A0A5K4FBD2_SCHMA Loading...

SB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 404 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
1M45Very low62.4Low209 Ų20982.2 Ų82.2100%1.0345%0.45SS*.  0115.90-83.4175.3-134.900107.2
2S54.7Low64.3Low65 Ų6576.2 Ų76.246%0.45542%0.417SS..  trans-62.3148173.3-179.70000109.5D4 E5S2-D4 PolarHBondContact O-N 2.94Å; S2-D4 PolarHBondContact OG-N 2.65Å; S2-E5 PolarHBondContact N-OE2 2.94Å; S2-E5 PolarHBondContact O-N 2.76Å
3A54.9Low65.8Low23 Ų2376.5 Ų76.519%0.1944%0.436CS..Hα-helixtrans-52.1-26.417300000112.1W6 L29A3-W6 VanDerWaalsContact C-CD1 3.46Å; A3-W6 VanDerWaalsContact CA-CD1 3.49Å; A3-W6 PolarHBondContact O-NE1 3.31Å; A3-L29 HydrophobicContact CB-CB 4.4Å; A3-L29 HydrophobicContact CB-CD1 3.7Å
4D57.5Low67.4Low78 Ų7880.6 Ų80.642%0.41745%0.447SS..Hα-helixtrans-78.8-23.7178.3-82.9-59.7000114.9S2 R22S2-D4 PolarHBondContact O-N 2.94Å; S2-D4 PolarHBondContact OG-N 2.65Å; D4-R22 PolarHBondContact O-NH2 3.47Å; D4-R22 VanDerWaalsContact O-NH2 3.15Å; D4-R22 IonicContact OD1-CZ 3.55Å; D4-R22 IonicContact OD1-NE 3.58Å; D4-R22 IonicContact OD1-NH2 2.73Å; D4-R22 PolarHBondContact OD1-NH2 3.37Å
5E61.1Low69.1Low141 Ų14176 Ų7666%0.65942%0.42SS*.Hα-helixtrans-84.3-33.9-177.2-79.7179.1136.700113S2S2-E5 PolarHBondContact N-OE2 2.94Å; S2-E5 PolarHBondContact O-N 2.76Å
6W63.6Low70.5Confident39 Ų3977 Ų7715%0.14843%0.429CS..Hα-helixtrans-80.5-27.5-173.681.2-81.9000112.6A3 S8 V25 P37 V53A3-W6 VanDerWaalsContact C-CD1 3.46Å; A3-W6 VanDerWaalsContact CA-CD1 3.49Å; A3-W6 PolarHBondContact O-NE1 3.31Å; W6-S8 PolarHBondContact O-N 2.85Å; W6-V25 HydrophobicContact CZ2-CG1 3.79Å; W6-P37 VanDerWaalsContact CD1-CG 3.48Å; W6-P37 HydrophobicContact CD2-CB 3.38Å; W6-P37 HydrophobicContact CD2-CG 3.54Å; W6-P37 HydrophobicContact CE3-CB 3.74Å; W6-P37 HydrophobicContact CE3-CG 4.27Å; W6-P37 HydrophobicContact CG-CB 4.12Å; W6-P37 HydrophobicContact CG-CG 3.71Å; W6-P37 HydrophobicContact CH2-CB 3.22Å; W6-P37 HydrophobicContact CH2-CG 4.4Å; W6-P37 HydrophobicContact CZ2-CB 2.91Å; W6-P37 HydrophobicContact CZ2-CG 3.8Å; W6-P37 HydrophobicContact CZ3-CB 3.65Å; W6-V53 HydrophobicContact CH2-CG1 3.99Å
7I66.2Low71.9Confident5 Ų577.9 Ų77.93%0.02643%0.425CS..  trans-76.773.2173.8-52.9-176.8000108.5L12 R22 V25I7-L12 HydrophobicContact CG2-CD1 3.15Å; I7-L12 HydrophobicContact CG2-CD2 4.25Å; I7-L12 HydrophobicContact CG2-CG 3.49Å; I7-L12 VanDerWaalsContact CG2-CG 3.49Å; I7-R22 HydrophobicContact CD1-CB 4.46Å; I7-R22 HydrophobicContact CD1-CG 4.04Å; I7-R22 HydrophobicContact CG2-CG 4.34Å; I7-R22 PolarHBondContact O-NH1 3.01Å; I7-V25 HydrophobicContact CD1-CB 4.35Å; I7-V25 HydrophobicContact CD1-CG1 3.98Å
8S67.4Low73Confident49 Ų4976.2 Ų76.234%0.34342%0.418SS..  trans-62.7144.3169.280.80000108.8W6 K10 C11 L12W6-S8 PolarHBondContact O-N 2.85Å; S8-K10 PolarHBondContact O-N 3.47Å; S8-K10 WeakPolarHBondContact OG-CB 3.38Å; S8-K10 PolarHBondContact OG-N 2.87Å; S8-C11 WeakPolarHBondContact O-CB 3.46Å; S8-C11 PolarHBondContact O-N 3.31Å; S8-C11 PolarHBondContact OG-N 2.96Å; S8-C11 PolarHBondContact OG-SG 3.46Å; S8-L12 PolarHBondContact O-N 2.83Å
9A65.8Low73.9Confident89 Ų8979.8 Ų79.874%0.73643%0.432SS*.Hα-helixtrans-52.8-25.3171.600000112.1A13A9-A13 PolarHBondContact O-N 3.5Å; A9-A13 VanDerWaalsContact O-N 3.09Å
10K71.3Confident74.9Confident183 Ų18377.9 Ų77.980%0.79642%0.421SS*.Hα-helixtrans-69.3-35176.9-165.1176.8-178.2178.10113.2S8S8-K10 PolarHBondContact O-N 3.47Å; S8-K10 WeakPolarHBondContact OG-CB 3.38Å; S8-K10 PolarHBondContact OG-N 2.87Å
11C79Confident75.8Confident23 Ų2374.1 Ų74.116%0.15540%0.401CS..Hα-helixtrans-69.2-39.1177-65.80000111.3S8 F39S8-C11 WeakPolarHBondContact O-CB 3.46Å; S8-C11 PolarHBondContact O-N 3.31Å; S8-C11 PolarHBondContact OG-N 2.96Å; S8-C11 PolarHBondContact OG-SG 3.46Å; C11-F39 HydrophobicContact CB-CD2 4.21Å; C11-F39 HydrophobicContact CB-CE2 4.28Å; C11-F39 HydrophobicContact CB-CG 4.4Å; C11-F39 WeakPolarHBondContact O-CE2 3.09Å
12L85.6Confident78.1Confident10 Ų1067.9 Ų67.95%0.05237%0.365CS..Hα-helixtrans-87.9-3.7-178.2-65.8-175.7000114.6I7 S8 K14 Y15 P18 V21 R22 V53I7-L12 HydrophobicContact CG2-CD1 3.15Å; I7-L12 HydrophobicContact CG2-CD2 4.25Å; I7-L12 HydrophobicContact CG2-CG 3.49Å; I7-L12 VanDerWaalsContact CG2-CG 3.49Å; S8-L12 PolarHBondContact O-N 2.83Å; L12-K14 PolarHBondContact O-N 3.26Å; L12-Y15 HydrophobicContact CD2-CD2 3.93Å; L12-Y15 HydrophobicContact CD2-CE2 4.25Å; L12-Y15 HydrophobicContact CD2-CG 4.33Å; L12-Y15 PolarHBondContact O-N 3.01Å; L12-P18 HydrophobicContact CB-CB 3.74Å; L12-P18 HydrophobicContact CD1-CB 4.12Å; L12-P18 WeakPolarHBondContact CD1-O 3.41Å; L12-V21 HydrophobicContact CD2-CB 4.14Å; L12-V21 HydrophobicContact CD2-CG1 3.62Å; L12-R22 HydrophobicContact CD1-CB 4.02Å; L12-V53 HydrophobicContact CD2-CG2 3.79Å
13A84Confident79.9Confident80 Ų8071.4 Ų71.466%0.66137%0.369SS*.THydrogen-bonded Turntrans-58.5-21.1-177.100000114.2A9A9-A13 PolarHBondContact O-N 3.5Å; A9-A13 VanDerWaalsContact O-N 3.09Å
14K87.5Confident81.7Confident135 Ų13570.6 Ų70.659%0.58736%0.361SS*.THydrogen-bonded Turntrans-88.9-12.9177.7-64-173.7177.9-174.70114.1L12 E78L12-K14 PolarHBondContact O-N 3.26Å; K14-E78 HydrophobicContact CB-CG 4.42Å
15Y92.4Very high83.5Confident11 Ų1166.9 Ų66.94%0.04334%0.342CS..  trans-84.6141-177.2-74.5-102.6000110.3L12 Y17 V21 V53 L76 F77L12-Y15 HydrophobicContact CD2-CD2 3.93Å; L12-Y15 HydrophobicContact CD2-CE2 4.25Å; L12-Y15 HydrophobicContact CD2-CG 4.33Å; L12-Y15 PolarHBondContact O-N 3.01Å; Y15-Y17 VanDerWaalsContact C-N 3.3Å; Y15-Y17 PolarHBondContact O-N 3.06Å; Y15-V21 HydrophobicContact CD1-CG1 4.49Å; Y15-V21 HydrophobicContact CD1-CG2 3.57Å; Y15-V21 HydrophobicContact CE1-CG2 4.18Å; Y15-V21 HydrophobicContact CG-CG2 4.16Å; Y15-V53 HydrophobicContact CE2-CB 4.42Å; Y15-V53 HydrophobicContact CE2-CG2 3.71Å; Y15-V53 WeakPolarHBondContact OH-CB 3.48Å; Y15-V53 PolarHBondContact OH-N 3.39Å; Y15-L76 HydrophobicContact CE1-CB 4.23Å; Y15-L76 WeakPolarHBondContact CE1-O 3.26Å; Y15-L76 PolarHBondContact OH-O 3.09Å; Y15-F77 WeakPolarHBondContact CD1-O 3.22Å; Y15-F77 WeakPolarHBondContact CE1-O 3.38Å
16T92.5Very high85Confident92 Ų9260.9 Ų60.956%0.56431%0.314SS*.SBendtrans-67-35.4176.6-50.70000111.3P18 E78T16-P18 VanDerWaalsContact C-CD 3.49Å; T16-P18 WeakPolarHBondContact O-CD 3.5Å; T16-E78 PolarHBondContact N-O 3.47Å
17Y93.4Very high86.4Confident93 Ų9361.7 Ų61.737%0.36533%0.326SS..SBendtrans-125.165.4-175.8-52.7-80.2000111.8Y15 Q19 I20 V21 H82Y15-Y17 VanDerWaalsContact C-N 3.3Å; Y15-Y17 PolarHBondContact O-N 3.06Å; Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 3.45Å; Y17-I20 HydrophobicContact CD1-CD1 4.42Å; Y17-I20 HydrophobicContact CG-CD1 4.37Å; Y17-I20 PolarHBondContact O-N 2.88Å; Y17-I20 VanDerWaalsContact O-N 3.15Å; Y17-V21 WeakPolarHBondContact O-CG2 3.41Å; Y17-V21 PolarHBondContact O-N 2.85Å; Y17-V21 VanDerWaalsContact O-N 3.16Å; Y17-H82 AromaticContact CE2-CD2 3.38Å; Y17-H82 WeakPolarHBondContact CE2-CD2 3.37Å; Y17-H82 AromaticContact CE2-NE2 3.98Å; Y17-H82 AromaticContact CZ-CD2 3.72Å; Y17-H82 AromaticContact CZ-NE2 3.83Å
18P92Very high87.8Confident46 Ų4661.5 Ų61.530%0.29932%0.324SS..Hα-helixtrans-61.9-33.9-17126.5-35.6000112.7L12 T16 V21 R22L12-P18 HydrophobicContact CB-CB 3.74Å; L12-P18 HydrophobicContact CD1-CB 4.12Å; L12-P18 WeakPolarHBondContact CD1-O 3.41Å; T16-P18 VanDerWaalsContact C-CD 3.49Å; T16-P18 WeakPolarHBondContact O-CD 3.5Å; P18-V21 PolarHBondContact O-N 3.3Å; P18-R22 WeakPolarHBondContact O-CB 3.3Å; P18-R22 PolarHBondContact O-N 2.89Å
19Q91.1Very high89.1Confident146 Ų14660.1 Ų60.168%0.68231%0.313SS*.Hα-helixtrans-67.4-38.1179.6-59.2-59.8-10.700112.4Y17 R22 R23Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 3.45Å; Q19-R22 PolarHBondContact O-N 2.87Å; Q19-R23 WeakPolarHBondContact O-CB 3.4Å; Q19-R23 PolarHBondContact O-N 2.93Å
20I93.3Very high90.4Very high40 Ų4063.2 Ų63.221%0.20531%0.31CS..Hα-helixtrans-68.9-46.1177.7-56.4179.9000109.7Y17 R22 R23 D24 Y80 P81Y17-I20 HydrophobicContact CD1-CD1 4.42Å; Y17-I20 HydrophobicContact CG-CD1 4.37Å; Y17-I20 PolarHBondContact O-N 2.88Å; Y17-I20 VanDerWaalsContact O-N 3.15Å; I20-R22 VanDerWaalsContact C-N 3.33Å; I20-R22 PolarHBondContact O-N 3.31Å; I20-R23 PolarHBondContact O-N 2.72Å; I20-D24 WeakPolarHBondContact O-CB 3.36Å; I20-D24 VanDerWaalsContact O-CG 3.29Å; I20-D24 PolarHBondContact O-N 3.49Å; I20-Y80 HydrophobicContact CG2-CE1 4.36Å; I20-P81 HydrophobicContact CD1-CG 3.97Å; I20-P81 HydrophobicContact CG2-CB 4.18Å; I20-P81 HydrophobicContact CG2-CG 3.92Å
21V94Very high91.5Very high0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-54.7-49.6174.9178.20000110.6L12 Y15 Y17 P18 R23 D24 V25 V53 L76 Y80L12-V21 HydrophobicContact CD2-CB 4.14Å; L12-V21 HydrophobicContact CD2-CG1 3.62Å; Y15-V21 HydrophobicContact CD1-CG1 4.49Å; Y15-V21 HydrophobicContact CD1-CG2 3.57Å; Y15-V21 HydrophobicContact CE1-CG2 4.18Å; Y15-V21 HydrophobicContact CG-CG2 4.16Å; Y17-V21 WeakPolarHBondContact O-CG2 3.41Å; Y17-V21 PolarHBondContact O-N 2.85Å; Y17-V21 VanDerWaalsContact O-N 3.16Å; P18-V21 PolarHBondContact O-N 3.3Å; V21-R23 PolarHBondContact O-N 3.37Å; V21-D24 PolarHBondContact O-N 3.45Å; V21-V25 HydrophobicContact CG1-CG2 4.15Å; V21-V25 WeakPolarHBondContact O-CB 3.23Å; V21-V25 WeakPolarHBondContact O-CG2 3.37Å; V21-V25 PolarHBondContact O-N 3.31Å; V21-V53 HydrophobicContact CG1-CG1 4.42Å; V21-L76 HydrophobicContact CG1-CD1 4Å; V21-Y80 HydrophobicContact CB-CD1 4.48Å; V21-Y80 HydrophobicContact CG2-CD1 3.66Å; V21-Y80 HydrophobicContact CG2-CE1 4.46Å; V21-Y80 HydrophobicContact CG2-CG 4.46Å
22R92.2Very high92.3Very high77 Ų7757.2 Ų57.229%0.29129%0.292SS..Hα-helixtrans-58-47.7178.8-174.7-176-179.8111.84.3111.5D4 I7 L12 P18 Q19 I20 T26D4-R22 PolarHBondContact O-NH2 3.47Å; D4-R22 VanDerWaalsContact O-NH2 3.15Å; D4-R22 IonicContact OD1-CZ 3.55Å; D4-R22 IonicContact OD1-NE 3.58Å; D4-R22 IonicContact OD1-NH2 2.73Å; D4-R22 PolarHBondContact OD1-NH2 3.37Å; I7-R22 HydrophobicContact CD1-CB 4.46Å; I7-R22 HydrophobicContact CD1-CG 4.04Å; I7-R22 HydrophobicContact CG2-CG 4.34Å; I7-R22 PolarHBondContact O-NH1 3.01Å; L12-R22 HydrophobicContact CD1-CB 4.02Å; P18-R22 WeakPolarHBondContact O-CB 3.3Å; P18-R22 PolarHBondContact O-N 2.89Å; Q19-R22 PolarHBondContact O-N 2.87Å; I20-R22 VanDerWaalsContact C-N 3.33Å; I20-R22 PolarHBondContact O-N 3.31Å; R22-T26 VanDerWaalsContact O-CB 3.25Å; R22-T26 WeakPolarHBondContact O-CB 3.47Å; R22-T26 PolarHBondContact O-N 2.89Å; R22-T26 PolarHBondContact O-OG1 3.49Å
23R92.7Very high92.7Very high139 Ų13965.3 Ų65.353%0.52533%0.327SS..Hα-helixtrans-60.1-54.7-179.9-175.9-165.870.8127.1-1.2111Q19 I20 V21 V25 T26 C27Q19-R23 WeakPolarHBondContact O-CB 3.4Å; Q19-R23 PolarHBondContact O-N 2.93Å; I20-R23 PolarHBondContact O-N 2.72Å; V21-R23 PolarHBondContact O-N 3.37Å; R23-V25 PolarHBondContact O-N 2.86Å; R23-T26 PolarHBondContact O-N 3.28Å; R23-C27 PolarHBondContact O-N 3.5Å; R23-C27 PolarHBondContact O-SG 3.23Å
24D94.1Very high93.2Very high7 Ų767 Ų674%0.03732%0.321CS..Hα-helixtrans-66.6-41.2-172.7-657000111.3I20 V21 C27 A28 Y80 L124I20-D24 WeakPolarHBondContact O-CB 3.36Å; I20-D24 VanDerWaalsContact O-CG 3.29Å; I20-D24 PolarHBondContact O-N 3.49Å; V21-D24 PolarHBondContact O-N 3.45Å; D24-C27 PolarHBondContact O-N 2.96Å; D24-A28 WeakPolarHBondContact O-CB 3.28Å; D24-A28 PolarHBondContact O-N 3.3Å; D24-Y80 HydrophobicContact CB-CE1 4.21Å; D24-Y80 WeakPolarHBondContact CB-OH 3.33Å; D24-Y80 WeakPolarHBondContact OD2-CE1 3.5Å; D24-Y80 PolarHBondContact OD2-OH 3.4Å; D24-L124 HydrophobicContact CB-CB 4.5Å
25V93.7Very high93.6Very high0 Ų060.9 Ų60.90%029%0.294CS..Hα-helixtrans-62.8-43.6173.8169.80000111.2W6 I7 V21 R23 C27 A28 L29 V53 L55 L76 L124W6-V25 HydrophobicContact CZ2-CG1 3.79Å; I7-V25 HydrophobicContact CD1-CB 4.35Å; I7-V25 HydrophobicContact CD1-CG1 3.98Å; V21-V25 HydrophobicContact CG1-CG2 4.15Å; V21-V25 WeakPolarHBondContact O-CB 3.23Å; V21-V25 WeakPolarHBondContact O-CG2 3.37Å; V21-V25 PolarHBondContact O-N 3.31Å; R23-V25 PolarHBondContact O-N 2.86Å; V25-C27 VanDerWaalsContact C-N 3.33Å; V25-C27 PolarHBondContact O-N 3.44Å; V25-A28 PolarHBondContact O-N 2.87Å; V25-L29 HydrophobicContact CG1-CD1 3.82Å; V25-L29 HydrophobicContact CG1-CG 4.32Å; V25-L29 WeakPolarHBondContact O-CB 3.32Å; V25-L29 VanDerWaalsContact O-CG 3.25Å; V25-L29 WeakPolarHBondContact O-CG 3.28Å; V25-L29 PolarHBondContact O-N 3.41Å; V25-V53 HydrophobicContact CG2-CG1 4.22Å; V25-L55 HydrophobicContact CG1-CD2 3.94Å; V25-L76 HydrophobicContact CG2-CD1 3.44Å; V25-L76 VanDerWaalsContact CG2-CD1 3.44Å; V25-L124 HydrophobicContact CG2-CD2 4.36Å
26T92.7Very high93.6Very high14 Ų1468.8 Ų68.89%0.08632%0.324CS..Hα-helixtrans-64.2-39.6177.5-58.20000111.4R22 R23 K30R22-T26 VanDerWaalsContact O-CB 3.25Å; R22-T26 WeakPolarHBondContact O-CB 3.47Å; R22-T26 PolarHBondContact O-N 2.89Å; R22-T26 PolarHBondContact O-OG1 3.49Å; R23-T26 PolarHBondContact O-N 3.28Å; T26-K30 HydrophobicContact CG2-CD 4.35Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.33Å; T26-K30 PolarHBondContact O-N 3.49Å; T26-K30 VanDerWaalsContact O-N 3.07Å
27C93.9Very high93.6Very high57 Ų5766.2 Ų66.239%0.38531%0.309SS..Hα-helixtrans-62.9-47.5174.2-69.80000111.7R23 D24 V25 L29 K30 A31 V125R23-C27 PolarHBondContact O-N 3.5Å; R23-C27 PolarHBondContact O-SG 3.23Å; D24-C27 PolarHBondContact O-N 2.96Å; V25-C27 VanDerWaalsContact C-N 3.33Å; V25-C27 PolarHBondContact O-N 3.44Å; C27-L29 PolarHBondContact O-N 2.84Å; C27-K30 PolarHBondContact O-N 3.37Å; C27-A31 PolarHBondContact O-N 2.9Å; C27-V125 HydrophobicContact CB-CG2 4.22Å
28A95.1Very high93.5Very high0 Ų065.7 Ų65.70%031%0.309CS..Hα-helixtrans-60.9-43.1177.700000112.5D24 V25 K30 A31 F32 L55 L124 V125 I128D24-A28 WeakPolarHBondContact O-CB 3.28Å; D24-A28 PolarHBondContact O-N 3.3Å; V25-A28 PolarHBondContact O-N 2.87Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 2.96Å; A28-A31 PolarHBondContact O-N 3.27Å; A28-F32 WeakPolarHBondContact O-CD2 3.27Å; A28-F32 PolarHBondContact O-N 2.92Å; A28-L55 HydrophobicContact CB-CD1 3.95Å; A28-L124 HydrophobicContact CB-CB 4.43Å; A28-L124 HydrophobicContact CB-CD2 3.74Å; A28-L124 HydrophobicContact CB-CG 3.92Å; A28-V125 HydrophobicContact CB-CG2 4.42Å; A28-I128 HydrophobicContact CB-CD1 4.23Å
29L93.9Very high93.4Very high20 Ų2066.8 Ų66.811%0.10531%0.309CS..Hα-helixtrans-67.9-30177.6-69.2173.6000113.2A3 V25 C27 L35 P37 L55A3-L29 HydrophobicContact CB-CB 4.4Å; A3-L29 HydrophobicContact CB-CD1 3.7Å; V25-L29 HydrophobicContact CG1-CD1 3.82Å; V25-L29 HydrophobicContact CG1-CG 4.32Å; V25-L29 WeakPolarHBondContact O-CB 3.32Å; V25-L29 VanDerWaalsContact O-CG 3.25Å; V25-L29 WeakPolarHBondContact O-CG 3.28Å; V25-L29 PolarHBondContact O-N 3.41Å; C27-L29 PolarHBondContact O-N 2.84Å; L29-L35 HydrophobicContact CD2-CB 4Å; L29-L35 WeakPolarHBondContact CD2-O 3.29Å; L29-P37 HydrophobicContact CD1-CB 4.1Å; L29-P37 HydrophobicContact CD1-CG 3.84Å; L29-L55 HydrophobicContact CD1-CD2 4.42Å; L29-L55 HydrophobicContact CD2-CD2 3.84Å; L29-L55 HydrophobicContact CG-CD2 4.14Å
30K94Very high93.3Very high155 Ų15562.8 Ų62.867%0.67429%0.29SS*.Hα-helixtrans-69.9-39172.8-77.2174.3-179.9177.70111.8T26 C27 A28T26-K30 HydrophobicContact CG2-CD 4.35Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.33Å; T26-K30 PolarHBondContact O-N 3.49Å; T26-K30 VanDerWaalsContact O-N 3.07Å; C27-K30 PolarHBondContact O-N 3.37Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 2.96Å
31A95.3Very high93.2Very high56 Ų5664.9 Ų64.946%0.46330%0.302SS..Hα-helixtrans-74.2-40.6178.400000112.5C27 A28 V125C27-A31 PolarHBondContact O-N 2.9Å; A28-A31 PolarHBondContact O-N 3.27Å; A31-V125 HydrophobicContact CB-CG1 4.35Å
32F95.4Very high93.1Very high23 Ų2365.7 Ų65.710%0.10131%0.305CS..  trans-121.591.5-173.6-57.8-78.9000111.4A28 E34 L35 V125 I128A28-F32 WeakPolarHBondContact O-CD2 3.27Å; A28-F32 PolarHBondContact O-N 2.92Å; F32-E34 VanDerWaalsContact C-N 3.28Å; F32-E34 PolarHBondContact O-N 3.47Å; F32-L35 HydrophobicContact CB-CD1 3.77Å; F32-L35 HydrophobicContact CB-CG 3.93Å; F32-L35 HydrophobicContact CG-CD1 4.38Å; F32-L35 PolarHBondContact O-N 3.42Å; F32-L35 VanDerWaalsContact O-N 3.17Å; F32-V125 HydrophobicContact CE2-CG1 4.26Å; F32-I128 HydrophobicContact CD1-CG2 3.91Å; F32-I128 HydrophobicContact CD2-CB 4.19Å; F32-I128 HydrophobicContact CD2-CD1 3.57Å; F32-I128 HydrophobicContact CD2-CG1 4.48Å; F32-I128 HydrophobicContact CD2-CG2 3.86Å; F32-I128 HydrophobicContact CE1-CB 4.47Å; F32-I128 HydrophobicContact CE1-CG2 3.5Å; F32-I128 VanDerWaalsContact CE1-CG2 3.5Å; F32-I128 HydrophobicContact CE2-CB 3.58Å; F32-I128 HydrophobicContact CE2-CD1 3.75Å; F32-I128 HydrophobicContact CE2-CG1 4.28Å; F32-I128 HydrophobicContact CE2-CG2 3.45Å; F32-I128 VanDerWaalsContact CE2-CG2 3.45Å; F32-I128 HydrophobicContact CG-CD1 4.37Å; F32-I128 HydrophobicContact CG-CG2 4.09Å; F32-I128 HydrophobicContact CZ-CB 3.76Å; F32-I128 HydrophobicContact CZ-CG2 3.26Å
33K93.3Very high93.1Very high181 Ų18167.6 Ų67.679%0.78732%0.32SS*.THydrogen-bonded Turntrans-66.9-23-171.7-61.6-178.2-178.8178.50115.1L35K33-L35 VanDerWaalsContact C-N 3.32Å
34E94.5Very high92.7Very high115 Ų11563 Ų6354%0.53730%0.304SS..THydrogen-bonded Turntrans-83.7-9.6179.1-64.5-57139.700112.7F32 G57 T58F32-E34 VanDerWaalsContact C-N 3.28Å; F32-E34 PolarHBondContact O-N 3.47Å; E34-G57 WeakPolarHBondContact O-CA 3.32Å; E34-T58 WeakPolarHBondContact CB-O 3.24Å; E34-T58 WeakPolarHBondContact CB-OG1 3.37Å
35L95.2Very high92.2Very high6 Ų670.7 Ų70.73%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-77.5133.1170.6-65.6-178.1000109.6L29 F32 K33 L55 I59 I72 I128L29-L35 HydrophobicContact CD2-CB 4Å; L29-L35 WeakPolarHBondContact CD2-O 3.29Å; F32-L35 HydrophobicContact CB-CD1 3.77Å; F32-L35 HydrophobicContact CB-CG 3.93Å; F32-L35 HydrophobicContact CG-CD1 4.38Å; F32-L35 PolarHBondContact O-N 3.42Å; F32-L35 VanDerWaalsContact O-N 3.17Å; K33-L35 VanDerWaalsContact C-N 3.32Å; L35-L55 HydrophobicContact CD1-CD1 4.38Å; L35-I59 HydrophobicContact CD2-CG2 4.28Å; L35-I72 HydrophobicContact CD2-CD1 4.39Å; L35-I72 HydrophobicContact CD2-CG1 4.14Å; L35-I128 HydrophobicContact CD1-CD1 3.71Å
36R92.9Very high91.8Very high177 Ų17775.7 Ų75.767%0.66837%0.372SS*.EExtended strand (participates in β ladder)trans-115.8133.4175.4-64.5-171.9-175.6-153.51.7109.8D56R36-D56 WeakPolarHBondContact CA-O 3.46Å; R36-D56 WeakPolarHBondContact CB-O 3.25Å; R36-D56 PolarHBondContact N-O 3.49Å; R36-D56 PolarHBondContact O-N 3.46Å
37P92.5Very high91.5Very high38 Ų3877.8 Ų77.825%0.24740%0.397CS..EExtended strand (participates in β ladder)trans-75.8143.1174.826.8-28.9000112.8W6 L29 S54 L55W6-P37 VanDerWaalsContact CD1-CG 3.48Å; W6-P37 HydrophobicContact CD2-CB 3.38Å; W6-P37 HydrophobicContact CD2-CG 3.54Å; W6-P37 HydrophobicContact CE3-CB 3.74Å; W6-P37 HydrophobicContact CE3-CG 4.27Å; W6-P37 HydrophobicContact CG-CB 4.12Å; W6-P37 HydrophobicContact CG-CG 3.71Å; W6-P37 HydrophobicContact CH2-CB 3.22Å; W6-P37 HydrophobicContact CH2-CG 4.4Å; W6-P37 HydrophobicContact CZ2-CB 2.91Å; W6-P37 HydrophobicContact CZ2-CG 3.8Å; W6-P37 HydrophobicContact CZ3-CB 3.65Å; L29-P37 HydrophobicContact CD1-CB 4.1Å; L29-P37 HydrophobicContact CD1-CG 3.84Å; P37-S54 CarbonylContact C-O 3.56Å; P37-S54 WeakPolarHBondContact CA-O 3.48Å; P37-L55 HydrophobicContact CB-CD2 4.19Å
38K91.2Very high91.2Very high82 Ų8277.9 Ų77.936%0.35740%0.396SS..EExtended strand (participates in β ladder)trans-139.4160176.4-68.5178.7-179.81710110.8S54 D56K38-S54 WeakPolarHBondContact CB-OG 3.32Å; K38-S54 PolarHBondContact N-O 2.95Å; K38-S54 PolarHBondContact O-N 2.97Å; K38-D56 HydrophobicContact CD-CB 3.84Å; K38-D56 VanDerWaalsContact NZ-CG 3.29Å; K38-D56 IonicContact NZ-OD1 2.88Å; K38-D56 PolarHBondContact NZ-OD1 3.46Å; K38-D56 IonicContact NZ-OD2 3.95Å
39F90.2Very high91Very high69 Ų6981.1 Ų81.130%0.30342%0.419SS..EExtended strand (participates in β ladder)trans-122.896.5168.8-164.3-118.4000107.4C11 K51 L52 V53C11-F39 HydrophobicContact CB-CD2 4.21Å; C11-F39 HydrophobicContact CB-CE2 4.28Å; C11-F39 HydrophobicContact CB-CG 4.4Å; C11-F39 WeakPolarHBondContact O-CE2 3.09Å; F39-K51 HydrophobicContact CD1-CB 4.25Å; F39-K51 HydrophobicContact CD1-CD 4.33Å; F39-K51 HydrophobicContact CE1-CB 3.6Å; F39-K51 HydrophobicContact CE1-CD 3.97Å; F39-K51 HydrophobicContact CE1-CG 4.34Å; F39-K51 HydrophobicContact CE2-CB 4.33Å; F39-K51 HydrophobicContact CZ-CB 3.64Å; F39-L52 WeakPolarHBondContact CA-O 3.31Å; F39-L52 WeakPolarHBondContact CD2-O 3.36Å; F39-V53 HydrophobicContact CD2-CG2 4.04Å; F39-V53 HydrophobicContact CE2-CG2 4.22Å
40E89.9Confident90.8Very high62 Ų6284.7 Ų84.729%0.2943%0.431SS..EExtended strand (participates in β ladder)trans-120.9148.9-163.6-165.7178.7157.500110.4F42 K51 L52 R90E40-F42 PolarHBondContact O-N 3.44Å; E40-K51 WeakPolarHBondContact O-CA 3.45Å; E40-L52 PolarHBondContact N-O 3.44Å; E40-L52 PolarHBondContact O-N 3.23Å; E40-R90 IonicContact OE1-CZ 3.88Å; E40-R90 IonicContact OE1-NH1 3.95Å; E40-R90 IonicContact OE1-NH2 2.69Å; E40-R90 PolarHBondContact OE1-NH2 2.9Å; E40-R90 VanDerWaalsContact OE1-NH2 3.12Å; E40-R90 IonicContact OE2-NH1 3.61Å; E40-R90 PolarHBondContact OE2-NH1 3.4Å; E40-R90 IonicContact OE2-NH2 2.74Å
41D91.1Very high90.7Very high85 Ų8581.8 Ų81.846%0.45542%0.418SS..EExtended strand (participates in β ladder)trans-71.2122.7171.8-70.2-58.1000109.5K51D41-K51 WeakPolarHBondContact OD1-CE 3.5Å; D41-K51 WeakPolarHBondContact OD1-CG 3.39Å; D41-K51 WeakPolarHBondContact OD2-CE 3.28Å; D41-K51 IonicContact OD2-NZ 3.97Å
42F91.5Very high90.6Very high16 Ų1679.1 Ų79.17%0.0740%0.396CS..EExtended strand (participates in β ladder)trans-111.2123177.5-178.7-97.4000109.3E40 Q44 S49 R50 L52 F75 F77 M86 Y88E40-F42 PolarHBondContact O-N 3.44Å; F42-Q44 HydrophobicContact CD1-CG 3.94Å; F42-Q44 HydrophobicContact CE1-CG 3.66Å; F42-S49 CarbonylContact O-C 3.54Å; F42-S49 WeakPolarHBondContact O-CA 3.34Å; F42-R50 WeakPolarHBondContact CB-O 3.49Å; F42-R50 PolarHBondContact N-O 2.92Å; F42-R50 PolarHBondContact O-N 2.96Å; F42-L52 HydrophobicContact CB-CD1 3.77Å; F42-L52 HydrophobicContact CB-CG 4.11Å; F42-L52 HydrophobicContact CD1-CD1 3.9Å; F42-L52 HydrophobicContact CG-CD1 3.9Å; F42-F75 HydrophobicContact CB-CD1 4.28Å; F42-F75 HydrophobicContact CB-CE1 4.41Å; F42-F75 AromaticContact CD2-CD1 3.75Å; F42-F75 HydrophobicContact CD2-CD1 3.75Å; F42-F75 HydrophobicContact CD2-CD2 4.22Å; F42-F75 AromaticContact CD2-CE1 3.86Å; F42-F75 HydrophobicContact CD2-CE1 3.86Å; F42-F75 HydrophobicContact CD2-CE2 4.32Å; F42-F75 AromaticContact CD2-CG 3.94Å; F42-F75 HydrophobicContact CD2-CG 3.94Å; F42-F75 HydrophobicContact CD2-CZ 4.14Å; F42-F75 HydrophobicContact CE2-CD2 4.29Å; F42-F75 HydrophobicContact CE2-CE2 4.49Å; F42-F75 HydrophobicContact CE2-CG 4.32Å; F42-F75 HydrophobicContact CG-CD1 4.29Å; F42-F77 HydrophobicContact CD1-CE1 4.44Å; F42-F77 HydrophobicContact CE1-CE1 4.26Å; F42-F77 HydrophobicContact CE1-CZ 4.02Å; F42-M86 HydrophobicContact CE1-SD 4.25Å; F42-M86 HydrophobicContact CE2-SD 4.12Å; F42-M86 HydrophobicContact CZ-SD 3.44Å; F42-M86 WeakPolarHBondContact CZ-SD 3.44Å; F42-Y88 AromaticContact CE2-CE2 3.88Å; F42-Y88 HydrophobicContact CE2-CE2 3.88Å; F42-Y88 HydrophobicContact CZ-CE2 4.34Å
43I91.4Very high90.5Very high118 Ų11878.1 Ų78.161%0.60539%0.392SS*.EExtended strand (participates in β ladder)trans-96115.6179-57.4173.8000107.8
44Q84.8Confident90.6Very high41 Ų4169.5 Ų69.519%0.19235%0.354CS..  trans-75.7165.2174.2-80.2178.129.100111.3F42 D46 G47 T48F42-Q44 HydrophobicContact CD1-CG 3.94Å; F42-Q44 HydrophobicContact CE1-CG 3.66Å; Q44-D46 WeakPolarHBondContact CB-OD1 3.45Å; Q44-D46 PolarHBondContact O-N 3.27Å; Q44-G47 PolarHBondContact O-N 2.92Å; Q44-T48 PolarHBondContact N-O 3.14Å
45N84.3Confident90.6Very high170 Ų17064 Ų6491%0.90933%0.329SS*.THydrogen-bonded Turntrans-59.9-19.7-179.9-62.3-2.1000113.5G47N45-G47 VanDerWaalsContact C-N 3.27Å
46D85.1Confident90.6Very high104 Ų10465.2 Ų65.256%0.55634%0.335SS*.THydrogen-bonded Turntrans-82.6-0.4174.969.1-20.5000113.3Q44 T48Q44-D46 WeakPolarHBondContact CB-OD1 3.45Å; Q44-D46 PolarHBondContact O-N 3.27Å; D46-T48 VanDerWaalsContact C-N 3.27Å; D46-T48 PolarHBondContact O-N 3.03Å; D46-T48 VanDerWaalsContact OD1-CB 3.25Å; D46-T48 WeakPolarHBondContact OD1-CB 3.23Å; D46-T48 PolarHBondContact OD1-N 3.44Å; D46-T48 PolarHBondContact OD1-OG1 3.07Å; D46-T48 WeakPolarHBondContact OD2-CB 3.26Å; D46-T48 PolarHBondContact OD2-OG1 2.96Å
47G85.5Confident90.8Very high58 Ų5857.6 Ų57.660%0.59831%0.311SS*.SBendtrans82.2-2.3-174.800000114.1Q44 N45 S49Q44-G47 PolarHBondContact O-N 2.92Å; N45-G47 VanDerWaalsContact C-N 3.27Å; G47-S49 PolarHBondContact O-N 3.42Å
48T88Confident91Very high59 Ų5957.5 Ų57.536%0.36231%0.31SS..  trans-73.4123.4179.2-58.80000110.1Q44 D46 R50Q44-T48 PolarHBondContact N-O 3.14Å; D46-T48 VanDerWaalsContact C-N 3.27Å; D46-T48 PolarHBondContact O-N 3.03Å; D46-T48 VanDerWaalsContact OD1-CB 3.25Å; D46-T48 WeakPolarHBondContact OD1-CB 3.23Å; D46-T48 PolarHBondContact OD1-N 3.44Å; D46-T48 PolarHBondContact OD1-OG1 3.07Å; D46-T48 WeakPolarHBondContact OD2-CB 3.26Å; D46-T48 PolarHBondContact OD2-OG1 2.96Å; T48-R50 HydrophobicContact CG2-CG 4.24Å
49S90.4Very high91.3Very high69 Ų6953.6 Ų53.648%0.48329%0.293SS..EExtended strand (participates in β ladder)trans-87.4130.8173.1-175.10000111.4F42 G47F42-S49 CarbonylContact O-C 3.54Å; F42-S49 WeakPolarHBondContact O-CA 3.34Å; G47-S49 PolarHBondContact O-N 3.42Å
50R90.8Very high91.6Very high95 Ų9552.8 Ų52.836%0.35830%0.295SS..EExtended strand (participates in β ladder)trans-132.2136.5176.9-58.3-165.1-173.4-157-1.6111F42 T48 L52 E78F42-R50 WeakPolarHBondContact CB-O 3.49Å; F42-R50 PolarHBondContact N-O 2.92Å; F42-R50 PolarHBondContact O-N 2.96Å; T48-R50 HydrophobicContact CG2-CG 4.24Å; R50-L52 HydrophobicContact CB-CD2 4.34Å; R50-L52 HydrophobicContact CB-CG 4.37Å; R50-L52 PolarHBondContact O-N 2.86Å; R50-E78 WeakPolarHBondContact CD-OE1 3.44Å; R50-E78 IonicContact NH1-OE1 3.12Å; R50-E78 IonicContact NH1-OE2 3.94Å; R50-E78 PolarHBondContact NH1-OE2 2.98Å
51K90.6Very high91.9Very high93 Ų9349.9 Ų49.940%0.40428%0.282SS..EExtended strand (participates in β ladder)trans-80.6112.9172-72.6-168.5175.9-161.90110.9F39 E40 D41F39-K51 HydrophobicContact CD1-CB 4.25Å; F39-K51 HydrophobicContact CD1-CD 4.33Å; F39-K51 HydrophobicContact CE1-CB 3.6Å; F39-K51 HydrophobicContact CE1-CD 3.97Å; F39-K51 HydrophobicContact CE1-CG 4.34Å; F39-K51 HydrophobicContact CE2-CB 4.33Å; F39-K51 HydrophobicContact CZ-CB 3.64Å; E40-K51 WeakPolarHBondContact O-CA 3.45Å; D41-K51 WeakPolarHBondContact OD1-CE 3.5Å; D41-K51 WeakPolarHBondContact OD1-CG 3.39Å; D41-K51 WeakPolarHBondContact OD2-CE 3.28Å; D41-K51 IonicContact OD2-NZ 3.97Å
52L93.6Very high92.2Very high0 Ų054.7 Ų54.70%029%0.293CS..EExtended strand (participates in β ladder)trans-118.2151.2-178.7-59.4-178000110.9F39 E40 F42 R50 S54 F75 F77 E78F39-L52 WeakPolarHBondContact CA-O 3.31Å; F39-L52 WeakPolarHBondContact CD2-O 3.36Å; E40-L52 PolarHBondContact N-O 3.44Å; E40-L52 PolarHBondContact O-N 3.23Å; F42-L52 HydrophobicContact CB-CD1 3.77Å; F42-L52 HydrophobicContact CB-CG 4.11Å; F42-L52 HydrophobicContact CD1-CD1 3.9Å; F42-L52 HydrophobicContact CG-CD1 3.9Å; R50-L52 HydrophobicContact CB-CD2 4.34Å; R50-L52 HydrophobicContact CB-CG 4.37Å; R50-L52 PolarHBondContact O-N 2.86Å; L52-S54 PolarHBondContact O-N 3.32Å; L52-F75 HydrophobicContact CB-CD1 4.49Å; L52-F75 HydrophobicContact CD1-CB 4.48Å; L52-F77 HydrophobicContact CD1-CD1 3.96Å; L52-F77 HydrophobicContact CD1-CE1 3.96Å; L52-F77 HydrophobicContact CD1-CG 4.48Å; L52-F77 HydrophobicContact CD1-CZ 4.48Å; L52-E78 HydrophobicContact CD2-CG 4.34Å
53V93.7Very high92.2Very high2 Ų257 Ų571%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-65.7124.1162.7170.10000108W6 L12 Y15 V21 V25 F39 L76W6-V53 HydrophobicContact CH2-CG1 3.99Å; L12-V53 HydrophobicContact CD2-CG2 3.79Å; Y15-V53 HydrophobicContact CE2-CB 4.42Å; Y15-V53 HydrophobicContact CE2-CG2 3.71Å; Y15-V53 WeakPolarHBondContact OH-CB 3.48Å; Y15-V53 PolarHBondContact OH-N 3.39Å; V21-V53 HydrophobicContact CG1-CG1 4.42Å; V25-V53 HydrophobicContact CG2-CG1 4.22Å; F39-V53 HydrophobicContact CD2-CG2 4.04Å; F39-V53 HydrophobicContact CE2-CG2 4.22Å; V53-L76 HydrophobicContact CB-CB 4.42Å; V53-L76 HydrophobicContact CG1-CD1 3.94Å; V53-L76 HydrophobicContact CG1-CG 4.42Å; V53-L76 PolarHBondContact O-N 2.89Å
54S94.5Very high92.2Very high0 Ų059.1 Ų59.10%031%0.312CS..EExtended strand (participates in β ladder)trans-127.5147.617463.90000112.2P37 K38 L52 I74P37-S54 CarbonylContact C-O 3.56Å; P37-S54 WeakPolarHBondContact CA-O 3.48Å; K38-S54 WeakPolarHBondContact CB-OG 3.32Å; K38-S54 PolarHBondContact N-O 2.95Å; K38-S54 PolarHBondContact O-N 2.97Å; L52-S54 PolarHBondContact O-N 3.32Å; S54-I74 CarbonylContact C-O 3.57Å; S54-I74 WeakPolarHBondContact CA-O 3.44Å
55L95.4Very high92.5Very high1 Ų159.9 Ų59.91%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-107.2114.1167.7-64.7-174000108.4V25 A28 L29 L35 P37 A73 I74 L124V25-L55 HydrophobicContact CG1-CD2 3.94Å; A28-L55 HydrophobicContact CB-CD1 3.95Å; L29-L55 HydrophobicContact CD1-CD2 4.42Å; L29-L55 HydrophobicContact CD2-CD2 3.84Å; L29-L55 HydrophobicContact CG-CD2 4.14Å; L35-L55 HydrophobicContact CD1-CD1 4.38Å; P37-L55 HydrophobicContact CB-CD2 4.19Å; L55-A73 CarbonylContact O-C 3.48Å; L55-A73 VanDerWaalsContact O-CA 3.29Å; L55-A73 WeakPolarHBondContact O-CA 3.32Å; L55-I74 HydrophobicContact CB-CB 4.31Å; L55-I74 PolarHBondContact N-O 2.94Å; L55-I74 PolarHBondContact O-N 2.96Å; L55-L124 HydrophobicContact CD1-CD2 3.65Å; L55-L124 HydrophobicContact CD1-CG 4.45Å
56D95.1Very high92.9Very high30 Ų3054.7 Ų54.716%0.1631%0.307CS..EExtended strand (participates in β ladder)trans-123.2129.2-174.4-178.2-95.7000109.8R36 K38 R90R36-D56 WeakPolarHBondContact CA-O 3.46Å; R36-D56 WeakPolarHBondContact CB-O 3.25Å; R36-D56 PolarHBondContact N-O 3.49Å; R36-D56 PolarHBondContact O-N 3.46Å; K38-D56 HydrophobicContact CD-CB 3.84Å; K38-D56 VanDerWaalsContact NZ-CG 3.29Å; K38-D56 IonicContact NZ-OD1 2.88Å; K38-D56 PolarHBondContact NZ-OD1 3.46Å; K38-D56 IonicContact NZ-OD2 3.95Å; D56-R90 WeakPolarHBondContact OD2-CD 3.37Å; D56-R90 IonicContact OD2-CZ 3.75Å; D56-R90 IonicContact OD2-NE 2.72Å; D56-R90 IonicContact OD2-NH1 3.88Å; D56-R90 PolarHBondContact OD2-NH1 3.33Å
57G96.7Very high93.3Very high17 Ų1754.1 Ų54.118%0.17531%0.307CS..EExtended strand (participates in β ladder)trans162.2-151.6-177.500000111.1E34 P71 I72E34-G57 WeakPolarHBondContact O-CA 3.32Å; G57-P71 CarbonylContact O-C 3.56Å; G57-P71 VanDerWaalsContact O-CA 3.31Å; G57-P71 WeakPolarHBondContact O-CA 3.45Å; G57-I72 PolarHBondContact N-O 3.03Å; G57-I72 VanDerWaalsContact N-O 3.14Å; G57-I72 PolarHBondContact O-N 3.35Å
58T97.1Very high93.7Very high36 Ų3656.7 Ų56.722%0.22130%0.3CS..EExtended strand (participates in β ladder)trans-121.2147.1179.960.70000112.5E34 N69 I70 P71E34-T58 WeakPolarHBondContact CB-O 3.24Å; E34-T58 WeakPolarHBondContact CB-OG1 3.37Å; T58-N69 HydrophobicContact CG2-CB 4.19Å; T58-I70 CarbonylContact C-O 3.55Å; T58-I70 VanDerWaalsContact CA-O 3.28Å; T58-I70 WeakPolarHBondContact CA-O 3.46Å; T58-P71 HydrophobicContact CG2-CB 4.2Å
59I97.1Very high94.1Very high0 Ų058.1 Ų58.10%031%0.305CS..EExtended strand (participates in β ladder)trans-111.5137169.555.7163.3000110.1L35 V61 I70 I72 I128 L131 Q132 F135L35-I59 HydrophobicContact CD2-CG2 4.28Å; I59-V61 HydrophobicContact CD1-CG2 4.14Å; I59-V61 HydrophobicContact CG1-CG2 4.14Å; I59-V61 PolarHBondContact O-N 3.39Å; I59-I70 HydrophobicContact CG1-CB 4.4Å; I59-I70 PolarHBondContact N-O 2.95Å; I59-I70 PolarHBondContact O-N 2.84Å; I59-I72 HydrophobicContact CB-CD1 4.42Å; I59-I72 HydrophobicContact CD1-CD1 4.01Å; I59-I72 HydrophobicContact CD1-CG2 4.29Å; I59-I72 HydrophobicContact CG1-CD1 4.03Å; I59-I72 HydrophobicContact CG1-CG1 4.33Å; I59-I72 HydrophobicContact CG1-CG2 4.19Å; I59-I72 HydrophobicContact CG2-CD1 3.52Å; I59-I72 HydrophobicContact CG2-CG1 4.09Å; I59-I128 HydrophobicContact CB-CG2 4.37Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; I59-L131 HydrophobicContact CD1-CB 3.87Å; I59-Q132 HydrophobicContact CD1-CG 4.2Å; I59-F135 HydrophobicContact CD1-CD2 4.21Å; I59-F135 HydrophobicContact CD1-CE2 4.45Å
60P97Very high94.4Very high53 Ų5355 Ų5534%0.34428%0.283SS..EExtended strand (participates in β ladder)trans-76.3121.5177.928.1-30.4000109.9T67 Q132P60-T67 HydrophobicContact CB-CG2 3.71Å; P60-Q132 WeakPolarHBondContact O-CG 3.44Å; P60-Q132 PolarHBondContact O-NE2 2.89Å
61V97.1Very high94.7Very high1 Ų151.1 Ų51.11%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-120.5128.8-177.8176.70000109.3I59 T67 Y68 I70 Q132 F135 G136I59-V61 HydrophobicContact CD1-CG2 4.14Å; I59-V61 HydrophobicContact CG1-CG2 4.14Å; I59-V61 PolarHBondContact O-N 3.39Å; V61-T67 CarbonylContact O-C 3.58Å; V61-T67 WeakPolarHBondContact O-CA 3.5Å; V61-Y68 PolarHBondContact N-O 2.93Å; V61-Y68 PolarHBondContact O-N 2.97Å; V61-I70 HydrophobicContact CB-CG1 3.78Å; V61-I70 HydrophobicContact CG1-CG1 4.49Å; V61-I70 HydrophobicContact CG2-CB 4.08Å; V61-I70 HydrophobicContact CG2-CG1 3.52Å; V61-Q132 HydrophobicContact CG2-CG 4.49Å; V61-F135 HydrophobicContact CB-CB 4.46Å; V61-F135 HydrophobicContact CG1-CB 3.65Å; V61-F135 WeakPolarHBondContact CG1-O 3.47Å; V61-F135 HydrophobicContact CG2-CB 4.01Å; V61-F135 HydrophobicContact CG2-CD2 4.4Å; V61-G136 VanDerWaalsContact CG1-N 3.33Å
62R96.1Very high95.1Very high185 Ų18546.7 Ų46.770%0.69825%0.251SS*.EExtended strand (participates in β ladder)trans-89.8110.6178.3-166.3179-172-166.70.7109.9S66 G136R62-S66 CarbonylContact C-O 3.58Å; R62-S66 WeakPolarHBondContact CA-O 3.41Å; R62-G136 WeakPolarHBondContact O-CA 3.38Å
63Y92Very high95.2Very high65 Ų6546.7 Ų46.726%0.25525%0.251SS..EExtended strand (participates in β ladder)trans-125.6124.1179.9-178.2-102000109.5G65 S66 Y68 G136Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 3.15Å; Y63-S66 PolarHBondContact N-O 3.27Å; Y63-S66 PolarHBondContact O-N 3.44Å; Y63-S66 VanDerWaalsContact O-O 3.05Å; Y63-Y68 HydrophobicContact CD1-CE2 4.09Å; Y63-G136 WeakPolarHBondContact CD2-O 3.31Å
64M92Very high95.4Very high163 Ų16346.6 Ų46.680%0.80325%0.25SS*.THydrogen-bonded Turntrans4845.2-178.8-56.3-166.289.800114.2S66M64-S66 PolarHBondContact O-N 2.95Å
65G89.9Confident95.5Very high56 Ų5646.8 Ų46.858%0.57725%0.251SS*.THydrogen-bonded Turntrans81.5-11.2177.200000115.6Y63Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 3.15Å
66S92.8Very high95.5Very high62 Ų6246.8 Ų46.843%0.43425%0.251SS..EExtended strand (participates in β ladder)trans-107150.8176.6-62.60000111.6R62 Y63 M64R62-S66 CarbonylContact C-O 3.58Å; R62-S66 WeakPolarHBondContact CA-O 3.41Å; Y63-S66 PolarHBondContact N-O 3.27Å; Y63-S66 PolarHBondContact O-N 3.44Å; Y63-S66 VanDerWaalsContact O-O 3.05Å; M64-S66 PolarHBondContact O-N 2.95Å
67T94.8Very high95.5Very high91 Ų9145.5 Ų45.556%0.55824%0.244SC*.EExtended strand (participates in β ladder)trans-98.5122.5176.4-56.20000110.1P60 V61P60-T67 HydrophobicContact CB-CG2 3.71Å; V61-T67 CarbonylContact O-C 3.58Å; V61-T67 WeakPolarHBondContact O-CA 3.5Å
68Y94.1Very high95.3Very high112 Ų11246.4 Ų46.444%0.43924%0.244SC..EExtended strand (participates in β ladder)trans-111.1140.6176.6-61.3-89.9000110V61 Y63 I70V61-Y68 PolarHBondContact N-O 2.93Å; V61-Y68 PolarHBondContact O-N 2.97Å; Y63-Y68 HydrophobicContact CD1-CE2 4.09Å; Y68-I70 PolarHBondContact O-N 3.41Å
69N95.8Very high95.1Very high89 Ų8946.7 Ų46.748%0.47625%0.25SC..EExtended strand (participates in β ladder)trans-91.2102.6176.2-68.2-45.7000109T58T58-N69 HydrophobicContact CG2-CB 4.19Å
70I96.2Very high95Very high5 Ų546.7 Ų46.73%0.02625%0.25CC..EExtended strand (participates in β ladder)trans-89.4120.7-175.6-53.9-57.9000109.1T58 I59 V61 Y68 I72 V89 F135 P140 V141T58-I70 CarbonylContact C-O 3.55Å; T58-I70 VanDerWaalsContact CA-O 3.28Å; T58-I70 WeakPolarHBondContact CA-O 3.46Å; I59-I70 HydrophobicContact CG1-CB 4.4Å; I59-I70 PolarHBondContact N-O 2.95Å; I59-I70 PolarHBondContact O-N 2.84Å; V61-I70 HydrophobicContact CB-CG1 3.78Å; V61-I70 HydrophobicContact CG1-CG1 4.49Å; V61-I70 HydrophobicContact CG2-CB 4.08Å; V61-I70 HydrophobicContact CG2-CG1 3.52Å; Y68-I70 PolarHBondContact O-N 3.41Å; I70-I72 HydrophobicContact CG2-CG2 4.41Å; I70-I72 PolarHBondContact O-N 2.91Å; I70-V89 HydrophobicContact CG2-CG1 4.5Å; I70-F135 HydrophobicContact CG2-CD2 4.19Å; I70-F135 HydrophobicContact CG2-CE2 4.36Å; I70-P140 HydrophobicContact CG2-CG 3.8Å; I70-V141 HydrophobicContact CD1-CG2 3.8Å; I70-V141 HydrophobicContact CG2-CG2 4.5Å
71P97.6Very high95Very high12 Ų1244.2 Ų44.28%0.07823%0.234CC..EExtended strand (participates in β ladder)trans-74.6126.1-179.630.2-35000111.4G57 T58 R90 M95G57-P71 CarbonylContact O-C 3.56Å; G57-P71 VanDerWaalsContact O-CA 3.31Å; G57-P71 WeakPolarHBondContact O-CA 3.45Å; T58-P71 HydrophobicContact CG2-CB 4.2Å; P71-R90 WeakPolarHBondContact CB-O 3.46Å; P71-R90 WeakPolarHBondContact CG-O 3.4Å; P71-R90 PolarHBondContact O-N 2.86Å; P71-M95 HydrophobicContact CG-SD 4.05Å
72I98Very high94.8Very high0 Ų049.4 Ų49.40%026%0.258CS..EExtended strand (participates in β ladder)trans-132.8157.2-179.965.4166.1000111.5L35 G57 I59 I70 I74 Y88 L131 F135L35-I72 HydrophobicContact CD2-CD1 4.39Å; L35-I72 HydrophobicContact CD2-CG1 4.14Å; G57-I72 PolarHBondContact N-O 3.03Å; G57-I72 VanDerWaalsContact N-O 3.14Å; G57-I72 PolarHBondContact O-N 3.35Å; I59-I72 HydrophobicContact CB-CD1 4.42Å; I59-I72 HydrophobicContact CD1-CD1 4.01Å; I59-I72 HydrophobicContact CD1-CG2 4.29Å; I59-I72 HydrophobicContact CG1-CD1 4.03Å; I59-I72 HydrophobicContact CG1-CG1 4.33Å; I59-I72 HydrophobicContact CG1-CG2 4.19Å; I59-I72 HydrophobicContact CG2-CD1 3.52Å; I59-I72 HydrophobicContact CG2-CG1 4.09Å; I70-I72 HydrophobicContact CG2-CG2 4.41Å; I70-I72 PolarHBondContact O-N 2.91Å; I72-I74 HydrophobicContact CD1-CD1 3.92Å; I72-I74 HydrophobicContact CD1-CG1 4.01Å; I72-Y88 CarbonylContact C-O 3.52Å; I72-Y88 WeakPolarHBondContact CA-O 3.43Å; I72-L131 HydrophobicContact CD1-CD1 4.31Å; I72-F135 HydrophobicContact CG2-CE2 4.23Å
73A97.2Very high94.8Very high0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-130.2124.9166.300000110.2L55 F75 V87 Y88 R90L55-A73 CarbonylContact O-C 3.48Å; L55-A73 VanDerWaalsContact O-CA 3.29Å; L55-A73 WeakPolarHBondContact O-CA 3.32Å; A73-F75 HydrophobicContact CB-CD2 4.46Å; A73-F75 HydrophobicContact CB-CE2 3.73Å; A73-F75 HydrophobicContact CB-CZ 4.3Å; A73-V87 CarbonylContact O-C 3.48Å; A73-V87 WeakPolarHBondContact O-CA 3.5Å; A73-Y88 PolarHBondContact N-O 2.91Å; A73-Y88 PolarHBondContact O-N 3.3Å; A73-R90 HydrophobicContact CB-CG 4.04Å
74I97.6Very high95Very high0 Ų042.9 Ų42.90%024%0.24CC..EExtended strand (participates in β ladder)trans-110.9116.5178.2-49.3173.7000108.7S54 L55 I72 L76 P85 M86 V87 L124 I128S54-I74 CarbonylContact C-O 3.57Å; S54-I74 WeakPolarHBondContact CA-O 3.44Å; L55-I74 HydrophobicContact CB-CB 4.31Å; L55-I74 PolarHBondContact N-O 2.94Å; L55-I74 PolarHBondContact O-N 2.96Å; I72-I74 HydrophobicContact CD1-CD1 3.92Å; I72-I74 HydrophobicContact CD1-CG1 4.01Å; I74-L76 HydrophobicContact CG2-CD2 4.37Å; I74-P85 HydrophobicContact CG2-CB 3.57Å; I74-P85 HydrophobicContact CG2-CG 4.44Å; I74-M86 CarbonylContact C-O 3.55Å; I74-M86 WeakPolarHBondContact CA-O 3.45Å; I74-V87 HydrophobicContact CB-CG2 4.48Å; I74-V87 HydrophobicContact CG1-CG1 4.35Å; I74-V87 HydrophobicContact CG1-CG2 4.14Å; I74-V87 HydrophobicContact CG2-CG2 4.05Å; I74-L124 HydrophobicContact CD1-CD1 4.2Å; I74-L124 HydrophobicContact CG2-CD1 3.88Å; I74-I128 HydrophobicContact CD1-CD1 3.96Å; I74-I128 HydrophobicContact CD1-CG1 3.72Å
75F96Very high95.2Very high5 Ų535.3 Ų35.32%0.02220%0.203CC..EExtended strand (participates in β ladder)trans-100.4129.9179-66.7-91.1000110.9F42 L52 A73 P85 M86 Y88F42-F75 HydrophobicContact CB-CD1 4.28Å; F42-F75 HydrophobicContact CB-CE1 4.41Å; F42-F75 AromaticContact CD2-CD1 3.75Å; F42-F75 HydrophobicContact CD2-CD1 3.75Å; F42-F75 HydrophobicContact CD2-CD2 4.22Å; F42-F75 AromaticContact CD2-CE1 3.86Å; F42-F75 HydrophobicContact CD2-CE1 3.86Å; F42-F75 HydrophobicContact CD2-CE2 4.32Å; F42-F75 AromaticContact CD2-CG 3.94Å; F42-F75 HydrophobicContact CD2-CG 3.94Å; F42-F75 HydrophobicContact CD2-CZ 4.14Å; F42-F75 HydrophobicContact CE2-CD2 4.29Å; F42-F75 HydrophobicContact CE2-CE2 4.49Å; F42-F75 HydrophobicContact CE2-CG 4.32Å; F42-F75 HydrophobicContact CG-CD1 4.29Å; L52-F75 HydrophobicContact CB-CD1 4.49Å; L52-F75 HydrophobicContact CD1-CB 4.48Å; A73-F75 HydrophobicContact CB-CD2 4.46Å; A73-F75 HydrophobicContact CB-CE2 3.73Å; A73-F75 HydrophobicContact CB-CZ 4.3Å; F75-P85 CarbonylContact O-C 3.58Å; F75-P85 WeakPolarHBondContact O-CA 3.3Å; F75-M86 HydrophobicContact CB-CB 4.49Å; F75-M86 PolarHBondContact N-O 3.49Å; F75-M86 PolarHBondContact O-N 3.5Å; F75-Y88 HydrophobicContact CD2-CD2 4.01Å; F75-Y88 HydrophobicContact CD2-CE2 4.4Å; F75-Y88 AromaticContact CE2-CD2 3.98Å; F75-Y88 HydrophobicContact CE2-CD2 3.98Å
76L95.7Very high95.5Very high0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-102.3119.3176.7-54.7-176.7000109.6Y15 V21 V25 V53 I74 Y80 P85 L124Y15-L76 HydrophobicContact CE1-CB 4.23Å; Y15-L76 WeakPolarHBondContact CE1-O 3.26Å; Y15-L76 PolarHBondContact OH-O 3.09Å; V21-L76 HydrophobicContact CG1-CD1 4Å; V25-L76 HydrophobicContact CG2-CD1 3.44Å; V25-L76 VanDerWaalsContact CG2-CD1 3.44Å; V53-L76 HydrophobicContact CB-CB 4.42Å; V53-L76 HydrophobicContact CG1-CD1 3.94Å; V53-L76 HydrophobicContact CG1-CG 4.42Å; V53-L76 PolarHBondContact O-N 2.89Å; I74-L76 HydrophobicContact CG2-CD2 4.37Å; L76-Y80 HydrophobicContact CD2-CD2 3.88Å; L76-Y80 HydrophobicContact CD2-CE2 3.97Å; L76-Y80 HydrophobicContact CD2-CG 4.42Å; L76-P85 HydrophobicContact CD2-CB 3.8Å; L76-P85 HydrophobicContact CD2-CG 3.69Å; L76-L124 HydrophobicContact CD2-CD1 4.39Å
77F94.2Very high95.7Very high4 Ų432 Ų322%0.01817%0.166CC..PPolyproline II helixtrans-74.4161.1174.6-73-84000112.2Y15 F42 L52 A79 Y80 K83 M86Y15-F77 WeakPolarHBondContact CD1-O 3.22Å; Y15-F77 WeakPolarHBondContact CE1-O 3.38Å; F42-F77 HydrophobicContact CD1-CE1 4.44Å; F42-F77 HydrophobicContact CE1-CE1 4.26Å; F42-F77 HydrophobicContact CE1-CZ 4.02Å; L52-F77 HydrophobicContact CD1-CD1 3.96Å; L52-F77 HydrophobicContact CD1-CE1 3.96Å; L52-F77 HydrophobicContact CD1-CG 4.48Å; L52-F77 HydrophobicContact CD1-CZ 4.48Å; F77-A79 PolarHBondContact O-N 3.29Å; F77-Y80 VanDerWaalsContact O-CB 3.23Å; F77-Y80 WeakPolarHBondContact O-CB 3.43Å; F77-Y80 PolarHBondContact O-N 3.34Å; F77-K83 HydrophobicContact CB-CD 3.89Å; F77-K83 HydrophobicContact CD2-CD 4.04Å; F77-K83 HydrophobicContact CG-CD 3.95Å; F77-M86 HydrophobicContact CE2-CB 3.83Å; F77-M86 HydrophobicContact CE2-CE 3.75Å; F77-M86 HydrophobicContact CE2-SD 4.41Å; F77-M86 HydrophobicContact CZ-CB 4.5Å; F77-M86 HydrophobicContact CZ-CE 3.63Å; F77-M86 HydrophobicContact CZ-SD 4.24Å
78E92.8Very high95.8Very high36 Ų3629.9 Ų29.917%0.16815%0.148CC..THydrogen-bonded Turntrans-58.6-26-178.1-57.493.815800113.6K14 T16 R50 L52K14-E78 HydrophobicContact CB-CG 4.42Å; T16-E78 PolarHBondContact N-O 3.47Å; R50-E78 WeakPolarHBondContact CD-OE1 3.44Å; R50-E78 IonicContact NH1-OE1 3.12Å; R50-E78 IonicContact NH1-OE2 3.94Å; R50-E78 PolarHBondContact NH1-OE2 2.98Å; L52-E78 HydrophobicContact CD2-CG 4.34Å
79A94Very high96Very high42 Ų4224.7 Ų24.735%0.34713%0.128SC..THydrogen-bonded Turntrans-86.10178.100000114.7F77 H82 K83F77-A79 PolarHBondContact O-N 3.29Å; A79-H82 PolarHBondContact O-N 2.88Å; A79-K83 HydrophobicContact CB-CB 4Å; A79-K83 PolarHBondContact O-N 3.32Å
80Y95.1Very high96Very high0 Ų024.3 Ų24.30%012%0.12CC..THydrogen-bonded Turntrans-56.8137172.2-177.6-84.8000110.4I20 V21 D24 L76 F77 P85 W117I20-Y80 HydrophobicContact CG2-CE1 4.36Å; V21-Y80 HydrophobicContact CB-CD1 4.48Å; V21-Y80 HydrophobicContact CG2-CD1 3.66Å; V21-Y80 HydrophobicContact CG2-CE1 4.46Å; V21-Y80 HydrophobicContact CG2-CG 4.46Å; D24-Y80 HydrophobicContact CB-CE1 4.21Å; D24-Y80 WeakPolarHBondContact CB-OH 3.33Å; D24-Y80 WeakPolarHBondContact OD2-CE1 3.5Å; D24-Y80 PolarHBondContact OD2-OH 3.4Å; L76-Y80 HydrophobicContact CD2-CD2 3.88Å; L76-Y80 HydrophobicContact CD2-CE2 3.97Å; L76-Y80 HydrophobicContact CD2-CG 4.42Å; F77-Y80 VanDerWaalsContact O-CB 3.23Å; F77-Y80 WeakPolarHBondContact O-CB 3.43Å; F77-Y80 PolarHBondContact O-N 3.34Å; Y80-P85 HydrophobicContact CD2-CG 4.14Å; Y80-P85 HydrophobicContact CE2-CG 3.84Å; Y80-W117 HydrophobicContact CD2-CZ2 4.39Å; Y80-W117 HydrophobicContact CE2-CH2 4.1Å; Y80-W117 AromaticContact CE2-CZ2 3.56Å; Y80-W117 HydrophobicContact CE2-CZ2 3.56Å
81P95.2Very high95.9Very high0 Ų026.4 Ų26.40%013%0.134CC..THydrogen-bonded Turncis-91.51.512.139.6-42000115.1I20 K83 W117 H119I20-P81 HydrophobicContact CD1-CG 3.97Å; I20-P81 HydrophobicContact CG2-CB 4.18Å; I20-P81 HydrophobicContact CG2-CG 3.92Å; P81-K83 VanDerWaalsContact C-N 3.25Å; P81-K83 PolarHBondContact O-N 2.92Å; P81-W117 PolarHBondContact O-NE1 3.42Å; P81-H119 HydrophobicContact CB-CB 4.03Å; P81-H119 HydrophobicContact CG-CB 3.95Å; P81-H119 VanDerWaalsContact CG-CG 3.44Å; P81-H119 WeakPolarHBondContact CG-ND1 3.43Å
82H94.9Very high95.6Very high111 Ų11129 Ų2951%0.51415%0.149SC..SBendtrans-77.8-12.4-177.9-68.6-81.8000113.5Y17 A79Y17-H82 AromaticContact CE2-CD2 3.38Å; Y17-H82 WeakPolarHBondContact CE2-CD2 3.37Å; Y17-H82 AromaticContact CE2-NE2 3.98Å; Y17-H82 AromaticContact CZ-CD2 3.72Å; Y17-H82 AromaticContact CZ-NE2 3.83Å; A79-H82 PolarHBondContact O-N 2.88Å
83K94.2Very high95.2Very high91 Ų9136.1 Ų36.140%0.39619%0.188SC..SBendtrans-115.1132.9169.4-174.8177.2177.5-171.40109.1F77 A79 P81F77-K83 HydrophobicContact CB-CD 3.89Å; F77-K83 HydrophobicContact CD2-CD 4.04Å; F77-K83 HydrophobicContact CG-CD 3.95Å; A79-K83 HydrophobicContact CB-CB 4Å; A79-K83 PolarHBondContact O-N 3.32Å; P81-K83 VanDerWaalsContact C-N 3.25Å; P81-K83 PolarHBondContact O-N 2.92Å
84A96.4Very high94.8Very high22 Ų2239.8 Ų39.818%0.18221%0.21CC..  trans-56.5145.6176.700000111.6M114 W117A84-M114 HydrophobicContact CB-CB 4.49Å; A84-W117 HydrophobicContact CB-CB 3.66Å; A84-W117 HydrophobicContact CB-CD2 3.98Å; A84-W117 HydrophobicContact CB-CE3 4.43Å; A84-W117 HydrophobicContact CB-CG 3.6Å
85P96.7Very high94.6Very high4 Ų442 Ų423%0.02622%0.221CC..  trans-56.2161.5164.9-23.434.6000111.8I74 F75 L76 Y80 M114 W117 L124 L127I74-P85 HydrophobicContact CG2-CB 3.57Å; I74-P85 HydrophobicContact CG2-CG 4.44Å; F75-P85 CarbonylContact O-C 3.58Å; F75-P85 WeakPolarHBondContact O-CA 3.3Å; L76-P85 HydrophobicContact CD2-CB 3.8Å; L76-P85 HydrophobicContact CD2-CG 3.69Å; Y80-P85 HydrophobicContact CD2-CG 4.14Å; Y80-P85 HydrophobicContact CE2-CG 3.84Å; P85-M114 WeakPolarHBondContact O-CE 3.45Å; P85-W117 HydrophobicContact CG-CH2 3.99Å; P85-W117 HydrophobicContact CG-CZ2 4.32Å; P85-W117 HydrophobicContact CG-CZ3 4.24Å; P85-L124 HydrophobicContact CG-CD1 4.19Å; P85-L127 HydrophobicContact CB-CD2 4.04Å; P85-L127 HydrophobicContact CG-CD2 3.9Å
86M95.8Very high94.4Very high49 Ų4946.2 Ų46.224%0.24124%0.241CC..EExtended strand (participates in β ladder)trans-113.7127.8169-174.7176.7-69.100109.4F42 I74 F75 F77 Y88 L108F42-M86 HydrophobicContact CE1-SD 4.25Å; F42-M86 HydrophobicContact CE2-SD 4.12Å; F42-M86 HydrophobicContact CZ-SD 3.44Å; F42-M86 WeakPolarHBondContact CZ-SD 3.44Å; I74-M86 CarbonylContact C-O 3.55Å; I74-M86 WeakPolarHBondContact CA-O 3.45Å; F75-M86 HydrophobicContact CB-CB 4.49Å; F75-M86 PolarHBondContact N-O 3.49Å; F75-M86 PolarHBondContact O-N 3.5Å; F77-M86 HydrophobicContact CE2-CB 3.83Å; F77-M86 HydrophobicContact CE2-CE 3.75Å; F77-M86 HydrophobicContact CE2-SD 4.41Å; F77-M86 HydrophobicContact CZ-CB 4.5Å; F77-M86 HydrophobicContact CZ-CE 3.63Å; F77-M86 HydrophobicContact CZ-SD 4.24Å; M86-Y88 HydrophobicContact CG-CD2 4.32Å; M86-Y88 HydrophobicContact CG-CE2 3.65Å; M86-Y88 HydrophobicContact SD-CE2 3.69Å; M86-L108 HydrophobicContact CG-CD1 3.61Å; M86-L108 HydrophobicContact SD-CD1 4.19Å
87V97.5Very high94.3Very high0 Ų047.5 Ų47.50%025%0.247CC..EExtended strand (participates in β ladder)trans-115.6132.2-171.3-177.70000109.2A73 I74 V109 M114 L127 L131A73-V87 CarbonylContact O-C 3.48Å; A73-V87 WeakPolarHBondContact O-CA 3.5Å; I74-V87 HydrophobicContact CB-CG2 4.48Å; I74-V87 HydrophobicContact CG1-CG1 4.35Å; I74-V87 HydrophobicContact CG1-CG2 4.14Å; I74-V87 HydrophobicContact CG2-CG2 4.05Å; V87-V109 HydrophobicContact CB-CB 4.04Å; V87-V109 HydrophobicContact CB-CG2 4.3Å; V87-V109 HydrophobicContact CG1-CB 4.13Å; V87-V109 HydrophobicContact CG1-CG2 3.9Å; V87-V109 PolarHBondContact O-N 2.83Å; V87-M114 HydrophobicContact CB-CE 4.34Å; V87-M114 HydrophobicContact CG2-CE 3.97Å; V87-M114 HydrophobicContact CG2-SD 4.27Å; V87-L127 HydrophobicContact CG2-CD2 4.01Å; V87-L131 HydrophobicContact CG1-CD1 3.9Å; V87-L131 HydrophobicContact CG1-CD2 4.23Å; V87-L131 HydrophobicContact CG2-CD1 4.42Å
88Y97.3Very high94.3Very high45 Ų4552.2 Ų52.218%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-121143.7172.4-72.7-91.5000110.5F42 I72 A73 F75 M86 G107 L108F42-Y88 AromaticContact CE2-CE2 3.88Å; F42-Y88 HydrophobicContact CE2-CE2 3.88Å; F42-Y88 HydrophobicContact CZ-CE2 4.34Å; I72-Y88 CarbonylContact C-O 3.52Å; I72-Y88 WeakPolarHBondContact CA-O 3.43Å; A73-Y88 PolarHBondContact N-O 2.91Å; A73-Y88 PolarHBondContact O-N 3.3Å; F75-Y88 HydrophobicContact CD2-CD2 4.01Å; F75-Y88 HydrophobicContact CD2-CE2 4.4Å; F75-Y88 AromaticContact CE2-CD2 3.98Å; F75-Y88 HydrophobicContact CE2-CD2 3.98Å; M86-Y88 HydrophobicContact CG-CD2 4.32Å; M86-Y88 HydrophobicContact CG-CE2 3.65Å; M86-Y88 HydrophobicContact SD-CE2 3.69Å; Y88-G107 CarbonylContact C-O 3.56Å; Y88-G107 VanDerWaalsContact CA-O 3.27Å; Y88-G107 WeakPolarHBondContact CA-O 3.33Å; Y88-L108 HydrophobicContact CD1-CB 4.1Å; Y88-L108 HydrophobicContact CD1-CD1 4.42Å; Y88-L108 HydrophobicContact CE1-CB 3.71Å; Y88-L108 HydrophobicContact CE1-CD1 3.9Å; Y88-L108 HydrophobicContact CE1-CG 4.37Å; Y88-L108 HydrophobicContact CE2-CD1 4Å
89V97.8Very high94.3Very high4 Ų453.9 Ų53.92%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-84.7122.5162.2178.90000107.6I70 P91 V103 G107 V109 F135 P140 V141I70-V89 HydrophobicContact CG2-CG1 4.5Å; V89-P91 WeakPolarHBondContact O-CD 3.47Å; V89-V103 HydrophobicContact CG2-CG1 4.23Å; V89-G107 PolarHBondContact N-O 3.36Å; V89-V109 HydrophobicContact CG2-CG2 3.76Å; V89-F135 HydrophobicContact CG2-CE2 4.16Å; V89-F135 HydrophobicContact CG2-CZ 3.74Å; V89-P140 HydrophobicContact CG1-CB 4.37Å; V89-P140 HydrophobicContact CG1-CG 4.25Å; V89-P140 HydrophobicContact CG2-CB 3.95Å; V89-P140 HydrophobicContact CG2-CG 4.04Å; V89-V141 HydrophobicContact CG1-CG1 3.48Å; V89-V141 VanDerWaalsContact CG1-CG1 3.48Å
90R95.7Very high94.2Very high81 Ų8153.9 Ų53.931%0.30628%0.28SS..  trans-108.781.6-177.6-76.6-167.4167.5178.2-15.5110.3E40 D56 P71 A73E40-R90 IonicContact OE1-CZ 3.88Å; E40-R90 IonicContact OE1-NH1 3.95Å; E40-R90 IonicContact OE1-NH2 2.69Å; E40-R90 PolarHBondContact OE1-NH2 2.9Å; E40-R90 VanDerWaalsContact OE1-NH2 3.12Å; E40-R90 IonicContact OE2-NH1 3.61Å; E40-R90 PolarHBondContact OE2-NH1 3.4Å; E40-R90 IonicContact OE2-NH2 2.74Å; D56-R90 WeakPolarHBondContact OD2-CD 3.37Å; D56-R90 IonicContact OD2-CZ 3.75Å; D56-R90 IonicContact OD2-NE 2.72Å; D56-R90 IonicContact OD2-NH1 3.88Å; D56-R90 PolarHBondContact OD2-NH1 3.33Å; P71-R90 WeakPolarHBondContact CB-O 3.46Å; P71-R90 WeakPolarHBondContact CG-O 3.4Å; P71-R90 PolarHBondContact O-N 2.86Å; A73-R90 HydrophobicContact CB-CG 4.04Å
91P93.8Very high94.2Very high48 Ų4861.3 Ų61.331%0.31232%0.319SS..  trans-58.3142.3-177.829.2-38.7000111.2V89 M95 I97 V141V89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-M95 HydrophobicContact CB-CB 3.79Å; P91-I97 HydrophobicContact CB-CG1 4.42Å; P91-I97 HydrophobicContact CG-CD1 3.87Å; P91-I97 HydrophobicContact CG-CG1 3.81Å; P91-V141 HydrophobicContact CB-CG1 4.33Å
92T91.9Very high94.2Very high66 Ų6664.4 Ų64.441%0.40533%0.333SS..  trans-75.2171.6168.764.10000110.7T94 M95T92-T94 PolarHBondContact O-N 2.76Å; T92-T94 PolarHBondContact OG1-OG1 3.48Å; T92-M95 HydrophobicContact CG2-SD 4.3Å; T92-M95 PolarHBondContact O-N 3.48Å; T92-M95 VanDerWaalsContact O-O 3.12Å; T92-M95 WeakPolarHBondContact OG1-CG 3.45Å; T92-M95 PolarHBondContact OG1-SD 3.28Å
93N90.1Very high94.3Very high151 Ų15159.2 Ų59.281%0.80731%0.309SS*.THydrogen-bonded Turntrans-56.8-27.6-180-67.3-15.9000113.6K144N93-K144 WeakPolarHBondContact O-CD 2.96Å; N93-K144 PolarHBondContact O-NZ 2.92Å
94T88.9Confident94.3Very high76 Ų7657.9 Ų57.947%0.46631%0.306SS..THydrogen-bonded Turntrans-90.42.1177.558.70000113.4T92 S143 K144T92-T94 PolarHBondContact O-N 2.76Å; T92-T94 PolarHBondContact OG1-OG1 3.48Å; T94-S143 CarbonylContact O-C 3.53Å; T94-S143 WeakPolarHBondContact O-CA 3.46Å; T94-S143 PolarHBondContact O-OG 3.44Å; T94-K144 PolarHBondContact O-N 2.8Å
95M92.3Very high94.2Very high47 Ų4761.5 Ų61.523%0.23233%0.33CS..EExtended strand (participates in β ladder)trans-117.2157.4179.7-65.9171.5178.900110.8P71 P91 T92 V141 F142 K144P71-M95 HydrophobicContact CG-SD 4.05Å; P91-M95 HydrophobicContact CB-CB 3.79Å; T92-M95 HydrophobicContact CG2-SD 4.3Å; T92-M95 PolarHBondContact O-N 3.48Å; T92-M95 VanDerWaalsContact O-O 3.12Å; T92-M95 WeakPolarHBondContact OG1-CG 3.45Å; T92-M95 PolarHBondContact OG1-SD 3.28Å; M95-V141 HydrophobicContact CB-CB 4.48Å; M95-V141 HydrophobicContact SD-CG2 4.34Å; M95-F142 CarbonylContact C-O 3.57Å; M95-F142 VanDerWaalsContact CA-O 3.29Å; M95-F142 WeakPolarHBondContact CA-O 3.38Å; M95-K144 WeakPolarHBondContact O-CE 3.23Å; M95-K144 PolarHBondContact O-NZ 3.43Å
96Q91.2Very high94Very high93 Ų9364.7 Ų64.744%0.43536%0.357SS..EExtended strand (participates in β ladder)trans-134.8141.5171.8-177169.5-6.700109.1V141 F142 K144Q96-V141 CarbonylContact O-C 3.56Å; Q96-V141 WeakPolarHBondContact O-CA 3.39Å; Q96-F142 HydrophobicContact CB-CD1 4.29Å; Q96-F142 HydrophobicContact CB-CE1 3.72Å; Q96-F142 HydrophobicContact CB-CE2 3.98Å; Q96-F142 HydrophobicContact CB-CZ 3.56Å; Q96-F142 VanDerWaalsContact CD-CZ 3.44Å; Q96-F142 HydrophobicContact CG-CE1 3.77Å; Q96-F142 HydrophobicContact CG-CE2 4.48Å; Q96-F142 HydrophobicContact CG-CZ 3.63Å; Q96-F142 PolarHBondContact N-O 2.92Å; Q96-F142 WeakPolarHBondContact O-CD1 3.38Å; Q96-F142 PolarHBondContact O-N 3.21Å; Q96-K144 HydrophobicContact CB-CG 4.3Å
97I95Very high94Very high27 Ų2762.4 Ų62.414%0.13835%0.345CS..EExtended strand (participates in β ladder)trans-64.7135.4175.2-70.9153.6000108.7P91 P99 V103 D104 P140P91-I97 HydrophobicContact CB-CG1 4.42Å; P91-I97 HydrophobicContact CG-CD1 3.87Å; P91-I97 HydrophobicContact CG-CG1 3.81Å; I97-P99 WeakPolarHBondContact O-CD 3.5Å; I97-V103 HydrophobicContact CG2-CG1 4.3Å; I97-D104 WeakPolarHBondContact CG2-O 3.47Å; I97-P140 WeakPolarHBondContact CA-O 3.44Å
98K92.8Very high93.9Very high103 Ų10363.9 Ų63.945%0.44835%0.353SS..  trans-105.2100.6168.4-174.8-179.8176.8-176.30107.2P140 F142K98-P140 PolarHBondContact N-O 3.41Å; K98-F142 HydrophobicContact CB-CD1 4.09Å
99P93.5Very high93.9Very high71 Ų7161.8 Ų61.846%0.46135%0.345SS..  trans-56.3142.9176.3-23.934.1000111.2I97 V103I97-P99 WeakPolarHBondContact O-CD 3.5Å; P99-V103 CarbonylContact C-O 3.6Å; P99-V103 VanDerWaalsContact CA-O 3.28Å; P99-V103 WeakPolarHBondContact CA-O 3.45Å
100S93Very high93.8Very high43 Ų4367.6 Ų67.630%0.30137%0.372SS..BIsolated β-bridgetrans-146.7-178.417972.70000110F102 V103S100-F102 PolarHBondContact O-N 2.99Å; S100-F102 VanDerWaalsContact O-N 3.11Å; S100-F102 PolarHBondContact OG-N 2.96Å; S100-V103 PolarHBondContact N-O 3.44Å; S100-V103 PolarHBondContact O-N 3.22Å; S100-V103 VanDerWaalsContact O-O 3.05Å; S100-V103 PolarHBondContact OG-N 2.94Å
101D94.2Very high93.8Very high156 Ų15663.8 Ų63.883%0.83436%0.358SS*.THydrogen-bonded Turntrans-58.9-23.2175.9-58.9-35.4000113.1
102F95.7Very high93.9Very high64 Ų6465.1 Ų65.128%0.28137%0.367SS..THydrogen-bonded Turntrans-113.2-6-177-55.5-58.5000114.1S100 V109 Q110 L111 P112 V134S100-F102 PolarHBondContact O-N 2.99Å; S100-F102 VanDerWaalsContact O-N 3.11Å; S100-F102 PolarHBondContact OG-N 2.96Å; F102-V109 CarbonylContact O-C 3.43Å; F102-V109 VanDerWaalsContact O-CA 3.28Å; F102-V109 WeakPolarHBondContact O-CA 3.45Å; F102-Q110 WeakPolarHBondContact CA-O 3.33Å; F102-Q110 WeakPolarHBondContact CB-O 3.44Å; F102-Q110 WeakPolarHBondContact CD1-O 3.18Å; F102-Q110 PolarHBondContact O-N 2.96Å; F102-L111 HydrophobicContact CB-CD2 3.84Å; F102-L111 HydrophobicContact CD1-CD2 3.96Å; F102-L111 HydrophobicContact CD2-CD2 4.43Å; F102-L111 HydrophobicContact CG-CD2 3.82Å; F102-P112 HydrophobicContact CE1-CG 4.27Å; F102-V134 HydrophobicContact CB-CG1 4.41Å; F102-V134 HydrophobicContact CD2-CG1 3.5Å; F102-V134 VanDerWaalsContact CD2-CG1 3.5Å; F102-V134 HydrophobicContact CE2-CG1 4.06Å; F102-V134 HydrophobicContact CG-CG1 4.18Å
103V96.5Very high94.1Very high2 Ų264.2 Ų64.21%0.01236%0.356CS..BIsolated β-bridgetrans-137.1122-178.6-173.30000110V89 I97 P99 S100 L108 V109 F135 P140V89-V103 HydrophobicContact CG2-CG1 4.23Å; I97-V103 HydrophobicContact CG2-CG1 4.3Å; P99-V103 CarbonylContact C-O 3.6Å; P99-V103 VanDerWaalsContact CA-O 3.28Å; P99-V103 WeakPolarHBondContact CA-O 3.45Å; S100-V103 PolarHBondContact N-O 3.44Å; S100-V103 PolarHBondContact O-N 3.22Å; S100-V103 VanDerWaalsContact O-O 3.05Å; S100-V103 PolarHBondContact OG-N 2.94Å; V103-L108 WeakPolarHBondContact CA-O 3.48Å; V103-V109 HydrophobicContact CG2-CG1 4.46Å; V103-V109 HydrophobicContact CG2-CG2 4.15Å; V103-F135 HydrophobicContact CG2-CE1 3.74Å; V103-F135 HydrophobicContact CG2-CZ 4.29Å; V103-P140 HydrophobicContact CG1-CB 4.44Å; V103-P140 HydrophobicContact CG2-CB 3.96Å
104D94.6Very high94.4Very high63 Ų6358.3 Ų58.334%0.33732%0.324SS..  trans-80.7179179.178.85000113I97 A106 G107 L108I97-D104 WeakPolarHBondContact CG2-O 3.47Å; D104-A106 PolarHBondContact O-N 3.39Å; D104-A106 VanDerWaalsContact OD1-C 3.3Å; D104-A106 VanDerWaalsContact OD1-CA 3.3Å; D104-A106 WeakPolarHBondContact OD1-CA 3.25Å; D104-A106 WeakPolarHBondContact OD1-CB 3.14Å; D104-A106 PolarHBondContact OD1-N 2.96Å; D104-G107 PolarHBondContact O-N 3.31Å; D104-G107 PolarHBondContact OD1-N 2.94Å; D104-L108 PolarHBondContact N-O 3.05Å; D104-L108 WeakPolarHBondContact OD1-CB 3.41Å; D104-L108 PolarHBondContact OD1-N 3.29Å; D104-L108 WeakPolarHBondContact OD2-CB 3.19Å
105S93.7Very high94.6Very high99 Ų9960.2 Ų60.269%0.69234%0.336SS*.THydrogen-bonded Turntrans-68.5-18.9178.9-61.60000114.1G107S105-G107 VanDerWaalsContact C-N 3.32Å
106A93.7Very high94.7Very high71 Ų7163.7 Ų63.759%0.58736%0.355SS*.THydrogen-bonded Turntrans-87.1-5.9173.500000112.4D104D104-A106 PolarHBondContact O-N 3.39Å; D104-A106 VanDerWaalsContact OD1-C 3.3Å; D104-A106 VanDerWaalsContact OD1-CA 3.3Å; D104-A106 WeakPolarHBondContact OD1-CA 3.25Å; D104-A106 WeakPolarHBondContact OD1-CB 3.14Å; D104-A106 PolarHBondContact OD1-N 2.96Å
107G94.4Very high95Very high0 Ų060.2 Ų60.20%034%0.338CS..  trans85.37.3-177.700000113.6Y88 V89 D104 S105 V109Y88-G107 CarbonylContact C-O 3.56Å; Y88-G107 VanDerWaalsContact CA-O 3.27Å; Y88-G107 WeakPolarHBondContact CA-O 3.33Å; V89-G107 PolarHBondContact N-O 3.36Å; D104-G107 PolarHBondContact O-N 3.31Å; D104-G107 PolarHBondContact OD1-N 2.94Å; S105-G107 VanDerWaalsContact C-N 3.32Å; G107-V109 PolarHBondContact O-N 2.94Å
108L96.3Very high95Very high31 Ų3165.7 Ų65.716%0.16236%0.361CS..EExtended strand (participates in β ladder)trans-67.2129.317417766.6000109.2M86 Y88 V103 D104M86-L108 HydrophobicContact CG-CD1 3.61Å; M86-L108 HydrophobicContact SD-CD1 4.19Å; Y88-L108 HydrophobicContact CD1-CB 4.1Å; Y88-L108 HydrophobicContact CD1-CD1 4.42Å; Y88-L108 HydrophobicContact CE1-CB 3.71Å; Y88-L108 HydrophobicContact CE1-CD1 3.9Å; Y88-L108 HydrophobicContact CE1-CG 4.37Å; Y88-L108 HydrophobicContact CE2-CD1 4Å; V103-L108 WeakPolarHBondContact CA-O 3.48Å; D104-L108 PolarHBondContact N-O 3.05Å; D104-L108 WeakPolarHBondContact OD1-CB 3.41Å; D104-L108 PolarHBondContact OD1-N 3.29Å; D104-L108 WeakPolarHBondContact OD2-CB 3.19Å
109V97.4Very high94.9Very high2 Ų263.6 Ų63.61%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-96.1129.8179.9-174.50000109.9V87 V89 F102 V103 G107 L111 L131 F135V87-V109 HydrophobicContact CB-CB 4.04Å; V87-V109 HydrophobicContact CB-CG2 4.3Å; V87-V109 HydrophobicContact CG1-CB 4.13Å; V87-V109 HydrophobicContact CG1-CG2 3.9Å; V87-V109 PolarHBondContact O-N 2.83Å; V89-V109 HydrophobicContact CG2-CG2 3.76Å; F102-V109 CarbonylContact O-C 3.43Å; F102-V109 VanDerWaalsContact O-CA 3.28Å; F102-V109 WeakPolarHBondContact O-CA 3.45Å; V103-V109 HydrophobicContact CG2-CG1 4.46Å; V103-V109 HydrophobicContact CG2-CG2 4.15Å; G107-V109 PolarHBondContact O-N 2.94Å; V109-L111 HydrophobicContact CG1-CD1 4.13Å; V109-L111 HydrophobicContact CG1-CD2 4.45Å; V109-L111 HydrophobicContact CG1-CG 3.85Å; V109-L131 HydrophobicContact CG1-CD2 3.75Å; V109-F135 HydrophobicContact CG1-CZ 4.38Å; V109-F135 HydrophobicContact CG2-CZ 3.97Å
110Q96Very high94.8Very high125 Ų12564.9 Ų64.958%0.58436%0.361SS*.  trans-124.7111.1175.3-64.3-173-4.600108.9F102F102-Q110 WeakPolarHBondContact CA-O 3.33Å; F102-Q110 WeakPolarHBondContact CB-O 3.44Å; F102-Q110 WeakPolarHBondContact CD1-O 3.18Å; F102-Q110 PolarHBondContact O-N 2.96Å
111L95.8Very high94.8Very high2 Ų269 Ų691%0.0138%0.38CS..  trans-119147.8-179.9-67.8173.5000110.7F102 V109 Y113 M114 T115 L127 V130 L131 V134F102-L111 HydrophobicContact CB-CD2 3.84Å; F102-L111 HydrophobicContact CD1-CD2 3.96Å; F102-L111 HydrophobicContact CD2-CD2 4.43Å; F102-L111 HydrophobicContact CG-CD2 3.82Å; V109-L111 HydrophobicContact CG1-CD1 4.13Å; V109-L111 HydrophobicContact CG1-CD2 4.45Å; V109-L111 HydrophobicContact CG1-CG 3.85Å; L111-Y113 PolarHBondContact O-N 3.15Å; L111-M114 HydrophobicContact CB-CG 4.25Å; L111-M114 HydrophobicContact CB-SD 4.23Å; L111-M114 HydrophobicContact CG-SD 4.5Å; L111-M114 WeakPolarHBondContact O-CB 3.49Å; L111-M114 PolarHBondContact O-N 3.26Å; L111-T115 PolarHBondContact O-N 3.42Å; L111-T115 PolarHBondContact O-OG1 3.27Å; L111-L127 HydrophobicContact CD1-CD1 4.5Å; L111-V130 HydrophobicContact CD1-CG1 4.08Å; L111-L131 HydrophobicContact CD1-CD2 3.63Å; L111-L131 HydrophobicContact CD1-CG 4.08Å; L111-V134 HydrophobicContact CD2-CB 4.31Å; L111-V134 HydrophobicContact CD2-CG1 4.02Å; L111-V134 HydrophobicContact CD2-CG2 3.93Å
112P95.6Very high94.8Very high76 Ų7662 Ų6249%0.49434%0.344SS..Hα-helixtrans-51.6-39.8171.4-27.435.2000112.7F102 M114 T115 D116F102-P112 HydrophobicContact CE1-CG 4.27Å; P112-M114 PolarHBondContact O-N 3.03Å; P112-T115 WeakPolarHBondContact O-CB 3.25Å; P112-T115 PolarHBondContact O-N 2.9Å; P112-D116 PolarHBondContact O-N 3.4Å
113Y95.8Very high94.6Very high46 Ų4662 Ų6218%0.1835%0.346CS..Hα-helixtrans-57.7-32.8176.1-171.6-91.3000113.6L111 W117 A122 D123 E126 L127 V130L111-Y113 PolarHBondContact O-N 3.15Å; Y113-W117 HydrophobicContact CD1-CE3 4.34Å; Y113-W117 HydrophobicContact CD1-CZ3 4.48Å; Y113-W117 AromaticContact CE1-CE3 3.97Å; Y113-W117 HydrophobicContact CE1-CE3 3.97Å; Y113-W117 AromaticContact CE1-CZ3 3.82Å; Y113-W117 HydrophobicContact CE1-CZ3 3.82Å; Y113-W117 PolarHBondContact O-N 3.48Å; Y113-A122 HydrophobicContact CE1-CB 4.28Å; Y113-A122 WeakPolarHBondContact OH-CA 2.94Å; Y113-D123 PolarHBondContact OH-N 3.37Å; Y113-E126 VanDerWaalsContact CE2-CD 3.49Å; Y113-E126 HydrophobicContact CE2-CG 3.81Å; Y113-E126 WeakPolarHBondContact CE2-OE2 3.44Å; Y113-E126 WeakPolarHBondContact OH-CB 3.29Å; Y113-E126 VanDerWaalsContact OH-CD 3.23Å; Y113-E126 WeakPolarHBondContact OH-CG 3.46Å; Y113-E126 PolarHBondContact OH-OE2 3.31Å; Y113-L127 HydrophobicContact CD1-CB 4.29Å; Y113-L127 HydrophobicContact CD1-CD1 3.9Å; Y113-L127 HydrophobicContact CE1-CB 3.95Å; Y113-L127 HydrophobicContact CE1-CD1 4.41Å; Y113-V130 HydrophobicContact CD2-CG2 4.09Å; Y113-V130 HydrophobicContact CE2-CG2 4.5Å; Y113-V130 HydrophobicContact CG-CG2 4.2Å
114M95.3Very high94.6Very high27 Ų2761.9 Ų61.913%0.13335%0.346CS..Hα-helixtrans-81-31.5176.7-63168.970.400112.1A84 P85 V87 L111 P112 W117 L127A84-M114 HydrophobicContact CB-CB 4.49Å; P85-M114 WeakPolarHBondContact O-CE 3.45Å; V87-M114 HydrophobicContact CB-CE 4.34Å; V87-M114 HydrophobicContact CG2-CE 3.97Å; V87-M114 HydrophobicContact CG2-SD 4.27Å; L111-M114 HydrophobicContact CB-CG 4.25Å; L111-M114 HydrophobicContact CB-SD 4.23Å; L111-M114 HydrophobicContact CG-SD 4.5Å; L111-M114 WeakPolarHBondContact O-CB 3.49Å; L111-M114 PolarHBondContact O-N 3.26Å; P112-M114 PolarHBondContact O-N 3.03Å; M114-W117 VanDerWaalsContact O-CB 3.22Å; M114-W117 WeakPolarHBondContact O-CB 3.23Å; M114-L127 HydrophobicContact CG-CD1 3.66Å; M114-L127 HydrophobicContact SD-CD1 4.14Å
115T94Very high94.7Very high117 Ų11760.9 Ų60.972%0.71834%0.342SS*.Hα-helixtrans-68.3-41.5175.8-54.90000111.4L111 P112 W117L111-T115 PolarHBondContact O-N 3.42Å; L111-T115 PolarHBondContact O-OG1 3.27Å; P112-T115 WeakPolarHBondContact O-CB 3.25Å; P112-T115 PolarHBondContact O-N 2.9Å; T115-W117 VanDerWaalsContact C-N 3.28Å; T115-W117 PolarHBondContact O-N 3.47Å
116D94.5Very high94.8Very high119 Ų11960.4 Ų60.464%0.63633%0.328SS*.THydrogen-bonded Turntrans-89.912.5178.9-67.1-34.9000113.4P112 K118P112-D116 PolarHBondContact O-N 3.4Å; D116-K118 PolarHBondContact O-N 3.26Å
117W96.3Very high94.9Very high20 Ų2057 Ų578%0.07630%0.3CS..  trans-56.4118.4-175.9-179.1-80.3000112.3Y80 P81 A84 P85 Y113 M114 T115 A122 L127Y80-W117 HydrophobicContact CD2-CZ2 4.39Å; Y80-W117 HydrophobicContact CE2-CH2 4.1Å; Y80-W117 AromaticContact CE2-CZ2 3.56Å; Y80-W117 HydrophobicContact CE2-CZ2 3.56Å; P81-W117 PolarHBondContact O-NE1 3.42Å; A84-W117 HydrophobicContact CB-CB 3.66Å; A84-W117 HydrophobicContact CB-CD2 3.98Å; A84-W117 HydrophobicContact CB-CE3 4.43Å; A84-W117 HydrophobicContact CB-CG 3.6Å; P85-W117 HydrophobicContact CG-CH2 3.99Å; P85-W117 HydrophobicContact CG-CZ2 4.32Å; P85-W117 HydrophobicContact CG-CZ3 4.24Å; Y113-W117 HydrophobicContact CD1-CE3 4.34Å; Y113-W117 HydrophobicContact CD1-CZ3 4.48Å; Y113-W117 AromaticContact CE1-CE3 3.97Å; Y113-W117 HydrophobicContact CE1-CE3 3.97Å; Y113-W117 AromaticContact CE1-CZ3 3.82Å; Y113-W117 HydrophobicContact CE1-CZ3 3.82Å; Y113-W117 PolarHBondContact O-N 3.48Å; M114-W117 VanDerWaalsContact O-CB 3.22Å; M114-W117 WeakPolarHBondContact O-CB 3.23Å; T115-W117 VanDerWaalsContact C-N 3.28Å; T115-W117 PolarHBondContact O-N 3.47Å; W117-A122 HydrophobicContact CD2-CB 3.7Å; W117-A122 HydrophobicContact CE3-CB 3.69Å; W117-A122 HydrophobicContact CG-CB 4.21Å; W117-A122 HydrophobicContact CH2-CB 4.26Å; W117-A122 HydrophobicContact CZ2-CB 4.26Å; W117-A122 HydrophobicContact CZ3-CB 3.99Å; W117-L127 HydrophobicContact CZ3-CB 4.24Å; W117-L127 HydrophobicContact CZ3-CD2 4.24Å
118K95.3Very high95.1Very high143 Ų14357 Ų5762%0.62230%0.3SS*.  trans-140.2127.8177.7-70.9175.8-174.2170.60110.6D116 D121 A122D116-K118 PolarHBondContact O-N 3.26Å; K118-D121 PolarHBondContact O-N 3.42Å; K118-D121 VanDerWaalsContact O-N 3.08Å; K118-A122 WeakPolarHBondContact O-CB 3.5Å; K118-A122 PolarHBondContact O-N 2.84Å
119H91.1Very high95.1Very high59 Ų5958 Ų5827%0.27331%0.31SS..THydrogen-bonded Turntrans-79136.4170-175.772.6000109.8P81P81-H119 HydrophobicContact CB-CB 4.03Å; P81-H119 HydrophobicContact CG-CB 3.95Å; P81-H119 VanDerWaalsContact CG-CG 3.44Å; P81-H119 WeakPolarHBondContact CG-ND1 3.43Å
120P92.7Very high95.1Very high97 Ų9759.8 Ų59.863%0.6332%0.321SS*.THydrogen-bonded Turncis-950.29.338.3-36.2000115.9A122P120-A122 PolarHBondContact O-N 2.89Å
121D92Very high95.1Very high131 Ų13153.8 Ų53.870%0.70129%0.293SS*.THydrogen-bonded Turntrans-69.6-32.6-171-56.5-30.1000112.8K118K118-D121 PolarHBondContact O-N 3.42Å; K118-D121 VanDerWaalsContact O-N 3.08Å
122A93.4Very high95.2Very high9 Ų956.1 Ų56.17%0.07430%0.304CS..  trans-94.8135.317800000112.3Y113 W117 K118 P120Y113-A122 HydrophobicContact CE1-CB 4.28Å; Y113-A122 WeakPolarHBondContact OH-CA 2.94Å; W117-A122 HydrophobicContact CD2-CB 3.7Å; W117-A122 HydrophobicContact CE3-CB 3.69Å; W117-A122 HydrophobicContact CG-CB 4.21Å; W117-A122 HydrophobicContact CH2-CB 4.26Å; W117-A122 HydrophobicContact CZ2-CB 4.26Å; W117-A122 HydrophobicContact CZ3-CB 3.99Å; K118-A122 WeakPolarHBondContact O-CB 3.5Å; K118-A122 PolarHBondContact O-N 2.84Å; P120-A122 PolarHBondContact O-N 2.89Å
123D92.4Very high95.2Very high62 Ų6255.3 Ų55.333%0.33230%0.303SS..  trans-135.5167.3176.284.730.1000113.8Y113 V125 E126 L127Y113-D123 PolarHBondContact OH-N 3.37Å; D123-V125 VanDerWaalsContact C-N 3.35Å; D123-V125 PolarHBondContact O-N 3.37Å; D123-V125 WeakPolarHBondContact OD1-CA 3.38Å; D123-V125 WeakPolarHBondContact OD1-CB 3.36Å; D123-V125 PolarHBondContact OD1-N 3.09Å; D123-E126 WeakPolarHBondContact OD1-CB 3.12Å; D123-E126 PolarHBondContact OD1-N 3.22Å; D123-L127 WeakPolarHBondContact O-CB 3.44Å; D123-L127 PolarHBondContact O-N 2.94Å; D123-L127 VanDerWaalsContact O-N 3.08Å
124L95.7Very high95.2Very high1 Ų154.2 Ų54.21%0.00530%0.301CS..Hα-helixtrans-71.6-27.7-175.1-169.157.9000113.3D24 V25 A28 L55 I74 L76 P85 L127 I128D24-L124 HydrophobicContact CB-CB 4.5Å; V25-L124 HydrophobicContact CG2-CD2 4.36Å; A28-L124 HydrophobicContact CB-CB 4.43Å; A28-L124 HydrophobicContact CB-CD2 3.74Å; A28-L124 HydrophobicContact CB-CG 3.92Å; L55-L124 HydrophobicContact CD1-CD2 3.65Å; L55-L124 HydrophobicContact CD1-CG 4.45Å; I74-L124 HydrophobicContact CD1-CD1 4.2Å; I74-L124 HydrophobicContact CG2-CD1 3.88Å; L76-L124 HydrophobicContact CD2-CD1 4.39Å; P85-L124 HydrophobicContact CG-CD1 4.19Å; L124-L127 HydrophobicContact CD1-CD2 4.21Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.27Å; L124-I128 WeakPolarHBondContact O-CG1 3.43Å; L124-I128 PolarHBondContact O-N 2.98Å
125V96.5Very high95.3Very high42 Ų4253 Ų5326%0.25530%0.295SS..Hα-helixtrans-77.1-42.2-178.1177.40000109.7C27 A28 A31 F32 D123 I128 S129C27-V125 HydrophobicContact CB-CG2 4.22Å; A28-V125 HydrophobicContact CB-CG2 4.42Å; A31-V125 HydrophobicContact CB-CG1 4.35Å; F32-V125 HydrophobicContact CE2-CG1 4.26Å; D123-V125 VanDerWaalsContact C-N 3.35Å; D123-V125 PolarHBondContact O-N 3.37Å; D123-V125 WeakPolarHBondContact OD1-CA 3.38Å; D123-V125 WeakPolarHBondContact OD1-CB 3.36Å; D123-V125 PolarHBondContact OD1-N 3.09Å; V125-I128 PolarHBondContact O-N 3.29Å; V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 2.71Å
126E96Very high95.3Very high88 Ų8848.3 Ų48.341%0.41127%0.271SS..Hα-helixtrans-65.8-43174.4-173.5177-157.400110.5Y113 D123 I128 S129 V130Y113-E126 VanDerWaalsContact CE2-CD 3.49Å; Y113-E126 HydrophobicContact CE2-CG 3.81Å; Y113-E126 WeakPolarHBondContact CE2-OE2 3.44Å; Y113-E126 WeakPolarHBondContact OH-CB 3.29Å; Y113-E126 VanDerWaalsContact OH-CD 3.23Å; Y113-E126 WeakPolarHBondContact OH-CG 3.46Å; Y113-E126 PolarHBondContact OH-OE2 3.31Å; D123-E126 WeakPolarHBondContact OD1-CB 3.12Å; D123-E126 PolarHBondContact OD1-N 3.22Å; E126-I128 VanDerWaalsContact C-N 3.28Å; E126-I128 PolarHBondContact O-N 3.35Å; E126-S129 CarbonylContact O-C 3.54Å; E126-S129 WeakPolarHBondContact O-CA 3.32Å; E126-S129 WeakPolarHBondContact O-CB 3.49Å; E126-S129 PolarHBondContact O-N 2.73Å; E126-V130 HydrophobicContact CG-CG2 4.44Å; E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.42Å
127L97.4Very high95.3Very high0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-52.4-45.8172.1176.161.3000112.2P85 V87 L111 Y113 M114 W117 D123 L124 S129 V130 L131P85-L127 HydrophobicContact CB-CD2 4.04Å; P85-L127 HydrophobicContact CG-CD2 3.9Å; V87-L127 HydrophobicContact CG2-CD2 4.01Å; L111-L127 HydrophobicContact CD1-CD1 4.5Å; Y113-L127 HydrophobicContact CD1-CB 4.29Å; Y113-L127 HydrophobicContact CD1-CD1 3.9Å; Y113-L127 HydrophobicContact CE1-CB 3.95Å; Y113-L127 HydrophobicContact CE1-CD1 4.41Å; M114-L127 HydrophobicContact CG-CD1 3.66Å; M114-L127 HydrophobicContact SD-CD1 4.14Å; W117-L127 HydrophobicContact CZ3-CB 4.24Å; W117-L127 HydrophobicContact CZ3-CD2 4.24Å; D123-L127 WeakPolarHBondContact O-CB 3.44Å; D123-L127 PolarHBondContact O-N 2.94Å; D123-L127 VanDerWaalsContact O-N 3.08Å; L124-L127 HydrophobicContact CD1-CD2 4.21Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-V130 PolarHBondContact O-N 3.42Å; L127-L131 HydrophobicContact CG-CD1 4.37Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 3.04Å
128I97.4Very high95.1Very high0 Ų051.9 Ų51.90%029%0.288CS..Hα-helixtrans-67.2-36.3178-63.3162.8000111.3A28 F32 L35 I59 I74 L124 V125 E126 L131 Q132A28-I128 HydrophobicContact CB-CD1 4.23Å; F32-I128 HydrophobicContact CD1-CG2 3.91Å; F32-I128 HydrophobicContact CD2-CB 4.19Å; F32-I128 HydrophobicContact CD2-CD1 3.57Å; F32-I128 HydrophobicContact CD2-CG1 4.48Å; F32-I128 HydrophobicContact CD2-CG2 3.86Å; F32-I128 HydrophobicContact CE1-CB 4.47Å; F32-I128 HydrophobicContact CE1-CG2 3.5Å; F32-I128 VanDerWaalsContact CE1-CG2 3.5Å; F32-I128 HydrophobicContact CE2-CB 3.58Å; F32-I128 HydrophobicContact CE2-CD1 3.75Å; F32-I128 HydrophobicContact CE2-CG1 4.28Å; F32-I128 HydrophobicContact CE2-CG2 3.45Å; F32-I128 VanDerWaalsContact CE2-CG2 3.45Å; F32-I128 HydrophobicContact CG-CD1 4.37Å; F32-I128 HydrophobicContact CG-CG2 4.09Å; F32-I128 HydrophobicContact CZ-CB 3.76Å; F32-I128 HydrophobicContact CZ-CG2 3.26Å; L35-I128 HydrophobicContact CD1-CD1 3.71Å; I59-I128 HydrophobicContact CB-CG2 4.37Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; I74-I128 HydrophobicContact CD1-CD1 3.96Å; I74-I128 HydrophobicContact CD1-CG1 3.72Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.27Å; L124-I128 WeakPolarHBondContact O-CG1 3.43Å; L124-I128 PolarHBondContact O-N 2.98Å; V125-I128 PolarHBondContact O-N 3.29Å; E126-I128 VanDerWaalsContact C-N 3.28Å; E126-I128 PolarHBondContact O-N 3.35Å; I128-L131 WeakPolarHBondContact O-CB 3.5Å; I128-L131 PolarHBondContact O-N 3.35Å; I128-Q132 WeakPolarHBondContact O-CG 3.16Å; I128-Q132 PolarHBondContact O-N 3.25Å
129S96.5Very high95Very high53 Ų5346 Ų4637%0.37127%0.265SS..Hα-helixtrans-65.5-40.4176.2-55.40000111.5V125 E126 L127 Q132 A133V125-S129 PolarHBondContact O-N 2.83Å; V125-S129 PolarHBondContact O-OG 2.71Å; E126-S129 CarbonylContact O-C 3.54Å; E126-S129 WeakPolarHBondContact O-CA 3.32Å; E126-S129 WeakPolarHBondContact O-CB 3.49Å; E126-S129 PolarHBondContact O-N 2.73Å; L127-S129 VanDerWaalsContact C-N 3.33Å; S129-Q132 PolarHBondContact O-N 2.94Å; S129-A133 PolarHBondContact O-N 3.02Å
130V97Very high95.2Very high38 Ų3843.2 Ų43.223%0.2325%0.252CS..Hα-helixtrans-63.9-42.2173.4177.20000110.5L111 Y113 E126 L127 Q132 A133 V134L111-V130 HydrophobicContact CD1-CG1 4.08Å; Y113-V130 HydrophobicContact CD2-CG2 4.09Å; Y113-V130 HydrophobicContact CE2-CG2 4.5Å; Y113-V130 HydrophobicContact CG-CG2 4.2Å; E126-V130 HydrophobicContact CG-CG2 4.44Å; E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.42Å; L127-V130 PolarHBondContact O-N 3.42Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.33Å; V130-A133 PolarHBondContact O-N 2.99Å; V130-V134 HydrophobicContact CG1-CG2 4.27Å; V130-V134 WeakPolarHBondContact O-CG2 3.44Å; V130-V134 PolarHBondContact O-N 2.91Å
131L97.3Very high95.3Very high0 Ų039.1 Ų39.10%023%0.226CC..Hα-helixtrans-58.4-44173.6-72.5165.2000111.8I59 I72 V87 V109 L111 L127 I128 A133 V134 F135I59-L131 HydrophobicContact CD1-CB 3.87Å; I72-L131 HydrophobicContact CD1-CD1 4.31Å; V87-L131 HydrophobicContact CG1-CD1 3.9Å; V87-L131 HydrophobicContact CG1-CD2 4.23Å; V87-L131 HydrophobicContact CG2-CD1 4.42Å; V109-L131 HydrophobicContact CG1-CD2 3.75Å; L111-L131 HydrophobicContact CD1-CD2 3.63Å; L111-L131 HydrophobicContact CD1-CG 4.08Å; L127-L131 HydrophobicContact CG-CD1 4.37Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 3.04Å; I128-L131 WeakPolarHBondContact O-CB 3.5Å; I128-L131 PolarHBondContact O-N 3.35Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.41Å; L131-V134 PolarHBondContact O-N 2.98Å; L131-F135 HydrophobicContact CB-CD2 4.46Å; L131-F135 HydrophobicContact CB-CE2 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.43Å; L131-F135 HydrophobicContact CD2-CE2 3.89Å; L131-F135 HydrophobicContact CD2-CZ 3.74Å; L131-F135 VanDerWaalsContact O-CB 3.25Å; L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 WeakPolarHBondContact O-CD2 3.45Å; L131-F135 VanDerWaalsContact O-CG 3.25Å; L131-F135 WeakPolarHBondContact O-CG 3.49Å; L131-F135 PolarHBondContact O-N 3.4Å
132Q96.8Very high95.3Very high50 Ų5037.2 Ų37.223%0.23421%0.211CC..Hα-helixtrans-61.7-39.4177-71.4178.1-51.400112.6I59 P60 V61 I128 S129 V130 G136I59-Q132 HydrophobicContact CD1-CG 4.2Å; P60-Q132 WeakPolarHBondContact O-CG 3.44Å; P60-Q132 PolarHBondContact O-NE2 2.89Å; V61-Q132 HydrophobicContact CG2-CG 4.49Å; I128-Q132 WeakPolarHBondContact O-CG 3.16Å; I128-Q132 PolarHBondContact O-N 3.25Å; S129-Q132 PolarHBondContact O-N 2.94Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.33Å; Q132-G136 PolarHBondContact O-N 3.49Å
133A95.9Very high95Very high59 Ų5940.7 Ų40.749%0.48824%0.235SC..Hα-helixtrans-66.7-52.5177.200000111.4S129 V130 L131 F135 G136 E137S129-A133 PolarHBondContact O-N 3.02Å; V130-A133 PolarHBondContact O-N 2.99Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.41Å; A133-F135 PolarHBondContact O-N 2.8Å; A133-G136 WeakPolarHBondContact O-CA 3.48Å; A133-G136 PolarHBondContact O-N 3.49Å; A133-G136 VanDerWaalsContact O-N 3.09Å; A133-E137 PolarHBondContact O-N 2.95Å
134V96Very high94.7Very high23 Ų2342.1 Ų42.114%0.13924%0.238CC..Hα-helixtrans-62.8-45.8-178.1174.50000111.4F102 L111 V130 L131 G136 E137 T138F102-V134 HydrophobicContact CB-CG1 4.41Å; F102-V134 HydrophobicContact CD2-CG1 3.5Å; F102-V134 VanDerWaalsContact CD2-CG1 3.5Å; F102-V134 HydrophobicContact CE2-CG1 4.06Å; F102-V134 HydrophobicContact CG-CG1 4.18Å; L111-V134 HydrophobicContact CD2-CB 4.31Å; L111-V134 HydrophobicContact CD2-CG1 4.02Å; L111-V134 HydrophobicContact CD2-CG2 3.93Å; V130-V134 HydrophobicContact CG1-CG2 4.27Å; V130-V134 WeakPolarHBondContact O-CG2 3.44Å; V130-V134 PolarHBondContact O-N 2.91Å; L131-V134 PolarHBondContact O-N 2.98Å; V134-G136 PolarHBondContact O-N 2.95Å; V134-E137 PolarHBondContact O-N 3.48Å; V134-T138 PolarHBondContact O-N 2.95Å
135F96.6Very high93.2Very high2 Ų247.5 Ų47.51%0.00928%0.276CS..Hα-helixtrans-70.2-19.9177.2-63.8-17.7000113.2I59 V61 I70 I72 V89 V103 V109 L131 A133 E137 T138 S139 P140I59-F135 HydrophobicContact CD1-CD2 4.21Å; I59-F135 HydrophobicContact CD1-CE2 4.45Å; V61-F135 HydrophobicContact CB-CB 4.46Å; V61-F135 HydrophobicContact CG1-CB 3.65Å; V61-F135 WeakPolarHBondContact CG1-O 3.47Å; V61-F135 HydrophobicContact CG2-CB 4.01Å; V61-F135 HydrophobicContact CG2-CD2 4.4Å; I70-F135 HydrophobicContact CG2-CD2 4.19Å; I70-F135 HydrophobicContact CG2-CE2 4.36Å; I72-F135 HydrophobicContact CG2-CE2 4.23Å; V89-F135 HydrophobicContact CG2-CE2 4.16Å; V89-F135 HydrophobicContact CG2-CZ 3.74Å; V103-F135 HydrophobicContact CG2-CE1 3.74Å; V103-F135 HydrophobicContact CG2-CZ 4.29Å; V109-F135 HydrophobicContact CG1-CZ 4.38Å; V109-F135 HydrophobicContact CG2-CZ 3.97Å; L131-F135 HydrophobicContact CB-CD2 4.46Å; L131-F135 HydrophobicContact CB-CE2 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.43Å; L131-F135 HydrophobicContact CD2-CE2 3.89Å; L131-F135 HydrophobicContact CD2-CZ 3.74Å; L131-F135 VanDerWaalsContact O-CB 3.25Å; L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 WeakPolarHBondContact O-CD2 3.45Å; L131-F135 VanDerWaalsContact O-CG 3.25Å; L131-F135 WeakPolarHBondContact O-CG 3.49Å; L131-F135 PolarHBondContact O-N 3.4Å; A133-F135 PolarHBondContact O-N 2.8Å; F135-E137 VanDerWaalsContact C-N 3.35Å; F135-T138 WeakPolarHBondContact CA-O 3.46Å; F135-T138 CarbonylContact O-C 3.47Å; F135-S139 WeakPolarHBondContact O-CA 3.38Å; F135-S139 PolarHBondContact O-N 3Å; F135-P140 HydrophobicContact CB-CG 4.42Å; F135-P140 HydrophobicContact CD1-CB 4.01Å; F135-P140 HydrophobicContact CD1-CG 3.66Å; F135-P140 HydrophobicContact CD2-CG 3.88Å; F135-P140 HydrophobicContact CE1-CB 3.81Å; F135-P140 HydrophobicContact CE1-CG 3.75Å; F135-P140 HydrophobicContact CE2-CG 3.95Å; F135-P140 HydrophobicContact CG-CG 3.73Å; F135-P140 HydrophobicContact CZ-CB 4.2Å; F135-P140 HydrophobicContact CZ-CG 3.89Å
136G94.7Very high90.9Very high19 Ų1950.8 Ų50.820%0.19630%0.296CS..Hα-helixtrans-72.5-28.4172.800000113.1V61 R62 Y63 Q132 A133 V134V61-G136 VanDerWaalsContact CG1-N 3.33Å; R62-G136 WeakPolarHBondContact O-CA 3.38Å; Y63-G136 WeakPolarHBondContact CD2-O 3.31Å; Q132-G136 PolarHBondContact O-N 3.49Å; A133-G136 WeakPolarHBondContact O-CA 3.48Å; A133-G136 PolarHBondContact O-N 3.49Å; A133-G136 VanDerWaalsContact O-N 3.09Å; V134-G136 PolarHBondContact O-N 2.95Å
137E93.9Very high88.3Confident154 Ų15454 Ų5472%0.7232%0.315SS*.Hα-helixtrans-83.2-48.3172.2-64.5-178.5-179.200111.4A133 V134 F135A133-E137 PolarHBondContact O-N 2.95Å; V134-E137 PolarHBondContact O-N 3.48Å; F135-E137 VanDerWaalsContact C-N 3.35Å
138T92.9Very high85.3Confident60 Ų6058.6 Ų58.637%0.36834%0.343SS..SBendtrans-13199.2179.831.90000111.1V134 F135V134-T138 PolarHBondContact O-N 2.95Å; F135-T138 WeakPolarHBondContact CA-O 3.46Å; F135-T138 CarbonylContact O-C 3.47Å
139S93.4Very high82.4Confident18 Ų1867.8 Ų67.813%0.12638%0.383CS..  trans-57.6127.2176.3-1800000111F135 V141F135-S139 WeakPolarHBondContact O-CA 3.38Å; F135-S139 PolarHBondContact O-N 3Å; S139-V141 PolarHBondContact O-N 3.16Å; S139-V141 PolarHBondContact OG-O 3.15Å
140P94.4Very high79.7Confident1 Ų176.1 Ų76.11%0.00641%0.406CS..SBendtrans-81.4-4-178.136.2-39.4000112.8I70 V89 I97 K98 V103 F135I70-P140 HydrophobicContact CG2-CG 3.8Å; V89-P140 HydrophobicContact CG1-CB 4.37Å; V89-P140 HydrophobicContact CG1-CG 4.25Å; V89-P140 HydrophobicContact CG2-CB 3.95Å; V89-P140 HydrophobicContact CG2-CG 4.04Å; I97-P140 WeakPolarHBondContact CA-O 3.44Å; K98-P140 PolarHBondContact N-O 3.41Å; V103-P140 HydrophobicContact CG1-CB 4.44Å; V103-P140 HydrophobicContact CG2-CB 3.96Å; F135-P140 HydrophobicContact CB-CG 4.42Å; F135-P140 HydrophobicContact CD1-CB 4.01Å; F135-P140 HydrophobicContact CD1-CG 3.66Å; F135-P140 HydrophobicContact CD2-CG 3.88Å; F135-P140 HydrophobicContact CE1-CB 3.81Å; F135-P140 HydrophobicContact CE1-CG 3.75Å; F135-P140 HydrophobicContact CE2-CG 3.95Å; F135-P140 HydrophobicContact CG-CG 3.73Å; F135-P140 HydrophobicContact CZ-CB 4.2Å; F135-P140 HydrophobicContact CZ-CG 3.89Å
141V95.1Very high76.8Confident12 Ų1282.1 Ų82.17%0.07343%0.432CS..EExtended strand (participates in β ladder)trans-136.5156177.5-64.40000111.2I70 V89 P91 M95 Q96 S139I70-V141 HydrophobicContact CD1-CG2 3.8Å; I70-V141 HydrophobicContact CG2-CG2 4.5Å; V89-V141 HydrophobicContact CG1-CG1 3.48Å; V89-V141 VanDerWaalsContact CG1-CG1 3.48Å; P91-V141 HydrophobicContact CB-CG1 4.33Å; M95-V141 HydrophobicContact CB-CB 4.48Å; M95-V141 HydrophobicContact SD-CG2 4.34Å; Q96-V141 CarbonylContact O-C 3.56Å; Q96-V141 WeakPolarHBondContact O-CA 3.39Å; S139-V141 PolarHBondContact O-N 3.16Å; S139-V141 PolarHBondContact OG-O 3.15Å
142F91.8Very high73.8Confident91 Ų9187.3 Ų87.340%0.39947%0.468SS..EExtended strand (participates in β ladder)trans-130.2155.2165.663.6-82.3000110.2M95 Q96 K98M95-F142 CarbonylContact C-O 3.57Å; M95-F142 VanDerWaalsContact CA-O 3.29Å; M95-F142 WeakPolarHBondContact CA-O 3.38Å; Q96-F142 HydrophobicContact CB-CD1 4.29Å; Q96-F142 HydrophobicContact CB-CE1 3.72Å; Q96-F142 HydrophobicContact CB-CE2 3.98Å; Q96-F142 HydrophobicContact CB-CZ 3.56Å; Q96-F142 VanDerWaalsContact CD-CZ 3.44Å; Q96-F142 HydrophobicContact CG-CE1 3.77Å; Q96-F142 HydrophobicContact CG-CE2 4.48Å; Q96-F142 HydrophobicContact CG-CZ 3.63Å; Q96-F142 PolarHBondContact N-O 2.92Å; Q96-F142 WeakPolarHBondContact O-CD1 3.38Å; Q96-F142 PolarHBondContact O-N 3.21Å; K98-F142 HydrophobicContact CB-CD1 4.09Å
143S88Confident71.1Confident82 Ų8292.3 Ų92.357%0.57350%0.495SS*.EExtended strand (participates in β ladder)trans-75.7132.1174-170.70000109.6T94 S145T94-S143 CarbonylContact O-C 3.53Å; T94-S143 WeakPolarHBondContact O-CA 3.46Å; T94-S143 PolarHBondContact O-OG 3.44Å; S143-S145 PolarHBondContact O-N 3.2Å
144K85.1Confident68.5Low92 Ų9296.5 Ų96.540%0.451%0.51SS..  trans-63.5121.2164.4-63.3176.8-175.6159.10107.3N93 T94 M95 Q96 T146N93-K144 WeakPolarHBondContact O-CD 2.96Å; N93-K144 PolarHBondContact O-NZ 2.92Å; T94-K144 PolarHBondContact O-N 2.8Å; M95-K144 WeakPolarHBondContact O-CE 3.23Å; M95-K144 PolarHBondContact O-NZ 3.43Å; Q96-K144 HydrophobicContact CB-CG 4.3Å; K144-T146 PolarHBondContact O-N 3.01Å
145S64.2Low66.4Low113 Ų113101 Ų10179%0.7954%0.539SS*.  trans-64.7102.5171.3-64.30000108.4S143 I147S143-S145 PolarHBondContact O-N 3.2Å; S145-I147 PolarHBondContact O-N 2.66Å
146T48.9Very low64Low111 Ų111106.7 Ų106.768%0.68158%0.576SS**  trans-67.7103.5162.345.30000106.6K144 T148K144-T146 PolarHBondContact O-N 3.01Å; T146-T148 PolarHBondContact O-N 2.98Å
147I40.3Very low61.4Low157 Ų157111.2 Ų111.281%0.80561%0.605SS**  trans-62.985.8159-60.4171.6000105.2S145 K149S145-I147 PolarHBondContact O-N 2.66Å; I147-K149 VanDerWaalsContact C-N 3.35Å; I147-K149 PolarHBondContact O-N 3.37Å
148T35.6Very low59.2Low96 Ų96111.6 Ų111.659%0.58961%0.612SS**  trans-61.3107.6158.7-58.50000104.4T146 R150T146-T148 PolarHBondContact O-N 2.98Å; T148-R150 HydrophobicContact CG2-CG 3.95Å; T148-R150 PolarHBondContact O-N 3.49Å
149K36.9Very low56.7Low193 Ų193112.9 Ų112.984%0.83962%0.621SS**  trans-52.186153.5-91.1-177.5174.7177.10106.2I147 Q151I147-K149 VanDerWaalsContact C-N 3.35Å; I147-K149 PolarHBondContact O-N 3.37Å; K149-Q151 VanDerWaalsContact C-N 3.28Å; K149-Q151 PolarHBondContact O-N 2.98Å
150R38.7Very low54.4Low227 Ų227118.9 Ų118.986%0.85765%0.647SS**  trans-70.398.7163.6-77.7-169.8-173.9176.53.3104.6T148 S152T148-R150 HydrophobicContact CG2-CG 3.95Å; T148-R150 PolarHBondContact O-N 3.49Å; R150-S152 PolarHBondContact O-N 3.47Å
151Q37.4Very low51.7Low165 Ų165127.6 Ų127.677%0.77169%0.685SS**  trans-44.7122.2162.3-80169.6-30.200108.2K149 L153K149-Q151 VanDerWaalsContact C-N 3.28Å; K149-Q151 PolarHBondContact O-N 2.98Å; Q151-L153 PolarHBondContact O-N 2.93Å
152S34Very low48.9Very low108 Ų108135 Ų13576%0.75572%0.723SS**  trans-56.6102167.650.70000109.1R150R150-S152 PolarHBondContact O-N 3.47Å
153L39.3Very low46.4Very low155 Ų155133.6 Ų133.681%0.81273%0.733SS**  trans-100.4103.9160.7-82.4126.7000107.2Q151Q151-L153 PolarHBondContact O-N 2.93Å
154N42.4Very low44.3Very low148 Ų148135.7 Ų135.779%0.79175%0.748SS**PPolyproline II helixtrans-50.3144.5171.4-66.9-23.9000111.7
155P51.1Low42.4Very low117 Ų117139.6 Ų139.676%0.7677%0.77SS**PPolyproline II helixtrans-92.8150.514622.3-6.7000110.6
156P45.5Very low41.6Very low122 Ų122139 Ų13979%0.79276%0.763SS**PPolyproline II helixtrans-79.1148.2-16732.1-33.7000113.4
157S40.1Very low41.5Very low113 Ų113143.7 Ų143.779%0.7977%0.77SS**  trans-23.4135.6161.1490000117.6
158N47.5Very low41.9Very low162 Ų162141.7 Ų141.787%0.86677%0.767SS**  trans-142.9129138.7-151.625.1000110.1
159P42.2Very low42.3Very low87 Ų87140 Ų14057%0.56577%0.769SS**  trans-97.2175.9-18036.1-27.9000112.2
160Q43.9Very low42.8Very low145 Ų145137 Ų13768%0.67877%0.767SS**  trans88.7135.4170.3-39.5-68.1-72.900114.8
161F38.1Very low43.3Very low183 Ų183133.7 Ų133.780%0.80377%0.765SS**  cis-152.3166.520.9-107.2-72.2000111.9
162I36.1Very low43.7Very low169 Ų169130.9 Ų130.987%0.86776%0.761SS**  trans-80.1152.1-169.8-66.9156.3000114
163G39.2Very low44.2Very low60 Ų60134.3 Ų134.362%0.61977%0.765SS**  trans157.588158.100000114.3
164S44.6Very low44.8Very low126 Ų126132.2 Ų132.288%0.88176%0.761SS**  91.4112.7102.762.50000116.9
165M44.7Very low45.3Very low175 Ų175130.4 Ų130.486%0.86276%0.758SS**  trans-58.4-168.3166.3-112.6-170.6-177.200114.5
166P47.2Very low45.5Very low99 Ų99132.9 Ų132.964%0.64376%0.763SS**  cis-147.1177.9-25.736.7-15.8000117.6
167Y46Very low45.4Very low211 Ų211132.4 Ų132.483%0.82776%0.76SS**  trans91.3165.2132.4-99.7-44.8000124.3
168P49.1Very low45.6Very low114 Ų114133.1 Ų133.174%0.7476%0.759SS**  -131.9-168.7-111.947.7-30.8000117.6
169G44.6Very low45.5Very low61 Ų61133.4 Ų133.463%0.62976%0.757SS**  trans160152.9152.800000111.4
170T47.3Very low45.5Very low129 Ų129134.3 Ų134.379%0.79176%0.763SS**  cis175.9131.76.923.80000106.9
171L49.3Very low45.5Very low159 Ų159134.7 Ų134.783%0.83277%0.77SS**  122158.5108.9-84.7170000115.1
172P45.7Very low45.7Very low105 Ų105129.6 Ų129.668%0.68277%0.769SS**  trans-140.4179.5-132.239.7-17.4000119.5
173Q45Very low45.7Very low180 Ų180129.6 Ų129.684%0.84177%0.765SS**  trans75.7167.1151-92.5-165.8800122.2
174P52.2Low45.7Very low111 Ų111133.5 Ų133.572%0.72178%0.777SS**  cis-138.1-175-11.427.9-1.3000116.9
175P52.4Low45.3Very low111 Ų111133.1 Ų133.172%0.72177%0.774SS**  trans-120.4172.4-153.543.2-32.2000117.8
176I55.1Low44.7Very low169 Ų169132.4 Ų132.487%0.86777%0.774SS**  trans-170.6163147.828.2-174000114.3
177P44Very low44.2Very low112 Ų112133.4 Ų133.473%0.72778%0.778SS**  trans-129.3-178-134.635.5-12.9000117.8
178V44.5Very low43.4Very low128 Ų128133.9 Ų133.978%0.77678%0.78SS**  trans138.1108.9138.8179.70000116.4
179M44Very low42.7Very low167 Ų167136 Ų13682%0.82378%0.784SS**  trans-3.6175.1145-73.1-164.1-53.800124.2
180P43.7Very low42.4Very low106 Ų106139.5 Ų139.569%0.68879%0.793SS**  cis-143.3178.3-35.438.8-20.1000115.6
181N41.9Very low41.7Very low154 Ų154142.4 Ų142.482%0.82480%0.798SS**  trans109122.7141.5-122.235.1000120.3
182G43Very low41Very low76 Ų76143 Ų14378%0.78480%0.801SS**  trans15871.8172.500000112.9
183Q37.2Very low40.5Very low168 Ų168141.6 Ų141.679%0.78581%0.806SS**  trans-62141.4-179.6-69160.8-65.500113.3
184T37.9Very low40.2Very low142 Ų142139.8 Ų139.887%0.87181%0.808SS**  -177125.3116.829.50000109.5
185S36.3Very low39.4Very low118 Ų118137.3 Ų137.383%0.82580%0.802SS**  trans-86.1134-171.2-52.60000111.4V187S185-V187 PolarHBondContact O-N 3.33Å
186N32.7Very low38.8Very low160 Ų160144.4 Ų144.486%0.85682%0.815SS**  trans-62.8123.8164.4-80.1-37.1000110.4
187V36.5Very low38Very low120 Ų120145.1 Ų145.173%0.72782%0.815SS**  trans-114.5121.5161.2-177.90000107.3S185 L189S185-V187 PolarHBondContact O-N 3.33Å; V187-L189 PolarHBondContact O-N 3.46Å
188Y29.6Very low37.7Very low221 Ų221147.5 Ų147.587%0.86782%0.82SS**  trans-63.6123.1170.2-74.2-96.4000109.2
189L33.7Very low37.5Very low159 Ų159147.6 Ų147.683%0.83282%0.823SS**  trans-131.8125.5166-111.7142.7000109.4V187V187-L189 PolarHBondContact O-N 3.46Å
190T37.8Very low37.1Very low134 Ų134142.8 Ų142.882%0.82282%0.816SS**  trans-67.4125.4-179.936.30000111.1
191Q32.3Very low37.1Very low190 Ų190143.4 Ų143.489%0.88882%0.823SS**  trans-75.3124.2177.3177.3178.9-18.900111.5
192L34.7Very low36.7Very low171 Ų171140.7 Ų140.790%0.89582%0.822SS**  trans-140.7127.7165.4-94.3160.8000109.2
193G36.9Very low36.6Very low77 Ų77143 Ų14379%0.79482%0.823SS**  trans83.495151.300000118.4
194T38.3Very low36.6Very low142 Ų142141.8 Ų141.887%0.87183%0.827SS**  trans-72.4126167.546.30000112.2
195G34.6Very low36.5Very low59 Ų59143 Ų14361%0.60883%0.827SS**  trans-115151.3171.100000112.6Q197G195-Q197 PolarHBondContact O-N 3.3Å
196W39.3Very low36.6Very low259 Ų259142.6 Ų142.698%0.98182%0.821SS**PPolyproline II helixtrans-60.2123-170.4-7087.1000114.4
197Q38.6Very low36.6Very low185 Ų185142.5 Ų142.586%0.86482%0.821SS**PPolyproline II helixtrans-89.9120.5167.5-71.9-176.9-94.200110.5G195 P199G195-Q197 PolarHBondContact O-N 3.3Å; Q197-P199 WeakPolarHBondContact O-CD 3.33Å
198I39.1Very low36.9Very low162 Ų162144 Ų14483%0.83182%0.824SS**PPolyproline II helixtrans-71.7120.8169.2-52172.2000107.7G200I198-G200 PolarHBondContact O-N 2.89Å
199P40.4Very low37.1Very low130 Ų130138.8 Ų138.884%0.84482%0.817SS**  trans-86.896173.10.618.3000109.4Q197Q197-P199 WeakPolarHBondContact O-CD 3.33Å
200G34.9Very low37.1Very low66 Ų66139.7 Ų139.768%0.6882%0.819SS**  trans-95.9110.4162.800000110.1I198I198-G200 PolarHBondContact O-N 2.89Å
201S43.1Very low37.3Very low118 Ų118138.9 Ų138.983%0.82582%0.816SS**  trans172.4119.3145.9490000110.4
202A34.3Very low37.4Very low98 Ų98138.9 Ų138.981%0.8182%0.816SS**PPolyproline II helixtrans-64.3145.5176.900000113
203P41.1Very low37.4Very low125 Ų125138.5 Ų138.581%0.81281%0.814SS**PPolyproline II helixtrans-97.7134.5162.833.8-25.1000111.3
204V37.1Very low37.5Very low141 Ų141140.3 Ų140.386%0.85581%0.811SS**PPolyproline II helixtrans-68.5133.2173.5174.70000110
205L35.5Very low37.2Very low167 Ų167140.4 Ų140.487%0.87481%0.807SS**PPolyproline II helixtrans-74.3134.5175.7-89.1144.3000112.2
206P37.2Very low37.4Very low110 Ų110147.3 Ų147.371%0.71482%0.82SS**PPolyproline II helixtrans-97129.5154.59.410.2000111.1
207N33.2Very low37.3Very low159 Ų159139 Ų13985%0.8581%0.807SS**PPolyproline II helixtrans-66.3121.9176.7175.884000112.8
208I43.5Very low37.4Very low152 Ų152133.7 Ų133.778%0.77980%0.802SS**  trans-141.3140.6171.4-61.1-174.6000110.2
209P34Very low37.4Very low111 Ų111131.9 Ų131.972%0.72180%0.801SS**PPolyproline II helixtrans-91.5159.4-149.535.3-32.1000115.3
210M33.8Very low36.9Very low177 Ų177135.5 Ų135.587%0.87280%0.803SS**PPolyproline II helixtrans-75130.3-178.3-169.1-171.8-96.200112.2
211P41.5Very low37.1Very low117 Ų117138.6 Ų138.676%0.7681%0.809SS**PPolyproline II helixtrans-87.6133.6165.7-0.719.7000111
212Q35Very low36.8Very low191 Ų191141.9 Ų141.989%0.89381%0.812SS**PPolyproline II helixtrans-73.6143.8-176.1-63174.5-90.700112.9
213L35.1Very low36.8Very low163 Ų163142 Ų14285%0.85381%0.812SS**PPolyproline II helixtrans-67.4142.4173.4-100.386.3000112.5N215L213-N215 PolarHBondContact O-N 3.32Å
214P38.8Very low36.6Very low114 Ų114140.9 Ų140.974%0.7481%0.814SS**PPolyproline II helixtrans-74.5120.2161.7-11.327.7000111.2
215N31.7Very low36.7Very low144 Ų144141.8 Ų141.877%0.7781%0.814SS**PPolyproline II helixtrans-67.8123.8171-175.973.7000110.7L213L213-N215 PolarHBondContact O-N 3.32Å
216F37.2Very low37.1Very low204 Ų204138 Ų13890%0.89580%0.8SS**  trans-123.6104.4163.6-99.9-83.8000110.2
217A38.1Very low36.8Very low85 Ų85140.2 Ų140.270%0.70281%0.805SS**  trans-104.5138.9164.300000108.5
218G41.1Very low36.9Very low73 Ų73139.6 Ų139.675%0.75380%0.801SS**  trans119.1153161.900000116.4
219P38Very low36.6Very low125 Ų125143.3 Ų143.381%0.81281%0.806SS**  -125.4174.2-112.234.4-19.2000115.3
220F30.4Very low36.6Very low205 Ų205142.6 Ų142.690%0.89980%0.804SS**  trans-29.8128.8164-76.8-100.8000115
221T40.3Very low37Very low132 Ų132142.7 Ų142.781%0.8181%0.805SS**  -166.9121.4127.7420000111.8
222Q36.4Very low36.8Very low186 Ų186142.7 Ų142.787%0.86981%0.805SS**  trans67.8102130.7-137.8166.144.400121
223A33.2Very low36.7Very low100 Ų100137.3 Ų137.383%0.82680%0.801SS**  34104.2129.700000119.8
224A37.6Very low37Very low103 Ų103138.6 Ų138.685%0.85180%0.802SS**  trans-163.7113130.700000108
225N39.8Very low36.8Very low159 Ų159141 Ų14185%0.8581%0.809SS**  trans-141.7163174.1-142.433.1000105.7
226P42.6Very low37.4Very low89 Ų89140.4 Ų140.458%0.57881%0.81SS**  -133.7168.5-59.433.5-19.2000110.5
227N31.5Very low37.3Very low155 Ų155136 Ų13683%0.82980%0.802SS**  trans-98.4154.9159.3-126.8-16.4000109.3
228I36.1Very low37.4Very low146 Ų146140.5 Ų140.575%0.74981%0.811SS**  trans99.978.8173.4-47.1162.8000114.1
229Y37.5Very low37.7Very low230 Ų230142.8 Ų142.890%0.90281%0.812SS**  trans-115.6117.8140.9-78.8-76.6000108.9
230S33.9Very low37.7Very low97 Ų97143.7 Ų143.768%0.67882%0.815SS**  trans-87.6123168.126.70000109.2
231M41.5Very low38.3Very low179 Ų179139.3 Ų139.388%0.88281%0.809SS**  trans-155.2159.9165.6-88.7-47.516300110.2
232P37.9Very low38.3Very low116 Ų116138.3 Ų138.375%0.75381%0.805SS**  -99.3164.7-127.937.2-36.1000115
233G32Very low38Very low79 Ų79136.8 Ų136.881%0.81480%0.803SS**  trans-61.9134.6-178.200000114.5
234Q40.6Very low38.5Very low190 Ų190138.1 Ų138.189%0.88880%0.8SS**  trans-140.7105.2156.2-112.8176.4-16.100110.1
235N35.5Very low38.4Very low165 Ų165138 Ų13888%0.88279%0.793SS**  trans-21.4116.1157.6-146.219.2000115.6
236V43.6Very low38.3Very low130 Ų130135 Ų13579%0.78879%0.791SS**  trans-146.3132.5155.1-159.20000110.2
237P36Very low37.9Very low113 Ų113137.6 Ų137.673%0.73481%0.805SS**PPolyproline II helixtrans-87.4146.4-165020.8000113
238M38.9Very low38.3Very low179 Ų179135 Ų13588%0.88280%0.799SS**PPolyproline II helixtrans-72.8139.2173.3-57-143.8-69.300111.5
239P49.5Very low38.4Very low121 Ų121135.2 Ų135.279%0.78680%0.802SS**PPolyproline II helixtrans-85.2122.6165.811.55.2000110.4
240V36.5Very low38.7Very low143 Ų143132.7 Ų132.787%0.86780%0.8SS**PPolyproline II helixtrans-71134.7163.2175.40000108.3
241C42.8Very low38.9Very low114 Ų114132.5 Ų132.577%0.7780%0.797SS**  trans-125.5149.716636.50000110.2
242P41.3Very low38.4Very low111 Ų111134.3 Ų134.372%0.72180%0.795SS**  trans-99.1149.1-133.41.918.1000113.9V244P242-V244 PolarHBondContact O-N 3.18Å
243D30.2Very low38.5Very low154 Ų154135.5 Ų135.582%0.82480%0.795SS**  trans-60.8116.9162.5-172.110.5000109.5
244V43.1Very low38.8Very low128 Ų128138.9 Ų138.978%0.77679%0.793SS**  trans-117.5113.6168-1770000107.8P242P242-V244 PolarHBondContact O-N 3.18Å
245S35.3Very low38.8Very low100 Ų100134 Ų13470%0.69978%0.78SS**  trans-44.2138.8171.8-40.70000114.2
246A38.7Very low39.4Very low97 Ų97132.1 Ų132.180%0.80277%0.774SS**  trans-161.183.8145.400000110.9S248A246-S248 PolarHBondContact O-N 3.46Å
247T33.7Very low39.8Very low142 Ų142131.9 Ų131.987%0.87177%0.768SS**  trans-67.2112.5155.5-12.20000108.3
248S40.5Very low41.1Very low102 Ų102131.3 Ų131.371%0.71376%0.759SS**  trans-173.1117.4147550000110.5A246A246-S248 PolarHBondContact O-N 3.46Å
249N37.3Very low42.6Very low150 Ų150128.9 Ų128.980%0.80275%0.745SS**  trans14.1121.8140.5-67.9-12.9000116.4
250M44.9Very low43.9Very low176 Ų176129.8 Ų129.887%0.86774%0.739SS**  -178.8156.3111.7-91.5-53.6-105.300109.3
251P37Very low45.8Very low94 Ų94128.7 Ų128.761%0.6173%0.725SS**  trans-85.2156.6-15317.9-1.4000111.8N253P251-N253 PolarHBondContact O-N 3.07Å; P251-N253 VanDerWaalsContact O-N 3.09Å
252Y31.2Very low47.5Very low217 Ų217127.4 Ų127.485%0.85171%0.71SS**  trans-7.7102.9148.1-75.2-95.5000113.8I254Y252-I254 HydrophobicContact CD1-CD1 4.22Å
253N40.4Very low49.6Very low141 Ų141129.8 Ų129.875%0.75470%0.704SS**  trans-123.282.6156-139.3-25000108.2P251 S255P251-N253 PolarHBondContact O-N 3.07Å; P251-N253 VanDerWaalsContact O-N 3.09Å; N253-S255 VanDerWaalsContact C-N 3.26Å; N253-S255 PolarHBondContact O-N 3.44Å
254I38.4Very low52.2Low149 Ų149127.8 Ų127.876%0.76469%0.693SS**  trans-65.591.1160.3-65.8166.4000105.1Y252Y252-I254 HydrophobicContact CD1-CD1 4.22Å
255S41.2Very low54.2Low87 Ų87125.4 Ų125.461%0.60868%0.682SS**  trans-165.5109.6169-780000109.4N253N253-S255 VanDerWaalsContact C-N 3.26Å; N253-S255 PolarHBondContact O-N 3.44Å
256T46.6Very low56.8Low126 Ų126124.8 Ų124.877%0.77367%0.674SS**  trans5980.5161.555.80000116.7N258T256-N258 PolarHBondContact O-N 3.23Å
257L53Low59.3Low126 Ų126125.4 Ų125.466%0.6666%0.663SS**  trans-53109.1150.3-99.4148.2000107.2E259 Q261 L262L257-E259 PolarHBondContact O-N 3.26Å; L257-Q261 HydrophobicContact CD2-CB 4.47Å; L257-L262 HydrophobicContact CB-CD1 3.84Å; L257-L262 HydrophobicContact CD1-CD1 4.2Å; L257-L262 HydrophobicContact CD2-CD1 4.23Å; L257-L262 HydrophobicContact CD2-CG 4.27Å; L257-L262 HydrophobicContact CG-CD1 4.32Å
258N62.7Low62Low101 Ų101122.2 Ų122.254%0.5464%0.644SS.*  trans-56.5129.9174-83.9-18.9000107.8T256 E260 Q261 L262T256-N258 PolarHBondContact O-N 3.23Å; N258-E260 PolarHBondContact O-N 3.03Å; N258-Q261 PolarHBondContact O-N 3.02Å; N258-L262 PolarHBondContact O-N 3.38Å
259E70.2Confident64.4Low127 Ų127120.1 Ų120.159%0.59363%0.633SS**Hα-helixtrans-50.5-29.1-178.5-173.2169.9168.900112L257 R263L257-E259 PolarHBondContact O-N 3.26Å; E259-R263 WeakPolarHBondContact O-CB 3.45Å; E259-R263 VanDerWaalsContact O-CG 3.22Å; E259-R263 WeakPolarHBondContact O-CG 3.29Å; E259-R263 PolarHBondContact O-N 3.4Å; E259-R263 IonicContact OE1-CZ 3.29Å; E259-R263 VanDerWaalsContact OE1-CZ 3.29Å; E259-R263 IonicContact OE1-NE 3.47Å; E259-R263 PolarHBondContact OE1-NE 3.16Å; E259-R263 IonicContact OE1-NH2 2.65Å; E259-R263 PolarHBondContact OE1-NH2 3.38Å
260E76.3Confident67.2Low141 Ų141117 Ų11766%0.65962%0.619SS**Hα-helixtrans-64.6-41.3173.6-64-173.416300114.2N258 R263 L264N258-E260 PolarHBondContact O-N 3.03Å; E260-R263 PolarHBondContact O-N 2.88Å; E260-L264 WeakPolarHBondContact O-CB 3.46Å; E260-L264 WeakPolarHBondContact O-CD1 3.41Å; E260-L264 WeakPolarHBondContact O-CG 3.2Å; E260-L264 PolarHBondContact O-N 2.88Å
261Q76.8Confident69.5Low120 Ų120111.7 Ų111.756%0.56160%0.596SS**Hα-helixtrans-69.1-37.9179.2-73.2179.5-5400111.9L257 N258 S265L257-Q261 HydrophobicContact CD2-CB 4.47Å; N258-Q261 PolarHBondContact O-N 3.02Å; Q261-S265 WeakPolarHBondContact O-CB 3.38Å; Q261-S265 PolarHBondContact O-N 2.94Å
262L78.3Confident72.2Confident87 Ų87110.8 Ų110.846%0.45559%0.586SS.*Hα-helixtrans-64.4-44.6171.2-103.8148.3000111.1L257 N258 L264 S265 V266L257-L262 HydrophobicContact CB-CD1 3.84Å; L257-L262 HydrophobicContact CD1-CD1 4.2Å; L257-L262 HydrophobicContact CD2-CD1 4.23Å; L257-L262 HydrophobicContact CD2-CG 4.27Å; L257-L262 HydrophobicContact CG-CD1 4.32Å; N258-L262 PolarHBondContact O-N 3.38Å; L262-L264 PolarHBondContact O-N 2.74Å; L262-S265 PolarHBondContact O-N 3.02Å; L262-V266 WeakPolarHBondContact O-CG2 3.45Å; L262-V266 PolarHBondContact O-N 3.12Å
263R85.1Confident75.2Confident160 Ų160105.4 Ų105.460%0.60457%0.569SS**Hα-helixtrans-61.2-43.3176.1-77.5177.1-179.6-178.41.7112.4E259 E260 V266 L267E259-R263 WeakPolarHBondContact O-CB 3.45Å; E259-R263 VanDerWaalsContact O-CG 3.22Å; E259-R263 WeakPolarHBondContact O-CG 3.29Å; E259-R263 PolarHBondContact O-N 3.4Å; E259-R263 IonicContact OE1-CZ 3.29Å; E259-R263 VanDerWaalsContact OE1-CZ 3.29Å; E259-R263 IonicContact OE1-NE 3.47Å; E259-R263 PolarHBondContact OE1-NE 3.16Å; E259-R263 IonicContact OE1-NH2 2.65Å; E259-R263 PolarHBondContact OE1-NH2 3.38Å; E260-R263 PolarHBondContact O-N 2.88Å; R263-V266 PolarHBondContact O-N 3.42Å; R263-L267 VanDerWaalsContact O-CB 3.26Å; R263-L267 WeakPolarHBondContact O-CB 3.49Å; R263-L267 PolarHBondContact O-N 2.96Å
264L85.1Confident77.8Confident112 Ų112103 Ų10359%0.58656%0.558SS**Hα-helixtrans-63.7-41.2176.1-83.2150.8000112.1E260 L262 T268E260-L264 WeakPolarHBondContact O-CB 3.46Å; E260-L264 WeakPolarHBondContact O-CD1 3.41Å; E260-L264 WeakPolarHBondContact O-CG 3.2Å; E260-L264 PolarHBondContact O-N 2.88Å; L262-L264 PolarHBondContact O-N 2.74Å; L264-T268 WeakPolarHBondContact O-CB 3.39Å; L264-T268 PolarHBondContact O-N 3.39Å; L264-T268 PolarHBondContact O-OG1 3.5Å
265S84.8Confident80.5Confident79 Ų79102.6 Ų102.655%0.55255%0.548SS*.Hα-helixtrans-63.9-47.4175.9-178.20000111.9Q261 L262 T268 A269Q261-S265 WeakPolarHBondContact O-CB 3.38Å; Q261-S265 PolarHBondContact O-N 2.94Å; L262-S265 PolarHBondContact O-N 3.02Å; S265-T268 PolarHBondContact O-N 3Å; S265-A269 WeakPolarHBondContact O-CB 3.27Å; S265-A269 PolarHBondContact O-N 2.6Å
266V90.2Very high83Confident86 Ų86106.5 Ų106.552%0.52155%0.549SS..Hα-helixtrans-64.1-43.1177173.80000111.3L262 R263 T268 A269 V270L262-V266 WeakPolarHBondContact O-CG2 3.45Å; L262-V266 PolarHBondContact O-N 3.12Å; R263-V266 PolarHBondContact O-N 3.42Å; V266-T268 PolarHBondContact O-N 2.92Å; V266-A269 PolarHBondContact O-N 2.72Å; V266-V270 HydrophobicContact CG1-CG2 4.33Å; V266-V270 WeakPolarHBondContact O-CB 3.48Å; V266-V270 VanDerWaalsContact O-CG2 3.28Å; V266-V270 WeakPolarHBondContact O-CG2 3.31Å; V266-V270 PolarHBondContact O-N 3.37Å
267L91.4Very high85.3Confident111 Ų111104 Ų10458%0.58153%0.534SS*.Hα-helixtrans-62.4-44.6177.7-166.2158.7000110.9R263 V270 V271R263-L267 VanDerWaalsContact O-CB 3.26Å; R263-L267 WeakPolarHBondContact O-CB 3.49Å; R263-L267 PolarHBondContact O-N 2.96Å; L267-V270 PolarHBondContact O-N 2.85Å; L267-V271 HydrophobicContact CD2-CG2 3.82Å; L267-V271 WeakPolarHBondContact O-CB 3.28Å; L267-V271 VanDerWaalsContact O-CG2 3.3Å; L267-V271 WeakPolarHBondContact O-CG2 3.37Å; L267-V271 PolarHBondContact O-N 3.14Å
268T90.4Very high87.3Confident75 Ų75103.5 Ų103.546%0.4653%0.528SS..Hα-helixtrans-61.7-44.8176.1-54.90000111.1L264 S265 V266 V270 V271 D272L264-T268 WeakPolarHBondContact O-CB 3.39Å; L264-T268 PolarHBondContact O-N 3.39Å; L264-T268 PolarHBondContact O-OG1 3.5Å; S265-T268 PolarHBondContact O-N 3Å; V266-T268 PolarHBondContact O-N 2.92Å; T268-V270 PolarHBondContact O-N 2.83Å; T268-V271 PolarHBondContact O-N 2.77Å; T268-D272 WeakPolarHBondContact O-CB 3.43Å; T268-D272 PolarHBondContact O-N 2.88Å
269A92Very high88.8Confident58 Ų58104.3 Ų104.348%0.47953%0.526SS..Hα-helixtrans-62.5-40176.900000112.6S265 V266 Q273S265-A269 WeakPolarHBondContact O-CB 3.27Å; S265-A269 PolarHBondContact O-N 2.6Å; V266-A269 PolarHBondContact O-N 2.72Å; A269-Q273 VanDerWaalsContact O-CB 3.27Å; A269-Q273 WeakPolarHBondContact O-CB 3.42Å; A269-Q273 PolarHBondContact O-N 3.17Å
270V94.6Very high90Very high84 Ų84104 Ų10451%0.50953%0.525SS..Hα-helixtrans-67.1-44.2175.4170.80000110.9V266 L267 T268 D272 Q273 V274V266-V270 HydrophobicContact CG1-CG2 4.33Å; V266-V270 WeakPolarHBondContact O-CB 3.48Å; V266-V270 VanDerWaalsContact O-CG2 3.28Å; V266-V270 WeakPolarHBondContact O-CG2 3.31Å; V266-V270 PolarHBondContact O-N 3.37Å; L267-V270 PolarHBondContact O-N 2.85Å; T268-V270 PolarHBondContact O-N 2.83Å; V270-D272 PolarHBondContact O-N 2.59Å; V270-Q273 PolarHBondContact O-N 2.91Å; V270-V274 HydrophobicContact CG1-CG2 4.48Å; V270-V274 WeakPolarHBondContact O-CG2 3.31Å; V270-V274 PolarHBondContact O-N 2.85Å
271V93.3Very high90.9Very high65 Ų65101.1 Ų101.139%0.39451%0.514SS..Hα-helixtrans-62.8-42.7177.2169.20000111.1L267 T268 V274 R275L267-V271 HydrophobicContact CD2-CG2 3.82Å; L267-V271 WeakPolarHBondContact O-CB 3.28Å; L267-V271 VanDerWaalsContact O-CG2 3.3Å; L267-V271 WeakPolarHBondContact O-CG2 3.37Å; L267-V271 PolarHBondContact O-N 3.14Å; T268-V271 PolarHBondContact O-N 2.77Å; V271-V274 PolarHBondContact O-N 3.26Å; V271-R275 WeakPolarHBondContact O-CB 3.17Å; V271-R275 PolarHBondContact O-N 2.86Å
272D93.8Very high91.8Very high75 Ų7599.9 Ų99.940%0.40151%0.51SS..Hα-helixtrans-67.3-36.8176.5-77.3-18.1000111.9T268 V270 R275 R276T268-D272 WeakPolarHBondContact O-CB 3.43Å; T268-D272 PolarHBondContact O-N 2.88Å; V270-D272 PolarHBondContact O-N 2.59Å; D272-R275 PolarHBondContact O-N 3.22Å; D272-R275 IonicContact OD1-CZ 3.55Å; D272-R275 IonicContact OD1-NH1 2.72Å; D272-R275 PolarHBondContact OD1-NH1 2.97Å; D272-R275 IonicContact OD1-NH2 3.88Å; D272-R276 WeakPolarHBondContact O-CB 3.5Å; D272-R276 PolarHBondContact O-N 3.35Å
273Q93.6Very high92.6Very high104 Ų104102 Ų10249%0.48651%0.513SS..Hα-helixtrans-65.2-44.6174.2-175.763.97.400111.6A269 V270 R275 R276 V277A269-Q273 VanDerWaalsContact O-CB 3.27Å; A269-Q273 WeakPolarHBondContact O-CB 3.42Å; A269-Q273 PolarHBondContact O-N 3.17Å; V270-Q273 PolarHBondContact O-N 2.91Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; Q273-R275 PolarHBondContact O-N 2.97Å; Q273-R276 PolarHBondContact O-N 3.28Å; Q273-V277 WeakPolarHBondContact O-CG2 3.38Å; Q273-V277 PolarHBondContact O-N 3.26Å
274V95.5Very high93Very high89 Ų8999.5 Ų99.554%0.53951%0.508SS..Hα-helixtrans-61.7-43.6174.5171.50000110.5V270 V271 R276 V277 Q278V270-V274 HydrophobicContact CG1-CG2 4.48Å; V270-V274 WeakPolarHBondContact O-CG2 3.31Å; V270-V274 PolarHBondContact O-N 2.85Å; V271-V274 PolarHBondContact O-N 3.26Å; V274-R276 VanDerWaalsContact C-N 3.33Å; V274-R276 PolarHBondContact O-N 3.07Å; V274-V277 PolarHBondContact O-N 3.46Å; V274-Q278 VanDerWaalsContact O-CB 3.28Å; V274-Q278 WeakPolarHBondContact O-CB 3.34Å; V274-Q278 PolarHBondContact O-N 3.49Å
275R95.1Very high93.5Very high142 Ų14298.8 Ų98.854%0.53650%0.502SS..Hα-helixtrans-63.1-39.5177.4-166.8-173.5-62.1131.25.3111.8V271 D272 Q273 K279V271-R275 WeakPolarHBondContact O-CB 3.17Å; V271-R275 PolarHBondContact O-N 2.86Å; D272-R275 PolarHBondContact O-N 3.22Å; D272-R275 IonicContact OD1-CZ 3.55Å; D272-R275 IonicContact OD1-NH1 2.72Å; D272-R275 PolarHBondContact OD1-NH1 2.97Å; D272-R275 IonicContact OD1-NH2 3.88Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; Q273-R275 PolarHBondContact O-N 2.97Å; R275-K279 VanDerWaalsContact O-CB 3.29Å; R275-K279 WeakPolarHBondContact O-CB 3.34Å; R275-K279 PolarHBondContact O-N 3.46Å
276R93.9Very high94.1Very high168 Ų168100.3 Ų100.363%0.63450%0.5SS*.Hα-helixtrans-63.6-50.4176.3-179.1-179170.4177.2-0.6111.3D272 Q273 V274 Q278 K279 E280D272-R276 WeakPolarHBondContact O-CB 3.5Å; D272-R276 PolarHBondContact O-N 3.35Å; Q273-R276 PolarHBondContact O-N 3.28Å; V274-R276 VanDerWaalsContact C-N 3.33Å; V274-R276 PolarHBondContact O-N 3.07Å; R276-Q278 PolarHBondContact O-N 3.43Å; R276-K279 PolarHBondContact O-N 2.91Å; R276-E280 WeakPolarHBondContact O-CB 3.04Å; R276-E280 PolarHBondContact O-N 2.81Å
277V95.6Very high94.2Very high75 Ų75101.4 Ų101.446%0.45550%0.503SS..Hα-helixtrans-63-42.2178.6174.10000111Q273 V274 K279 E280 L281Q273-V277 WeakPolarHBondContact O-CG2 3.38Å; Q273-V277 PolarHBondContact O-N 3.26Å; V274-V277 PolarHBondContact O-N 3.46Å; V277-K279 VanDerWaalsContact C-N 3.34Å; V277-K279 PolarHBondContact O-N 3.46Å; V277-E280 PolarHBondContact O-N 2.94Å; V277-L281 VanDerWaalsContact O-CB 3.31Å; V277-L281 WeakPolarHBondContact O-CB 3.38Å; V277-L281 PolarHBondContact O-N 3.39Å
278Q94.3Very high94.4Very high114 Ų11499.6 Ų99.653%0.53349%0.494SS..Hα-helixtrans-59.8-44.6175.1-177.7-176.3-1.700111.4V274 R276 L281 I282V274-Q278 VanDerWaalsContact O-CB 3.28Å; V274-Q278 WeakPolarHBondContact O-CB 3.34Å; V274-Q278 PolarHBondContact O-N 3.49Å; R276-Q278 PolarHBondContact O-N 3.43Å; Q278-L281 PolarHBondContact O-N 2.96Å; Q278-I282 HydrophobicContact CG-CD1 3.91Å; Q278-I282 WeakPolarHBondContact O-CB 3.39Å; Q278-I282 VanDerWaalsContact O-CG1 3.23Å; Q278-I282 WeakPolarHBondContact O-CG1 3.44Å; Q278-I282 PolarHBondContact O-N 3.34Å
279K95.1Very high94.7Very high118 Ų118101.9 Ų101.951%0.51350%0.503SS..Hα-helixtrans-66.4-42.5180-166.6-178.2-169-168.10111.7R275 R276 V277 I282 Y283R275-K279 VanDerWaalsContact O-CB 3.29Å; R275-K279 WeakPolarHBondContact O-CB 3.34Å; R275-K279 PolarHBondContact O-N 3.46Å; R276-K279 PolarHBondContact O-N 2.91Å; V277-K279 VanDerWaalsContact C-N 3.34Å; V277-K279 PolarHBondContact O-N 3.46Å; K279-I282 PolarHBondContact O-N 2.97Å; K279-Y283 HydrophobicContact CD-CE2 3.88Å; K279-Y283 VanDerWaalsContact CE-CE2 3.49Å; K279-Y283 VanDerWaalsContact CE-OH 3.24Å; K279-Y283 WeakPolarHBondContact CE-OH 3.25Å; K279-Y283 HydrophobicContact CG-CD2 3.92Å; K279-Y283 HydrophobicContact CG-CE2 3.45Å; K279-Y283 VanDerWaalsContact CG-CE2 3.45Å; K279-Y283 WeakPolarHBondContact O-CD2 3.27Å; K279-Y283 PolarHBondContact O-N 2.9Å
280E94.5Very high94.8Very high120 Ų120104.2 Ų104.256%0.56150%0.504SS*.Hα-helixtrans-60.9-45.7174.9-174.6170.5-177.300111.4R276 V277 I282 Y283 Q284R276-E280 WeakPolarHBondContact O-CB 3.04Å; R276-E280 PolarHBondContact O-N 2.81Å; V277-E280 PolarHBondContact O-N 2.94Å; E280-I282 PolarHBondContact O-N 3.06Å; E280-Y283 PolarHBondContact O-N 3.4Å; E280-Q284 WeakPolarHBondContact O-CB 3.03Å; E280-Q284 PolarHBondContact O-N 2.76Å
281L95.4Very high94.8Very high82 Ų82102.4 Ų102.443%0.42950%0.497SS..Hα-helixtrans-64.6-39.7178.1-169.566.9000112.5V277 Q278 Q284 H285V277-L281 VanDerWaalsContact O-CB 3.31Å; V277-L281 WeakPolarHBondContact O-CB 3.38Å; V277-L281 PolarHBondContact O-N 3.39Å; Q278-L281 PolarHBondContact O-N 2.96Å; L281-Q284 PolarHBondContact O-N 3.42Å; L281-H285 WeakPolarHBondContact CD1-NE2 3.5Å; L281-H285 WeakPolarHBondContact O-CB 3.22Å; L281-H285 PolarHBondContact O-CD2 2.68Å; L281-H285 VanDerWaalsContact O-CD2 3.27Å; L281-H285 PolarHBondContact O-N 3.46Å
282I95.8Very high94.9Very high93 Ų93104.5 Ų104.548%0.47751%0.505SS..Hα-helixtrans-62.4-46174.8-72.3166.6000110.5Q278 K279 E280 Q286Q278-I282 HydrophobicContact CG-CD1 3.91Å; Q278-I282 WeakPolarHBondContact O-CB 3.39Å; Q278-I282 VanDerWaalsContact O-CG1 3.23Å; Q278-I282 WeakPolarHBondContact O-CG1 3.44Å; Q278-I282 PolarHBondContact O-N 3.34Å; K279-I282 PolarHBondContact O-N 2.97Å; E280-I282 PolarHBondContact O-N 3.06Å; I282-Q286 VanDerWaalsContact O-CB 3.25Å; I282-Q286 WeakPolarHBondContact O-CB 2.88Å; I282-Q286 PolarHBondContact O-N 2.95Å
283Y94.2Very high95Very high132 Ų132109.7 Ų109.752%0.51852%0.519SS..Hα-helixtrans-65.9-40.9178.5-73.3-53.4000112.4K279 E280 Q286 D287K279-Y283 HydrophobicContact CD-CE2 3.88Å; K279-Y283 VanDerWaalsContact CE-CE2 3.49Å; K279-Y283 VanDerWaalsContact CE-OH 3.24Å; K279-Y283 WeakPolarHBondContact CE-OH 3.25Å; K279-Y283 HydrophobicContact CG-CD2 3.92Å; K279-Y283 HydrophobicContact CG-CE2 3.45Å; K279-Y283 VanDerWaalsContact CG-CE2 3.45Å; K279-Y283 WeakPolarHBondContact O-CD2 3.27Å; K279-Y283 PolarHBondContact O-N 2.9Å; E280-Y283 PolarHBondContact O-N 3.4Å; Y283-Q286 PolarHBondContact O-N 2.77Å; Y283-D287 PolarHBondContact O-N 2.83Å
284Q95.2Very high95Very high108 Ų108110.3 Ų110.351%0.50552%0.522SS..Hα-helixtrans-60.8-50176.5-174.4178.57.200111.3E280 L281 Q286 D287 D288E280-Q284 WeakPolarHBondContact O-CB 3.03Å; E280-Q284 PolarHBondContact O-N 2.76Å; L281-Q284 PolarHBondContact O-N 3.42Å; Q284-Q286 VanDerWaalsContact C-N 3.3Å; Q284-Q286 PolarHBondContact O-N 2.84Å; Q284-D287 PolarHBondContact O-N 2.81Å; Q284-D288 PolarHBondContact O-N 2.86Å
285H95.5Very high95Very high97 Ų97110.2 Ų110.245%0.44952%0.522SS..Hα-helixtrans-66-32.1178-70.4-36.4000113.1L281 L289L281-H285 WeakPolarHBondContact CD1-NE2 3.5Å; L281-H285 WeakPolarHBondContact O-CB 3.22Å; L281-H285 PolarHBondContact O-CD2 2.68Å; L281-H285 VanDerWaalsContact O-CD2 3.27Å; L281-H285 PolarHBondContact O-N 3.46Å; H285-L289 WeakPolarHBondContact O-CB 3.13Å; H285-L289 VanDerWaalsContact O-CG 3.23Å; H285-L289 WeakPolarHBondContact O-CG 3.33Å; H285-L289 PolarHBondContact O-N 3.25Å
286Q95.6Very high95Very high110 Ų110109.8 Ų109.851%0.51453%0.526SS..Hα-helixtrans-65.9-41.3174.6-174.6174.71.600111.5I282 Y283 Q284 Q290I282-Q286 VanDerWaalsContact O-CB 3.25Å; I282-Q286 WeakPolarHBondContact O-CB 2.88Å; I282-Q286 PolarHBondContact O-N 2.95Å; Y283-Q286 PolarHBondContact O-N 2.77Å; Q284-Q286 VanDerWaalsContact C-N 3.3Å; Q284-Q286 PolarHBondContact O-N 2.84Å; Q286-Q290 WeakPolarHBondContact O-CB 3.21Å; Q286-Q290 PolarHBondContact O-N 2.75Å
287D94.2Very high95Very high109 Ų109105.9 Ų105.958%0.58352%0.521SS*.Hα-helixtrans-67.7-44.5176.4-161.342.3000111.5Y283 Q284 L289 Q290 A291Y283-D287 PolarHBondContact O-N 2.83Å; Q284-D287 PolarHBondContact O-N 2.81Å; D287-L289 PolarHBondContact O-N 2.85Å; D287-Q290 PolarHBondContact O-N 3.08Å; D287-Q290 VanDerWaalsContact O-N 3.14Å; D287-A291 WeakPolarHBondContact O-CB 2.97Å; D287-A291 PolarHBondContact O-N 3.5Å
288D95.2Very high94.9Very high74 Ų74104.1 Ų104.140%0.39652%0.517SS..Hα-helixtrans-58.6-45.6175-72.5-20.6000111.9Q284 Q290 A291 I292Q284-D288 PolarHBondContact O-N 2.86Å; D288-Q290 VanDerWaalsContact C-N 3.31Å; D288-Q290 PolarHBondContact O-N 3.18Å; D288-A291 PolarHBondContact O-N 3.47Å; D288-I292 VanDerWaalsContact O-CG1 3.28Å; D288-I292 WeakPolarHBondContact O-CG1 3.38Å; D288-I292 PolarHBondContact O-N 2.88Å
289L95.9Very high94.9Very high123 Ų123104.7 Ų104.764%0.64452%0.524SS*.Hα-helixtrans-63.3-38.2176.9-76.7174.8000111.9H285 D287 R293H285-L289 WeakPolarHBondContact O-CB 3.13Å; H285-L289 VanDerWaalsContact O-CG 3.23Å; H285-L289 WeakPolarHBondContact O-CG 3.33Å; H285-L289 PolarHBondContact O-N 3.25Å; D287-L289 PolarHBondContact O-N 2.85Å; L289-R293 VanDerWaalsContact O-CB 3.26Å; L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.5Å
290Q95.1Very high95Very high107 Ų107106.5 Ų106.550%0.553%0.532SS..Hα-helixtrans-67-42.7176.2-178.5167.9-23.800111.2Q286 D287 D288 R293 Q294Q286-Q290 WeakPolarHBondContact O-CB 3.21Å; Q286-Q290 PolarHBondContact O-N 2.75Å; D287-Q290 PolarHBondContact O-N 3.08Å; D287-Q290 VanDerWaalsContact O-N 3.14Å; D288-Q290 VanDerWaalsContact C-N 3.31Å; D288-Q290 PolarHBondContact O-N 3.18Å; Q290-R293 PolarHBondContact O-N 2.89Å; Q290-Q294 VanDerWaalsContact O-CG 3.32Å; Q290-Q294 WeakPolarHBondContact O-CG 3.32Å; Q290-Q294 PolarHBondContact O-N 3.43Å
291A94.6Very high94.9Very high46 Ų46103 Ų10338%0.3852%0.521SS..Hα-helixtrans-63.1-43.8176.100000112.4D287 D288 Q294 T295D287-A291 WeakPolarHBondContact O-CB 2.97Å; D287-A291 PolarHBondContact O-N 3.5Å; D288-A291 PolarHBondContact O-N 3.47Å; A291-Q294 PolarHBondContact O-N 2.75Å; A291-T295 PolarHBondContact O-N 2.75Å; A291-T295 PolarHBondContact O-OG1 2.95Å
292I95.5Very high94.9Very high109 Ų109100.3 Ų100.356%0.55951%0.512SS*.Hα-helixtrans-63.6-44.2175.6-67.8166.1000110.4D288 Q294 T295 Q296D288-I292 VanDerWaalsContact O-CG1 3.28Å; D288-I292 WeakPolarHBondContact O-CG1 3.38Å; D288-I292 PolarHBondContact O-N 2.88Å; I292-Q294 VanDerWaalsContact C-N 3.34Å; I292-Q294 PolarHBondContact O-N 3Å; I292-T295 WeakPolarHBondContact O-CB 3.42Å; I292-T295 PolarHBondContact O-N 3.33Å; I292-T295 VanDerWaalsContact O-N 3.15Å; I292-Q296 WeakPolarHBondContact O-CB 3.46Å; I292-Q296 PolarHBondContact O-N 3.43Å
293R95.2Very high94.9Very high184 Ų18497.8 Ų97.869%0.69451%0.51SS*.Hα-helixtrans-62.9-40.7179-171.1176.6-177.5166.41.2111.9L289 Q290 T295 Q296 T297L289-R293 VanDerWaalsContact O-CB 3.26Å; L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.5Å; Q290-R293 PolarHBondContact O-N 2.89Å; R293-T295 VanDerWaalsContact C-N 3.34Å; R293-Q296 PolarHBondContact O-N 3.29Å; R293-T297 WeakPolarHBondContact O-CG2 3.4Å; R293-T297 PolarHBondContact O-N 3.43Å; R293-T297 PolarHBondContact O-OG1 3.37Å
294Q94.5Very high95Very high116 Ų11697.7 Ų97.754%0.54251%0.514SS..Hα-helixtrans-63.4-40.2173.4-72.9177.821.100112Q290 A291 I292 T297 G298Q290-Q294 VanDerWaalsContact O-CG 3.32Å; Q290-Q294 WeakPolarHBondContact O-CG 3.32Å; Q290-Q294 PolarHBondContact O-N 3.43Å; A291-Q294 PolarHBondContact O-N 2.75Å; I292-Q294 VanDerWaalsContact C-N 3.34Å; I292-Q294 PolarHBondContact O-N 3Å; Q294-T297 PolarHBondContact O-N 3.37Å; Q294-T297 PolarHBondContact O-OG1 2.93Å; Q294-G298 PolarHBondContact O-N 2.69Å
295T94.9Very high95Very high88 Ų8899.1 Ų99.154%0.5452%0.519SS..Hα-helixtrans-65-42.3176.2-56.70000111.1A291 I292 R293 G298 L299A291-T295 PolarHBondContact O-N 2.75Å; A291-T295 PolarHBondContact O-OG1 2.95Å; I292-T295 WeakPolarHBondContact O-CB 3.42Å; I292-T295 PolarHBondContact O-N 3.33Å; I292-T295 VanDerWaalsContact O-N 3.15Å; R293-T295 VanDerWaalsContact C-N 3.34Å; T295-G298 PolarHBondContact O-N 2.9Å; T295-L299 HydrophobicContact CG2-CD1 4.08Å; T295-L299 HydrophobicContact CG2-CG 4.39Å; T295-L299 WeakPolarHBondContact O-CB 3.42Å; T295-L299 WeakPolarHBondContact O-CG 3.44Å; T295-L299 PolarHBondContact O-N 3.13Å
296Q94.4Very high95Very high133 Ų13399.5 Ų99.562%0.62152%0.523SS*.Hα-helixtrans-61.9-45.5177.1-175-175.71.400112I292 R293 L299 F300I292-Q296 WeakPolarHBondContact O-CB 3.46Å; I292-Q296 PolarHBondContact O-N 3.43Å; R293-Q296 PolarHBondContact O-N 3.29Å; Q296-L299 PolarHBondContact O-N 2.9Å; Q296-F300 WeakPolarHBondContact O-CB 3.4Å; Q296-F300 PolarHBondContact O-N 2.92Å
297T95.3Very high95Very high86 Ų8699.3 Ų99.353%0.52852%0.522SS..Hα-helixtrans-67.1-3917755.70000111.5R293 Q294 F300 S301R293-T297 WeakPolarHBondContact O-CG2 3.4Å; R293-T297 PolarHBondContact O-N 3.43Å; R293-T297 PolarHBondContact O-OG1 3.37Å; Q294-T297 PolarHBondContact O-N 3.37Å; Q294-T297 PolarHBondContact O-OG1 2.93Å; T297-F300 PolarHBondContact O-N 3.39Å; T297-S301 WeakPolarHBondContact O-CB 3.37Å; T297-S301 PolarHBondContact O-N 2.74Å; T297-S301 PolarHBondContact O-OG 2.69Å
298G93.2Very high95.1Very high37 Ų37100.7 Ų100.738%0.38153%0.525SS..Hα-helixtrans-57.7-51172.800000112.3Q294 T295 S301 G302Q294-G298 PolarHBondContact O-N 2.69Å; T295-G298 PolarHBondContact O-N 2.9Å; G298-S301 PolarHBondContact O-N 3.49Å; G298-S301 PolarHBondContact O-OG 3.33Å; G298-G302 PolarHBondContact O-N 3.06Å
299L94.5Very high95.1Very high126 Ų126103.2 Ų103.266%0.6654%0.536SS*.Hα-helixtrans-63.2-41.3177.7-72.9173.4000112.5T295 Q296 G302 G303T295-L299 HydrophobicContact CG2-CD1 4.08Å; T295-L299 HydrophobicContact CG2-CG 4.39Å; T295-L299 WeakPolarHBondContact O-CB 3.42Å; T295-L299 WeakPolarHBondContact O-CG 3.44Å; T295-L299 PolarHBondContact O-N 3.13Å; Q296-L299 PolarHBondContact O-N 2.9Å; L299-G302 PolarHBondContact O-N 2.93Å; L299-G303 PolarHBondContact O-N 3.08Å
300F95.7Very high95.2Very high156 Ų156101.6 Ų101.668%0.68453%0.527SS*.Hα-helixtrans-63.6-43.7176.5-169.9-94.9000111.6Q296 T297 G302 G303 Q304Q296-F300 WeakPolarHBondContact O-CB 3.4Å; Q296-F300 PolarHBondContact O-N 2.92Å; T297-F300 PolarHBondContact O-N 3.39Å; F300-G302 VanDerWaalsContact C-N 3.33Å; F300-G302 PolarHBondContact O-N 2.89Å; F300-G303 PolarHBondContact O-N 3.43Å; F300-Q304 PolarHBondContact O-N 2.88Å
301S93.7Very high95.3Very high47 Ų47101 Ų10133%0.32953%0.527SS..Hα-helixtrans-64.2-37.7175.179.70000112.4T297 G298 Q304 K305T297-S301 WeakPolarHBondContact O-CB 3.37Å; T297-S301 PolarHBondContact O-N 2.74Å; T297-S301 PolarHBondContact O-OG 2.69Å; G298-S301 PolarHBondContact O-N 3.49Å; G298-S301 PolarHBondContact O-OG 3.33Å; S301-Q304 PolarHBondContact O-N 3.06Å; S301-K305 VanDerWaalsContact O-CG 3.31Å; S301-K305 WeakPolarHBondContact O-CG 3.36Å; S301-K305 PolarHBondContact O-N 3.39Å
302G95Very high95.4Very high25 Ų25104.7 Ų104.726%0.25854%0.535SS..Hα-helixtrans-64.9-44.8174.600000111.9G298 L299 F300 Q304 K305 I306G298-G302 PolarHBondContact O-N 3.06Å; L299-G302 PolarHBondContact O-N 2.93Å; F300-G302 VanDerWaalsContact C-N 3.33Å; F300-G302 PolarHBondContact O-N 2.89Å; G302-Q304 PolarHBondContact O-N 3.33Å; G302-K305 PolarHBondContact O-N 3.48Å; G302-I306 VanDerWaalsContact O-CG1 3.32Å; G302-I306 WeakPolarHBondContact O-CG1 3.35Å; G302-I306 PolarHBondContact O-N 3.07Å
303G95.8Very high95.4Very high41 Ų41105.4 Ų105.442%0.42354%0.537SS..Hα-helixtrans-60.4-43.8175.300000112.5L299 F300 I306 Q307L299-G303 PolarHBondContact O-N 3.08Å; F300-G303 PolarHBondContact O-N 3.43Å; G303-I306 PolarHBondContact O-N 3.12Å; G303-Q307 WeakPolarHBondContact O-CB 3.4Å; G303-Q307 PolarHBondContact O-N 3.27Å
304Q95.3Very high95.4Very high130 Ų130101 Ų10161%0.60752%0.524SS*.Hα-helixtrans-62.7-43.3176-171177.85700112.1F300 S301 G302 Q307 E308F300-Q304 PolarHBondContact O-N 2.88Å; S301-Q304 PolarHBondContact O-N 3.06Å; G302-Q304 PolarHBondContact O-N 3.33Å; Q304-Q307 PolarHBondContact O-N 3.33Å; Q304-E308 PolarHBondContact O-N 3.08Å
305K95.9Very high95.5Very high138 Ų138102.2 Ų102.260%0.653%0.53SS*.Hα-helixtrans-62.9-42.3176.2-74.5172.8-177.4176.30112.5S301 G302 Q307 E308 M309S301-K305 VanDerWaalsContact O-CG 3.31Å; S301-K305 WeakPolarHBondContact O-CG 3.36Å; S301-K305 PolarHBondContact O-N 3.39Å; G302-K305 PolarHBondContact O-N 3.48Å; K305-Q307 VanDerWaalsContact C-N 3.34Å; K305-E308 PolarHBondContact O-N 3.18Å; K305-M309 WeakPolarHBondContact O-CB 3.47Å; K305-M309 PolarHBondContact O-N 2.93Å
306I96.4Very high95.5Very high105 Ų105102.9 Ų102.954%0.53853%0.527SS..Hα-helixtrans-64.1-43176.9-69166.9000109.9G302 G303 E308 M309 I310G302-I306 VanDerWaalsContact O-CG1 3.32Å; G302-I306 WeakPolarHBondContact O-CG1 3.35Å; G302-I306 PolarHBondContact O-N 3.07Å; G303-I306 PolarHBondContact O-N 3.12Å; I306-E308 VanDerWaalsContact C-N 3.34Å; I306-E308 PolarHBondContact O-N 2.86Å; I306-M309 PolarHBondContact O-N 2.58Å; I306-I310 HydrophobicContact CG2-CD1 3.77Å; I306-I310 HydrophobicContact CG2-CG1 4.31Å; I306-I310 VanDerWaalsContact O-CG1 3.3Å; I306-I310 WeakPolarHBondContact O-CG1 3.49Å; I306-I310 PolarHBondContact O-N 3.2Å
307Q95.7Very high95.6Very high105 Ų105102.3 Ų102.349%0.49152%0.522SS..Hα-helixtrans-62.1-41.6177.1-169.462.250.300112.1G303 Q304 K305 I310 N311G303-Q307 WeakPolarHBondContact O-CB 3.4Å; G303-Q307 PolarHBondContact O-N 3.27Å; Q304-Q307 PolarHBondContact O-N 3.33Å; K305-Q307 VanDerWaalsContact C-N 3.34Å; Q307-I310 PolarHBondContact O-N 2.86Å; Q307-N311 PolarHBondContact NE2-OD1 2.96Å; Q307-N311 WeakPolarHBondContact O-CB 3.13Å; Q307-N311 PolarHBondContact O-N 2.87Å; Q307-N311 PolarHBondContact O-ND2 3.27Å; Q307-N311 PolarHBondContact O-OD1 3.28Å
308E96Very high95.7Very high139 Ų139102.1 Ų102.165%0.6552%0.518SS*.Hα-helixtrans-63.4-41.8175-166.3177.1-166.200111.6Q304 K305 I306 N311 K312Q304-E308 PolarHBondContact O-N 3.08Å; K305-E308 PolarHBondContact O-N 3.18Å; I306-E308 VanDerWaalsContact C-N 3.34Å; I306-E308 PolarHBondContact O-N 2.86Å; E308-N311 PolarHBondContact O-N 3.43Å; E308-K312 WeakPolarHBondContact O-CB 3.38Å; E308-K312 PolarHBondContact O-N 3.05Å
309M95.2Very high95.8Very high126 Ų126107.6 Ų107.662%0.62153%0.528SS*.Hα-helixtrans-65.7-40.5176-169.4178.6-64.400112.5K305 I306 K312 M313K305-M309 WeakPolarHBondContact O-CB 3.47Å; K305-M309 PolarHBondContact O-N 2.93Å; I306-M309 PolarHBondContact O-N 2.58Å; M309-K312 PolarHBondContact O-N 3.38Å; M309-M313 WeakPolarHBondContact O-CB 3.3Å; M309-M313 PolarHBondContact O-N 2.82Å
310I97Very high95.9Very high89 Ų89105.6 Ų105.646%0.45652%0.52SS..Hα-helixtrans-61.9-46.9174.8-72.1169000110.2I306 Q307 K312 M313 Q314I306-I310 HydrophobicContact CG2-CD1 3.77Å; I306-I310 HydrophobicContact CG2-CG1 4.31Å; I306-I310 VanDerWaalsContact O-CG1 3.3Å; I306-I310 WeakPolarHBondContact O-CG1 3.49Å; I306-I310 PolarHBondContact O-N 3.2Å; Q307-I310 PolarHBondContact O-N 2.86Å; I310-K312 VanDerWaalsContact C-N 3.32Å; I310-K312 PolarHBondContact O-N 3.46Å; I310-M313 PolarHBondContact O-N 2.94Å; I310-Q314 WeakPolarHBondContact O-CB 3.39Å; I310-Q314 PolarHBondContact O-N 2.98Å
311N96.6Very high95.9Very high96 Ų96101.1 Ų101.151%0.51351%0.507SS..Hα-helixtrans-61.5-41.8178.3-69.2-10.7000111.4Q307 E308 Q314 Q315Q307-N311 PolarHBondContact NE2-OD1 2.96Å; Q307-N311 WeakPolarHBondContact O-CB 3.13Å; Q307-N311 PolarHBondContact O-N 2.87Å; Q307-N311 PolarHBondContact O-ND2 3.27Å; Q307-N311 PolarHBondContact O-OD1 3.28Å; E308-N311 PolarHBondContact O-N 3.43Å; N311-Q314 PolarHBondContact O-N 3.26Å; N311-Q315 PolarHBondContact O-N 3.07Å
312K96.9Very high96Very high123 Ų123103 Ų10354%0.53552%0.517SS..Hα-helixtrans-63.9-44175.7-173-177.7176-170.10112.1E308 M309 I310 Q314 Q315 E316E308-K312 WeakPolarHBondContact O-CB 3.38Å; E308-K312 PolarHBondContact O-N 3.05Å; M309-K312 PolarHBondContact O-N 3.38Å; I310-K312 VanDerWaalsContact C-N 3.32Å; I310-K312 PolarHBondContact O-N 3.46Å; K312-Q314 VanDerWaalsContact C-N 3.32Å; K312-Q314 PolarHBondContact O-N 3.45Å; K312-Q315 WeakPolarHBondContact O-CB 3.29Å; K312-Q315 PolarHBondContact O-N 2.8Å; K312-E316 WeakPolarHBondContact CE-OE1 3.41Å; K312-E316 PolarHBondContact O-N 2.82Å
313M96Very high95.9Very high123 Ų123105.9 Ų105.961%0.60652%0.524SS*.Hα-helixtrans-64.4-37.9178.3-170-178.2-6000111.7M309 I310 E316 K317M309-M313 WeakPolarHBondContact O-CB 3.3Å; M309-M313 PolarHBondContact O-N 2.82Å; I310-M313 PolarHBondContact O-N 2.94Å; M313-E316 PolarHBondContact O-N 3.02Å; M313-K317 WeakPolarHBondContact O-CB 3.26Å; M313-K317 PolarHBondContact O-N 3.13Å
314Q96Very high95.9Very high92 Ų92108.8 Ų108.843%0.4353%0.528SS..Hα-helixtrans-64.4-43174.4-173.660.43300111.4I310 N311 K312 K317 D318I310-Q314 WeakPolarHBondContact O-CB 3.39Å; I310-Q314 PolarHBondContact O-N 2.98Å; N311-Q314 PolarHBondContact O-N 3.26Å; K312-Q314 VanDerWaalsContact C-N 3.32Å; K312-Q314 PolarHBondContact O-N 3.45Å; Q314-K317 WeakPolarHBondContact O-CB 3.48Å; Q314-K317 PolarHBondContact O-N 3.41Å; Q314-D318 PolarHBondContact NE2-OD1 2.78Å; Q314-D318 VanDerWaalsContact O-CG 3.27Å; Q314-D318 PolarHBondContact O-N 3.37Å
315Q96.5Very high95.9Very high141 Ų141108.6 Ų108.666%0.65953%0.527SS*.Hα-helixtrans-62.7-42.7174.4-173.5-177.925.500112.4N311 K312 D318 R319N311-Q315 PolarHBondContact O-N 3.07Å; K312-Q315 WeakPolarHBondContact O-CB 3.29Å; K312-Q315 PolarHBondContact O-N 2.8Å; Q315-D318 PolarHBondContact O-N 3.3Å; Q315-R319 WeakPolarHBondContact O-CB 3.43Å; Q315-R319 PolarHBondContact O-N 2.85Å
316E95.3Very high95.9Very high102 Ų102104.7 Ų104.748%0.47752%0.517SS..Hα-helixtrans-64.6-40.1176.4-75.5-178.8169.600111.6K312 M313 R319 V320K312-E316 WeakPolarHBondContact CE-OE1 3.41Å; K312-E316 PolarHBondContact O-N 2.82Å; M313-E316 PolarHBondContact O-N 3.02Å; E316-R319 PolarHBondContact O-N 2.92Å; E316-V320 WeakPolarHBondContact O-CG2 3.37Å; E316-V320 PolarHBondContact O-N 2.87Å
317K96.2Very high95.8Very high121 Ų121103.3 Ų103.353%0.52651%0.513SS..Hα-helixtrans-58.2-51.3172.8175.6-172.5170.4176.50111.3M313 Q314 R319 V320 C321M313-K317 WeakPolarHBondContact O-CB 3.26Å; M313-K317 PolarHBondContact O-N 3.13Å; Q314-K317 WeakPolarHBondContact O-CB 3.48Å; Q314-K317 PolarHBondContact O-N 3.41Å; K317-R319 VanDerWaalsContact C-N 3.31Å; K317-R319 PolarHBondContact O-N 2.87Å; K317-V320 PolarHBondContact O-N 3.49Å; K317-C321 PolarHBondContact O-N 2.8Å; K317-C321 PolarHBondContact O-SG 3.33Å; K317-C321 VanDerWaalsContact O-SG 3.4Å
318D96.2Very high95.8Very high82 Ų82104.9 Ų104.944%0.43952%0.518SS..Hα-helixtrans-62.7-40.6-178-65.5-21.6000110.9Q314 Q315 C321 T322Q314-D318 PolarHBondContact NE2-OD1 2.78Å; Q314-D318 VanDerWaalsContact O-CG 3.27Å; Q314-D318 PolarHBondContact O-N 3.37Å; Q315-D318 PolarHBondContact O-N 3.3Å; D318-C321 PolarHBondContact O-N 2.93Å; D318-T322 WeakPolarHBondContact O-CG2 3.5Å; D318-T322 PolarHBondContact O-N 2.95Å
319R96.2Very high95.8Very high153 Ų153106.2 Ų106.258%0.57752%0.517SS*.Hα-helixtrans-58.9-51.2173.3-179.4-176.5164.5-148.7-11.9112Q315 E316 K317 C321 T322 E323Q315-R319 WeakPolarHBondContact O-CB 3.43Å; Q315-R319 PolarHBondContact O-N 2.85Å; E316-R319 PolarHBondContact O-N 2.92Å; K317-R319 VanDerWaalsContact C-N 3.31Å; K317-R319 PolarHBondContact O-N 2.87Å; R319-C321 VanDerWaalsContact C-N 3.29Å; R319-C321 PolarHBondContact O-N 2.91Å; R319-T322 PolarHBondContact O-N 3.44Å; R319-T322 VanDerWaalsContact O-N 3.16Å; R319-T322 PolarHBondContact O-OG1 2.91Å; R319-E323 IonicContact CZ-OE1 3.27Å; R319-E323 VanDerWaalsContact CZ-OE1 3.27Å; R319-E323 IonicContact NE-OE1 2.8Å; R319-E323 PolarHBondContact NE-OE1 2.87Å; R319-E323 IonicContact NH2-OE1 2.68Å; R319-E323 PolarHBondContact NH2-OE1 3.43Å; R319-E323 IonicContact NH2-OE2 3.63Å; R319-E323 PolarHBondContact O-N 3.32Å
320V95.5Very high95.8Very high84 Ų84106.4 Ų106.451%0.50952%0.515SS..Hα-helixtrans-61.8-38.4179.8171.10000111.2E316 K317 E323 M324E316-V320 WeakPolarHBondContact O-CG2 3.37Å; E316-V320 PolarHBondContact O-N 2.87Å; K317-V320 PolarHBondContact O-N 3.49Å; V320-E323 PolarHBondContact O-N 3.45Å; V320-M324 VanDerWaalsContact O-CB 3.23Å; V320-M324 WeakPolarHBondContact O-CB 3.44Å; V320-M324 PolarHBondContact O-N 2.92Å
321C95.7Very high95.7Very high61 Ų61106.2 Ų106.241%0.41251%0.514SS..Hα-helixtrans-59.8-46.3173.7-74.40000112K317 D318 R319 M324 E325K317-C321 PolarHBondContact O-N 2.8Å; K317-C321 PolarHBondContact O-SG 3.33Å; K317-C321 VanDerWaalsContact O-SG 3.4Å; D318-C321 PolarHBondContact O-N 2.93Å; R319-C321 VanDerWaalsContact C-N 3.29Å; R319-C321 PolarHBondContact O-N 2.91Å; C321-M324 PolarHBondContact O-N 3.1Å; C321-E325 WeakPolarHBondContact O-CG 3.4Å; C321-E325 PolarHBondContact O-N 3.47Å
322T95.5Very high95.7Very high87 Ų87108.3 Ų108.353%0.53452%0.518SS..Hα-helixtrans-65.2-40.3177.560.80000113.2D318 R319 E325 S326D318-T322 WeakPolarHBondContact O-CG2 3.5Å; D318-T322 PolarHBondContact O-N 2.95Å; R319-T322 PolarHBondContact O-N 3.44Å; R319-T322 VanDerWaalsContact O-N 3.16Å; R319-T322 PolarHBondContact O-OG1 2.91Å; T322-E325 PolarHBondContact O-N 3.46Å; T322-S326 WeakPolarHBondContact O-CB 3.3Å; T322-S326 PolarHBondContact O-N 2.78Å
323E94.8Very high95.5Very high86 Ų86106.2 Ų106.240%0.40251%0.513SS..Hα-helixtrans-65.9-41.2176.5-72.1179.8-174.200111R319 V320 E325 S326 V327R319-E323 IonicContact CZ-OE1 3.27Å; R319-E323 VanDerWaalsContact CZ-OE1 3.27Å; R319-E323 IonicContact NE-OE1 2.8Å; R319-E323 PolarHBondContact NE-OE1 2.87Å; R319-E323 IonicContact NH2-OE1 2.68Å; R319-E323 PolarHBondContact NH2-OE1 3.43Å; R319-E323 IonicContact NH2-OE2 3.63Å; R319-E323 PolarHBondContact O-N 3.32Å; V320-E323 PolarHBondContact O-N 3.45Å; E323-E325 PolarHBondContact O-N 2.8Å; E323-S326 WeakPolarHBondContact O-CB 3.49Å; E323-S326 PolarHBondContact O-N 3.44Å; E323-V327 WeakPolarHBondContact O-CG2 3.28Å; E323-V327 PolarHBondContact O-N 2.84Å
324M94.8Very high95.2Very high101 Ų101106.1 Ų106.150%0.49851%0.514SS..Hα-helixtrans-61.3-43.4175.5179.564.971.900112V320 C321 V327 K328V320-M324 VanDerWaalsContact O-CB 3.23Å; V320-M324 WeakPolarHBondContact O-CB 3.44Å; V320-M324 PolarHBondContact O-N 2.92Å; C321-M324 PolarHBondContact O-N 3.1Å; M324-V327 PolarHBondContact O-N 3.18Å; M324-K328 WeakPolarHBondContact O-CB 3.39Å; M324-K328 WeakPolarHBondContact O-CG 3.47Å; M324-K328 PolarHBondContact O-N 3.07Å
325E96.1Very high95.1Very high126 Ų126106.8 Ų106.859%0.58952%0.518SS*.Hα-helixtrans-64.4-39.6175.5-74-179.6-179.500112.3C321 T322 E323 K328 R329C321-E325 WeakPolarHBondContact O-CG 3.4Å; C321-E325 PolarHBondContact O-N 3.47Å; T322-E325 PolarHBondContact O-N 3.46Å; E323-E325 PolarHBondContact O-N 2.8Å; E325-K328 PolarHBondContact O-N 2.81Å; E325-R329 WeakPolarHBondContact O-CB 3.47Å; E325-R329 PolarHBondContact O-N 3.02Å
326S94.3Very high94.9Very high56 Ų56104.4 Ų104.439%0.39251%0.506SS..Hα-helixtrans-62.9-45.9175.4-178.10000112.1T322 E323 R329 K330T322-S326 WeakPolarHBondContact O-CB 3.3Å; T322-S326 PolarHBondContact O-N 2.78Å; E323-S326 WeakPolarHBondContact O-CB 3.49Å; E323-S326 PolarHBondContact O-N 3.44Å; S326-R329 PolarHBondContact O-N 2.94Å; S326-K330 WeakPolarHBondContact O-CG 3.45Å; S326-K330 PolarHBondContact O-N 3.22Å
327V94.6Very high94.4Very high76 Ų76102.9 Ų102.946%0.46150%0.504SS..Hα-helixtrans-63.9-44.7176.5171.50000111E323 M324 R329 K330 I331E323-V327 WeakPolarHBondContact O-CG2 3.28Å; E323-V327 PolarHBondContact O-N 2.84Å; M324-V327 PolarHBondContact O-N 3.18Å; V327-R329 VanDerWaalsContact C-N 3.29Å; V327-R329 PolarHBondContact O-N 3.06Å; V327-K330 PolarHBondContact O-N 2.91Å; V327-I331 HydrophobicContact CG1-CD1 3.8Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 WeakPolarHBondContact O-CG1 3.29Å; V327-I331 PolarHBondContact O-N 3.37Å
328K96.4Very high93.9Very high138 Ų13899.8 Ų99.860%0.650%0.498SS*.Hα-helixtrans-58.5-39.9174.9-78.6-178.4178.8-178.50112.4M324 E325 K332M324-K328 WeakPolarHBondContact O-CB 3.39Å; M324-K328 WeakPolarHBondContact O-CG 3.47Å; M324-K328 PolarHBondContact O-N 3.07Å; E325-K328 PolarHBondContact O-N 2.81Å; K328-K332 PolarHBondContact O-N 3.4Å; K328-K332 VanDerWaalsContact O-N 3.08Å
329R95.8Very high93.4Very high167 Ų167102.2 Ų102.263%0.6350%0.504SS*.Hα-helixtrans-63.6-48.9175.2-167-178.3-60.2172.72.4111.4E325 S326 V327 I331 K332 D333E325-R329 WeakPolarHBondContact O-CB 3.47Å; E325-R329 PolarHBondContact O-N 3.02Å; S326-R329 PolarHBondContact O-N 2.94Å; V327-R329 VanDerWaalsContact C-N 3.29Å; V327-R329 PolarHBondContact O-N 3.06Å; R329-I331 VanDerWaalsContact C-N 3.33Å; R329-I331 PolarHBondContact O-N 3.17Å; R329-K332 WeakPolarHBondContact O-CB 3.41Å; R329-K332 PolarHBondContact O-N 3.18Å; R329-K332 VanDerWaalsContact O-N 3.13Å; R329-D333 VanDerWaalsContact O-CG 3.26Å; R329-D333 PolarHBondContact O-N 2.76Å
330K95.4Very high92.9Very high130 Ų130100.5 Ų100.557%0.56550%0.501SS*.Hα-helixtrans-60.1-40.2177.1-72.3-179.9-179.3-177.60112.9S326 V327 D333 L334S326-K330 WeakPolarHBondContact O-CG 3.45Å; S326-K330 PolarHBondContact O-N 3.22Å; V327-K330 PolarHBondContact O-N 2.91Å; K330-D333 PolarHBondContact O-N 2.92Å; K330-L334 WeakPolarHBondContact O-CB 3.12Å; K330-L334 VanDerWaalsContact O-CG 3.31Å; K330-L334 WeakPolarHBondContact O-CG 3.25Å; K330-L334 PolarHBondContact O-N 2.91Å
331I94.8Very high91.9Very high85 Ų85100.5 Ų100.544%0.43650%0.498SS..Hα-helixtrans-61.1-46.9175-70.4169.2000110V327 R329 D333 L334 E335V327-I331 HydrophobicContact CG1-CD1 3.8Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 WeakPolarHBondContact O-CG1 3.29Å; V327-I331 PolarHBondContact O-N 3.37Å; R329-I331 VanDerWaalsContact C-N 3.33Å; R329-I331 PolarHBondContact O-N 3.17Å; I331-D333 VanDerWaalsContact C-N 3.35Å; I331-D333 PolarHBondContact O-N 3.48Å; I331-L334 PolarHBondContact O-N 3.48Å; I331-E335 HydrophobicContact CG2-CG 4.42Å; I331-E335 WeakPolarHBondContact O-CB 3.25Å; I331-E335 WeakPolarHBondContact O-CG 3.48Å; I331-E335 PolarHBondContact O-N 3.45Å
332K95.8Very high91.2Very high140 Ų140106.5 Ų106.561%0.60951%0.512SS*.Hα-helixtrans-59.9-43.6177.1-173.2-176.4176.5-173.80112.1K328 R329 E335 E336K328-K332 PolarHBondContact O-N 3.4Å; K328-K332 VanDerWaalsContact O-N 3.08Å; R329-K332 WeakPolarHBondContact O-CB 3.41Å; R329-K332 PolarHBondContact O-N 3.18Å; R329-K332 VanDerWaalsContact O-N 3.13Å; K332-E335 PolarHBondContact O-N 2.98Å; K332-E336 WeakPolarHBondContact O-CB 3.21Å; K332-E336 PolarHBondContact O-N 3.37Å
333D92.9Very high90.4Very high79 Ų79111.1 Ų111.142%0.42252%0.524SS..Hα-helixtrans-65.7-39.9178.8-63-17.9000111.5R329 K330 I331 E336 T337R329-D333 VanDerWaalsContact O-CG 3.26Å; R329-D333 PolarHBondContact O-N 2.76Å; K330-D333 PolarHBondContact O-N 2.92Å; I331-D333 VanDerWaalsContact C-N 3.35Å; I331-D333 PolarHBondContact O-N 3.48Å; D333-E336 PolarHBondContact O-N 2.98Å; D333-T337 WeakPolarHBondContact O-CB 3.42Å; D333-T337 PolarHBondContact O-N 2.76Å; D333-T337 PolarHBondContact O-OG1 3.37Å
334L91.4Very high89.1Confident121 Ų121110.5 Ų110.563%0.63453%0.53SS*.Hα-helixtrans-67-40.6174.4-76171.3000112.3K330 I331 T337 S338K330-L334 WeakPolarHBondContact O-CB 3.12Å; K330-L334 VanDerWaalsContact O-CG 3.31Å; K330-L334 WeakPolarHBondContact O-CG 3.25Å; K330-L334 PolarHBondContact O-N 2.91Å; I331-L334 PolarHBondContact O-N 3.48Å; L334-T337 PolarHBondContact O-N 3Å; L334-S338 VanDerWaalsContact O-CB 3.3Å; L334-S338 WeakPolarHBondContact O-CB 3.47Å; L334-S338 PolarHBondContact O-N 3.28Å
335E93.4Very high87.5Confident107 Ų107112.1 Ų112.150%0.554%0.541SS..Hα-helixtrans-63.5-41174-77-177.9-179.100111.7I331 K332 S338 K339I331-E335 HydrophobicContact CG2-CG 4.42Å; I331-E335 WeakPolarHBondContact O-CB 3.25Å; I331-E335 WeakPolarHBondContact O-CG 3.48Å; I331-E335 PolarHBondContact O-N 3.45Å; K332-E335 PolarHBondContact O-N 2.98Å; E335-S338 PolarHBondContact O-N 3.06Å; E335-K339 WeakPolarHBondContact O-CB 3.43Å; E335-K339 VanDerWaalsContact O-CG 3.29Å; E335-K339 WeakPolarHBondContact O-CG 3.39Å; E335-K339 PolarHBondContact O-N 3.5Å
336E91.2Very high85.8Confident91 Ų91111.3 Ų111.343%0.42555%0.549SS..Hα-helixtrans-65.1-43.4175.2-169.1-178.8151.100111.3K332 D333 K339 K340K332-E336 WeakPolarHBondContact O-CB 3.21Å; K332-E336 PolarHBondContact O-N 3.37Å; D333-E336 PolarHBondContact O-N 2.98Å; E336-K339 PolarHBondContact O-N 2.95Å; E336-K340 WeakPolarHBondContact O-CG 3.45Å; E336-K340 PolarHBondContact O-N 3.22Å; E336-K340 WeakPolarHBondContact OE1-CE 3.38Å; E336-K340 IonicContact OE1-NZ 3.75Å; E336-K340 PolarHBondContact OE1-NZ 3.25Å
337T85.7Confident84.2Confident69 Ų69116 Ų11642%0.42357%0.57SS.*Hα-helixtrans-63.4-44.4176.4-56.10000110.9D333 L334 K339 K340 L341D333-T337 WeakPolarHBondContact O-CB 3.42Å; D333-T337 PolarHBondContact O-N 2.76Å; D333-T337 PolarHBondContact O-OG1 3.37Å; L334-T337 PolarHBondContact O-N 3Å; T337-K339 VanDerWaalsContact C-N 3.34Å; T337-K339 PolarHBondContact O-N 2.76Å; T337-K340 WeakPolarHBondContact O-CB 3.29Å; T337-K340 PolarHBondContact O-N 3.01Å; T337-K340 VanDerWaalsContact O-N 3.13Å; T337-L341 HydrophobicContact CG2-CD1 3.62Å; T337-L341 WeakPolarHBondContact O-CD1 3.46Å; T337-L341 PolarHBondContact O-N 2.99Å
338S84.6Confident82.7Confident57 Ų57117.6 Ų117.640%0.39957%0.57SS.*Hα-helixtrans-60.5-41.6174.9-173.70000112.1L334 E335 L341 R342L334-S338 VanDerWaalsContact O-CB 3.3Å; L334-S338 WeakPolarHBondContact O-CB 3.47Å; L334-S338 PolarHBondContact O-N 3.28Å; E335-S338 PolarHBondContact O-N 3.06Å; S338-L341 PolarHBondContact O-N 3.01Å; S338-R342 WeakPolarHBondContact O-CB 3.19Å; S338-R342 WeakPolarHBondContact O-CG 3.49Å; S338-R342 PolarHBondContact O-N 3.07Å
339K87.3Confident81.4Confident133 Ų133115.8 Ų115.858%0.57857%0.566SS**Hα-helixtrans-64.9-36.2174.4-75.6170.2-176.1167.50112.5E335 E336 T337 K343E335-K339 WeakPolarHBondContact O-CB 3.43Å; E335-K339 VanDerWaalsContact O-CG 3.29Å; E335-K339 WeakPolarHBondContact O-CG 3.39Å; E335-K339 PolarHBondContact O-N 3.5Å; E336-K339 PolarHBondContact O-N 2.95Å; T337-K339 VanDerWaalsContact C-N 3.34Å; T337-K339 PolarHBondContact O-N 2.76Å; K339-K343 WeakPolarHBondContact O-CG 3.34Å; K339-K343 PolarHBondContact O-N 3.32Å
340K84.5Confident80.1Confident116 Ų116112.7 Ų112.750%0.50456%0.561SS.*Hα-helixtrans-68.6-43.9174.8-73.6172.4-176.1166.40111.6E336 T337 K343 S344E336-K340 WeakPolarHBondContact O-CG 3.45Å; E336-K340 PolarHBondContact O-N 3.22Å; E336-K340 WeakPolarHBondContact OE1-CE 3.38Å; E336-K340 IonicContact OE1-NZ 3.75Å; E336-K340 PolarHBondContact OE1-NZ 3.25Å; T337-K340 WeakPolarHBondContact O-CB 3.29Å; T337-K340 PolarHBondContact O-N 3.01Å; T337-K340 VanDerWaalsContact O-N 3.13Å; K340-K343 PolarHBondContact O-N 3.09Å; K340-S344 PolarHBondContact O-N 3.29Å; K340-S344 PolarHBondContact O-OG 3.19Å
341L75.6Confident78.8Confident84 Ų84112.7 Ų112.744%0.4457%0.567SS.*Hα-helixtrans-61-47.3176-91.389.7000111.5T337 S338 K343 S344 F348T337-L341 HydrophobicContact CG2-CD1 3.62Å; T337-L341 WeakPolarHBondContact O-CD1 3.46Å; T337-L341 PolarHBondContact O-N 2.99Å; S338-L341 PolarHBondContact O-N 3.01Å; L341-K343 PolarHBondContact O-N 3.2Å; L341-K343 VanDerWaalsContact O-N 3.1Å; L341-S344 PolarHBondContact O-N 2.7Å; L341-F348 HydrophobicContact CD2-CE2 3.76Å; L341-F348 HydrophobicContact CD2-CZ 3.99Å; L341-F348 HydrophobicContact CG-CE2 4.43Å
342R79.6Confident77.7Confident187 Ų187115.9 Ų115.971%0.70658%0.58SS**THydrogen-bonded Turntrans-62.2-17.2177.6-73.3177179.5-88.71.5114.9S338S338-R342 WeakPolarHBondContact O-CB 3.19Å; S338-R342 WeakPolarHBondContact O-CG 3.49Å; S338-R342 PolarHBondContact O-N 3.07Å
343K79.2Confident76.3Confident184 Ų184113 Ų11380%0.857%0.574SS**THydrogen-bonded Turntrans-91.4-14.3175.8-74.6179.5-179.9-174.20112.8K339 K340 L341K339-K343 WeakPolarHBondContact O-CG 3.34Å; K339-K343 PolarHBondContact O-N 3.32Å; K340-K343 PolarHBondContact O-N 3.09Å; L341-K343 PolarHBondContact O-N 3.2Å; L341-K343 VanDerWaalsContact O-N 3.1Å
344S67.4Low75.2Confident74 Ų74116.9 Ų116.952%0.51759%0.588SS.*  trans-99.527.2-170-52.40000112.8K340 L341 S346K340-S344 PolarHBondContact O-N 3.29Å; K340-S344 PolarHBondContact O-OG 3.19Å; L341-S344 PolarHBondContact O-N 2.7Å; S344-S346 PolarHBondContact O-N 3.25Å
345D60.4Low74.3Confident135 Ų135115.8 Ų115.872%0.72258%0.582SS**THydrogen-bonded Turntrans-64.343.6-171.5-77.8-15.6000115.6
346S60.9Low73.8Confident109 Ų109112.2 Ų112.276%0.76257%0.568SS**THydrogen-bonded Turntrans-140.4-13.9179.3-41.70000117.1S344S344-S346 PolarHBondContact O-N 3.25Å
347N61.6Low73.4Confident155 Ų155114.8 Ų114.883%0.82959%0.59SS**  trans-151.130.3-179.1-93.6-16.5000113.5I349N347-I349 PolarHBondContact O-N 2.86Å; N347-I349 VanDerWaalsContact O-N 3.13Å
348F63.3Low73.2Confident109 Ų109114 Ų11448%0.47859%0.585SS.*  trans-78.4101.4-179-170.1-96000110.6L341 I350 V353L341-F348 HydrophobicContact CD2-CE2 3.76Å; L341-F348 HydrophobicContact CD2-CZ 3.99Å; L341-F348 HydrophobicContact CG-CE2 4.43Å; F348-I350 HydrophobicContact CD1-CG1 3.95Å; F348-I350 HydrophobicContact CE1-CG1 4.15Å; F348-I350 PolarHBondContact O-N 3Å; F348-V353 HydrophobicContact CD2-CG2 4.48Å; F348-V353 HydrophobicContact CE1-CB 4.48Å; F348-V353 HydrophobicContact CE1-CG2 3.92Å; F348-V353 HydrophobicContact CE2-CG2 3.41Å; F348-V353 VanDerWaalsContact CE2-CG2 3.41Å; F348-V353 HydrophobicContact CZ-CB 3.9Å; F348-V353 HydrophobicContact CZ-CG1 4.24Å; F348-V353 HydrophobicContact CZ-CG2 3.09Å
349I67.7Low73.2Confident99 Ų99116.5 Ų116.551%0.50860%0.6SS.*  trans-75.8105169.4-57.9173.5000106.5N347 D351 E352N347-I349 PolarHBondContact O-N 2.86Å; N347-I349 VanDerWaalsContact O-N 3.13Å; I349-D351 HydrophobicContact CG2-CB 4.06Å; I349-D351 PolarHBondContact O-N 2.99Å; I349-D351 VanDerWaalsContact O-N 3.12Å; I349-E352 HydrophobicContact CB-CG 4.33Å; I349-E352 HydrophobicContact CG2-CG 4.32Å; I349-E352 PolarHBondContact O-N 3.1Å
350I69.2Low73.1Confident103 Ų103115.9 Ų115.953%0.52860%0.603SS.*Hα-helixtrans-52.7-35.9-178.3-63.8173.1000110.7F348 E352 V353 F354F348-I350 HydrophobicContact CD1-CG1 3.95Å; F348-I350 HydrophobicContact CE1-CG1 4.15Å; F348-I350 PolarHBondContact O-N 3Å; I350-E352 VanDerWaalsContact C-N 3.26Å; I350-E352 PolarHBondContact O-N 3.41Å; I350-V353 PolarHBondContact O-N 3.22Å; I350-V353 VanDerWaalsContact O-N 3.16Å; I350-F354 HydrophobicContact CG2-CD2 3.98Å; I350-F354 HydrophobicContact CG2-CE2 3.75Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å
351D69.1Low73.2Confident130 Ų130116.8 Ų116.870%0.69560%0.604SS**Hα-helixtrans-66.2-21.6-177.8-56.1-25.8000114I349 V353I349-D351 HydrophobicContact CG2-CB 4.06Å; I349-D351 PolarHBondContact O-N 2.99Å; I349-D351 VanDerWaalsContact O-N 3.12Å; D351-V353 VanDerWaalsContact C-N 3.33Å
352E70.6Confident73.8Confident151 Ų151118.6 Ų118.671%0.70661%0.605SS**Hα-helixtrans-78.4-19176.3-74.6-166164.300113.2I349 I350I349-E352 HydrophobicContact CB-CG 4.33Å; I349-E352 HydrophobicContact CG2-CG 4.32Å; I349-E352 PolarHBondContact O-N 3.1Å; I350-E352 VanDerWaalsContact C-N 3.26Å; I350-E352 PolarHBondContact O-N 3.41Å
353V67.2Low74.2Confident80 Ų80115.9 Ų115.949%0.48560%0.6SS.*Hα-helixtrans-87.1-25.2-178.1174.50000112.3F348 I350 D351F348-V353 HydrophobicContact CD2-CG2 4.48Å; F348-V353 HydrophobicContact CE1-CB 4.48Å; F348-V353 HydrophobicContact CE1-CG2 3.92Å; F348-V353 HydrophobicContact CE2-CG2 3.41Å; F348-V353 VanDerWaalsContact CE2-CG2 3.41Å; F348-V353 HydrophobicContact CZ-CB 3.9Å; F348-V353 HydrophobicContact CZ-CG1 4.24Å; F348-V353 HydrophobicContact CZ-CG2 3.09Å; I350-V353 PolarHBondContact O-N 3.22Å; I350-V353 VanDerWaalsContact O-N 3.16Å; D351-V353 VanDerWaalsContact C-N 3.33Å
354F69Low74.7Confident161 Ų161112.9 Ų112.971%0.70659%0.592SS**  trans-10085.9176.7-62.5-75.5000109.9I350I350-F354 HydrophobicContact CG2-CD2 3.98Å; I350-F354 HydrophobicContact CG2-CE2 3.75Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å
355D73.2Confident75.6Confident97 Ų97113.3 Ų113.352%0.51959%0.591SS.*  trans-98.9151167.3-155.3-0.9000110.8R362D355-R362 IonicContact OD1-CZ 3.37Å; D355-R362 IonicContact OD1-NE 3.66Å; D355-R362 IonicContact OD1-NH1 3.42Å; D355-R362 PolarHBondContact OD1-NH1 3.33Å; D355-R362 IonicContact OD2-CZ 2.92Å; D355-R362 IonicContact OD2-NH1 3.87Å; D355-R362 PolarHBondContact OD2-NH1 3.41Å
356T81.6Confident77Confident33 Ų33110 Ų11020%0.20258%0.576CS.*  trans-83152.1174.864.30000110.5T358 R362 V365T356-T358 PolarHBondContact O-N 3.12Å; T356-T358 PolarHBondContact OG1-O 3.41Å; T356-R362 VanDerWaalsContact OG1-CA 3.29Å; T356-R362 WeakPolarHBondContact OG1-CA 3.37Å; T356-R362 WeakPolarHBondContact OG1-CB 3.35Å; T356-R362 PolarHBondContact OG1-N 3.05Å; T356-V365 HydrophobicContact CG2-CB 4.17Å; T356-V365 HydrophobicContact CG2-CG2 3.59Å
357T83Confident78.4Confident144 Ų144107.9 Ų107.988%0.88356%0.561SS**SBendtrans-60-22.1-178.3-420000113.7
358T81.5Confident79.8Confident53 Ų53105.9 Ų105.933%0.32555%0.546SS..SBendtrans-139.2148-179.177.80000111.3T356 L360 Y361 R362T356-T358 PolarHBondContact O-N 3.12Å; T356-T358 PolarHBondContact OG1-O 3.41Å; T358-L360 PolarHBondContact O-N 3.15Å; T358-L360 VanDerWaalsContact O-N 3.12Å; T358-Y361 HydrophobicContact CG2-CD2 3.98Å; T358-Y361 HydrophobicContact CG2-CE2 4Å; T358-Y361 PolarHBondContact O-N 2.91Å; T358-Y361 VanDerWaalsContact O-N 3.07Å; T358-Y361 WeakPolarHBondContact OG1-CD2 3.35Å; T358-Y361 WeakPolarHBondContact OG1-CE2 3.35Å; T358-Y361 PolarHBondContact OG1-N 3.43Å; T358-R362 PolarHBondContact O-N 3.16Å
359P85.2Confident81.1Confident110 Ų110103.4 Ų103.471%0.71455%0.545SS*.Hα-helixtrans-61-25.1-178.423.9-34.8000113.7R362 Q363P359-R362 WeakPolarHBondContact O-CB 3.44Å; P359-R362 PolarHBondContact O-N 3.26Å; P359-Q363 PolarHBondContact O-N 2.86Å
360L84.9Confident82.2Confident120 Ų120104 Ų10463%0.62855%0.545SS*.Hα-helixtrans-70.7-40176.4-17566.7000111.9T358 R362 Q363 L364T358-L360 PolarHBondContact O-N 3.15Å; T358-L360 VanDerWaalsContact O-N 3.12Å; L360-R362 PolarHBondContact O-N 3.31Å; L360-Q363 PolarHBondContact O-N 3.32Å; L360-L364 PolarHBondContact O-N 3.34Å
361Y88Confident83.3Confident134 Ų134104.3 Ų104.353%0.52555%0.545SS..Hα-helixtrans-65.5-32.5174.1-67.6-51.7000111.3T358 Q363 L364 V365T358-Y361 HydrophobicContact CG2-CD2 3.98Å; T358-Y361 HydrophobicContact CG2-CE2 4Å; T358-Y361 PolarHBondContact O-N 2.91Å; T358-Y361 VanDerWaalsContact O-N 3.07Å; T358-Y361 WeakPolarHBondContact OG1-CD2 3.35Å; T358-Y361 WeakPolarHBondContact OG1-CE2 3.35Å; T358-Y361 PolarHBondContact OG1-N 3.43Å; Y361-Q363 VanDerWaalsContact C-N 3.32Å; Y361-Q363 PolarHBondContact O-N 3.11Å; Y361-L364 WeakPolarHBondContact O-CB 3.42Å; Y361-L364 PolarHBondContact O-N 2.97Å; Y361-V365 WeakPolarHBondContact O-CG2 3.32Å; Y361-V365 PolarHBondContact O-N 2.85Å
362R86.7Confident84.4Confident122 Ų122101.4 Ų101.446%0.4653%0.527SS..Hα-helixtrans-60-44.1176-165.9177.6-174.5130.60.2111.3D355 T356 T358 P359 L360 L364 V365 V366D355-R362 IonicContact OD1-CZ 3.37Å; D355-R362 IonicContact OD1-NE 3.66Å; D355-R362 IonicContact OD1-NH1 3.42Å; D355-R362 PolarHBondContact OD1-NH1 3.33Å; D355-R362 IonicContact OD2-CZ 2.92Å; D355-R362 IonicContact OD2-NH1 3.87Å; D355-R362 PolarHBondContact OD2-NH1 3.41Å; T356-R362 VanDerWaalsContact OG1-CA 3.29Å; T356-R362 WeakPolarHBondContact OG1-CA 3.37Å; T356-R362 WeakPolarHBondContact OG1-CB 3.35Å; T356-R362 PolarHBondContact OG1-N 3.05Å; T358-R362 PolarHBondContact O-N 3.16Å; P359-R362 WeakPolarHBondContact O-CB 3.44Å; P359-R362 PolarHBondContact O-N 3.26Å; L360-R362 PolarHBondContact O-N 3.31Å; R362-L364 VanDerWaalsContact C-N 3.32Å; R362-L364 PolarHBondContact O-N 2.8Å; R362-V365 PolarHBondContact O-N 2.87Å; R362-V366 HydrophobicContact CG-CG2 4.4Å; R362-V366 WeakPolarHBondContact O-CB 3.46Å; R362-V366 VanDerWaalsContact O-CG2 3.26Å; R362-V366 WeakPolarHBondContact O-CG2 3.28Å; R362-V366 PolarHBondContact O-N 3.29Å
363Q88Confident85.4Confident130 Ų13097 Ų9761%0.60752%0.517SS*.Hα-helixtrans-59.2-44.4175.7-68.8178.7-13.800111.5P359 L360 Y361 V366 S367P359-Q363 PolarHBondContact O-N 2.86Å; L360-Q363 PolarHBondContact O-N 3.32Å; Y361-Q363 VanDerWaalsContact C-N 3.32Å; Y361-Q363 PolarHBondContact O-N 3.11Å; Q363-V366 PolarHBondContact O-N 2.97Å; Q363-S367 WeakPolarHBondContact O-CB 3.46Å; Q363-S367 PolarHBondContact O-N 3.18Å; Q363-S367 PolarHBondContact O-OG 2.73Å; Q363-S367 VanDerWaalsContact O-OG 3.1Å
364L89.8Confident86.6Confident121 Ų12195.6 Ų95.663%0.63451%0.506SS*.Hα-helixtrans-63.3-44.5177.7-177.764.6000112.4L360 Y361 R362 F368L360-L364 PolarHBondContact O-N 3.34Å; Y361-L364 WeakPolarHBondContact O-CB 3.42Å; Y361-L364 PolarHBondContact O-N 2.97Å; R362-L364 VanDerWaalsContact C-N 3.32Å; R362-L364 PolarHBondContact O-N 2.8Å; L364-F368 WeakPolarHBondContact O-CB 3.32Å; L364-F368 PolarHBondContact O-N 2.96Å
365V87.8Confident87.7Confident83 Ų8392.8 Ų92.850%0.50350%0.495SS..Hα-helixtrans-65.1-43.3179.2171.30000111T356 Y361 R362 F368 A369T356-V365 HydrophobicContact CG2-CB 4.17Å; T356-V365 HydrophobicContact CG2-CG2 3.59Å; Y361-V365 WeakPolarHBondContact O-CG2 3.32Å; Y361-V365 PolarHBondContact O-N 2.85Å; R362-V365 PolarHBondContact O-N 2.87Å; V365-F368 PolarHBondContact O-N 3.13Å; V365-A369 WeakPolarHBondContact O-CB 3.38Å; V365-A369 PolarHBondContact O-N 3.23Å
366V89.4Confident88.6Confident65 Ų6592.5 Ų92.539%0.39449%0.493SS..Hα-helixtrans-63.2-49.2176.7171.50000110.9R362 Q363 F368 A369 E370R362-V366 HydrophobicContact CG-CG2 4.4Å; R362-V366 WeakPolarHBondContact O-CB 3.46Å; R362-V366 VanDerWaalsContact O-CG2 3.26Å; R362-V366 WeakPolarHBondContact O-CG2 3.28Å; R362-V366 PolarHBondContact O-N 3.29Å; Q363-V366 PolarHBondContact O-N 2.97Å; V366-F368 VanDerWaalsContact C-N 3.29Å; V366-F368 PolarHBondContact O-N 3.49Å; V366-A369 PolarHBondContact O-N 2.91Å; V366-A369 VanDerWaalsContact O-N 3.15Å; V366-E370 HydrophobicContact CG1-CG 4.37Å; V366-E370 WeakPolarHBondContact O-CG 3.33Å; V366-E370 PolarHBondContact O-N 3.25Å
367S90Very high89.1Confident65 Ų6592.8 Ų92.846%0.45550%0.499SS..Hα-helixtrans-61.3-37.3178.4-64.80000112.8Q363 E370 E371Q363-S367 WeakPolarHBondContact O-CB 3.46Å; Q363-S367 PolarHBondContact O-N 3.18Å; Q363-S367 PolarHBondContact O-OG 2.73Å; Q363-S367 VanDerWaalsContact O-OG 3.1Å; S367-E370 PolarHBondContact O-N 3.46Å; S367-E371 WeakPolarHBondContact O-CB 3.48Å; S367-E371 PolarHBondContact O-N 2.95Å
368F91.5Very high89.5Confident114 Ų11487.9 Ų87.950%0.547%0.467SS..Hα-helixtrans-69.2-39.3175.2-175.5-98.1000112.3L364 V365 V366 E370 E371 Q372L364-F368 WeakPolarHBondContact O-CB 3.32Å; L364-F368 PolarHBondContact O-N 2.96Å; V365-F368 PolarHBondContact O-N 3.13Å; V366-F368 VanDerWaalsContact C-N 3.29Å; V366-F368 PolarHBondContact O-N 3.49Å; F368-E370 VanDerWaalsContact C-N 3.34Å; F368-E371 PolarHBondContact O-N 3.27Å; F368-Q372 HydrophobicContact CD1-CG 4.3Å; F368-Q372 HydrophobicContact CE1-CG 3.81Å; F368-Q372 HydrophobicContact CE2-CG 4.47Å; F368-Q372 HydrophobicContact CZ-CG 3.91Å; F368-Q372 WeakPolarHBondContact O-CG 3.44Å; F368-Q372 PolarHBondContact O-N 3.38Å
369A90.2Very high89.9Confident56 Ų5692.5 Ų92.546%0.46348%0.48SS..Hα-helixtrans-65-38.6175.200000111.7V365 V366 A373V365-A369 WeakPolarHBondContact O-CB 3.38Å; V365-A369 PolarHBondContact O-N 3.23Å; V366-A369 PolarHBondContact O-N 2.91Å; V366-A369 VanDerWaalsContact O-N 3.15Å; A369-A373 WeakPolarHBondContact O-CB 3.44Å; A369-A373 PolarHBondContact O-N 2.96Å
370E90.8Very high90.1Very high111 Ų11194.2 Ų94.252%0.51947%0.473SS..Hα-helixtrans-63.5-45.5172.9-72.5171.5167.600111.5V366 S367 F368 Q372 A373 I374V366-E370 HydrophobicContact CG1-CG 4.37Å; V366-E370 WeakPolarHBondContact O-CG 3.33Å; V366-E370 PolarHBondContact O-N 3.25Å; S367-E370 PolarHBondContact O-N 3.46Å; F368-E370 VanDerWaalsContact C-N 3.34Å; E370-Q372 PolarHBondContact O-N 2.98Å; E370-A373 PolarHBondContact O-N 3.16Å; E370-I374 VanDerWaalsContact O-CG1 3.29Å; E370-I374 WeakPolarHBondContact O-CG1 3.29Å; E370-I374 PolarHBondContact O-N 3.5Å
371E92Very high90.3Very high110 Ų11089.6 Ų89.651%0.51445%0.449SS..Hα-helixtrans-59.6-44.9176.8-173.9172.1-159.800111.5S367 F368 I374 E375S367-E371 WeakPolarHBondContact O-CB 3.48Å; S367-E371 PolarHBondContact O-N 2.95Å; F368-E371 PolarHBondContact O-N 3.27Å; E371-I374 PolarHBondContact O-N 3.26Å; E371-E375 PolarHBondContact O-N 3Å
372Q92.3Very high90.3Very high69 Ų6984.3 Ų84.332%0.32244%0.435SS..Hα-helixtrans-67-39.2176.1-75.3-60.1-3600113.1F368 E370 I374 E375 D376F368-Q372 HydrophobicContact CD1-CG 4.3Å; F368-Q372 HydrophobicContact CE1-CG 3.81Å; F368-Q372 HydrophobicContact CE2-CG 4.47Å; F368-Q372 HydrophobicContact CZ-CG 3.91Å; F368-Q372 WeakPolarHBondContact O-CG 3.44Å; F368-Q372 PolarHBondContact O-N 3.38Å; E370-Q372 PolarHBondContact O-N 2.98Å; Q372-I374 VanDerWaalsContact C-N 3.27Å; Q372-I374 PolarHBondContact O-N 2.94Å; Q372-E375 PolarHBondContact NE2-OE2 3.31Å; Q372-E375 PolarHBondContact O-N 3.25Å; Q372-E375 PolarHBondContact OE1-OE2 2.91Å; Q372-D376 PolarHBondContact O-N 3.39Å
373A92.6Very high90.4Very high59 Ų5982 Ų8249%0.48843%0.429SS..Hα-helixtrans-63.4-34.917500000112.1A369 E370 A377A369-A373 WeakPolarHBondContact O-CB 3.44Å; A369-A373 PolarHBondContact O-N 2.96Å; E370-A373 PolarHBondContact O-N 3.16Å; A373-A377 VanDerWaalsContact O-CB 3.25Å; A373-A377 WeakPolarHBondContact O-CB 3.25Å; A373-A377 PolarHBondContact O-N 3.39Å
374I91.5Very high90.4Very high51 Ų5177 Ų7726%0.26241%0.41SS..Hα-helixtrans-68.3-45.4173.9-68.4163.6000110.7E370 E371 Q372 D376 A377 I378 L402 F403E370-I374 VanDerWaalsContact O-CG1 3.29Å; E370-I374 WeakPolarHBondContact O-CG1 3.29Å; E370-I374 PolarHBondContact O-N 3.5Å; E371-I374 PolarHBondContact O-N 3.26Å; Q372-I374 VanDerWaalsContact C-N 3.27Å; Q372-I374 PolarHBondContact O-N 2.94Å; I374-D376 PolarHBondContact O-N 3.45Å; I374-A377 PolarHBondContact O-N 3.19Å; I374-I378 HydrophobicContact CG2-CD1 3.75Å; I374-I378 HydrophobicContact CG2-CG1 4.38Å; I374-I378 VanDerWaalsContact O-CG1 3.29Å; I374-I378 WeakPolarHBondContact O-CG1 3.45Å; I374-I378 PolarHBondContact O-N 3.42Å; I374-L402 HydrophobicContact CG2-CB 4.21Å; I374-F403 HydrophobicContact CG2-CE1 4.48Å
375E91Very high90.2Very high102 Ų10274.1 Ų74.148%0.47739%0.394SS..Hα-helixtrans-58-46.7176.3-74.7-174.5164.400111.7E371 Q372 I378 Y379E371-E375 PolarHBondContact O-N 3Å; Q372-E375 PolarHBondContact NE2-OE2 3.31Å; Q372-E375 PolarHBondContact O-N 3.25Å; Q372-E375 PolarHBondContact OE1-OE2 2.91Å; E375-I378 PolarHBondContact O-N 2.86Å; E375-Y379 WeakPolarHBondContact O-CB 3.26Å; E375-Y379 PolarHBondContact O-N 3.31Å
376D93.1Very high90Very high90 Ų9073 Ų7348%0.48140%0.4SS..Hα-helixtrans-62.1-45175.5-79.9-13.9000111.7Q372 I374 I378 Y379 Y380Q372-D376 PolarHBondContact O-N 3.39Å; I374-D376 PolarHBondContact O-N 3.45Å; D376-I378 VanDerWaalsContact C-N 3.33Å; D376-I378 PolarHBondContact O-N 3.3Å; D376-Y379 WeakPolarHBondContact O-CB 3.15Å; D376-Y379 PolarHBondContact O-N 3.26Å; D376-Y380 WeakPolarHBondContact O-CD2 3.18Å; D376-Y380 PolarHBondContact O-N 2.96Å
377A92.6Very high90.1Very high39 Ų3976.4 Ų76.432%0.32241%0.409SS..Hα-helixtrans-60.6-42.5177.900000111.6A373 I374 L381 L402A373-A377 VanDerWaalsContact O-CB 3.25Å; A373-A377 WeakPolarHBondContact O-CB 3.25Å; A373-A377 PolarHBondContact O-N 3.39Å; I374-A377 PolarHBondContact O-N 3.19Å; A377-L381 WeakPolarHBondContact O-CB 3.46Å; A377-L381 PolarHBondContact O-N 3.35Å; A377-L402 HydrophobicContact CB-CD1 3.83Å; A377-L402 HydrophobicContact CB-CD2 4.38Å
378I89.7Confident89.7Confident41 Ų4180.4 Ų80.421%0.2143%0.426CS..Hα-helixtrans-65.3-41.5175.6-68.4168.7000110.7I374 E375 D376 L381 G382 L402 F403I374-I378 HydrophobicContact CG2-CD1 3.75Å; I374-I378 HydrophobicContact CG2-CG1 4.38Å; I374-I378 VanDerWaalsContact O-CG1 3.29Å; I374-I378 WeakPolarHBondContact O-CG1 3.45Å; I374-I378 PolarHBondContact O-N 3.42Å; E375-I378 PolarHBondContact O-N 2.86Å; D376-I378 VanDerWaalsContact C-N 3.33Å; D376-I378 PolarHBondContact O-N 3.3Å; I378-L381 PolarHBondContact O-N 2.9Å; I378-G382 PolarHBondContact O-N 3.47Å; I378-L402 HydrophobicContact CG1-CD1 3.93Å; I378-F403 HydrophobicContact CD1-CE1 4.4Å; I378-F403 HydrophobicContact CD1-CE2 3.73Å; I378-F403 HydrophobicContact CD1-CZ 3.48Å; I378-F403 VanDerWaalsContact CD1-CZ 3.48Å
379Y90.2Very high89.5Confident151 Ų15180 Ų8059%0.59243%0.432SS*.Hα-helixtrans-58.8-52177.1176.2-94000111.6E375 D376 L381 G382 E383E375-Y379 WeakPolarHBondContact O-CB 3.26Å; E375-Y379 PolarHBondContact O-N 3.31Å; D376-Y379 WeakPolarHBondContact O-CB 3.15Å; D376-Y379 PolarHBondContact O-N 3.26Å; Y379-L381 VanDerWaalsContact C-N 3.33Å; Y379-L381 PolarHBondContact O-N 2.9Å; Y379-G382 PolarHBondContact O-N 3.39Å; Y379-G382 VanDerWaalsContact O-N 3.16Å; Y379-E383 PolarHBondContact O-N 3.09Å
380Y90.4Very high89.1Confident145 Ų14579.6 Ų79.657%0.56942%0.42SS*.Hα-helixtrans-67.7-32.9179.2-74.8-65.5000112.7D376 G382 E383 A384D376-Y380 WeakPolarHBondContact O-CD2 3.18Å; D376-Y380 PolarHBondContact O-N 2.96Å; Y380-G382 VanDerWaalsContact C-N 3.35Å; Y380-E383 PolarHBondContact O-N 3.44Å; Y380-A384 VanDerWaalsContact O-CB 3.31Å; Y380-A384 WeakPolarHBondContact O-CB 3.34Å; Y380-A384 PolarHBondContact O-N 3.14Å
381L88.7Confident88.8Confident24 Ų2479.6 Ų79.613%0.12642%0.424CS..Hα-helixtrans-64.8-40.9172.2-163.777.5000110.7A377 I378 Y379 A384 M385 F390 Y395 V398A377-L381 WeakPolarHBondContact O-CB 3.46Å; A377-L381 PolarHBondContact O-N 3.35Å; I378-L381 PolarHBondContact O-N 2.9Å; Y379-L381 VanDerWaalsContact C-N 3.33Å; Y379-L381 PolarHBondContact O-N 2.9Å; L381-A384 PolarHBondContact O-N 3.42Å; L381-M385 PolarHBondContact O-N 3.44Å; L381-F390 HydrophobicContact CB-CZ 4.39Å; L381-F390 HydrophobicContact CD1-CE1 3.98Å; L381-F390 HydrophobicContact CD1-CE2 3.89Å; L381-F390 HydrophobicContact CD1-CZ 3.32Å; L381-F390 HydrophobicContact CG-CE2 3.98Å; L381-F390 HydrophobicContact CG-CZ 3.64Å; L381-F390 WeakPolarHBondContact O-CZ 3.25Å; L381-Y395 HydrophobicContact CB-CD2 4.26Å; L381-Y395 HydrophobicContact CB-CE2 4.15Å; L381-Y395 HydrophobicContact CD2-CD2 3.6Å; L381-Y395 HydrophobicContact CD2-CE2 3.83Å; L381-Y395 HydrophobicContact CD2-CG 4.31Å; L381-Y395 HydrophobicContact CG-CD2 3.62Å; L381-Y395 HydrophobicContact CG-CE2 3.96Å; L381-V398 HydrophobicContact CD1-CB 4.32Å; L381-V398 HydrophobicContact CD1-CG1 4Å; L381-V398 HydrophobicContact CD2-CB 3.99Å; L381-V398 HydrophobicContact CD2-CG1 3.95Å
382G88Confident88.5Confident23 Ų2378.1 Ų78.124%0.23742%0.422CS..Hα-helixtrans-64.2-41.6174.700000112.5I378 Y379 Y380 M385 G386I378-G382 PolarHBondContact O-N 3.47Å; Y379-G382 PolarHBondContact O-N 3.39Å; Y379-G382 VanDerWaalsContact O-N 3.16Å; Y380-G382 VanDerWaalsContact C-N 3.35Å; G382-M385 PolarHBondContact O-N 3.32Å; G382-G386 PolarHBondContact O-N 3.07Å
383E88.7Confident88.1Confident74 Ų7482.2 Ų82.235%0.34644%0.441SS..Hα-helixtrans-65.5-41.6176.7-162.6-167.9167.700111.8Y379 Y380 G386 K387Y379-E383 PolarHBondContact O-N 3.09Å; Y380-E383 PolarHBondContact O-N 3.44Å; E383-G386 PolarHBondContact O-N 3.1Å; E383-K387 WeakPolarHBondContact O-CG 3.47Å; E383-K387 PolarHBondContact O-N 3.45Å; E383-K387 VanDerWaalsContact OE1-CE 3.24Å; E383-K387 WeakPolarHBondContact OE1-CE 3.29Å; E383-K387 IonicContact OE1-NZ 2.64Å; E383-K387 PolarHBondContact OE1-NZ 2.93Å
384A88.1Confident87.8Confident24 Ų2483.5 Ų83.520%0.19844%0.439CS..Hα-helixtrans-68.6-34178.100000112.6Y380 L381 K387 N388 V389 F390Y380-A384 VanDerWaalsContact O-CB 3.31Å; Y380-A384 WeakPolarHBondContact O-CB 3.34Å; Y380-A384 PolarHBondContact O-N 3.14Å; L381-A384 PolarHBondContact O-N 3.42Å; A384-K387 PolarHBondContact O-N 2.94Å; A384-N388 PolarHBondContact O-N 3.16Å; A384-V389 HydrophobicContact CB-CB 4.35Å; A384-V389 HydrophobicContact CB-CG2 4.43Å; A384-V389 WeakPolarHBondContact O-CB 3.31Å; A384-V389 PolarHBondContact O-N 3.44Å; A384-F390 HydrophobicContact CB-CD1 4.24Å; A384-F390 HydrophobicContact CB-CE1 3.28Å; A384-F390 HydrophobicContact CB-CZ 3.66Å
385M85.3Confident87.6Confident60 Ų6083.4 Ų83.430%0.29644%0.436SS..Hα-helixtrans-63.4-43.9168.5-175.5-173.863.600111L381 G382 K387 N388 F390 V392 Y395L381-M385 PolarHBondContact O-N 3.44Å; G382-M385 PolarHBondContact O-N 3.32Å; M385-K387 PolarHBondContact O-N 3.48Å; M385-N388 PolarHBondContact O-N 2.83Å; M385-F390 HydrophobicContact CB-CE2 3.89Å; M385-F390 HydrophobicContact CB-CZ 4.4Å; M385-V392 HydrophobicContact SD-CG2 4.26Å; M385-Y395 HydrophobicContact CB-CD2 4.24Å; M385-Y395 HydrophobicContact SD-CD1 4.07Å; M385-Y395 HydrophobicContact SD-CD2 4.04Å; M385-Y395 HydrophobicContact SD-CG 3.72Å
386G84.8Confident87.3Confident61 Ų6183.2 Ų83.263%0.62944%0.437SS*.Hα-helixtrans-61.3-28.2175.700000113.8G382 E383 N388G382-G386 PolarHBondContact O-N 3.07Å; E383-G386 PolarHBondContact O-N 3.1Å; G386-N388 VanDerWaalsContact C-N 3.32Å
387K90.3Very high87.1Confident135 Ų13585.5 Ų85.559%0.58744%0.443SS*.THydrogen-bonded Turntrans-86.15.3173.8-68.7176.1-173.5166.70113.9E383 A384 M385 V389E383-K387 WeakPolarHBondContact O-CG 3.47Å; E383-K387 PolarHBondContact O-N 3.45Å; E383-K387 VanDerWaalsContact OE1-CE 3.24Å; E383-K387 WeakPolarHBondContact OE1-CE 3.29Å; E383-K387 IonicContact OE1-NZ 2.64Å; E383-K387 PolarHBondContact OE1-NZ 2.93Å; A384-K387 PolarHBondContact O-N 2.94Å; M385-K387 PolarHBondContact O-N 3.48Å; K387-V389 VanDerWaalsContact C-N 3.29Å; K387-V389 HydrophobicContact CB-CG2 4.05Å; K387-V389 PolarHBondContact O-N 3.36Å
388N82.9Confident86.8Confident150 Ų15086 Ų8680%0.80244%0.442SS*.THydrogen-bonded Turntrans5734.3-176.4-61.6-75.9000114A384 M385 G386A384-N388 PolarHBondContact O-N 3.16Å; M385-N388 PolarHBondContact O-N 2.83Å; G386-N388 VanDerWaalsContact C-N 3.32Å
389V85.8Confident86.5Confident106 Ų10684.7 Ų84.764%0.64244%0.436SS*.SBendtrans-75.5-31.4177-177.60000111.5A384 K387A384-V389 HydrophobicContact CB-CB 4.35Å; A384-V389 HydrophobicContact CB-CG2 4.43Å; A384-V389 WeakPolarHBondContact O-CB 3.31Å; A384-V389 PolarHBondContact O-N 3.44Å; K387-V389 VanDerWaalsContact C-N 3.29Å; K387-V389 HydrophobicContact CB-CG2 4.05Å; K387-V389 PolarHBondContact O-N 3.36Å
390F82.8Confident86.3Confident46 Ų4680.9 Ų80.920%0.20243%0.431CS..SBendtrans-147.6159.3176.449-98.7000111.7L381 A384 M385 I394 Y395L381-F390 HydrophobicContact CB-CZ 4.39Å; L381-F390 HydrophobicContact CD1-CE1 3.98Å; L381-F390 HydrophobicContact CD1-CE2 3.89Å; L381-F390 HydrophobicContact CD1-CZ 3.32Å; L381-F390 HydrophobicContact CG-CE2 3.98Å; L381-F390 HydrophobicContact CG-CZ 3.64Å; L381-F390 WeakPolarHBondContact O-CZ 3.25Å; A384-F390 HydrophobicContact CB-CD1 4.24Å; A384-F390 HydrophobicContact CB-CE1 3.28Å; A384-F390 HydrophobicContact CB-CZ 3.66Å; M385-F390 HydrophobicContact CB-CE2 3.89Å; M385-F390 HydrophobicContact CB-CZ 4.4Å; F390-I394 HydrophobicContact CB-CB 4.15Å; F390-I394 HydrophobicContact CB-CD1 4Å; F390-I394 HydrophobicContact CB-CG2 4.12Å; F390-I394 HydrophobicContact CD2-CB 4.27Å; F390-I394 HydrophobicContact CD2-CG2 4.24Å; F390-I394 HydrophobicContact CG-CG2 4.27Å; F390-Y395 HydrophobicContact CE2-CD2 4.16Å
391D83.7Confident86Confident111 Ų11179.3 Ų79.359%0.59443%0.429SS*.  trans-74157.8-177.7-154-11.6000112.2E393 I394 Y395D391-E393 PolarHBondContact O-N 2.93Å; D391-I394 WeakPolarHBondContact O-CB 3.33Å; D391-I394 PolarHBondContact O-N 2.91Å; D391-Y395 PolarHBondContact O-N 2.94Å; D391-Y395 VanDerWaalsContact O-N 3.14Å
392V85.8Confident85.6Confident80 Ų8080.8 Ų80.849%0.48544%0.437SS..Hα-helixtrans-58.4-32.9-178.2179.40000111.4M385 I394 Y395 L396M385-V392 HydrophobicContact SD-CG2 4.26Å; V392-I394 VanDerWaalsContact C-N 3.32Å; V392-I394 PolarHBondContact O-N 3.43Å; V392-Y395 WeakPolarHBondContact O-CB 3.31Å; V392-Y395 PolarHBondContact O-N 2.67Å; V392-L396 HydrophobicContact CG1-CD1 4.16Å; V392-L396 HydrophobicContact CG1-CG 4.39Å; V392-L396 WeakPolarHBondContact O-CG 3.2Å; V392-L396 PolarHBondContact O-N 3.44Å
393E85.2Confident85.2Confident154 Ų15486.6 Ų86.672%0.7246%0.456SS*.Hα-helixtrans-65.7-35.9177.4-166.1171.2-166.200112.1D391 K397D391-E393 PolarHBondContact O-N 2.93Å; E393-K397 WeakPolarHBondContact O-CB 3.34Å; E393-K397 PolarHBondContact O-N 3.14Å
394I85.7Confident84.5Confident87 Ų8794.5 Ų94.545%0.44649%0.489SS..Hα-helixtrans-69.5-42.8175-61.1172.9000109.6F390 D391 V392 L396 K397 V398F390-I394 HydrophobicContact CB-CB 4.15Å; F390-I394 HydrophobicContact CB-CD1 4Å; F390-I394 HydrophobicContact CB-CG2 4.12Å; F390-I394 HydrophobicContact CD2-CB 4.27Å; F390-I394 HydrophobicContact CD2-CG2 4.24Å; F390-I394 HydrophobicContact CG-CG2 4.27Å; D391-I394 WeakPolarHBondContact O-CB 3.33Å; D391-I394 PolarHBondContact O-N 2.91Å; V392-I394 VanDerWaalsContact C-N 3.32Å; V392-I394 PolarHBondContact O-N 3.43Å; I394-L396 PolarHBondContact O-N 3.03Å; I394-K397 PolarHBondContact O-N 3.2Å; I394-V398 HydrophobicContact CG2-CG2 4.2Å; I394-V398 WeakPolarHBondContact O-CB 3.44Å; I394-V398 WeakPolarHBondContact O-CG2 3.38Å; I394-V398 PolarHBondContact O-N 3.46Å
395Y86.2Confident84.3Confident49 Ų4998 Ų9819%0.19250%0.504CS..Hα-helixtrans-55.8-51.3174.6176.5-93.6000111.6L381 M385 F390 D391 V392 K397 V398 S399L381-Y395 HydrophobicContact CB-CD2 4.26Å; L381-Y395 HydrophobicContact CB-CE2 4.15Å; L381-Y395 HydrophobicContact CD2-CD2 3.6Å; L381-Y395 HydrophobicContact CD2-CE2 3.83Å; L381-Y395 HydrophobicContact CD2-CG 4.31Å; L381-Y395 HydrophobicContact CG-CD2 3.62Å; L381-Y395 HydrophobicContact CG-CE2 3.96Å; M385-Y395 HydrophobicContact CB-CD2 4.24Å; M385-Y395 HydrophobicContact SD-CD1 4.07Å; M385-Y395 HydrophobicContact SD-CD2 4.04Å; M385-Y395 HydrophobicContact SD-CG 3.72Å; F390-Y395 HydrophobicContact CE2-CD2 4.16Å; D391-Y395 PolarHBondContact O-N 2.94Å; D391-Y395 VanDerWaalsContact O-N 3.14Å; V392-Y395 WeakPolarHBondContact O-CB 3.31Å; V392-Y395 PolarHBondContact O-N 2.67Å; Y395-K397 VanDerWaalsContact C-N 3.33Å; Y395-K397 PolarHBondContact O-N 3.29Å; Y395-V398 PolarHBondContact O-N 3.18Å; Y395-S399 VanDerWaalsContact O-CB 3.25Å; Y395-S399 WeakPolarHBondContact O-CB 3.24Å; Y395-S399 PolarHBondContact O-N 3Å; Y395-S399 PolarHBondContact O-OG 3.46Å
396L86.2Confident84.2Confident97 Ų97100 Ų10051%0.50852%0.515SS..Hα-helixtrans-65-36.7-178.8-72.4174000112.2V392 I394 S399 C400V392-L396 HydrophobicContact CG1-CD1 4.16Å; V392-L396 HydrophobicContact CG1-CG 4.39Å; V392-L396 WeakPolarHBondContact O-CG 3.2Å; V392-L396 PolarHBondContact O-N 3.44Å; I394-L396 PolarHBondContact O-N 3.03Å; L396-S399 WeakPolarHBondContact CA-OG 3.49Å; L396-S399 PolarHBondContact O-OG 2.64Å; L396-C400 VanDerWaalsContact O-CB 3.31Å; L396-C400 WeakPolarHBondContact O-CB 3.43Å; L396-C400 PolarHBondContact O-N 3.2Å; L396-C400 VanDerWaalsContact O-N 3.1Å; L396-C400 PolarHBondContact O-SG 3Å
397K88.5Confident84.2Confident138 Ų138102.2 Ų102.260%0.651%0.508SS*.Hα-helixtrans-68.2-47.3177.8-173.1176.9-179.6-1800111.9E393 I394 Y395 Q401E393-K397 WeakPolarHBondContact O-CB 3.34Å; E393-K397 PolarHBondContact O-N 3.14Å; I394-K397 PolarHBondContact O-N 3.2Å; Y395-K397 VanDerWaalsContact C-N 3.33Å; Y395-K397 PolarHBondContact O-N 3.29Å; K397-Q401 WeakPolarHBondContact O-CG 3.42Å; K397-Q401 PolarHBondContact O-N 2.97Å; K397-Q401 VanDerWaalsContact O-N 3.14Å
398V86.1Confident83.9Confident50 Ų50100.2 Ų100.230%0.30350%0.504SS..Hα-helixtrans-71.9-42.1-178.2176.80000111.1L381 I394 Y395 C400 Q401 L402L381-V398 HydrophobicContact CD1-CB 4.32Å; L381-V398 HydrophobicContact CD1-CG1 4Å; L381-V398 HydrophobicContact CD2-CB 3.99Å; L381-V398 HydrophobicContact CD2-CG1 3.95Å; I394-V398 HydrophobicContact CG2-CG2 4.2Å; I394-V398 WeakPolarHBondContact O-CB 3.44Å; I394-V398 WeakPolarHBondContact O-CG2 3.38Å; I394-V398 PolarHBondContact O-N 3.46Å; Y395-V398 PolarHBondContact O-N 3.18Å; V398-C400 VanDerWaalsContact C-N 3.35Å; V398-C400 PolarHBondContact O-N 3Å; V398-Q401 WeakPolarHBondContact O-CB 3.12Å; V398-Q401 PolarHBondContact O-N 3.42Å; V398-Q401 VanDerWaalsContact O-N 3.09Å; V398-L402 PolarHBondContact O-N 3.36Å; V398-L402 VanDerWaalsContact O-N 3.16Å
399S84.2Confident83.9Confident13 Ų1397.1 Ų97.19%0.09149%0.485CS..Hα-helixtrans-61.4-41.8175.554.50000111.8Y395 L396 Q401 L402 F403Y395-S399 VanDerWaalsContact O-CB 3.25Å; Y395-S399 WeakPolarHBondContact O-CB 3.24Å; Y395-S399 PolarHBondContact O-N 3Å; Y395-S399 PolarHBondContact O-OG 3.46Å; L396-S399 WeakPolarHBondContact CA-OG 3.49Å; L396-S399 PolarHBondContact O-OG 2.64Å; S399-Q401 VanDerWaalsContact C-N 3.3Å; S399-Q401 PolarHBondContact O-N 3.39Å; S399-L402 PolarHBondContact O-N 3.26Å; S399-F403 WeakPolarHBondContact O-CD2 3.46Å
400C84.9Confident83.8Confident71 Ų7196.5 Ų96.548%0.4848%0.475SS..Hα-helixtrans-60.3-39.3172.8-72.30000112.2L396 V398 L402 F403 F404L396-C400 VanDerWaalsContact O-CB 3.31Å; L396-C400 WeakPolarHBondContact O-CB 3.43Å; L396-C400 PolarHBondContact O-N 3.2Å; L396-C400 VanDerWaalsContact O-N 3.1Å; L396-C400 PolarHBondContact O-SG 3Å; V398-C400 VanDerWaalsContact C-N 3.35Å; V398-C400 PolarHBondContact O-N 3Å; C400-L402 VanDerWaalsContact C-N 3.28Å; C400-L402 PolarHBondContact O-N 3.32Å; C400-F403 PolarHBondContact O-N 2.99Å; C400-F404 VanDerWaalsContact O-CD2 3.26Å; C400-F404 WeakPolarHBondContact O-CD2 3.47Å
401Q84.5Confident83.9Confident113 Ų113100.1 Ų100.153%0.52849%0.494SS..Hα-helixtrans-67.6-23.8179.6-77.1176.7-19.500113.9K397 V398 S399 F403 F404K397-Q401 WeakPolarHBondContact O-CG 3.42Å; K397-Q401 PolarHBondContact O-N 2.97Å; K397-Q401 VanDerWaalsContact O-N 3.14Å; V398-Q401 WeakPolarHBondContact O-CB 3.12Å; V398-Q401 PolarHBondContact O-N 3.42Å; V398-Q401 VanDerWaalsContact O-N 3.09Å; S399-Q401 VanDerWaalsContact C-N 3.3Å; S399-Q401 PolarHBondContact O-N 3.39Å; Q401-F403 VanDerWaalsContact C-N 3.25Å; Q401-F403 PolarHBondContact O-N 2.96Å; Q401-F404 VanDerWaalsContact O-OXT 3.05Å
402L80.3Confident83.9Confident54 Ų5499.3 Ų99.328%0.28349%0.486SS..Hα-helixtrans-74-16.9177.1-69.8170.1000113.2I374 A377 I378 V398 S399 C400I374-L402 HydrophobicContact CG2-CB 4.21Å; A377-L402 HydrophobicContact CB-CD1 3.83Å; A377-L402 HydrophobicContact CB-CD2 4.38Å; I378-L402 HydrophobicContact CG1-CD1 3.93Å; V398-L402 PolarHBondContact O-N 3.36Å; V398-L402 VanDerWaalsContact O-N 3.16Å; S399-L402 PolarHBondContact O-N 3.26Å; C400-L402 VanDerWaalsContact C-N 3.28Å; C400-L402 PolarHBondContact O-N 3.32Å
403F78.6Confident83.7Confident145 Ų145100.9 Ų100.964%0.63649%0.487SS*.THydrogen-bonded Turntrans-95-3.8178.3-68.6-74.3000113.9I374 I378 S399 C400 Q401I374-F403 HydrophobicContact CG2-CE1 4.48Å; I378-F403 HydrophobicContact CD1-CE1 4.4Å; I378-F403 HydrophobicContact CD1-CE2 3.73Å; I378-F403 HydrophobicContact CD1-CZ 3.48Å; I378-F403 VanDerWaalsContact CD1-CZ 3.48Å; S399-F403 WeakPolarHBondContact O-CD2 3.46Å; C400-F403 PolarHBondContact O-N 2.99Å; Q401-F403 VanDerWaalsContact C-N 3.25Å; Q401-F403 PolarHBondContact O-N 2.96Å
404F74.1Confident83.6Confident240 Ų24096.1 Ų96.1100%1.05347%0.465SS*.  trans-118.30179.4-73.7-72.1000110.8C400 Q401C400-F404 VanDerWaalsContact O-CD2 3.26Å; C400-F404 WeakPolarHBondContact O-CD2 3.47Å; Q401-F404 VanDerWaalsContact O-OXT 3.05Å

Retrieved 404 of 404 residues in 235.8 ms (Link to these results)

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