T441 PolarHBondContact O-OG1 3.39Å; L437-T441 VanDerWaalsContact O-OG1 3.11Å; T441-V444 PolarHBondContact O-N 2.81Å; T441-L445 HydrophobicContact CG2-CD1 3.98Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.45Å; T441-L445 PolarHBondContact O-N 2.91Å; T441-L445 VanDerWaalsContact O-N 3.08Å; T441-L560 WeakPolarHBondContact OG1-CD1 3.38Å; T441-L560 WeakPolarHBondContact OG1-CG 3.41Å; T441-T563 HydrophobicContact CG2-CG2 3.76Å
442Y98.3Very high96.9Very high2 Ų217.5 Ų17.51%0.0089%0.088CC..Hα-helixtrans-59.3-50.6175.9179.3-90000112.1V336 Y337 C340 F417 C438 L439 V440 V444 L445 Q446V336-Y442 HydrophobicContact CG1-CE1 4.41Å; V336-Y442 VanDerWaalsContact O-CE1 3.26Å; V336-Y442 WeakPolarHBondContact O-CE1 3.47Å; V336-Y442 PolarHBondContact O-OH 2.8Å; Y337-Y442 HydrophobicContact CD1-CD1 4.12Å; Y337-Y442 AromaticContact CD1-CE1 3.55Å; Y337-Y442 HydrophobicContact CD1-CE1 3.55Å; Y337-Y442 AromaticContact CE1-CD1 3.94Å; Y337-Y442 HydrophobicContact CE1-CD1 3.94Å; Y337-Y442 AromaticContact CE1-CE1 3.82Å; Y337-Y442 HydrophobicContact CE1-CE1 3.82Å; C340-Y442 HydrophobicContact CB-CE1 4.49Å; C340-Y442 HydrophobicContact CB-CE2 4.11Å; C340-Y442 PolarHBondContact N-OH 2.85Å; F417-Y442 HydrophobicContact CB-CD2 4.29Å; F417-Y442 HydrophobicContact CD1-CD1 4.23Å; F417-Y442 AromaticContact CD1-CD2 3.79Å; F417-Y442 HydrophobicContact CD1-CD2 3.79Å; F417-Y442 HydrophobicContact CD1-CE2 4.44Å; F417-Y442 AromaticContact CD1-CG 3.67Å; F417-Y442 HydrophobicContact CD1-CG 3.67Å; F417-Y442 HydrophobicContact CE1-CD1 4.47Å; F417-Y442 HydrophobicContact CE1-CG 4.34Å; F417-Y442 HydrophobicContact CG-CD2 4.46Å; C438-Y442 VanDerWaalsContact O-CB 3.3Å; C438-Y442 WeakPolarHBondContact O-CB 3.47Å; C438-Y442 PolarHBondContact O-N 2.92Å; L439-Y442 PolarHBondContact O-N 3.43Å; V440-Y442 VanDerWaalsContact C-N 3.34Å; V440-Y442 PolarHBondContact O-N 3.06Å; Y442-V444 VanDerWaalsContact C-N 3.32Å; Y442-V444 PolarHBondContact O-N 3.48Å; Y442-L445 PolarHBondContact O-N 3.39Å; Y442-L445 VanDerWaalsContact O-N 3.15Å; Y442-Q446 HydrophobicContact CD1-CG 4Å; Y442-Q446 HydrophobicContact CD2-CG 4.44Å; Y442-Q446 HydrophobicContact CE1-CG 3.54Å; Y442-Q446 HydrophobicContact CE2-CG 4.07Å; Y442-Q446 HydrophobicContact CG-CG 4.41Å; Y442-Q446 WeakPolarHBondContact O-CG 3.42Å; Y442-Q446 PolarHBondContact O-N 2.62Å
443I97.9Very high97Very high0 Ų017.5 Ų17.50%09%0.086CC..Hα-helixtrans-60.1-42.8180-61.2164.5000110.7Y337 L439 V440 L445 Q446 V447 L450 L491 Y492Y337-I443 HydrophobicContact CE1-CG1 4.44Å; Y337-I443 WeakPolarHBondContact OH-CD1 3.37Å; L439-I443 HydrophobicContact CD1-CD1 3.88Å; L439-I443 HydrophobicContact CD1-CG1 4.02Å; L439-I443 HydrophobicContact CG-CD1 3.87Å; L439-I443 HydrophobicContact CG-CG1 4.44Å; L439-I443 VanDerWaalsContact O-CG1 3.28Å; L439-I443 WeakPolarHBondContact O-CG1 3.29Å; L439-I443 PolarHBondContact O-N 3.07Å; V440-I443 PolarHBondContact O-N 3.06Å; I443-L445 VanDerWaalsContact C-N 3.28Å; I443-L445 PolarHBondContact O-N 3.38Å; I443-Q446 PolarHBondContact O-N 2.82Å; I443-Q446 VanDerWaalsContact O-N 3.13Å; I443-V447 HydrophobicContact CG2-CG2 4.14Å; I443-V447 WeakPolarHBondContact O-CB 3.33Å; I443-V447 PolarHBondContact O-N 2.83Å; I443-L450 HydrophobicContact CG2-CD1 3.71Å; I443-L491 HydrophobicContact CG2-CD2 3.8Å; I443-Y492 HydrophobicContact CD1-CD2 4.39Å
444V97.1Very high97Very high0 Ų017.5 Ų17.50%09%0.086CC..Hα-helixtrans-61.1-34.6177.71660000113.1V440 T441 Y442 L450 V455 L560 C564 R569 L571V440-V444 HydrophobicContact CG1-CG2 4.33Å; V440-V444 WeakPolarHBondContact O-CB 3.47Å; V440-V444 VanDerWaalsContact O-CG2 3.26Å; V440-V444 WeakPolarHBondContact O-CG2 3.44Å; V440-V444 PolarHBondContact O-N 2.85Å; T441-V444 PolarHBondContact O-N 2.81Å; Y442-V444 VanDerWaalsContact C-N 3.32Å; Y442-V444 PolarHBondContact O-N 3.48Å; V444-L450 HydrophobicContact CG2-CD1 3.92Å; V444-V455 HydrophobicContact CG2-CG2 3.35Å; V444-L560 HydrophobicContact CG1-CD2 4.49Å; V444-L560 HydrophobicContact CG2-CD1 4.47Å; V444-C564 VanDerWaalsContact CG1-SG 3.56Å; V444-R569 HydrophobicContact CG1-CG 4.23Å; V444-R569 PolarHBondContact O-NE 3.23Å; V444-L571 HydrophobicContact CG1-CD1 4.24Å; V444-L571 HydrophobicContact CG1-CD2 3.83Å; V444-L571 HydrophobicContact CG1-CG 4.16Å
445L96Very high97Very high42 Ų4217.5 Ų17.522%0.229%0.086CC..Hα-helixtrans-80-21.9176.6-67.1174.1000113.2T441 Y442 I443 T563 R567 R569T441-L445 HydrophobicContact CG2-CD1 3.98Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.45Å; T441-L445 PolarHBondContact O-N 2.91Å; T441-L445 VanDerWaalsContact O-N 3.08Å; Y442-L445 PolarHBondContact O-N 3.39Å; Y442-L445 VanDerWaalsContact O-N 3.15Å; I443-L445 VanDerWaalsContact C-N 3.28Å; I443-L445 PolarHBondContact O-N 3.38Å; L445-T563 HydrophobicContact CD1-CG2 4.29Å; L445-R567 HydrophobicContact CD1-CG 4.47Å; L445-R567 HydrophobicContact CD2-CB 3.82Å; L445-R567 HydrophobicContact CD2-CG 4.17Å; L445-R569 HydrophobicContact CD2-CB 4.03Å; L445-R569 HydrophobicContact CD2-CG 4.39Å
446Q95.6Very high97Very high61 Ų6117.7 Ų17.729%0.2859%0.087SC..Hα-helixtrans-94.4-21.1176.1-62.3-49.7-79.500113.9V336 Y442 I443V336-Q446 HydrophobicContact CG1-CB 4.05Å; Y442-Q446 HydrophobicContact CD1-CG 4Å; Y442-Q446 HydrophobicContact CD2-CG 4.44Å; Y442-Q446 HydrophobicContact CE1-CG 3.54Å; Y442-Q446 HydrophobicContact CE2-CG 4.07Å; Y442-Q446 HydrophobicContact CG-CG 4.41Å; Y442-Q446 WeakPolarHBondContact O-CG 3.42Å; Y442-Q446 PolarHBondContact O-N 2.62Å; I443-Q446 PolarHBondContact O-N 2.82Å; I443-Q446 VanDerWaalsContact O-N 3.13Å
447V95.3Very high97.1Very high3 Ų317.6 Ų17.62%0.0189%0.086CC..  trans-123.598.5-173.8-176.90000110.1L330 V336 I443 A449 L450 R569L330-V447 HydrophobicContact CD2-CG1 3.88Å; V336-V447 HydrophobicContact CG1-CG2 4.26Å; V336-V447 HydrophobicContact CG2-CG2 3.77Å; I443-V447 HydrophobicContact CG2-CG2 4.14Å; I443-V447 WeakPolarHBondContact O-CB 3.33Å; I443-V447 PolarHBondContact O-N 2.83Å; V447-A449 VanDerWaalsContact C-N 3.26Å; V447-A449 PolarHBondContact O-N 3.01Å; V447-L450 HydrophobicContact CB-CG 4.07Å; V447-L450 HydrophobicContact CG1-CD2 4.17Å; V447-L450 HydrophobicContact CG1-CG 3.94Å; V447-L450 PolarHBondContact O-N 3.02Å; V447-R569 PolarHBondContact O-NH2 3.38Å
448E92.4Very high97.1Very high163 Ų16317.6 Ų17.676%0.7629%0.086SC*.THydrogen-bonded Turntrans-63.6-29.3-177.9-62.9-171.3175.200113.5L450 R569E448-L450 PolarHBondContact O-N 2.9Å; E448-R569 VanDerWaalsContact C-NH2 3.32Å; E448-R569 VanDerWaalsContact O-CZ 3.3Å; E448-R569 PolarHBondContact O-NH1 3.24Å; E448-R569 PolarHBondContact O-NH2 3.46Å
449A93.8Very high97.1Very high13 Ų1317.7 Ų17.711%0.1079%0.087CC..THydrogen-bonded Turntrans-780.1179.100000114.4D329 V447 R484D329-A449 HydrophobicContact CB-CB 3.75Å; D329-A449 WeakPolarHBondContact O-CB 3.29Å; V447-A449 VanDerWaalsContact C-N 3.26Å; V447-A449 PolarHBondContact O-N 3.01Å; A449-R484 PolarHBondContact O-NH2 3.47Å
450L95.8Very high97.1Very high2 Ų217.7 Ų17.71%0.019%0.087CC..  trans-69.5137.2169.2-71.7-158.3000111.3L330 I443 V444 V447 E448 D454 Y458 L488 R569L330-L450 HydrophobicContact CD2-CD2 4.24Å; I443-L450 HydrophobicContact CG2-CD1 3.71Å; V444-L450 HydrophobicContact CG2-CD1 3.92Å; V447-L450 HydrophobicContact CB-CG 4.07Å; V447-L450 HydrophobicContact CG1-CD2 4.17Å; V447-L450 HydrophobicContact CG1-CG 3.94Å; V447-L450 PolarHBondContact O-N 3.02Å; E448-L450 PolarHBondContact O-N 2.9Å; L450-D454 HydrophobicContact CD2-CB 4.02Å; L450-Y458 HydrophobicContact CD1-CE2 4.28Å; L450-L488 HydrophobicContact CD2-CD2 3.61Å; L450-R569 PolarHBondContact O-NH2 2.79Å
451S96.4Very high97Very high0 Ų017.7 Ų17.70%09%0.087CC..BIsolated β-bridgetrans-101.9169.5178.363.50000112E453 D454 V455 H534 Q572S451-E453 WeakPolarHBondContact CB-OE2 3.04Å; S451-E453 PolarHBondContact O-N 2.89Å; S451-E453 PolarHBondContact OG-OE2 2.92Å; S451-D454 WeakPolarHBondContact CB-OD2 3.2Å; S451-D454 PolarHBondContact N-OD2 3.1Å; S451-D454 PolarHBondContact O-N 3.48Å; S451-D454 PolarHBondContact OG-N 3.36Å; S451-D454 PolarHBondContact OG-OD2 2.99Å; S451-V455 PolarHBondContact O-N 3.33Å; S451-H534 PolarHBondContact OG-CE1 3.25Å; S451-Q572 WeakPolarHBondContact CA-O 3.31Å; S451-Q572 WeakPolarHBondContact CB-O 3.47Å
452E97.1Very high97Very high59 Ų5917.9 Ų17.928%0.2769%0.088SC..Hα-helixtrans-60.1-36.7171.4-74.6-157.7-132.400112.6V455 D456 K557 L571 Q572E452-V455 PolarHBondContact O-N 3.45Å; E452-D456 WeakPolarHBondContact O-CB 3.3Å; E452-D456 PolarHBondContact O-N 3.26Å; E452-K557 IonicContact OE2-NZ 2.74Å; E452-K557 PolarHBondContact OE2-NZ 2.86Å; E452-L571 HydrophobicContact CG-CB 3.89Å; E452-Q572 PolarHBondContact N-O 2.74Å; E452-Q572 VanDerWaalsContact N-O 3.14Å
453E97.9Very high96.9Very high18 Ų1817.8 Ų17.88%0.0849%0.088CC..Hα-helixtrans-69.8-35.8-179.1-61.476.7-168.100111.8S451 V455 D456 A457 A533 H534 S573 R574S451-E453 WeakPolarHBondContact CB-OE2 3.04Å; S451-E453 PolarHBondContact O-N 2.89Å; S451-E453 PolarHBondContact OG-OE2 2.92Å; E453-V455 VanDerWaalsContact C-N 3.33Å; E453-V455 PolarHBondContact O-N 2.89Å; E453-D456 PolarHBondContact O-N 3.2Å; E453-A457 WeakPolarHBondContact O-CB 3.29Å; E453-A457 PolarHBondContact O-N 2.93Å; E453-A533 HydrophobicContact CB-CB 4.23Å; E453-A533 WeakPolarHBondContact O-CB 3.3Å; E453-H534 VanDerWaalsContact CB-CE1 3.41Å; E453-H534 WeakPolarHBondContact CB-CE1 3.42Å; E453-H534 WeakPolarHBondContact CB-ND1 3.39Å; E453-S573 WeakPolarHBondContact OE1-CA 3.24Å; E453-S573 VanDerWaalsContact OE1-CB 3.31Å; E453-S573 WeakPolarHBondContact OE1-CB 3.49Å; E453-S573 PolarHBondContact OE1-OG 3.39Å; E453-S573 WeakPolarHBondContact OE2-CA 3.42Å; E453-R574 PolarHBondContact OE2-N 3.34Å
454D97.9Very high96.9Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-63-40.3172.6-58.5-66.4000110.5L450 S451 Y458 R484 L488 H534L450-D454 HydrophobicContact CD2-CB 4.02Å; S451-D454 WeakPolarHBondContact CB-OD2 3.2Å; S451-D454 PolarHBondContact N-OD2 3.1Å; S451-D454 PolarHBondContact O-N 3.48Å; S451-D454 PolarHBondContact OG-N 3.36Å; S451-D454 PolarHBondContact OG-OD2 2.99Å; D454-Y458 VanDerWaalsContact O-CD2 3.23Å; D454-Y458 WeakPolarHBondContact O-CD2 3.19Å; D454-Y458 PolarHBondContact O-N 3.24Å; D454-R484 IonicContact OD1-CZ 2.69Å; D454-R484 IonicContact OD1-NE 3.21Å; D454-R484 PolarHBondContact OD1-NE 2.71Å; D454-R484 IonicContact OD1-NH2 3.94Å; D454-R484 PolarHBondContact OD1-NH2 2.74Å; D454-R484 IonicContact OD2-CZ 2.77Å; D454-R484 IonicContact OD2-NE 3.75Å; D454-R484 IonicContact OD2-NH2 3.86Å; D454-R484 PolarHBondContact OD2-NH2 3.32Å; D454-L488 HydrophobicContact CB-CD1 4.26Å; D454-L488 WeakPolarHBondContact OD1-CD1 3.23Å; D454-H534 IonicContact OD1-CE1 2.9Å; D454-H534 IonicContact OD1-NE2 2.6Å; D454-H534 PolarHBondContact OD1-NE2 3.3Å
455V98.3Very high96.9Very high0 Ų018.3 Ų18.30%09%0.09CC..Hα-helixtrans-68.5-43.6176.8173.70000111.5V440 V444 S451 E452 E453 A457 Y458 L459 L560 L571V440-V455 HydrophobicContact CG1-CG1 4.22Å; V444-V455 HydrophobicContact CG2-CG2 3.35Å; S451-V455 PolarHBondContact O-N 3.33Å; E452-V455 PolarHBondContact O-N 3.45Å; E453-V455 VanDerWaalsContact C-N 3.33Å; E453-V455 PolarHBondContact O-N 2.89Å; V455-A457 VanDerWaalsContact C-N 3.26Å; V455-A457 PolarHBondContact O-N 2.82Å; V455-Y458 PolarHBondContact O-N 3.34Å; V455-L459 HydrophobicContact CG1-CD1 3.88Å; V455-L459 HydrophobicContact CG1-CG 4.28Å; V455-L459 PolarHBondContact O-N 2.68Å; V455-L560 HydrophobicContact CG1-CD1 4.03Å; V455-L560 HydrophobicContact CG1-CD2 4.12Å; V455-L571 HydrophobicContact CG2-CD1 4.01Å; V455-L571 HydrophobicContact CG2-CD2 4.31Å
456D98.4Very high96.6Very high7 Ų722.2 Ų22.24%0.03710%0.102CC..Hα-helixtrans-59.5-39177.9-72.6-18.3000111E452 E453 S460 A533 K539 L542 F553 K557E452-D456 WeakPolarHBondContact O-CB 3.3Å; E452-D456 PolarHBondContact O-N 3.26Å; E453-D456 PolarHBondContact O-N 3.2Å; D456-S460 WeakPolarHBondContact O-CB 3.39Å; D456-S460 PolarHBondContact O-N 3.01Å; D456-S460 PolarHBondContact O-OG 3.36Å; D456-A533 HydrophobicContact CB-CB 4.14Å; D456-K539 IonicContact OD1-NZ 2.7Å; D456-K539 IonicContact OD2-NZ 3.91Å; D456-K539 PolarHBondContact OD2-NZ 3.43Å; D456-L542 HydrophobicContact CB-CD2 4.03Å; D456-F553 HydrophobicContact CB-CZ 4.23Å; D456-F553 WeakPolarHBondContact OD1-CZ 3.37Å; D456-K557 VanDerWaalsContact OD1-CD 3.23Å; D456-K557 WeakPolarHBondContact OD1-CD 3.48Å; D456-K557 VanDerWaalsContact OD1-CE 3.24Å; D456-K557 WeakPolarHBondContact OD1-CE 3.37Å; D456-K557 IonicContact OD1-NZ 2.73Å; D456-K557 PolarHBondContact OD1-NZ 3.38Å; D456-K557 IonicContact OD2-NZ 2.72Å; D456-K557 PolarHBondContact OD2-NZ 3.15Å
457A98.4Very high96.4Very high0 Ų023.6 Ų23.60%011%0.111CC..Hα-helixtrans-63.1-44.7174.600000113.1E453 V455 S460 Q461 F526 Y530E453-A457 WeakPolarHBondContact O-CB 3.29Å; E453-A457 PolarHBondContact O-N 2.93Å; V455-A457 VanDerWaalsContact C-N 3.26Å; V455-A457 PolarHBondContact O-N 2.82Å; A457-S460 PolarHBondContact O-OG 2.87Å; A457-Q461 WeakPolarHBondContact O-CG 3.31Å; A457-Q461 PolarHBondContact O-N 2.8Å; A457-F526 HydrophobicContact CB-CD2 4.29Å; A457-F526 HydrophobicContact CB-CE2 3.74Å; A457-Y530 HydrophobicContact CB-CD2 4.21Å
458Y98.6Very high96.4Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-66.9-46.7178.7-73.2-53.7000112.9V440 L450 D454 V455 Q461 A462 L488 Y492 F526V440-Y458 HydrophobicContact CG1-CD2 4.07Å; V440-Y458 HydrophobicContact CG1-CG 4.48Å; V440-Y458 HydrophobicContact CG2-CD2 4.36Å; V440-Y458 HydrophobicContact CG2-CG 4.09Å; L450-Y458 HydrophobicContact CD1-CE2 4.28Å; D454-Y458 VanDerWaalsContact O-CD2 3.23Å; D454-Y458 WeakPolarHBondContact O-CD2 3.19Å; D454-Y458 PolarHBondContact O-N 3.24Å; V455-Y458 PolarHBondContact O-N 3.34Å; Y458-Q461 WeakPolarHBondContact O-CG 3.32Å; Y458-A462 WeakPolarHBondContact O-CB 3.45Å; Y458-A462 PolarHBondContact O-N 3.47Å; Y458-L488 HydrophobicContact CE1-CB 4.41Å; Y458-L488 WeakPolarHBondContact OH-CA 3.39Å; Y458-L488 WeakPolarHBondContact OH-CB 3.43Å; Y458-L488 WeakPolarHBondContact OH-CD2 3.47Å; Y458-L488 PolarHBondContact OH-O 3.07Å; Y458-Y492 AromaticContact CD1-CD2 3.55Å; Y458-Y492 HydrophobicContact CD1-CD2 3.55Å; Y458-Y492 HydrophobicContact CD1-CE2 4.18Å; Y458-Y492 HydrophobicContact CD1-CG 4.15Å; Y458-Y492 AromaticContact CE1-CD2 3.66Å; Y458-Y492 HydrophobicContact CE1-CD2 3.66Å; Y458-Y492 AromaticContact CE1-CG 3.96Å; Y458-Y492 HydrophobicContact CE1-CG 3.96Å; Y458-Y492 HydrophobicContact CG-CD2 4.25Å; Y458-F526 AromaticContact CD1-CD2 3.94Å; Y458-F526 HydrophobicContact CD1-CD2 3.94Å; Y458-F526 AromaticContact CD1-CE2 3.3Å; Y458-F526 HydrophobicContact CD1-CE2 3.3Å; Y458-F526 AromaticContact CD1-CZ 3.85Å; Y458-F526 HydrophobicContact CD1-CZ 3.85Å; Y458-F526 HydrophobicContact CE1-CD2 4.38Å; Y458-F526 HydrophobicContact CE1-CE1 4.39Å; Y458-F526 AromaticContact CE1-CE2 3.56Å; Y458-F526 HydrophobicContact CE1-CE2 3.56Å; Y458-F526 AromaticContact CE1-CZ 3.57Å; Y458-F526 HydrophobicContact CE1-CZ 3.57Å; Y458-F526 AromaticContact CG-CE2 3.96Å; Y458-F526 HydrophobicContact CG-CE2 3.96Å
459L98.4Very high96.5Very high2 Ų220.1 Ų20.11%0.0110%0.099CC..Hα-helixtrans-71.5-41.5-177.1-66.2-179.5000111.5V440 V455 A462 V463 F553 L556 K557V440-L459 HydrophobicContact CB-CD2 4.39Å; V440-L459 HydrophobicContact CG1-CD2 4.49Å; V440-L459 HydrophobicContact CG2-CD2 4.28Å; V455-L459 HydrophobicContact CG1-CD1 3.88Å; V455-L459 HydrophobicContact CG1-CG 4.28Å; V455-L459 PolarHBondContact O-N 2.68Å; L459-A462 PolarHBondContact O-N 3.1Å; L459-V463 WeakPolarHBondContact O-CB 3.4Å; L459-V463 WeakPolarHBondContact O-CG2 3.44Å; L459-V463 PolarHBondContact O-N 2.69Å; L459-V463 VanDerWaalsContact O-N 3.09Å; L459-F553 HydrophobicContact CB-CD2 3.81Å; L459-F553 HydrophobicContact CB-CE2 3.81Å; L459-L556 HydrophobicContact CD1-CB 4.46Å; L459-L556 HydrophobicContact CD2-CB 4.37Å; L459-K557 HydrophobicContact CD1-CB 3.9Å; L459-K557 HydrophobicContact CD1-CG 4.46Å
460S98.3Very high96.4Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-65.2-41178.858.90000112.5D456 A457 C464 K529D456-S460 WeakPolarHBondContact O-CB 3.39Å; D456-S460 PolarHBondContact O-N 3.01Å; D456-S460 PolarHBondContact O-OG 3.36Å; A457-S460 PolarHBondContact O-OG 2.87Å; S460-C464 VanDerWaalsContact O-CB 3.25Å; S460-C464 WeakPolarHBondContact O-CB 3.22Å; S460-C464 PolarHBondContact O-N 3.21Å; S460-C464 PolarHBondContact O-SG 3.33Å; S460-K529 WeakPolarHBondContact OG-CB 3.44Å
461Q97.6Very high96.2Very high0 Ų025.6 Ų25.60%013%0.128CC..Hα-helixtrans-66-42.4176.981.676.434.900111.5A457 Y458 V463 C464 L465 G520 L525 F526 K529A457-Q461 WeakPolarHBondContact O-CG 3.31Å; A457-Q461 PolarHBondContact O-N 2.8Å; Y458-Q461 WeakPolarHBondContact O-CG 3.32Å; Q461-V463 VanDerWaalsContact C-N 3.3Å; Q461-V463 PolarHBondContact O-N 2.65Å; Q461-C464 PolarHBondContact O-N 3.17Å; Q461-L465 WeakPolarHBondContact O-CB 3.48Å; Q461-L465 PolarHBondContact O-N 2.88Å; Q461-G520 PolarHBondContact NE2-O 3.34Å; Q461-L525 HydrophobicContact CB-CD2 4.19Å; Q461-L525 HydrophobicContact CB-CG 4Å; Q461-L525 WeakPolarHBondContact O-CD2 3.32Å; Q461-F526 HydrophobicContact CB-CB 4.29Å; Q461-F526 HydrophobicContact CG-CB 3.87Å; Q461-F526 HydrophobicContact CG-CD2 3.88Å; Q461-F526 HydrophobicContact CG-CG 4.34Å; Q461-K529 HydrophobicContact CB-CB 4.47Å; Q461-K529 HydrophobicContact CB-CG 4.04Å
462A97.3Very high96.1Very high3 Ų329.7 Ų29.73%0.02515%0.147CC..Hα-helixtrans-63.4-37.9-178.500000112L433 A436 Y458 L459L433-A462 HydrophobicContact CD2-CB 4.4Å; A436-A462 HydrophobicContact CB-CB 4.02Å; Y458-A462 WeakPolarHBondContact O-CB 3.45Å; Y458-A462 PolarHBondContact O-N 3.47Å; L459-A462 PolarHBondContact O-N 3.1Å
463V97.2Very high96.1Very high1 Ų127 Ų271%0.00614%0.135CC..Hα-helixtrans-75.6-46.5177.5174.30000111.7L433 L459 Q461 C549 Q552 L556L433-V463 HydrophobicContact CD2-CG2 3.97Å; L459-V463 WeakPolarHBondContact O-CB 3.4Å; L459-V463 WeakPolarHBondContact O-CG2 3.44Å; L459-V463 PolarHBondContact O-N 2.69Å; L459-V463 VanDerWaalsContact O-N 3.09Å; Q461-V463 VanDerWaalsContact C-N 3.3Å; Q461-V463 PolarHBondContact O-N 2.65Å; V463-C549 VanDerWaalsContact CG1-CA 3.46Å; V463-C549 HydrophobicContact CG1-CB 3.68Å; V463-C549 WeakPolarHBondContact CG1-O 3.46Å; V463-Q552 HydrophobicContact CG1-CB 3.95Å; V463-Q552 HydrophobicContact CG2-CB 4.3Å; V463-L556 HydrophobicContact CG2-CD1 3.73Å
464C97.2Very high95.8Very high2 Ų231.6 Ų31.61%0.01415%0.151CC..Hα-helixtrans-68.9-32.7-179.6-70.20000113.5S460 Q461 R466 L467 L525S460-C464 VanDerWaalsContact O-CB 3.25Å; S460-C464 WeakPolarHBondContact O-CB 3.22Å; S460-C464 PolarHBondContact O-N 3.21Å; S460-C464 PolarHBondContact O-SG 3.33Å; Q461-C464 PolarHBondContact O-N 3.17Å; C464-R466 PolarHBondContact O-N 2.92Å; C464-R466 VanDerWaalsContact O-N 3.12Å; C464-L467 PolarHBondContact O-N 3.41Å; C464-L525 HydrophobicContact CB-CD2 4.39Å
465L96.3Very high95.6Very high8 Ų837.2 Ų37.24%0.04218%0.177CC..Hα-helixtrans-53.2-37.3-176.5178.560.3000112.5Q461 L467 K468 L473 F521 D522 L525Q461-L465 WeakPolarHBondContact O-CB 3.48Å; Q461-L465 PolarHBondContact O-N 2.88Å; L465-L467 PolarHBondContact O-N 3.34Å; L465-L467 VanDerWaalsContact O-N 3.11Å; L465-K468 PolarHBondContact O-N 3.31Å; L465-L473 HydrophobicContact CD1-CD1 3.87Å; L465-L473 HydrophobicContact CD1-CD2 4.12Å; L465-F521 VanDerWaalsContact CD2-N 3.28Å; L465-D522 HydrophobicContact CD1-CB 3.73Å; L465-L525 HydrophobicContact CB-CD2 3.76Å; L465-L525 HydrophobicContact CD1-CD2 4.12Å
466R89.9Confident95.5Very high124 Ų12438.5 Ų38.547%0.46818%0.184SC..THydrogen-bonded Turntrans-61.5-19.1-178.9-59179.266.6-146.1-1.4113.9C464 Q552C464-R466 PolarHBondContact O-N 2.92Å; C464-R466 VanDerWaalsContact O-N 3.12Å; R466-Q552 VanDerWaalsContact NH1-OE1 3.08Å
467L93.2Very high95.2Very high91 Ų9145.5 Ų45.548%0.47622%0.217SC..THydrogen-bonded Turntrans-102.8-4.8177.8-56.6-172.8000113.4C464 L465 D546 C549C464-L467 PolarHBondContact O-N 3.41Å; L465-L467 PolarHBondContact O-N 3.34Å; L465-L467 VanDerWaalsContact O-N 3.11Å; L467-D546 HydrophobicContact CD1-CB 4.3Å; L467-C549 WeakPolarHBondContact CD1-SG 2.95Å
468K94.9Very high95Very high46 Ų4646.9 Ų46.920%0.222%0.224CC..  trans-94.2134.8-176.1-57.9-56.3-179.1-173.80112.5L465 L473 L525 D544L465-K468 PolarHBondContact O-N 3.31Å; K468-L473 HydrophobicContact CB-CD1 4.38Å; K468-L473 HydrophobicContact CB-CD2 3.74Å; K468-L473 HydrophobicContact CB-CG 3.85Å; K468-L473 HydrophobicContact CG-CD2 3.98Å; K468-L525 HydrophobicContact CG-CD2 4.45Å; K468-D544 WeakPolarHBondContact CE-OD2 3.47Å; K468-D544 IonicContact NZ-OD2 2.78Å; K468-D544 PolarHBondContact NZ-OD2 3.27Å
469S93.8Very high94.7Very high46 Ų4651 Ų5132%0.32225%0.25SS..  trans-78.4157.316569.10000112.1L471 E472 L473S469-L471 PolarHBondContact O-N 3.24Å; S469-L471 PolarHBondContact OG-N 3.41Å; S469-E472 WeakPolarHBondContact CB-OE2 3.41Å; S469-E472 PolarHBondContact N-OE2 3.06Å; S469-E472 PolarHBondContact O-N 3.38Å; S469-E472 WeakPolarHBondContact OG-CG 3.23Å; S469-E472 PolarHBondContact OG-N 2.98Å; S469-E472 PolarHBondContact OG-OE2 3.26Å; S469-L473 WeakPolarHBondContact O-CG 3.5Å; S469-L473 PolarHBondContact O-N 3.24Å; S469-L473 VanDerWaalsContact O-N 3.15Å
470P91.3Very high94.5Very high32 Ų3251.7 Ų51.721%0.20825%0.254CS..Hα-helixtrans-59.2-16.9171.1-23.833.1000114.5M20 E24 R474M20-P470 HydrophobicContact CE-CG 4.17Å; E24-P470 HydrophobicContact CG-CB 4.4Å; E24-P470 HydrophobicContact CG-CG 4.27Å; P470-R474 WeakPolarHBondContact O-CG 3.19Å; P470-R474 PolarHBondContact O-NE 2.73Å
471L92.4Very high94.3Very high98 Ų9852 Ų5251%0.51326%0.256SS..Hα-helixtrans-79.1-46.8175.2-17861.1000111.1S469 R474 Q475S469-L471 PolarHBondContact O-N 3.24Å; S469-L471 PolarHBondContact OG-N 3.41Å; L471-R474 PolarHBondContact O-N 3.09Å; L471-Q475 WeakPolarHBondContact O-CG 3.45Å; L471-Q475 PolarHBondContact O-N 3.48Å; L471-Q475 VanDerWaalsContact O-N 3.12Å
472E94.8Very high94.2Very high86 Ų8653 Ų5340%0.40226%0.264SS..Hα-helixtrans-61.2-45.4177.3-70.1159.997.200111.3S469 R474 Q475 I476S469-E472 WeakPolarHBondContact CB-OE2 3.41Å; S469-E472 PolarHBondContact N-OE2 3.06Å; S469-E472 PolarHBondContact O-N 3.38Å; S469-E472 WeakPolarHBondContact OG-CG 3.23Å; S469-E472 PolarHBondContact OG-N 2.98Å; S469-E472 PolarHBondContact OG-OE2 3.26Å; E472-R474 VanDerWaalsContact C-N 3.3Å; E472-R474 PolarHBondContact O-N 3.29Å; E472-Q475 PolarHBondContact O-N 2.91Å; E472-I476 PolarHBondContact O-N 3.15Å
473L95.1Very high94.2Very high4 Ų453.7 Ų53.72%0.02127%0.268CS..Hα-helixtrans-56.9-42.4176.6-65.2173.2000112M20 L465 K468 S469 Q475 I476 D522 R524 L525M20-L473 HydrophobicContact CB-CD1 3.7Å; M20-L473 HydrophobicContact CG-CD1 3.95Å; L465-L473 HydrophobicContact CD1-CD1 3.87Å; L465-L473 HydrophobicContact CD1-CD2 4.12Å; K468-L473 HydrophobicContact CB-CD1 4.38Å; K468-L473 HydrophobicContact CB-CD2 3.74Å; K468-L473 HydrophobicContact CB-CG 3.85Å; K468-L473 HydrophobicContact CG-CD2 3.98Å; S469-L473 WeakPolarHBondContact O-CG 3.5Å; S469-L473 PolarHBondContact O-N 3.24Å; S469-L473 VanDerWaalsContact O-N 3.15Å; L473-Q475 VanDerWaalsContact C-N 3.27Å; L473-Q475 PolarHBondContact O-N 3.1Å; L473-I476 HydrophobicContact CD2-CD1 4.07Å; L473-I476 WeakPolarHBondContact O-CB 3.34Å; L473-I476 PolarHBondContact O-N 2.91Å; L473-D522 HydrophobicContact CD1-CB 4.36Å; L473-D522 HydrophobicContact CD2-CB 4.24Å; L473-R524 WeakPolarHBondContact O-CD 3.43Å; L473-L525 HydrophobicContact CD2-CB 3.99Å; L473-L525 HydrophobicContact CD2-CD2 4.24Å
474R92.3Very high94.1Very high113 Ų11354 Ų5443%0.42627%0.269SS..Hα-helixtrans-67.3-24.7175.9-83.3-178.4-72.1177.3-4113.8E21 P470 L471 E472 R524E21-R474 HydrophobicContact CB-CG 4.48Å; E21-R474 VanDerWaalsContact CD-CG 3.5Å; E21-R474 HydrophobicContact CG-CG 4.01Å; E21-R474 WeakPolarHBondContact OE1-CD 3.3Å; P470-R474 WeakPolarHBondContact O-CG 3.19Å; P470-R474 PolarHBondContact O-NE 2.73Å; L471-R474 PolarHBondContact O-N 3.09Å; E472-R474 VanDerWaalsContact C-N 3.3Å; E472-R474 PolarHBondContact O-N 3.29Å; R474-R524 PolarHBondContact O-NH1 3.18Å
475Q94Very high94.1Very high119 Ų11953.9 Ų53.956%0.55627%0.268SS*.Hα-helixtrans-85.8-13.4179.2-72.9175.2-10.200113.5L471 E472 L473 Q477L471-Q475 WeakPolarHBondContact O-CG 3.45Å; L471-Q475 PolarHBondContact O-N 3.48Å; L471-Q475 VanDerWaalsContact O-N 3.12Å; E472-Q475 PolarHBondContact O-N 2.91Å; L473-Q475 VanDerWaalsContact C-N 3.27Å; L473-Q475 PolarHBondContact O-N 3.1Å; Q475-Q477 PolarHBondContact O-N 3.23Å; Q475-Q477 VanDerWaalsContact O-N 3.11Å; Q475-Q477 PolarHBondContact O-NE2 3.01Å
476I95.3Very high94.1Very high26 Ų2653.5 Ų53.513%0.13327%0.266CS..  trans-55.8117.1174.5-62.5177.4000109.9E472 L473 L478 R524 L525E472-I476 PolarHBondContact O-N 3.15Å; L473-I476 HydrophobicContact CD2-CD1 4.07Å; L473-I476 WeakPolarHBondContact O-CB 3.34Å; L473-I476 PolarHBondContact O-N 2.91Å; I476-L478 HydrophobicContact CG2-CD2 4.08Å; I476-R524 HydrophobicContact CB-CB 4.19Å; I476-R524 HydrophobicContact CD1-CB 4.43Å; I476-R524 HydrophobicContact CG2-CB 4.17Å; I476-L525 HydrophobicContact CD1-CB 4.04Å; I476-L525 HydrophobicContact CD1-CD1 3.87Å
477Q92.8Very high94.4Very high155 Ų15548 Ų4872%0.72425%0.246SC*.  trans-91.4127.2174.6-62.1-58.8-37.100109.4Q475 P479Q475-Q477 PolarHBondContact O-N 3.23Å; Q475-Q477 VanDerWaalsContact O-N 3.11Å; Q475-Q477 PolarHBondContact O-NE2 3.01Å; Q477-P479 WeakPolarHBondContact O-CD 3.44Å
478L93.9Very high94.6Very high29 Ų2943.7 Ų43.715%0.15222%0.223CC..  trans-100.2108.1173.9-61.2-179.6000108.3I476 V480 L481 R524 H527I476-L478 HydrophobicContact CG2-CD2 4.08Å; L478-V480 PolarHBondContact O-N 2.86Å; L478-L481 HydrophobicContact CB-CD2 4.05Å; L478-L481 HydrophobicContact CD1-CD2 3.58Å; L478-L481 HydrophobicContact CG-CD2 4.46Å; L478-R524 HydrophobicContact CD1-CG 4.3Å; L478-H527 HydrophobicContact CD1-CB 3.95Å; L478-H527 HydrophobicContact CD2-CB 3.99Å
479P92.4Very high94.8Very high86 Ų8641.5 Ų41.556%0.55821%0.214SC*.SBendtrans-73.3-10.4-174.330.1-36.9000113.7Q477 L531 K580Q477-P479 WeakPolarHBondContact O-CD 3.44Å; P479-L531 HydrophobicContact CG-CD1 4.16Å; P479-K580 PolarHBondContact O-NZ 3.12Å
480V94.3Very high94.9Very high16 Ų1639.3 Ų39.310%0.09720%0.199CC..SBendtrans-166.6150.6174.6630000107.6G78 L478 L531G78-V480 CarbonylContact O-C 3.59Å; L478-V480 PolarHBondContact O-N 2.86Å; V480-L531 HydrophobicContact CG1-CD1 4.38Å; V480-L531 HydrophobicContact CG1-CD2 3.84Å
481L95.2Very high95.2Very high7 Ų738.4 Ų38.44%0.03719%0.192CC..  trans-99125168-62.5-172000111.2V14 I74 G78 Q80 L478 H527V14-L481 HydrophobicContact CG2-CD1 3.68Å; I74-L481 HydrophobicContact CG2-CB 4.13Å; G78-L481 PolarHBondContact O-N 3.21Å; Q80-L481 HydrophobicContact CB-CD1 3.82Å; L478-L481 HydrophobicContact CB-CD2 4.05Å; L478-L481 HydrophobicContact CD1-CD2 3.58Å; L478-L481 HydrophobicContact CG-CD2 4.46Å; L481-H527 WeakPolarHBondContact CA-NE2 3.23Å
482S95.6Very high95.5Very high22 Ų2233.8 Ų33.815%0.15417%0.168CC..  trans-86.2128.9168.8168.80000110.8R484 A485 V486 H527S482-R484 VanDerWaalsContact C-N 3.33Å; S482-R484 PolarHBondContact O-N 3.43Å; S482-R484 PolarHBondContact OG-N 3.33Å; S482-A485 PolarHBondContact O-N 3.4Å; S482-A485 PolarHBondContact OG-N 3.46Å; S482-V486 PolarHBondContact O-N 3.03Å; S482-V486 VanDerWaalsContact O-N 3.08Å; S482-H527 PolarHBondContact N-CE1 3.37Å; S482-H527 VanDerWaalsContact N-CE1 3.29Å; S482-H527 PolarHBondContact N-NE2 2.74Å; S482-H527 PolarHBondContact O-CE1 2.95Å
483S95.6Very high95.6Very high17 Ų1729.7 Ų29.712%0.11915%0.148CC..Hα-helixtrans-59.8-42.8173.152.30000111.7A485 V486 Q487S483-A485 PolarHBondContact O-N 3.29Å; S483-V486 WeakPolarHBondContact O-CB 3.26Å; S483-V486 PolarHBondContact O-N 2.87Å; S483-Q487 PolarHBondContact O-N 2.93Å
484R95.4Very high95.7Very high7 Ų730.4 Ų30.43%0.02615%0.151CC..Hα-helixtrans-60.8-42.9176.2-177.4172.8174.998.1-10.2112.1D329 L330 A449 D454 S482 V486 Q487 L488 Y530 R576D329-R484 IonicContact OD2-NH1 2.93Å; L330-R484 HydrophobicContact CD1-CG 4.34Å; A449-R484 PolarHBondContact O-NH2 3.47Å; D454-R484 IonicContact OD1-CZ 2.69Å; D454-R484 IonicContact OD1-NE 3.21Å; D454-R484 PolarHBondContact OD1-NE 2.71Å; D454-R484 IonicContact OD1-NH2 3.94Å; D454-R484 PolarHBondContact OD1-NH2 2.74Å; D454-R484 IonicContact OD2-CZ 2.77Å; D454-R484 IonicContact OD2-NE 3.75Å; D454-R484 IonicContact OD2-NH2 3.86Å; D454-R484 PolarHBondContact OD2-NH2 3.32Å; S482-R484 VanDerWaalsContact C-N 3.33Å; S482-R484 PolarHBondContact O-N 3.43Å; S482-R484 PolarHBondContact OG-N 3.33Å; R484-V486 VanDerWaalsContact C-N 3.31Å; R484-V486 PolarHBondContact O-N 2.9Å; R484-Q487 PolarHBondContact O-N 3.46Å; R484-L488 HydrophobicContact CG-CD1 3.83Å; R484-L488 HydrophobicContact CG-CG 4.21Å; R484-L488 WeakPolarHBondContact O-CB 3.31Å; R484-L488 VanDerWaalsContact O-CG 3.27Å; R484-L488 WeakPolarHBondContact O-CG 3.5Å; R484-L488 PolarHBondContact O-N 2.83Å; R484-Y530 WeakPolarHBondContact CD-OH 3.44Å; R484-R576 VanDerWaalsContact CZ-NH2 3.31Å
485A97.1Very high95.9Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-66.5-32.5177.200000112.6S482 S483 G489 F526 H527 Y530S482-A485 PolarHBondContact O-N 3.4Å; S482-A485 PolarHBondContact OG-N 3.46Å; S483-A485 PolarHBondContact O-N 3.29Å; A485-G489 PolarHBondContact O-N 3.48Å; A485-F526 WeakPolarHBondContact O-CE1 3.47Å; A485-H527 VanDerWaalsContact CB-CE1 3.46Å; A485-H527 WeakPolarHBondContact CB-CE1 3.37Å; A485-Y530 HydrophobicContact CB-CD1 3.59Å; A485-Y530 HydrophobicContact CB-CD2 3.96Å; A485-Y530 HydrophobicContact CB-CE1 3.93Å; A485-Y530 HydrophobicContact CB-CE2 4.26Å; A485-Y530 HydrophobicContact CB-CG 3.62Å
486V96.8Very high96.1Very high0 Ų019.7 Ų19.70%011%0.106CC..Hα-helixtrans-62.6-46.6171.2160.40000111.1V14 F71 I74 L322 S482 S483 R484 G489 S490V14-V486 HydrophobicContact CB-CG1 4.35Å; V14-V486 HydrophobicContact CB-CG2 4.03Å; V14-V486 HydrophobicContact CG2-CG2 4.08Å; V14-V486 WeakPolarHBondContact O-CG1 3.49Å; F71-V486 HydrophobicContact CE1-CB 4.19Å; F71-V486 HydrophobicContact CE1-CG1 3.7Å; F71-V486 HydrophobicContact CZ-CG1 3.74Å; I74-V486 HydrophobicContact CD1-CG2 4.24Å; L322-V486 HydrophobicContact CB-CG1 3.85Å; L322-V486 HydrophobicContact CD1-CG1 3.84Å; L322-V486 HydrophobicContact CG-CG1 4.44Å; S482-V486 PolarHBondContact O-N 3.03Å; S482-V486 VanDerWaalsContact O-N 3.08Å; S483-V486 WeakPolarHBondContact O-CB 3.26Å; S483-V486 PolarHBondContact O-N 2.87Å; R484-V486 VanDerWaalsContact C-N 3.31Å; R484-V486 PolarHBondContact O-N 2.9Å; V486-G489 PolarHBondContact O-N 3.28Å; V486-S490 PolarHBondContact O-N 3.32Å; V486-S490 VanDerWaalsContact O-N 3.08Å
487Q96.5Very high96.1Very high9 Ų918.7 Ų18.74%0.04210%0.101CC..Hα-helixtrans-63.2-47.5177-67.4-176.286.700113F71 L322 D324 D327 L330 S483 R484 G489 S490 L491F71-Q487 HydrophobicContact CE1-CG 3.67Å; F71-Q487 HydrophobicContact CE2-CG 4.48Å; F71-Q487 HydrophobicContact CZ-CG 3.48Å; F71-Q487 VanDerWaalsContact CZ-CG 3.48Å; L322-Q487 WeakPolarHBondContact O-CA 2.88Å; D324-Q487 HydrophobicContact CB-CG 4.05Å; D327-Q487 PolarHBondContact OD2-NE2 3.29Å; L330-Q487 HydrophobicContact CD1-CB 3.78Å; S483-Q487 PolarHBondContact O-N 2.93Å; R484-Q487 PolarHBondContact O-N 3.46Å; Q487-G489 VanDerWaalsContact C-N 3.35Å; Q487-G489 PolarHBondContact O-N 2.84Å; Q487-S490 CarbonylContact O-C 3.54Å; Q487-S490 WeakPolarHBondContact O-CB 3.48Å; Q487-S490 PolarHBondContact O-N 3.42Å; Q487-L491 WeakPolarHBondContact O-CB 3.42Å; Q487-L491 PolarHBondContact O-N 3.18Å
488L97.8Very high96.4Very high0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-60.9-42.5179-70172.9000111.9L330 L450 D454 Y458 R484 S490 L491 Y492 F526 Y530L330-L488 HydrophobicContact CD1-CD2 4.15Å; L330-L488 HydrophobicContact CD1-CG 4.34Å; L330-L488 HydrophobicContact CD2-CD2 4.11Å; L450-L488 HydrophobicContact CD2-CD2 3.61Å; D454-L488 HydrophobicContact CB-CD1 4.26Å; D454-L488 WeakPolarHBondContact OD1-CD1 3.23Å; Y458-L488 HydrophobicContact CE1-CB 4.41Å; Y458-L488 WeakPolarHBondContact OH-CA 3.39Å; Y458-L488 WeakPolarHBondContact OH-CB 3.43Å; Y458-L488 WeakPolarHBondContact OH-CD2 3.47Å; Y458-L488 PolarHBondContact OH-O 3.07Å; R484-L488 HydrophobicContact CG-CD1 3.83Å; R484-L488 HydrophobicContact CG-CG 4.21Å; R484-L488 WeakPolarHBondContact O-CB 3.31Å; R484-L488 VanDerWaalsContact O-CG 3.27Å; R484-L488 WeakPolarHBondContact O-CG 3.5Å; R484-L488 PolarHBondContact O-N 2.83Å; L488-S490 PolarHBondContact O-N 3.28Å; L488-L491 PolarHBondContact O-N 3.2Å; L488-Y492 PolarHBondContact O-N 3.39Å; L488-F526 HydrophobicContact CB-CE1 3.94Å; L488-F526 HydrophobicContact CB-CZ 3.76Å; L488-Y530 HydrophobicContact CD1-CD2 4.23Å; L488-Y530 HydrophobicContact CD1-CE2 3.71Å
489G97.6Very high96.5Very high0 Ų010.2 Ų10.20%06%0.061CC..Hα-helixtrans-60.4-44174.200000112.3A485 V486 Q487 V493A485-G489 PolarHBondContact O-N 3.48Å; V486-G489 PolarHBondContact O-N 3.28Å; Q487-G489 VanDerWaalsContact C-N 3.35Å; Q487-G489 PolarHBondContact O-N 2.84Å; G489-V493 WeakPolarHBondContact O-CB 3.25Å; G489-V493 VanDerWaalsContact O-CG2 3.28Å; G489-V493 WeakPolarHBondContact O-CG2 3.48Å; G489-V493 PolarHBondContact O-N 2.94Å; G489-V493 VanDerWaalsContact O-N 3.14Å
490S97Very high96.8Very high0 Ų06.1 Ų6.10%03%0.034CC..Hα-helixtrans-64-40.5174.1-92.90000113.3S90 L322 V486 Q487 L488 V493 R494S90-S490 PolarHBondContact OG-OG 3.02Å; L322-S490 WeakPolarHBondContact CB-OG 3.37Å; L322-S490 PolarHBondContact N-OG 3.41Å; V486-S490 PolarHBondContact O-N 3.32Å; V486-S490 VanDerWaalsContact O-N 3.08Å; Q487-S490 CarbonylContact O-C 3.54Å; Q487-S490 WeakPolarHBondContact O-CB 3.48Å; Q487-S490 PolarHBondContact O-N 3.42Å; L488-S490 PolarHBondContact O-N 3.28Å; S490-V493 PolarHBondContact O-N 3.47Å; S490-R494 WeakPolarHBondContact O-CG 3.15Å; S490-R494 PolarHBondContact O-N 3.38Å
491L97.7Very high96.9Very high13 Ų135.3 Ų5.37%0.0683%0.029CC..Hα-helixtrans-64-45.7178.4-176.467.2000111.5Q333 V336 Y337 I443 Q487 L488 R494 G495Q333-L491 HydrophobicContact CB-CD1 3.87Å; V336-L491 HydrophobicContact CB-CD1 4.24Å; V336-L491 HydrophobicContact CG1-CD1 4.21Å; V336-L491 HydrophobicContact CG2-CD1 4.28Å; Y337-L491 HydrophobicContact CE2-CD1 3.74Å; Y337-L491 HydrophobicContact CE2-CG 4.42Å; Y337-L491 PolarHBondContact OH-O 3.44Å; I443-L491 HydrophobicContact CG2-CD2 3.8Å; Q487-L491 WeakPolarHBondContact O-CB 3.42Å; Q487-L491 PolarHBondContact O-N 3.18Å; L488-L491 PolarHBondContact O-N 3.2Å; L491-R494 PolarHBondContact O-N 3.06Å; L491-G495 PolarHBondContact O-N 3.33Å
492Y98.1Very high97Very high1 Ų15 Ų50%0.0043%0.028CC..Hα-helixtrans-62.1-45177.3-174.4-81.6000111.9A436 L439 V440 I443 Y458 L488 R494 G495 L496 G520 F521A436-Y492 VanDerWaalsContact CB-OH 3.29Å; A436-Y492 WeakPolarHBondContact CB-OH 3.27Å; L439-Y492 HydrophobicContact CD2-CD1 4.2Å; L439-Y492 HydrophobicContact CD2-CD2 3.87Å; L439-Y492 HydrophobicContact CD2-CE1 4.15Å; L439-Y492 HydrophobicContact CD2-CE2 3.83Å; L439-Y492 HydrophobicContact CD2-CG 4.06Å; L439-Y492 WeakPolarHBondContact CD2-O 3.24Å; L439-Y492 HydrophobicContact CG-CD2 4.34Å; L439-Y492 HydrophobicContact CG-CE2 4.29Å; V440-Y492 HydrophobicContact CG2-CD2 4.37Å; V440-Y492 HydrophobicContact CG2-CE2 3.78Å; I443-Y492 HydrophobicContact CD1-CD2 4.39Å; Y458-Y492 AromaticContact CD1-CD2 3.55Å; Y458-Y492 HydrophobicContact CD1-CD2 3.55Å; Y458-Y492 HydrophobicContact CD1-CE2 4.18Å; Y458-Y492 HydrophobicContact CD1-CG 4.15Å; Y458-Y492 AromaticContact CE1-CD2 3.66Å; Y458-Y492 HydrophobicContact CE1-CD2 3.66Å; Y458-Y492 AromaticContact CE1-CG 3.96Å; Y458-Y492 HydrophobicContact CE1-CG 3.96Å; Y458-Y492 HydrophobicContact CG-CD2 4.25Å; L488-Y492 PolarHBondContact O-N 3.39Å; Y492-R494 VanDerWaalsContact C-N 3.32Å; Y492-R494 PolarHBondContact O-N 3.42Å; Y492-G495 CarbonylContact O-C 3.33Å; Y492-G495 VanDerWaalsContact O-CA 3.25Å; Y492-G495 WeakPolarHBondContact O-CA 3.32Å; Y492-G495 PolarHBondContact O-N 3.46Å; Y492-L496 HydrophobicContact CD1-CD1 4.24Å; Y492-L496 HydrophobicContact CD1-CG 4.14Å; Y492-L496 HydrophobicContact CE1-CD1 4Å; Y492-L496 HydrophobicContact CE1-CD2 3.88Å; Y492-L496 HydrophobicContact CE1-CG 3.89Å; Y492-L496 PolarHBondContact O-N 3.04Å; Y492-G520 PolarHBondContact OH-O 2.92Å; Y492-F521 HydrophobicContact CD1-CB 4.09Å; Y492-F521 AromaticContact CD1-CD2 3.34Å; Y492-F521 HydrophobicContact CD1-CD2 3.34Å; Y492-F521 AromaticContact CD1-CE2 4Å; Y492-F521 HydrophobicContact CD1-CE2 4Å; Y492-F521 AromaticContact CD1-CG 3.88Å; Y492-F521 HydrophobicContact CD1-CG 3.88Å; Y492-F521 HydrophobicContact CE1-CB 3.84Å; Y492-F521 AromaticContact CE1-CD2 3.68Å; Y492-F521 HydrophobicContact CE1-CD2 3.68Å; Y492-F521 HydrophobicContact CE1-CG 4.1Å; Y492-F521 AromaticContact CG-CD2 3.99Å; Y492-F521 HydrophobicContact CG-CD2 3.99Å; Y492-F521 HydrophobicContact CG-CE2 4.25Å
493V97.3Very high97.1Very high0 Ų04 Ų40%02%0.02CC..Hα-helixtrans-65.5-34.5178.9167.70000112.2W19 S90 A91 G489 S490 G495 L496 F521W19-V493 HydrophobicContact CH2-CG1 4.48Å; W19-V493 HydrophobicContact CZ2-CG1 3.67Å; S90-V493 WeakPolarHBondContact O-CG1 3.48Å; A91-V493 HydrophobicContact CB-CG1 4.11Å; G489-V493 WeakPolarHBondContact O-CB 3.25Å; G489-V493 VanDerWaalsContact O-CG2 3.28Å; G489-V493 WeakPolarHBondContact O-CG2 3.48Å; G489-V493 PolarHBondContact O-N 2.94Å; G489-V493 VanDerWaalsContact O-N 3.14Å; S490-V493 PolarHBondContact O-N 3.47Å; V493-G495 VanDerWaalsContact C-N 3.32Å; V493-L496 PolarHBondContact O-N 2.89Å; V493-F521 HydrophobicContact CG2-CD1 3.51Å; V493-F521 HydrophobicContact CG2-CE1 3.66Å; V493-F521 HydrophobicContact CG2-CG 4.05Å; V493-F521 HydrophobicContact CG2-CZ 4.29Å
494R96.6Very high97.2Very high19 Ų193.5 Ų3.57%0.0722%0.016CC..Hα-helixtrans-65.2-35.6167-72.6-69.6-178.8-159.5-2.5112.1S319 N320 S321 Q333 Y337 S490 L491 Y492 S497 H498S319-R494 PolarHBondContact O-NH2 3.23Å; N320-R494 PolarHBondContact O-NH2 3.46Å; S321-R494 WeakPolarHBondContact OG-CG 3.32Å; S321-R494 PolarHBondContact OG-NE 2.95Å; Q333-R494 HydrophobicContact CB-CB 4.42Å; Q333-R494 HydrophobicContact CB-CG 4.47Å; Q333-R494 HydrophobicContact CG-CG 4.34Å; Y337-R494 HydrophobicContact CE2-CB 4.08Å; S490-R494 WeakPolarHBondContact O-CG 3.15Å; S490-R494 PolarHBondContact O-N 3.38Å; L491-R494 PolarHBondContact O-N 3.06Å; Y492-R494 VanDerWaalsContact C-N 3.32Å; Y492-R494 PolarHBondContact O-N 3.42Å; R494-S497 WeakPolarHBondContact O-CB 3.27Å; R494-S497 PolarHBondContact O-N 3.5Å; R494-H498 PolarHBondContact O-N 3.05Å; R494-H498 PolarHBondContact O-ND1 3.47Å
495G97.5Very high97.2Very high0 Ų03.1 Ų3.10%02%0.015CC..Hα-helixtrans-60.9-42.6173.500000114Y337 L491 Y492 V493 S497 H498 L499Y337-G495 WeakPolarHBondContact OH-CA 3.03Å; Y337-G495 PolarHBondContact OH-N 2.93Å; L491-G495 PolarHBondContact O-N 3.33Å; Y492-G495 CarbonylContact O-C 3.33Å; Y492-G495 VanDerWaalsContact O-CA 3.25Å; Y492-G495 WeakPolarHBondContact O-CA 3.32Å; Y492-G495 PolarHBondContact O-N 3.46Å; V493-G495 VanDerWaalsContact C-N 3.32Å; G495-S497 PolarHBondContact O-N 2.64Å; G495-H498 PolarHBondContact O-N 3.4Å; G495-L499 PolarHBondContact O-N 2.81Å
496L97.6Very high97.2Very high6 Ų63.1 Ų3.13%0.0312%0.015CC..Hα-helixtrans-56.5-35173.4-65.9177000112.1F95 L439 Y492 V493 L499 L500 P517 F521F95-L496 HydrophobicContact CE1-CB 4.44Å; F95-L496 HydrophobicContact CE2-CB 4.24Å; F95-L496 HydrophobicContact CZ-CB 3.58Å; L439-L496 HydrophobicContact CD2-CD2 4.16Å; L439-L496 HydrophobicContact CD2-CG 4.31Å; Y492-L496 HydrophobicContact CD1-CD1 4.24Å; Y492-L496 HydrophobicContact CD1-CG 4.14Å; Y492-L496 HydrophobicContact CE1-CD1 4Å; Y492-L496 HydrophobicContact CE1-CD2 3.88Å; Y492-L496 HydrophobicContact CE1-CG 3.89Å; Y492-L496 PolarHBondContact O-N 3.04Å; V493-L496 PolarHBondContact O-N 2.89Å; L496-L499 HydrophobicContact CD2-CD1 4.02Å; L496-L499 PolarHBondContact O-N 3.09Å; L496-L500 PolarHBondContact O-N 2.88Å; L496-P517 HydrophobicContact CD1-CB 3.97Å; L496-P517 HydrophobicContact CD1-CG 3.84Å; L496-F521 HydrophobicContact CD1-CB 4.26Å
497S96.4Very high97Very high5 Ų53.6 Ų3.64%0.0352%0.02CC..Hα-helixtrans-67.4-39.7176.7-54.60000111.2A91 F305 R494 G495 L500 G501A91-S497 VanDerWaalsContact CB-OG 3.23Å; A91-S497 WeakPolarHBondContact CB-OG 3.24Å; F305-S497 WeakPolarHBondContact CD1-O 3.38Å; F305-S497 WeakPolarHBondContact CE1-O 3.43Å; R494-S497 WeakPolarHBondContact O-CB 3.27Å; R494-S497 PolarHBondContact O-N 3.5Å; G495-S497 PolarHBondContact O-N 2.64Å; S497-L500 PolarHBondContact O-N 3.49Å; S497-G501 PolarHBondContact O-N 2.92Å
498H97.4Very high96.9Very high6 Ų65.4 Ų5.43%0.0283%0.033CC..Hα-helixtrans-69.9-36.9176.6-67.688.4000112Y337 F417 R494 G495 L500 G501 A502Y337-H498 WeakPolarHBondContact CB-NE2 3.47Å; Y337-H498 HydrophobicContact CD1-CB 4.34Å; Y337-H498 AromaticContact CD2-CE1 3.67Å; Y337-H498 AromaticContact CD2-ND1 3.67Å; Y337-H498 AromaticContact CG-CE1 3.69Å; Y337-H498 AromaticContact CG-CG 3.89Å; Y337-H498 AromaticContact CG-ND1 3.58Å; F417-H498 HydrophobicContact CZ-CB 4.25Å; R494-H498 PolarHBondContact O-N 3.05Å; R494-H498 PolarHBondContact O-ND1 3.47Å; G495-H498 PolarHBondContact O-N 3.4Å; H498-L500 VanDerWaalsContact C-N 3.33Å; H498-L500 PolarHBondContact O-N 2.9Å; H498-G501 PolarHBondContact O-N 3.23Å; H498-A502 WeakPolarHBondContact O-CB 3.38Å; H498-A502 PolarHBondContact O-N 2.87Å
499L97.6Very high96.8Very high0 Ų06.3 Ų6.30%04%0.041CC..Hα-helixtrans-57.9-46.5169.9-77.2169.1000111F413 F417 A435 L439 G495 L496 A502 N503F413-L499 HydrophobicContact CE2-CD2 4.08Å; F413-L499 HydrophobicContact CZ-CD2 3.67Å; F417-L499 HydrophobicContact CD1-CD2 4.42Å; F417-L499 HydrophobicContact CD2-CD2 3.95Å; F417-L499 HydrophobicContact CE1-CD2 4.09Å; F417-L499 HydrophobicContact CE1-CG 4.31Å; F417-L499 HydrophobicContact CE2-CD2 3.58Å; F417-L499 HydrophobicContact CE2-CG 4.22Å; F417-L499 HydrophobicContact CG-CD2 4.36Å; F417-L499 HydrophobicContact CZ-CB 4.35Å; F417-L499 HydrophobicContact CZ-CD2 3.67Å; F417-L499 HydrophobicContact CZ-CG 3.87Å; A435-L499 HydrophobicContact CB-CD1 4.17Å; L439-L499 HydrophobicContact CB-CD1 3.84Å; L439-L499 HydrophobicContact CB-CG 4.43Å; L439-L499 HydrophobicContact CD2-CD1 4.05Å; L439-L499 HydrophobicContact CG-CD1 4.44Å; G495-L499 PolarHBondContact O-N 2.81Å; L496-L499 HydrophobicContact CD2-CD1 4.02Å; L496-L499 PolarHBondContact O-N 3.09Å; L499-A502 PolarHBondContact O-N 3.33Å; L499-N503 VanDerWaalsContact O-CB 3.32Å; L499-N503 WeakPolarHBondContact O-CB 3.39Å; L499-N503 PolarHBondContact O-N 3.39Å
500L97.4Very high96.7Very high0 Ų06.5 Ų6.50%04%0.041CC..Hα-helixtrans-62.8-42.7178.1-176.863.8000112.2F95 F98 F305 L496 S497 H498 N503 N504 L515 M516F95-L500 HydrophobicContact CD1-CD2 4.44Å; F95-L500 HydrophobicContact CE1-CD2 4.07Å; F98-L500 HydrophobicContact CD2-CD2 4.22Å; F98-L500 HydrophobicContact CE1-CD1 4.48Å; F98-L500 HydrophobicContact CE1-CD2 4.41Å; F98-L500 HydrophobicContact CE2-CD2 3.64Å; F98-L500 HydrophobicContact CZ-CD1 4.47Å; F98-L500 HydrophobicContact CZ-CD2 3.76Å; F98-L500 HydrophobicContact CZ-CG 4.48Å; F305-L500 HydrophobicContact CB-CD2 4Å; F305-L500 HydrophobicContact CB-CG 4.19Å; F305-L500 HydrophobicContact CD1-CB 4.41Å; F305-L500 HydrophobicContact CD1-CD2 4.27Å; F305-L500 HydrophobicContact CD1-CG 4.35Å; F305-L500 HydrophobicContact CG-CD2 4.25Å; L496-L500 PolarHBondContact O-N 2.88Å; S497-L500 PolarHBondContact O-N 3.49Å; H498-L500 VanDerWaalsContact C-N 3.33Å; H498-L500 PolarHBondContact O-N 2.9Å; L500-N503 PolarHBondContact O-N 3.37Å; L500-N504 WeakPolarHBondContact O-CB 3.48Å; L500-N504 VanDerWaalsContact O-CG 3.26Å; L500-N504 PolarHBondContact O-N 2.9Å; L500-N504 PolarHBondContact O-ND2 3.39Å; L500-L515 HydrophobicContact CD1-CD1 4.32Å; L500-M516 HydrophobicContact CD1-CE 3.89Å; L500-M516 HydrophobicContact CD2-CE 3.93Å
501G96.9Very high96.6Very high0 Ų09.9 Ų9.90%06%0.063CC..Hα-helixtrans-62-44.8174.900000112.7S497 H498 N504 A505S497-G501 PolarHBondContact O-N 2.92Å; H498-G501 PolarHBondContact O-N 3.23Å; G501-N504 PolarHBondContact O-N 3.42Å; G501-A505 WeakPolarHBondContact O-CB 3.3Å; G501-A505 PolarHBondContact O-N 2.78Å
502A97.8Very high96.4Very high0 Ų010.8 Ų10.80%07%0.071CC..Hα-helixtrans-63.5-41.1175.100000112.5V344 F413 V416 F417 H498 L499 A505 S506V344-A502 HydrophobicContact CG2-CB 4.01Å; F413-A502 HydrophobicContact CD2-CB 4.18Å; F413-A502 HydrophobicContact CE2-CB 4.41Å; V416-A502 HydrophobicContact CB-CB 4.18Å; V416-A502 HydrophobicContact CG1-CB 3.71Å; V416-A502 HydrophobicContact CG2-CB 4.48Å; F417-A502 HydrophobicContact CD2-CB 4.48Å; F417-A502 HydrophobicContact CE2-CB 3.66Å; H498-A502 WeakPolarHBondContact O-CB 3.38Å; H498-A502 PolarHBondContact O-N 2.87Å; L499-A502 PolarHBondContact O-N 3.33Å; A502-A505 PolarHBondContact O-N 3.34Å; A502-S506 WeakPolarHBondContact O-CB 3.41Å; A502-S506 PolarHBondContact O-N 3.34Å; A502-S506 PolarHBondContact O-OG 3.01Å
503N97.6Very high96.2Very high0 Ų013.9 Ų13.90%010%0.096CC..Hα-helixtrans-63.2-42.3176.5-169.953000111.5F413 L499 L500 S506 G507 C508 A509 L510 L515F413-N503 HydrophobicContact CD2-CB 4.04Å; F413-N503 HydrophobicContact CE2-CB 3.98Å; L499-N503 VanDerWaalsContact O-CB 3.32Å; L499-N503 WeakPolarHBondContact O-CB 3.39Å; L499-N503 PolarHBondContact O-N 3.39Å; L500-N503 PolarHBondContact O-N 3.37Å; N503-S506 PolarHBondContact O-N 3.03Å; N503-S506 PolarHBondContact O-OG 3.33Å; N503-G507 PolarHBondContact O-N 2.91Å; N503-C508 WeakPolarHBondContact O-CA 3.44Å; N503-C508 PolarHBondContact O-N 2.94Å; N503-A509 PolarHBondContact OD1-N 3.07Å; N503-L510 PolarHBondContact ND2-O 3.44Å; N503-L510 PolarHBondContact OD1-N 3.4Å; N503-L510 PolarHBondContact OD1-O 3.38Å; N503-L515 HydrophobicContact CB-CD1 3.44Å; N503-L515 VanDerWaalsContact CB-CD1 3.44Å
504N96.7Very high96.1Very high7 Ų714.6 Ų14.64%0.03710%0.102CC..Hα-helixtrans-65.9-42.7176.4-71.5-18.4000111.8E303 F305 V307 L500 G501 S506 G507E303-N504 PolarHBondContact O-ND2 3.03Å; E303-N504 VanDerWaalsContact O-ND2 3.11Å; F305-N504 PolarHBondContact N-ND2 2.88Å; V307-N504 HydrophobicContact CG2-CB 3.71Å; L500-N504 WeakPolarHBondContact O-CB 3.48Å; L500-N504 VanDerWaalsContact O-CG 3.26Å; L500-N504 PolarHBondContact O-N 2.9Å; L500-N504 PolarHBondContact O-ND2 3.39Å; G501-N504 PolarHBondContact O-N 3.42Å; N504-S506 PolarHBondContact O-N 3.31Å; N504-G507 PolarHBondContact O-N 2.81Å
505A96.7Very high96.1Very high0 Ų013.7 Ų13.70%010%0.099CC..Hα-helixtrans-64.5-36.7176.300000112.9V307 V344 L347 L348 W398 G501 A502 G507V307-A505 HydrophobicContact CG2-CB 4.5Å; V344-A505 HydrophobicContact CG1-CB 3.88Å; L347-A505 HydrophobicContact CD2-CB 4.02Å; L348-A505 HydrophobicContact CD1-CB 4.15Å; L348-A505 HydrophobicContact CD2-CB 3.87Å; L348-A505 HydrophobicContact CG-CB 3.92Å; W398-A505 PolarHBondContact NE1-O 2.97Å; G501-A505 WeakPolarHBondContact O-CB 3.3Å; G501-A505 PolarHBondContact O-N 2.78Å; A502-A505 PolarHBondContact O-N 3.34Å; A505-G507 PolarHBondContact O-N 3.41Å
506S95.3Very high96Very high0 Ų013.9 Ų13.90%010%0.1CC..THydrogen-bonded Turntrans-76.73.5177.670.50000114.9R409 A502 N503 N504R409-S506 WeakPolarHBondContact CB-O 3.34Å; R409-S506 VanDerWaalsContact CG-O 3.24Å; R409-S506 WeakPolarHBondContact CG-O 3.46Å; A502-S506 WeakPolarHBondContact O-CB 3.41Å; A502-S506 PolarHBondContact O-N 3.34Å; A502-S506 PolarHBondContact O-OG 3.01Å; N503-S506 PolarHBondContact O-N 3.03Å; N503-S506 PolarHBondContact O-OG 3.33Å; N504-S506 PolarHBondContact O-N 3.31Å
507G94.3Very high96Very high9 Ų913.6 Ų13.69%0.09310%0.099CC..THydrogen-bonded Turntrans83.626-178.300000114.2R409 N503 N504 A505R409-G507 WeakPolarHBondContact CD-O 3.19Å; R409-G507 PolarHBondContact NE-O 2.81Å; N503-G507 PolarHBondContact O-N 2.91Å; N504-G507 PolarHBondContact O-N 2.81Å; A505-G507 PolarHBondContact O-N 3.41Å
508C94.4Very high95.9Very high47 Ų4714.6 Ų14.632%0.31810%0.101SC..  trans64.365180-53.70000112.6N503N503-C508 WeakPolarHBondContact O-CA 3.44Å; N503-C508 PolarHBondContact O-N 2.94Å
509A94.4Very high95.7Very high20 Ų2018.6 Ų18.617%0.16512%0.12CC..SBendtrans-59.3-45.2176.700000113.4R409 F413 N503R409-A509 HydrophobicContact CB-CB 3.92Å; R409-A509 WeakPolarHBondContact O-CB 3.31Å; F413-A509 HydrophobicContact CB-CB 3.71Å; F413-A509 HydrophobicContact CG-CB 4.21Å; N503-A509 PolarHBondContact OD1-N 3.07Å
510L95.7Very high95.4Very high3 Ų318.9 Ų18.92%0.01612%0.123CC..SBendtrans-107.6154.1175.2-60.8-179.9000110.2L410 F413 D431 L434 A435 N503 S512 L515L410-L510 HydrophobicContact CD1-CD2 4.29Å; F413-L510 HydrophobicContact CD1-CD1 4.28Å; F413-L510 HydrophobicContact CE1-CD1 3.54Å; F413-L510 HydrophobicContact CE1-CG 4.21Å; F413-L510 HydrophobicContact CZ-CD1 3.81Å; D431-L510 HydrophobicContact CB-CD2 4.47Å; L434-L510 HydrophobicContact CD2-CD2 4.41Å; A435-L510 HydrophobicContact CB-CD1 4.5Å; N503-L510 PolarHBondContact ND2-O 3.44Å; N503-L510 PolarHBondContact OD1-N 3.4Å; N503-L510 PolarHBondContact OD1-O 3.38Å; L510-S512 PolarHBondContact O-N 3.04Å; L510-L515 HydrophobicContact CD1-CD2 4.13Å
511P95.1Very high95.4Very high71 Ų7118.9 Ų18.946%0.46112%0.123SC..  trans-59.9123.5169.8-19.432.1000110D431 A513 A514D431-P511 VanDerWaalsContact OD2-CD 3.23Å; D431-P511 WeakPolarHBondContact OD2-CD 3.47Å; D431-P511 WeakPolarHBondContact OD2-CG 3.4Å; P511-A513 PolarHBondContact O-N 3.05Å; P511-A514 WeakPolarHBondContact O-CB 3.45Å; P511-A514 PolarHBondContact O-N 2.59Å
512S94.3Very high95.4Very high32 Ų3219 Ų1922%0.22412%0.124CC..G310 helixtrans-56.4-28.3-176.6-51.80000113.2L510 A514 L515 M516L510-S512 PolarHBondContact O-N 3.04Å; S512-A514 PolarHBondContact O-N 2.99Å; S512-L515 PolarHBondContact O-N 2.83Å; S512-L515 VanDerWaalsContact O-N 3.07Å; S512-M516 VanDerWaalsContact O-CE 3.22Å; S512-M516 WeakPolarHBondContact O-CE 3.44Å
513A93.5Very high95.3Very high66 Ų6619 Ų1955%0.54512%0.124SC..G310 helixtrans-56.5-34.1172.900000113.6P511 L515 M516 Q519P511-A513 PolarHBondContact O-N 3.05Å; A513-L515 PolarHBondContact O-N 3.16Å; A513-M516 WeakPolarHBondContact O-CB 3.49Å; A513-M516 WeakPolarHBondContact O-CG 3.07Å; A513-M516 PolarHBondContact O-N 2.63Å; A513-Q519 WeakPolarHBondContact O-CG 3.39Å
514A94.9Very high95.2Very high15 Ų1519.9 Ų19.912%0.12413%0.127CC..G310 helixtrans-70.9-19.2178.100000113.5D431 S432 P511 S512D431-A514 HydrophobicContact CB-CB 3.49Å; D431-A514 VanDerWaalsContact CB-CB 3.49Å; S432-A514 WeakPolarHBondContact CA-O 3.38Å; S432-A514 VanDerWaalsContact CB-O 3.25Å; S432-A514 WeakPolarHBondContact CB-O 3.3Å; P511-A514 WeakPolarHBondContact O-CB 3.45Å; P511-A514 PolarHBondContact O-N 2.59Å; S512-A514 PolarHBondContact O-N 2.99Å
515L96.7Very high95.3Very high0 Ų019.7 Ų19.70%013%0.126CC..G310 helixtrans-92.91.3179.1-51.5-178.5000112.6A435 L500 N503 L510 S512 A513A435-L515 HydrophobicContact CB-CD2 3.42Å; A435-L515 VanDerWaalsContact CB-CD2 3.42Å; L500-L515 HydrophobicContact CD1-CD1 4.32Å; N503-L515 HydrophobicContact CB-CD1 3.44Å; N503-L515 VanDerWaalsContact CB-CD1 3.44Å; L510-L515 HydrophobicContact CD1-CD2 4.13Å; S512-L515 PolarHBondContact O-N 2.83Å; S512-L515 VanDerWaalsContact O-N 3.07Å; A513-L515 PolarHBondContact O-N 3.16Å
516M96.3Very high95.4Very high5 Ų519.7 Ų19.73%0.02513%0.126CC..SBendtrans-78.2140.1-178.2-63.4-64.3106.300111F95 F98 L500 S512 A513 W518 Q519F95-M516 HydrophobicContact CD1-CE 4.04Å; F95-M516 HydrophobicContact CD1-SD 4.03Å; F95-M516 HydrophobicContact CE1-CE 4.2Å; F98-M516 HydrophobicContact CB-CE 4.21Å; F98-M516 HydrophobicContact CB-SD 3.41Å; F98-M516 WeakPolarHBondContact CB-SD 3.32Å; F98-M516 HydrophobicContact CD1-CE 4.19Å; F98-M516 HydrophobicContact CD1-SD 4.43Å; F98-M516 HydrophobicContact CD2-CE 4.43Å; F98-M516 HydrophobicContact CD2-SD 4.48Å; F98-M516 HydrophobicContact CG-CE 4.01Å; F98-M516 HydrophobicContact CG-SD 3.88Å; L500-M516 HydrophobicContact CD1-CE 3.89Å; L500-M516 HydrophobicContact CD2-CE 3.93Å; S512-M516 VanDerWaalsContact O-CE 3.22Å; S512-M516 WeakPolarHBondContact O-CE 3.44Å; A513-M516 WeakPolarHBondContact O-CB 3.49Å; A513-M516 WeakPolarHBondContact O-CG 3.07Å; A513-M516 PolarHBondContact O-N 2.63Å; M516-W518 VanDerWaalsContact C-N 3.28Å; M516-W518 HydrophobicContact CB-CD2 3.77Å; M516-W518 VanDerWaalsContact CB-CE2 3.49Å; M516-W518 HydrophobicContact CB-CE3 4.04Å; M516-W518 HydrophobicContact CB-CG 4.43Å; M516-W518 HydrophobicContact CB-CH2 3.79Å; M516-W518 HydrophobicContact CB-CZ2 3.52Å; M516-W518 HydrophobicContact CB-CZ3 4.04Å; M516-W518 HydrophobicContact CG-CH2 3.69Å; M516-W518 HydrophobicContact CG-CZ2 3.43Å; M516-W518 VanDerWaalsContact CG-CZ2 3.43Å; M516-W518 HydrophobicContact CG-CZ3 4.39Å; M516-W518 PolarHBondContact O-N 3.43Å; M516-W518 HydrophobicContact SD-CH2 3.45Å; M516-W518 WeakPolarHBondContact SD-CH2 3.23Å; M516-W518 HydrophobicContact SD-CZ2 3.84Å; M516-W518 HydrophobicContact SD-CZ3 4.11Å; M516-Q519 WeakPolarHBondContact O-CB 3.23Å; M516-Q519 PolarHBondContact O-N 3.05Å
517P95.9Very high95.5Very high0 Ų019.7 Ų19.70%013%0.126CC..G310 helixtrans-53.5-40.8-178.7-29.134.6000114W19 F95 L496 Q519 G520 F521W19-P517 HydrophobicContact CB-CB 3.94Å; W19-P517 HydrophobicContact CD2-CB 3.25Å; W19-P517 HydrophobicContact CD2-CG 3.88Å; W19-P517 HydrophobicContact CE3-CB 3.67Å; W19-P517 HydrophobicContact CE3-CG 3.88Å; W19-P517 HydrophobicContact CG-CB 3.35Å; W19-P517 HydrophobicContact CG-CG 4.45Å; W19-P517 HydrophobicContact CH2-CG 4.11Å; W19-P517 HydrophobicContact CZ2-CB 4.23Å; W19-P517 HydrophobicContact CZ2-CG 4.15Å; W19-P517 HydrophobicContact CZ3-CB 4.28Å; W19-P517 HydrophobicContact CZ3-CG 3.99Å; F95-P517 HydrophobicContact CB-CG 4.21Å; F95-P517 VanDerWaalsContact CD1-CD 3.42Å; F95-P517 HydrophobicContact CD1-CG 3.93Å; F95-P517 HydrophobicContact CD2-CG 3.4Å; F95-P517 VanDerWaalsContact CD2-CG 3.4Å; F95-P517 HydrophobicContact CE1-CG 4.09Å; F95-P517 HydrophobicContact CE2-CG 3.58Å; F95-P517 HydrophobicContact CG-CG 3.58Å; F95-P517 HydrophobicContact CZ-CG 3.92Å; L496-P517 HydrophobicContact CD1-CB 3.97Å; L496-P517 HydrophobicContact CD1-CG 3.84Å; P517-Q519 PolarHBondContact O-N 2.88Å; P517-G520 PolarHBondContact O-N 3.23Å; P517-F521 PolarHBondContact O-N 2.71Å
518W94.6Very high95.7Very high25 Ų2520.8 Ų20.810%0.09513%0.132CC..G310 helixtrans-66.6-0.8178.359.889000115W19 M20 M23 F95 F98 A99 M516W19-W518 HydrophobicContact CB-CB 4.04Å; M20-W518 HydrophobicContact CG-CB 4.33Å; M20-W518 HydrophobicContact SD-CB 4.05Å; M20-W518 VanDerWaalsContact SD-O 3.42Å; M23-W518 HydrophobicContact CE-CZ2 4.38Å; M23-W518 HydrophobicContact CG-CB 3.88Å; M23-W518 HydrophobicContact CG-CD2 3.73Å; M23-W518 HydrophobicContact CG-CE3 4.03Å; M23-W518 HydrophobicContact CG-CG 3.67Å; M23-W518 HydrophobicContact SD-CD2 3.71Å; M23-W518 HydrophobicContact SD-CE3 3.78Å; M23-W518 HydrophobicContact SD-CG 4.26Å; M23-W518 HydrophobicContact SD-CH2 4.19Å; M23-W518 HydrophobicContact SD-CZ2 4.09Å; M23-W518 HydrophobicContact SD-CZ3 4.03Å; F95-W518 HydrophobicContact CB-CZ3 4.25Å; F98-W518 HydrophobicContact CB-CH2 4.25Å; A99-W518 HydrophobicContact CB-CH2 3.67Å; A99-W518 HydrophobicContact CB-CZ2 4.39Å; A99-W518 HydrophobicContact CB-CZ3 3.85Å; M516-W518 VanDerWaalsContact C-N 3.28Å; M516-W518 HydrophobicContact CB-CD2 3.77Å; M516-W518 VanDerWaalsContact CB-CE2 3.49Å; M516-W518 HydrophobicContact CB-CE3 4.04Å; M516-W518 HydrophobicContact CB-CG 4.43Å; M516-W518 HydrophobicContact CB-CH2 3.79Å; M516-W518 HydrophobicContact CB-CZ2 3.52Å; M516-W518 HydrophobicContact CB-CZ3 4.04Å; M516-W518 HydrophobicContact CG-CH2 3.69Å; M516-W518 HydrophobicContact CG-CZ2 3.43Å; M516-W518 VanDerWaalsContact CG-CZ2 3.43Å; M516-W518 HydrophobicContact CG-CZ3 4.39Å; M516-W518 PolarHBondContact O-N 3.43Å; M516-W518 HydrophobicContact SD-CH2 3.45Å; M516-W518 WeakPolarHBondContact SD-CH2 3.23Å; M516-W518 HydrophobicContact SD-CZ2 3.84Å; M516-W518 HydrophobicContact SD-CZ3 4.11Å
519Q93.9Very high95.8Very high91 Ų9118.6 Ų18.643%0.42512%0.117SC..G310 helixtrans-106.9-9.4171.1-61.5-61-29.200114.1S432 A513 M516 P517S432-Q519 PolarHBondContact OG-O 2.88Å; A513-Q519 WeakPolarHBondContact O-CG 3.39Å; M516-Q519 WeakPolarHBondContact O-CB 3.23Å; M516-Q519 PolarHBondContact O-N 3.05Å; P517-Q519 PolarHBondContact O-N 2.88Å
520G92Very high96Very high6 Ų617.9 Ų17.96%0.06211%0.11CC..THydrogen-bonded Turntrans-153-1.4-169.600000116.9Q461 Y492 P517Q461-G520 PolarHBondContact NE2-O 3.34Å; Y492-G520 PolarHBondContact OH-O 2.92Å; P517-G520 PolarHBondContact O-N 3.23Å
521F96.8Very high96.1Very high0 Ų018.8 Ų18.80%012%0.115CC..  trans-151.6129.6175.2-168.9-93.1000113.1W19 L465 Y492 V493 L496 P517 F526W19-F521 AromaticContact CD1-CD1 3.97Å; W19-F521 AromaticContact NE1-CD1 3.95Å; L465-F521 VanDerWaalsContact CD2-N 3.28Å; Y492-F521 HydrophobicContact CD1-CB 4.09Å; Y492-F521 AromaticContact CD1-CD2 3.34Å; Y492-F521 HydrophobicContact CD1-CD2 3.34Å; Y492-F521 AromaticContact CD1-CE2 4Å; Y492-F521 HydrophobicContact CD1-CE2 4Å; Y492-F521 AromaticContact CD1-CG 3.88Å; Y492-F521 HydrophobicContact CD1-CG 3.88Å; Y492-F521 HydrophobicContact CE1-CB 3.84Å; Y492-F521 AromaticContact CE1-CD2 3.68Å; Y492-F521 HydrophobicContact CE1-CD2 3.68Å; Y492-F521 HydrophobicContact CE1-CG 4.1Å; Y492-F521 AromaticContact CG-CD2 3.99Å; Y492-F521 HydrophobicContact CG-CD2 3.99Å; Y492-F521 HydrophobicContact CG-CE2 4.25Å; V493-F521 HydrophobicContact CG2-CD1 3.51Å; V493-F521 HydrophobicContact CG2-CE1 3.66Å; V493-F521 HydrophobicContact CG2-CG 4.05Å; V493-F521 HydrophobicContact CG2-CZ 4.29Å; L496-F521 HydrophobicContact CD1-CB 4.26Å; P517-F521 PolarHBondContact O-N 2.71Å; F521-F526 HydrophobicContact CE2-CB 3.66Å; F521-F526 AromaticContact CE2-CD1 3.95Å; F521-F526 HydrophobicContact CE2-CD1 3.95Å; F521-F526 HydrophobicContact CE2-CD2 4.21Å; F521-F526 AromaticContact CE2-CG 3.65Å; F521-F526 HydrophobicContact CE2-CG 3.65Å; F521-F526 HydrophobicContact CZ-CB 3.74Å; F521-F526 AromaticContact CZ-CD1 3.84Å; F521-F526 HydrophobicContact CZ-CD1 3.84Å; F521-F526 AromaticContact CZ-CG 3.89Å; F521-F526 HydrophobicContact CZ-CG 3.89Å
522D96.4Very high96.2Very high1 Ų117.3 Ų17.31%0.00510%0.103CC..  trans-130.6130.1162.8-177.8-92000110.5Q18 L465 L473 R524 L525 F526Q18-D522 PolarHBondContact OE1-OD1 3.44Å; L465-D522 HydrophobicContact CD1-CB 3.73Å; L473-D522 HydrophobicContact CD1-CB 4.36Å; L473-D522 HydrophobicContact CD2-CB 4.24Å; D522-R524 PolarHBondContact O-N 3.47Å; D522-R524 PolarHBondContact OD1-N 2.91Å; D522-L525 HydrophobicContact CB-CB 4.08Å; D522-L525 PolarHBondContact O-N 3.31Å; D522-L525 PolarHBondContact OD1-N 2.91Å; D522-F526 WeakPolarHBondContact O-CB 3.31Å; D522-F526 PolarHBondContact O-N 3.12Å
523G96.2Very high96.4Very high0 Ų016.1 Ų16.10%010%0.096CC..Hα-helixtrans-67-40.1-168.600000114.2C15 G17 H527C15-G523 WeakPolarHBondContact CB-O 3.28Å; C15-G523 WeakPolarHBondContact O-CA 3.4Å; G17-G523 WeakPolarHBondContact O-CA 3.35Å; G17-G523 PolarHBondContact O-N 3.32Å; G523-H527 VanDerWaalsContact O-CB 3.3Å; G523-H527 WeakPolarHBondContact O-CB 3.37Å; G523-H527 PolarHBondContact O-N 3.49Å
524R95.8Very high96.5Very high19 Ų1913.4 Ų13.47%0.0727%0.072CC..Hα-helixtrans-68-42.7175.3-78.4178.7-147.3-163.126.2110.9N12 E21 L473 R474 I476 L478 D522 H527 S528N12-R524 HydrophobicContact CB-CG 4Å; E21-R524 IonicContact OE1-NH2 3.41Å; E21-R524 IonicContact OE2-CZ 3.22Å; E21-R524 IonicContact OE2-NH2 2.75Å; E21-R524 PolarHBondContact OE2-NH2 3.25Å; L473-R524 WeakPolarHBondContact O-CD 3.43Å; R474-R524 PolarHBondContact O-NH1 3.18Å; I476-R524 HydrophobicContact CB-CB 4.19Å; I476-R524 HydrophobicContact CD1-CB 4.43Å; I476-R524 HydrophobicContact CG2-CB 4.17Å; L478-R524 HydrophobicContact CD1-CG 4.3Å; D522-R524 PolarHBondContact O-N 3.47Å; D522-R524 PolarHBondContact OD1-N 2.91Å; R524-H527 PolarHBondContact O-N 2.93Å; R524-S528 WeakPolarHBondContact O-CB 3.23Å; R524-S528 PolarHBondContact O-N 2.93Å
525L97.8Very high96.5Very high4 Ų415.7 Ų15.72%0.02110%0.097CC..Hα-helixtrans-60.3-51.7177-173.765.5000110.8Q461 C464 L465 K468 L473 I476 D522 H527 S528 K529Q461-L525 HydrophobicContact CB-CD2 4.19Å; Q461-L525 HydrophobicContact CB-CG 4Å; Q461-L525 WeakPolarHBondContact O-CD2 3.32Å; C464-L525 HydrophobicContact CB-CD2 4.39Å; L465-L525 HydrophobicContact CB-CD2 3.76Å; L465-L525 HydrophobicContact CD1-CD2 4.12Å; K468-L525 HydrophobicContact CG-CD2 4.45Å; L473-L525 HydrophobicContact CD2-CB 3.99Å; L473-L525 HydrophobicContact CD2-CD2 4.24Å; I476-L525 HydrophobicContact CD1-CB 4.04Å; I476-L525 HydrophobicContact CD1-CD1 3.87Å; D522-L525 HydrophobicContact CB-CB 4.08Å; D522-L525 PolarHBondContact O-N 3.31Å; D522-L525 PolarHBondContact OD1-N 2.91Å; L525-H527 VanDerWaalsContact C-N 3.34Å; L525-H527 PolarHBondContact O-N 2.88Å; L525-S528 PolarHBondContact O-N 3.48Å; L525-K529 HydrophobicContact CD1-CG 4.43Å; L525-K529 HydrophobicContact CG-CG 4.45Å; L525-K529 VanDerWaalsContact O-CG 3.32Å; L525-K529 WeakPolarHBondContact O-CG 3.46Å; L525-K529 PolarHBondContact O-N 3.38Å
526F98.3Very high96.4Very high0 Ų018.8 Ų18.80%013%0.128CC..Hα-helixtrans-53.7-49.6175.9175.3-114.4000112.1A457 Y458 Q461 A485 L488 F521 D522 S528 K529 Y530A457-F526 HydrophobicContact CB-CD2 4.29Å; A457-F526 HydrophobicContact CB-CE2 3.74Å; Y458-F526 AromaticContact CD1-CD2 3.94Å; Y458-F526 HydrophobicContact CD1-CD2 3.94Å; Y458-F526 AromaticContact CD1-CE2 3.3Å; Y458-F526 HydrophobicContact CD1-CE2 3.3Å; Y458-F526 AromaticContact CD1-CZ 3.85Å; Y458-F526 HydrophobicContact CD1-CZ 3.85Å; Y458-F526 HydrophobicContact CE1-CD2 4.38Å; Y458-F526 HydrophobicContact CE1-CE1 4.39Å; Y458-F526 AromaticContact CE1-CE2 3.56Å; Y458-F526 HydrophobicContact CE1-CE2 3.56Å; Y458-F526 AromaticContact CE1-CZ 3.57Å; Y458-F526 HydrophobicContact CE1-CZ 3.57Å; Y458-F526 AromaticContact CG-CE2 3.96Å; Y458-F526 HydrophobicContact CG-CE2 3.96Å; Q461-F526 HydrophobicContact CB-CB 4.29Å; Q461-F526 HydrophobicContact CG-CB 3.87Å; Q461-F526 HydrophobicContact CG-CD2 3.88Å; Q461-F526 HydrophobicContact CG-CG 4.34Å; A485-F526 WeakPolarHBondContact O-CE1 3.47Å; L488-F526 HydrophobicContact CB-CE1 3.94Å; L488-F526 HydrophobicContact CB-CZ 3.76Å; F521-F526 HydrophobicContact CE2-CB 3.66Å; F521-F526 AromaticContact CE2-CD1 3.95Å; F521-F526 HydrophobicContact CE2-CD1 3.95Å; F521-F526 HydrophobicContact CE2-CD2 4.21Å; F521-F526 AromaticContact CE2-CG 3.65Å; F521-F526 HydrophobicContact CE2-CG 3.65Å; F521-F526 HydrophobicContact CZ-CB 3.74Å; F521-F526 AromaticContact CZ-CD1 3.84Å; F521-F526 HydrophobicContact CZ-CD1 3.84Å; F521-F526 AromaticContact CZ-CG 3.89Å; F521-F526 HydrophobicContact CZ-CG 3.89Å; D522-F526 WeakPolarHBondContact O-CB 3.31Å; D522-F526 PolarHBondContact O-N 3.12Å; F526-S528 VanDerWaalsContact C-N 3.32Å; F526-S528 PolarHBondContact O-N 2.83Å; F526-K529 PolarHBondContact O-N 3.37Å; F526-Y530 HydrophobicContact CZ-CD2 4.42Å; F526-Y530 WeakPolarHBondContact O-CB 3.29Å; F526-Y530 PolarHBondContact O-N 2.96Å
527H97.9Very high96.3Very high0 Ų019.6 Ų19.60%014%0.136CC..Hα-helixtrans-64.5-36.9-178.7-153111.6000112C15 L478 L481 S482 A485 G523 R524 L525 Y530 L531C15-H527 HydrophobicContact CB-CB 4.44Å; L478-H527 HydrophobicContact CD1-CB 3.95Å; L478-H527 HydrophobicContact CD2-CB 3.99Å; L481-H527 WeakPolarHBondContact CA-NE2 3.23Å; S482-H527 PolarHBondContact N-CE1 3.37Å; S482-H527 VanDerWaalsContact N-CE1 3.29Å; S482-H527 PolarHBondContact N-NE2 2.74Å; S482-H527 PolarHBondContact O-CE1 2.95Å; A485-H527 VanDerWaalsContact CB-CE1 3.46Å; A485-H527 WeakPolarHBondContact CB-CE1 3.37Å; G523-H527 VanDerWaalsContact O-CB 3.3Å; G523-H527 WeakPolarHBondContact O-CB 3.37Å; G523-H527 PolarHBondContact O-N 3.49Å; R524-H527 PolarHBondContact O-N 2.93Å; L525-H527 VanDerWaalsContact C-N 3.34Å; L525-H527 PolarHBondContact O-N 2.88Å; H527-Y530 WeakPolarHBondContact O-CB 3.43Å; H527-Y530 PolarHBondContact O-N 3.18Å; H527-L531 VanDerWaalsContact O-CG 3.3Å; H527-L531 WeakPolarHBondContact O-CG 3.39Å; H527-L531 PolarHBondContact O-N 3.37Å; H527-L531 VanDerWaalsContact O-N 3.12Å
528S97.6Very high96.2Very high31 Ų3126.4 Ų26.422%0.21717%0.167CC..Hα-helixtrans-65.3-45.1173.8-168.70000111.9R524 L525 F526 Y530 L531 L532R524-S528 WeakPolarHBondContact O-CB 3.23Å; R524-S528 PolarHBondContact O-N 2.93Å; L525-S528 PolarHBondContact O-N 3.48Å; F526-S528 VanDerWaalsContact C-N 3.32Å; F526-S528 PolarHBondContact O-N 2.83Å; S528-Y530 VanDerWaalsContact C-N 3.32Å; S528-Y530 PolarHBondContact O-N 3.38Å; S528-L531 PolarHBondContact O-N 3.02Å; S528-L532 WeakPolarHBondContact O-CG 3.31Å; S528-L532 PolarHBondContact O-N 3.26Å; S528-L532 VanDerWaalsContact O-N 3.1Å
529K98Very high96.3Very high2 Ų228.6 Ų28.61%0.00918%0.178CC..Hα-helixtrans-65.4-35.3177.6-63.3-60-179.1179.70112.1S460 Q461 L525 F526 L532 A533 L542 D544S460-K529 WeakPolarHBondContact OG-CB 3.44Å; Q461-K529 HydrophobicContact CB-CB 4.47Å; Q461-K529 HydrophobicContact CB-CG 4.04Å; L525-K529 HydrophobicContact CD1-CG 4.43Å; L525-K529 HydrophobicContact CG-CG 4.45Å; L525-K529 VanDerWaalsContact O-CG 3.32Å; L525-K529 WeakPolarHBondContact O-CG 3.46Å; L525-K529 PolarHBondContact O-N 3.38Å; F526-K529 PolarHBondContact O-N 3.37Å; K529-L532 HydrophobicContact CD-CD1 4.48Å; K529-L532 PolarHBondContact O-N 3.39Å; K529-A533 WeakPolarHBondContact O-CB 3.49Å; K529-A533 PolarHBondContact O-N 3Å; K529-L542 HydrophobicContact CB-CD1 4.19Å; K529-L542 HydrophobicContact CD-CD1 4.08Å; K529-L542 VanDerWaalsContact CD-O 3.24Å; K529-L542 WeakPolarHBondContact CD-O 3.44Å; K529-L542 WeakPolarHBondContact CE-O 3.32Å; K529-L542 PolarHBondContact NZ-O 3.45Å; K529-L542 WeakPolarHBondContact O-CD1 3.38Å; K529-D544 IonicContact NZ-OD1 3.61Å; K529-D544 PolarHBondContact NZ-OD1 3.4Å; K529-D544 IonicContact NZ-OD2 3.19Å; K529-D544 PolarHBondContact NZ-OD2 3.43Å
530Y98.3Very high96.3Very high4 Ų427.3 Ų27.32%0.01618%0.179CC..Hα-helixtrans-58.9-49.3171.8-178.3-83.1000112.2A457 R484 A485 L488 F526 H527 S528 L532 A533 H534A457-Y530 HydrophobicContact CB-CD2 4.21Å; R484-Y530 WeakPolarHBondContact CD-OH 3.44Å; A485-Y530 HydrophobicContact CB-CD1 3.59Å; A485-Y530 HydrophobicContact CB-CD2 3.96Å; A485-Y530 HydrophobicContact CB-CE1 3.93Å; A485-Y530 HydrophobicContact CB-CE2 4.26Å; A485-Y530 HydrophobicContact CB-CG 3.62Å; L488-Y530 HydrophobicContact CD1-CD2 4.23Å; L488-Y530 HydrophobicContact CD1-CE2 3.71Å; F526-Y530 HydrophobicContact CZ-CD2 4.42Å; F526-Y530 WeakPolarHBondContact O-CB 3.29Å; F526-Y530 PolarHBondContact O-N 2.96Å; H527-Y530 WeakPolarHBondContact O-CB 3.43Å; H527-Y530 PolarHBondContact O-N 3.18Å; S528-Y530 VanDerWaalsContact C-N 3.32Å; S528-Y530 PolarHBondContact O-N 3.38Å; Y530-L532 VanDerWaalsContact C-N 3.31Å; Y530-L532 PolarHBondContact O-N 3.29Å; Y530-A533 PolarHBondContact O-N 2.73Å; Y530-H534 AromaticContact CD1-CD2 3.92Å; Y530-H534 AromaticContact CD2-CD2 3.7Å; Y530-H534 AromaticContact CD2-NE2 3.8Å; Y530-H534 AromaticContact CE1-CD2 3.55Å; Y530-H534 AromaticContact CE2-CD2 3.31Å; Y530-H534 WeakPolarHBondContact CE2-CD2 3.32Å; Y530-H534 AromaticContact CE2-NE2 3.1Å; Y530-H534 WeakPolarHBondContact CE2-NE2 3.31Å; Y530-H534 AromaticContact CG-CD2 3.97Å; Y530-H534 AromaticContact CZ-CD2 3.2Å; Y530-H534 AromaticContact CZ-NE2 3.26Å; Y530-H534 VanDerWaalsContact CZ-NE2 3.26Å; Y530-H534 PolarHBondContact O-CD2 3.07Å; Y530-H534 PolarHBondContact O-N 3.22Å; Y530-H534 PolarHBondContact OH-NE2 2.8Å
531L97.4Very high96.5Very high23 Ų2332.2 Ų32.212%0.1220%0.2CC..Hα-helixtrans-64-36.5179.1-65.3171.1000112P479 V480 H527 S528 G535 T578P479-L531 HydrophobicContact CG-CD1 4.16Å; V480-L531 HydrophobicContact CG1-CD1 4.38Å; V480-L531 HydrophobicContact CG1-CD2 3.84Å; H527-L531 VanDerWaalsContact O-CG 3.3Å; H527-L531 WeakPolarHBondContact O-CG 3.39Å; H527-L531 PolarHBondContact O-N 3.37Å; H527-L531 VanDerWaalsContact O-N 3.12Å; S528-L531 PolarHBondContact O-N 3.02Å; L531-G535 WeakPolarHBondContact O-CA 3.23Å; L531-G535 PolarHBondContact O-N 3.17Å; L531-T578 HydrophobicContact CD2-CG2 3.52Å
532L97.4Very high96.4Very high39 Ų3932.2 Ų32.220%0.20420%0.2CC..Hα-helixtrans-67.5-48.9174.4-70.5171.9000111.8S528 K529 Y530 G535 G536 A537 E541 L542S528-L532 WeakPolarHBondContact O-CG 3.31Å; S528-L532 PolarHBondContact O-N 3.26Å; S528-L532 VanDerWaalsContact O-N 3.1Å; K529-L532 HydrophobicContact CD-CD1 4.48Å; K529-L532 PolarHBondContact O-N 3.39Å; Y530-L532 VanDerWaalsContact C-N 3.31Å; Y530-L532 PolarHBondContact O-N 3.29Å; L532-G535 CarbonylContact O-C 3.5Å; L532-G535 PolarHBondContact O-N 2.9Å; L532-G536 PolarHBondContact O-N 3.32Å; L532-A537 HydrophobicContact CB-CB 3.9Å; L532-A537 HydrophobicContact CD2-CB 4.11Å; L532-A537 VanDerWaalsContact O-CB 3.23Å; L532-A537 WeakPolarHBondContact O-CB 3.37Å; L532-A537 PolarHBondContact O-N 2.96Å; L532-E541 HydrophobicContact CD2-CG 4.38Å; L532-L542 HydrophobicContact CB-CD1 3.96Å
533A97.4Very high96.5Very high8 Ų832.2 Ų32.27%0.06620%0.2CC..Hα-helixtrans-61.1-51.3-178.900000112.1E453 D456 K529 Y530 G535 G536 L542E453-A533 HydrophobicContact CB-CB 4.23Å; E453-A533 WeakPolarHBondContact O-CB 3.3Å; D456-A533 HydrophobicContact CB-CB 4.14Å; K529-A533 WeakPolarHBondContact O-CB 3.49Å; K529-A533 PolarHBondContact O-N 3Å; Y530-A533 PolarHBondContact O-N 2.73Å; A533-G535 PolarHBondContact O-N 3.24Å; A533-G536 PolarHBondContact O-N 2.8Å; A533-L542 HydrophobicContact CB-CD1 4.22Å
534H96.9Very high96.4Very high9 Ų935.9 Ų35.94%0.04222%0.22CC..Hα-helixtrans-72.8-15.2176.2-72.4-84.1000113.7S451 E453 D454 Y530 G536 R574 R576S451-H534 PolarHBondContact OG-CE1 3.25Å; E453-H534 VanDerWaalsContact CB-CE1 3.41Å; E453-H534 WeakPolarHBondContact CB-CE1 3.42Å; E453-H534 WeakPolarHBondContact CB-ND1 3.39Å; D454-H534 IonicContact OD1-CE1 2.9Å; D454-H534 IonicContact OD1-NE2 2.6Å; D454-H534 PolarHBondContact OD1-NE2 3.3Å; Y530-H534 AromaticContact CD1-CD2 3.92Å; Y530-H534 AromaticContact CD2-CD2 3.7Å; Y530-H534 AromaticContact CD2-NE2 3.8Å; Y530-H534 AromaticContact CE1-CD2 3.55Å; Y530-H534 AromaticContact CE2-CD2 3.31Å; Y530-H534 WeakPolarHBondContact CE2-CD2 3.32Å; Y530-H534 AromaticContact CE2-NE2 3.1Å; Y530-H534 WeakPolarHBondContact CE2-NE2 3.31Å; Y530-H534 AromaticContact CG-CD2 3.97Å; Y530-H534 AromaticContact CZ-CD2 3.2Å; Y530-H534 AromaticContact CZ-NE2 3.26Å; Y530-H534 VanDerWaalsContact CZ-NE2 3.26Å; Y530-H534 PolarHBondContact O-CD2 3.07Å; Y530-H534 PolarHBondContact O-N 3.22Å; Y530-H534 PolarHBondContact OH-NE2 2.8Å; H534-G536 VanDerWaalsContact C-N 3.29Å; H534-R574 PolarHBondContact ND1-O 2.89Å; H534-R576 PolarHBondContact ND1-N 3.26Å
535G94.9Very high96.3Very high63 Ų6337.1 Ų37.165%0.64924%0.239SC*.THydrogen-bonded Turntrans-79.6-5.7170.600000114.4L531 L532 A533L531-G535 WeakPolarHBondContact O-CA 3.23Å; L531-G535 PolarHBondContact O-N 3.17Å; L532-G535 CarbonylContact O-C 3.5Å; L532-G535 PolarHBondContact O-N 2.9Å; A533-G535 PolarHBondContact O-N 3.24Å
536G93.3Very high96.3Very high65 Ų6539.7 Ų39.767%0.6725%0.253SS*.THydrogen-bonded Turntrans78.224.2-177.900000114.2L532 A533 H534L532-G536 PolarHBondContact O-N 3.32Å; A533-G536 PolarHBondContact O-N 2.8Å; H534-G536 VanDerWaalsContact C-N 3.29Å
537A94.4Very high96.1Very high21 Ų2146.2 Ų46.217%0.17428%0.284CS..  trans-62.6144.2178.700000112.4L532 E541L532-A537 HydrophobicContact CB-CB 3.9Å; L532-A537 HydrophobicContact CD2-CB 4.11Å; L532-A537 VanDerWaalsContact O-CB 3.23Å; L532-A537 WeakPolarHBondContact O-CB 3.37Å; L532-A537 PolarHBondContact O-N 2.96Å; A537-E541 HydrophobicContact CB-CB 4.49Å; A537-E541 HydrophobicContact CB-CG 4.42Å
538E95.3Very high95.9Very high143 Ų14351.7 Ų51.767%0.66831%0.309SS*.  trans-59.7150.5175.1-86.5-68173.700111.8S540 E541 L542E538-S540 PolarHBondContact O-N 3.41Å; E538-E541 PolarHBondContact O-N 3.49Å; E538-L542 PolarHBondContact O-N 2.75Å
539K95.1Very high95.9Very high71 Ų7150.3 Ų50.331%0.30930%0.299SS..Hα-helixtrans-61.9-31.6-179.2-63.8-50.3-175.8-157.90112.8D456 L542 L543 L550 F553D456-K539 IonicContact OD1-NZ 2.7Å; D456-K539 IonicContact OD2-NZ 3.91Å; D456-K539 PolarHBondContact OD2-NZ 3.43Å; K539-L542 HydrophobicContact CD-CD2 4.17Å; K539-L543 WeakPolarHBondContact O-CD2 3.22Å; K539-L543 PolarHBondContact O-N 3.14Å; K539-L543 VanDerWaalsContact O-N 3.09Å; K539-L550 HydrophobicContact CB-CD1 3.91Å; K539-F553 HydrophobicContact CD-CE1 4.15Å
540S95Very high95.8Very high65 Ų6552 Ų5246%0.45531%0.308SS..Hα-helixtrans-61.1-46.9172.8-170.90000111.7E538 L543 D544 G545E538-S540 PolarHBondContact O-N 3.41Å; S540-L543 CarbonylContact O-C 3.55Å; S540-L543 PolarHBondContact O-N 3.34Å; S540-D544 PolarHBondContact O-N 2.92Å; S540-G545 WeakPolarHBondContact O-CA 3.46Å; S540-G545 PolarHBondContact O-N 2.83Å
541E95.7Very high95.7Very high108 Ų10855.6 Ų55.651%0.50533%0.334SS..Hα-helixtrans-66.4-44.7177.6-176.9180-178.200111.7L532 A537 E538 L543 D544L532-E541 HydrophobicContact CD2-CG 4.38Å; A537-E541 HydrophobicContact CB-CB 4.49Å; A537-E541 HydrophobicContact CB-CG 4.42Å; E538-E541 PolarHBondContact O-N 3.49Å; E541-L543 PolarHBondContact O-N 3.31Å; E541-L543 VanDerWaalsContact O-N 3.16Å; E541-D544 PolarHBondContact O-N 3.5Å
542L96.2Very high95.7Very high0 Ų055.5 Ų55.50%033%0.333CS..Hα-helixtrans-58.7-29.2177.1-176.167.8000112.4D456 K529 L532 A533 E538 K539 F553D456-L542 HydrophobicContact CB-CD2 4.03Å; K529-L542 HydrophobicContact CB-CD1 4.19Å; K529-L542 HydrophobicContact CD-CD1 4.08Å; K529-L542 VanDerWaalsContact CD-O 3.24Å; K529-L542 WeakPolarHBondContact CD-O 3.44Å; K529-L542 WeakPolarHBondContact CE-O 3.32Å; K529-L542 PolarHBondContact NZ-O 3.45Å; K529-L542 WeakPolarHBondContact O-CD1 3.38Å; L532-L542 HydrophobicContact CB-CD1 3.96Å; A533-L542 HydrophobicContact CB-CD1 4.22Å; E538-L542 PolarHBondContact O-N 2.75Å; K539-L542 HydrophobicContact CD-CD2 4.17Å; L542-F553 HydrophobicContact CD2-CZ 4.31Å
543L97.6Very high95.7Very high1 Ų153.9 Ų53.91%0.00532%0.324CS..THydrogen-bonded Turntrans-102.822.9177.1-72.7-47.3000113.4K539 S540 E541 G545 D546 C549 L550 F553K539-L543 WeakPolarHBondContact O-CD2 3.22Å; K539-L543 PolarHBondContact O-N 3.14Å; K539-L543 VanDerWaalsContact O-N 3.09Å; S540-L543 CarbonylContact O-C 3.55Å; S540-L543 PolarHBondContact O-N 3.34Å; E541-L543 PolarHBondContact O-N 3.31Å; E541-L543 VanDerWaalsContact O-N 3.16Å; L543-G545 PolarHBondContact O-N 3.17Å; L543-D546 PolarHBondContact O-N 2.85Å; L543-D546 VanDerWaalsContact O-N 3.08Å; L543-C549 HydrophobicContact CB-CB 4.19Å; L543-C549 HydrophobicContact CD1-CB 4.3Å; L543-C549 HydrophobicContact CG-CB 4.44Å; L543-L550 HydrophobicContact CD2-CD1 4.21Å; L543-F553 HydrophobicContact CD1-CB 3.98Å; L543-F553 HydrophobicContact CD1-CD2 4.15Å; L543-F553 HydrophobicContact CD1-CG 4.14Å; L543-F553 HydrophobicContact CD2-CB 4.2Å; L543-F553 HydrophobicContact CD2-CD1 3.87Å; L543-F553 HydrophobicContact CD2-CD2 4.17Å; L543-F553 HydrophobicContact CD2-CE1 4.28Å; L543-F553 HydrophobicContact CD2-CG 3.81Å; L543-F553 HydrophobicContact CG-CB 4.09Å; L543-F553 HydrophobicContact CG-CG 4.22Å
544D95Very high95.7Very high77 Ų7757.1 Ų57.141%0.41234%0.343SS..THydrogen-bonded Turntrans57.424.9176.9-54.5-41.1000114.8K468 K529 S540 E541 D546K468-D544 WeakPolarHBondContact CE-OD2 3.47Å; K468-D544 IonicContact NZ-OD2 2.78Å; K468-D544 PolarHBondContact NZ-OD2 3.27Å; K529-D544 IonicContact NZ-OD1 3.61Å; K529-D544 PolarHBondContact NZ-OD1 3.4Å; K529-D544 IonicContact NZ-OD2 3.19Å; K529-D544 PolarHBondContact NZ-OD2 3.43Å; S540-D544 PolarHBondContact O-N 2.92Å; E541-D544 PolarHBondContact O-N 3.5Å; D544-D546 PolarHBondContact O-N 3.29Å
545G93.6Very high95.7Very high46 Ų4660.2 Ų60.247%0.47436%0.357SS..THydrogen-bonded Turntrans74.93.3-175.600000114.8S540 L543S540-G545 WeakPolarHBondContact O-CA 3.46Å; S540-G545 PolarHBondContact O-N 2.83Å; L543-G545 PolarHBondContact O-N 3.17Å
546D96.3Very high95.9Very high58 Ų5857.4 Ų57.431%0.3133%0.327SS..  trans-85.3119-176.6-173.3-79000112.2L467 L543 D544 F548 C549 L550L467-D546 HydrophobicContact CD1-CB 4.3Å; L543-D546 PolarHBondContact O-N 2.85Å; L543-D546 VanDerWaalsContact O-N 3.08Å; D544-D546 PolarHBondContact O-N 3.29Å; D546-F548 VanDerWaalsContact C-N 3.34Å; D546-F548 PolarHBondContact O-N 2.89Å; D546-F548 WeakPolarHBondContact OD1-CA 3.46Å; D546-F548 VanDerWaalsContact OD1-CB 3.3Å; D546-F548 WeakPolarHBondContact OD1-CB 3.22Å; D546-F548 PolarHBondContact OD1-N 3.37Å; D546-C549 HydrophobicContact CB-CB 4.02Å; D546-C549 PolarHBondContact O-N 2.97Å; D546-C549 PolarHBondContact OD1-N 3.35Å; D546-L550 WeakPolarHBondContact O-CB 3.31Å; D546-L550 PolarHBondContact O-N 3.01Å
547M94.8Very high96.1Very high136 Ų13655.3 Ų55.367%0.6730%0.3SS*.Hα-helixtrans-70.1-26.9-177-69.5-60-58.300113.7L550 S551M547-L550 HydrophobicContact CE-CD2 4.24Å; M547-L550 HydrophobicContact SD-CD2 4.15Å; M547-S551 WeakPolarHBondContact O-CB 3.45Å; M547-S551 PolarHBondContact O-N 2.78Å
548F94.3Very high96.2Very high116 Ų11660.1 Ų60.151%0.50932%0.318SS..Hα-helixtrans-73.8-45.5175.6175.3-95.3000109.9D546 L550 S551 Q552D546-F548 VanDerWaalsContact C-N 3.34Å; D546-F548 PolarHBondContact O-N 2.89Å; D546-F548 WeakPolarHBondContact OD1-CA 3.46Å; D546-F548 VanDerWaalsContact OD1-CB 3.3Å; D546-F548 WeakPolarHBondContact OD1-CB 3.22Å; D546-F548 PolarHBondContact OD1-N 3.37Å; F548-L550 VanDerWaalsContact C-N 3.33Å; F548-L550 PolarHBondContact O-N 3.08Å; F548-S551 PolarHBondContact O-N 3.27Å; F548-Q552 HydrophobicContact CD1-CG 4.33Å; F548-Q552 HydrophobicContact CE1-CG 3.92Å; F548-Q552 HydrophobicContact CE2-CG 4.31Å; F548-Q552 VanDerWaalsContact CZ-CD 3.47Å; F548-Q552 HydrophobicContact CZ-CG 3.91Å; F548-Q552 WeakPolarHBondContact O-CG 3.24Å; F548-Q552 PolarHBondContact O-N 3.14Å
549C96.4Very high96.3Very high2 Ų256.7 Ų56.71%0.01430%0.302CS..Hα-helixtrans-57.8-43.9171.4-72.80000111.9V463 L467 L543 D546 S551 Q552 F553V463-C549 VanDerWaalsContact CG1-CA 3.46Å; V463-C549 HydrophobicContact CG1-CB 3.68Å; V463-C549 WeakPolarHBondContact CG1-O 3.46Å; L467-C549 WeakPolarHBondContact CD1-SG 2.95Å; L543-C549 HydrophobicContact CB-CB 4.19Å; L543-C549 HydrophobicContact CD1-CB 4.3Å; L543-C549 HydrophobicContact CG-CB 4.44Å; D546-C549 HydrophobicContact CB-CB 4.02Å; D546-C549 PolarHBondContact O-N 2.97Å; D546-C549 PolarHBondContact OD1-N 3.35Å; C549-S551 PolarHBondContact O-N 3.28Å; C549-Q552 PolarHBondContact O-N 3.03Å; C549-F553 WeakPolarHBondContact O-CB 3.26Å; C549-F553 PolarHBondContact O-N 3.43Å
550L97.2Very high96.5Very high38 Ų3853.3 Ų53.320%0.19929%0.287CS..Hα-helixtrans-59.6-46175.7-176.662000112.2K539 L543 D546 M547 F548 F553 V554K539-L550 HydrophobicContact CB-CD1 3.91Å; L543-L550 HydrophobicContact CD2-CD1 4.21Å; D546-L550 WeakPolarHBondContact O-CB 3.31Å; D546-L550 PolarHBondContact O-N 3.01Å; M547-L550 HydrophobicContact CE-CD2 4.24Å; M547-L550 HydrophobicContact SD-CD2 4.15Å; F548-L550 VanDerWaalsContact C-N 3.33Å; F548-L550 PolarHBondContact O-N 3.08Å; L550-F553 PolarHBondContact O-N 3.26Å; L550-V554 HydrophobicContact CD1-CG2 4.37Å; L550-V554 WeakPolarHBondContact O-CG2 3.49Å; L550-V554 PolarHBondContact O-N 3.38Å
551S96.4Very high96.5Very high79 Ų7952.3 Ų52.355%0.55228%0.276SS*.Hα-helixtrans-61.7-48.2177.9-172.90000112.4M547 F548 C549 F553 V554 Q555M547-S551 WeakPolarHBondContact O-CB 3.45Å; M547-S551 PolarHBondContact O-N 2.78Å; F548-S551 PolarHBondContact O-N 3.27Å; C549-S551 PolarHBondContact O-N 3.28Å; S551-F553 PolarHBondContact O-N 3.33Å; S551-V554 PolarHBondContact O-N 3.15Å; S551-Q555 PolarHBondContact O-N 3.23Å; S551-Q555 VanDerWaalsContact O-N 3.11Å
552Q96.4Very high96.5Very high21 Ų2150.2 Ų50.210%0.09827%0.266CS..Hα-helixtrans-62.6-43.7176.7-63.1-147.4-68.500111.6V463 R466 F548 C549 V554 Q555 L556V463-Q552 HydrophobicContact CG1-CB 3.95Å; V463-Q552 HydrophobicContact CG2-CB 4.3Å; R466-Q552 VanDerWaalsContact NH1-OE1 3.08Å; F548-Q552 HydrophobicContact CD1-CG 4.33Å; F548-Q552 HydrophobicContact CE1-CG 3.92Å; F548-Q552 HydrophobicContact CE2-CG 4.31Å; F548-Q552 VanDerWaalsContact CZ-CD 3.47Å; F548-Q552 HydrophobicContact CZ-CG 3.91Å; F548-Q552 WeakPolarHBondContact O-CG 3.24Å; F548-Q552 PolarHBondContact O-N 3.14Å; C549-Q552 PolarHBondContact O-N 3.03Å; Q552-V554 PolarHBondContact O-N 3.38Å; Q552-Q555 PolarHBondContact O-N 3Å; Q552-L556 VanDerWaalsContact O-CG 3.24Å; Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 3.25Å
553F98Very high96.5Very high4 Ų450.3 Ų50.32%0.01827%0.267CS..Hα-helixtrans-59.1-45.5178.3171.5-91.3000112.3D456 L459 K539 L542 L543 C549 L550 S551 L556 K557D456-F553 HydrophobicContact CB-CZ 4.23Å; D456-F553 WeakPolarHBondContact OD1-CZ 3.37Å; L459-F553 HydrophobicContact CB-CD2 3.81Å; L459-F553 HydrophobicContact CB-CE2 3.81Å; K539-F553 HydrophobicContact CD-CE1 4.15Å; L542-F553 HydrophobicContact CD2-CZ 4.31Å; L543-F553 HydrophobicContact CD1-CB 3.98Å; L543-F553 HydrophobicContact CD1-CD2 4.15Å; L543-F553 HydrophobicContact CD1-CG 4.14Å; L543-F553 HydrophobicContact CD2-CB 4.2Å; L543-F553 HydrophobicContact CD2-CD1 3.87Å; L543-F553 HydrophobicContact CD2-CD2 4.17Å; L543-F553 HydrophobicContact CD2-CE1 4.28Å; L543-F553 HydrophobicContact CD2-CG 3.81Å; L543-F553 HydrophobicContact CG-CB 4.09Å; L543-F553 HydrophobicContact CG-CG 4.22Å; C549-F553 WeakPolarHBondContact O-CB 3.26Å; C549-F553 PolarHBondContact O-N 3.43Å; L550-F553 PolarHBondContact O-N 3.26Å; S551-F553 PolarHBondContact O-N 3.33Å; F553-L556 PolarHBondContact O-N 2.89Å; F553-K557 HydrophobicContact CE1-CD 4.31Å; F553-K557 HydrophobicContact CZ-CD 4.17Å; F553-K557 WeakPolarHBondContact O-CB 3.48Å; F553-K557 PolarHBondContact O-N 3.29Å
554V97.7Very high96.5Very high77 Ų7750.3 Ų50.347%0.46727%0.267SS..Hα-helixtrans-62.8-47178.1170.50000110.8L550 S551 Q552 L556 K557 E558L550-V554 HydrophobicContact CD1-CG2 4.37Å; L550-V554 WeakPolarHBondContact O-CG2 3.49Å; L550-V554 PolarHBondContact O-N 3.38Å; S551-V554 PolarHBondContact O-N 3.15Å; Q552-V554 PolarHBondContact O-N 3.38Å; V554-L556 PolarHBondContact O-N 2.89Å; V554-K557 PolarHBondContact O-N 3.37Å; V554-E558 WeakPolarHBondContact O-CB 3.36Å; V554-E558 PolarHBondContact O-N 3.22Å
555Q97.2Very high96.5Very high74 Ų7454.3 Ų54.335%0.34628%0.276SS..Hα-helixtrans-56.9-46.5177.2-174.2-172.512.900112S551 Q552 K559S551-Q555 PolarHBondContact O-N 3.23Å; S551-Q555 VanDerWaalsContact O-N 3.11Å; Q552-Q555 PolarHBondContact O-N 3Å; Q555-K559 PolarHBondContact O-N 3.42Å; Q555-K559 VanDerWaalsContact O-N 3.16Å
556L97.9Very high96.5Very high4 Ų457.8 Ų57.82%0.02128%0.28CS..Hα-helixtrans-68.5-43.7179.8-64.2175.8000111.9I429 L433 L437 L459 V463 Q552 F553 V554 K559 L560I429-L556 HydrophobicContact CD1-CD2 3.69Å; L433-L556 HydrophobicContact CB-CD1 4.46Å; L433-L556 HydrophobicContact CD2-CD1 4.39Å; L437-L556 HydrophobicContact CB-CD2 4.23Å; L437-L556 HydrophobicContact CD1-CB 4.36Å; L437-L556 HydrophobicContact CD1-CD2 4.5Å; L437-L556 WeakPolarHBondContact CD1-O 3.43Å; L437-L556 HydrophobicContact CD2-CD2 3.91Å; L437-L556 HydrophobicContact CG-CD2 4.43Å; L459-L556 HydrophobicContact CD1-CB 4.46Å; L459-L556 HydrophobicContact CD2-CB 4.37Å; V463-L556 HydrophobicContact CG2-CD1 3.73Å; Q552-L556 VanDerWaalsContact O-CG 3.24Å; Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 3.25Å; F553-L556 PolarHBondContact O-N 2.89Å; V554-L556 PolarHBondContact O-N 2.89Å; L556-K559 PolarHBondContact O-N 3.3Å; L556-L560 PolarHBondContact O-N 3.03Å
557K97.9Very high96.3Very high21 Ų2160.6 Ų60.69%0.09129%0.286CS..Hα-helixtrans-65-40.5178.1-173.5172.9-177.4174.70111.3E452 D456 L459 F553 V554 L560 L561E452-K557 IonicContact OE2-NZ 2.74Å; E452-K557 PolarHBondContact OE2-NZ 2.86Å; D456-K557 VanDerWaalsContact OD1-CD 3.23Å; D456-K557 WeakPolarHBondContact OD1-CD 3.48Å; D456-K557 VanDerWaalsContact OD1-CE 3.24Å; D456-K557 WeakPolarHBondContact OD1-CE 3.37Å; D456-K557 IonicContact OD1-NZ 2.73Å; D456-K557 PolarHBondContact OD1-NZ 3.38Å; D456-K557 IonicContact OD2-NZ 2.72Å; D456-K557 PolarHBondContact OD2-NZ 3.15Å; L459-K557 HydrophobicContact CD1-CB 3.9Å; L459-K557 HydrophobicContact CD1-CG 4.46Å; F553-K557 HydrophobicContact CE1-CD 4.31Å; F553-K557 HydrophobicContact CZ-CD 4.17Å; F553-K557 WeakPolarHBondContact O-CB 3.48Å; F553-K557 PolarHBondContact O-N 3.29Å; V554-K557 PolarHBondContact O-N 3.37Å; K557-L560 PolarHBondContact O-N 3.21Å; K557-L561 HydrophobicContact CD-CD1 4.47Å; K557-L561 HydrophobicContact CG-CD1 3.93Å; K557-L561 HydrophobicContact CG-CG 4.26Å; K557-L561 WeakPolarHBondContact O-CB 3.31Å; K557-L561 VanDerWaalsContact O-CG 3.25Å; K557-L561 WeakPolarHBondContact O-CG 3.39Å; K557-L561 PolarHBondContact O-N 3.12Å
558E97.1Very high96.3Very high121 Ų12157.3 Ų57.357%0.56529%0.287SS*.Hα-helixtrans-60.9-46.2176.4-177.7171-154.500111.7V554 L560 L561 E562V554-E558 WeakPolarHBondContact O-CB 3.36Å; V554-E558 PolarHBondContact O-N 3.22Å; E558-L560 PolarHBondContact O-N 3.46Å; E558-L561 PolarHBondContact O-N 3.29Å; E558-E562 WeakPolarHBondContact O-CB 3.47Å; E558-E562 PolarHBondContact O-N 3.02Å
559K97.4Very high96.3Very high72 Ų7253.6 Ų53.631%0.31327%0.27SS..Hα-helixtrans-63.8-38.9177-76.7-73.7157.6-159.50113Y422 L425 L437 Q555 L556 E562 T563Y422-K559 HydrophobicContact CE1-CB 4.11Å; Y422-K559 PolarHBondContact OH-O 3.4Å; L425-K559 HydrophobicContact CD1-CG 4.29Å; L437-K559 HydrophobicContact CD2-CB 4.4Å; Q555-K559 PolarHBondContact O-N 3.42Å; Q555-K559 VanDerWaalsContact O-N 3.16Å; L556-K559 PolarHBondContact O-N 3.3Å; K559-E562 IonicContact NZ-OE2 2.83Å; K559-E562 PolarHBondContact NZ-OE2 3.29Å; K559-E562 PolarHBondContact O-N 3.12Å; K559-T563 PolarHBondContact O-N 3.48Å; K559-T563 PolarHBondContact O-OG1 3.02Å
560L97.8Very high96Very high0 Ų058.7 Ų58.70%030%0.3CS..Hα-helixtrans-64.2-44.7173.1-177.1151.1000111.9L437 V440 T441 V444 V455 L556 K557 E558 E562 T563 C564 L571L437-L560 HydrophobicContact CD1-CB 4.05Å; V440-L560 HydrophobicContact CB-CD1 4.12Å; V440-L560 HydrophobicContact CG1-CD1 3.65Å; T441-L560 WeakPolarHBondContact OG1-CD1 3.38Å; T441-L560 WeakPolarHBondContact OG1-CG 3.41Å; V444-L560 HydrophobicContact CG1-CD2 4.49Å; V444-L560 HydrophobicContact CG2-CD1 4.47Å; V455-L560 HydrophobicContact CG1-CD1 4.03Å; V455-L560 HydrophobicContact CG1-CD2 4.12Å; L556-L560 PolarHBondContact O-N 3.03Å; K557-L560 PolarHBondContact O-N 3.21Å; E558-L560 PolarHBondContact O-N 3.46Å; L560-E562 VanDerWaalsContact C-N 3.33Å; L560-E562 PolarHBondContact O-N 2.84Å; L560-T563 PolarHBondContact O-N 2.86Å; L560-C564 PolarHBondContact O-N 3.29Å; L560-C564 PolarHBondContact O-SG 3.16Å; L560-L571 HydrophobicContact CD2-CD1 3.93Å
561L96.7Very high95.9Very high43 Ų4357.6 Ų57.623%0.22530%0.295CS..Hα-helixtrans-65.9-35.1178.7-73172.2000112.3K557 E558 C564 R565 L571K557-L561 HydrophobicContact CD-CD1 4.47Å; K557-L561 HydrophobicContact CG-CD1 3.93Å; K557-L561 HydrophobicContact CG-CG 4.26Å; K557-L561 WeakPolarHBondContact O-CB 3.31Å; K557-L561 VanDerWaalsContact O-CG 3.25Å; K557-L561 WeakPolarHBondContact O-CG 3.39Å; K557-L561 PolarHBondContact O-N 3.12Å; E558-L561 PolarHBondContact O-N 3.29Å; L561-C564 PolarHBondContact O-N 3.02Å; L561-R565 WeakPolarHBondContact O-CG 3.39Å; L561-R565 PolarHBondContact O-N 3.42Å; L561-L571 HydrophobicContact CD2-CD1 3.92Å
562E95.8Very high95.7Very high65 Ų6558.6 Ų58.630%0.30429%0.291SS..Hα-helixtrans-58.8-50.9171.9-168.9-175.4176.400111.1E558 K559 L560 C564 R565 Q566E558-E562 WeakPolarHBondContact O-CB 3.47Å; E558-E562 PolarHBondContact O-N 3.02Å; K559-E562 IonicContact NZ-OE2 2.83Å; K559-E562 PolarHBondContact NZ-OE2 3.29Å; K559-E562 PolarHBondContact O-N 3.12Å; L560-E562 VanDerWaalsContact C-N 3.33Å; L560-E562 PolarHBondContact O-N 2.84Å; E562-C564 VanDerWaalsContact C-N 3.34Å; E562-C564 PolarHBondContact O-N 3.32Å; E562-R565 PolarHBondContact O-N 2.88Å; E562-Q566 WeakPolarHBondContact O-CG 3.49Å; E562-Q566 PolarHBondContact O-N 2.83Å
563T96.1Very high95.6Very high1 Ų161.1 Ų61.11%0.00631%0.31CS..Hα-helixtrans-59.4-43.3175.7-48.20000112.1H421 Y422 T441 L445 K559 L560 R565 Q566 R567H421-T563 PolarHBondContact CD2-OG1 2.82Å; H421-T563 WeakPolarHBondContact CE1-CG2 3.4Å; H421-T563 VanDerWaalsContact NE2-CG2 3.27Å; H421-T563 WeakPolarHBondContact NE2-CG2 3.2Å; H421-T563 PolarHBondContact NE2-OG1 3.15Å; Y422-T563 PolarHBondContact OH-OG1 3.48Å; T441-T563 HydrophobicContact CG2-CG2 3.76Å; L445-T563 HydrophobicContact CD1-CG2 4.29Å; K559-T563 PolarHBondContact O-N 3.48Å; K559-T563 PolarHBondContact O-OG1 3.02Å; L560-T563 PolarHBondContact O-N 2.86Å; T563-R565 PolarHBondContact O-N 3.19Å; T563-Q566 PolarHBondContact O-N 3.13Å; T563-R567 HydrophobicContact CG2-CG 4.49Å; T563-R567 WeakPolarHBondContact O-CG 3.04Å; T563-R567 PolarHBondContact O-N 3.42Å
564C95.8Very high95.4Very high2 Ų265.6 Ų65.61%0.01433%0.327CS..Hα-helixtrans-59.4-47.3178.3-690000111.3V444 L560 L561 E562 Q566 R567 G568 R569V444-C564 VanDerWaalsContact CG1-SG 3.56Å; L560-C564 PolarHBondContact O-N 3.29Å; L560-C564 PolarHBondContact O-SG 3.16Å; L561-C564 PolarHBondContact O-N 3.02Å; E562-C564 VanDerWaalsContact C-N 3.34Å; E562-C564 PolarHBondContact O-N 3.32Å; C564-Q566 PolarHBondContact O-N 3.22Å; C564-R567 CarbonylContact O-C 3.57Å; C564-R567 PolarHBondContact O-N 2.85Å; C564-R567 VanDerWaalsContact O-N 3.16Å; C564-G568 PolarHBondContact O-N 2.92Å; C564-G568 VanDerWaalsContact O-N 3.14Å; C564-R569 CarbonylContact C-O 3.6Å; C564-R569 HydrophobicContact CB-CB 4.15Å; C564-R569 HydrophobicContact CB-CG 4.3Å; C564-R569 WeakPolarHBondContact CB-O 3.16Å; C564-R569 PolarHBondContact O-N 3.01Å
565R95Very high95Very high160 Ų16065.9 Ų65.960%0.60433%0.331SS*.Hα-helixtrans-58.6-46.3175.1-71.1-176.5-62.3-104.95112.1L561 E562 T563 R567 G568L561-R565 WeakPolarHBondContact O-CG 3.39Å; L561-R565 PolarHBondContact O-N 3.42Å; E562-R565 PolarHBondContact O-N 2.88Å; T563-R565 PolarHBondContact O-N 3.19Å; R565-R567 PolarHBondContact O-N 2.9Å; R565-G568 PolarHBondContact O-N 2.93Å
566Q94.1Very high94.5Very high119 Ų11965.9 Ų65.956%0.55633%0.327SS*.Hα-helixtrans-61.9-28.2178.2-70174.57.400113.2E562 T563 C564E562-Q566 WeakPolarHBondContact O-CG 3.49Å; E562-Q566 PolarHBondContact O-N 2.83Å; T563-Q566 PolarHBondContact O-N 3.13Å; C564-Q566 PolarHBondContact O-N 3.22Å
567R93.5Very high93.2Very high118 Ų11871.7 Ų71.745%0.44535%0.354SS..THydrogen-bonded Turntrans-989.6178.7-60.8-57.6-177.6115.76.5114.2D418 L445 T563 C564 R565 R569D418-R567 VanDerWaalsContact CG-NH1 3.33Å; D418-R567 IonicContact OD1-CZ 3.64Å; D418-R567 IonicContact OD1-NH1 3.83Å; D418-R567 PolarHBondContact OD1-NH1 3.5Å; D418-R567 IonicContact OD1-NH2 3.44Å; D418-R567 PolarHBondContact OD1-NH2 3.01Å; D418-R567 IonicContact OD2-CZ 3.68Å; D418-R567 IonicContact OD2-NH1 2.81Å; D418-R567 PolarHBondContact OD2-NH1 3.26Å; D418-R567 IonicContact OD2-NH2 2.79Å; D418-R567 PolarHBondContact OD2-NH2 3.34Å; L445-R567 HydrophobicContact CD1-CG 4.47Å; L445-R567 HydrophobicContact CD2-CB 3.82Å; L445-R567 HydrophobicContact CD2-CG 4.17Å; T563-R567 HydrophobicContact CG2-CG 4.49Å; T563-R567 WeakPolarHBondContact O-CG 3.04Å; T563-R567 PolarHBondContact O-N 3.42Å; C564-R567 CarbonylContact O-C 3.57Å; C564-R567 PolarHBondContact O-N 2.85Å; C564-R567 VanDerWaalsContact O-N 3.16Å; R565-R567 PolarHBondContact O-N 2.9Å; R567-R569 PolarHBondContact O-N 3.02Å
568G93.6Very high91.5Very high66 Ų6672.4 Ų72.468%0.6836%0.361SS*.THydrogen-bonded Turntrans70.19-179.100000114.7C564 R565 V570C564-G568 PolarHBondContact O-N 2.92Å; C564-G568 VanDerWaalsContact O-N 3.14Å; R565-G568 PolarHBondContact O-N 2.93Å; G568-V570 PolarHBondContact O-N 3.28Å
569R94.3Very high89.4Confident39 Ų3969.3 Ų69.315%0.14735%0.346CS..  trans-84113.5177.9176.459.8166.3117.3-1.3109.4V444 L445 V447 E448 L450 C564 R567V444-R569 HydrophobicContact CG1-CG 4.23Å; V444-R569 PolarHBondContact O-NE 3.23Å; L445-R569 HydrophobicContact CD2-CB 4.03Å; L445-R569 HydrophobicContact CD2-CG 4.39Å; V447-R569 PolarHBondContact O-NH2 3.38Å; E448-R569 VanDerWaalsContact C-NH2 3.32Å; E448-R569 VanDerWaalsContact O-CZ 3.3Å; E448-R569 PolarHBondContact O-NH1 3.24Å; E448-R569 PolarHBondContact O-NH2 3.46Å; L450-R569 PolarHBondContact O-NH2 2.79Å; C564-R569 CarbonylContact C-O 3.6Å; C564-R569 HydrophobicContact CB-CB 4.15Å; C564-R569 HydrophobicContact CB-CG 4.3Å; C564-R569 WeakPolarHBondContact CB-O 3.16Å; C564-R569 PolarHBondContact O-N 3.01Å; R567-R569 PolarHBondContact O-N 3.02Å
570V91.3Very high87Confident108 Ų10871.8 Ų71.866%0.65536%0.357SS*.  trans-95.2115169.9-177.50000108.2G568G568-V570 PolarHBondContact O-N 3.28Å
571L93.6Very high84.5Confident16 Ų1675.2 Ų75.28%0.08438%0.375CS..  trans-72.3141.4166.6-78.5173000109.1V444 E452 V455 L560 L561V444-L571 HydrophobicContact CG1-CD1 4.24Å; V444-L571 HydrophobicContact CG1-CD2 3.83Å; V444-L571 HydrophobicContact CG1-CG 4.16Å; E452-L571 HydrophobicContact CG-CB 3.89Å; V455-L571 HydrophobicContact CG2-CD1 4.01Å; V455-L571 HydrophobicContact CG2-CD2 4.31Å; L560-L571 HydrophobicContact CD2-CD1 3.93Å; L561-L571 HydrophobicContact CD2-CD1 3.92Å
572Q93.3Very high82Confident100 Ų10077 Ų7747%0.46739%0.385SS..BIsolated β-bridgetrans-116.6135.6175.5-67.9-179.6-12.600108.7S451 E452 R574S451-Q572 WeakPolarHBondContact CA-O 3.31Å; S451-Q572 WeakPolarHBondContact CB-O 3.47Å; E452-Q572 PolarHBondContact N-O 2.74Å; E452-Q572 VanDerWaalsContact N-O 3.14Å; Q572-R574 HydrophobicContact CB-CG 4.24Å; Q572-R574 PolarHBondContact O-N 3.49Å; Q572-R574 VanDerWaalsContact OE1-NE 3.14Å
573S94.5Very high79.5Confident73 Ų7382 Ų8251%0.5140%0.401SS..  trans-61.8123.9162.41730000108.8E453 P575E453-S573 WeakPolarHBondContact OE1-CA 3.24Å; E453-S573 VanDerWaalsContact OE1-CB 3.31Å; E453-S573 WeakPolarHBondContact OE1-CB 3.49Å; E453-S573 PolarHBondContact OE1-OG 3.39Å; E453-S573 WeakPolarHBondContact OE2-CA 3.42Å; S573-P575 WeakPolarHBondContact OG-CD 3.47Å
574R92.7Very high77Confident99 Ų9991.5 Ų91.537%0.37444%0.437SS..  trans-141.868.2176.1-60.2-176.3179.6-178.21.1108.5E453 H534 Q572 R576E453-R574 PolarHBondContact OE2-N 3.34Å; H534-R574 PolarHBondContact ND1-O 2.89Å; Q572-R574 HydrophobicContact CB-CG 4.24Å; Q572-R574 PolarHBondContact O-N 3.49Å; Q572-R574 VanDerWaalsContact OE1-NE 3.14Å; R574-R576 WeakPolarHBondContact O-CG 3.48Å; R574-R576 PolarHBondContact O-N 3.26Å
575P89.6Confident74.2Confident83 Ų8394.2 Ų94.254%0.53946%0.456SS..  trans-56.4133.4174.425.3-34.7000109.3S573S573-P575 WeakPolarHBondContact OG-CD 3.47Å
576R87.2Confident71.6Confident73 Ų7394.2 Ų94.228%0.27546%0.46SS..  trans-112123.2-176-64.7-166.8-174.5-132.4-2.2108.8D329 R484 H534 R574 T578D329-R576 IonicContact OD2-CZ 2.73Å; D329-R576 IonicContact OD2-NH1 3.34Å; D329-R576 PolarHBondContact OD2-NH1 2.89Å; D329-R576 IonicContact OD2-NH2 3.28Å; D329-R576 PolarHBondContact OD2-NH2 3.46Å; R484-R576 VanDerWaalsContact CZ-NH2 3.31Å; H534-R576 PolarHBondContact ND1-N 3.26Å; R574-R576 WeakPolarHBondContact O-CG 3.48Å; R574-R576 PolarHBondContact O-N 3.26Å; R576-T578 PolarHBondContact O-N 3.21Å
577E69.8Low69Low126 Ų12692.3 Ų92.359%0.58947%0.465SS*.  trans-59.7125.1175.3-71.5-162.6165.600110.6N581E577-N581 HydrophobicContact CB-CB 4.37Å
578T62.5Low66.4Low37 Ų3791.5 Ų91.523%0.22748%0.477CS..  trans-71.2143.5172.761.80000109.4L531 R576 K580 N581L531-T578 HydrophobicContact CD2-CG2 3.52Å; R576-T578 PolarHBondContact O-N 3.21Å; T578-K580 PolarHBondContact O-N 3.17Å; T578-N581 PolarHBondContact O-N 3.35Å
579Q53Low63.5Low55 Ų5590.9 Ų90.926%0.25747%0.471SS..Hα-helixtrans-59.1-13.4-166.7-70.2171.6-10.300115.5I74 K75 N581 L582 R583I74-Q579 PolarHBondContact O-OE1 3.05Å; K75-Q579 PolarHBondContact O-OE1 2.66Å; Q579-N581 VanDerWaalsContact C-N 3.31Å; Q579-L582 PolarHBondContact O-N 2.94Å; Q579-R583 PolarHBondContact O-N 2.88Å
580K47.7Very low60.3Low125 Ų12598 Ų9854%0.54350%0.503SS..Hα-helixtrans-61.7-35.8168.5-115.4167179.7162.10112.7P479 T578 R583 R584P479-K580 PolarHBondContact O-NZ 3.12Å; T578-K580 PolarHBondContact O-N 3.17Å; K580-R583 PolarHBondContact O-N 3.28Å; K580-R584 PolarHBondContact O-N 3.03Å
581N44.3Very low57.4Low71 Ų7198.8 Ų98.838%0.3851%0.51SS..Hα-helixtrans-71.2-36.8178-73.2-5000112E577 T578 Q579 R583 R584 S585E577-N581 HydrophobicContact CB-CB 4.37Å; T578-N581 PolarHBondContact O-N 3.35Å; Q579-N581 VanDerWaalsContact C-N 3.31Å; N581-R583 VanDerWaalsContact C-N 3.3Å; N581-R583 PolarHBondContact O-N 2.94Å; N581-R584 CarbonylContact O-C 3.56Å; N581-R584 WeakPolarHBondContact O-CA 3.43Å; N581-R584 PolarHBondContact O-N 3.19Å; N581-S585 PolarHBondContact O-N 3.45Å; N581-S585 PolarHBondContact O-OG 3Å
582L45.3Very low54.6Low81 Ų81104 Ų10442%0.42455%0.548SS..Hα-helixtrans-60-35.1172.9-86.6125.2000113.6Q579 S585 K586Q579-L582 PolarHBondContact O-N 2.94Å; L582-S585 PolarHBondContact O-OG 3.45Å; L582-K586 WeakPolarHBondContact O-CB 3.43Å; L582-K586 WeakPolarHBondContact O-CG 3.31Å; L582-K586 PolarHBondContact O-N 3.36Å
583R43.6Very low51.5Low171 Ų171103.9 Ų103.965%0.64557%0.565SS**Hα-helixtrans-73.6-28.6173.3-69.6-169.3-179.1-169.13.3112.4Q76 Q579 K580 N581Q76-R583 PolarHBondContact O-NH2 3.49Å; Q579-R583 PolarHBondContact O-N 2.88Å; K580-R583 PolarHBondContact O-N 3.28Å; N581-R583 VanDerWaalsContact C-N 3.3Å; N581-R583 PolarHBondContact O-N 2.94Å
584R42.7Very low48.3Very low199 Ų199105 Ų10575%0.75158%0.578SS**Hα-helixtrans-77.5-43.1175.5-118.8178175.1-179-3.3112.4K580 N581 A587 S588K580-R584 PolarHBondContact O-N 3.03Å; N581-R584 CarbonylContact O-C 3.56Å; N581-R584 WeakPolarHBondContact O-CA 3.43Å; N581-R584 PolarHBondContact O-N 3.19Å; R584-A587 WeakPolarHBondContact O-CB 3.49Å; R584-A587 PolarHBondContact O-N 2.85Å; R584-A587 VanDerWaalsContact O-N 3.11Å; R584-S588 PolarHBondContact O-N 3.45Å; R584-S588 PolarHBondContact O-OG 3.07Å
585S37.1Very low45.3Very low59 Ų59107.2 Ų107.241%0.41360%0.597SS.*Hα-helixtrans-69.9-35.6-179.667.30000112.6N581 L582 A587 S588N581-S585 PolarHBondContact O-N 3.45Å; N581-S585 PolarHBondContact O-OG 3Å; L582-S585 PolarHBondContact O-OG 3.45Å; S585-A587 PolarHBondContact O-N 3.23Å; S585-S588 WeakPolarHBondContact CA-OG 3.49Å; S585-S588 PolarHBondContact O-N 3.14Å; S585-S588 PolarHBondContact O-OG 2.97Å
586K41.1Very low42.3Very low160 Ų160112.7 Ų112.770%0.69662%0.615SS**THydrogen-bonded Turntrans-67.2-21.9169.5-72.6-175.6177.5-175.40113.6L582L582-K586 WeakPolarHBondContact O-CB 3.43Å; L582-K586 WeakPolarHBondContact O-CG 3.31Å; L582-K586 PolarHBondContact O-N 3.36Å
587A39.4Very low39.3Very low80 Ų80112.2 Ų112.266%0.66163%0.634SS**THydrogen-bonded Turntrans-84.4-20175.200000113.4R584 S585R584-A587 WeakPolarHBondContact O-CB 3.49Å; R584-A587 PolarHBondContact O-N 2.85Å; R584-A587 VanDerWaalsContact O-N 3.11Å; S585-A587 PolarHBondContact O-N 3.23Å
588S37.8Very low37.1Very low100 Ų100118.4 Ų118.470%0.69965%0.652SS**SBendtrans-91.77175.952.50000114.3R584 S585R584-S588 PolarHBondContact O-N 3.45Å; R584-S588 PolarHBondContact O-OG 3.07Å; S585-S588 WeakPolarHBondContact CA-OG 3.49Å; S585-S588 PolarHBondContact O-N 3.14Å; S585-S588 PolarHBondContact O-OG 2.97Å
589G32.5Very low35.3Very low53 Ų53123 Ų12355%0.54668%0.68SS.*  trans-108.641.3-169.300000116
590F28.6Very low34Very low189 Ų189124 Ų12483%0.82971%0.705SS**  trans-125.6114.8170.3-85.3-80.8000111S592F590-S592 PolarHBondContact O-N 3.19Å
591P30.3Very low32.8Very low124 Ų124127 Ų12781%0.80572%0.721SS**  trans-71.7122.5165.2-9.225.5000109.3A593P591-A593 PolarHBondContact O-N 3.26Å
592S33.6Very low31.9Very low126 Ų126129.3 Ų129.388%0.88174%0.738SS**  trans-69.5121.4167.7171.60000109.8F590F590-S592 PolarHBondContact O-N 3.19Å
593A27.6Very low30.9Very low98 Ų98135 Ų13581%0.8175%0.754SS**  trans-133.8128.3166.600000109.2P591P591-A593 PolarHBondContact O-N 3.26Å
594A28.6Very low30Very low95 Ų95135.3 Ų135.379%0.78576%0.755SS**  trans-93.8142.9-174.300000112.4
595D28.1Very low29.1Very low146 Ų146132 Ų13278%0.78175%0.752SS**  trans43.9105.8136.4-15020000120
596Q27.9Very low28.6Very low198 Ų198136.3 Ų136.393%0.92577%0.77SS**  trans-164.7115141.3-112.6158.583.700109.4
597G24Very low27.8Very low64 Ų64136.6 Ų136.666%0.6677%0.773SS**  trans-89.4158.4-178.200000113.9
598W23.6Very low27.2Very low256 Ų256141.7 Ų141.797%0.9778%0.783SS**  trans-149.8149156-93.887.9000109.8
599T25.3Very low26.5Very low133 Ų133140.3 Ų140.382%0.81679%0.785SS**  trans-88151.8-174.647.60000113.5
600G24.1Very low26.2Very low77 Ų77146.2 Ų146.279%0.79480%0.799SS**  trans168.898165.100000119.1
601E24Very low26Very low188 Ų188141.5 Ų141.588%0.87979%0.785SS**  trans14.5128.2140.3-74.3-175.2151.900124.6
602T25Very low25.7Very low118 Ų118144.4 Ų144.472%0.72478%0.78SS**  trans41.5121.4131.417.70000125.4
603R24.6Very low25.4Very low202 Ų202146.9 Ų146.976%0.76277%0.77SS**  77.4135.5124.6-125.1-167.5177.31711.9122.3
604R24.1Very low25.3Very low176 Ų176149 Ų14966%0.66476%0.764SS**  trans84.4122.7151.2-71.2-166175.7156.4-2.4121.4
605D24.6Very low24.9Very low131 Ų131156.7 Ų156.770%0.70177%0.772SS**  50121.4124.8-45.7-32.5000121.1
606L25.9Very low24.9Very low148 Ų148157.6 Ų157.678%0.77577%0.772SS**  178.6109.9122-90.4158.6000107.4
607Q23.7Very low24.7Very low166 Ų166153 Ų15378%0.77677%0.768SS**  52.1117.495.7-70-170.4-7.600115.7
608H26.6Very low24.6Very low187 Ų187154.5 Ų154.587%0.86677%0.774SS**  -179.3122.9122.8-91.175.5000103.6
609G23.4Very low24.5Very low72 Ų72148.3 Ų148.374%0.74277%0.768SS**  85.7124.453.500000108.4
610Q26.3Very low24.3Very low177 Ų177145.3 Ų145.383%0.82776%0.763SS**  cis-160.5130.610-107.3177.6100108.6
611T24.6Very low24.2Very low90 Ų90150.8 Ų150.855%0.55277%0.768SS**  48.4119.5108.567.40000116.5
612W24.9Very low24.1Very low185 Ų185150.7 Ų150.770%0.70177%0.768SS**  161.5169.588.2-78.7124.7000107.1
613R25.8Very low24Very low178 Ų178150.8 Ų150.867%0.67277%0.773SS**  cis-153.5139.8-11.3-113.2164.9-162.7-165.43.3105.8
614Q25.1Very low23.9Very low142 Ų142144.1 Ų144.166%0.66477%0.768SS**  56.1111.269-116.6-172.8-1.600116
615R22.2Very low23.8Very low256 Ų256146.9 Ų146.997%0.96678%0.78SS**  trans-148.286.5142.4-119-176.3-174.9179.72110.2
616E26.2Very low23.7Very low166 Ų166149.5 Ų149.578%0.77679%0.788SS**  trans-85149.7152.2-66.2172.4121.500109
617A24.1Very low23.6Very low102 Ų102149.2 Ų149.284%0.84379%0.787SS**  trans168.7145.914800000107.2
618A22.6Very low23.6Very low94 Ų94146.3 Ų146.378%0.77778%0.782SS**  cis-169.2170.8-19.600000103.8
619C21.9Very low23.7Very low127 Ų127146 Ų14686%0.85878%0.781SS**  cis-164.2156.418.2-142.60000108.7
620G21Very low23.7Very low69 Ų69148.2 Ų148.271%0.71178%0.781SS**  trans84140.5144.800000118.1
621E22.6Very low23.7Very low193 Ų193143.7 Ų143.790%0.90277%0.766SS**  cis-144.1167-0.3-70.7-175125.100112.2
622Q21.1Very low23.7Very low186 Ų186146 Ų14687%0.86977%0.771SS**  trans-36.1160.4161.8-69.8163.1-9.500113.7
623S22.1Very low23.6Very low119 Ų119150 Ų15083%0.83279%0.786SS**  cis166.7138.3-0.6162.60000104
624G23.7Very low23.6Very low63 Ų63149.9 Ų149.965%0.64979%0.786SS**  trans124.777.7167.700000115.2
625Y21.8Very low23.6Very low234 Ų234147.2 Ų147.292%0.91879%0.788SS**  trans-126.798.2155.7-85.9-79.5000108.9
626E21.5Very low23.7Very low186 Ų186141.4 Ų141.487%0.86978%0.776SS**  trans-62139.7159.2-67.7-176.1136.200108.7P628E626-P628 VanDerWaalsContact O-CD 3.26Å; E626-P628 WeakPolarHBondContact O-CD 3.3Å
627N24.5Very low23.7Very low142 Ų142142 Ų14276%0.75978%0.778SS**  trans-87.9111-168.3-171.127.8000110.6E629N627-E629 PolarHBondContact O-N 3.41Å
628P23.3Very low23.6Very low104 Ų104148.4 Ų148.468%0.67578%0.781SS**  trans-86.596.6178.6-121.8000109.6E626 T630E626-P628 VanDerWaalsContact O-CD 3.26Å; E626-P628 WeakPolarHBondContact O-CD 3.3Å; P628-T630 PolarHBondContact O-N 3.11Å; P628-T630 PolarHBondContact O-OG1 2.94Å; P628-T630 VanDerWaalsContact O-OG1 3.06Å
629E28.5Very low23.6Very low181 Ų181147.1 Ų147.185%0.84678%0.777SS**  trans-56.9125.3170.5-64.5-167.1141.600110.7N627N627-E629 PolarHBondContact O-N 3.41Å
630T23.7Very low23.7Very low119 Ų119145 Ų14573%0.7378%0.776SS**  trans-145.2156.1179.117.70000110.4P628P628-T630 PolarHBondContact O-N 3.11Å; P628-T630 PolarHBondContact O-OG1 2.94Å; P628-T630 VanDerWaalsContact O-OG1 3.06Å
631P26.6Very low23.7Very low81 Ų81145.5 Ų145.553%0.52678%0.782SS.*  -93140.9-111.5-10.227.7000113.8W633P631-W633 PolarHBondContact O-N 3.04Å
632Q24.4Very low23.7Very low140 Ų140144.5 Ų144.565%0.65478%0.777SS**  trans-76.1120.8168.6-67.1169.1-29.700109.8R634Q632-R634 HydrophobicContact CB-CG 3.86Å; Q632-R634 PolarHBondContact O-N 2.94Å
633W23.5Very low23.8Very low267 Ų267140.6 Ų140.6100%1.01177%0.771SS**  trans-68.377.9161-75.498.6000109.5P631P631-W633 PolarHBondContact O-N 3.04Å
634R25.3Very low23.8Very low177 Ų177143.7 Ų143.767%0.66877%0.769SS**  trans-81.4131.4172.2-66.4-168.5-175.5-153.65109.8Q632 D636Q632-R634 HydrophobicContact CB-CG 3.86Å; Q632-R634 PolarHBondContact O-N 2.94Å; R634-D636 VanDerWaalsContact C-N 3.31Å; R634-D636 PolarHBondContact O-N 3.23Å
635A26Very low23.7Very low85 Ų85148.6 Ų148.670%0.70278%0.775SS**  trans-72.389.3161.600000108.9H637A635-H637 VanDerWaalsContact C-N 3.31Å; A635-H637 PolarHBondContact O-N 2.76Å
636D23.2Very low23.8Very low134 Ų134143.1 Ų143.172%0.71777%0.771SS**  trans-70.786.6177.2-101.110.3000111.1R634 R638R634-D636 VanDerWaalsContact C-N 3.31Å; R634-D636 PolarHBondContact O-N 3.23Å; D636-R638 VanDerWaalsContact C-N 3.34Å; D636-R638 PolarHBondContact O-N 3.23Å
637H26.2Very low23.8Very low179 Ų179142 Ų14283%0.82977%0.765SS**  trans-72.586.7163.5-79.8-82.9000110.3A635A635-H637 VanDerWaalsContact C-N 3.31Å; A635-H637 PolarHBondContact O-N 2.76Å
638R21.9Very low23.7Very low236 Ų236143.5 Ų143.589%0.89177%0.772SS**  trans-9976.3155.3-71.5-165-175.1-154.53.4110.4D636D636-R638 VanDerWaalsContact C-N 3.34Å; D636-R638 PolarHBondContact O-N 3.23Å
639G23.8Very low23.7Very low68 Ų68143.8 Ų143.870%0.70178%0.777SS**  trans-100112.2160.700000108.9G641G639-G641 PolarHBondContact O-N 3.06Å
640G23.1Very low23.3Very low82 Ų82142.8 Ų142.885%0.84578%0.777SS**  trans-61.6130.5171.600000110Q642G640-Q642 PolarHBondContact O-N 2.81Å
641G21.7Very low23.3Very low80 Ų80142.6 Ų142.683%0.82578%0.781SS**  trans-72125.7-178.600000112.1G639G639-G641 PolarHBondContact O-N 3.06Å
642Q22.5Very low23.1Very low171 Ų171149.3 Ų149.380%0.79980%0.798SS**  trans-136.9114147.9-90-177.97.700108.2G640G640-Q642 PolarHBondContact O-N 2.81Å
643S22.4Very low23.1Very low105 Ų105152 Ų15273%0.73481%0.81SS**  trans-74.6123174.342.70000110
644F22.2Very low23.1Very low183 Ų183142.9 Ų142.980%0.80380%0.798SS**  trans-124.6109.4160.7-85.5-79.1000109.9S646F644-S646 PolarHBondContact O-N 3.3Å
645H22.2Very low23Very low167 Ų167145.2 Ų145.277%0.77381%0.807SS**  trans-64.6121.4163.9-68.3-88.1000108.6
646S22.7Very low22.9Very low119 Ų119147.2 Ų147.283%0.83281%0.813SS**  trans-97.2111.116244.60000109F644F644-S646 PolarHBondContact O-N 3.3Å
647H22Very low23Very low163 Ų163146.9 Ų146.976%0.75581%0.811SS**  trans-65148.6179.3-78.1-104.5000111.9S649H647-S649 PolarHBondContact O-N 3.1Å
648L22.1Very low22.9Very low172 Ų172146.2 Ų146.290%0.90181%0.813SS**  trans-60.4131.3157.2-76.186.3000108.9
649S23Very low22.9Very low111 Ų111144.6 Ų144.678%0.77681%0.807SS**  trans-125.6110.416432.80000109.4H647H647-S649 PolarHBondContact O-N 3.1Å
650N21.7Very low23Very low159 Ų159149.3 Ų149.385%0.8582%0.816SS**  trans-65.7136.5164.2-77.1-30.2000109.3
651S23.3Very low23.1Very low116 Ų116157 Ų15781%0.81182%0.819SS**  trans-145119.1152.953.20000109.8
652Y22Very low23.3Very low222 Ų222158.9 Ų158.987%0.87182%0.817SS**  trans-78.3-179.8165.2-99.8-104.6000110.2
653E24.2Very low23.6Very low197 Ų197155.9 Ų155.992%0.92181%0.812SS**  trans77.1133.7-179-50.3-175.8173.900114.6
654G23.3Very low23.7Very low74 Ų74160.1 Ų160.176%0.76382%0.818SS**  cis-166.4154.5-5.700000111.1
655R23.5Very low23.7Very low227 Ų227158.9 Ų158.986%0.85782%0.815SS**  trans-70.6156.9175.1-74.3-173.3177.5-168.60.7111.2
656P24Very low23.8Very low126 Ų126159 Ų15982%0.81882%0.821SS**  -121.6160.4106.5-3.523.2000114.2
657L24.6Very low24Very low128 Ų128164 Ų16467%0.6782%0.821SS**  trans-69.4151.1170-73.373.4000110.5
658N24.4Very low24Very low164 Ų164159.2 Ų159.288%0.87782%0.817SS**  trans-139.7138.8133.1-142.4-15.1000112.2
659R22.4Very low24.2Very low203 Ų203163 Ų16377%0.76682%0.819SS**  trans-90.2141.1177.5-73.7171164.3169.7-6108.4
660N25.4Very low24.3Very low166 Ų166164.9 Ų164.989%0.88882%0.819SS**  -175.2120.7129.8-91.6-24.3000111.6
661R25.8Very low24.4Very low243 Ų243165.8 Ų165.892%0.91782%0.818SS**  trans-132.6135.6164.1-96.7-171.8175.5-178.6-1107.6
662P26.7Very low24.4Very low121 Ų121169.1 Ų169.179%0.78682%0.821SS**  trans-106.3166.5146.8-4.225000111.6
663P27.8Very low24.5Very low107 Ų107166 Ų16670%0.69582%0.819SS**  trans-129.7177.4-148.342.8-29.1000117.4
664K23.9Very low24.7Very low194 Ų194168.7 Ų168.784%0.84382%0.821SS**  trans78.6137.5166.1-56.6176.3179.2178.60115
665Q23.2Very low25.2Very low158 Ų158168.5 Ų168.574%0.73882%0.819SS**  -147.4155.250.1-72.2-177.2-4.400115.4
666N23.9Very low25.2Very low168 Ų168169.4 Ų169.490%0.89882%0.822SS**  trans-76.3122.8164.6-85.3-11.5000111.5
667R26.5Very low25.5Very low224 Ų224173.4 Ų173.485%0.84582%0.823SS**  trans-146.5128.2148.8-61.2-174.2-177.7-178.2-1.1104.2
668G21.8Very low25.7Very low64 Ų64176.3 Ų176.366%0.6683%0.833SS**  cis129.6122.933.300000104.6L670G668-L670 PolarHBondContact O-N 2.77Å; G668-L670 VanDerWaalsContact O-N 3.14Å
669R27.7Very low26Very low252 Ų252175.2 Ų175.295%0.95183%0.826SS**  trans-58.3120.3-173.7-69.8179.5178.1-179.4-1.5109.9
670L23.3Very low26.6Very low149 Ų149168 Ų16878%0.7881%0.81SS**  trans-114.3115.9171.4-82.8166.1000109G668 H672G668-L670 PolarHBondContact O-N 2.77Å; G668-L670 VanDerWaalsContact O-N 3.14Å; L670-H672 PolarHBondContact O-N 2.86Å
671H24.1Very low27.3Very low179 Ų179162.4 Ų162.483%0.82978%0.782SS**PPolyproline II helixtrans-63.3118165.6-72.9-92.3000108.4N673H671-N673 PolarHBondContact O-N 3.17Å
672H25Very low28.2Very low186 Ų186161.2 Ų161.286%0.86178%0.778SS**PPolyproline II helixtrans-81.2117.6170.3-89.9-57.5000110.4L670L670-H672 PolarHBondContact O-N 2.86Å
673N23.2Very low29.1Very low156 Ų156156.6 Ų156.683%0.83475%0.745SS**PPolyproline II helixtrans-60.6146.1179.1-81.6-32.3000112.6H671H671-N673 PolarHBondContact O-N 3.17Å
674R28.6Very low30Very low253 Ų253159.9 Ų159.996%0.95575%0.751SS**SBendtrans-58.7146.5162.6-68.5174169173.7-5.8110.7
675G33.1Very low31.1Very low71 Ų71152 Ų15273%0.73272%0.717SS**  trans80.182.1147.900000117.8
676R24.5Very low31.9Very low245 Ų245146.2 Ų146.293%0.92569%0.693SS**  trans-146.8115.2132.6-102.1-179.2-170.9-171.51.7108.2Q678R676-Q678 PolarHBondContact O-N 2.9Å
677Y30.2Very low32.2Very low210 Ų210143.8 Ų143.882%0.82469%0.687SS**PPolyproline II helixtrans-57127.8170.8-66.1-88.2000108.8L679Y677-L679 PolarHBondContact O-N 3.32Å
678Q28.9Very low32.5Very low190 Ų190135 Ų13589%0.88866%0.662SS**PPolyproline II helixtrans-63.6128.8160.9-75.6179-24.100106.7R676 A680R676-Q678 PolarHBondContact O-N 2.9Å; Q678-A680 PolarHBondContact O-N 3.05Å
679L30.4Very low33.2Very low141 Ų141133.4 Ų133.474%0.73864%0.64SS**PPolyproline II helixtrans-57.3134.3171.3-67.8170.2000108Y677Y677-L679 PolarHBondContact O-N 3.32Å
680A35Very low33.4Very low50 Ų50127.5 Ų127.541%0.41362%0.624SS.*PPolyproline II helixtrans-52.8155.5178.700000111.6A301 Q678 R682A301-A680 HydrophobicContact CB-CB 4.29Å; Q678-A680 PolarHBondContact O-N 3.05Å; A680-R682 PolarHBondContact O-N 3.16Å
681P40.4Very low34Very low49 Ų49126.3 Ų126.332%0.31862%0.616SS.*PPolyproline II helixtrans-49120.3175-2735.3000110.2D106 F108 W683D106-P681 WeakPolarHBondContact OD1-CB 3.32Å; D106-P681 VanDerWaalsContact OD1-CG 3.24Å; D106-P681 WeakPolarHBondContact OD1-CG 3.38Å; F108-P681 HydrophobicContact CE1-CB 4.25Å; F108-P681 HydrophobicContact CZ-CB 3.97Å; P681-W683 PolarHBondContact O-N 3.14Å
682R43.2Very low34.5Very low218 Ų218123.4 Ų123.482%0.82360%0.604SS**  trans-76.960.6-176.7-70-171.3179.5-170.50.6111.5A680 Q684A680-R682 PolarHBondContact O-N 3.16Å; R682-Q684 PolarHBondContact O-N 3.22Å
683W46.3Very low35.1Very low24 Ų24119.7 Ų119.79%0.09159%0.589CS.*  trans-77.4107149.5-17239.4000107.3F43 F108 E117 Y121 H125 P681 H685 P686F43-W683 HydrophobicContact CE1-CE3 4.42Å; F43-W683 HydrophobicContact CE1-CH2 4.02Å; F43-W683 AromaticContact CE1-CZ3 3.67Å; F43-W683 HydrophobicContact CE1-CZ3 3.67Å; F43-W683 HydrophobicContact CZ-CE3 4.45Å; F43-W683 HydrophobicContact CZ-CH2 4.26Å; F43-W683 HydrophobicContact CZ-CZ3 4.01Å; F108-W683 HydrophobicContact CD1-CE3 4.21Å; F108-W683 HydrophobicContact CE1-CB 3.85Å; F108-W683 HydrophobicContact CE1-CE3 4.35Å; F108-W683 HydrophobicContact CG-CE3 4.41Å; F108-W683 HydrophobicContact CZ-CB 3.76Å; E117-W683 HydrophobicContact CB-CH2 4.37Å; Y121-W683 AromaticContact CD2-CD1 3.92Å; Y121-W683 AromaticContact CD2-CD2 3.72Å; Y121-W683 HydrophobicContact CD2-CD2 3.72Å; Y121-W683 AromaticContact CD2-CE2 3.63Å; Y121-W683 HydrophobicContact CD2-CE3 4.27Å; Y121-W683 AromaticContact CD2-CG 3.89Å; Y121-W683 HydrophobicContact CD2-CG 3.89Å; Y121-W683 HydrophobicContact CD2-CZ2 4.07Å; Y121-W683 AromaticContact CD2-NE1 3.8Å; Y121-W683 HydrophobicContact CE2-CB 4.21Å; Y121-W683 AromaticContact CE2-CD1 3.97Å; Y121-W683 HydrophobicContact CE2-CD2 4.15Å; Y121-W683 AromaticContact CE2-CG 3.86Å; Y121-W683 HydrophobicContact CE2-CG 3.86Å; H125-W683 AromaticContact CE1-CD1 3.42Å; H125-W683 VanDerWaalsContact CE1-CD1 3.42Å; H125-W683 AromaticContact CE1-NE1 3.6Å; H125-W683 AromaticContact NE2-CD1 3.86Å; P681-W683 PolarHBondContact O-N 3.14Å; W683-H685 VanDerWaalsContact C-N 3.29Å; W683-H685 HydrophobicContact CE3-CB 4.48Å; W683-H685 AromaticContact CE3-CD2 3.41Å; W683-H685 VanDerWaalsContact CE3-CD2 3.41Å; W683-H685 AromaticContact CE3-CE1 3.57Å; W683-H685 AromaticContact CE3-CG 3.68Å; W683-H685 AromaticContact CE3-ND1 3.77Å; W683-H685 AromaticContact CE3-NE2 3.35Å; W683-H685 VanDerWaalsContact CE3-NE2 3.35Å; W683-H685 AromaticContact CH2-ND1 3.78Å; W683-H685 HydrophobicContact CZ3-CB 4.49Å; W683-H685 AromaticContact CZ3-CD2 3.76Å; W683-H685 AromaticContact CZ3-CE1 3.15Å; W683-H685 WeakPolarHBondContact CZ3-CE1 3.45Å; W683-H685 AromaticContact CZ3-CG 3.63Å; W683-H685 AromaticContact CZ3-ND1 3.24Å; W683-H685 WeakPolarHBondContact CZ3-ND1 3.33Å; W683-H685 AromaticContact CZ3-NE2 3.48Å; W683-H685 WeakPolarHBondContact CZ3-NE2 3.25Å; W683-H685 PolarHBondContact O-N 3.39Å; W683-P686 HydrophobicContact CZ2-CG 4.17Å
684Q47.8Very low35.8Very low177 Ų177117.4 Ų117.483%0.82757%0.574SS**  trans-65.5103.9152.9-70.9-179.7-1500104.9R682R682-Q684 PolarHBondContact O-N 3.22Å
685H46.6Very low36.3Very low29 Ų29108.4 Ų108.413%0.13455%0.548CS..  trans-45.2144.5166.7-81.7-112.4000107.9E117 V300 W683E117-H685 IonicContact OE2-CE1 3.96Å; E117-H685 PolarHBondContact OE2-CE1 3.41Å; E117-H685 IonicContact OE2-ND1 2.78Å; V300-H685 WeakPolarHBondContact CG1-NE2 3.44Å; V300-H685 VanDerWaalsContact CG2-NE2 3.27Å; V300-H685 WeakPolarHBondContact CG2-NE2 3.39Å; W683-H685 VanDerWaalsContact C-N 3.29Å; W683-H685 HydrophobicContact CE3-CB 4.48Å; W683-H685 AromaticContact CE3-CD2 3.41Å; W683-H685 VanDerWaalsContact CE3-CD2 3.41Å; W683-H685 AromaticContact CE3-CE1 3.57Å; W683-H685 AromaticContact CE3-CG 3.68Å; W683-H685 AromaticContact CE3-ND1 3.77Å; W683-H685 AromaticContact CE3-NE2 3.35Å; W683-H685 VanDerWaalsContact CE3-NE2 3.35Å; W683-H685 AromaticContact CH2-ND1 3.78Å; W683-H685 HydrophobicContact CZ3-CB 4.49Å; W683-H685 AromaticContact CZ3-CD2 3.76Å; W683-H685 AromaticContact CZ3-CE1 3.15Å; W683-H685 WeakPolarHBondContact CZ3-CE1 3.45Å; W683-H685 AromaticContact CZ3-CG 3.63Å; W683-H685 AromaticContact CZ3-ND1 3.24Å; W683-H685 WeakPolarHBondContact CZ3-ND1 3.33Å; W683-H685 AromaticContact CZ3-NE2 3.48Å; W683-H685 WeakPolarHBondContact CZ3-NE2 3.25Å; W683-H685 PolarHBondContact O-N 3.39Å
686P38.5Very low36.5Very low35 Ų35111.1 Ų111.123%0.22754%0.535CS..PPolyproline II helixtrans-48.8142.6159.725.9-34000107.1W683 A688W683-P686 HydrophobicContact CZ2-CG 4.17Å; P686-A688 PolarHBondContact O-N 2.65Å
687P32Very low37.4Very low118 Ų118100.8 Ų100.877%0.76651%0.505SS*.PPolyproline II helixtrans-46.1138.617719.5-31.5000109
688A32.6Very low38.1Very low40 Ų4091.7 Ų91.733%0.33148%0.479SS..PPolyproline II helixtrans-51.1135.9167.600000107V278 P686V278-A688 HydrophobicContact CG2-CB 4.07Å; P686-A688 PolarHBondContact O-N 2.65Å
689P34.9Very low38.9Very low29 Ų2982.7 Ų82.719%0.18844%0.442CS..  trans-64.60-175.736.1-42.3000111.4I276 V278I276-P689 VanDerWaalsContact C-OXT 3.29Å; I276-P689 HydrophobicContact CB-CB 3.89Å; I276-P689 HydrophobicContact CB-CG 4.16Å; I276-P689 HydrophobicContact CD1-CB 4.46Å; I276-P689 HydrophobicContact CG1-CB 4.14Å; I276-P689 PolarHBondContact N-OXT 2.68Å; I276-P689 CarbonylContact O-C 3.55Å; V278-P689 WeakPolarHBondContact CG2-O 3.42Å; V278-P689 PolarHBondContact N-O 2.7Å

Retrieved 689 of 689 residues in 215.7 ms (Link to these results)

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