A0A5K4F4L4_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F4L4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 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
1M38.3Very low45.2Very low240 Ų240109.7 Ų109.7100%1.18261%0.605SS**  023.50-77.7179.8171.100113.7
2G39.4Very low47Very low59 Ų59105.5 Ų105.561%0.60859%0.589SS**  trans-91.4-17.7-174.400000117.7
3N43Very low49.1Very low145 Ų145105.2 Ų105.278%0.77558%0.581SS**Hα-helixtrans-86-22.6-168.1-74.56.4000115.1A7N3-A7 WeakPolarHBondContact O-CB 3.42Å; N3-A7 PolarHBondContact O-N 3.31Å
4S51.6Low51.2Low74 Ų74103.8 Ų103.852%0.51757%0.568SS.*Hα-helixtrans-74.1-32.5-173.260.60000113R8S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 VanDerWaalsContact O-CG 3.24Å; S4-R8 WeakPolarHBondContact O-CG 3.22Å; S4-R8 PolarHBondContact O-N 3.47Å; S4-R8 VanDerWaalsContact O-N 3.13Å
5H43.4Very low53Low150 Ų15098.3 Ų98.369%0.69454%0.537SS*.Hα-helixtrans-77.7-41.4-176.5-153.9-4.2000112.3R8 K9H5-R8 PolarHBondContact O-N 3.49Å; H5-K9 WeakPolarHBondContact O-CB 3.44Å; H5-K9 PolarHBondContact O-N 3.13Å
6A37.4Very low55Low66 Ų6695.4 Ų95.455%0.54553%0.53SS..Hα-helixtrans-64.5-44175.400000111.7K9 C10A6-K9 PolarHBondContact O-N 2.68Å; A6-C10 WeakPolarHBondContact O-CB 3.3Å; A6-C10 PolarHBondContact O-N 3.46Å
7A42.6Very low57Low51 Ų5197.9 Ų97.942%0.42154%0.537SS..Hα-helixtrans-61.8-44.917600000112.2N3 K9 C10 I11N3-A7 WeakPolarHBondContact O-CB 3.42Å; N3-A7 PolarHBondContact O-N 3.31Å; A7-K9 VanDerWaalsContact C-N 3.33Å; A7-K9 PolarHBondContact O-N 2.91Å; A7-C10 PolarHBondContact O-N 3.25Å; A7-I11 WeakPolarHBondContact O-CD1 3.29Å; A7-I11 VanDerWaalsContact O-CG1 3.24Å; A7-I11 WeakPolarHBondContact O-CG1 3.4Å; A7-I11 PolarHBondContact O-N 3.44Å
8R49Very low58.9Low183 Ų18396.6 Ų96.669%0.69152%0.523SS*.Hα-helixtrans-61.4-39.1175.6-77.1175.5179.2-176.9-0.8112.8S4 H5 S12S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 VanDerWaalsContact O-CG 3.24Å; S4-R8 WeakPolarHBondContact O-CG 3.22Å; S4-R8 PolarHBondContact O-N 3.47Å; S4-R8 VanDerWaalsContact O-N 3.13Å; H5-R8 PolarHBondContact O-N 3.49Å; R8-S12 PolarHBondContact O-N 3.07Å; R8-S12 VanDerWaalsContact O-N 3.08Å
9K49Very low60.7Low129 Ų12992.2 Ų92.256%0.56150%0.5SS*.Hα-helixtrans-66.8-47.4178-166.6-178.7177.5-169.40111.2H5 A6 A7 I11 S12 E13H5-K9 WeakPolarHBondContact O-CB 3.44Å; H5-K9 PolarHBondContact O-N 3.13Å; A6-K9 PolarHBondContact O-N 2.68Å; A7-K9 VanDerWaalsContact C-N 3.33Å; A7-K9 PolarHBondContact O-N 2.91Å; K9-I11 PolarHBondContact O-N 2.91Å; K9-S12 PolarHBondContact O-N 2.66Å; K9-S12 VanDerWaalsContact O-N 3.13Å; K9-S12 PolarHBondContact O-OG 3.03Å; K9-E13 VanDerWaalsContact CE-OE1 3.27Å; K9-E13 WeakPolarHBondContact CE-OE1 3.45Å; K9-E13 WeakPolarHBondContact O-CG 3.24Å; K9-E13 PolarHBondContact O-N 3.04Å
10C47.5Very low62.4Low61 Ų6193.1 Ų93.141%0.41250%0.5SS..Hα-helixtrans-59.1-45.5176.8-174.60000112.1A6 A7 S12 E13 E14A6-C10 WeakPolarHBondContact O-CB 3.3Å; A6-C10 PolarHBondContact O-N 3.46Å; A7-C10 PolarHBondContact O-N 3.25Å; C10-S12 VanDerWaalsContact C-N 3.31Å; C10-S12 PolarHBondContact O-N 3.3Å; C10-E13 PolarHBondContact O-N 3.45Å; C10-E13 VanDerWaalsContact O-N 3.13Å; C10-E14 PolarHBondContact O-N 3.01Å
11I56Low64Low49 Ų4991.3 Ų91.325%0.25149%0.492SS..Hα-helixtrans-62-38.7175.5-66.6164.7000111.5A7 K9 E13 I15 L303A7-I11 WeakPolarHBondContact O-CD1 3.29Å; A7-I11 VanDerWaalsContact O-CG1 3.24Å; A7-I11 WeakPolarHBondContact O-CG1 3.4Å; A7-I11 PolarHBondContact O-N 3.44Å; K9-I11 PolarHBondContact O-N 2.91Å; I11-E13 VanDerWaalsContact C-N 3.3Å; I11-E13 PolarHBondContact O-N 3Å; I11-I15 HydrophobicContact CG2-CD1 4Å; I11-I15 WeakPolarHBondContact O-CG1 3.38Å; I11-I15 PolarHBondContact O-N 3.49Å; I11-L303 HydrophobicContact CG1-CD2 4.31Å; I11-L303 HydrophobicContact CG2-CB 4.24Å
12S66.6Low66.6Low59 Ų5980.3 Ų80.341%0.41344%0.44SS..Hα-helixtrans-66.7-33.4177.1790000112.6R8 K9 C10 A16R8-S12 PolarHBondContact O-N 3.07Å; R8-S12 VanDerWaalsContact O-N 3.08Å; K9-S12 PolarHBondContact O-N 2.66Å; K9-S12 VanDerWaalsContact O-N 3.13Å; K9-S12 PolarHBondContact O-OG 3.03Å; C10-S12 VanDerWaalsContact C-N 3.31Å; C10-S12 PolarHBondContact O-N 3.3Å; S12-A16 VanDerWaalsContact O-CB 3.27Å; S12-A16 WeakPolarHBondContact O-CB 3.43Å; S12-A16 PolarHBondContact O-N 3.26Å
13E74.2Confident69.3Low102 Ų10280 Ų8048%0.47742%0.422SS..Hα-helixtrans-71.9-45.1178.1-72.3168.9-177.600111K9 C10 I11 I15 A16 E17K9-E13 VanDerWaalsContact CE-OE1 3.27Å; K9-E13 WeakPolarHBondContact CE-OE1 3.45Å; K9-E13 WeakPolarHBondContact O-CG 3.24Å; K9-E13 PolarHBondContact O-N 3.04Å; C10-E13 PolarHBondContact O-N 3.45Å; C10-E13 VanDerWaalsContact O-N 3.13Å; I11-E13 VanDerWaalsContact C-N 3.3Å; I11-E13 PolarHBondContact O-N 3Å; E13-I15 PolarHBondContact O-N 3.23Å; E13-A16 PolarHBondContact O-N 3.45Å; E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 3.26Å
14E79Confident71.9Confident85 Ų8579.8 Ų79.840%0.39741%0.41SS..Hα-helixtrans-59.3-43.9175.7-72.9-174.9-166.400112.3C10 Y18 L303C10-E14 PolarHBondContact O-N 3.01Å; E14-Y18 WeakPolarHBondContact O-CB 3.35Å; E14-Y18 PolarHBondContact O-N 3.34Å; E14-L303 WeakPolarHBondContact OE2-CD2 3.44Å
15I78.7Confident74Confident21 Ų2179.6 Ų79.611%0.10840%0.403CS..Hα-helixtrans-67.8-39.6178-66.2173.1000110.7I11 E13 Y18 L19I11-I15 HydrophobicContact CG2-CD1 4Å; I11-I15 WeakPolarHBondContact O-CG1 3.38Å; I11-I15 PolarHBondContact O-N 3.49Å; E13-I15 PolarHBondContact O-N 3.23Å; I15-Y18 PolarHBondContact O-N 2.94Å; I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 HydrophobicContact CG2-CG 4.38Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.44Å
16A84.1Confident76.5Confident52 Ų5272.6 Ų72.643%0.4337%0.371SS..Hα-helixtrans-64.9-43.8178.400000112S12 E13 Y18 L19 E20S12-A16 VanDerWaalsContact O-CB 3.27Å; S12-A16 WeakPolarHBondContact O-CB 3.43Å; S12-A16 PolarHBondContact O-N 3.26Å; E13-A16 PolarHBondContact O-N 3.45Å; A16-Y18 VanDerWaalsContact C-N 3.34Å; A16-L19 PolarHBondContact O-N 3.12Å; A16-E20 PolarHBondContact O-N 3.35Å
17E89.6Confident79.3Confident138 Ų13873.7 Ų73.765%0.64537%0.367SS*.Hα-helixtrans-63.2-41.2175.6-175.7177.9-174.400111.8E13 L19 E20 T21E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 3.26Å; E17-L19 PolarHBondContact O-N 3.06Å; E17-E20 PolarHBondContact O-N 3.46Å; E17-T21 WeakPolarHBondContact O-CB 3.36Å; E17-T21 PolarHBondContact O-N 2.89Å; E17-T21 PolarHBondContact O-OG1 2.97Å; E17-T21 VanDerWaalsContact O-OG1 3.08Å
18Y91.4Very high81.9Confident75 Ų7576.5 Ų76.529%0.29437%0.372SS..Hα-helixtrans-58.8-46.8173174.5-90.4000111.5E14 I15 A16 E20 T21 A22 F100 F306E14-Y18 WeakPolarHBondContact O-CB 3.35Å; E14-Y18 PolarHBondContact O-N 3.34Å; I15-Y18 PolarHBondContact O-N 2.94Å; A16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-E20 PolarHBondContact O-N 2.97Å; Y18-T21 PolarHBondContact O-N 3.04Å; Y18-A22 HydrophobicContact CE1-CB 4.25Å; Y18-A22 WeakPolarHBondContact O-CB 3.49Å; Y18-A22 PolarHBondContact O-N 3.33Å; Y18-F100 AromaticContact CE1-CD2 3.86Å; Y18-F100 HydrophobicContact CE1-CD2 3.86Å; Y18-F100 AromaticContact CE1-CE2 3.62Å; Y18-F100 HydrophobicContact CE1-CE2 3.62Å; Y18-F100 WeakPolarHBondContact OH-CD2 3.38Å; Y18-F306 HydrophobicContact CD1-CE2 4.49Å; Y18-F306 HydrophobicContact CD1-CZ 4.16Å; Y18-F306 HydrophobicContact CD2-CE1 4.45Å; Y18-F306 AromaticContact CD2-CZ 3.92Å; Y18-F306 HydrophobicContact CD2-CZ 3.92Å; Y18-F306 HydrophobicContact CE1-CE2 4.02Å; Y18-F306 AromaticContact CE1-CZ 3.9Å; Y18-F306 HydrophobicContact CE1-CZ 3.9Å; Y18-F306 HydrophobicContact CE2-CE1 4.48Å; Y18-F306 HydrophobicContact CE2-CE2 4.45Å; Y18-F306 AromaticContact CE2-CZ 3.62Å; Y18-F306 HydrophobicContact CE2-CZ 3.62Å; Y18-F306 HydrophobicContact CG-CZ 4.18Å; Y18-F306 AromaticContact CZ-CE2 3.97Å; Y18-F306 AromaticContact CZ-CZ 3.6Å
19L93Very high84Confident13 Ų1370.4 Ų70.47%0.06835%0.353CS..Hα-helixtrans-64.8-39.4-178.9-73.5175.7000112.6I15 A16 E17 A22 K23 E155 Y156 Y159I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 HydrophobicContact CG2-CG 4.38Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 3.12Å; E17-L19 PolarHBondContact O-N 3.06Å; L19-A22 PolarHBondContact O-N 3.42Å; L19-K23 WeakPolarHBondContact O-CB 3.37Å; L19-K23 PolarHBondContact O-N 3.2Å; L19-E155 HydrophobicContact CD1-CG 4.2Å; L19-Y156 HydrophobicContact CD2-CD2 4.35Å; L19-Y159 VanDerWaalsContact C-CE1 3.47Å; L19-Y159 HydrophobicContact CB-CD1 3.85Å; L19-Y159 HydrophobicContact CB-CD2 4.27Å; L19-Y159 HydrophobicContact CB-CE1 3.84Å; L19-Y159 HydrophobicContact CB-CE2 4.24Å; L19-Y159 HydrophobicContact CB-CG 4.07Å; L19-Y159 HydrophobicContact CD1-CD2 4.15Å; L19-Y159 HydrophobicContact CD1-CG 4.37Å; L19-Y159 HydrophobicContact CD2-CG 4.43Å; L19-Y159 WeakPolarHBondContact O-CD1 3.38Å; L19-Y159 VanDerWaalsContact O-CE1 3.23Å; L19-Y159 WeakPolarHBondContact O-CE1 3.43Å
20E94.9Very high86.2Confident110 Ų11066 Ų6651%0.51433%0.333SS..Hα-helixtrans-64.7-46175.6-171.560.6-137.400111.1A16 E17 Y18 A22 K23 R24 Y159A16-E20 PolarHBondContact O-N 3.35Å; E17-E20 PolarHBondContact O-N 3.46Å; Y18-E20 PolarHBondContact O-N 2.97Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 2.99Å; E20-K23 PolarHBondContact O-N 3.26Å; E20-R24 PolarHBondContact O-N 2.8Å; E20-Y159 PolarHBondContact OE2-OH 3.24Å
21T95.1Very high88.4Confident55 Ų5568.6 Ų68.634%0.33734%0.339SS..Hα-helixtrans-60.7-45175.4-64.70000111.6E17 Y18 K23 R24 N25E17-T21 WeakPolarHBondContact O-CB 3.36Å; E17-T21 PolarHBondContact O-N 2.89Å; E17-T21 PolarHBondContact O-OG1 2.97Å; E17-T21 VanDerWaalsContact O-OG1 3.08Å; Y18-T21 PolarHBondContact O-N 3.04Å; T21-K23 VanDerWaalsContact C-N 3.34Å; T21-K23 PolarHBondContact O-N 2.86Å; T21-R24 PolarHBondContact O-N 2.97Å; T21-N25 VanDerWaalsContact O-CG 3.27Å; T21-N25 PolarHBondContact O-N 3.18Å; T21-N25 PolarHBondContact O-ND2 3.34Å
22A94.4Very high90.1Very high10 Ų1072.1 Ų72.18%0.08335%0.354CS..Hα-helixtrans-59.2-42.8175.200000112.1Y18 L19 E20 N25 Y26 Y156Y18-A22 HydrophobicContact CE1-CB 4.25Å; Y18-A22 WeakPolarHBondContact O-CB 3.49Å; Y18-A22 PolarHBondContact O-N 3.33Å; L19-A22 PolarHBondContact O-N 3.42Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 2.99Å; A22-N25 PolarHBondContact O-N 2.84Å; A22-Y26 VanDerWaalsContact O-CB 3.23Å; A22-Y26 WeakPolarHBondContact O-CB 3.43Å; A22-Y26 PolarHBondContact O-N 3.14Å; A22-Y156 HydrophobicContact CB-CD2 4.23Å; A22-Y156 HydrophobicContact CB-CE2 3.72Å
23K96Very high91.1Very high51 Ų5171.4 Ų71.422%0.22235%0.348CS..Hα-helixtrans-64.9-43.8177.8-173.1167.4-172.9153.90112.2L19 E20 T21 Y26 L27 Y159 L160 D161L19-K23 WeakPolarHBondContact O-CB 3.37Å; L19-K23 PolarHBondContact O-N 3.2Å; E20-K23 PolarHBondContact O-N 3.26Å; T21-K23 VanDerWaalsContact C-N 3.34Å; T21-K23 PolarHBondContact O-N 2.86Å; K23-Y26 PolarHBondContact O-N 2.81Å; K23-L27 HydrophobicContact CG-CD1 4.31Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.1Å; K23-Y159 HydrophobicContact CB-CD1 3.93Å; K23-Y159 HydrophobicContact CB-CE1 3.79Å; K23-Y159 HydrophobicContact CD-CD1 3.88Å; K23-Y159 HydrophobicContact CD-CE1 3.69Å; K23-Y159 HydrophobicContact CG-CD1 4.44Å; K23-Y159 HydrophobicContact CG-CE1 4.38Å; K23-Y159 PolarHBondContact NZ-O 3.39Å; K23-L160 VanDerWaalsContact CA-CD2 3.47Å; K23-L160 HydrophobicContact CB-CD2 3.84Å; K23-L160 HydrophobicContact CG-CD2 3.96Å; K23-D161 IonicContact NZ-OD2 2.68Å; K23-D161 PolarHBondContact NZ-OD2 3.08Å
24R96.4Very high91.5Very high142 Ų14271.4 Ų71.454%0.53636%0.355SS..Hα-helixtrans-59.6-48.4174.8-174.3-179.152.959.94.9111.5E20 T21 Y26 L27 E28E20-R24 PolarHBondContact O-N 2.8Å; T21-R24 PolarHBondContact O-N 2.97Å; R24-Y26 VanDerWaalsContact C-N 3.34Å; R24-Y26 PolarHBondContact O-N 3.26Å; R24-L27 PolarHBondContact O-N 2.88Å; R24-E28 PolarHBondContact O-N 3.05Å; R24-E28 VanDerWaalsContact O-N 3.08Å
25N95.7Very high91.4Very high70 Ų7075.5 Ų75.537%0.37437%0.371SS..Hα-helixtrans-64.4-39.3178.5-68.2-14.4000112.1T21 A22 E28 N29T21-N25 VanDerWaalsContact O-CG 3.27Å; T21-N25 PolarHBondContact O-N 3.18Å; T21-N25 PolarHBondContact O-ND2 3.34Å; A22-N25 PolarHBondContact O-N 2.84Å; N25-E28 PolarHBondContact O-N 3.22Å; N25-N29 WeakPolarHBondContact O-CB 3.38Å; N25-N29 PolarHBondContact O-N 3.29Å; N25-N29 PolarHBondContact O-ND2 3.47Å
26Y96.7Very high91.5Very high2 Ų279.3 Ų79.31%0.00839%0.387CS..Hα-helixtrans-59.9-49.5175.3171.8-97.2000111.5A22 K23 R24 E28 N29 Y30 A97 V98 L160 L162 H190A22-Y26 VanDerWaalsContact O-CB 3.23Å; A22-Y26 WeakPolarHBondContact O-CB 3.43Å; A22-Y26 PolarHBondContact O-N 3.14Å; K23-Y26 PolarHBondContact O-N 2.81Å; R24-Y26 VanDerWaalsContact C-N 3.34Å; R24-Y26 PolarHBondContact O-N 3.26Å; Y26-E28 VanDerWaalsContact C-N 3.34Å; Y26-E28 PolarHBondContact O-N 3.09Å; Y26-N29 PolarHBondContact O-N 2.93Å; Y26-Y30 HydrophobicContact CE2-CD2 4.49Å; Y26-Y30 AromaticContact CZ-CD2 3.99Å; Y26-Y30 WeakPolarHBondContact O-CB 3.3Å; Y26-Y30 PolarHBondContact O-N 3.12Å; Y26-A97 HydrophobicContact CD2-CB 3.54Å; Y26-A97 WeakPolarHBondContact CD2-O 3.29Å; Y26-A97 HydrophobicContact CE2-CB 3.48Å; Y26-A97 VanDerWaalsContact CE2-CB 3.48Å; Y26-A97 HydrophobicContact CG-CB 4.43Å; Y26-V98 HydrophobicContact CD2-CG1 4.12Å; Y26-V98 HydrophobicContact CE2-CG1 3.79Å; Y26-L160 HydrophobicContact CD1-CB 4.21Å; Y26-L160 HydrophobicContact CD1-CD1 4.18Å; Y26-L160 HydrophobicContact CD1-CD2 3.86Å; Y26-L160 HydrophobicContact CD1-CG 4.3Å; Y26-L160 HydrophobicContact CD2-CD1 3.54Å; Y26-L160 HydrophobicContact CD2-CG 4.5Å; Y26-L160 HydrophobicContact CE1-CB 4.23Å; Y26-L160 HydrophobicContact CE2-CD1 3.99Å; Y26-L160 HydrophobicContact CG-CB 4.5Å; Y26-L160 HydrophobicContact CG-CD1 3.64Å; Y26-L160 HydrophobicContact CG-CD2 3.76Å; Y26-L160 HydrophobicContact CG-CG 4.16Å; Y26-L162 HydrophobicContact CE2-CD1 4.06Å; Y26-H190 AromaticContact CE1-NE2 3.57Å; Y26-H190 AromaticContact CZ-CE1 3.97Å; Y26-H190 AromaticContact CZ-NE2 3.57Å; Y26-H190 PolarHBondContact OH-CE1 2.98Å; Y26-H190 PolarHBondContact OH-NE2 3.48Å
27L95.9Very high91.4Very high89 Ų8982 Ų8247%0.46640%0.4SS..Hα-helixtrans-61.4-43.5179.8-69.8172.3000111.6K23 R24 Y30 E31K23-L27 HydrophobicContact CG-CD1 4.31Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.1Å; R24-L27 PolarHBondContact O-N 2.88Å; L27-Y30 PolarHBondContact O-N 3.29Å; L27-E31 PolarHBondContact O-N 3.43Å
28E96.1Very high91.5Very high111 Ų11176.3 Ų76.352%0.51938%0.376SS..Hα-helixtrans-58.9-51.7175.1-176.665.7-168.400111.3R24 N25 Y26 Y30 E31 H32R24-E28 PolarHBondContact O-N 3.05Å; R24-E28 VanDerWaalsContact O-N 3.08Å; N25-E28 PolarHBondContact O-N 3.22Å; Y26-E28 VanDerWaalsContact C-N 3.34Å; Y26-E28 PolarHBondContact O-N 3.09Å; E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 PolarHBondContact O-N 2.87Å; E28-E31 PolarHBondContact O-N 3.3Å; E28-H32 WeakPolarHBondContact O-CA 3.18Å; E28-H32 WeakPolarHBondContact O-CB 3.26Å; E28-H32 PolarHBondContact O-N 3.08Å; E28-H32 IonicContact OE1-CD2 3.66Å; E28-H32 IonicContact OE2-CD2 3.69Å
29N94.4Very high91.6Very high55 Ų5575 Ų7529%0.29438%0.379SS..Hα-helixtrans-67.1-28.3179.8-68.4-24.9000112.8N25 Y26 H32 P33 A97N25-N29 WeakPolarHBondContact O-CB 3.38Å; N25-N29 PolarHBondContact O-N 3.29Å; N25-N29 PolarHBondContact O-ND2 3.47Å; Y26-N29 PolarHBondContact O-N 2.93Å; N29-H32 CarbonylContact O-C 3.46Å; N29-P33 VanDerWaalsContact O-CA 3.24Å; N29-P33 WeakPolarHBondContact O-CA 3.02Å; N29-A97 HydrophobicContact CB-CB 4.07Å
30Y94.3Very high91.7Very high36 Ų3675.8 Ų75.814%0.14138%0.382CS..Hα-helixtrans-75.3-36.8179.1-171.6-93000112.3Y26 L27 E28 R93 I94 A97 H190Y26-Y30 HydrophobicContact CE2-CD2 4.49Å; Y26-Y30 AromaticContact CZ-CD2 3.99Å; Y26-Y30 WeakPolarHBondContact O-CB 3.3Å; Y26-Y30 PolarHBondContact O-N 3.12Å; L27-Y30 PolarHBondContact O-N 3.29Å; E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 PolarHBondContact O-N 2.87Å; Y30-R93 HydrophobicContact CD2-CG 3.84Å; Y30-R93 HydrophobicContact CE2-CB 4.19Å; Y30-R93 HydrophobicContact CE2-CG 3.54Å; Y30-R93 VanDerWaalsContact O-CZ 3.32Å; Y30-R93 PolarHBondContact O-NE 3.01Å; Y30-R93 PolarHBondContact O-NH2 3.03Å; Y30-I94 HydrophobicContact CE2-CG1 4.35Å; Y30-A97 HydrophobicContact CD2-CB 4.11Å; Y30-H190 AromaticContact CE2-CE1 3.43Å; Y30-H190 VanDerWaalsContact CE2-CE1 3.43Å; Y30-H190 WeakPolarHBondContact CE2-CE1 3.28Å; Y30-H190 AromaticContact CZ-CE1 3.49Å; Y30-H190 VanDerWaalsContact CZ-CE1 3.49Å
31E93.4Very high91.8Very high115 Ų11576.7 Ų76.754%0.53739%0.391SS..Hα-helixtrans-83.5-33.7175-66.5-58162.500112.7L27 E28 P33 R93L27-E31 PolarHBondContact O-N 3.43Å; E28-E31 PolarHBondContact O-N 3.3Å; E31-P33 VanDerWaalsContact C-CD 3.41Å; E31-P33 VanDerWaalsContact O-CD 3.29Å; E31-P33 WeakPolarHBondContact O-CD 3.36Å; E31-R93 IonicContact OE2-NH2 2.71Å; E31-R93 PolarHBondContact OE2-NH2 2.96Å
32H92.4Very high91.9Very high123 Ų12376.8 Ų76.857%0.56939%0.388SS*.SBendtrans-122.567.2-177.8-58.1-49.3000111.4E28 N29 V34E28-H32 WeakPolarHBondContact O-CA 3.18Å; E28-H32 WeakPolarHBondContact O-CB 3.26Å; E28-H32 PolarHBondContact O-N 3.08Å; E28-H32 IonicContact OE1-CD2 3.66Å; E28-H32 IonicContact OE2-CD2 3.69Å; N29-H32 CarbonylContact O-C 3.46Å; H32-V34 PolarHBondContact O-N 3.46Å
33P86.8Confident92Very high44 Ų4476.6 Ų76.629%0.28639%0.385SS..PPolyproline II helixtrans-65.2122.4-175.726.1-34.3000111.5N29 E31 K35N29-P33 VanDerWaalsContact O-CA 3.24Å; N29-P33 WeakPolarHBondContact O-CA 3.02Å; E31-P33 VanDerWaalsContact C-CD 3.41Å; E31-P33 VanDerWaalsContact O-CD 3.29Å; E31-P33 WeakPolarHBondContact O-CD 3.36Å; P33-K35 PolarHBondContact O-N 3.25Å
34V83.4Confident92.1Very high102 Ų10279.7 Ų79.762%0.61840%0.398SS*.PPolyproline II helixtrans-66.3117.2173.5-1780000109H32 K36H32-V34 PolarHBondContact O-N 3.46Å; V34-K36 PolarHBondContact O-N 3.37Å
35K78Confident92.1Very high172 Ų17276.7 Ų76.775%0.74839%0.39SS*.PPolyproline II helixtrans-80.6116.3173.7-65.5-176.2-178.2-1790109P33 P37P33-K35 PolarHBondContact O-N 3.25Å; K35-P37 VanDerWaalsContact C-CD 3.45Å; K35-P37 WeakPolarHBondContact O-CD 3.31Å
36K80.7Confident92.1Very high100 Ų10076.4 Ų76.444%0.43539%0.389SS..  trans-103.780.9164.1-70177176.9177.50108.3V34 E107 Y108V34-K36 PolarHBondContact O-N 3.37Å; K36-E107 WeakPolarHBondContact CD-O 3.06Å; K36-E107 IonicContact NZ-OE2 2.94Å; K36-E107 PolarHBondContact NZ-OE2 3.48Å; K36-Y108 HydrophobicContact CB-CD1 4.39Å
37P80.9Confident92Very high110 Ų11078.6 Ų78.671%0.71440%0.397SS*.  trans-64.7143.3-179.229.4-35000109.7K35K35-P37 VanDerWaalsContact C-CD 3.45Å; K35-P37 WeakPolarHBondContact O-CD 3.31Å
38A91.4Very high92.1Very high17 Ų1774.4 Ų74.414%0.1438%0.375CS..  trans-148.3170.3171.100000108.7E42 F43 Y108 F110A38-E42 WeakPolarHBondContact CA-OE1 3.43Å; A38-F43 HydrophobicContact CB-CE2 3.93Å; A38-F43 HydrophobicContact CB-CZ 4.29Å; A38-Y108 HydrophobicContact CB-CD1 3.83Å; A38-Y108 HydrophobicContact CB-CE1 4.47Å; A38-Y108 HydrophobicContact CB-CG 4.35Å; A38-F110 HydrophobicContact CB-CD1 3.83Å; A38-F110 HydrophobicContact CB-CE1 4.08Å; A38-F110 HydrophobicContact CB-CG 4.44Å; A38-F110 WeakPolarHBondContact O-CB 3.35Å; A38-F110 WeakPolarHBondContact O-CD2 3.44Å; A38-F110 WeakPolarHBondContact O-CG 3.46Å
39S94.5Very high92Very high49 Ų4969.6 Ų69.634%0.34335%0.353SS..  trans-125.2155.4173.664.40000110.4D41 E42 F43S39-D41 PolarHBondContact O-N 3.36Å; S39-E42 PolarHBondContact N-OE1 3.32Å; S39-E42 WeakPolarHBondContact O-CB 3.43Å; S39-E42 PolarHBondContact O-N 3.32Å; S39-E42 VanDerWaalsContact O-N 3.12Å; S39-E42 PolarHBondContact OG-OE1 2.89Å; S39-F43 VanDerWaalsContact O-CD2 3.27Å; S39-F43 WeakPolarHBondContact O-CD2 3.44Å; S39-F43 WeakPolarHBondContact O-CE2 3.39Å
40L95.3Very high92Very high28 Ų2867.6 Ų67.615%0.14735%0.345CS..G310 helixtrans-59.4-30.2179.1-176.462.1000112.1E42 F43 Q45 L71 F110 F117 L335L40-E42 PolarHBondContact O-N 3.4Å; L40-F43 PolarHBondContact O-N 2.81Å; L40-F43 VanDerWaalsContact O-N 3.11Å; L40-Q45 HydrophobicContact CD1-CG 4.49Å; L40-L71 HydrophobicContact CD1-CD2 3.79Å; L40-F110 HydrophobicContact CB-CE2 4.15Å; L40-F117 HydrophobicContact CB-CZ 4.45Å; L40-F117 HydrophobicContact CD1-CD1 4.42Å; L40-F117 HydrophobicContact CD1-CE1 3.88Å; L40-F117 HydrophobicContact CD1-CZ 4.42Å; L40-F117 HydrophobicContact CD2-CE1 4.18Å; L40-F117 HydrophobicContact CD2-CZ 4.03Å; L40-F117 HydrophobicContact CG-CE1 4.47Å; L40-L335 HydrophobicContact CD2-CD1 3.75Å
41D95.6Very high91.9Very high129 Ų12970.3 Ų70.369%0.6937%0.365SS*.G310 helixtrans-70.2-15-179-68.6-35.6000113.6S39 F43 K63S39-D41 PolarHBondContact O-N 3.36Å; D41-F43 PolarHBondContact O-N 2.66Å; D41-K63 WeakPolarHBondContact O-CD 3.32Å; D41-K63 WeakPolarHBondContact O-CE 3.29Å; D41-K63 PolarHBondContact O-NZ 3.23Å
42E97Very high91.4Very high58 Ų5867 Ų6727%0.27136%0.363SS..G310 helixtrans-76.9-9.9173-69.4171.7-95.800112.6A38 S39 L40 K63A38-E42 WeakPolarHBondContact CA-OE1 3.43Å; S39-E42 PolarHBondContact N-OE1 3.32Å; S39-E42 WeakPolarHBondContact O-CB 3.43Å; S39-E42 PolarHBondContact O-N 3.32Å; S39-E42 VanDerWaalsContact O-N 3.12Å; S39-E42 PolarHBondContact OG-OE1 2.89Å; L40-E42 PolarHBondContact O-N 3.4Å; E42-K63 WeakPolarHBondContact O-CB 3.48Å; E42-K63 VanDerWaalsContact O-CG 3.31Å; E42-K63 WeakPolarHBondContact O-CG 3.34Å; E42-K63 PolarHBondContact O-N 3.24Å
43F97.4Very high91Very high6 Ų664.8 Ų64.83%0.02636%0.361CS..EExtended strand (participates in β ladder)trans-114.9135.9-176.3-60-85.3000111.8A38 S39 L40 D41 V60 Q61 H62 F69 Y108 F110A38-F43 HydrophobicContact CB-CE2 3.93Å; A38-F43 HydrophobicContact CB-CZ 4.29Å; S39-F43 VanDerWaalsContact O-CD2 3.27Å; S39-F43 WeakPolarHBondContact O-CD2 3.44Å; S39-F43 WeakPolarHBondContact O-CE2 3.39Å; L40-F43 PolarHBondContact O-N 2.81Å; L40-F43 VanDerWaalsContact O-N 3.11Å; D41-F43 PolarHBondContact O-N 2.66Å; F43-V60 HydrophobicContact CB-CB 4.04Å; F43-V60 HydrophobicContact CB-CG2 4.19Å; F43-V60 HydrophobicContact CD1-CB 4.34Å; F43-V60 HydrophobicContact CD1-CG2 3.65Å; F43-V60 HydrophobicContact CE1-CG2 4.37Å; F43-V60 HydrophobicContact CG-CG2 4.12Å; F43-Q61 CarbonylContact C-O 3.55Å; F43-Q61 WeakPolarHBondContact CA-O 3.38Å; F43-H62 HydrophobicContact CD1-CB 4.01Å; F43-H62 HydrophobicContact CE1-CB 3.9Å; F43-H62 AromaticContact CE1-CD2 3.71Å; F43-H62 AromaticContact CZ-CD2 3.93Å; F43-F69 AromaticContact CE1-CD2 3.97Å; F43-F69 HydrophobicContact CE1-CD2 3.97Å; F43-F69 HydrophobicContact CE1-CE2 4.42Å; F43-Y108 HydrophobicContact CE1-CD2 4.28Å; F43-Y108 HydrophobicContact CE1-CE2 4.21Å; F43-Y108 AromaticContact CZ-CD2 3.87Å; F43-Y108 HydrophobicContact CZ-CD2 3.87Å; F43-Y108 HydrophobicContact CZ-CE2 4.06Å; F43-Y108 HydrophobicContact CZ-CG 4.13Å; F43-F110 HydrophobicContact CD2-CZ 4.19Å; F43-F110 AromaticContact CE2-CE1 3.86Å; F43-F110 HydrophobicContact CE2-CE1 3.86Å; F43-F110 AromaticContact CE2-CZ 3.94Å; F43-F110 HydrophobicContact CE2-CZ 3.94Å
44K97.4Very high91Very high116 Ų11663.7 Ų63.750%0.50435%0.352SS..EExtended strand (participates in β ladder)trans-84.2115.6163.9-177.8-178.6178.1-176.30108.1L46 V60 Q61K44-L46 HydrophobicContact CD-CD2 3.9Å; K44-L46 HydrophobicContact CG-CD2 3.96Å; K44-V60 CarbonylContact O-C 3.58Å; K44-V60 VanDerWaalsContact O-CA 3.28Å; K44-V60 WeakPolarHBondContact O-CA 3.45Å; K44-Q61 HydrophobicContact CB-CB 4.46Å; K44-Q61 PolarHBondContact N-O 3.22Å; K44-Q61 PolarHBondContact O-N 2.93Å
45Q96.4Very high91.4Very high79 Ų7960.2 Ų60.237%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-73.7128.8174.1-65.7170.351.800109.5L40 M58 V60L40-Q45 HydrophobicContact CD1-CG 4.49Å; Q45-M58 HydrophobicContact CB-CE 3.89Å; Q45-M58 HydrophobicContact CG-CE 4.3Å; Q45-V60 HydrophobicContact CG-CG1 4.35Å
46L95.9Very high92.2Very high64 Ų6453.8 Ų53.834%0.33531%0.307SS..EExtended strand (participates in β ladder)trans-110.1-62.4-174.9-61.3175.6000112K44 L59 Q61 F68K44-L46 HydrophobicContact CD-CD2 3.9Å; K44-L46 HydrophobicContact CG-CD2 3.96Å; L46-L59 HydrophobicContact CB-CB 4.49Å; L46-L59 HydrophobicContact CB-CG 4.32Å; L46-L59 WeakPolarHBondContact CB-O 3.45Å; L46-L59 HydrophobicContact CD1-CD2 4.19Å; L46-L59 HydrophobicContact CD1-CG 4.05Å; L46-L59 PolarHBondContact N-O 3.46Å; L46-Q61 HydrophobicContact CD1-CB 4.07Å; L46-F68 HydrophobicContact CD1-CD1 3.91Å; L46-F68 HydrophobicContact CD1-CE1 3.54Å
47R95.5Very high92.9Very high48 Ų4850.8 Ų50.818%0.18130%0.297CS..EExtended strand (participates in β ladder)trans-160.3162.9178.964.3177.3-76.3-163.2-8.2112.3M58 L59 A324 F327 E328 E332R47-M58 CarbonylContact O-C 3.55Å; R47-M58 VanDerWaalsContact O-CA 3.3Å; R47-M58 WeakPolarHBondContact O-CA 3.47Å; R47-L59 HydrophobicContact CG-CB 4.21Å; R47-L59 PolarHBondContact N-O 3.01Å; R47-L59 PolarHBondContact O-N 2.87Å; R47-A324 HydrophobicContact CG-CB 4.47Å; R47-A324 PolarHBondContact NH1-O 3.16Å; R47-F327 PolarHBondContact NH2-O 3.48Å; R47-E328 PolarHBondContact NH2-O 2.78Å; R47-E332 VanDerWaalsContact CA-OE1 3.27Å; R47-E332 WeakPolarHBondContact CA-OE1 3.47Å; R47-E332 WeakPolarHBondContact CB-OE1 3.16Å
48T96.7Very high93.7Very high1 Ų145.9 Ų45.91%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-76.5132.5171.1-61.40000110.3G50 T51 R56 Y330 E332T48-G50 WeakPolarHBondContact CG2-O 3.18Å; T48-T51 HydrophobicContact CG2-CG2 4.37Å; T48-R56 HydrophobicContact CG2-CB 4.3Å; T48-Y330 HydrophobicContact CG2-CD2 4.15Å; T48-Y330 HydrophobicContact CG2-CG 3.9Å; T48-E332 WeakPolarHBondContact CB-OE2 3.07Å; T48-E332 PolarHBondContact N-OE1 3.05Å; T48-E332 PolarHBondContact N-OE2 3.26Å; T48-E332 PolarHBondContact OG1-OE2 3.35Å
49L95.3Very high94Very high10 Ų1045.2 Ų45.25%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-98.9-27.9175.7-65.2173.5000112V57 L59 A70 Y122 A324 F327 Y330L49-V57 HydrophobicContact CB-CG1 4.37Å; L49-V57 HydrophobicContact CD1-CG1 4.34Å; L49-V57 PolarHBondContact N-O 3.47Å; L49-L59 HydrophobicContact CD1-CB 3.93Å; L49-L59 HydrophobicContact CD2-CB 4.02Å; L49-L59 HydrophobicContact CG-CB 3.9Å; L49-A70 HydrophobicContact CD1-CB 4.06Å; L49-Y122 HydrophobicContact CD1-CD2 3.81Å; L49-Y122 HydrophobicContact CD1-CE2 3.54Å; L49-Y122 HydrophobicContact CD2-CE2 3.96Å; L49-Y122 HydrophobicContact CG-CE2 4.42Å; L49-A324 HydrophobicContact CD2-CB 4Å; L49-F327 HydrophobicContact CB-CD1 4.22Å; L49-F327 HydrophobicContact CD2-CB 4.1Å; L49-F327 HydrophobicContact CD2-CD1 4.04Å; L49-F327 HydrophobicContact CD2-CD2 3.8Å; L49-F327 HydrophobicContact CD2-CE1 4.4Å; L49-F327 HydrophobicContact CD2-CE2 4.18Å; L49-F327 HydrophobicContact CD2-CG 3.71Å; L49-F327 HydrophobicContact CD2-CZ 4.45Å; L49-Y330 VanDerWaalsContact O-CE2 3.3Å; L49-Y330 WeakPolarHBondContact O-CE2 3Å
50G93.5Very high94.2Very high13 Ų1342.9 Ų42.913%0.13424%0.243CC..EExtended strand (participates in β ladder)trans-172.1162.618000000112.4T48 R56 V57T48-G50 WeakPolarHBondContact CG2-O 3.18Å; G50-R56 WeakPolarHBondContact O-CA 3.22Å; G50-V57 PolarHBondContact N-O 3.49Å; G50-V57 PolarHBondContact O-N 3.44Å
51T92.1Very high94.3Very high92 Ų9243.7 Ų43.756%0.56425%0.246SC*.EExtended strand (participates in β ladder)trans-118.8130.4176.755.70000110.2T48 Y330T48-T51 HydrophobicContact CG2-CG2 4.37Å; T51-Y330 HydrophobicContact CG2-CD1 3.81Å; T51-Y330 HydrophobicContact CG2-CE1 4.12Å
52G83.9Confident94.4Very high47 Ų4738.1 Ų38.149%0.48522%0.216SC..EExtended strand (participates in β ladder)trans-113.9177.3-179.900000112.8F54 G55G52-F54 VanDerWaalsContact C-N 3.25Å; G52-F54 PolarHBondContact O-N 3.05Å; G52-G55 PolarHBondContact N-O 2.59Å; G52-G55 PolarHBondContact O-N 2.73Å; G52-G55 VanDerWaalsContact O-O 3.12Å
53S83.7Confident94.4Very high76 Ų7641.4 Ų41.453%0.53123%0.229SC..THydrogen-bonded Turntrans-55.9-36.4179.757.50000113.2K78S53-K78 WeakPolarHBondContact O-CD 3.4Å; S53-K78 WeakPolarHBondContact O-CE 3.2Å; S53-K78 PolarHBondContact O-NZ 3.34Å
54F86.8Confident94.3Very high21 Ų2149.5 Ų49.59%0.09226%0.264CS..THydrogen-bonded Turntrans-106.5-2.7-176.4-47.8-60.5000114.8G52 L74 D75 I79 L82 Q84G52-F54 VanDerWaalsContact C-N 3.25Å; G52-F54 PolarHBondContact O-N 3.05Å; F54-L74 HydrophobicContact CB-CB 4.44Å; F54-L74 HydrophobicContact CB-CD2 3.91Å; F54-L74 HydrophobicContact CD2-CD2 4.42Å; F54-D75 PolarHBondContact O-N 2.91Å; F54-I79 HydrophobicContact CB-CG1 4.16Å; F54-I79 HydrophobicContact CD1-CG1 4.24Å; F54-I79 HydrophobicContact CG-CG1 4.1Å; F54-L82 HydrophobicContact CD1-CD1 3.91Å; F54-L82 HydrophobicContact CE1-CB 4.29Å; F54-L82 HydrophobicContact CE1-CD1 3.61Å; F54-Q84 HydrophobicContact CE1-CB 4.07Å; F54-Q84 HydrophobicContact CE1-CG 3.91Å; F54-Q84 HydrophobicContact CZ-CB 3.83Å; F54-Q84 HydrophobicContact CZ-CG 3.69Å
55G90.9Very high94.3Very high29 Ų2947.2 Ų47.230%0.29926%0.26SS..EExtended strand (participates in β ladder)trans165.4-133.8-175.300000113.1G52 I73G52-G55 PolarHBondContact N-O 2.59Å; G52-G55 PolarHBondContact O-N 2.73Å; G52-G55 VanDerWaalsContact O-O 3.12Å; G55-I73 WeakPolarHBondContact CA-O 3.47Å
56R95.4Very high94.3Very high36 Ų3646.8 Ų46.814%0.13627%0.266CS..EExtended strand (participates in β ladder)trans-143.5160.7-173.468.7-175.668.3-160.4-3112.4T48 G50 M58 I73 E333T48-R56 HydrophobicContact CG2-CB 4.3Å; G50-R56 WeakPolarHBondContact O-CA 3.22Å; R56-M58 HydrophobicContact CG-CG 3.95Å; R56-M58 HydrophobicContact CG-SD 4.34Å; R56-I73 HydrophobicContact CG-CB 4.4Å; R56-I73 HydrophobicContact CG-CD1 4.22Å; R56-I73 PolarHBondContact N-O 3.5Å; R56-I73 VanDerWaalsContact N-O 3.09Å; R56-I73 PolarHBondContact O-N 3.01Å; R56-E333 IonicContact CZ-OE2 3.49Å; R56-E333 VanDerWaalsContact NH1-N 3.17Å; R56-E333 PolarHBondContact NH1-O 2.79Å; R56-E333 IonicContact NH2-OE2 3.9Å; R56-E333 PolarHBondContact NH2-OE2 3.38Å
57V96.2Very high94.3Very high37 Ų3748 Ų4822%0.22427%0.273CS..EExtended strand (participates in β ladder)trans-107.7124.6168.6-175.20000107.6L49 G50 A70 L71 K72L49-V57 HydrophobicContact CB-CG1 4.37Å; L49-V57 HydrophobicContact CD1-CG1 4.34Å; L49-V57 PolarHBondContact N-O 3.47Å; G50-V57 PolarHBondContact N-O 3.49Å; G50-V57 PolarHBondContact O-N 3.44Å; V57-A70 HydrophobicContact CG1-CB 3.86Å; V57-L71 CarbonylContact C-O 3.58Å; V57-L71 WeakPolarHBondContact CA-O 3.44Å; V57-K72 HydrophobicContact CG2-CB 4.25Å; V57-K72 HydrophobicContact CG2-CG 4.13Å
58M96.7Very high94.4Very high8 Ų847.8 Ų47.84%0.03927%0.273CS..EExtended strand (participates in β ladder)trans-116137.4179.2-69.7-177.773.400111Q45 R47 R56 V60 A70 L71 I73Q45-M58 HydrophobicContact CB-CE 3.89Å; Q45-M58 HydrophobicContact CG-CE 4.3Å; R47-M58 CarbonylContact O-C 3.55Å; R47-M58 VanDerWaalsContact O-CA 3.3Å; R47-M58 WeakPolarHBondContact O-CA 3.47Å; R56-M58 HydrophobicContact CG-CG 3.95Å; R56-M58 HydrophobicContact CG-SD 4.34Å; M58-V60 HydrophobicContact CB-CG1 4.28Å; M58-V60 PolarHBondContact O-N 2.95Å; M58-A70 CarbonylContact O-C 3.57Å; M58-L71 PolarHBondContact N-O 3.49Å; M58-L71 PolarHBondContact O-N 3.12Å; M58-I73 HydrophobicContact CB-CD1 4.14Å; M58-I73 HydrophobicContact CG-CD1 3.81Å; M58-I73 HydrophobicContact SD-CD1 3.42Å; M58-I73 WeakPolarHBondContact SD-CD1 3.38Å
59L97.7Very high94.5Very high3 Ų348.5 Ų48.52%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-67.8125.1162.4-179.959.1000108.6L46 R47 L49 F68 Y122 G322 A324L46-L59 HydrophobicContact CB-CB 4.49Å; L46-L59 HydrophobicContact CB-CG 4.32Å; L46-L59 WeakPolarHBondContact CB-O 3.45Å; L46-L59 HydrophobicContact CD1-CD2 4.19Å; L46-L59 HydrophobicContact CD1-CG 4.05Å; L46-L59 PolarHBondContact N-O 3.46Å; R47-L59 HydrophobicContact CG-CB 4.21Å; R47-L59 PolarHBondContact N-O 3.01Å; R47-L59 PolarHBondContact O-N 2.87Å; L49-L59 HydrophobicContact CD1-CB 3.93Å; L49-L59 HydrophobicContact CD2-CB 4.02Å; L49-L59 HydrophobicContact CG-CB 3.9Å; L59-F68 HydrophobicContact CD1-CB 4.1Å; L59-F68 HydrophobicContact CD1-CD1 3.97Å; L59-F68 HydrophobicContact CG-CD1 4.39Å; L59-Y122 HydrophobicContact CD1-CD1 3.69Å; L59-Y122 HydrophobicContact CD1-CD2 3.76Å; L59-Y122 HydrophobicContact CD1-CE1 3.73Å; L59-Y122 HydrophobicContact CD1-CE2 3.83Å; L59-Y122 HydrophobicContact CD1-CG 3.7Å; L59-Y122 HydrophobicContact CD2-CE1 4.4Å; L59-G322 WeakPolarHBondContact CD2-O 3.47Å; L59-A324 HydrophobicContact CD2-CB 4.03Å
60V97.9Very high94.6Very high0 Ų048.5 Ų48.50%028%0.278CS..EExtended strand (participates in β ladder)trans-130153.6175.7-55.90000110.7F43 K44 Q45 M58 F68 F69 L71F43-V60 HydrophobicContact CB-CB 4.04Å; F43-V60 HydrophobicContact CB-CG2 4.19Å; F43-V60 HydrophobicContact CD1-CB 4.34Å; F43-V60 HydrophobicContact CD1-CG2 3.65Å; F43-V60 HydrophobicContact CE1-CG2 4.37Å; F43-V60 HydrophobicContact CG-CG2 4.12Å; K44-V60 CarbonylContact O-C 3.58Å; K44-V60 VanDerWaalsContact O-CA 3.28Å; K44-V60 WeakPolarHBondContact O-CA 3.45Å; Q45-V60 HydrophobicContact CG-CG1 4.35Å; M58-V60 HydrophobicContact CB-CG1 4.28Å; M58-V60 PolarHBondContact O-N 2.95Å; V60-F68 WeakPolarHBondContact O-CA 3.36Å; V60-F69 HydrophobicContact CG2-CB 3.94Å; V60-F69 PolarHBondContact N-O 3.39Å; V60-F69 PolarHBondContact O-N 3.36Å; V60-L71 HydrophobicContact CG1-CB 3.77Å; V60-L71 HydrophobicContact CG1-CD2 3.92Å; V60-L71 HydrophobicContact CG2-CB 3.9Å; V60-L71 HydrophobicContact CG2-CD2 4.48Å
61Q98.1Very high94.8Very high44 Ų4447.9 Ų47.921%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-116.6124.6173-171-177.928.200109.5F43 K44 L46 K63 S66 N67 F68F43-Q61 CarbonylContact C-O 3.55Å; F43-Q61 WeakPolarHBondContact CA-O 3.38Å; K44-Q61 HydrophobicContact CB-CB 4.46Å; K44-Q61 PolarHBondContact N-O 3.22Å; K44-Q61 PolarHBondContact O-N 2.93Å; L46-Q61 HydrophobicContact CD1-CB 4.07Å; Q61-K63 PolarHBondContact O-N 3.3Å; Q61-S66 WeakPolarHBondContact CG-O 3.37Å; Q61-S66 PolarHBondContact NE2-O 3.3Å; Q61-N67 CarbonylContact C-O 3.56Å; Q61-N67 WeakPolarHBondContact CA-O 3.21Å; Q61-F68 HydrophobicContact CB-CD1 4.06Å; Q61-F68 HydrophobicContact CB-CE1 3.94Å; Q61-F68 HydrophobicContact CB-CZ 4.48Å; Q61-F68 HydrophobicContact CG-CD1 4.27Å; Q61-F68 HydrophobicContact CG-CE1 3.99Å; Q61-F68 HydrophobicContact CG-CE2 4.36Å; Q61-F68 HydrophobicContact CG-CZ 4.04Å
62H97.5Very high95Very high13 Ų1345 Ų456%0.0625%0.251CS..EExtended strand (participates in β ladder)trans-68.7124.1175.1-176.9-103.9000110F43 K64 T65 S66 N67 F69F43-H62 HydrophobicContact CD1-CB 4.01Å; F43-H62 HydrophobicContact CE1-CB 3.9Å; F43-H62 AromaticContact CE1-CD2 3.71Å; F43-H62 AromaticContact CZ-CD2 3.93Å; H62-K64 VanDerWaalsContact C-N 3.34Å; H62-K64 PolarHBondContact O-N 3.14Å; H62-T65 PolarHBondContact ND1-N 2.85Å; H62-T65 PolarHBondContact ND1-OG1 3.26Å; H62-S66 VanDerWaalsContact O-CA 3.23Å; H62-S66 WeakPolarHBondContact O-CA 3.23Å; H62-S66 PolarHBondContact O-N 3.48Å; H62-N67 PolarHBondContact N-O 3.07Å; H62-F69 HydrophobicContact CB-CD2 4.29Å; H62-F69 HydrophobicContact CB-CE2 3.85Å
63K97.6Very high95.6Very high127 Ų12742.8 Ų42.855%0.55223%0.228SC*.THydrogen-bonded Turntrans-64.8-33.1-167.2-70.3174.7-178.2176.30113.9D41 E42 Q61D41-K63 WeakPolarHBondContact O-CD 3.32Å; D41-K63 WeakPolarHBondContact O-CE 3.29Å; D41-K63 PolarHBondContact O-NZ 3.23Å; E42-K63 WeakPolarHBondContact O-CB 3.48Å; E42-K63 VanDerWaalsContact O-CG 3.31Å; E42-K63 WeakPolarHBondContact O-CG 3.34Å; E42-K63 PolarHBondContact O-N 3.24Å; Q61-K63 PolarHBondContact O-N 3.3Å
64K95.8Very high96.2Very high176 Ų17639.4 Ų39.477%0.76520%0.204SC*.THydrogen-bonded Turntrans-84.4-41.9-177.2-64.6178.9-180169.90113.1H62H62-K64 VanDerWaalsContact C-N 3.34Å; H62-K64 PolarHBondContact O-N 3.14Å
65T96Very high96.7Very high68 Ų6839.3 Ų39.342%0.41720%0.204SC..THydrogen-bonded Turntrans-96.5-11.8-174.5600000112.8H62 N67H62-T65 PolarHBondContact ND1-N 2.85Å; H62-T65 PolarHBondContact ND1-OG1 3.26Å; T65-N67 PolarHBondContact O-N 3.35Å; T65-N67 VanDerWaalsContact O-N 3.1Å; T65-N67 PolarHBondContact O-OD1 2.95Å
66S96.2Very high97Very high69 Ų6938 Ų3848%0.48319%0.19SC..  trans60.69-172.7-60.30000115.1Q61 H62 F68Q61-S66 WeakPolarHBondContact CG-O 3.37Å; Q61-S66 PolarHBondContact NE2-O 3.3Å; H62-S66 VanDerWaalsContact O-CA 3.23Å; H62-S66 WeakPolarHBondContact O-CA 3.23Å; H62-S66 PolarHBondContact O-N 3.48Å; S66-F68 WeakPolarHBondContact O-CE2 3.08Å
67N97.1Very high97.1Very high91 Ų9138.4 Ų38.449%0.48720%0.202SC..  trans-73147.1177.7-69-10.7000111.6Q61 H62 T65 F69Q61-N67 CarbonylContact C-O 3.56Å; Q61-N67 WeakPolarHBondContact CA-O 3.21Å; H62-N67 PolarHBondContact N-O 3.07Å; T65-N67 PolarHBondContact O-N 3.35Å; T65-N67 VanDerWaalsContact O-N 3.1Å; T65-N67 PolarHBondContact O-OD1 2.95Å; N67-F69 HydrophobicContact CB-CE2 3.65Å; N67-F69 HydrophobicContact CB-CZ 3.8Å
68F97.9Very high97Very high43 Ų4341 Ų4119%0.18921%0.21CC..EExtended strand (participates in β ladder)trans-100.1142.3-179.2-66.1-94.2000111.5L46 L59 V60 Q61 S66 Y122 P321L46-F68 HydrophobicContact CD1-CD1 3.91Å; L46-F68 HydrophobicContact CD1-CE1 3.54Å; L59-F68 HydrophobicContact CD1-CB 4.1Å; L59-F68 HydrophobicContact CD1-CD1 3.97Å; L59-F68 HydrophobicContact CG-CD1 4.39Å; V60-F68 WeakPolarHBondContact O-CA 3.36Å; Q61-F68 HydrophobicContact CB-CD1 4.06Å; Q61-F68 HydrophobicContact CB-CE1 3.94Å; Q61-F68 HydrophobicContact CB-CZ 4.48Å; Q61-F68 HydrophobicContact CG-CD1 4.27Å; Q61-F68 HydrophobicContact CG-CE1 3.99Å; Q61-F68 HydrophobicContact CG-CE2 4.36Å; Q61-F68 HydrophobicContact CG-CZ 4.04Å; S66-F68 WeakPolarHBondContact O-CE2 3.08Å; F68-Y122 HydrophobicContact CB-CD1 3.95Å; F68-Y122 HydrophobicContact CB-CG 4.46Å; F68-P321 HydrophobicContact CD2-CB 3.87Å; F68-P321 HydrophobicContact CD2-CG 4.24Å; F68-P321 HydrophobicContact CE2-CB 4.06Å; F68-P321 HydrophobicContact CE2-CG 3.92Å
69F97.9Very high97Very high16 Ų1640.7 Ų40.77%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-139153179.9-59.4-82.1000110.6F43 V60 H62 N67 E107 Y108 L120F43-F69 AromaticContact CE1-CD2 3.97Å; F43-F69 HydrophobicContact CE1-CD2 3.97Å; F43-F69 HydrophobicContact CE1-CE2 4.42Å; V60-F69 HydrophobicContact CG2-CB 3.94Å; V60-F69 PolarHBondContact N-O 3.39Å; V60-F69 PolarHBondContact O-N 3.36Å; H62-F69 HydrophobicContact CB-CD2 4.29Å; H62-F69 HydrophobicContact CB-CE2 3.85Å; N67-F69 HydrophobicContact CB-CE2 3.65Å; N67-F69 HydrophobicContact CB-CZ 3.8Å; F69-E107 HydrophobicContact CD1-CB 4.2Å; F69-E107 HydrophobicContact CD1-CG 4.35Å; F69-E107 HydrophobicContact CE1-CB 3.91Å; F69-E107 HydrophobicContact CE1-CG 3.92Å; F69-Y108 HydrophobicContact CD1-CD2 4.44Å; F69-Y108 HydrophobicContact CD1-CE2 4.21Å; F69-Y108 HydrophobicContact CD2-CE2 4.22Å; F69-Y108 HydrophobicContact CE1-CD2 4.41Å; F69-Y108 AromaticContact CE1-CE2 3.8Å; F69-Y108 HydrophobicContact CE1-CE2 3.8Å; F69-Y108 AromaticContact CE2-CE2 3.8Å; F69-Y108 HydrophobicContact CE2-CE2 3.8Å; F69-Y108 HydrophobicContact CG-CE2 4.41Å; F69-Y108 AromaticContact CZ-CE2 3.59Å; F69-Y108 HydrophobicContact CZ-CE2 3.59Å; F69-L120 WeakPolarHBondContact CA-O 3.48Å; F69-L120 WeakPolarHBondContact CB-O 3.34Å
70A97.7Very high97Very high10 Ų1042.8 Ų42.88%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-93.4104166.800000108.7L49 V57 M58 K72 L120 Y122L49-A70 HydrophobicContact CD1-CB 4.06Å; V57-A70 HydrophobicContact CG1-CB 3.86Å; M58-A70 CarbonylContact O-C 3.57Å; A70-K72 PolarHBondContact O-N 2.93Å; A70-L120 HydrophobicContact CB-CB 4.32Å; A70-L120 PolarHBondContact N-O 2.8Å; A70-L120 WeakPolarHBondContact O-CB 3.43Å; A70-L120 PolarHBondContact O-N 3.41Å; A70-Y122 HydrophobicContact CB-CD2 4.36Å
71L97.4Very high96.9Very high0 Ų051.3 Ų51.30%026%0.256CS..EExtended strand (participates in β ladder)trans-88.7105.1-179.5-165.965000110.1L40 V57 M58 V60 I73 F110 F117 L118L40-L71 HydrophobicContact CD1-CD2 3.79Å; V57-L71 CarbonylContact C-O 3.58Å; V57-L71 WeakPolarHBondContact CA-O 3.44Å; M58-L71 PolarHBondContact N-O 3.49Å; M58-L71 PolarHBondContact O-N 3.12Å; V60-L71 HydrophobicContact CG1-CB 3.77Å; V60-L71 HydrophobicContact CG1-CD2 3.92Å; V60-L71 HydrophobicContact CG2-CB 3.9Å; V60-L71 HydrophobicContact CG2-CD2 4.48Å; L71-I73 HydrophobicContact CD2-CD1 4.44Å; L71-I73 HydrophobicContact CD2-CG1 4.25Å; L71-I73 HydrophobicContact CG-CG1 4.07Å; L71-I73 PolarHBondContact O-N 3.3Å; L71-F110 HydrophobicContact CD1-CE1 3.98Å; L71-F110 HydrophobicContact CD1-CZ 3.92Å; L71-F110 HydrophobicContact CD2-CZ 4.3Å; L71-F117 HydrophobicContact CD1-CB 4.04Å; L71-F117 HydrophobicContact CD1-CD1 4.36Å; L71-F117 HydrophobicContact CD2-CD1 3.83Å; L71-F117 HydrophobicContact CD2-CE1 4.4Å; L71-F117 HydrophobicContact CG-CD1 4.07Å; L71-L118 WeakPolarHBondContact CA-O 3.49Å
72K96.5Very high96.7Very high30 Ų3053.2 Ų53.213%0.1327%0.267CS..EExtended strand (participates in β ladder)trans-77.8116.5170.5-169.3176.4-170.5176.90108.5V57 A70 L74 E91 F117 L118 L120 D184V57-K72 HydrophobicContact CG2-CB 4.25Å; V57-K72 HydrophobicContact CG2-CG 4.13Å; A70-K72 PolarHBondContact O-N 2.93Å; K72-L74 HydrophobicContact CD-CD2 4.33Å; K72-L74 HydrophobicContact CG-CD2 3.95Å; K72-L74 HydrophobicContact CG-CG 4.38Å; K72-E91 IonicContact NZ-OE1 3.95Å; K72-E91 PolarHBondContact NZ-OE1 3.34Å; K72-E91 IonicContact NZ-OE2 3.53Å; K72-E91 PolarHBondContact NZ-OE2 3.16Å; K72-F117 WeakPolarHBondContact O-CA 3.34Å; K72-L118 HydrophobicContact CB-CB 4.21Å; K72-L118 HydrophobicContact CD-CD1 4.47Å; K72-L118 PolarHBondContact N-O 2.86Å; K72-L118 PolarHBondContact O-N 3.38Å; K72-L120 HydrophobicContact CB-CD1 4.47Å; K72-D184 IonicContact NZ-OD1 2.85Å; K72-D184 PolarHBondContact NZ-OD1 3.11Å
73I97.2Very high96.5Very high2 Ų261.5 Ų61.51%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-111.5119.2-174.8-55.8162000108G55 R56 M58 L71 Y115 L116 F117 L335G55-I73 WeakPolarHBondContact CA-O 3.47Å; R56-I73 HydrophobicContact CG-CB 4.4Å; R56-I73 HydrophobicContact CG-CD1 4.22Å; R56-I73 PolarHBondContact N-O 3.5Å; R56-I73 VanDerWaalsContact N-O 3.09Å; R56-I73 PolarHBondContact O-N 3.01Å; M58-I73 HydrophobicContact CB-CD1 4.14Å; M58-I73 HydrophobicContact CG-CD1 3.81Å; M58-I73 HydrophobicContact SD-CD1 3.42Å; M58-I73 WeakPolarHBondContact SD-CD1 3.38Å; L71-I73 HydrophobicContact CD2-CD1 4.44Å; L71-I73 HydrophobicContact CD2-CG1 4.25Å; L71-I73 HydrophobicContact CG-CG1 4.07Å; L71-I73 PolarHBondContact O-N 3.3Å; I73-Y115 HydrophobicContact CG2-CD1 3.67Å; I73-Y115 HydrophobicContact CG2-CD2 4.43Å; I73-Y115 HydrophobicContact CG2-CE1 4.27Å; I73-Y115 HydrophobicContact CG2-CG 3.77Å; I73-L116 WeakPolarHBondContact CA-O 3.27Å; I73-F117 HydrophobicContact CB-CD1 4.39Å; I73-F117 HydrophobicContact CB-CE1 4.37Å; I73-F117 HydrophobicContact CG1-CD1 3.81Å; I73-F117 HydrophobicContact CG1-CE1 3.89Å; I73-F117 HydrophobicContact CG2-CD1 4.22Å; I73-F117 HydrophobicContact CG2-CE1 3.79Å; I73-F117 HydrophobicContact CG2-CZ 4.47Å; I73-L335 HydrophobicContact CD1-CD1 4.07Å; I73-L335 HydrophobicContact CD1-CD2 4.15Å; I73-L335 HydrophobicContact CG2-CD2 4.03Å
74L96.7Very high96.4Very high4 Ų458.7 Ų58.72%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-119.3125.5-172-51.3168.4000110.8F54 K72 K76 I79 T88 Y115 L116F54-L74 HydrophobicContact CB-CB 4.44Å; F54-L74 HydrophobicContact CB-CD2 3.91Å; F54-L74 HydrophobicContact CD2-CD2 4.42Å; K72-L74 HydrophobicContact CD-CD2 4.33Å; K72-L74 HydrophobicContact CG-CD2 3.95Å; K72-L74 HydrophobicContact CG-CG 4.38Å; L74-K76 PolarHBondContact O-N 3.34Å; L74-I79 HydrophobicContact CB-CD1 3.75Å; L74-T88 HydrophobicContact CD1-CG2 3.67Å; L74-Y115 CarbonylContact O-C 3.41Å; L74-Y115 VanDerWaalsContact O-CA 3.23Å; L74-Y115 WeakPolarHBondContact O-CA 3.42Å; L74-L116 HydrophobicContact CB-CB 4.29Å; L74-L116 PolarHBondContact N-O 3.32Å; L74-L116 PolarHBondContact O-N 2.72Å
75D96.7Very high96.4Very high19 Ų1951.8 Ų51.810%0.10226%0.264CS..EExtended strand (participates in β ladder)trans-75.4115.6179.4-174.1-47.1000110.6F54 A77 K78 I79 Y115 K336F54-D75 PolarHBondContact O-N 2.91Å; D75-A77 VanDerWaalsContact C-N 3.31Å; D75-A77 PolarHBondContact O-N 2.96Å; D75-A77 WeakPolarHBondContact OD1-CA 3.3Å; D75-A77 WeakPolarHBondContact OD1-CB 3.27Å; D75-A77 PolarHBondContact OD1-N 2.95Å; D75-K78 HydrophobicContact CB-CB 3.94Å; D75-K78 PolarHBondContact O-N 2.95Å; D75-K78 VanDerWaalsContact O-N 3.13Å; D75-K78 PolarHBondContact OD1-N 2.99Å; D75-K78 VanDerWaalsContact OD1-N 3.15Å; D75-I79 WeakPolarHBondContact O-CG1 3.28Å; D75-I79 PolarHBondContact O-N 3.37Å; D75-Y115 HydrophobicContact CB-CD1 4.21Å; D75-Y115 HydrophobicContact CB-CE1 4Å; D75-K336 IonicContact OD2-NZ 3.27Å; D75-K336 PolarHBondContact OD2-NZ 3.29Å
76K97.3Very high96.3Very high1 Ų155.2 Ų55.20%0.00428%0.276CS..Hα-helixtrans-57.4-42.6-178.7-70.4-179.2-176.8-173.70112.1L74 K78 I79 I80 N112 V114 L116 N341 F343 F347L74-K76 PolarHBondContact O-N 3.34Å; K76-K78 VanDerWaalsContact C-N 3.28Å; K76-K78 PolarHBondContact O-N 3.08Å; K76-I79 PolarHBondContact O-N 3.48Å; K76-I80 VanDerWaalsContact O-CG1 3.24Å; K76-I80 WeakPolarHBondContact O-CG1 3.48Å; K76-I80 PolarHBondContact O-N 3.34Å; K76-N112 WeakPolarHBondContact CE-O 2.86Å; K76-N112 PolarHBondContact NZ-O 3.06Å; K76-V114 WeakPolarHBondContact CB-O 3.42Å; K76-V114 VanDerWaalsContact CG-O 3.3Å; K76-V114 WeakPolarHBondContact CG-O 3.35Å; K76-V114 PolarHBondContact N-O 2.84Å; K76-L116 HydrophobicContact CD-CD2 4.35Å; K76-L116 HydrophobicContact CG-CD2 4.03Å; K76-L116 HydrophobicContact CG-CG 3.99Å; K76-N341 PolarHBondContact NZ-OD1 3.11Å; K76-F343 HydrophobicContact CB-CD2 3.67Å; K76-F343 HydrophobicContact CB-CE2 4.34Å; K76-F343 HydrophobicContact CB-CG 4.43Å; K76-F343 HydrophobicContact CD-CB 4.29Å; K76-F343 HydrophobicContact CD-CD2 4.4Å; K76-F347 HydrophobicContact CB-CD2 4.27Å; K76-F347 HydrophobicContact CB-CE2 3.76Å; K76-F347 HydrophobicContact CB-CZ 4.49Å; K76-F347 HydrophobicContact CD-CD2 3.86Å; K76-F347 HydrophobicContact CD-CE2 4.22Å; K76-F347 HydrophobicContact CG-CD2 3.87Å; K76-F347 HydrophobicContact CG-CE2 3.78Å; K76-F347 HydrophobicContact CG-CZ 4.48Å
77A96Very high96.1Very high46 Ų4654.2 Ų54.238%0.3826%0.263SS..Hα-helixtrans-64.3-37.6-179.300000111D75 K81 F343D75-A77 VanDerWaalsContact C-N 3.31Å; D75-A77 PolarHBondContact O-N 2.96Å; D75-A77 WeakPolarHBondContact OD1-CA 3.3Å; D75-A77 WeakPolarHBondContact OD1-CB 3.27Å; D75-A77 PolarHBondContact OD1-N 2.95Å; A77-K81 VanDerWaalsContact O-CB 3.26Å; A77-K81 WeakPolarHBondContact O-CB 3.43Å; A77-K81 PolarHBondContact O-N 3.39Å; A77-F343 HydrophobicContact CB-CE2 3.75Å; A77-F343 HydrophobicContact CB-CZ 4.05Å
78K96Very high96Very high92 Ų9249.9 Ų49.940%0.424%0.24SC..Hα-helixtrans-68-41.8176.2-163.9168.6-175.3-171.70111.8S53 D75 K76 K81 L82S53-K78 WeakPolarHBondContact O-CD 3.4Å; S53-K78 WeakPolarHBondContact O-CE 3.2Å; S53-K78 PolarHBondContact O-NZ 3.34Å; D75-K78 HydrophobicContact CB-CB 3.94Å; D75-K78 PolarHBondContact O-N 2.95Å; D75-K78 VanDerWaalsContact O-N 3.13Å; D75-K78 PolarHBondContact OD1-N 2.99Å; D75-K78 VanDerWaalsContact OD1-N 3.15Å; K76-K78 VanDerWaalsContact C-N 3.28Å; K76-K78 PolarHBondContact O-N 3.08Å; K78-K81 PolarHBondContact O-N 3.48Å; K78-L82 HydrophobicContact CG-CD1 4.03Å; K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 WeakPolarHBondContact O-CG 3.42Å; K78-L82 PolarHBondContact O-N 3.23Å
79I96.6Very high95.8Very high0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-60.7-47.7175.5-66.8163.1000110.9F54 L74 D75 K76 L82 K83 Q84 V85 T88 L116 F347F54-I79 HydrophobicContact CB-CG1 4.16Å; F54-I79 HydrophobicContact CD1-CG1 4.24Å; F54-I79 HydrophobicContact CG-CG1 4.1Å; L74-I79 HydrophobicContact CB-CD1 3.75Å; D75-I79 WeakPolarHBondContact O-CG1 3.28Å; D75-I79 PolarHBondContact O-N 3.37Å; K76-I79 PolarHBondContact O-N 3.48Å; I79-L82 CarbonylContact O-C 3.58Å; I79-L82 PolarHBondContact O-N 2.84Å; I79-K83 PolarHBondContact O-N 3.35Å; I79-Q84 HydrophobicContact CG2-CB 4.2Å; I79-Q84 PolarHBondContact O-N 2.96Å; I79-V85 HydrophobicContact CG2-CG2 4.04Å; I79-T88 HydrophobicContact CD1-CG2 4.18Å; I79-L116 HydrophobicContact CD1-CD1 3.7Å; I79-F347 HydrophobicContact CB-CZ 4.05Å; I79-F347 HydrophobicContact CD1-CE1 4.49Å; I79-F347 HydrophobicContact CD1-CZ 4.3Å; I79-F347 HydrophobicContact CG2-CE1 4.12Å; I79-F347 HydrophobicContact CG2-CZ 3.73Å
80I96Very high95.6Very high48 Ų4850 Ų5025%0.24624%0.244CC..Hα-helixtrans-61.9-49.2179.2-67-76.7000110.6K76 L82 K83 V85 F343 E346 F347K76-I80 VanDerWaalsContact O-CG1 3.24Å; K76-I80 WeakPolarHBondContact O-CG1 3.48Å; K76-I80 PolarHBondContact O-N 3.34Å; I80-L82 PolarHBondContact O-N 3.49Å; I80-K83 PolarHBondContact O-N 3.2Å; I80-V85 HydrophobicContact CD1-CG2 3.51Å; I80-V85 HydrophobicContact CG1-CG2 4.39Å; I80-F343 HydrophobicContact CB-CE1 4.37Å; I80-F343 HydrophobicContact CD1-CD1 4.26Å; I80-F343 HydrophobicContact CG1-CD1 3.83Å; I80-F343 HydrophobicContact CG1-CE1 4.11Å; I80-F343 HydrophobicContact CG1-CG 4.08Å; I80-F343 HydrophobicContact CG2-CE1 4.16Å; I80-E346 HydrophobicContact CD1-CB 3.8Å; I80-E346 HydrophobicContact CD1-CG 3.78Å; I80-F347 HydrophobicContact CD1-CE2 4.01Å; I80-F347 HydrophobicContact CD1-CZ 4.29Å; I80-F347 HydrophobicContact CG1-CE2 3.93Å; I80-F347 HydrophobicContact CG1-CZ 4.27Å
81K95.9Very high95.5Very high179 Ų17949.7 Ų49.778%0.77824%0.24SC*.Hα-helixtrans-56.2-38.6178.3-176.9-179.9179.1-178.40112.2A77 K78 K83A77-K81 VanDerWaalsContact O-CB 3.26Å; A77-K81 WeakPolarHBondContact O-CB 3.43Å; A77-K81 PolarHBondContact O-N 3.39Å; K78-K81 PolarHBondContact O-N 3.48Å; K81-K83 VanDerWaalsContact C-N 3.33Å
82L94.3Very high95.4Very high83 Ų8350.4 Ų50.444%0.43524%0.243SC..THydrogen-bonded Turntrans-88.51.6180-64.1173.8000113.4F54 K78 I79 I80 Q84F54-L82 HydrophobicContact CD1-CD1 3.91Å; F54-L82 HydrophobicContact CE1-CB 4.29Å; F54-L82 HydrophobicContact CE1-CD1 3.61Å; K78-L82 HydrophobicContact CG-CD1 4.03Å; K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 WeakPolarHBondContact O-CG 3.42Å; K78-L82 PolarHBondContact O-N 3.23Å; I79-L82 CarbonylContact O-C 3.58Å; I79-L82 PolarHBondContact O-N 2.84Å; I80-L82 PolarHBondContact O-N 3.49Å; L82-Q84 VanDerWaalsContact C-N 3.29Å; L82-Q84 HydrophobicContact CB-CG 4.03Å; L82-Q84 WeakPolarHBondContact O-CG 3.42Å; L82-Q84 PolarHBondContact O-N 3.34Å; L82-Q84 PolarHBondContact O-NE2 3.07Å
83K94.6Very high95.3Very high187 Ų18753.2 Ų53.281%0.81325%0.253SS*.THydrogen-bonded Turntrans56.338.2-178.5-56.6-179.1178.4-179.30113.5I79 I80 K81I79-K83 PolarHBondContact O-N 3.35Å; I80-K83 PolarHBondContact O-N 3.2Å; K81-K83 VanDerWaalsContact C-N 3.33Å
84Q94.8Very high95.3Very high69 Ų6953.1 Ų53.132%0.32225%0.253SS..  trans-10519-174.9-64.4-61.5-29.600114.1F54 I79 L82 Q86 H87 T88F54-Q84 HydrophobicContact CE1-CB 4.07Å; F54-Q84 HydrophobicContact CE1-CG 3.91Å; F54-Q84 HydrophobicContact CZ-CB 3.83Å; F54-Q84 HydrophobicContact CZ-CG 3.69Å; I79-Q84 HydrophobicContact CG2-CB 4.2Å; I79-Q84 PolarHBondContact O-N 2.96Å; L82-Q84 VanDerWaalsContact C-N 3.29Å; L82-Q84 HydrophobicContact CB-CG 4.03Å; L82-Q84 WeakPolarHBondContact O-CG 3.42Å; L82-Q84 PolarHBondContact O-N 3.34Å; L82-Q84 PolarHBondContact O-NE2 3.07Å; Q84-Q86 PolarHBondContact O-N 3.37Å; Q84-H87 HydrophobicContact CB-CB 4.38Å; Q84-H87 WeakPolarHBondContact O-CB 3.31Å; Q84-H87 PolarHBondContact O-N 3.42Å; Q84-H87 VanDerWaalsContact OE1-CB 3.26Å; Q84-T88 PolarHBondContact O-N 2.7Å; Q84-T88 PolarHBondContact O-OG1 2.82Å
85V95.4Very high95.3Very high30 Ų3053.1 Ų53.118%0.18225%0.253CS..Hα-helixtrans-56.8-54.3-177.9178.50000111.4I79 I80 H87 T88 L89 E346 F347I79-V85 HydrophobicContact CG2-CG2 4.04Å; I80-V85 HydrophobicContact CD1-CG2 3.51Å; I80-V85 HydrophobicContact CG1-CG2 4.39Å; V85-H87 VanDerWaalsContact C-N 3.26Å; V85-H87 PolarHBondContact O-N 3.11Å; V85-T88 PolarHBondContact O-N 3.37Å; V85-L89 HydrophobicContact CG1-CD1 3.98Å; V85-L89 HydrophobicContact CG1-CG 4.47Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.37Å; V85-E346 WeakPolarHBondContact CG1-O 3.18Å; V85-F347 HydrophobicContact CB-CE1 4.39Å; V85-F347 HydrophobicContact CG1-CD1 4.31Å; V85-F347 HydrophobicContact CG1-CE1 3.89Å; V85-F347 HydrophobicContact CG1-CZ 4.41Å; V85-F347 HydrophobicContact CG2-CE1 4.21Å; V85-F347 HydrophobicContact CG2-CZ 3.95Å
86Q94Very high95.2Very high140 Ų14054.3 Ų54.365%0.65426%0.257SS*.Hα-helixtrans-63.7-34.1-178-170.258.743.300112.5Q84 N90Q84-Q86 PolarHBondContact O-N 3.37Å; Q86-N90 WeakPolarHBondContact O-CB 3.38Å; Q86-N90 PolarHBondContact O-N 3.05Å
87H92.5Very high95.2Very high49 Ų4954.3 Ų54.323%0.22726%0.258CS..Hα-helixtrans-63.6-48.1175.9174.693.8000111.1Q84 V85 N90 E91 G186Q84-H87 HydrophobicContact CB-CB 4.38Å; Q84-H87 WeakPolarHBondContact O-CB 3.31Å; Q84-H87 PolarHBondContact O-N 3.42Å; Q84-H87 VanDerWaalsContact OE1-CB 3.26Å; V85-H87 VanDerWaalsContact C-N 3.26Å; V85-H87 PolarHBondContact O-N 3.11Å; H87-N90 PolarHBondContact O-N 3.06Å; H87-E91 PolarHBondContact O-N 3.46Å; H87-G186 PolarHBondContact CE1-O 3.2Å; H87-G186 PolarHBondContact ND1-O 3.21Å; H87-G186 PolarHBondContact NE2-O 3.24Å
88T94.6Very high95.2Very high0 Ų052.5 Ų52.50%024%0.242CC..Hα-helixtrans-64-41176.9-59.90000112.7L74 I79 Q84 V85 E91 K92 L116 F350L74-T88 HydrophobicContact CD1-CG2 3.67Å; I79-T88 HydrophobicContact CD1-CG2 4.18Å; Q84-T88 PolarHBondContact O-N 2.7Å; Q84-T88 PolarHBondContact O-OG1 2.82Å; V85-T88 PolarHBondContact O-N 3.37Å; T88-E91 PolarHBondContact O-N 3.5Å; T88-K92 PolarHBondContact O-N 2.99Å; T88-K92 VanDerWaalsContact O-N 3.11Å; T88-L116 HydrophobicContact CG2-CD1 3.85Å; T88-F350 HydrophobicContact CG2-CE2 4.13Å
89L94.5Very high95.2Very high30 Ų3053 Ų5316%0.15725%0.249CC..Hα-helixtrans-64.7-40.4175.8-68.1173.8000111.7V85 K92 R93 F350V85-L89 HydrophobicContact CG1-CD1 3.98Å; V85-L89 HydrophobicContact CG1-CG 4.47Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.37Å; L89-K92 PolarHBondContact O-N 3.07Å; L89-R93 WeakPolarHBondContact O-CB 3.27Å; L89-R93 PolarHBondContact O-N 3.26Å; L89-F350 HydrophobicContact CD2-CB 3.89Å; L89-F350 HydrophobicContact CD2-CD2 3.98Å; L89-F350 HydrophobicContact CD2-CG 4.44Å
90N93.8Very high95.2Very high32 Ų3253.3 Ų53.317%0.17125%0.251CS..Hα-helixtrans-66-43.7176.7178.579.7000112.1Q86 H87 K92 R93 I94 V188Q86-N90 WeakPolarHBondContact O-CB 3.38Å; Q86-N90 PolarHBondContact O-N 3.05Å; H87-N90 PolarHBondContact O-N 3.06Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.87Å; N90-R93 PolarHBondContact O-N 3.34Å; N90-I94 VanDerWaalsContact ND2-CD1 3.33Å; N90-I94 WeakPolarHBondContact ND2-CD1 3.34Å; N90-I94 WeakPolarHBondContact O-CG1 3.18Å; N90-I94 PolarHBondContact O-N 3.21Å; N90-V188 PolarHBondContact ND2-O 2.91Å
91E95.4Very high95.3Very high3 Ų352.9 Ų52.91%0.01425%0.251CS..Hα-helixtrans-54.7-52.1174176.8-176.6-168.400110.4K72 H87 T88 R93 I94 L95 F185K72-E91 IonicContact NZ-OE1 3.95Å; K72-E91 PolarHBondContact NZ-OE1 3.34Å; K72-E91 IonicContact NZ-OE2 3.53Å; K72-E91 PolarHBondContact NZ-OE2 3.16Å; H87-E91 PolarHBondContact O-N 3.46Å; T88-E91 PolarHBondContact O-N 3.5Å; E91-R93 PolarHBondContact O-N 3.19Å; E91-I94 PolarHBondContact O-N 2.83Å; E91-L95 HydrophobicContact CG-CD1 3.85Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 WeakPolarHBondContact O-CG 3.1Å; E91-L95 PolarHBondContact O-N 3.48Å; E91-F185 HydrophobicContact CG-CB 4.2Å
92K95Very high95.4Very high14 Ų1444.4 Ų44.46%0.06121%0.214CC..Hα-helixtrans-55.4-52.1177.1-179.9-166.6144.7165.90110.9T88 L89 N90 I94 L95 Q96 L106 S109 L118 F350T88-K92 PolarHBondContact O-N 2.99Å; T88-K92 VanDerWaalsContact O-N 3.11Å; L89-K92 PolarHBondContact O-N 3.07Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.87Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 2.78Å; K92-L95 PolarHBondContact O-N 2.7Å; K92-Q96 HydrophobicContact CG-CG 4.37Å; K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 2.71Å; K92-L106 HydrophobicContact CG-CD2 4.35Å; K92-S109 VanDerWaalsContact CE-OG 3.31Å; K92-S109 WeakPolarHBondContact CE-OG 3.44Å; K92-S109 PolarHBondContact NZ-OG 2.88Å; K92-S109 VanDerWaalsContact NZ-OG 3.12Å; K92-L118 HydrophobicContact CB-CD2 4.02Å; K92-L118 HydrophobicContact CD-CD2 4.41Å; K92-L118 HydrophobicContact CG-CD2 3.79Å; K92-F350 HydrophobicContact CB-CE2 4.17Å; K92-F350 HydrophobicContact CD-CD1 4.42Å; K92-F350 HydrophobicContact CD-CD2 3.99Å; K92-F350 HydrophobicContact CD-CE1 4.27Å; K92-F350 HydrophobicContact CD-CE2 3.85Å; K92-F350 HydrophobicContact CD-CG 4.28Å; K92-F350 HydrophobicContact CD-CZ 4Å; K92-F350 HydrophobicContact CG-CE2 4.38Å; K92-F350 PolarHBondContact NZ-OXT 3.42Å
93R95Very high95.6Very high89 Ų8940.5 Ų40.534%0.33619%0.194SC..Hα-helixtrans-62.3-40.3-173.7-164.9176.8-179.9167.3-2.1112.2Y30 E31 L89 N90 E91 A97Y30-R93 HydrophobicContact CD2-CG 3.84Å; Y30-R93 HydrophobicContact CE2-CB 4.19Å; Y30-R93 HydrophobicContact CE2-CG 3.54Å; Y30-R93 VanDerWaalsContact O-CZ 3.32Å; Y30-R93 PolarHBondContact O-NE 3.01Å; Y30-R93 PolarHBondContact O-NH2 3.03Å; E31-R93 IonicContact OE2-NH2 2.71Å; E31-R93 PolarHBondContact OE2-NH2 2.96Å; L89-R93 WeakPolarHBondContact O-CB 3.27Å; L89-R93 PolarHBondContact O-N 3.26Å; N90-R93 PolarHBondContact O-N 3.34Å; E91-R93 PolarHBondContact O-N 3.19Å; R93-A97 PolarHBondContact O-N 2.85Å
94I96.8Very high95.7Very high0 Ų031.9 Ų31.90%016%0.156CC..Hα-helixtrans-65.6-49.2174.9-67.3169.1000110.1Y30 N90 E91 K92 Q96 A97 V98 L162 F185 V188Y30-I94 HydrophobicContact CE2-CG1 4.35Å; N90-I94 VanDerWaalsContact ND2-CD1 3.33Å; N90-I94 WeakPolarHBondContact ND2-CD1 3.34Å; N90-I94 WeakPolarHBondContact O-CG1 3.18Å; N90-I94 PolarHBondContact O-N 3.21Å; E91-I94 PolarHBondContact O-N 2.83Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 2.78Å; I94-Q96 PolarHBondContact O-N 2.8Å; I94-A97 PolarHBondContact O-N 3.31Å; I94-V98 HydrophobicContact CG2-CG1 3.86Å; I94-V98 WeakPolarHBondContact O-CG2 3.3Å; I94-V98 PolarHBondContact O-N 3.16Å; I94-L162 HydrophobicContact CD1-CD2 3.86Å; I94-L162 HydrophobicContact CG1-CD2 4.15Å; I94-L162 HydrophobicContact CG2-CD1 3.85Å; I94-L162 HydrophobicContact CG2-CD2 4.38Å; I94-F185 HydrophobicContact CG2-CD1 3.84Å; I94-F185 HydrophobicContact CG2-CE1 4.27Å; I94-V188 HydrophobicContact CD1-CB 4.35Å; I94-V188 HydrophobicContact CD1-CG1 4.17Å; I94-V188 WeakPolarHBondContact CD1-O 3.42Å; I94-V188 HydrophobicContact CG2-CG1 4.07Å
95L96.4Very high95.8Very high4 Ų432.8 Ų32.82%0.02116%0.157CC..Hα-helixtrans-59.6-30.5179.7-81.4173.9000113.7E91 K92 A97 I104 L106 L118 L120 F185E91-L95 HydrophobicContact CG-CD1 3.85Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 WeakPolarHBondContact O-CG 3.1Å; E91-L95 PolarHBondContact O-N 3.48Å; K92-L95 PolarHBondContact O-N 2.7Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-I104 HydrophobicContact CD2-CG2 3.98Å; L95-L106 HydrophobicContact CB-CB 3.95Å; L95-L106 HydrophobicContact CB-CD2 3.84Å; L95-L106 HydrophobicContact CB-CG 4.49Å; L95-L118 HydrophobicContact CD1-CD1 4.26Å; L95-L120 HydrophobicContact CD1-CD2 4.13Å; L95-F185 HydrophobicContact CD1-CB 4.19Å; L95-F185 HydrophobicContact CD2-CB 3.79Å; L95-F185 HydrophobicContact CD2-CD1 3.87Å; L95-F185 HydrophobicContact CD2-CD2 3.86Å; L95-F185 HydrophobicContact CD2-CE1 4.43Å; L95-F185 HydrophobicContact CD2-CE2 4.42Å; L95-F185 HydrophobicContact CD2-CG 3.55Å; L95-F185 HydrophobicContact CG-CB 3.77Å; L95-F185 HydrophobicContact CG-CD1 4.28Å; L95-F185 HydrophobicContact CG-CG 4.04Å
96Q95Very high95.9Very high44 Ų4432.5 Ų32.521%0.20615%0.154CC..Hα-helixtrans-71.9-26.3174.7-73.9-175-70.600113.4K92 I94 L106K92-Q96 HydrophobicContact CG-CG 4.37Å; K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 2.71Å; I94-Q96 PolarHBondContact O-N 2.8Å; Q96-L106 HydrophobicContact CB-CD2 4.43Å; Q96-L106 HydrophobicContact CG-CD2 3.45Å; Q96-L106 VanDerWaalsContact CG-CD2 3.45Å
97A96.2Very high95.9Very high2 Ų227.4 Ų27.42%0.01713%0.13CC..Hα-helixtrans-100.7-31-171.400000113.3Y26 N29 Y30 R93 I94 L95Y26-A97 HydrophobicContact CD2-CB 3.54Å; Y26-A97 WeakPolarHBondContact CD2-O 3.29Å; Y26-A97 HydrophobicContact CE2-CB 3.48Å; Y26-A97 VanDerWaalsContact CE2-CB 3.48Å; Y26-A97 HydrophobicContact CG-CB 4.43Å; N29-A97 HydrophobicContact CB-CB 4.07Å; Y30-A97 HydrophobicContact CD2-CB 4.11Å; R93-A97 PolarHBondContact O-N 2.85Å; I94-A97 PolarHBondContact O-N 3.31Å; L95-A97 VanDerWaalsContact C-N 3.32Å
98V97Very high96.1Very high8 Ų827.1 Ų27.15%0.04813%0.128CC..  trans-72.5137.9177.7-620000111.4Y26 I94 L103 Y156 L157 L160 L162 F185Y26-V98 HydrophobicContact CD2-CG1 4.12Å; Y26-V98 HydrophobicContact CE2-CG1 3.79Å; I94-V98 HydrophobicContact CG2-CG1 3.86Å; I94-V98 WeakPolarHBondContact O-CG2 3.3Å; I94-V98 PolarHBondContact O-N 3.16Å; V98-L103 HydrophobicContact CB-CD1 4.44Å; V98-Y156 WeakPolarHBondContact CA-OH 3.4Å; V98-Y156 HydrophobicContact CB-CE1 4.14Å; V98-Y156 HydrophobicContact CG1-CE1 4.25Å; V98-L157 HydrophobicContact CG1-CD2 4.18Å; V98-L160 HydrophobicContact CG1-CD1 4.34Å; V98-L162 HydrophobicContact CG1-CD1 3.87Å; V98-F185 HydrophobicContact CG1-CE1 4.4Å; V98-F185 HydrophobicContact CG2-CE1 3.9Å; V98-F185 HydrophobicContact CG2-CZ 4.44Å
99D95.6Very high96.1Very high101 Ų10127.7 Ų27.754%0.5413%0.132SC..  trans-146.7105.7175-174.721.8000109Y156D99-Y156 PolarHBondContact N-OH 2.92Å; D99-Y156 WeakPolarHBondContact O-CE2 3.47Å; D99-Y156 PolarHBondContact O-OH 2.73Å
100F97.3Very high96.1Very high8 Ų827 Ų274%0.03513%0.127CC..  trans-153143-179.1-164.1-107.8000110.6Y18 F102 L103 L152 A153 Y156 F306Y18-F100 AromaticContact CE1-CD2 3.86Å; Y18-F100 HydrophobicContact CE1-CD2 3.86Å; Y18-F100 AromaticContact CE1-CE2 3.62Å; Y18-F100 HydrophobicContact CE1-CE2 3.62Å; Y18-F100 WeakPolarHBondContact OH-CD2 3.38Å; F100-F102 HydrophobicContact CD1-CB 4.32Å; F100-F102 HydrophobicContact CD1-CD2 4.36Å; F100-F102 HydrophobicContact CE1-CB 4.43Å; F100-F102 AromaticContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CE2 4.34Å; F100-F102 HydrophobicContact CE1-CG 4.42Å; F100-F102 PolarHBondContact O-N 3.26Å; F100-L103 HydrophobicContact CB-CB 4.33Å; F100-L103 HydrophobicContact CB-CD1 3.78Å; F100-L103 HydrophobicContact CB-CG 3.93Å; F100-L103 HydrophobicContact CD1-CG 4.32Å; F100-L103 PolarHBondContact O-N 3.08Å; F100-L152 HydrophobicContact CE1-CB 4.08Å; F100-L152 HydrophobicContact CZ-CB 4.01Å; F100-L152 WeakPolarHBondContact CZ-O 2.9Å; F100-A153 HydrophobicContact CD1-CB 4.25Å; F100-A153 HydrophobicContact CE1-CB 4.23Å; F100-Y156 HydrophobicContact CB-CD1 3.89Å; F100-Y156 HydrophobicContact CB-CD2 4.21Å; F100-Y156 HydrophobicContact CB-CE1 3.92Å; F100-Y156 HydrophobicContact CB-CE2 4.17Å; F100-Y156 HydrophobicContact CB-CG 4.06Å; F100-Y156 HydrophobicContact CD1-CG 4.47Å; F100-Y156 HydrophobicContact CD2-CD1 4.29Å; F100-Y156 AromaticContact CD2-CD2 3.38Å; F100-Y156 HydrophobicContact CD2-CD2 3.38Å; F100-Y156 AromaticContact CD2-CE2 3.92Å; F100-Y156 HydrophobicContact CD2-CE2 3.92Å; F100-Y156 AromaticContact CD2-CG 3.58Å; F100-Y156 HydrophobicContact CD2-CG 3.58Å; F100-Y156 AromaticContact CE2-CD2 3.98Å; F100-Y156 HydrophobicContact CE2-CD2 3.98Å; F100-Y156 HydrophobicContact CE2-CG 4.12Å; F100-Y156 HydrophobicContact CG-CD1 4.06Å; F100-Y156 AromaticContact CG-CD2 3.99Å; F100-Y156 HydrophobicContact CG-CD2 3.99Å; F100-Y156 HydrophobicContact CG-CE2 4.4Å; F100-Y156 AromaticContact CG-CG 3.79Å; F100-Y156 HydrophobicContact CG-CG 3.79Å; F100-F306 HydrophobicContact CD2-CE2 4.37Å; F100-F306 HydrophobicContact CE2-CD2 4.16Å; F100-F306 AromaticContact CE2-CE2 3.57Å; F100-F306 HydrophobicContact CE2-CE2 3.57Å; F100-F306 AromaticContact CZ-CD2 3.97Å; F100-F306 HydrophobicContact CZ-CD2 3.97Å; F100-F306 AromaticContact CZ-CE2 3.86Å; F100-F306 HydrophobicContact CZ-CE2 3.86Å
101P96.6Very high96.2Very high39 Ų3929 Ų2925%0.25313%0.134SC..THydrogen-bonded Turntrans-56.3-33.1-170.9-2936.1000115.2K181 F306P101-K181 VanDerWaalsContact O-CE 3.32Å; P101-K181 WeakPolarHBondContact O-CE 3.4Å; P101-K181 PolarHBondContact O-NZ 3.36Å; P101-F306 HydrophobicContact CG-CD2 4.41Å; P101-F306 HydrophobicContact CG-CE2 3.88Å; P101-F306 HydrophobicContact CG-CZ 4.41Å
102F98.5Very high96.2Very high0 Ų030.8 Ų30.80%014%0.144CC..THydrogen-bonded Turntrans-99.79.3-176.4-50-43000114.1F100 Q149 L152 A153 Y179 I180 K181 I182 I305 K308F100-F102 HydrophobicContact CD1-CB 4.32Å; F100-F102 HydrophobicContact CD1-CD2 4.36Å; F100-F102 HydrophobicContact CE1-CB 4.43Å; F100-F102 AromaticContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CD2 3.7Å; F100-F102 HydrophobicContact CE1-CE2 4.34Å; F100-F102 HydrophobicContact CE1-CG 4.42Å; F100-F102 PolarHBondContact O-N 3.26Å; F102-Q149 HydrophobicContact CD1-CB 4.21Å; F102-Q149 HydrophobicContact CD1-CG 4.16Å; F102-Q149 HydrophobicContact CD2-CB 3.73Å; F102-Q149 HydrophobicContact CD2-CG 4.14Å; F102-Q149 WeakPolarHBondContact CD2-O 3.39Å; F102-Q149 HydrophobicContact CE1-CB 4.44Å; F102-Q149 HydrophobicContact CE1-CG 3.95Å; F102-Q149 HydrophobicContact CE2-CB 3.98Å; F102-Q149 HydrophobicContact CE2-CG 3.93Å; F102-Q149 HydrophobicContact CG-CB 3.88Å; F102-Q149 HydrophobicContact CG-CG 4.29Å; F102-Q149 HydrophobicContact CZ-CB 4.34Å; F102-Q149 HydrophobicContact CZ-CG 3.84Å; F102-L152 HydrophobicContact CD2-CB 4.19Å; F102-L152 HydrophobicContact CE2-CB 4.13Å; F102-L152 HydrophobicContact CE2-CD1 3.76Å; F102-A153 HydrophobicContact CB-CB 4.32Å; F102-Y179 HydrophobicContact CD1-CD1 4.43Å; F102-Y179 AromaticContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CE1 4.24Å; F102-Y179 HydrophobicContact CZ-CD1 4.38Å; F102-I180 HydrophobicContact CB-CD1 4.48Å; F102-I180 HydrophobicContact CB-CG1 3.95Å; F102-I180 HydrophobicContact CG-CG1 4.35Å; F102-K181 CarbonylContact O-C 3.57Å; F102-K181 WeakPolarHBondContact O-CA 3.35Å; F102-I182 PolarHBondContact O-N 2.96Å; F102-I305 HydrophobicContact CE2-CG2 4.36Å; F102-I305 HydrophobicContact CZ-CG2 4.18Å; F102-I305 WeakPolarHBondContact CZ-O 3.31Å; F102-K308 HydrophobicContact CE1-CG 4.16Å
103L98.5Very high96.2Very high2 Ų234 Ų341%0.0116%0.16CC..BIsolated β-bridgetrans-107.5148.5173.6-60.7-179000110.1V98 F100 A153 Y156 L157 K181 I182 F185V98-L103 HydrophobicContact CB-CD1 4.44Å; F100-L103 HydrophobicContact CB-CB 4.33Å; F100-L103 HydrophobicContact CB-CD1 3.78Å; F100-L103 HydrophobicContact CB-CG 3.93Å; F100-L103 HydrophobicContact CD1-CG 4.32Å; F100-L103 PolarHBondContact O-N 3.08Å; L103-A153 HydrophobicContact CD2-CB 3.83Å; L103-A153 HydrophobicContact CG-CB 4.45Å; L103-Y156 HydrophobicContact CD1-CD1 3.74Å; L103-Y156 HydrophobicContact CD1-CE1 3.77Å; L103-L157 HydrophobicContact CD1-CD2 3.87Å; L103-L157 HydrophobicContact CD1-CG 4.17Å; L103-L157 HydrophobicContact CD2-CD1 4.47Å; L103-K181 WeakPolarHBondContact O-CD 3.24Å; L103-K181 PolarHBondContact O-NZ 2.83Å; L103-I182 HydrophobicContact CD2-CB 3.83Å; L103-I182 HydrophobicContact CD2-CD1 4.28Å; L103-I182 HydrophobicContact CD2-CG1 4.41Å; L103-I182 HydrophobicContact CD2-CG2 4.42Å; L103-F185 HydrophobicContact CB-CZ 4.22Å; L103-F185 HydrophobicContact CD1-CZ 4.01Å; L103-F185 HydrophobicContact CD2-CE2 4.38Å; L103-F185 HydrophobicContact CD2-CZ 3.88Å; L103-F185 HydrophobicContact CG-CZ 4.23Å
104I98Very high96.3Very high5 Ų530.8 Ų30.83%0.02615%0.149CC..PPolyproline II helixtrans-65.6136.7171.7-158.572.1000109.8L95 L120 E121 V123 K181 I182 A183 F185L95-I104 HydrophobicContact CD2-CG2 3.98Å; I104-L120 HydrophobicContact CG1-CB 4.22Å; I104-E121 HydrophobicContact CD1-CB 3.96Å; I104-E121 HydrophobicContact CD1-CG 4.45Å; I104-E121 WeakPolarHBondContact CD1-O 3.19Å; I104-E121 HydrophobicContact CG1-CB 4.4Å; I104-V123 HydrophobicContact CD1-CG2 3.48Å; I104-V123 VanDerWaalsContact CD1-CG2 3.48Å; I104-K181 HydrophobicContact CD1-CB 4.41Å; I104-I182 WeakPolarHBondContact CB-O 3.37Å; I104-I182 PolarHBondContact N-O 2.99Å; I104-A183 HydrophobicContact CB-CB 4.45Å; I104-F185 HydrophobicContact CG2-CD2 4.32Å; I104-F185 HydrophobicContact CG2-CE2 4.26Å
105R96.2Very high96.3Very high88 Ų8831.7 Ų31.733%0.33215%0.153SC..PPolyproline II helixtrans-98.7143.6176.9-64.3-173.8-52.2108.914.4111.7E107 L120 E121R105-E107 IonicContact CZ-OE1 3.07Å; R105-E107 IonicContact NH1-OE1 2.71Å; R105-E107 PolarHBondContact NH1-OE1 2.5Å; R105-E107 IonicContact NH2-OE1 2.7Å; R105-E107 PolarHBondContact NH2-OE1 3.43Å; R105-L120 WeakPolarHBondContact O-CA 3.26Å; R105-E121 HydrophobicContact CB-CB 4.49Å; R105-E121 IonicContact NE-OE2 2.85Å; R105-E121 PolarHBondContact O-N 3.11Å
106L96.4Very high96.3Very high24 Ų2431.5 Ų31.513%0.12615%0.152CC..EExtended strand (participates in β ladder)trans-93.4123.4169.6179.467.5000110.1K92 L95 Q96 Y108 L118 L120K92-L106 HydrophobicContact CG-CD2 4.35Å; L95-L106 HydrophobicContact CB-CB 3.95Å; L95-L106 HydrophobicContact CB-CD2 3.84Å; L95-L106 HydrophobicContact CB-CG 4.49Å; Q96-L106 HydrophobicContact CB-CD2 4.43Å; Q96-L106 HydrophobicContact CG-CD2 3.45Å; Q96-L106 VanDerWaalsContact CG-CD2 3.45Å; L106-Y108 WeakPolarHBondContact CD1-O 3.46Å; L106-L118 HydrophobicContact CD1-CB 3.74Å; L106-L118 HydrophobicContact CD1-CD2 3.97Å; L106-L118 HydrophobicContact CD1-CG 4.42Å; L106-L118 HydrophobicContact CD2-CD2 4.22Å; L106-L120 HydrophobicContact CB-CD2 4.23Å; L106-L120 HydrophobicContact CD1-CD2 3.72Å
107E95.3Very high96.4Very high33 Ų3329.4 Ų29.415%0.15414%0.142CC..EExtended strand (participates in β ladder)trans-105.5-34.2-177.8-69.9-72.7-170.700112.8K36 F69 R105 G119K36-E107 WeakPolarHBondContact CD-O 3.06Å; K36-E107 IonicContact NZ-OE2 2.94Å; K36-E107 PolarHBondContact NZ-OE2 3.48Å; F69-E107 HydrophobicContact CD1-CB 4.2Å; F69-E107 HydrophobicContact CD1-CG 4.35Å; F69-E107 HydrophobicContact CE1-CB 3.91Å; F69-E107 HydrophobicContact CE1-CG 3.92Å; R105-E107 IonicContact CZ-OE1 3.07Å; R105-E107 IonicContact NH1-OE1 2.71Å; R105-E107 PolarHBondContact NH1-OE1 2.5Å; R105-E107 IonicContact NH2-OE1 2.7Å; R105-E107 PolarHBondContact NH2-OE1 3.43Å; E107-G119 PolarHBondContact N-O 3.44Å
108Y95.6Very high96.4Very high44 Ų4429.3 Ų29.317%0.17314%0.142CC..EExtended strand (participates in β ladder)trans-135.8144.6179.1-57.4-79.1000110.7K36 A38 F43 F69 L106 G119K36-Y108 HydrophobicContact CB-CD1 4.39Å; A38-Y108 HydrophobicContact CB-CD1 3.83Å; A38-Y108 HydrophobicContact CB-CE1 4.47Å; A38-Y108 HydrophobicContact CB-CG 4.35Å; F43-Y108 HydrophobicContact CE1-CD2 4.28Å; F43-Y108 HydrophobicContact CE1-CE2 4.21Å; F43-Y108 AromaticContact CZ-CD2 3.87Å; F43-Y108 HydrophobicContact CZ-CD2 3.87Å; F43-Y108 HydrophobicContact CZ-CE2 4.06Å; F43-Y108 HydrophobicContact CZ-CG 4.13Å; F69-Y108 HydrophobicContact CD1-CD2 4.44Å; F69-Y108 HydrophobicContact CD1-CE2 4.21Å; F69-Y108 HydrophobicContact CD2-CE2 4.22Å; F69-Y108 HydrophobicContact CE1-CD2 4.41Å; F69-Y108 AromaticContact CE1-CE2 3.8Å; F69-Y108 HydrophobicContact CE1-CE2 3.8Å; F69-Y108 AromaticContact CE2-CE2 3.8Å; F69-Y108 HydrophobicContact CE2-CE2 3.8Å; F69-Y108 HydrophobicContact CG-CE2 4.41Å; F69-Y108 AromaticContact CZ-CE2 3.59Å; F69-Y108 HydrophobicContact CZ-CE2 3.59Å; L106-Y108 WeakPolarHBondContact CD1-O 3.46Å; Y108-G119 PolarHBondContact N-O 2.97Å; Y108-G119 VanDerWaalsContact N-O 3.11Å; Y108-G119 PolarHBondContact O-N 2.79Å
109S95.1Very high96.4Very high12 Ų1229 Ų298%0.08414%0.139CC..EExtended strand (participates in β ladder)trans-138.8130.3164.366.10000109.3K92 F117K92-S109 VanDerWaalsContact CE-OG 3.31Å; K92-S109 WeakPolarHBondContact CE-OG 3.44Å; K92-S109 PolarHBondContact NZ-OG 2.88Å; K92-S109 VanDerWaalsContact NZ-OG 3.12Å; S109-F117 WeakPolarHBondContact CA-O 3.39Å
110F95.6Very high96.5Very high14 Ų1425 Ų256%0.06112%0.118CC..EExtended strand (participates in β ladder)trans-157.8171.4-178.458.4-85.8000111.1A38 L40 F43 L71 F117 F350A38-F110 HydrophobicContact CB-CD1 3.83Å; A38-F110 HydrophobicContact CB-CE1 4.08Å; A38-F110 HydrophobicContact CB-CG 4.44Å; A38-F110 WeakPolarHBondContact O-CB 3.35Å; A38-F110 WeakPolarHBondContact O-CD2 3.44Å; A38-F110 WeakPolarHBondContact O-CG 3.46Å; L40-F110 HydrophobicContact CB-CE2 4.15Å; F43-F110 HydrophobicContact CD2-CZ 4.19Å; F43-F110 AromaticContact CE2-CE1 3.86Å; F43-F110 HydrophobicContact CE2-CE1 3.86Å; F43-F110 AromaticContact CE2-CZ 3.94Å; F43-F110 HydrophobicContact CE2-CZ 3.94Å; L71-F110 HydrophobicContact CD1-CE1 3.98Å; L71-F110 HydrophobicContact CD1-CZ 3.92Å; L71-F110 HydrophobicContact CD2-CZ 4.3Å; F110-F117 HydrophobicContact CD1-CB 3.96Å; F110-F117 HydrophobicContact CD2-CB 3.71Å; F110-F117 AromaticContact CD2-CD2 3.42Å; F110-F117 HydrophobicContact CD2-CD2 3.42Å; F110-F117 VanDerWaalsContact CD2-CD2 3.42Å; F110-F117 HydrophobicContact CD2-CE2 4.21Å; F110-F117 AromaticContact CD2-CG 3.71Å; F110-F117 HydrophobicContact CD2-CG 3.71Å; F110-F117 HydrophobicContact CE1-CB 3.77Å; F110-F117 HydrophobicContact CE1-CG 4.44Å; F110-F117 HydrophobicContact CE2-CB 3.49Å; F110-F117 VanDerWaalsContact CE2-CB 3.49Å; F110-F117 AromaticContact CE2-CD1 3.87Å; F110-F117 HydrophobicContact CE2-CD1 3.87Å; F110-F117 AromaticContact CE2-CD2 3.37Å; F110-F117 HydrophobicContact CE2-CD2 3.37Å; F110-F117 HydrophobicContact CE2-CE1 4.44Å; F110-F117 HydrophobicContact CE2-CE2 4.01Å; F110-F117 AromaticContact CE2-CG 3.29Å; F110-F117 HydrophobicContact CE2-CG 3.29Å; F110-F117 HydrophobicContact CE2-CZ 4.5Å; F110-F117 HydrophobicContact CG-CB 3.94Å; F110-F117 HydrophobicContact CG-CD2 4.34Å; F110-F117 HydrophobicContact CG-CG 4.43Å; F110-F117 HydrophobicContact CZ-CB 3.53Å; F110-F117 HydrophobicContact CZ-CD1 4.1Å; F110-F117 HydrophobicContact CZ-CD2 4.26Å; F110-F117 AromaticContact CZ-CG 3.72Å; F110-F117 HydrophobicContact CZ-CG 3.72Å; F110-F117 PolarHBondContact N-O 2.94Å; F110-F117 VanDerWaalsContact N-O 3.08Å; F110-F117 WeakPolarHBondContact O-CA 3.35Å; F110-F117 WeakPolarHBondContact O-CB 3.25Å; F110-F117 PolarHBondContact O-N 3.27Å; F110-F350 VanDerWaalsContact O-CE1 3.26Å; F110-F350 WeakPolarHBondContact O-CE1 3.23Å
111K95.3Very high96.4Very high74 Ų7426.7 Ų26.732%0.32213%0.126SC..EExtended strand (participates in β ladder)trans-142.3154.3-178.464.5-162.2176.8-150.90110.5Y115 L116 F347 A348 F350K111-Y115 WeakPolarHBondContact CA-O 3.32Å; K111-L116 HydrophobicContact CB-CD2 3.7Å; K111-L116 HydrophobicContact CD-CD2 4.48Å; K111-F347 WeakPolarHBondContact CE-O 3.44Å; K111-F347 PolarHBondContact NZ-O 3.3Å; K111-A348 PolarHBondContact NZ-O 3.31Å; K111-F350 HydrophobicContact CB-CD1 4.18Å; K111-F350 HydrophobicContact CD-CB 4.14Å; K111-F350 HydrophobicContact CD-CD1 4.38Å; K111-F350 PolarHBondContact NZ-O 3.3Å
112N95.1Very high96.5Very high42 Ų4226.1 Ų26.123%0.22512%0.119CC..  trans-123.4-165.216472.810.3000109.4K76 V114 Y115 F117K76-N112 WeakPolarHBondContact CE-O 2.86Å; K76-N112 PolarHBondContact NZ-O 3.06Å; N112-V114 PolarHBondContact O-N 3.24Å; N112-V114 PolarHBondContact OD1-N 3.08Å; N112-Y115 PolarHBondContact N-O 2.96Å; N112-Y115 PolarHBondContact OD1-N 2.82Å; N112-Y115 PolarHBondContact OD1-O 2.69Å; N112-F117 HydrophobicContact CB-CE2 4.19Å
113E95.4Very high96.4Very high82 Ų8226.3 Ų26.338%0.38312%0.12SC..SBendtrans-64.2-24.4-176.7-6175.6-164.600113.1S338 N341E113-S338 WeakPolarHBondContact CB-O 3.4Å; E113-S338 VanDerWaalsContact CG-O 3.31Å; E113-S338 WeakPolarHBondContact CG-O 3.33Å; E113-N341 HydrophobicContact CB-CB 4.4Å; E113-N341 HydrophobicContact CG-CB 4.22Å
114V96.3Very high96.3Very high20 Ų2026.4 Ų26.412%0.12112%0.121CC..SBendtrans-115.1-37.2-171.8-1740000113K76 N112 K336 S338K76-V114 WeakPolarHBondContact CB-O 3.42Å; K76-V114 VanDerWaalsContact CG-O 3.3Å; K76-V114 WeakPolarHBondContact CG-O 3.35Å; K76-V114 PolarHBondContact N-O 2.84Å; N112-V114 PolarHBondContact O-N 3.24Å; N112-V114 PolarHBondContact OD1-N 3.08Å; V114-K336 HydrophobicContact CG1-CB 4.1Å; V114-K336 HydrophobicContact CG1-CD 4.41Å; V114-S338 VanDerWaalsContact CG2-CB 3.41Å
115Y97.1Very high96.3Very high20 Ų2026.2 Ų26.28%0.07812%0.12CC..EExtended strand (participates in β ladder)trans-126.3153.3-166.6-60.5-73.2000112.5I73 L74 D75 K111 N112 F117 L335 K336I73-Y115 HydrophobicContact CG2-CD1 3.67Å; I73-Y115 HydrophobicContact CG2-CD2 4.43Å; I73-Y115 HydrophobicContact CG2-CE1 4.27Å; I73-Y115 HydrophobicContact CG2-CG 3.77Å; L74-Y115 CarbonylContact O-C 3.41Å; L74-Y115 VanDerWaalsContact O-CA 3.23Å; L74-Y115 WeakPolarHBondContact O-CA 3.42Å; D75-Y115 HydrophobicContact CB-CD1 4.21Å; D75-Y115 HydrophobicContact CB-CE1 4Å; K111-Y115 WeakPolarHBondContact CA-O 3.32Å; N112-Y115 PolarHBondContact N-O 2.96Å; N112-Y115 PolarHBondContact OD1-N 2.82Å; N112-Y115 PolarHBondContact OD1-O 2.69Å; Y115-F117 HydrophobicContact CD2-CZ 4.34Å; Y115-F117 HydrophobicContact CG-CZ 4.32Å; Y115-L335 HydrophobicContact CE2-CB 3.97Å; Y115-L335 HydrophobicContact CE2-CD2 4.2Å; Y115-K336 HydrophobicContact CE2-CB 4.1Å; Y115-K336 WeakPolarHBondContact CE2-O 3.27Å; Y115-K336 WeakPolarHBondContact OH-CB 3.5Å; Y115-K336 WeakPolarHBondContact OH-CG 3.43Å; Y115-K336 PolarHBondContact OH-N 2.91Å; Y115-K336 VanDerWaalsContact OH-N 3.08Å
116L96.6Very high96.3Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-102.8148.5162.2-49.1174000108.7I73 L74 K76 I79 T88 K111 F347 F350I73-L116 WeakPolarHBondContact CA-O 3.27Å; L74-L116 HydrophobicContact CB-CB 4.29Å; L74-L116 PolarHBondContact N-O 3.32Å; L74-L116 PolarHBondContact O-N 2.72Å; K76-L116 HydrophobicContact CD-CD2 4.35Å; K76-L116 HydrophobicContact CG-CD2 4.03Å; K76-L116 HydrophobicContact CG-CG 3.99Å; I79-L116 HydrophobicContact CD1-CD1 3.7Å; T88-L116 HydrophobicContact CG2-CD1 3.85Å; K111-L116 HydrophobicContact CB-CD2 3.7Å; K111-L116 HydrophobicContact CD-CD2 4.48Å; L116-F347 HydrophobicContact CD1-CD1 3.53Å; L116-F347 HydrophobicContact CD1-CE1 3.47Å; L116-F347 VanDerWaalsContact CD1-CE1 3.47Å; L116-F347 HydrophobicContact CD1-CG 4.22Å; L116-F347 HydrophobicContact CD1-CZ 4.11Å; L116-F347 HydrophobicContact CD2-CB 4.09Å; L116-F347 HydrophobicContact CD2-CD1 4.05Å; L116-F347 HydrophobicContact CD2-CG 3.97Å; L116-F347 HydrophobicContact CG-CD1 4.36Å; L116-F350 HydrophobicContact CB-CD1 4.27Å; L116-F350 HydrophobicContact CB-CD2 4.33Å; L116-F350 HydrophobicContact CB-CE1 3.88Å; L116-F350 HydrophobicContact CB-CE2 3.93Å; L116-F350 HydrophobicContact CB-CZ 3.69Å; L116-F350 HydrophobicContact CD1-CD2 3.74Å; L116-F350 HydrophobicContact CD1-CE2 3.88Å; L116-F350 HydrophobicContact CD1-CG 4.23Å; L116-F350 HydrophobicContact CD1-CZ 4.48Å; L116-F350 HydrophobicContact CD2-CB 4.17Å; L116-F350 HydrophobicContact CD2-CD1 3.86Å; L116-F350 HydrophobicContact CD2-CD2 4.16Å; L116-F350 HydrophobicContact CD2-CE1 4.34Å; L116-F350 HydrophobicContact CD2-CG 3.77Å; L116-F350 HydrophobicContact CG-CD2 4.29Å; L116-F350 HydrophobicContact CG-CE2 4.34Å; L116-F350 HydrophobicContact CG-CG 4.38Å; L116-F350 HydrophobicContact CG-CZ 4.49Å
117F96.7Very high96.3Very high0 Ų023.2 Ų23.20%011%0.109CC..EExtended strand (participates in β ladder)trans-131.4128.6-174.7-58.5-89.8000110.6L40 L71 K72 I73 S109 F110 N112 Y115L40-F117 HydrophobicContact CB-CZ 4.45Å; L40-F117 HydrophobicContact CD1-CD1 4.42Å; L40-F117 HydrophobicContact CD1-CE1 3.88Å; L40-F117 HydrophobicContact CD1-CZ 4.42Å; L40-F117 HydrophobicContact CD2-CE1 4.18Å; L40-F117 HydrophobicContact CD2-CZ 4.03Å; L40-F117 HydrophobicContact CG-CE1 4.47Å; L71-F117 HydrophobicContact CD1-CB 4.04Å; L71-F117 HydrophobicContact CD1-CD1 4.36Å; L71-F117 HydrophobicContact CD2-CD1 3.83Å; L71-F117 HydrophobicContact CD2-CE1 4.4Å; L71-F117 HydrophobicContact CG-CD1 4.07Å; K72-F117 WeakPolarHBondContact O-CA 3.34Å; I73-F117 HydrophobicContact CB-CD1 4.39Å; I73-F117 HydrophobicContact CB-CE1 4.37Å; I73-F117 HydrophobicContact CG1-CD1 3.81Å; I73-F117 HydrophobicContact CG1-CE1 3.89Å; I73-F117 HydrophobicContact CG2-CD1 4.22Å; I73-F117 HydrophobicContact CG2-CE1 3.79Å; I73-F117 HydrophobicContact CG2-CZ 4.47Å; S109-F117 WeakPolarHBondContact CA-O 3.39Å; F110-F117 HydrophobicContact CD1-CB 3.96Å; F110-F117 HydrophobicContact CD2-CB 3.71Å; F110-F117 AromaticContact CD2-CD2 3.42Å; F110-F117 HydrophobicContact CD2-CD2 3.42Å; F110-F117 VanDerWaalsContact CD2-CD2 3.42Å; F110-F117 HydrophobicContact CD2-CE2 4.21Å; F110-F117 AromaticContact CD2-CG 3.71Å; F110-F117 HydrophobicContact CD2-CG 3.71Å; F110-F117 HydrophobicContact CE1-CB 3.77Å; F110-F117 HydrophobicContact CE1-CG 4.44Å; F110-F117 HydrophobicContact CE2-CB 3.49Å; F110-F117 VanDerWaalsContact CE2-CB 3.49Å; F110-F117 AromaticContact CE2-CD1 3.87Å; F110-F117 HydrophobicContact CE2-CD1 3.87Å; F110-F117 AromaticContact CE2-CD2 3.37Å; F110-F117 HydrophobicContact CE2-CD2 3.37Å; F110-F117 HydrophobicContact CE2-CE1 4.44Å; F110-F117 HydrophobicContact CE2-CE2 4.01Å; F110-F117 AromaticContact CE2-CG 3.29Å; F110-F117 HydrophobicContact CE2-CG 3.29Å; F110-F117 HydrophobicContact CE2-CZ 4.5Å; F110-F117 HydrophobicContact CG-CB 3.94Å; F110-F117 HydrophobicContact CG-CD2 4.34Å; F110-F117 HydrophobicContact CG-CG 4.43Å; F110-F117 HydrophobicContact CZ-CB 3.53Å; F110-F117 HydrophobicContact CZ-CD1 4.1Å; F110-F117 HydrophobicContact CZ-CD2 4.26Å; F110-F117 AromaticContact CZ-CG 3.72Å; F110-F117 HydrophobicContact CZ-CG 3.72Å; F110-F117 PolarHBondContact N-O 2.94Å; F110-F117 VanDerWaalsContact N-O 3.08Å; F110-F117 WeakPolarHBondContact O-CA 3.35Å; F110-F117 WeakPolarHBondContact O-CB 3.25Å; F110-F117 PolarHBondContact O-N 3.27Å; N112-F117 HydrophobicContact CB-CE2 4.19Å; Y115-F117 HydrophobicContact CD2-CZ 4.34Å; Y115-F117 HydrophobicContact CG-CZ 4.32Å
118L96.2Very high96.5Very high0 Ų021.7 Ų21.70%010%0.102CC..EExtended strand (participates in β ladder)trans-117.8109.2167.7-58.4175.5000108.2L71 K72 K92 L95 L106 L120 F350L71-L118 WeakPolarHBondContact CA-O 3.49Å; K72-L118 HydrophobicContact CB-CB 4.21Å; K72-L118 HydrophobicContact CD-CD1 4.47Å; K72-L118 PolarHBondContact N-O 2.86Å; K72-L118 PolarHBondContact O-N 3.38Å; K92-L118 HydrophobicContact CB-CD2 4.02Å; K92-L118 HydrophobicContact CD-CD2 4.41Å; K92-L118 HydrophobicContact CG-CD2 3.79Å; L95-L118 HydrophobicContact CD1-CD1 4.26Å; L106-L118 HydrophobicContact CD1-CB 3.74Å; L106-L118 HydrophobicContact CD1-CD2 3.97Å; L106-L118 HydrophobicContact CD1-CG 4.42Å; L106-L118 HydrophobicContact CD2-CD2 4.22Å; L118-L120 HydrophobicContact CB-CD2 4.49Å; L118-L120 PolarHBondContact O-N 2.69Å; L118-F350 HydrophobicContact CD2-CE1 4.48Å; L118-F350 HydrophobicContact CD2-CE2 4.22Å; L118-F350 HydrophobicContact CD2-CZ 3.57Å; L118-F350 HydrophobicContact CG-CZ 4.16Å
119G96.8Very high96.5Very high0 Ų022.6 Ų22.60%011%0.107CC..EExtended strand (participates in β ladder)trans-84.599.3174.900000109.9E107 Y108E107-G119 PolarHBondContact N-O 3.44Å; Y108-G119 PolarHBondContact N-O 2.97Å; Y108-G119 VanDerWaalsContact N-O 3.11Å; Y108-G119 PolarHBondContact O-N 2.79Å
120L97.2Very high96.6Very high19 Ų1923.6 Ų23.610%0.09911%0.114CC..EExtended strand (participates in β ladder)trans-92.1156.4-178.8-55.4171.4000110.9F69 A70 K72 L95 I104 R105 L106 L118 Y122F69-L120 WeakPolarHBondContact CA-O 3.48Å; F69-L120 WeakPolarHBondContact CB-O 3.34Å; A70-L120 HydrophobicContact CB-CB 4.32Å; A70-L120 PolarHBondContact N-O 2.8Å; A70-L120 WeakPolarHBondContact O-CB 3.43Å; A70-L120 PolarHBondContact O-N 3.41Å; K72-L120 HydrophobicContact CB-CD1 4.47Å; L95-L120 HydrophobicContact CD1-CD2 4.13Å; I104-L120 HydrophobicContact CG1-CB 4.22Å; R105-L120 WeakPolarHBondContact O-CA 3.26Å; L106-L120 HydrophobicContact CB-CD2 4.23Å; L106-L120 HydrophobicContact CD1-CD2 3.72Å; L118-L120 HydrophobicContact CB-CD2 4.49Å; L118-L120 PolarHBondContact O-N 2.69Å; L120-Y122 PolarHBondContact O-N 3.09Å
121E96.5Very high96.7Very high43 Ų4323.6 Ų23.620%0.20111%0.114CC..EExtended strand (participates in β ladder)trans-46.5132.3163.7178.1179.8-17600110.3I104 R105 V123 K181I104-E121 HydrophobicContact CD1-CB 3.96Å; I104-E121 HydrophobicContact CD1-CG 4.45Å; I104-E121 WeakPolarHBondContact CD1-O 3.19Å; I104-E121 HydrophobicContact CG1-CB 4.4Å; R105-E121 HydrophobicContact CB-CB 4.49Å; R105-E121 IonicContact NE-OE2 2.85Å; R105-E121 PolarHBondContact O-N 3.11Å; E121-V123 HydrophobicContact CG-CG2 4.26Å; E121-K181 VanDerWaalsContact OE1-CE 3.22Å; E121-K181 WeakPolarHBondContact OE1-CE 3.43Å; E121-K181 IonicContact OE1-NZ 3.81Å; E121-K181 PolarHBondContact OE1-NZ 3.28Å; E121-K181 WeakPolarHBondContact OE2-CE 3.23Å; E121-K181 IonicContact OE2-NZ 2.8Å; E121-K181 PolarHBondContact OE2-NZ 3.37Å
122Y97.8Very high96.9Very high27 Ų2720.2 Ų20.211%0.10610%0.099CC..PPolyproline II helixtrans-89.4122.2174179.6-123.8000111L49 L59 F68 A70 L120 P321 D323 A324 F327L49-Y122 HydrophobicContact CD1-CD2 3.81Å; L49-Y122 HydrophobicContact CD1-CE2 3.54Å; L49-Y122 HydrophobicContact CD2-CE2 3.96Å; L49-Y122 HydrophobicContact CG-CE2 4.42Å; L59-Y122 HydrophobicContact CD1-CD1 3.69Å; L59-Y122 HydrophobicContact CD1-CD2 3.76Å; L59-Y122 HydrophobicContact CD1-CE1 3.73Å; L59-Y122 HydrophobicContact CD1-CE2 3.83Å; L59-Y122 HydrophobicContact CD1-CG 3.7Å; L59-Y122 HydrophobicContact CD2-CE1 4.4Å; F68-Y122 HydrophobicContact CB-CD1 3.95Å; F68-Y122 HydrophobicContact CB-CG 4.46Å; A70-Y122 HydrophobicContact CB-CD2 4.36Å; L120-Y122 PolarHBondContact O-N 3.09Å; Y122-P321 WeakPolarHBondContact CD1-O 3.39Å; Y122-P321 WeakPolarHBondContact CE1-O 3.22Å; Y122-D323 PolarHBondContact OH-O 3.04Å; Y122-A324 WeakPolarHBondContact OH-CA 3.28Å; Y122-A324 WeakPolarHBondContact OH-CB 3.33Å; Y122-F327 AromaticContact CE2-CE2 3.79Å; Y122-F327 HydrophobicContact CE2-CE2 3.79Å; Y122-F327 HydrophobicContact CE2-CZ 4.04Å; Y122-F327 AromaticContact CZ-CE2 3.96Å; Y122-F327 WeakPolarHBondContact OH-CE2 3.41Å
123V97.6Very high97Very high3 Ų326.1 Ų26.12%0.01812%0.118CC..  trans-112.296.6-178-174.60000109I104 E121 G125 L173 L174 D175 K181 F327I104-V123 HydrophobicContact CD1-CG2 3.48Å; I104-V123 VanDerWaalsContact CD1-CG2 3.48Å; E121-V123 HydrophobicContact CG-CG2 4.26Å; V123-G125 VanDerWaalsContact C-N 3.32Å; V123-G125 PolarHBondContact O-N 3.24Å; V123-L173 HydrophobicContact CB-CB 4.02Å; V123-L173 HydrophobicContact CB-CD1 3.9Å; V123-L173 HydrophobicContact CG1-CB 3.65Å; V123-L173 HydrophobicContact CG1-CD1 4.47Å; V123-L173 HydrophobicContact CG2-CD1 4.25Å; V123-L174 VanDerWaalsContact CG1-C 3.46Å; V123-L174 WeakPolarHBondContact CG1-O 3.41Å; V123-D175 HydrophobicContact CG1-CB 4.18Å; V123-K181 HydrophobicContact CG1-CB 4.34Å; V123-K181 HydrophobicContact CG1-CG 4.23Å; V123-K181 HydrophobicContact CG2-CB 3.93Å; V123-K181 HydrophobicContact CG2-CG 3.78Å; V123-F327 VanDerWaalsContact O-CZ 3.25Å; V123-F327 WeakPolarHBondContact O-CZ 3.48Å
124S96.6Very high97Very high5 Ų530 Ų304%0.03513%0.129CC..THydrogen-bonded Turntrans-74.4-12.8-165.459.60000116.1G126 C318 D323 N326S124-G126 PolarHBondContact O-N 3.31Å; S124-C318 PolarHBondContact OG-SG 2.93Å; S124-C318 VanDerWaalsContact OG-SG 3.34Å; S124-D323 WeakPolarHBondContact CB-O 3.48Å; S124-N326 PolarHBondContact O-ND2 2.94Å; S124-N326 VanDerWaalsContact O-ND2 3.09Å
125G97Very high97.1Very high0 Ų034.6 Ų34.60%015%0.148CC..THydrogen-bonded Turntrans-74.4-12-179.400000114V123 Y131 L174 N326V123-G125 VanDerWaalsContact C-N 3.32Å; V123-G125 PolarHBondContact O-N 3.24Å; G125-Y131 WeakPolarHBondContact O-CE2 3.18Å; G125-Y131 VanDerWaalsContact O-CZ 3.29Å; G125-Y131 PolarHBondContact O-OH 2.72Å; G125-L174 CarbonylContact C-O 3.58Å; G125-L174 WeakPolarHBondContact CA-O 3.35Å; G125-L174 PolarHBondContact N-O 3.06Å; G125-L174 VanDerWaalsContact N-O 3.1Å; G125-N326 WeakPolarHBondContact O-CB 3.44Å
126G96Very high97.1Very high0 Ų035.7 Ų35.70%017%0.165CC..  trans77.3-170.1177.800000113.6S124 L173 L174S124-G126 PolarHBondContact O-N 3.31Å; G126-L173 CarbonylContact O-C 3.59Å; G126-L173 VanDerWaalsContact O-CA 3.29Å; G126-L173 WeakPolarHBondContact O-CA 3.11Å; G126-L174 PolarHBondContact O-N 3.49Å
127E96.8Very high97.2Very high50 Ų5041.4 Ų41.423%0.23419%0.186CC..BIsolated β-bridgetrans-80.4138.6-170.3-61.6165.7-172.500112.7F129 S130 Y131 L173E127-F129 HydrophobicContact CB-CB 4.32Å; E127-F129 PolarHBondContact O-N 2.96Å; E127-S130 WeakPolarHBondContact O-CB 3.29Å; E127-S130 PolarHBondContact O-N 2.97Å; E127-S130 VanDerWaalsContact O-N 3.13Å; E127-Y131 WeakPolarHBondContact O-CD2 3.46Å; E127-L173 HydrophobicContact CB-CD2 4.36Å; E127-L173 HydrophobicContact CG-CD2 3.69Å
128M98.2Very high97.3Very high1 Ų141.8 Ų41.81%0.00519%0.188CC..Hα-helixtrans-55.4-36.5171.8178178.7-71.200111.3S130 Y131 L132 F138 Y146 P169 I172 L174 I180 M231M128-S130 VanDerWaalsContact C-N 3.31Å; M128-S130 PolarHBondContact O-N 3.25Å; M128-Y131 PolarHBondContact O-N 3.34Å; M128-L132 PolarHBondContact O-N 3.18Å; M128-F138 HydrophobicContact CG-CE2 3.92Å; M128-F138 HydrophobicContact CG-CZ 4.23Å; M128-F138 HydrophobicContact SD-CE2 4.25Å; M128-Y146 HydrophobicContact CE-CD1 3.76Å; M128-Y146 HydrophobicContact CE-CD2 3.97Å; M128-Y146 HydrophobicContact CE-CE1 4.35Å; M128-Y146 HydrophobicContact CE-CG 3.55Å; M128-P169 HydrophobicContact CB-CB 4.48Å; M128-P169 WeakPolarHBondContact CB-O 3.35Å; M128-P169 HydrophobicContact CG-CB 4.42Å; M128-P169 PolarHBondContact N-O 2.67Å; M128-I172 HydrophobicContact CB-CB 4.1Å; M128-I172 HydrophobicContact CB-CG2 4.22Å; M128-I172 WeakPolarHBondContact CB-O 3.28Å; M128-I172 HydrophobicContact CE-CB 4.37Å; M128-I172 HydrophobicContact CE-CG2 3.59Å; M128-I172 PolarHBondContact N-O 3.26Å; M128-I172 HydrophobicContact SD-CB 4.43Å; M128-I172 HydrophobicContact SD-CD1 4.21Å; M128-I172 HydrophobicContact SD-CG2 4.26Å; M128-L174 HydrophobicContact CE-CD2 4.23Å; M128-I180 HydrophobicContact CE-CG2 4.03Å; M128-M231 HydrophobicContact SD-CG 4.43Å; M128-M231 HydrophobicContact SD-SD 3.92Å
129F97.4Very high97.3Very high63 Ų6345.3 Ų45.328%0.27621%0.212SC..Hα-helixtrans-48.4-51.3174.5-177.5-102.2000112.3E127 Y131 L132 R133 P169 E170E127-F129 HydrophobicContact CB-CB 4.32Å; E127-F129 PolarHBondContact O-N 2.96Å; F129-Y131 VanDerWaalsContact C-N 3.29Å; F129-Y131 PolarHBondContact O-N 2.97Å; F129-L132 PolarHBondContact O-N 2.94Å; F129-R133 HydrophobicContact CD1-CG 4.16Å; F129-R133 HydrophobicContact CD2-CG 4.32Å; F129-R133 HydrophobicContact CE1-CG 3.81Å; F129-R133 HydrophobicContact CE2-CG 3.99Å; F129-R133 HydrophobicContact CG-CG 4.4Å; F129-R133 HydrophobicContact CZ-CG 3.72Å; F129-R133 WeakPolarHBondContact O-CB 3.46Å; F129-R133 VanDerWaalsContact O-CG 3.32Å; F129-R133 WeakPolarHBondContact O-CG 3.24Å; F129-R133 PolarHBondContact O-N 3.02Å; F129-P169 HydrophobicContact CB-CB 3.84Å; F129-P169 HydrophobicContact CD2-CB 4.22Å; F129-P169 PolarHBondContact N-O 3.25Å; F129-P169 VanDerWaalsContact N-O 3.13Å; F129-E170 HydrophobicContact CB-CG 3.92Å; F129-E170 HydrophobicContact CD1-CG 4.4Å; F129-E170 HydrophobicContact CD2-CG 3.97Å; F129-E170 WeakPolarHBondContact CD2-OE1 3.47Å; F129-E170 WeakPolarHBondContact CE2-OE1 3.32Å; F129-E170 HydrophobicContact CG-CG 3.85Å
130S96.7Very high97.4Very high32 Ų3247 Ų4722%0.22422%0.22CC..Hα-helixtrans-59.5-38179.4-750000112.7E127 M128 R134E127-S130 WeakPolarHBondContact O-CB 3.29Å; E127-S130 PolarHBondContact O-N 2.97Å; E127-S130 VanDerWaalsContact O-N 3.13Å; M128-S130 VanDerWaalsContact C-N 3.31Å; M128-S130 PolarHBondContact O-N 3.25Å; S130-R134 VanDerWaalsContact O-CB 3.27Å; S130-R134 WeakPolarHBondContact O-CB 3.2Å; S130-R134 PolarHBondContact O-N 3.21Å; S130-R134 VanDerWaalsContact O-N 3.15Å
131Y97.6Very high97.5Very high15 Ų1549.7 Ų49.76%0.05924%0.241CC..Hα-helixtrans-72.3-41.5176.8-67.5-80.1000112.8G125 E127 M128 F129 R134 K135 L174 L314 P316G125-Y131 WeakPolarHBondContact O-CE2 3.18Å; G125-Y131 VanDerWaalsContact O-CZ 3.29Å; G125-Y131 PolarHBondContact O-OH 2.72Å; E127-Y131 WeakPolarHBondContact O-CD2 3.46Å; M128-Y131 PolarHBondContact O-N 3.34Å; F129-Y131 VanDerWaalsContact C-N 3.29Å; F129-Y131 PolarHBondContact O-N 2.97Å; Y131-R134 VanDerWaalsContact CE1-NH2 3.3Å; Y131-R134 PolarHBondContact O-N 3.46Å; Y131-K135 WeakPolarHBondContact O-CB 3.33Å; Y131-K135 PolarHBondContact O-N 2.69Å; Y131-L174 HydrophobicContact CD2-CD1 3.71Å; Y131-L174 HydrophobicContact CD2-CG 4.39Å; Y131-L174 HydrophobicContact CE2-CD1 3.82Å; Y131-L174 HydrophobicContact CE2-CG 4.36Å; Y131-L174 HydrophobicContact CG-CD1 4.24Å; Y131-L314 HydrophobicContact CD1-CD1 3.55Å; Y131-L314 HydrophobicContact CD1-CD2 3.8Å; Y131-L314 HydrophobicContact CD1-CG 4.3Å; Y131-L314 HydrophobicContact CE1-CD1 4.24Å; Y131-L314 HydrophobicContact CE1-CD2 3.72Å; Y131-L314 HydrophobicContact CG-CD1 4.07Å; Y131-L314 HydrophobicContact CG-CD2 4.36Å; Y131-P316 WeakPolarHBondContact OH-CB 3.43Å
132L98.3Very high97.6Very high3 Ų348 Ų482%0.01623%0.234CC..Hα-helixtrans-62.6-49178.8-178.959.6000110.4M128 F129 R134 K135 G136 F138 P169 E230M128-L132 PolarHBondContact O-N 3.18Å; F129-L132 PolarHBondContact O-N 2.94Å; L132-R134 PolarHBondContact O-N 2.81Å; L132-K135 PolarHBondContact O-N 3.15Å; L132-G136 CarbonylContact O-C 3.46Å; L132-G136 WeakPolarHBondContact O-CA 3.34Å; L132-G136 PolarHBondContact O-N 3.3Å; L132-F138 HydrophobicContact CB-CE1 4.31Å; L132-F138 HydrophobicContact CB-CE2 4.45Å; L132-F138 HydrophobicContact CB-CZ 4Å; L132-F138 HydrophobicContact CD1-CD1 4.15Å; L132-F138 HydrophobicContact CD1-CD2 4.31Å; L132-F138 HydrophobicContact CD1-CE1 4.25Å; L132-F138 HydrophobicContact CD1-CE2 4.41Å; L132-F138 HydrophobicContact CD1-CG 4.18Å; L132-F138 HydrophobicContact CD1-CZ 4.38Å; L132-P169 HydrophobicContact CD2-CG 4.33Å; L132-E230 HydrophobicContact CD2-CG 3.76Å
133R97.3Very high97.6Very high165 Ų16546.7 Ų46.762%0.62323%0.229SC*.Hα-helixtrans-58.4-45.7176.7-67.5-59.9-62176-4.4112.3F129 G136F129-R133 HydrophobicContact CD1-CG 4.16Å; F129-R133 HydrophobicContact CD2-CG 4.32Å; F129-R133 HydrophobicContact CE1-CG 3.81Å; F129-R133 HydrophobicContact CE2-CG 3.99Å; F129-R133 HydrophobicContact CG-CG 4.4Å; F129-R133 HydrophobicContact CZ-CG 3.72Å; F129-R133 WeakPolarHBondContact O-CB 3.46Å; F129-R133 VanDerWaalsContact O-CG 3.32Å; F129-R133 WeakPolarHBondContact O-CG 3.24Å; F129-R133 PolarHBondContact O-N 3.02Å; R133-G136 PolarHBondContact O-N 2.87Å
134R96.7Very high97.6Very high165 Ų16548.5 Ų48.562%0.62324%0.235SC*.Hα-helixtrans-66.3-37179.2175.2168.843.4-129.3-6.8113.4S130 Y131 L132S130-R134 VanDerWaalsContact O-CB 3.27Å; S130-R134 WeakPolarHBondContact O-CB 3.2Å; S130-R134 PolarHBondContact O-N 3.21Å; S130-R134 VanDerWaalsContact O-N 3.15Å; Y131-R134 VanDerWaalsContact CE1-NH2 3.3Å; Y131-R134 PolarHBondContact O-N 3.46Å; L132-R134 PolarHBondContact O-N 2.81Å
135K97.2Very high97.7Very high116 Ų11648.8 Ų48.850%0.50424%0.236SC..Hα-helixtrans-82.9-13.5176.7-74.4-166.6169.5-172.50113.2Y131 L132 R137 F138 L314Y131-K135 WeakPolarHBondContact O-CB 3.33Å; Y131-K135 PolarHBondContact O-N 2.69Å; L132-K135 PolarHBondContact O-N 3.15Å; K135-R137 PolarHBondContact O-N 2.96Å; K135-F138 HydrophobicContact CB-CD1 4.4Å; K135-F138 HydrophobicContact CB-CE1 4.38Å; K135-F138 HydrophobicContact CD-CD1 3.97Å; K135-F138 HydrophobicContact CD-CE1 3.96Å; K135-L314 HydrophobicContact CD-CD1 4.34Å
136G98Very high97.8Very high42 Ų4248.9 Ų48.943%0.43324%0.236SC..SBendtrans75.8-47.7-168.900000112.4L132 R133 G234L132-G136 CarbonylContact O-C 3.46Å; L132-G136 WeakPolarHBondContact O-CA 3.34Å; L132-G136 PolarHBondContact O-N 3.3Å; R133-G136 PolarHBondContact O-N 2.87Å; G136-G234 WeakPolarHBondContact O-CA 3.28Å
137R98.1Very high97.9Very high121 Ų12149 Ų4946%0.45724%0.237SC..SBendtrans-156.9161.4174.462.5-177-179.1179.74.4111K135 V232 H260K135-R137 PolarHBondContact O-N 2.96Å; R137-V232 WeakPolarHBondContact CD-O 3.39Å; R137-H260 PolarHBondContact NH1-CD2 3.48Å; R137-H260 PolarHBondContact NH1-CE1 3.5Å; R137-H260 PolarHBondContact NH1-ND1 3.25Å; R137-H260 PolarHBondContact NH1-NE2 3.22Å
138F98.5Very high98Very high8 Ų846.6 Ų46.64%0.03523%0.226CC..  trans-92.8156.7168.8-63.6-19.7000111.7M128 L132 K135 A142 Y146 M231M128-F138 HydrophobicContact CG-CE2 3.92Å; M128-F138 HydrophobicContact CG-CZ 4.23Å; M128-F138 HydrophobicContact SD-CE2 4.25Å; L132-F138 HydrophobicContact CB-CE1 4.31Å; L132-F138 HydrophobicContact CB-CE2 4.45Å; L132-F138 HydrophobicContact CB-CZ 4Å; L132-F138 HydrophobicContact CD1-CD1 4.15Å; L132-F138 HydrophobicContact CD1-CD2 4.31Å; L132-F138 HydrophobicContact CD1-CE1 4.25Å; L132-F138 HydrophobicContact CD1-CE2 4.41Å; L132-F138 HydrophobicContact CD1-CG 4.18Å; L132-F138 HydrophobicContact CD1-CZ 4.38Å; K135-F138 HydrophobicContact CB-CD1 4.4Å; K135-F138 HydrophobicContact CB-CE1 4.38Å; K135-F138 HydrophobicContact CD-CD1 3.97Å; K135-F138 HydrophobicContact CD-CE1 3.96Å; F138-A142 HydrophobicContact CB-CB 4.15Å; F138-Y146 HydrophobicContact CD2-CD2 4.03Å; F138-Y146 HydrophobicContact CD2-CE2 4.14Å; F138-Y146 HydrophobicContact CE2-CD2 4.01Å; F138-Y146 AromaticContact CE2-CE2 3.95Å; F138-Y146 HydrophobicContact CE2-CE2 3.95Å; F138-M231 WeakPolarHBondContact CB-O 3.4Å; F138-M231 HydrophobicContact CD2-CB 4.07Å; F138-M231 HydrophobicContact CD2-CG 3.93Å; F138-M231 HydrophobicContact CD2-SD 4.01Å; F138-M231 HydrophobicContact CE2-CG 4.33Å; F138-M231 HydrophobicContact CE2-SD 4.35Å; F138-M231 PolarHBondContact N-O 3.06Å
139S98.2Very high98Very high73 Ų7346.6 Ų46.651%0.5123%0.226SC..  trans-69.5156.2167.265.70000109.9S141 A142 A143S139-S141 PolarHBondContact O-N 3.01Å; S139-A142 PolarHBondContact O-N 3.28Å; S139-A142 VanDerWaalsContact O-N 3.08Å; S139-A142 PolarHBondContact OG-N 3.31Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.29Å
140E98.5Very high98.1Very high35 Ų3543.7 Ų43.716%0.16421%0.213CC..Hα-helixtrans-58.1-32.8174.2-68.9-164.6-159.100112.3R144 V232 S262 L265 W296E140-R144 WeakPolarHBondContact O-CB 3.36Å; E140-R144 PolarHBondContact O-N 3.33Å; E140-V232 HydrophobicContact CG-CG1 3.79Å; E140-V232 HydrophobicContact CG-CG2 4.27Å; E140-S262 WeakPolarHBondContact OE1-CB 3.25Å; E140-S262 PolarHBondContact OE1-N 3.21Å; E140-S262 PolarHBondContact OE1-OG 3Å; E140-S262 WeakPolarHBondContact OE2-CB 3.38Å; E140-S262 PolarHBondContact OE2-OG 2.91Å; E140-L265 HydrophobicContact CG-CD2 3.92Å; E140-L265 WeakPolarHBondContact OE1-CD2 3.02Å; E140-W296 HydrophobicContact CB-CZ2 4.19Å; E140-W296 PolarHBondContact OE2-NE1 3.44Å
141S98Very high98.2Very high77 Ų7742.3 Ų42.354%0.53820%0.203SC..Hα-helixtrans-63-45.9174.9-168.70000112.1S139 R144 F145S139-S141 PolarHBondContact O-N 3.01Å; S141-R144 PolarHBondContact O-N 3.22Å; S141-F145 PolarHBondContact O-N 3.03Å
142A98.3Very high98.2Very high6 Ų641.8 Ų41.85%0.0520%0.202CC..Hα-helixtrans-68.3-43.3177.200000112F138 S139 R144 F145 Y146 P313F138-A142 HydrophobicContact CB-CB 4.15Å; S139-A142 PolarHBondContact O-N 3.28Å; S139-A142 VanDerWaalsContact O-N 3.08Å; S139-A142 PolarHBondContact OG-N 3.31Å; A142-R144 VanDerWaalsContact C-N 3.27Å; A142-R144 PolarHBondContact O-N 3.02Å; A142-F145 PolarHBondContact O-N 2.86Å; A142-Y146 HydrophobicContact CB-CE2 4.42Å; A142-Y146 WeakPolarHBondContact O-CD2 3.47Å; A142-Y146 PolarHBondContact O-N 2.8Å; A142-P313 HydrophobicContact CB-CB 3.77Å; A142-P313 HydrophobicContact CB-CG 3.75Å
143A98.6Very high98.2Very high0 Ų041.7 Ų41.70%020%0.201CC..Hα-helixtrans-60-37.9175.200000111.9S139 Y146 S147 M231 V232 W296S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.29Å; A143-Y146 PolarHBondContact O-N 3.44Å; A143-S147 VanDerWaalsContact O-CB 3.23Å; A143-S147 WeakPolarHBondContact O-CB 3.49Å; A143-S147 PolarHBondContact O-N 3.1Å; A143-S147 PolarHBondContact O-OG 3Å; A143-M231 HydrophobicContact CB-CB 3.94Å; A143-M231 HydrophobicContact CB-CE 4.03Å; A143-M231 HydrophobicContact CB-SD 4.37Å; A143-M231 WeakPolarHBondContact O-CE 3.39Å; A143-V232 HydrophobicContact CB-CG2 3.45Å; A143-V232 VanDerWaalsContact CB-CG2 3.45Å; A143-W296 HydrophobicContact CB-CH2 4.21Å; A143-W296 HydrophobicContact CB-CZ2 4.48Å
144R98.5Very high98.3Very high41 Ų4133.8 Ų33.816%0.15517%0.171CC..Hα-helixtrans-64.1-45.1174.8-175.1-173.6-61.4109.77.2112E140 S141 A142 S147 S148 W296 F297 L300E140-R144 WeakPolarHBondContact O-CB 3.36Å; E140-R144 PolarHBondContact O-N 3.33Å; S141-R144 PolarHBondContact O-N 3.22Å; A142-R144 VanDerWaalsContact C-N 3.27Å; A142-R144 PolarHBondContact O-N 3.02Å; R144-S147 WeakPolarHBondContact CA-OG 3.42Å; R144-S147 PolarHBondContact O-OG 3.29Å; R144-S148 WeakPolarHBondContact O-CB 3.42Å; R144-S148 PolarHBondContact O-N 3.29Å; R144-S148 PolarHBondContact O-OG 2.81Å; R144-W296 VanDerWaalsContact CA-CH2 3.45Å; R144-W296 HydrophobicContact CB-CE3 4.5Å; R144-W296 HydrophobicContact CB-CH2 3.71Å; R144-W296 HydrophobicContact CB-CZ2 4.1Å; R144-W296 HydrophobicContact CB-CZ3 3.91Å; R144-W296 HydrophobicContact CG-CE3 4.37Å; R144-W296 HydrophobicContact CG-CH2 4.41Å; R144-W296 HydrophobicContact CG-CZ3 4.13Å; R144-W296 PolarHBondContact NE-O 3.13Å; R144-W296 PolarHBondContact NH2-O 3.49Å; R144-F297 HydrophobicContact CG-CD1 3.67Å; R144-F297 HydrophobicContact CG-CE1 3.85Å; R144-L300 HydrophobicContact CG-CD1 4.09Å
145F98.6Very high98.3Very high12 Ų1226.8 Ų26.85%0.05315%0.146CC..Hα-helixtrans-59.9-44.4176.3173-94.9000112.1S141 A142 S148 Q149 Y179 I305 V310 A312 P313S141-F145 PolarHBondContact O-N 3.03Å; A142-F145 PolarHBondContact O-N 2.86Å; F145-S148 PolarHBondContact O-OG 2.94Å; F145-Q149 VanDerWaalsContact CZ-NE2 3.32Å; F145-Q149 PolarHBondContact O-NE2 3.09Å; F145-Y179 AromaticContact CE2-CE1 3.99Å; F145-Y179 HydrophobicContact CE2-CE1 3.99Å; F145-Y179 HydrophobicContact CE2-CE2 4.35Å; F145-Y179 AromaticContact CE2-CZ 3.83Å; F145-Y179 AromaticContact CZ-CD1 3.99Å; F145-Y179 HydrophobicContact CZ-CD1 3.99Å; F145-Y179 HydrophobicContact CZ-CD2 4.09Å; F145-Y179 AromaticContact CZ-CE1 3.79Å; F145-Y179 HydrophobicContact CZ-CE1 3.79Å; F145-Y179 AromaticContact CZ-CE2 3.89Å; F145-Y179 HydrophobicContact CZ-CE2 3.89Å; F145-Y179 HydrophobicContact CZ-CG 4.14Å; F145-Y179 AromaticContact CZ-CZ 3.72Å; F145-I305 HydrophobicContact CD2-CD1 3.65Å; F145-I305 HydrophobicContact CE2-CD1 3.9Å; F145-V310 HydrophobicContact CD2-CG1 4.09Å; F145-V310 HydrophobicContact CE2-CB 4.2Å; F145-V310 HydrophobicContact CE2-CG1 4.13Å; F145-A312 HydrophobicContact CE1-CB 3.83Å; F145-A312 HydrophobicContact CZ-CB 3.69Å; F145-P313 HydrophobicContact CB-CG 4.25Å; F145-P313 HydrophobicContact CD1-CG 3.78Å; F145-P313 VanDerWaalsContact CE1-CD 3.48Å; F145-P313 HydrophobicContact CE1-CG 4.42Å; F145-P313 HydrophobicContact CG-CG 4.16Å
146Y98.8Very high98.3Very high2 Ų221.4 Ų21.41%0.00812%0.122CC..Hα-helixtrans-74.2-43.8-179.9-66.8-51.8000112.8M128 F138 A142 A143 S148 Q149 V150 L174 G178 I180 M231 P313 L314M128-Y146 HydrophobicContact CE-CD1 3.76Å; M128-Y146 HydrophobicContact CE-CD2 3.97Å; M128-Y146 HydrophobicContact CE-CE1 4.35Å; M128-Y146 HydrophobicContact CE-CG 3.55Å; F138-Y146 HydrophobicContact CD2-CD2 4.03Å; F138-Y146 HydrophobicContact CD2-CE2 4.14Å; F138-Y146 HydrophobicContact CE2-CD2 4.01Å; F138-Y146 AromaticContact CE2-CE2 3.95Å; F138-Y146 HydrophobicContact CE2-CE2 3.95Å; A142-Y146 HydrophobicContact CB-CE2 4.42Å; A142-Y146 WeakPolarHBondContact O-CD2 3.47Å; A142-Y146 PolarHBondContact O-N 2.8Å; A143-Y146 PolarHBondContact O-N 3.44Å; Y146-S148 VanDerWaalsContact C-N 3.31Å; Y146-S148 PolarHBondContact O-N 3.38Å; Y146-Q149 PolarHBondContact O-N 2.64Å; Y146-V150 PolarHBondContact O-N 2.95Å; Y146-V150 VanDerWaalsContact O-N 3.12Å; Y146-L174 HydrophobicContact CD1-CD2 4.26Å; Y146-L174 HydrophobicContact CE1-CD2 3.64Å; Y146-G178 WeakPolarHBondContact CE1-O 3.24Å; Y146-I180 HydrophobicContact CD1-CG2 3.48Å; Y146-I180 VanDerWaalsContact CD1-CG2 3.48Å; Y146-I180 HydrophobicContact CE1-CG2 4.13Å; Y146-I180 HydrophobicContact CG-CG2 4.38Å; Y146-M231 HydrophobicContact CD2-SD 4.31Å; Y146-P313 HydrophobicContact CE2-CG 4.02Å; Y146-L314 WeakPolarHBondContact OH-CB 3.32Å
147S98.7Very high98.3Very high2 Ų219.4 Ų19.41%0.01410%0.102CC..Hα-helixtrans-66.6-30.2179.556.90000113.2A143 R144 Q149 V150 I151 I228A143-S147 VanDerWaalsContact O-CB 3.23Å; A143-S147 WeakPolarHBondContact O-CB 3.49Å; A143-S147 PolarHBondContact O-N 3.1Å; A143-S147 PolarHBondContact O-OG 3Å; R144-S147 WeakPolarHBondContact CA-OG 3.42Å; R144-S147 PolarHBondContact O-OG 3.29Å; S147-Q149 VanDerWaalsContact C-N 3.31Å; S147-Q149 PolarHBondContact O-N 2.93Å; S147-V150 PolarHBondContact O-N 3.41Å; S147-I151 WeakPolarHBondContact O-CB 3.48Å; S147-I151 WeakPolarHBondContact O-CD1 3.32Å; S147-I151 WeakPolarHBondContact O-CG1 3.49Å; S147-I151 PolarHBondContact O-N 3.48Å; S147-I228 VanDerWaalsContact CB-CG1 3.48Å
148S98.5Very high98.3Very high0 Ų014.5 Ų14.50%08%0.084CC..Hα-helixtrans-62.6-40.2174.162.60000112.1R144 F145 Y146 I151 L152 L300 W302R144-S148 WeakPolarHBondContact O-CB 3.42Å; R144-S148 PolarHBondContact O-N 3.29Å; R144-S148 PolarHBondContact O-OG 2.81Å; F145-S148 PolarHBondContact O-OG 2.94Å; Y146-S148 VanDerWaalsContact C-N 3.31Å; Y146-S148 PolarHBondContact O-N 3.38Å; S148-I151 PolarHBondContact O-N 2.74Å; S148-L152 WeakPolarHBondContact O-CG 2.93Å; S148-L152 PolarHBondContact O-N 2.9Å; S148-L300 VanDerWaalsContact CB-CD2 3.4Å; S148-W302 WeakPolarHBondContact O-CZ3 3.44Å
149Q98.6Very high98.1Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-66.8-40.8175.2-63.6164.769.500111.6F102 F145 Y146 S147 I151 L152 A153 Y179 I180 I305F102-Q149 HydrophobicContact CD1-CB 4.21Å; F102-Q149 HydrophobicContact CD1-CG 4.16Å; F102-Q149 HydrophobicContact CD2-CB 3.73Å; F102-Q149 HydrophobicContact CD2-CG 4.14Å; F102-Q149 WeakPolarHBondContact CD2-O 3.39Å; F102-Q149 HydrophobicContact CE1-CB 4.44Å; F102-Q149 HydrophobicContact CE1-CG 3.95Å; F102-Q149 HydrophobicContact CE2-CB 3.98Å; F102-Q149 HydrophobicContact CE2-CG 3.93Å; F102-Q149 HydrophobicContact CG-CB 3.88Å; F102-Q149 HydrophobicContact CG-CG 4.29Å; F102-Q149 HydrophobicContact CZ-CB 4.34Å; F102-Q149 HydrophobicContact CZ-CG 3.84Å; F145-Q149 VanDerWaalsContact CZ-NE2 3.32Å; F145-Q149 PolarHBondContact O-NE2 3.09Å; Y146-Q149 PolarHBondContact O-N 2.64Å; S147-Q149 VanDerWaalsContact C-N 3.31Å; S147-Q149 PolarHBondContact O-N 2.93Å; Q149-I151 VanDerWaalsContact C-N 3.35Å; Q149-L152 PolarHBondContact O-N 3.26Å; Q149-A153 WeakPolarHBondContact O-CB 3.5Å; Q149-A153 PolarHBondContact O-N 3.35Å; Q149-Y179 HydrophobicContact CG-CD1 4.35Å; Q149-I180 HydrophobicContact CB-CD1 3.51Å; Q149-I180 HydrophobicContact CB-CG1 3.66Å; Q149-I180 HydrophobicContact CG-CG1 4.49Å; Q149-I305 HydrophobicContact CG-CG2 3.68Å
150V98.8Very high98.1Very high3 Ų314.6 Ų14.62%0.0187%0.073CC..Hα-helixtrans-60-45.8173.5172.90000110.9Y146 S147 L152 A153 L154 L167 I172 I180 I182 L227Y146-V150 PolarHBondContact O-N 2.95Å; Y146-V150 VanDerWaalsContact O-N 3.12Å; S147-V150 PolarHBondContact O-N 3.41Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.11Å; V150-A153 PolarHBondContact O-N 2.93Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 HydrophobicContact CG1-CG 4.27Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.33Å; V150-L167 HydrophobicContact CG1-CD1 3.9Å; V150-L167 HydrophobicContact CG1-CD2 3.67Å; V150-L167 HydrophobicContact CG1-CG 4.45Å; V150-I172 HydrophobicContact CG2-CD1 4.04Å; V150-I180 HydrophobicContact CB-CD1 4.43Å; V150-I180 HydrophobicContact CG2-CD1 3.53Å; V150-I182 HydrophobicContact CG2-CD1 4.45Å; V150-L227 HydrophobicContact CG1-CD2 4.38Å; V150-L227 HydrophobicContact CG2-CD2 3.95Å
151I98.6Very high98Very high2 Ų215.1 Ų15.11%0.018%0.078CC..Hα-helixtrans-61.4-43.8179.2-71.4159.3000110.8S147 S148 Q149 A153 L154 E155 W221 V288 I291 K292 F297 W302S147-I151 WeakPolarHBondContact O-CB 3.48Å; S147-I151 WeakPolarHBondContact O-CD1 3.32Å; S147-I151 WeakPolarHBondContact O-CG1 3.49Å; S147-I151 PolarHBondContact O-N 3.48Å; S148-I151 PolarHBondContact O-N 2.74Å; Q149-I151 VanDerWaalsContact C-N 3.35Å; I151-A153 VanDerWaalsContact C-N 3.35Å; I151-L154 PolarHBondContact O-N 2.88Å; I151-E155 VanDerWaalsContact O-CB 3.28Å; I151-E155 WeakPolarHBondContact O-CB 3.18Å; I151-E155 PolarHBondContact O-N 2.87Å; I151-W221 HydrophobicContact CB-CZ3 4.37Å; I151-W221 HydrophobicContact CG1-CZ3 4.21Å; I151-W221 HydrophobicContact CG2-CH2 4.36Å; I151-W221 HydrophobicContact CG2-CZ3 4.14Å; I151-V288 HydrophobicContact CG2-CG2 3.85Å; I151-I291 HydrophobicContact CD1-CG2 3.64Å; I151-I291 HydrophobicContact CG1-CG2 4.26Å; I151-K292 HydrophobicContact CG2-CD 4.41Å; I151-K292 HydrophobicContact CG2-CG 3.99Å; I151-F297 HydrophobicContact CD1-CE1 4.12Å; I151-F297 HydrophobicContact CD1-CE2 3.63Å; I151-F297 HydrophobicContact CD1-CZ 3.3Å; I151-W302 HydrophobicContact CB-CH2 4.15Å; I151-W302 HydrophobicContact CB-CZ3 4.03Å; I151-W302 HydrophobicContact CD1-CH2 3.93Å; I151-W302 HydrophobicContact CG2-CH2 3.9Å; I151-W302 HydrophobicContact CG2-CZ3 3.84Å
152L97.7Very high98Very high5 Ų511.5 Ų11.53%0.0265%0.052CC..Hα-helixtrans-62.7-40.9176.1-73.4170.8000112F100 F102 S148 Q149 V150 E155 Y156 W302 I305 F306F100-L152 HydrophobicContact CE1-CB 4.08Å; F100-L152 HydrophobicContact CZ-CB 4.01Å; F100-L152 WeakPolarHBondContact CZ-O 2.9Å; F102-L152 HydrophobicContact CD2-CB 4.19Å; F102-L152 HydrophobicContact CE2-CB 4.13Å; F102-L152 HydrophobicContact CE2-CD1 3.76Å; S148-L152 WeakPolarHBondContact O-CG 2.93Å; S148-L152 PolarHBondContact O-N 2.9Å; Q149-L152 PolarHBondContact O-N 3.26Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.11Å; L152-E155 PolarHBondContact O-N 2.96Å; L152-Y156 WeakPolarHBondContact O-CB 3.48Å; L152-Y156 PolarHBondContact O-N 3.49Å; L152-W302 HydrophobicContact CD1-CE3 4.15Å; L152-W302 HydrophobicContact CD2-CE3 3.91Å; L152-W302 HydrophobicContact CD2-CZ3 4.49Å; L152-W302 HydrophobicContact CG-CE3 3.84Å; L152-W302 HydrophobicContact CG-CZ3 4.1Å; L152-I305 HydrophobicContact CD1-CB 4.43Å; L152-I305 HydrophobicContact CD1-CG2 3.83Å; L152-F306 HydrophobicContact CD1-CB 4.17Å
153A98.4Very high97.9Very high0 Ų011.2 Ų11.20%05%0.05CC..Hα-helixtrans-66.8-41.417700000112.5F100 F102 L103 Q149 V150 I151 Y156 L157 I182F100-A153 HydrophobicContact CD1-CB 4.25Å; F100-A153 HydrophobicContact CE1-CB 4.23Å; F102-A153 HydrophobicContact CB-CB 4.32Å; L103-A153 HydrophobicContact CD2-CB 3.83Å; L103-A153 HydrophobicContact CG-CB 4.45Å; Q149-A153 WeakPolarHBondContact O-CB 3.5Å; Q149-A153 PolarHBondContact O-N 3.35Å; V150-A153 PolarHBondContact O-N 2.93Å; I151-A153 VanDerWaalsContact C-N 3.35Å; A153-Y156 PolarHBondContact O-N 3.45Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 3.09Å; A153-I182 HydrophobicContact CB-CD1 3.65Å
154L98.5Very high97.9Very high0 Ų011.2 Ų11.20%05%0.05CC..Hα-helixtrans-67.4-41.2175-69.8-179.9000111.7V150 I151 Y156 L157 H158 L167 D220 W221 A224V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 HydrophobicContact CG1-CG 4.27Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.33Å; I151-L154 PolarHBondContact O-N 2.88Å; L154-Y156 VanDerWaalsContact C-N 3.32Å; L154-Y156 PolarHBondContact O-N 3.39Å; L154-L157 PolarHBondContact O-N 3.3Å; L154-H158 WeakPolarHBondContact O-CB 3.4Å; L154-H158 PolarHBondContact O-CD2 3.43Å; L154-H158 VanDerWaalsContact O-CD2 3.29Å; L154-H158 PolarHBondContact O-N 3.3Å; L154-L167 HydrophobicContact CD1-CD2 4.38Å; L154-D220 HydrophobicContact CD1-CB 4Å; L154-D220 HydrophobicContact CD2-CB 3.86Å; L154-W221 HydrophobicContact CB-CH2 3.66Å; L154-W221 HydrophobicContact CB-CZ2 4.39Å; L154-W221 HydrophobicContact CB-CZ3 3.78Å; L154-W221 HydrophobicContact CD1-CE3 4.01Å; L154-W221 HydrophobicContact CD1-CZ3 3.85Å; L154-W221 HydrophobicContact CG-CZ3 4.49Å; L154-A224 HydrophobicContact CD1-CB 4.13Å
155E97.4Very high97.9Very high18 Ų1810.4 Ų10.48%0.0845%0.047CC..Hα-helixtrans-55.5-48.3173.8-180173.9-145.100110.7L19 I151 L152 H158 Y159 V288 K292L19-E155 HydrophobicContact CD1-CG 4.2Å; I151-E155 VanDerWaalsContact O-CB 3.28Å; I151-E155 WeakPolarHBondContact O-CB 3.18Å; I151-E155 PolarHBondContact O-N 2.87Å; L152-E155 PolarHBondContact O-N 2.96Å; E155-H158 PolarHBondContact O-N 2.86Å; E155-Y159 WeakPolarHBondContact O-CB 3.49Å; E155-Y159 PolarHBondContact O-N 3.13Å; E155-V288 HydrophobicContact CB-CG2 4.26Å; E155-V288 HydrophobicContact CG-CG1 4.01Å; E155-V288 HydrophobicContact CG-CG2 4.44Å; E155-V288 VanDerWaalsContact OE1-CG1 3.24Å; E155-V288 WeakPolarHBondContact OE1-CG1 3.43Å; E155-K292 VanDerWaalsContact CD-NZ 3.3Å; E155-K292 IonicContact OE1-NZ 3.16Å; E155-K292 PolarHBondContact OE1-NZ 2.96Å; E155-K292 IonicContact OE2-NZ 3.04Å; E155-K292 PolarHBondContact OE2-NZ 3.19Å
156Y97.5Very high97.8Very high3 Ų310 Ų101%0.0125%0.045CC..Hα-helixtrans-57.4-55.6174170.1-92.5000112.1L19 A22 V98 D99 F100 L103 L152 A153 L154 H158 Y159 L160L19-Y156 HydrophobicContact CD2-CD2 4.35Å; A22-Y156 HydrophobicContact CB-CD2 4.23Å; A22-Y156 HydrophobicContact CB-CE2 3.72Å; V98-Y156 WeakPolarHBondContact CA-OH 3.4Å; V98-Y156 HydrophobicContact CB-CE1 4.14Å; V98-Y156 HydrophobicContact CG1-CE1 4.25Å; D99-Y156 PolarHBondContact N-OH 2.92Å; D99-Y156 WeakPolarHBondContact O-CE2 3.47Å; D99-Y156 PolarHBondContact O-OH 2.73Å; F100-Y156 HydrophobicContact CB-CD1 3.89Å; F100-Y156 HydrophobicContact CB-CD2 4.21Å; F100-Y156 HydrophobicContact CB-CE1 3.92Å; F100-Y156 HydrophobicContact CB-CE2 4.17Å; F100-Y156 HydrophobicContact CB-CG 4.06Å; F100-Y156 HydrophobicContact CD1-CG 4.47Å; F100-Y156 HydrophobicContact CD2-CD1 4.29Å; F100-Y156 AromaticContact CD2-CD2 3.38Å; F100-Y156 HydrophobicContact CD2-CD2 3.38Å; F100-Y156 AromaticContact CD2-CE2 3.92Å; F100-Y156 HydrophobicContact CD2-CE2 3.92Å; F100-Y156 AromaticContact CD2-CG 3.58Å; F100-Y156 HydrophobicContact CD2-CG 3.58Å; F100-Y156 AromaticContact CE2-CD2 3.98Å; F100-Y156 HydrophobicContact CE2-CD2 3.98Å; F100-Y156 HydrophobicContact CE2-CG 4.12Å; F100-Y156 HydrophobicContact CG-CD1 4.06Å; F100-Y156 AromaticContact CG-CD2 3.99Å; F100-Y156 HydrophobicContact CG-CD2 3.99Å; F100-Y156 HydrophobicContact CG-CE2 4.4Å; F100-Y156 AromaticContact CG-CG 3.79Å; F100-Y156 HydrophobicContact CG-CG 3.79Å; L103-Y156 HydrophobicContact CD1-CD1 3.74Å; L103-Y156 HydrophobicContact CD1-CE1 3.77Å; L152-Y156 WeakPolarHBondContact O-CB 3.48Å; L152-Y156 PolarHBondContact O-N 3.49Å; A153-Y156 PolarHBondContact O-N 3.45Å; L154-Y156 VanDerWaalsContact C-N 3.32Å; L154-Y156 PolarHBondContact O-N 3.39Å; Y156-H158 VanDerWaalsContact C-N 3.31Å; Y156-H158 PolarHBondContact O-N 3.49Å; Y156-Y159 WeakPolarHBondContact O-CB 3.48Å; Y156-Y159 PolarHBondContact O-N 3.47Å; Y156-Y159 VanDerWaalsContact O-N 3.11Å; Y156-L160 HydrophobicContact CD1-CD1 4.1Å; Y156-L160 HydrophobicContact CE1-CD1 3.42Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.42Å; Y156-L160 HydrophobicContact CE1-CG 4.46Å; Y156-L160 HydrophobicContact CE2-CD1 4.15Å; Y156-L160 VanDerWaalsContact CZ-CD1 3.45Å; Y156-L160 WeakPolarHBondContact O-CG 3.23Å; Y156-L160 PolarHBondContact O-N 3.29Å
157L98.1Very high97.8Very high0 Ų010 Ų100%05%0.045CC..Hα-helixtrans-58.9-43.5-179-70.8175.6000111.7V98 L103 A153 L154 Y159 L160 D161 L162 Y164 F185V98-L157 HydrophobicContact CG1-CD2 4.18Å; L103-L157 HydrophobicContact CD1-CD2 3.87Å; L103-L157 HydrophobicContact CD1-CG 4.17Å; L103-L157 HydrophobicContact CD2-CD1 4.47Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 3.09Å; L154-L157 PolarHBondContact O-N 3.3Å; L157-Y159 VanDerWaalsContact C-N 3.3Å; L157-Y159 PolarHBondContact O-N 2.66Å; L157-L160 CarbonylContact O-C 3.49Å; L157-L160 WeakPolarHBondContact O-CA 3.24Å; L157-L160 WeakPolarHBondContact O-CB 3.44Å; L157-L160 PolarHBondContact O-N 3.21Å; L157-L160 VanDerWaalsContact O-N 3.09Å; L157-D161 PolarHBondContact O-N 3.35Å; L157-L162 CarbonylContact C-O 3.53Å; L157-L162 HydrophobicContact CB-CB 4.16Å; L157-L162 HydrophobicContact CD2-CB 4.28Å; L157-L162 HydrophobicContact CD2-CD1 3.78Å; L157-L162 WeakPolarHBondContact O-CA 3.45Å; L157-L162 WeakPolarHBondContact O-CB 3.45Å; L157-L162 PolarHBondContact O-N 3.21Å; L157-Y164 HydrophobicContact CD1-CD2 4.09Å; L157-Y164 HydrophobicContact CD1-CG 4.49Å; L157-F185 HydrophobicContact CD2-CE1 4.19Å
158H97Very high97.8Very high17 Ų1711.5 Ų11.58%0.0795%0.052CC..Hα-helixtrans-64.5-35.6178.8-73.4-170.8000111.7L154 E155 Y156 L160 D161 L162 K217 D220 W221L154-H158 WeakPolarHBondContact O-CB 3.4Å; L154-H158 PolarHBondContact O-CD2 3.43Å; L154-H158 VanDerWaalsContact O-CD2 3.29Å; L154-H158 PolarHBondContact O-N 3.3Å; E155-H158 PolarHBondContact O-N 2.86Å; Y156-H158 VanDerWaalsContact C-N 3.31Å; Y156-H158 PolarHBondContact O-N 3.49Å; H158-L160 PolarHBondContact O-N 3.17Å; H158-D161 PolarHBondContact O-N 2.87Å; H158-D161 VanDerWaalsContact O-N 3.09Å; H158-L162 PolarHBondContact CD2-O 2.93Å; H158-L162 VanDerWaalsContact CD2-O 3.29Å; H158-K217 HydrophobicContact CB-CD 3.88Å; H158-K217 HydrophobicContact CB-CG 4.32Å; H158-K217 PolarHBondContact CE1-O 3.19Å; H158-K217 WeakPolarHBondContact O-CE 3.06Å; H158-K217 PolarHBondContact O-NZ 2.84Å; H158-D220 IonicContact CD2-OD2 3.06Å; H158-D220 IonicContact CE1-OD2 3.82Å; H158-D220 IonicContact NE2-OD2 3.35Å; H158-D220 PolarHBondContact NE2-OD2 3.4Å; H158-W221 AromaticContact CE1-CE2 3.61Å; H158-W221 AromaticContact CE1-CZ2 3.78Å; H158-W221 AromaticContact CE1-NE1 3.58Å; H158-W221 AromaticContact ND1-CE2 3.56Å; H158-W221 AromaticContact ND1-CZ2 3.43Å; H158-W221 WeakPolarHBondContact ND1-CZ2 3.41Å; H158-W221 AromaticContact ND1-NE1 3.5Å; H158-W221 PolarHBondContact ND1-NE1 2.78Å
159Y95.7Very high97.8Very high78 Ų7811.5 Ų11.531%0.3065%0.052SC..Hα-helixtrans-64.1-30.8174.8-161.7-96.7000112.4L19 E20 K23 E155 Y156 L157 D161L19-Y159 VanDerWaalsContact C-CE1 3.47Å; L19-Y159 HydrophobicContact CB-CD1 3.85Å; L19-Y159 HydrophobicContact CB-CD2 4.27Å; L19-Y159 HydrophobicContact CB-CE1 3.84Å; L19-Y159 HydrophobicContact CB-CE2 4.24Å; L19-Y159 HydrophobicContact CB-CG 4.07Å; L19-Y159 HydrophobicContact CD1-CD2 4.15Å; L19-Y159 HydrophobicContact CD1-CG 4.37Å; L19-Y159 HydrophobicContact CD2-CG 4.43Å; L19-Y159 WeakPolarHBondContact O-CD1 3.38Å; L19-Y159 VanDerWaalsContact O-CE1 3.23Å; L19-Y159 WeakPolarHBondContact O-CE1 3.43Å; E20-Y159 PolarHBondContact OE2-OH 3.24Å; K23-Y159 HydrophobicContact CB-CD1 3.93Å; K23-Y159 HydrophobicContact CB-CE1 3.79Å; K23-Y159 HydrophobicContact CD-CD1 3.88Å; K23-Y159 HydrophobicContact CD-CE1 3.69Å; K23-Y159 HydrophobicContact CG-CD1 4.44Å; K23-Y159 HydrophobicContact CG-CE1 4.38Å; K23-Y159 PolarHBondContact NZ-O 3.39Å; E155-Y159 WeakPolarHBondContact O-CB 3.49Å; E155-Y159 PolarHBondContact O-N 3.13Å; Y156-Y159 WeakPolarHBondContact O-CB 3.48Å; Y156-Y159 PolarHBondContact O-N 3.47Å; Y156-Y159 VanDerWaalsContact O-N 3.11Å; L157-Y159 VanDerWaalsContact C-N 3.3Å; L157-Y159 PolarHBondContact O-N 2.66Å; Y159-D161 VanDerWaalsContact C-N 3.28Å; Y159-D161 PolarHBondContact O-N 2.86Å
160L96.4Very high97.7Very high5 Ų514.5 Ų14.53%0.0267%0.065CC..THydrogen-bonded Turntrans-83.77.6173.7-56-178.9000114.4K23 Y26 V98 Y156 L157 H158 L162K23-L160 VanDerWaalsContact CA-CD2 3.47Å; K23-L160 HydrophobicContact CB-CD2 3.84Å; K23-L160 HydrophobicContact CG-CD2 3.96Å; Y26-L160 HydrophobicContact CD1-CB 4.21Å; Y26-L160 HydrophobicContact CD1-CD1 4.18Å; Y26-L160 HydrophobicContact CD1-CD2 3.86Å; Y26-L160 HydrophobicContact CD1-CG 4.3Å; Y26-L160 HydrophobicContact CD2-CD1 3.54Å; Y26-L160 HydrophobicContact CD2-CG 4.5Å; Y26-L160 HydrophobicContact CE1-CB 4.23Å; Y26-L160 HydrophobicContact CE2-CD1 3.99Å; Y26-L160 HydrophobicContact CG-CB 4.5Å; Y26-L160 HydrophobicContact CG-CD1 3.64Å; Y26-L160 HydrophobicContact CG-CD2 3.76Å; Y26-L160 HydrophobicContact CG-CG 4.16Å; V98-L160 HydrophobicContact CG1-CD1 4.34Å; Y156-L160 HydrophobicContact CD1-CD1 4.1Å; Y156-L160 HydrophobicContact CE1-CD1 3.42Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.42Å; Y156-L160 HydrophobicContact CE1-CG 4.46Å; Y156-L160 HydrophobicContact CE2-CD1 4.15Å; Y156-L160 VanDerWaalsContact CZ-CD1 3.45Å; Y156-L160 WeakPolarHBondContact O-CG 3.23Å; Y156-L160 PolarHBondContact O-N 3.29Å; L157-L160 CarbonylContact O-C 3.49Å; L157-L160 WeakPolarHBondContact O-CA 3.24Å; L157-L160 WeakPolarHBondContact O-CB 3.44Å; L157-L160 PolarHBondContact O-N 3.21Å; L157-L160 VanDerWaalsContact O-N 3.09Å; H158-L160 PolarHBondContact O-N 3.17Å; L160-L162 HydrophobicContact CB-CD1 4.15Å; L160-L162 HydrophobicContact CB-CG 4.18Å; L160-L162 HydrophobicContact CD1-CD1 4.26Å; L160-L162 PolarHBondContact O-N 3.15Å
161D96.4Very high97.6Very high47 Ų4715 Ų1525%0.2517%0.068SC..THydrogen-bonded Turntrans62.321.7-174.1-59.5-54.3000114.6K23 L157 H158 Y159 H190 V191 K217K23-D161 IonicContact NZ-OD2 2.68Å; K23-D161 PolarHBondContact NZ-OD2 3.08Å; L157-D161 PolarHBondContact O-N 3.35Å; H158-D161 PolarHBondContact O-N 2.87Å; H158-D161 VanDerWaalsContact O-N 3.09Å; Y159-D161 VanDerWaalsContact C-N 3.28Å; Y159-D161 PolarHBondContact O-N 2.86Å; D161-H190 CarbonylContact O-C 3.59Å; D161-H190 VanDerWaalsContact O-CA 3.28Å; D161-H190 WeakPolarHBondContact O-CA 3.32Å; D161-V191 PolarHBondContact O-N 2.83Å; D161-K217 IonicContact OD1-NZ 3.41Å; D161-K217 PolarHBondContact OD1-NZ 2.77Å
162L98.1Very high97.6Very high0 Ų014.9 Ų14.90%07%0.068CC..EExtended strand (participates in β ladder)trans-93146.3172.7-62.9171.9000110.9Y26 I94 V98 L157 H158 L160 V188 K189Y26-L162 HydrophobicContact CE2-CD1 4.06Å; I94-L162 HydrophobicContact CD1-CD2 3.86Å; I94-L162 HydrophobicContact CG1-CD2 4.15Å; I94-L162 HydrophobicContact CG2-CD1 3.85Å; I94-L162 HydrophobicContact CG2-CD2 4.38Å; V98-L162 HydrophobicContact CG1-CD1 3.87Å; L157-L162 CarbonylContact C-O 3.53Å; L157-L162 HydrophobicContact CB-CB 4.16Å; L157-L162 HydrophobicContact CD2-CB 4.28Å; L157-L162 HydrophobicContact CD2-CD1 3.78Å; L157-L162 WeakPolarHBondContact O-CA 3.45Å; L157-L162 WeakPolarHBondContact O-CB 3.45Å; L157-L162 PolarHBondContact O-N 3.21Å; H158-L162 PolarHBondContact CD2-O 2.93Å; H158-L162 VanDerWaalsContact CD2-O 3.29Å; L160-L162 HydrophobicContact CB-CD1 4.15Å; L160-L162 HydrophobicContact CB-CG 4.18Å; L160-L162 HydrophobicContact CD1-CD1 4.26Å; L160-L162 PolarHBondContact O-N 3.15Å; L162-V188 HydrophobicContact CB-CG1 4.11Å; L162-V188 HydrophobicContact CD1-CG1 4.41Å; L162-V188 HydrophobicContact CD2-CG1 4.24Å; L162-K189 WeakPolarHBondContact CA-O 3.47Å
163I98Very high97.6Very high0 Ų015.8 Ų15.80%07%0.072CC..EExtended strand (participates in β ladder)trans-120.7140167.759.4174.3000109.5R165 V188 K189 V191 T195 Y215 K217 D220I163-R165 HydrophobicContact CB-CG 4.18Å; I163-R165 VanDerWaalsContact CD1-CD 3.44Å; I163-R165 HydrophobicContact CD1-CG 3.72Å; I163-R165 HydrophobicContact CG1-CG 3.8Å; I163-V188 VanDerWaalsContact O-CA 3.29Å; I163-V188 WeakPolarHBondContact O-CA 3.27Å; I163-K189 HydrophobicContact CG1-CG 4.17Å; I163-K189 PolarHBondContact N-O 3.45Å; I163-K189 PolarHBondContact O-N 3.43Å; I163-V191 HydrophobicContact CD1-CB 4.14Å; I163-V191 HydrophobicContact CD1-CG2 3.38Å; I163-V191 HydrophobicContact CG1-CB 4.41Å; I163-V191 HydrophobicContact CG1-CG2 3.77Å; I163-V191 HydrophobicContact CG2-CB 4.4Å; I163-T195 HydrophobicContact CD1-CG2 3.75Å; I163-Y215 HydrophobicContact CD1-CE2 3.93Å; I163-K217 HydrophobicContact CG2-CB 4.08Å; I163-K217 HydrophobicContact CG2-CG 3.48Å; I163-K217 VanDerWaalsContact CG2-CG 3.48Å; I163-D220 WeakPolarHBondContact CA-OD2 3.38Å
164Y98.4Very high97.6Very high1 Ų115.8 Ų15.80%0.0047%0.072CC..  trans-86.6-49.6-170.9-176.5-100.3000113.1L157 D166 L167 N171 I182 A183 D184 F185 F187 V188 D220L157-Y164 HydrophobicContact CD1-CD2 4.09Å; L157-Y164 HydrophobicContact CD1-CG 4.49Å; Y164-D166 VanDerWaalsContact C-N 3.29Å; Y164-D166 WeakPolarHBondContact CE1-O 3.34Å; Y164-D166 PolarHBondContact O-N 2.97Å; Y164-L167 HydrophobicContact CD1-CB 3.93Å; Y164-L167 HydrophobicContact CE1-CB 4.06Å; Y164-L167 HydrophobicContact CE1-CD1 4.45Å; Y164-L167 VanDerWaalsContact CE1-N 3.32Å; Y164-N171 WeakPolarHBondContact OH-CB 3.48Å; Y164-I182 HydrophobicContact CD2-CG2 4.23Å; Y164-I182 HydrophobicContact CE1-CG2 4.1Å; Y164-I182 HydrophobicContact CE2-CG2 3.44Å; Y164-I182 VanDerWaalsContact CE2-CG2 3.44Å; Y164-I182 WeakPolarHBondContact OH-CG2 3.45Å; Y164-A183 PolarHBondContact OH-O 3.45Å; Y164-D184 PolarHBondContact OH-O 2.94Å; Y164-F185 HydrophobicContact CE2-CD2 4.23Å; Y164-F185 HydrophobicContact CE2-CE2 4.13Å; Y164-F187 CarbonylContact O-C 3.55Å; Y164-V188 HydrophobicContact CD2-CG2 3.51Å; Y164-V188 HydrophobicContact CE2-CG2 3.93Å; Y164-V188 HydrophobicContact CG-CG2 4.36Å; Y164-D220 PolarHBondContact N-OD1 3.07Å; Y164-D220 PolarHBondContact N-OD2 2.85Å
165R97.8Very high97.5Very high23 Ų2316.4 Ų16.49%0.0878%0.075CC..  trans67.6-3.6170.3-55-171.6-71.8165.88.9119.1I163 F187 C199 Y215 V219 D220I163-R165 HydrophobicContact CB-CG 4.18Å; I163-R165 VanDerWaalsContact CD1-CD 3.44Å; I163-R165 HydrophobicContact CD1-CG 3.72Å; I163-R165 HydrophobicContact CG1-CG 3.8Å; R165-F187 HydrophobicContact CB-CB 4.22Å; R165-F187 PolarHBondContact NE-O 3.08Å; R165-F187 PolarHBondContact NH2-O 2.87Å; R165-C199 PolarHBondContact NH1-SG 3.31Å; R165-Y215 WeakPolarHBondContact CD-OH 3.37Å; R165-Y215 PolarHBondContact NH1-OH 3.13Å; R165-V219 HydrophobicContact CG-CG2 4.45Å; R165-D220 PolarHBondContact N-OD1 2.84Å
166D97.1Very high97.5Very high5 Ų518.7 Ų18.73%0.0279%0.092CC..  trans-13742.4176.1-161.539.6000112.5Y164 K168 N171 F187 G200 T201Y164-D166 VanDerWaalsContact C-N 3.29Å; Y164-D166 WeakPolarHBondContact CE1-O 3.34Å; Y164-D166 PolarHBondContact O-N 2.97Å; D166-K168 PolarHBondContact O-N 3.4Å; D166-K168 IonicContact OD1-NZ 2.66Å; D166-K168 VanDerWaalsContact OD2-CE 3.32Å; D166-K168 WeakPolarHBondContact OD2-CE 3.43Å; D166-K168 IonicContact OD2-NZ 3.32Å; D166-K168 PolarHBondContact OD2-NZ 3.28Å; D166-N171 PolarHBondContact O-ND2 3.24Å; D166-N171 PolarHBondContact OD2-ND2 3.12Å; D166-F187 HydrophobicContact CB-CB 4.12Å; D166-F187 HydrophobicContact CB-CD2 3.47Å; D166-F187 VanDerWaalsContact CB-CD2 3.47Å; D166-F187 HydrophobicContact CB-CE2 4.19Å; D166-F187 HydrophobicContact CB-CG 4.04Å; D166-G200 WeakPolarHBondContact OD1-CA 3.3Å; D166-T201 PolarHBondContact OD1-N 2.96Å; D166-T201 VanDerWaalsContact OD1-N 3.12Å; D166-T201 PolarHBondContact OD1-OG1 2.97Å
167L98.4Very high97.4Very high0 Ų022.7 Ų22.70%012%0.117CC..  trans-71122.3178.4-177.870.9000109.9V150 L154 Y164 I172 I182 Y204 A223 A224 L227V150-L167 HydrophobicContact CG1-CD1 3.9Å; V150-L167 HydrophobicContact CG1-CD2 3.67Å; V150-L167 HydrophobicContact CG1-CG 4.45Å; L154-L167 HydrophobicContact CD1-CD2 4.38Å; Y164-L167 HydrophobicContact CD1-CB 3.93Å; Y164-L167 HydrophobicContact CE1-CB 4.06Å; Y164-L167 HydrophobicContact CE1-CD1 4.45Å; Y164-L167 VanDerWaalsContact CE1-N 3.32Å; L167-I172 HydrophobicContact CD1-CD1 3.97Å; L167-I172 HydrophobicContact CD1-CG1 4.36Å; L167-I182 HydrophobicContact CD1-CD1 4.46Å; L167-Y204 WeakPolarHBondContact O-CD1 3.42Å; L167-Y204 WeakPolarHBondContact O-CE1 3.44Å; L167-Y204 VanDerWaalsContact O-CG 3.23Å; L167-A223 HydrophobicContact CB-CB 4.03Å; L167-A223 HydrophobicContact CD2-CB 4.32Å; L167-A224 HydrophobicContact CD2-CB 4.05Å; L167-L227 HydrophobicContact CD1-CD2 4.17Å; L167-L227 HydrophobicContact CD2-CB 4.44Å; L167-L227 HydrophobicContact CD2-CD2 3.99Å; L167-L227 HydrophobicContact CG-CD2 4.07Å
168K98Very high97.4Very high35 Ų3522.7 Ų22.715%0.15212%0.117CC..SBendtrans-164.7161.8177.560.2-178.1163.8-169.70110.6D166 E170 N171 I172 T201 Y204D166-K168 PolarHBondContact O-N 3.4Å; D166-K168 IonicContact OD1-NZ 2.66Å; D166-K168 VanDerWaalsContact OD2-CE 3.32Å; D166-K168 WeakPolarHBondContact OD2-CE 3.43Å; D166-K168 IonicContact OD2-NZ 3.32Å; D166-K168 PolarHBondContact OD2-NZ 3.28Å; K168-E170 WeakPolarHBondContact CB-OE2 3.35Å; K168-E170 HydrophobicContact CD-CB 4.23Å; K168-E170 WeakPolarHBondContact CD-OE2 3.15Å; K168-E170 HydrophobicContact CG-CB 4.24Å; K168-E170 VanDerWaalsContact CG-OE2 3.31Å; K168-E170 WeakPolarHBondContact CG-OE2 3.5Å; K168-E170 PolarHBondContact O-N 3.49Å; K168-N171 VanDerWaalsContact CE-ND2 3.27Å; K168-N171 WeakPolarHBondContact CE-ND2 3.44Å; K168-N171 HydrophobicContact CG-CB 4.15Å; K168-N171 PolarHBondContact O-N 3.13Å; K168-N171 VanDerWaalsContact O-N 3.08Å; K168-I172 WeakPolarHBondContact O-CG1 3.25Å; K168-T201 HydrophobicContact CD-CG2 4.12Å; K168-T201 VanDerWaalsContact CD-OG1 3.3Å; K168-T201 WeakPolarHBondContact CD-OG1 3.39Å; K168-T201 WeakPolarHBondContact CE-OG1 3.21Å; K168-T201 PolarHBondContact NZ-OG1 3.4Å; K168-Y204 HydrophobicContact CB-CD2 4.08Å; K168-Y204 HydrophobicContact CB-CE1 4.33Å; K168-Y204 HydrophobicContact CB-CE2 3.85Å; K168-Y204 HydrophobicContact CB-CG 4.47Å
169P98.3Very high97.4Very high0 Ų022.2 Ų22.20%011%0.114CC..G310 helixtrans-56.9-28.6-178.8-27.334.2000114.9M128 F129 L132 N171 I172 Y204 L227M128-P169 HydrophobicContact CB-CB 4.48Å; M128-P169 WeakPolarHBondContact CB-O 3.35Å; M128-P169 HydrophobicContact CG-CB 4.42Å; M128-P169 PolarHBondContact N-O 2.67Å; F129-P169 HydrophobicContact CB-CB 3.84Å; F129-P169 HydrophobicContact CD2-CB 4.22Å; F129-P169 PolarHBondContact N-O 3.25Å; F129-P169 VanDerWaalsContact N-O 3.13Å; L132-P169 HydrophobicContact CD2-CG 4.33Å; P169-N171 VanDerWaalsContact C-N 3.33Å; P169-I172 PolarHBondContact O-N 3Å; P169-Y204 WeakPolarHBondContact CD-OH 3.4Å; P169-L227 HydrophobicContact CG-CD1 3.76Å
170E96.4Very high97.6Very high62 Ų6218.5 Ų18.529%0.2910%0.099SC..G310 helixtrans-69.5-32.9178.8-6287157.700111.6F129 K168 I172F129-E170 HydrophobicContact CB-CG 3.92Å; F129-E170 HydrophobicContact CD1-CG 4.4Å; F129-E170 HydrophobicContact CD2-CG 3.97Å; F129-E170 WeakPolarHBondContact CD2-OE1 3.47Å; F129-E170 WeakPolarHBondContact CE2-OE1 3.32Å; F129-E170 HydrophobicContact CG-CG 3.85Å; K168-E170 WeakPolarHBondContact CB-OE2 3.35Å; K168-E170 HydrophobicContact CD-CB 4.23Å; K168-E170 WeakPolarHBondContact CD-OE2 3.15Å; K168-E170 HydrophobicContact CG-CB 4.24Å; K168-E170 VanDerWaalsContact CG-OE2 3.31Å; K168-E170 WeakPolarHBondContact CG-OE2 3.5Å; K168-E170 PolarHBondContact O-N 3.49Å; E170-I172 VanDerWaalsContact C-N 3.29Å; E170-I172 PolarHBondContact O-N 3.39Å
171N97.4Very high97.7Very high14 Ų1418.8 Ų18.88%0.07510%0.1CC..G310 helixtrans-89.15.8179.2-71.3-8.8000112.8Y164 D166 K168 P169 A183Y164-N171 WeakPolarHBondContact OH-CB 3.48Å; D166-N171 PolarHBondContact O-ND2 3.24Å; D166-N171 PolarHBondContact OD2-ND2 3.12Å; K168-N171 VanDerWaalsContact CE-ND2 3.27Å; K168-N171 WeakPolarHBondContact CE-ND2 3.44Å; K168-N171 HydrophobicContact CG-CB 4.15Å; K168-N171 PolarHBondContact O-N 3.13Å; K168-N171 VanDerWaalsContact O-N 3.08Å; P169-N171 VanDerWaalsContact C-N 3.33Å; N171-A183 PolarHBondContact O-N 3.35Å
172I98.6Very high97.8Very high0 Ų016.5 Ų16.50%09%0.088CC..EExtended strand (participates in β ladder)trans-114.4113.3177.6-58.5171.5000108.8M128 V150 L167 K168 P169 E170 I180 L227M128-I172 HydrophobicContact CB-CB 4.1Å; M128-I172 HydrophobicContact CB-CG2 4.22Å; M128-I172 WeakPolarHBondContact CB-O 3.28Å; M128-I172 HydrophobicContact CE-CB 4.37Å; M128-I172 HydrophobicContact CE-CG2 3.59Å; M128-I172 PolarHBondContact N-O 3.26Å; M128-I172 HydrophobicContact SD-CB 4.43Å; M128-I172 HydrophobicContact SD-CD1 4.21Å; M128-I172 HydrophobicContact SD-CG2 4.26Å; V150-I172 HydrophobicContact CG2-CD1 4.04Å; L167-I172 HydrophobicContact CD1-CD1 3.97Å; L167-I172 HydrophobicContact CD1-CG1 4.36Å; K168-I172 WeakPolarHBondContact O-CG1 3.25Å; P169-I172 PolarHBondContact O-N 3Å; E170-I172 VanDerWaalsContact C-N 3.29Å; E170-I172 PolarHBondContact O-N 3.39Å; I172-I180 HydrophobicContact CG2-CB 3.73Å; I172-I180 HydrophobicContact CG2-CD1 4.31Å; I172-I180 HydrophobicContact CG2-CG2 3.87Å; I172-L227 HydrophobicContact CD1-CD1 4.11Å; I172-L227 HydrophobicContact CD1-CD2 3.51Å; I172-L227 HydrophobicContact CD1-CG 4.47Å
173L98.3Very high97.7Very high24 Ų2417.2 Ų17.213%0.1269%0.094CC..EExtended strand (participates in β ladder)trans-95.6151.8176.3-54.8178.6000110.7V123 G126 E127 I180 K181 A183V123-L173 HydrophobicContact CB-CB 4.02Å; V123-L173 HydrophobicContact CB-CD1 3.9Å; V123-L173 HydrophobicContact CG1-CB 3.65Å; V123-L173 HydrophobicContact CG1-CD1 4.47Å; V123-L173 HydrophobicContact CG2-CD1 4.25Å; G126-L173 CarbonylContact O-C 3.59Å; G126-L173 VanDerWaalsContact O-CA 3.29Å; G126-L173 WeakPolarHBondContact O-CA 3.11Å; E127-L173 HydrophobicContact CB-CD2 4.36Å; E127-L173 HydrophobicContact CG-CD2 3.69Å; L173-I180 CarbonylContact O-C 3.51Å; L173-I180 VanDerWaalsContact O-CA 3.26Å; L173-I180 WeakPolarHBondContact O-CA 3.42Å; L173-K181 HydrophobicContact CB-CB 4.37Å; L173-K181 PolarHBondContact N-O 3.22Å; L173-K181 PolarHBondContact O-N 2.87Å; L173-A183 HydrophobicContact CD1-CB 4.08Å; L173-A183 HydrophobicContact CG-CB 4.26Å
174L98.1Very high97.5Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-102127171-60.3-172.4000110.6V123 G125 G126 M128 Y131 Y146 Y179 I180 L314 P316V123-L174 VanDerWaalsContact CG1-C 3.46Å; V123-L174 WeakPolarHBondContact CG1-O 3.41Å; G125-L174 CarbonylContact C-O 3.58Å; G125-L174 WeakPolarHBondContact CA-O 3.35Å; G125-L174 PolarHBondContact N-O 3.06Å; G125-L174 VanDerWaalsContact N-O 3.1Å; G126-L174 PolarHBondContact O-N 3.49Å; M128-L174 HydrophobicContact CE-CD2 4.23Å; Y131-L174 HydrophobicContact CD2-CD1 3.71Å; Y131-L174 HydrophobicContact CD2-CG 4.39Å; Y131-L174 HydrophobicContact CE2-CD1 3.82Å; Y131-L174 HydrophobicContact CE2-CG 4.36Å; Y131-L174 HydrophobicContact CG-CD1 4.24Å; Y146-L174 HydrophobicContact CD1-CD2 4.26Å; Y146-L174 HydrophobicContact CE1-CD2 3.64Å; L174-Y179 CarbonylContact C-O 3.48Å; L174-Y179 WeakPolarHBondContact CA-O 3.37Å; L174-I180 HydrophobicContact CD2-CG2 4.01Å; L174-L314 HydrophobicContact CD1-CD2 3.69Å; L174-P316 HydrophobicContact CB-CG 3.73Å; L174-P316 HydrophobicContact CD1-CG 4.35Å
175D96.8Very high97.4Very high12 Ų1220 Ų206%0.06411%0.109CC..PPolyproline II helixtrans-73167.6172.179.314.2000111.4V123 V177 G178 Y179 K308 P316V123-D175 HydrophobicContact CG1-CB 4.18Å; D175-V177 PolarHBondContact O-N 3.39Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.45Å; D175-V177 PolarHBondContact OD1-N 3.46Å; D175-G178 PolarHBondContact O-N 3Å; D175-G178 PolarHBondContact OD1-N 3.34Å; D175-Y179 PolarHBondContact N-O 3.4Å; D175-Y179 PolarHBondContact OD1-N 2.64Å; D175-Y179 WeakPolarHBondContact OD2-CB 3.37Å; D175-K308 IonicContact OD2-NZ 3.49Å; D175-K308 PolarHBondContact OD2-NZ 3.49Å; D175-P316 WeakPolarHBondContact O-CD 3.47Å; D175-P316 WeakPolarHBondContact O-CG 3.45Å
176P95.9Very high97.2Very high67 Ų6719 Ų1944%0.43511%0.107SC..THydrogen-bonded Turntrans-59.4-19.1-176.6-2635.1000115.1I315P176-I315 WeakPolarHBondContact O-CG2 3.42Å
177V95.9Very high97.1Very high87 Ų8721.7 Ų21.753%0.52712%0.118SC..THydrogen-bonded Turntrans-99.92.8177.6-62.30000112.4D175 Y179 A312D175-V177 PolarHBondContact O-N 3.39Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.45Å; D175-V177 PolarHBondContact OD1-N 3.46Å; V177-Y179 HydrophobicContact CG2-CD2 4.07Å; V177-A312 VanDerWaalsContact O-CB 3.23Å; V177-A312 WeakPolarHBondContact O-CB 3.39Å
178G97.7Very high97Very high0 Ų021.7 Ų21.70%012%0.118CC..SBendtrans89.68.4173.200000115.4Y146 D175 L314Y146-G178 WeakPolarHBondContact CE1-O 3.24Å; D175-G178 PolarHBondContact O-N 3Å; D175-G178 PolarHBondContact OD1-N 3.34Å; G178-L314 VanDerWaalsContact CA-O 3.29Å; G178-L314 WeakPolarHBondContact CA-O 3.3Å
179Y98.6Very high96.9Very high6 Ų622.3 Ų22.32%0.02412%0.121CC..  trans-83.3160.7171-82.4-100.4000111F102 F145 Q149 L174 D175 V177 K308 V310F102-Y179 HydrophobicContact CD1-CD1 4.43Å; F102-Y179 AromaticContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CD1 3.65Å; F102-Y179 HydrophobicContact CE1-CE1 4.24Å; F102-Y179 HydrophobicContact CZ-CD1 4.38Å; F145-Y179 AromaticContact CE2-CE1 3.99Å; F145-Y179 HydrophobicContact CE2-CE1 3.99Å; F145-Y179 HydrophobicContact CE2-CE2 4.35Å; F145-Y179 AromaticContact CE2-CZ 3.83Å; F145-Y179 AromaticContact CZ-CD1 3.99Å; F145-Y179 HydrophobicContact CZ-CD1 3.99Å; F145-Y179 HydrophobicContact CZ-CD2 4.09Å; F145-Y179 AromaticContact CZ-CE1 3.79Å; F145-Y179 HydrophobicContact CZ-CE1 3.79Å; F145-Y179 AromaticContact CZ-CE2 3.89Å; F145-Y179 HydrophobicContact CZ-CE2 3.89Å; F145-Y179 HydrophobicContact CZ-CG 4.14Å; F145-Y179 AromaticContact CZ-CZ 3.72Å; Q149-Y179 HydrophobicContact CG-CD1 4.35Å; L174-Y179 CarbonylContact C-O 3.48Å; L174-Y179 WeakPolarHBondContact CA-O 3.37Å; D175-Y179 PolarHBondContact N-O 3.4Å; D175-Y179 PolarHBondContact OD1-N 2.64Å; D175-Y179 WeakPolarHBondContact OD2-CB 3.37Å; V177-Y179 HydrophobicContact CG2-CD2 4.07Å; Y179-K308 HydrophobicContact CD1-CB 4.3Å; Y179-K308 HydrophobicContact CD1-CD 4.09Å; Y179-K308 HydrophobicContact CD1-CG 3.74Å; Y179-K308 HydrophobicContact CD2-CB 4.38Å; Y179-K308 HydrophobicContact CD2-CD 4.28Å; Y179-K308 HydrophobicContact CD2-CG 4.41Å; Y179-K308 HydrophobicContact CE1-CB 3.87Å; Y179-K308 HydrophobicContact CE1-CD 4.5Å; Y179-K308 HydrophobicContact CE1-CG 3.72Å; Y179-K308 HydrophobicContact CE2-CB 3.96Å; Y179-K308 HydrophobicContact CE2-CG 4.4Å; Y179-K308 HydrophobicContact CG-CD 3.97Å; Y179-K308 HydrophobicContact CG-CG 4.09Å; Y179-K308 VanDerWaalsContact CZ-CA 3.4Å; Y179-K308 VanDerWaalsContact OH-CA 3.25Å; Y179-K308 WeakPolarHBondContact OH-CA 3.21Å; Y179-K308 PolarHBondContact OH-O 2.58Å; Y179-V310 WeakPolarHBondContact CE2-O 3.38Å; Y179-V310 WeakPolarHBondContact OH-CA 3.46Å; Y179-V310 PolarHBondContact OH-N 2.56Å; Y179-V310 PolarHBondContact OH-O 3.34Å
180I98.7Very high96.8Very high0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-87155.3-176.879.6175.3000112.7F102 M128 Y146 Q149 V150 I172 L173 L174 I182F102-I180 HydrophobicContact CB-CD1 4.48Å; F102-I180 HydrophobicContact CB-CG1 3.95Å; F102-I180 HydrophobicContact CG-CG1 4.35Å; M128-I180 HydrophobicContact CE-CG2 4.03Å; Y146-I180 HydrophobicContact CD1-CG2 3.48Å; Y146-I180 VanDerWaalsContact CD1-CG2 3.48Å; Y146-I180 HydrophobicContact CE1-CG2 4.13Å; Y146-I180 HydrophobicContact CG-CG2 4.38Å; Q149-I180 HydrophobicContact CB-CD1 3.51Å; Q149-I180 HydrophobicContact CB-CG1 3.66Å; Q149-I180 HydrophobicContact CG-CG1 4.49Å; V150-I180 HydrophobicContact CB-CD1 4.43Å; V150-I180 HydrophobicContact CG2-CD1 3.53Å; I172-I180 HydrophobicContact CG2-CB 3.73Å; I172-I180 HydrophobicContact CG2-CD1 4.31Å; I172-I180 HydrophobicContact CG2-CG2 3.87Å; L173-I180 CarbonylContact O-C 3.51Å; L173-I180 VanDerWaalsContact O-CA 3.26Å; L173-I180 WeakPolarHBondContact O-CA 3.42Å; L174-I180 HydrophobicContact CD2-CG2 4.01Å; I180-I182 HydrophobicContact CD1-CD1 4.46Å; I180-I182 HydrophobicContact CD1-CG1 4.08Å
181K98.7Very high96.7Very high11 Ų1122.8 Ų22.85%0.04812%0.124CC..EExtended strand (participates in β ladder)trans-131.4112161.2-70-68.8-165.41670108.3P101 F102 L103 I104 E121 V123 L173 A183P101-K181 VanDerWaalsContact O-CE 3.32Å; P101-K181 WeakPolarHBondContact O-CE 3.4Å; P101-K181 PolarHBondContact O-NZ 3.36Å; F102-K181 CarbonylContact O-C 3.57Å; F102-K181 WeakPolarHBondContact O-CA 3.35Å; L103-K181 WeakPolarHBondContact O-CD 3.24Å; L103-K181 PolarHBondContact O-NZ 2.83Å; I104-K181 HydrophobicContact CD1-CB 4.41Å; E121-K181 VanDerWaalsContact OE1-CE 3.22Å; E121-K181 WeakPolarHBondContact OE1-CE 3.43Å; E121-K181 IonicContact OE1-NZ 3.81Å; E121-K181 PolarHBondContact OE1-NZ 3.28Å; E121-K181 WeakPolarHBondContact OE2-CE 3.23Å; E121-K181 IonicContact OE2-NZ 2.8Å; E121-K181 PolarHBondContact OE2-NZ 3.37Å; V123-K181 HydrophobicContact CG1-CB 4.34Å; V123-K181 HydrophobicContact CG1-CG 4.23Å; V123-K181 HydrophobicContact CG2-CB 3.93Å; V123-K181 HydrophobicContact CG2-CG 3.78Å; L173-K181 HydrophobicContact CB-CB 4.37Å; L173-K181 PolarHBondContact N-O 3.22Å; L173-K181 PolarHBondContact O-N 2.87Å; K181-A183 PolarHBondContact O-N 3.45Å
182I98.7Very high96.2Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-73122.5170.5-57.7-178.6000107.7F102 L103 I104 V150 A153 Y164 L167 I180F102-I182 PolarHBondContact O-N 2.96Å; L103-I182 HydrophobicContact CD2-CB 3.83Å; L103-I182 HydrophobicContact CD2-CD1 4.28Å; L103-I182 HydrophobicContact CD2-CG1 4.41Å; L103-I182 HydrophobicContact CD2-CG2 4.42Å; I104-I182 WeakPolarHBondContact CB-O 3.37Å; I104-I182 PolarHBondContact N-O 2.99Å; V150-I182 HydrophobicContact CG2-CD1 4.45Å; A153-I182 HydrophobicContact CB-CD1 3.65Å; Y164-I182 HydrophobicContact CD2-CG2 4.23Å; Y164-I182 HydrophobicContact CE1-CG2 4.1Å; Y164-I182 HydrophobicContact CE2-CG2 3.44Å; Y164-I182 VanDerWaalsContact CE2-CG2 3.44Å; Y164-I182 WeakPolarHBondContact OH-CG2 3.45Å; L167-I182 HydrophobicContact CD1-CD1 4.46Å; I180-I182 HydrophobicContact CD1-CD1 4.46Å; I180-I182 HydrophobicContact CD1-CG1 4.08Å
183A96.6Very high95.8Very high15 Ų1539.8 Ų39.812%0.12419%0.193CC..  trans-109.5-170.9-178.300000111I104 Y164 N171 L173 K181I104-A183 HydrophobicContact CB-CB 4.45Å; Y164-A183 PolarHBondContact OH-O 3.45Å; N171-A183 PolarHBondContact O-N 3.35Å; L173-A183 HydrophobicContact CD1-CB 4.08Å; L173-A183 HydrophobicContact CG-CB 4.26Å; K181-A183 PolarHBondContact O-N 3.45Å
184D93.5Very high95.6Very high57 Ų5746.5 Ų46.531%0.30522%0.217SC..  trans46.690.2179.1-157.8-0.1000116.2K72 Y164 G186K72-D184 IonicContact NZ-OD1 2.85Å; K72-D184 PolarHBondContact NZ-OD1 3.11Å; Y164-D184 PolarHBondContact OH-O 2.94Å; D184-G186 VanDerWaalsContact C-N 3.34Å; D184-G186 PolarHBondContact OD1-N 2.98Å
185F95.7Very high95.5Very high1 Ų146.8 Ų46.80%0.00422%0.218CC..  trans-94.311.7-177.2-86.6-127.2000113.3E91 I94 L95 V98 L103 I104 L157 Y164 F187 V188E91-F185 HydrophobicContact CG-CB 4.2Å; I94-F185 HydrophobicContact CG2-CD1 3.84Å; I94-F185 HydrophobicContact CG2-CE1 4.27Å; L95-F185 HydrophobicContact CD1-CB 4.19Å; L95-F185 HydrophobicContact CD2-CB 3.79Å; L95-F185 HydrophobicContact CD2-CD1 3.87Å; L95-F185 HydrophobicContact CD2-CD2 3.86Å; L95-F185 HydrophobicContact CD2-CE1 4.43Å; L95-F185 HydrophobicContact CD2-CE2 4.42Å; L95-F185 HydrophobicContact CD2-CG 3.55Å; L95-F185 HydrophobicContact CG-CB 3.77Å; L95-F185 HydrophobicContact CG-CD1 4.28Å; L95-F185 HydrophobicContact CG-CG 4.04Å; V98-F185 HydrophobicContact CG1-CE1 4.4Å; V98-F185 HydrophobicContact CG2-CE1 3.9Å; V98-F185 HydrophobicContact CG2-CZ 4.44Å; L103-F185 HydrophobicContact CB-CZ 4.22Å; L103-F185 HydrophobicContact CD1-CZ 4.01Å; L103-F185 HydrophobicContact CD2-CE2 4.38Å; L103-F185 HydrophobicContact CD2-CZ 3.88Å; L103-F185 HydrophobicContact CG-CZ 4.23Å; I104-F185 HydrophobicContact CG2-CD2 4.32Å; I104-F185 HydrophobicContact CG2-CE2 4.26Å; L157-F185 HydrophobicContact CD2-CE1 4.19Å; Y164-F185 HydrophobicContact CE2-CD2 4.23Å; Y164-F185 HydrophobicContact CE2-CE2 4.13Å; F185-F187 VanDerWaalsContact C-N 3.27Å; F185-F187 PolarHBondContact O-N 3.47Å; F185-V188 HydrophobicContact CB-CB 4.35Å; F185-V188 HydrophobicContact CB-CG2 3.88Å; F185-V188 HydrophobicContact CD1-CB 4.05Å; F185-V188 HydrophobicContact CD1-CG1 4.2Å; F185-V188 HydrophobicContact CD1-CG2 3.65Å; F185-V188 HydrophobicContact CD2-CG2 4.38Å; F185-V188 HydrophobicContact CE1-CG2 4.25Å; F185-V188 HydrophobicContact CG-CB 4.42Å; F185-V188 HydrophobicContact CG-CG2 3.72Å; F185-V188 WeakPolarHBondContact O-CB 3.3Å; F185-V188 PolarHBondContact O-N 3.31Å
186G93.4Very high95.5Very high4 Ų453.4 Ų53.44%0.04124%0.243CC..THydrogen-bonded Turntrans-55-42.9-178.200000112.4H87 D184 V188H87-G186 PolarHBondContact CE1-O 3.2Å; H87-G186 PolarHBondContact ND1-O 3.21Å; H87-G186 PolarHBondContact NE2-O 3.24Å; D184-G186 VanDerWaalsContact C-N 3.34Å; D184-G186 PolarHBondContact OD1-N 2.98Å; G186-V188 VanDerWaalsContact C-N 3.32Å; G186-V188 PolarHBondContact O-N 3.11Å
187F94.4Very high95.3Very high60 Ų6053.5 Ų53.526%0.26324%0.243SC..THydrogen-bonded Turntrans-84.1-3.1-179.7-62.5-76.4000114.4Y164 R165 D166 F185 C199Y164-F187 CarbonylContact O-C 3.55Å; R165-F187 HydrophobicContact CB-CB 4.22Å; R165-F187 PolarHBondContact NE-O 3.08Å; R165-F187 PolarHBondContact NH2-O 2.87Å; D166-F187 HydrophobicContact CB-CB 4.12Å; D166-F187 HydrophobicContact CB-CD2 3.47Å; D166-F187 VanDerWaalsContact CB-CD2 3.47Å; D166-F187 HydrophobicContact CB-CE2 4.19Å; D166-F187 HydrophobicContact CB-CG 4.04Å; F185-F187 VanDerWaalsContact C-N 3.27Å; F185-F187 PolarHBondContact O-N 3.47Å; F187-C199 HydrophobicContact CD1-CB 3.55Å; F187-C199 HydrophobicContact CE1-CB 3.58Å
188V97.3Very high95.2Very high1 Ų154.2 Ų54.21%0.00624%0.243CC..  trans-75.4134.5-176.8-1710000110.3N90 I94 L162 I163 Y164 F185 G186N90-V188 PolarHBondContact ND2-O 2.91Å; I94-V188 HydrophobicContact CD1-CB 4.35Å; I94-V188 HydrophobicContact CD1-CG1 4.17Å; I94-V188 WeakPolarHBondContact CD1-O 3.42Å; I94-V188 HydrophobicContact CG2-CG1 4.07Å; L162-V188 HydrophobicContact CB-CG1 4.11Å; L162-V188 HydrophobicContact CD1-CG1 4.41Å; L162-V188 HydrophobicContact CD2-CG1 4.24Å; I163-V188 VanDerWaalsContact O-CA 3.29Å; I163-V188 WeakPolarHBondContact O-CA 3.27Å; Y164-V188 HydrophobicContact CD2-CG2 3.51Å; Y164-V188 HydrophobicContact CE2-CG2 3.93Å; Y164-V188 HydrophobicContact CG-CG2 4.36Å; F185-V188 HydrophobicContact CB-CB 4.35Å; F185-V188 HydrophobicContact CB-CG2 3.88Å; F185-V188 HydrophobicContact CD1-CB 4.05Å; F185-V188 HydrophobicContact CD1-CG1 4.2Å; F185-V188 HydrophobicContact CD1-CG2 3.65Å; F185-V188 HydrophobicContact CD2-CG2 4.38Å; F185-V188 HydrophobicContact CE1-CG2 4.25Å; F185-V188 HydrophobicContact CG-CB 4.42Å; F185-V188 HydrophobicContact CG-CG2 3.72Å; F185-V188 WeakPolarHBondContact O-CB 3.3Å; F185-V188 PolarHBondContact O-N 3.31Å; G186-V188 VanDerWaalsContact C-N 3.32Å; G186-V188 PolarHBondContact O-N 3.11Å
189K96.4Very high94.9Very high48 Ų4855 Ų5521%0.20925%0.249CC..EExtended strand (participates in β ladder)trans-155160.2174.873.3173.2-166.61740113.6L162 I163 V191 T195 T197L162-K189 WeakPolarHBondContact CA-O 3.47Å; I163-K189 HydrophobicContact CG1-CG 4.17Å; I163-K189 PolarHBondContact N-O 3.45Å; I163-K189 PolarHBondContact O-N 3.43Å; K189-V191 HydrophobicContact CD-CG2 4.34Å; K189-V191 HydrophobicContact CG-CG2 3.99Å; K189-T195 VanDerWaalsContact CE-OG1 3.22Å; K189-T195 WeakPolarHBondContact CE-OG1 3.43Å; K189-T195 PolarHBondContact NZ-OG1 3.47Å; K189-T197 PolarHBondContact NZ-OG1 3.3Å
190H96.4Very high94.7Very high62 Ų6255.9 Ų55.929%0.28726%0.259SS..EExtended strand (participates in β ladder)trans-68.8131.8169.6-6891.4000111.6Y26 Y30 D161Y26-H190 AromaticContact CE1-NE2 3.57Å; Y26-H190 AromaticContact CZ-CE1 3.97Å; Y26-H190 AromaticContact CZ-NE2 3.57Å; Y26-H190 PolarHBondContact OH-CE1 2.98Å; Y26-H190 PolarHBondContact OH-NE2 3.48Å; Y30-H190 AromaticContact CE2-CE1 3.43Å; Y30-H190 VanDerWaalsContact CE2-CE1 3.43Å; Y30-H190 WeakPolarHBondContact CE2-CE1 3.28Å; Y30-H190 AromaticContact CZ-CE1 3.49Å; Y30-H190 VanDerWaalsContact CZ-CE1 3.49Å; D161-H190 CarbonylContact O-C 3.59Å; D161-H190 VanDerWaalsContact O-CA 3.28Å; D161-H190 WeakPolarHBondContact O-CA 3.32Å
191V94.6Very high94.5Very high10 Ų1056.9 Ų56.96%0.06127%0.265CS..  trans-138.6102.7171.6178.60000109.5D161 I163 K189 T195D161-V191 PolarHBondContact O-N 2.83Å; I163-V191 HydrophobicContact CD1-CB 4.14Å; I163-V191 HydrophobicContact CD1-CG2 3.38Å; I163-V191 HydrophobicContact CG1-CB 4.41Å; I163-V191 HydrophobicContact CG1-CG2 3.77Å; I163-V191 HydrophobicContact CG2-CB 4.4Å; K189-V191 HydrophobicContact CD-CG2 4.34Å; K189-V191 HydrophobicContact CG-CG2 3.99Å; V191-T195 HydrophobicContact CG1-CG2 4.2Å; V191-T195 HydrophobicContact CG2-CG2 3.81Å
192K87Confident94.4Very high171 Ų17157.8 Ų57.874%0.74327%0.272SS*.SBendtrans-74.5-37.9173.6-67.2-172177.3-176.10112.8
193Y90Very high94.3Very high199 Ų19960.2 Ų60.278%0.7828%0.284SS*.SBendtrans-125.1-81.7-175.9-56.6-70000112T216Y193-T216 WeakPolarHBondContact O-CG2 3.32Å
194R94Very high94.4Very high166 Ų16660.1 Ų60.163%0.62628%0.28SS*.  trans-141156.8-178.5-73-175.3176.7176.9-0.7111.4Y196 Y215 T216R194-Y196 HydrophobicContact CB-CE2 4.48Å; R194-Y215 WeakPolarHBondContact CA-O 3.27Å; R194-T216 HydrophobicContact CG-CG2 4.1Å
195T95.4Very high94.6Very high6 Ų657.6 Ų57.64%0.03727%0.267CS..BIsolated β-bridgetrans-134158.1171.41690000110I163 K189 V191 T197 G214 Y215I163-T195 HydrophobicContact CD1-CG2 3.75Å; K189-T195 VanDerWaalsContact CE-OG1 3.22Å; K189-T195 WeakPolarHBondContact CE-OG1 3.43Å; K189-T195 PolarHBondContact NZ-OG1 3.47Å; V191-T195 HydrophobicContact CG1-CG2 4.2Å; V191-T195 HydrophobicContact CG2-CG2 3.81Å; T195-T197 PolarHBondContact OG1-N 3.03Å; T195-G214 WeakPolarHBondContact O-CA 3.34Å; T195-Y215 HydrophobicContact CG2-CD1 4.24Å; T195-Y215 HydrophobicContact CG2-CD2 3.57Å; T195-Y215 HydrophobicContact CG2-CE1 3.92Å; T195-Y215 HydrophobicContact CG2-CE2 3.18Å; T195-Y215 HydrophobicContact CG2-CG 4.08Å; T195-Y215 WeakPolarHBondContact CG2-O 3.27Å; T195-Y215 PolarHBondContact N-O 3.39Å; T195-Y215 WeakPolarHBondContact O-CD1 3.3Å; T195-Y215 WeakPolarHBondContact O-CE1 3.5Å; T195-Y215 PolarHBondContact O-N 2.99Å
196Y96.1Very high94.7Very high150 Ų15057.6 Ų57.659%0.58827%0.267SS*.  trans-126.31.6-177.4-58.3-91.8000113R194 L198R194-Y196 HydrophobicContact CB-CE2 4.48Å; Y196-L198 PolarHBondContact O-N 3.45Å
197T92.9Very high94.9Very high69 Ų6957.7 Ų57.742%0.42327%0.266SS..  trans-66.8118.6-178-47.70000110.7K189 T195 C199 Y215K189-T197 PolarHBondContact NZ-OG1 3.3Å; T195-T197 PolarHBondContact OG1-N 3.03Å; T197-C199 HydrophobicContact CG2-CB 4.42Å; T197-C199 PolarHBondContact O-N 3.43Å; T197-Y215 WeakPolarHBondContact O-CE1 3.43Å; T197-Y215 PolarHBondContact O-OH 3.32Å
198L92.9Very high95Very high103 Ų10355.2 Ų55.254%0.53926%0.256SS..  trans-75.7112.5168.9177.964000109.3Y196 L205 I209Y196-L198 PolarHBondContact O-N 3.45Å; L198-L205 HydrophobicContact CD1-CD1 4.01Å; L198-I209 HydrophobicContact CD1-CG2 3.6Å
199C92.6Very high95Very high17 Ų1755.5 Ų55.512%0.11526%0.257CS..  trans-162.5158.1177.6630000111.3R165 F187 T197 L205R165-C199 PolarHBondContact NH1-SG 3.31Å; F187-C199 HydrophobicContact CD1-CB 3.55Å; F187-C199 HydrophobicContact CE1-CB 3.58Å; T197-C199 HydrophobicContact CG2-CB 4.42Å; T197-C199 PolarHBondContact O-N 3.43Å; C199-L205 WeakPolarHBondContact O-CD2 3.33Å
200G92.5Very high95.1Very high23 Ų2354.9 Ų54.924%0.23726%0.256CS..SBendtrans117.8-174.4-178.600000111.4D166D166-G200 WeakPolarHBondContact OD1-CA 3.3Å
201T94.7Very high95Very high22 Ų2255.9 Ų55.914%0.13526%0.261CS..  trans-90.7128.4-177.6-58.70000110.5D166 K168 E203 Y204 L205D166-T201 PolarHBondContact OD1-N 2.96Å; D166-T201 VanDerWaalsContact OD1-N 3.12Å; D166-T201 PolarHBondContact OD1-OG1 2.97Å; K168-T201 HydrophobicContact CD-CG2 4.12Å; K168-T201 VanDerWaalsContact CD-OG1 3.3Å; K168-T201 WeakPolarHBondContact CD-OG1 3.39Å; K168-T201 WeakPolarHBondContact CE-OG1 3.21Å; K168-T201 PolarHBondContact NZ-OG1 3.4Å; T201-E203 VanDerWaalsContact C-N 3.32Å; T201-E203 WeakPolarHBondContact CG2-OE2 3.47Å; T201-E203 PolarHBondContact O-N 2.68Å; T201-E203 VanDerWaalsContact O-N 3.14Å; T201-Y204 HydrophobicContact CG2-CD2 4.16Å; T201-Y204 PolarHBondContact O-N 3.06Å; T201-L205 PolarHBondContact O-N 2.93Å
202P96.6Very high95Very high30 Ų3059.6 Ų59.620%0.19529%0.287CS..G310 helixtrans-47.8-46.1-168.1-32.537000115.8Y204 L205 P243 I246 Y247 I250P202-Y204 PolarHBondContact O-N 3.26Å; P202-L205 PolarHBondContact O-N 3.2Å; P202-P243 HydrophobicContact CG-CB 4.3Å; P202-I246 HydrophobicContact CB-CD1 4.13Å; P202-I246 HydrophobicContact CB-CG2 4.3Å; P202-Y247 HydrophobicContact CB-CE1 3.73Å; P202-Y247 HydrophobicContact CG-CE1 4.39Å; P202-I250 VanDerWaalsContact O-CD1 3.28Å; P202-I250 WeakPolarHBondContact O-CD1 3.36Å
203E97.6Very high95.3Very high51 Ų5157.1 Ų57.124%0.23828%0.276CS..G310 helixtrans-64.3-22.6-177.5-61.784.4168.700112.9T201 V226 P236 I246T201-E203 VanDerWaalsContact C-N 3.32Å; T201-E203 WeakPolarHBondContact CG2-OE2 3.47Å; T201-E203 PolarHBondContact O-N 2.68Å; T201-E203 VanDerWaalsContact O-N 3.14Å; E203-V226 WeakPolarHBondContact O-CG1 3.49Å; E203-P236 HydrophobicContact CB-CB 4.1Å; E203-P236 HydrophobicContact CB-CG 4.12Å; E203-P236 HydrophobicContact CG-CB 4.45Å; E203-P236 HydrophobicContact CG-CG 3.95Å; E203-I246 HydrophobicContact CG-CD1 4.09Å; E203-I246 HydrophobicContact CG-CG2 4.49Å
204Y98.3Very high95.6Very high13 Ų1348.3 Ų48.35%0.05125%0.246CC..G310 helixtrans-104-6.4-175.3-72.6-94.3000113.3L167 K168 P169 T201 P202 A206 A223 V226 L227 E230L167-Y204 WeakPolarHBondContact O-CD1 3.42Å; L167-Y204 WeakPolarHBondContact O-CE1 3.44Å; L167-Y204 VanDerWaalsContact O-CG 3.23Å; K168-Y204 HydrophobicContact CB-CD2 4.08Å; K168-Y204 HydrophobicContact CB-CE1 4.33Å; K168-Y204 HydrophobicContact CB-CE2 3.85Å; K168-Y204 HydrophobicContact CB-CG 4.47Å; P169-Y204 WeakPolarHBondContact CD-OH 3.4Å; T201-Y204 HydrophobicContact CG2-CD2 4.16Å; T201-Y204 PolarHBondContact O-N 3.06Å; P202-Y204 PolarHBondContact O-N 3.26Å; Y204-A206 PolarHBondContact O-N 3.13Å; Y204-A223 HydrophobicContact CD1-CB 4.29Å; Y204-V226 HydrophobicContact CD1-CB 3.86Å; Y204-V226 HydrophobicContact CD1-CG1 3.52Å; Y204-V226 HydrophobicContact CD2-CG1 4.33Å; Y204-V226 HydrophobicContact CE1-CB 4.02Å; Y204-V226 HydrophobicContact CE1-CG1 3.5Å; Y204-V226 HydrophobicContact CE2-CG1 4.27Å; Y204-V226 HydrophobicContact CG-CG1 3.96Å; Y204-L227 HydrophobicContact CE1-CB 4.05Å; Y204-L227 HydrophobicContact CE1-CD1 4.48Å; Y204-E230 VanDerWaalsContact OH-CD 3.25Å; Y204-E230 PolarHBondContact OH-OE2 3.45Å
205L97.9Very high95.7Very high4 Ų440.6 Ų40.62%0.02122%0.217CC..  trans-68.4133.3179.8-64.6-173.8000111.3L198 C199 T201 P202 I209 I210 W222 Y247L198-L205 HydrophobicContact CD1-CD1 4.01Å; C199-L205 WeakPolarHBondContact O-CD2 3.33Å; T201-L205 PolarHBondContact O-N 2.93Å; P202-L205 PolarHBondContact O-N 3.2Å; L205-I209 HydrophobicContact CD2-CD1 4.33Å; L205-I209 HydrophobicContact CD2-CG2 4.36Å; L205-I210 HydrophobicContact CB-CD1 4.08Å; L205-I210 HydrophobicContact CB-CG1 4.05Å; L205-I210 HydrophobicContact CD1-CG1 4.31Å; L205-W222 PolarHBondContact O-NE1 2.83Å; L205-W222 VanDerWaalsContact O-NE1 3.12Å; L205-Y247 HydrophobicContact CD1-CE1 3.77Å
206A97.9Very high95.7Very high1 Ų142.3 Ų42.31%0.00823%0.228CC..  trans-73.1150.217200000110.9Y204 E208 I209 I210 V219 W222Y204-A206 PolarHBondContact O-N 3.13Å; A206-E208 HydrophobicContact CB-CG 4.38Å; A206-E208 WeakPolarHBondContact CB-OE2 3.33Å; A206-E208 PolarHBondContact O-N 3.05Å; A206-I209 HydrophobicContact CB-CD1 4.39Å; A206-I209 HydrophobicContact CB-CG1 4.43Å; A206-I209 WeakPolarHBondContact O-CB 3.26Å; A206-I209 PolarHBondContact O-N 3.13Å; A206-I210 PolarHBondContact O-N 3.08Å; A206-V219 HydrophobicContact CB-CB 4.05Å; A206-V219 HydrophobicContact CB-CG1 3.92Å; A206-W222 HydrophobicContact CB-CB 3.94Å; A206-W222 HydrophobicContact CB-CD2 4.16Å; A206-W222 HydrophobicContact CB-CG 3.75Å
207P97.7Very high95.7Very high5 Ų537.8 Ų37.83%0.03221%0.211CC..Hα-helixtrans-59.8-33.7-176.622.3-33.1000112.6I209 I210 Q211 W222 I250P207-I209 VanDerWaalsContact C-N 3.31Å; P207-I209 PolarHBondContact O-N 3.47Å; P207-I210 PolarHBondContact O-N 3.02Å; P207-Q211 VanDerWaalsContact O-CB 3.3Å; P207-Q211 WeakPolarHBondContact O-CB 3.45Å; P207-Q211 VanDerWaalsContact O-CG 3.24Å; P207-Q211 WeakPolarHBondContact O-CG 3.23Å; P207-Q211 PolarHBondContact O-N 3.28Å; P207-W222 VanDerWaalsContact CD-CZ3 3.48Å; P207-W222 HydrophobicContact CG-CE3 4.31Å; P207-W222 HydrophobicContact CG-CH2 3.97Å; P207-W222 HydrophobicContact CG-CZ3 3.82Å; P207-I250 HydrophobicContact CB-CG2 4.07Å
208E97.2Very high96Very high8 Ų834.6 Ų34.64%0.03719%0.191CC..Hα-helixtrans-65.6-30.6176.364.2-89.4-153.300113.4A206 S212 K213 V219 R280A206-E208 HydrophobicContact CB-CG 4.38Å; A206-E208 WeakPolarHBondContact CB-OE2 3.33Å; A206-E208 PolarHBondContact O-N 3.05Å; E208-S212 PolarHBondContact O-N 2.96Å; E208-K213 HydrophobicContact CB-CB 3.99Å; E208-K213 WeakPolarHBondContact O-CA 3.48Å; E208-K213 WeakPolarHBondContact O-CB 3.13Å; E208-K213 PolarHBondContact O-N 2.71Å; E208-K213 VanDerWaalsContact O-O 3.08Å; E208-V219 HydrophobicContact CG-CG1 4.1Å; E208-V219 WeakPolarHBondContact OE1-CG1 3.26Å; E208-R280 IonicContact OE1-CZ 3.73Å; E208-R280 IonicContact OE1-NH1 3.68Å; E208-R280 PolarHBondContact OE1-NH1 3.31Å; E208-R280 IonicContact OE1-NH2 2.86Å; E208-R280 PolarHBondContact OE1-NH2 3.03Å; E208-R280 IonicContact OE2-CZ 3.39Å; E208-R280 IonicContact OE2-NH1 2.64Å; E208-R280 IonicContact OE2-NH2 3.46Å; E208-R280 PolarHBondContact OE2-NH2 3.01Å
209I97.3Very high96.2Very high8 Ų829.9 Ų29.94%0.04117%0.167CC..Hα-helixtrans-68-48.8174.3-62.1175.9000109.3L198 L205 A206 P207 Q211 S212 Y215 V219L198-I209 HydrophobicContact CD1-CG2 3.6Å; L205-I209 HydrophobicContact CD2-CD1 4.33Å; L205-I209 HydrophobicContact CD2-CG2 4.36Å; A206-I209 HydrophobicContact CB-CD1 4.39Å; A206-I209 HydrophobicContact CB-CG1 4.43Å; A206-I209 WeakPolarHBondContact O-CB 3.26Å; A206-I209 PolarHBondContact O-N 3.13Å; P207-I209 VanDerWaalsContact C-N 3.31Å; P207-I209 PolarHBondContact O-N 3.47Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; I209-Q211 PolarHBondContact O-N 3.35Å; I209-S212 PolarHBondContact O-N 3.45Å; I209-Y215 HydrophobicContact CB-CD1 4.47Å; I209-Y215 HydrophobicContact CD1-CD2 4.43Å; I209-Y215 HydrophobicContact CD1-CE2 4.3Å; I209-Y215 HydrophobicContact CG1-CD1 3.74Å; I209-Y215 HydrophobicContact CG1-CD2 4.13Å; I209-Y215 HydrophobicContact CG1-CE1 3.91Å; I209-Y215 HydrophobicContact CG1-CE2 4.28Å; I209-Y215 HydrophobicContact CG1-CG 3.86Å; I209-Y215 HydrophobicContact CG2-CE1 4.37Å; I209-V219 HydrophobicContact CD1-CB 3.85Å; I209-V219 HydrophobicContact CD1-CG1 3.74Å; I209-V219 HydrophobicContact CD1-CG2 4.22Å; I209-V219 HydrophobicContact CG1-CB 4.45Å; I209-V219 HydrophobicContact CG1-CG1 3.78Å
210I96.7Very high96.5Very high34 Ų3429.1 Ų29.117%0.17416%0.162CC..Hα-helixtrans-61.7-43.9-179.2-65.9162.4000110.7L205 A206 P207 S212 Y247 I250 V251L205-I210 HydrophobicContact CB-CD1 4.08Å; L205-I210 HydrophobicContact CB-CG1 4.05Å; L205-I210 HydrophobicContact CD1-CG1 4.31Å; A206-I210 PolarHBondContact O-N 3.08Å; P207-I210 PolarHBondContact O-N 3.02Å; I210-S212 PolarHBondContact O-N 3.15Å; I210-S212 VanDerWaalsContact O-N 3.12Å; I210-Y247 HydrophobicContact CD1-CD1 3.81Å; I210-Y247 HydrophobicContact CD1-CG 4.3Å; I210-Y247 HydrophobicContact CG1-CD1 3.97Å; I210-Y247 HydrophobicContact CG1-CG 4.3Å; I210-Y247 HydrophobicContact CG2-CG 4.18Å; I210-I250 HydrophobicContact CD1-CB 3.79Å; I210-I250 HydrophobicContact CD1-CD1 3.76Å; I210-I250 HydrophobicContact CD1-CG1 4.39Å; I210-I250 HydrophobicContact CD1-CG2 3.52Å; I210-V251 HydrophobicContact CB-CG2 4.44Å; I210-V251 HydrophobicContact CG2-CG2 3.87Å
211Q96.1Very high96.8Very high84 Ų8428.3 Ų28.339%0.39315%0.152SC..THydrogen-bonded Turntrans-74.86.3178.1-67.2178-23.200113.3P207 I209 K213 V251P207-Q211 VanDerWaalsContact O-CB 3.3Å; P207-Q211 WeakPolarHBondContact O-CB 3.45Å; P207-Q211 VanDerWaalsContact O-CG 3.24Å; P207-Q211 WeakPolarHBondContact O-CG 3.23Å; P207-Q211 PolarHBondContact O-N 3.28Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; I209-Q211 PolarHBondContact O-N 3.35Å; Q211-K213 HydrophobicContact CB-CD 4.15Å; Q211-K213 HydrophobicContact CB-CG 4.08Å; Q211-K213 PolarHBondContact O-N 2.88Å; Q211-V251 HydrophobicContact CG-CG2 4.05Å
212S94.4Very high97Very high88 Ų8827.3 Ų27.362%0.61515%0.145SC*.THydrogen-bonded Turntrans53.528.5-177.7-59.40000113.5E208 I209 I210E208-S212 PolarHBondContact O-N 2.96Å; I209-S212 PolarHBondContact O-N 3.45Å; I210-S212 PolarHBondContact O-N 3.15Å; I210-S212 VanDerWaalsContact O-N 3.12Å
213K93.3Very high97.1Very high118 Ų11826.1 Ų26.151%0.51314%0.138SC..  trans-79.2131.5171.4-67.5174.1177.4169.30107.1E208 Q211 Y215E208-K213 HydrophobicContact CB-CB 3.99Å; E208-K213 WeakPolarHBondContact O-CA 3.48Å; E208-K213 WeakPolarHBondContact O-CB 3.13Å; E208-K213 PolarHBondContact O-N 2.71Å; E208-K213 VanDerWaalsContact O-O 3.08Å; Q211-K213 HydrophobicContact CB-CD 4.15Å; Q211-K213 HydrophobicContact CB-CG 4.08Å; Q211-K213 PolarHBondContact O-N 2.88Å; K213-Y215 PolarHBondContact O-N 2.68Å
214G94.7Very high97.1Very high14 Ų1423.9 Ų23.914%0.14413%0.128CC..  trans-54.5125.7176.200000110.6T195T195-G214 WeakPolarHBondContact O-CA 3.34Å
215Y96.9Very high97.2Very high5 Ų523.3 Ų23.32%0.0213%0.126CC..BIsolated β-bridgetrans-121.1166.1-169.466.4-93.5000112.6I163 R165 R194 T195 T197 I209 K213 V219I163-Y215 HydrophobicContact CD1-CE2 3.93Å; R165-Y215 WeakPolarHBondContact CD-OH 3.37Å; R165-Y215 PolarHBondContact NH1-OH 3.13Å; R194-Y215 WeakPolarHBondContact CA-O 3.27Å; T195-Y215 HydrophobicContact CG2-CD1 4.24Å; T195-Y215 HydrophobicContact CG2-CD2 3.57Å; T195-Y215 HydrophobicContact CG2-CE1 3.92Å; T195-Y215 HydrophobicContact CG2-CE2 3.18Å; T195-Y215 HydrophobicContact CG2-CG 4.08Å; T195-Y215 WeakPolarHBondContact CG2-O 3.27Å; T195-Y215 PolarHBondContact N-O 3.39Å; T195-Y215 WeakPolarHBondContact O-CD1 3.3Å; T195-Y215 WeakPolarHBondContact O-CE1 3.5Å; T195-Y215 PolarHBondContact O-N 2.99Å; T197-Y215 WeakPolarHBondContact O-CE1 3.43Å; T197-Y215 PolarHBondContact O-OH 3.32Å; I209-Y215 HydrophobicContact CB-CD1 4.47Å; I209-Y215 HydrophobicContact CD1-CD2 4.43Å; I209-Y215 HydrophobicContact CD1-CE2 4.3Å; I209-Y215 HydrophobicContact CG1-CD1 3.74Å; I209-Y215 HydrophobicContact CG1-CD2 4.13Å; I209-Y215 HydrophobicContact CG1-CE1 3.91Å; I209-Y215 HydrophobicContact CG1-CE2 4.28Å; I209-Y215 HydrophobicContact CG1-CG 3.86Å; I209-Y215 HydrophobicContact CG2-CE1 4.37Å; K213-Y215 PolarHBondContact O-N 2.68Å; Y215-V219 HydrophobicContact CD2-CB 4.38Å; Y215-V219 HydrophobicContact CD2-CG1 3.54Å; Y215-V219 HydrophobicContact CD2-CG2 3.95Å; Y215-V219 HydrophobicContact CE2-CG1 4.4Å; Y215-V219 HydrophobicContact CE2-CG2 4.19Å; Y215-V219 HydrophobicContact CG-CG1 3.88Å
216T95.5Very high97.2Very high42 Ų4223.1 Ų23.126%0.25813%0.125SC..  trans-132.2-164.5-174.373.40000110.5Y193 R194 A218 V219Y193-T216 WeakPolarHBondContact O-CG2 3.32Å; R194-T216 HydrophobicContact CG-CG2 4.1Å; T216-A218 PolarHBondContact O-N 2.88Å; T216-A218 PolarHBondContact OG1-N 3.21Å; T216-V219 WeakPolarHBondContact O-CG2 3.45Å; T216-V219 PolarHBondContact O-N 3.05Å
217K96.7Very high97.3Very high54 Ų5423.1 Ų23.124%0.23513%0.125CC..THydrogen-bonded Turntrans-50.5-24.1173.3-67.5164.6-173.1177.40114.6H158 D161 I163 V219 D220H158-K217 HydrophobicContact CB-CD 3.88Å; H158-K217 HydrophobicContact CB-CG 4.32Å; H158-K217 PolarHBondContact CE1-O 3.19Å; H158-K217 WeakPolarHBondContact O-CE 3.06Å; H158-K217 PolarHBondContact O-NZ 2.84Å; D161-K217 IonicContact OD1-NZ 3.41Å; D161-K217 PolarHBondContact OD1-NZ 2.77Å; I163-K217 HydrophobicContact CG2-CB 4.08Å; I163-K217 HydrophobicContact CG2-CG 3.48Å; I163-K217 VanDerWaalsContact CG2-CG 3.48Å; K217-V219 PolarHBondContact O-N 3.36Å; K217-D220 PolarHBondContact O-N 3.03Å; K217-D220 VanDerWaalsContact O-N 3.11Å
218A97.5Very high97.3Very high2 Ų223 Ų232%0.01712%0.124CC..Hα-helixtrans-58.4-21.9-178.900000114.8T216 D220 W221 W222 L277 R280 N283T216-A218 PolarHBondContact O-N 2.88Å; T216-A218 PolarHBondContact OG1-N 3.21Å; A218-D220 VanDerWaalsContact C-N 3.32Å; A218-W221 PolarHBondContact O-N 3.09Å; A218-W222 PolarHBondContact O-N 2.85Å; A218-L277 HydrophobicContact CB-CD2 4.11Å; A218-R280 PolarHBondContact O-NH1 2.6Å; A218-N283 HydrophobicContact CB-CB 4.01Å
219V98.2Very high97.4Very high5 Ų523 Ų233%0.0312%0.123CC..Hα-helixtrans-68.7-30.8178.2-57.70000112.5R165 A206 E208 I209 Y215 T216 K217 W221 W222 A223R165-V219 HydrophobicContact CG-CG2 4.45Å; A206-V219 HydrophobicContact CB-CB 4.05Å; A206-V219 HydrophobicContact CB-CG1 3.92Å; E208-V219 HydrophobicContact CG-CG1 4.1Å; E208-V219 WeakPolarHBondContact OE1-CG1 3.26Å; I209-V219 HydrophobicContact CD1-CB 3.85Å; I209-V219 HydrophobicContact CD1-CG1 3.74Å; I209-V219 HydrophobicContact CD1-CG2 4.22Å; I209-V219 HydrophobicContact CG1-CB 4.45Å; I209-V219 HydrophobicContact CG1-CG1 3.78Å; Y215-V219 HydrophobicContact CD2-CB 4.38Å; Y215-V219 HydrophobicContact CD2-CG1 3.54Å; Y215-V219 HydrophobicContact CD2-CG2 3.95Å; Y215-V219 HydrophobicContact CE2-CG1 4.4Å; Y215-V219 HydrophobicContact CE2-CG2 4.19Å; Y215-V219 HydrophobicContact CG-CG1 3.88Å; T216-V219 WeakPolarHBondContact O-CG2 3.45Å; T216-V219 PolarHBondContact O-N 3.05Å; K217-V219 PolarHBondContact O-N 3.36Å; V219-W221 VanDerWaalsContact C-N 3.33Å; V219-W222 WeakPolarHBondContact O-CB 3.39Å; V219-W222 PolarHBondContact O-N 3.43Å; V219-A223 PolarHBondContact O-N 3.02Å
220D98.6Very high97.5Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-71.6-31.8178.7-66.7-29.2000111L154 H158 I163 Y164 R165 K217 A218 A223 A224L154-D220 HydrophobicContact CD1-CB 4Å; L154-D220 HydrophobicContact CD2-CB 3.86Å; H158-D220 IonicContact CD2-OD2 3.06Å; H158-D220 IonicContact CE1-OD2 3.82Å; H158-D220 IonicContact NE2-OD2 3.35Å; H158-D220 PolarHBondContact NE2-OD2 3.4Å; I163-D220 WeakPolarHBondContact CA-OD2 3.38Å; Y164-D220 PolarHBondContact N-OD1 3.07Å; Y164-D220 PolarHBondContact N-OD2 2.85Å; R165-D220 PolarHBondContact N-OD1 2.84Å; K217-D220 PolarHBondContact O-N 3.03Å; K217-D220 VanDerWaalsContact O-N 3.11Å; A218-D220 VanDerWaalsContact C-N 3.32Å; D220-A223 PolarHBondContact O-N 3.4Å; D220-A224 WeakPolarHBondContact O-CB 3.38Å; D220-A224 PolarHBondContact O-N 2.8Å
221W98.7Very high97.6Very high7 Ų721.7 Ų21.73%0.02712%0.116CC..Hα-helixtrans-70.1-33.8174.6-59.1128.5000112.6I151 L154 H158 A218 V219 A224 G225 L272 V288 I291I151-W221 HydrophobicContact CB-CZ3 4.37Å; I151-W221 HydrophobicContact CG1-CZ3 4.21Å; I151-W221 HydrophobicContact CG2-CH2 4.36Å; I151-W221 HydrophobicContact CG2-CZ3 4.14Å; L154-W221 HydrophobicContact CB-CH2 3.66Å; L154-W221 HydrophobicContact CB-CZ2 4.39Å; L154-W221 HydrophobicContact CB-CZ3 3.78Å; L154-W221 HydrophobicContact CD1-CE3 4.01Å; L154-W221 HydrophobicContact CD1-CZ3 3.85Å; L154-W221 HydrophobicContact CG-CZ3 4.49Å; H158-W221 AromaticContact CE1-CE2 3.61Å; H158-W221 AromaticContact CE1-CZ2 3.78Å; H158-W221 AromaticContact CE1-NE1 3.58Å; H158-W221 AromaticContact ND1-CE2 3.56Å; H158-W221 AromaticContact ND1-CZ2 3.43Å; H158-W221 WeakPolarHBondContact ND1-CZ2 3.41Å; H158-W221 AromaticContact ND1-NE1 3.5Å; H158-W221 PolarHBondContact ND1-NE1 2.78Å; A218-W221 PolarHBondContact O-N 3.09Å; V219-W221 VanDerWaalsContact C-N 3.33Å; W221-A224 PolarHBondContact O-N 3.15Å; W221-G225 PolarHBondContact O-N 3.2Å; W221-L272 HydrophobicContact CB-CD2 4.33Å; W221-V288 HydrophobicContact CH2-CB 4.22Å; W221-V288 HydrophobicContact CH2-CG2 3.52Å; W221-V288 HydrophobicContact CZ2-CB 4.01Å; W221-V288 HydrophobicContact CZ2-CG2 3.84Å; W221-V288 HydrophobicContact CZ3-CG2 4.28Å; W221-I291 HydrophobicContact CB-CD1 4.43Å; W221-I291 HydrophobicContact CD2-CD1 3.53Å; W221-I291 HydrophobicContact CE3-CD1 3.35Å; W221-I291 HydrophobicContact CG-CD1 4.02Å; W221-I291 HydrophobicContact CH2-CD1 4.42Å; W221-I291 HydrophobicContact CZ3-CD1 3.83Å
222W98.7Very high97.7Very high1 Ų117.8 Ų17.80%0.00410%0.098CC..Hα-helixtrans-60.9-51.9168.5172.2-79.4000110.5L205 A206 P207 A218 V219 A224 G225 V226 F238 I250 I273L205-W222 PolarHBondContact O-NE1 2.83Å; L205-W222 VanDerWaalsContact O-NE1 3.12Å; A206-W222 HydrophobicContact CB-CB 3.94Å; A206-W222 HydrophobicContact CB-CD2 4.16Å; A206-W222 HydrophobicContact CB-CG 3.75Å; P207-W222 VanDerWaalsContact CD-CZ3 3.48Å; P207-W222 HydrophobicContact CG-CE3 4.31Å; P207-W222 HydrophobicContact CG-CH2 3.97Å; P207-W222 HydrophobicContact CG-CZ3 3.82Å; A218-W222 PolarHBondContact O-N 2.85Å; V219-W222 WeakPolarHBondContact O-CB 3.39Å; V219-W222 PolarHBondContact O-N 3.43Å; W222-A224 VanDerWaalsContact C-N 3.27Å; W222-A224 PolarHBondContact O-N 2.8Å; W222-G225 WeakPolarHBondContact O-CA 3.41Å; W222-G225 PolarHBondContact O-N 2.81Å; W222-V226 PolarHBondContact O-N 2.86Å; W222-F238 HydrophobicContact CH2-CE2 4.1Å; W222-F238 HydrophobicContact CH2-CZ 4.29Å; W222-F238 HydrophobicContact CZ2-CD2 4.35Å; W222-F238 AromaticContact CZ2-CE2 3.6Å; W222-F238 HydrophobicContact CZ2-CE2 3.6Å; W222-F238 HydrophobicContact CZ2-CZ 4.22Å; W222-I250 HydrophobicContact CH2-CG2 4.31Å; W222-I250 HydrophobicContact CZ2-CG2 3.8Å; W222-I273 HydrophobicContact CD2-CG2 4.32Å; W222-I273 HydrophobicContact CE3-CG2 4.16Å; W222-I273 HydrophobicContact CH2-CG2 3.59Å; W222-I273 HydrophobicContact CZ2-CG2 3.76Å; W222-I273 HydrophobicContact CZ3-CG2 3.8Å
223A98.8Very high97.9Very high5 Ų514.3 Ų14.34%0.0418%0.075CC..Hα-helixtrans-60.7-36.1179.500000112.1L167 Y204 V219 D220 G225 V226 L227L167-A223 HydrophobicContact CB-CB 4.03Å; L167-A223 HydrophobicContact CD2-CB 4.32Å; Y204-A223 HydrophobicContact CD1-CB 4.29Å; V219-A223 PolarHBondContact O-N 3.02Å; D220-A223 PolarHBondContact O-N 3.4Å; A223-G225 VanDerWaalsContact C-N 3.34Å; A223-G225 PolarHBondContact O-N 2.94Å; A223-V226 PolarHBondContact O-N 2.9Å; A223-L227 WeakPolarHBondContact O-CB 3.42Å; A223-L227 PolarHBondContact O-N 2.92Å
224A98.9Very high98.1Very high4 Ų49.3 Ų9.33%0.0336%0.057CC..Hα-helixtrans-63.9-38.4172.900000112.1L154 L167 D220 W221 W222 L227 I228L154-A224 HydrophobicContact CD1-CB 4.13Å; L167-A224 HydrophobicContact CD2-CB 4.05Å; D220-A224 WeakPolarHBondContact O-CB 3.38Å; D220-A224 PolarHBondContact O-N 2.8Å; W221-A224 PolarHBondContact O-N 3.15Å; W222-A224 VanDerWaalsContact C-N 3.27Å; W222-A224 PolarHBondContact O-N 2.8Å; A224-L227 PolarHBondContact O-N 3.02Å; A224-I228 VanDerWaalsContact O-CG1 3.25Å; A224-I228 WeakPolarHBondContact O-CG1 3.5Å; A224-I228 PolarHBondContact O-N 2.87Å
225G98.8Very high98.2Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-62.1-46.5171.600000112.5W221 W222 A223 L227 I228 Y229 L269W221-G225 PolarHBondContact O-N 3.2Å; W222-G225 WeakPolarHBondContact O-CA 3.41Å; W222-G225 PolarHBondContact O-N 2.81Å; A223-G225 VanDerWaalsContact C-N 3.34Å; A223-G225 PolarHBondContact O-N 2.94Å; G225-L227 VanDerWaalsContact C-N 3.34Å; G225-L227 PolarHBondContact O-N 2.95Å; G225-I228 PolarHBondContact O-N 2.68Å; G225-Y229 PolarHBondContact O-N 3.37Å; G225-L269 WeakPolarHBondContact O-CD2 3.5Å
226V98.8Very high98.3Very high0 Ų012.6 Ų12.60%07%0.07CC..Hα-helixtrans-58.2-46.5174.7173.70000110.8E203 Y204 W222 A223 I228 Y229 E230 P236 P237E203-V226 WeakPolarHBondContact O-CG1 3.49Å; Y204-V226 HydrophobicContact CD1-CB 3.86Å; Y204-V226 HydrophobicContact CD1-CG1 3.52Å; Y204-V226 HydrophobicContact CD2-CG1 4.33Å; Y204-V226 HydrophobicContact CE1-CB 4.02Å; Y204-V226 HydrophobicContact CE1-CG1 3.5Å; Y204-V226 HydrophobicContact CE2-CG1 4.27Å; Y204-V226 HydrophobicContact CG-CG1 3.96Å; W222-V226 PolarHBondContact O-N 2.86Å; A223-V226 PolarHBondContact O-N 2.9Å; V226-I228 PolarHBondContact O-N 3.46Å; V226-Y229 WeakPolarHBondContact O-CB 3.31Å; V226-Y229 PolarHBondContact O-N 3.46Å; V226-E230 WeakPolarHBondContact O-CB 3.36Å; V226-E230 PolarHBondContact O-N 3.05Å; V226-P236 HydrophobicContact CG1-CB 4.4Å; V226-P237 HydrophobicContact CG1-CG 4.37Å; V226-P237 HydrophobicContact CG2-CG 4.26Å
227L98.9Very high98.4Very high2 Ų211.1 Ų11.11%0.016%0.062CC..Hα-helixtrans-60.3-45.8177.8-17968.2000112.2V150 L167 P169 I172 Y204 A223 A224 G225 Y229 E230 M231V150-L227 HydrophobicContact CG1-CD2 4.38Å; V150-L227 HydrophobicContact CG2-CD2 3.95Å; L167-L227 HydrophobicContact CD1-CD2 4.17Å; L167-L227 HydrophobicContact CD2-CB 4.44Å; L167-L227 HydrophobicContact CD2-CD2 3.99Å; L167-L227 HydrophobicContact CG-CD2 4.07Å; P169-L227 HydrophobicContact CG-CD1 3.76Å; I172-L227 HydrophobicContact CD1-CD1 4.11Å; I172-L227 HydrophobicContact CD1-CD2 3.51Å; I172-L227 HydrophobicContact CD1-CG 4.47Å; Y204-L227 HydrophobicContact CE1-CB 4.05Å; Y204-L227 HydrophobicContact CE1-CD1 4.48Å; A223-L227 WeakPolarHBondContact O-CB 3.42Å; A223-L227 PolarHBondContact O-N 2.92Å; A224-L227 PolarHBondContact O-N 3.02Å; G225-L227 VanDerWaalsContact C-N 3.34Å; G225-L227 PolarHBondContact O-N 2.95Å; L227-Y229 VanDerWaalsContact C-N 3.35Å; L227-E230 PolarHBondContact O-N 2.98Å; L227-M231 HydrophobicContact CG-CE 4.19Å; L227-M231 WeakPolarHBondContact O-CG 3.45Å; L227-M231 PolarHBondContact O-N 3.08Å
228I98.9Very high98.5Very high1 Ų18.7 Ų8.71%0.0055%0.051CC..Hα-helixtrans-61.9-45177.3-68.8164000110.5S147 A224 G225 V226 E230 M231 V232 L265 L268 L269 L272 W296S147-I228 VanDerWaalsContact CB-CG1 3.48Å; A224-I228 VanDerWaalsContact O-CG1 3.25Å; A224-I228 WeakPolarHBondContact O-CG1 3.5Å; A224-I228 PolarHBondContact O-N 2.87Å; G225-I228 PolarHBondContact O-N 2.68Å; V226-I228 PolarHBondContact O-N 3.46Å; I228-E230 VanDerWaalsContact C-N 3.35Å; I228-M231 HydrophobicContact CG1-CE 4.22Å; I228-M231 PolarHBondContact O-N 2.98Å; I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 2.69Å; I228-L265 HydrophobicContact CG2-CD1 3.63Å; I228-L268 HydrophobicContact CD1-CD2 4.31Å; I228-L269 HydrophobicContact CB-CD2 4Å; I228-L269 HydrophobicContact CG2-CD2 3.91Å; I228-L272 HydrophobicContact CD1-CD1 3.97Å; I228-W296 HydrophobicContact CG2-CH2 3.92Å; I228-W296 HydrophobicContact CG2-CZ2 4.45Å; I228-W296 HydrophobicContact CG2-CZ3 4.28Å
229Y98.9Very high98.3Very high8 Ų813.4 Ų13.43%0.0317%0.071CC..Hα-helixtrans-57.2-51.3175.4-178.6-73.4000110.1G225 V226 L227 M231 V232 A233 H235 P237 Y255 K256 F257 F261 L269G225-Y229 PolarHBondContact O-N 3.37Å; V226-Y229 WeakPolarHBondContact O-CB 3.31Å; V226-Y229 PolarHBondContact O-N 3.46Å; L227-Y229 VanDerWaalsContact C-N 3.35Å; Y229-M231 PolarHBondContact O-N 2.5Å; Y229-V232 PolarHBondContact O-N 3.29Å; Y229-V232 VanDerWaalsContact O-N 3.16Å; Y229-A233 HydrophobicContact CD1-CB 3.79Å; Y229-A233 HydrophobicContact CE1-CB 3.4Å; Y229-A233 VanDerWaalsContact CE1-CB 3.4Å; Y229-A233 VanDerWaalsContact O-CB 3.23Å; Y229-A233 WeakPolarHBondContact O-CB 3.48Å; Y229-A233 PolarHBondContact O-N 2.94Å; Y229-H235 VanDerWaalsContact CD1-O 3.32Å; Y229-H235 WeakPolarHBondContact CD1-O 3.34Å; Y229-H235 VanDerWaalsContact CE1-O 3.29Å; Y229-H235 WeakPolarHBondContact CE1-O 3.24Å; Y229-P237 HydrophobicContact CD1-CB 3.79Å; Y229-P237 VanDerWaalsContact CD1-CD 3.49Å; Y229-P237 HydrophobicContact CD1-CG 4.05Å; Y229-P237 HydrophobicContact CD2-CB 3.93Å; Y229-P237 HydrophobicContact CE1-CB 3.86Å; Y229-P237 HydrophobicContact CE2-CB 3.99Å; Y229-P237 HydrophobicContact CG-CB 3.86Å; Y229-P237 HydrophobicContact CG-CG 4.05Å; Y229-Y255 HydrophobicContact CD2-CD2 4.35Å; Y229-Y255 HydrophobicContact CD2-CE2 4.5Å; Y229-Y255 HydrophobicContact CE2-CD2 4.07Å; Y229-K256 PolarHBondContact OH-O 2.94Å; Y229-F257 HydrophobicContact CE2-CD1 4.28Å; Y229-F261 AromaticContact CD2-CE2 3.84Å; Y229-F261 HydrophobicContact CD2-CE2 3.84Å; Y229-F261 HydrophobicContact CD2-CZ 4.25Å; Y229-F261 HydrophobicContact CE2-CE2 4Å; Y229-F261 HydrophobicContact CE2-CZ 4.28Å; Y229-F261 HydrophobicContact CG-CE2 4.42Å; Y229-L269 HydrophobicContact CD2-CD1 4.02Å
230E98.7Very high98.2Very high15 Ų1514.1 Ų14.17%0.078%0.078CC..Hα-helixtrans-62.3-41.7-177178.5167.7166.600112.2L132 Y204 V226 L227 I228 V232 G234 H235L132-E230 HydrophobicContact CD2-CG 3.76Å; Y204-E230 VanDerWaalsContact OH-CD 3.25Å; Y204-E230 PolarHBondContact OH-OE2 3.45Å; V226-E230 WeakPolarHBondContact O-CB 3.36Å; V226-E230 PolarHBondContact O-N 3.05Å; L227-E230 PolarHBondContact O-N 2.98Å; I228-E230 VanDerWaalsContact C-N 3.35Å; E230-V232 VanDerWaalsContact C-N 3.29Å; E230-V232 PolarHBondContact O-N 3.43Å; E230-G234 VanDerWaalsContact O-CA 3.29Å; E230-G234 WeakPolarHBondContact O-CA 3.24Å; E230-G234 PolarHBondContact O-N 3.22Å; E230-H235 WeakPolarHBondContact CA-O 3.14Å
231M98.8Very high98Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-57.4-40.8175.2-76.2-169.6-67.200112.2M128 F138 A143 Y146 L227 I228 Y229M128-M231 HydrophobicContact SD-CG 4.43Å; M128-M231 HydrophobicContact SD-SD 3.92Å; F138-M231 WeakPolarHBondContact CB-O 3.4Å; F138-M231 HydrophobicContact CD2-CB 4.07Å; F138-M231 HydrophobicContact CD2-CG 3.93Å; F138-M231 HydrophobicContact CD2-SD 4.01Å; F138-M231 HydrophobicContact CE2-CG 4.33Å; F138-M231 HydrophobicContact CE2-SD 4.35Å; F138-M231 PolarHBondContact N-O 3.06Å; A143-M231 HydrophobicContact CB-CB 3.94Å; A143-M231 HydrophobicContact CB-CE 4.03Å; A143-M231 HydrophobicContact CB-SD 4.37Å; A143-M231 WeakPolarHBondContact O-CE 3.39Å; Y146-M231 HydrophobicContact CD2-SD 4.31Å; L227-M231 HydrophobicContact CG-CE 4.19Å; L227-M231 WeakPolarHBondContact O-CG 3.45Å; L227-M231 PolarHBondContact O-N 3.08Å; I228-M231 HydrophobicContact CG1-CE 4.22Å; I228-M231 PolarHBondContact O-N 2.98Å; Y229-M231 PolarHBondContact O-N 2.5Å
232V98.7Very high97.9Very high2 Ų226.9 Ų26.91%0.01214%0.143CC..Hα-helixtrans-91.3-27.1-174.5-173.10000112.9R137 E140 A143 I228 Y229 E230 H260 F261 L265R137-V232 WeakPolarHBondContact CD-O 3.39Å; E140-V232 HydrophobicContact CG-CG1 3.79Å; E140-V232 HydrophobicContact CG-CG2 4.27Å; A143-V232 HydrophobicContact CB-CG2 3.45Å; A143-V232 VanDerWaalsContact CB-CG2 3.45Å; I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 2.69Å; Y229-V232 PolarHBondContact O-N 3.29Å; Y229-V232 VanDerWaalsContact O-N 3.16Å; E230-V232 VanDerWaalsContact C-N 3.29Å; E230-V232 PolarHBondContact O-N 3.43Å; V232-H260 PolarHBondContact O-NE2 3.36Å; V232-H260 VanDerWaalsContact O-NE2 3.08Å; V232-F261 HydrophobicContact CB-CE1 3.92Å; V232-F261 HydrophobicContact CB-CZ 3.92Å; V232-F261 HydrophobicContact CG1-CD1 3.9Å; V232-F261 HydrophobicContact CG1-CE1 3.55Å; V232-F261 HydrophobicContact CG1-CZ 4.04Å; V232-L265 HydrophobicContact CB-CD2 4.05Å; V232-L265 HydrophobicContact CG1-CD2 3.75Å; V232-L265 HydrophobicContact CG2-CD2 4.01Å
233A98.5Very high97.7Very high15 Ų1529.5 Ų29.512%0.12416%0.16CC..Hα-helixtrans-85.8-34176.500000112.7Y229 P258 F261Y229-A233 HydrophobicContact CD1-CB 3.79Å; Y229-A233 HydrophobicContact CE1-CB 3.4Å; Y229-A233 VanDerWaalsContact CE1-CB 3.4Å; Y229-A233 VanDerWaalsContact O-CB 3.23Å; Y229-A233 WeakPolarHBondContact O-CB 3.48Å; Y229-A233 PolarHBondContact O-N 2.94Å; A233-P258 HydrophobicContact CB-CG 4.22Å; A233-F261 HydrophobicContact CB-CE1 4.18Å; A233-F261 HydrophobicContact CB-CZ 3.88Å
234G98Very high97.6Very high13 Ų1334.1 Ų34.113%0.13418%0.183CC..SBendtrans89.60.5-169.300000114.9G136 E230G136-G234 WeakPolarHBondContact O-CA 3.28Å; E230-G234 VanDerWaalsContact O-CA 3.29Å; E230-G234 WeakPolarHBondContact O-CA 3.24Å; E230-G234 PolarHBondContact O-N 3.22Å
235H97.6Very high97.5Very high70 Ų7037.6 Ų37.632%0.32420%0.198SC..SBendtrans-155.1154.8178.464.882.5000109.6Y229 E230 F239Y229-H235 VanDerWaalsContact CD1-O 3.32Å; Y229-H235 WeakPolarHBondContact CD1-O 3.34Å; Y229-H235 VanDerWaalsContact CE1-O 3.29Å; Y229-H235 WeakPolarHBondContact CE1-O 3.24Å; E230-H235 WeakPolarHBondContact CA-O 3.14Å; H235-F239 AromaticContact CE1-CE1 3.95Å; H235-F239 AromaticContact ND1-CD1 3.97Å; H235-F239 AromaticContact ND1-CE1 3.64Å
236P98.1Very high97.5Very high18 Ų1837.8 Ų37.812%0.11720%0.199CC..  trans-66.3158.7177.121.7-26.6000112.1E203 V226 F238 F239E203-P236 HydrophobicContact CB-CB 4.1Å; E203-P236 HydrophobicContact CB-CG 4.12Å; E203-P236 HydrophobicContact CG-CB 4.45Å; E203-P236 HydrophobicContact CG-CG 3.95Å; V226-P236 HydrophobicContact CG1-CB 4.4Å; P236-F238 VanDerWaalsContact C-N 3.3Å; P236-F239 HydrophobicContact CG-CB 4.21Å; P236-F239 VanDerWaalsContact O-CD1 3.3Å; P236-F239 WeakPolarHBondContact O-CD1 3.47Å
237P98.1Very high97.4Very high12 Ų1240.5 Ų40.58%0.07821%0.21CC..SBendtrans-69.9-28.1179.226.5-30.2000112.8V226 Y229 Y255 I273V226-P237 HydrophobicContact CG1-CG 4.37Å; V226-P237 HydrophobicContact CG2-CG 4.26Å; Y229-P237 HydrophobicContact CD1-CB 3.79Å; Y229-P237 VanDerWaalsContact CD1-CD 3.49Å; Y229-P237 HydrophobicContact CD1-CG 4.05Å; Y229-P237 HydrophobicContact CD2-CB 3.93Å; Y229-P237 HydrophobicContact CE1-CB 3.86Å; Y229-P237 HydrophobicContact CE2-CB 3.99Å; Y229-P237 HydrophobicContact CG-CB 3.86Å; Y229-P237 HydrophobicContact CG-CG 4.05Å; P237-Y255 HydrophobicContact CB-CD2 4.05Å; P237-Y255 HydrophobicContact CB-CG 4.15Å; P237-I273 HydrophobicContact CG-CD1 4.09Å
238F98Very high97.3Very high2 Ų245.8 Ų45.81%0.00924%0.235CC..SBendtrans-120.9115.5175.5-46.3-76.9000108.1W222 P236 R249 I250 Y255 I273W222-F238 HydrophobicContact CH2-CE2 4.1Å; W222-F238 HydrophobicContact CH2-CZ 4.29Å; W222-F238 HydrophobicContact CZ2-CD2 4.35Å; W222-F238 AromaticContact CZ2-CE2 3.6Å; W222-F238 HydrophobicContact CZ2-CE2 3.6Å; W222-F238 HydrophobicContact CZ2-CZ 4.22Å; P236-F238 VanDerWaalsContact C-N 3.3Å; F238-R249 HydrophobicContact CB-CB 4.43Å; F238-R249 HydrophobicContact CD1-CB 4.17Å; F238-I250 HydrophobicContact CB-CD1 4.44Å; F238-I250 HydrophobicContact CB-CG1 3.7Å; F238-I250 HydrophobicContact CD1-CG1 4.27Å; F238-I250 HydrophobicContact CD2-CG1 3.65Å; F238-I250 HydrophobicContact CE2-CG1 4.35Å; F238-I250 HydrophobicContact CG-CG1 3.61Å; F238-Y255 HydrophobicContact CE1-CD1 4.03Å; F238-Y255 HydrophobicContact CE1-CG 4.38Å; F238-Y255 AromaticContact CZ-CD1 3.68Å; F238-Y255 HydrophobicContact CZ-CD1 3.68Å; F238-Y255 HydrophobicContact CZ-CE1 4.39Å; F238-Y255 HydrophobicContact CZ-CG 4.21Å; F238-I273 HydrophobicContact CE2-CG2 3.73Å; F238-I273 HydrophobicContact CZ-CG2 4.01Å
239F94.5Very high97.3Very high102 Ų10250.9 Ų50.945%0.44725%0.254SS..  trans-146.3148.7178.461.6-82.2000108.6H235 P236 R249H235-F239 AromaticContact CE1-CE1 3.95Å; H235-F239 AromaticContact ND1-CD1 3.97Å; H235-F239 AromaticContact ND1-CE1 3.64Å; P236-F239 HydrophobicContact CG-CB 4.21Å; P236-F239 VanDerWaalsContact O-CD1 3.3Å; P236-F239 WeakPolarHBondContact O-CD1 3.47Å; F239-R249 VanDerWaalsContact O-CZ 3.24Å; F239-R249 PolarHBondContact O-NH1 3.42Å
240A95.7Very high97.2Very high20 Ų2050.5 Ų50.517%0.16525%0.252CS..  trans-163.1172.7174.700000108E245 I246A240-E245 HydrophobicContact CB-CB 3.45Å; A240-E245 VanDerWaalsContact CB-CB 3.45Å; A240-I246 HydrophobicContact CB-CG1 3.81Å
241D93.9Very high97.2Very high161 Ų16152.6 Ų52.686%0.86127%0.266SS*.SBendtrans-74.9-36.6-177.8-63.2-31.7000111.6
242E96.5Very high97.1Very high114 Ų11457.8 Ų57.853%0.53329%0.293SS..SBendtrans-108.5139.4-179.9-68.9-61.6147.100112I244 E245 I246E242-I244 HydrophobicContact CB-CG2 4.19Å; E242-I244 PolarHBondContact O-N 2.96Å; E242-I244 VanDerWaalsContact O-N 3.1Å; E242-E245 HydrophobicContact CB-CG 4.41Å; E242-E245 PolarHBondContact O-N 3.23Å; E242-I246 PolarHBondContact O-N 2.96Å
243P95Very high96.8Very high55 Ų5558.9 Ų58.936%0.35731%0.305SS..Hα-helixtrans-54.1-34.3179.7-2935.4000114.5P202 E245 I246 Y247P202-P243 HydrophobicContact CG-CB 4.3Å; P243-E245 VanDerWaalsContact C-N 3.34Å; P243-E245 PolarHBondContact O-N 3.47Å; P243-I246 WeakPolarHBondContact O-CB 3.23Å; P243-I246 PolarHBondContact O-N 3.27Å; P243-Y247 HydrophobicContact CB-CE2 4.4Å; P243-Y247 WeakPolarHBondContact O-CD1 3.19Å; P243-Y247 WeakPolarHBondContact O-CD2 3.38Å; P243-Y247 PolarHBondContact O-N 2.97Å
244I96.2Very high96.6Very high102 Ų10266.4 Ų66.452%0.52333%0.334SS..Hα-helixtrans-64.5-38.2179.7-166.861000112E242 I246 Y247 E248E242-I244 HydrophobicContact CB-CG2 4.19Å; E242-I244 PolarHBondContact O-N 2.96Å; E242-I244 VanDerWaalsContact O-N 3.1Å; I244-I246 VanDerWaalsContact C-N 3.35Å; I244-Y247 HydrophobicContact CD1-CD2 4.3Å; I244-Y247 WeakPolarHBondContact O-CB 3.39Å; I244-Y247 PolarHBondContact O-N 3.23Å; I244-E248 WeakPolarHBondContact O-CG 3.44Å; I244-E248 PolarHBondContact O-N 2.9Å
245E97.4Very high96.5Very high77 Ų7768 Ų6836%0.3634%0.337SS..Hα-helixtrans-70.2-34.3176.9-65.1-176.1-165.200111.5A240 E242 P243 Y247 E248 R249A240-E245 HydrophobicContact CB-CB 3.45Å; A240-E245 VanDerWaalsContact CB-CB 3.45Å; E242-E245 HydrophobicContact CB-CG 4.41Å; E242-E245 PolarHBondContact O-N 3.23Å; P243-E245 VanDerWaalsContact C-N 3.34Å; P243-E245 PolarHBondContact O-N 3.47Å; E245-Y247 VanDerWaalsContact C-N 3.33Å; E245-E248 PolarHBondContact O-N 3.4Å; E245-R249 VanDerWaalsContact O-CG 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.48Å; E245-R249 PolarHBondContact O-N 3.42Å
246I97.6Very high96.5Very high5 Ų573.3 Ų73.33%0.02636%0.359CS..Hα-helixtrans-60.9-46.9172.1-60174.5000109.4P202 E203 A240 E242 P243 I244 E248 R249 I250P202-I246 HydrophobicContact CB-CD1 4.13Å; P202-I246 HydrophobicContact CB-CG2 4.3Å; E203-I246 HydrophobicContact CG-CD1 4.09Å; E203-I246 HydrophobicContact CG-CG2 4.49Å; A240-I246 HydrophobicContact CB-CG1 3.81Å; E242-I246 PolarHBondContact O-N 2.96Å; P243-I246 WeakPolarHBondContact O-CB 3.23Å; P243-I246 PolarHBondContact O-N 3.27Å; I244-I246 VanDerWaalsContact C-N 3.35Å; I246-E248 PolarHBondContact O-N 3.31Å; I246-R249 PolarHBondContact O-N 3.48Å; I246-I250 HydrophobicContact CG2-CD1 3.75Å; I246-I250 HydrophobicContact CG2-CG1 4.42Å; I246-I250 WeakPolarHBondContact O-CG1 3.4Å; I246-I250 PolarHBondContact O-N 2.84Å
247Y97.5Very high96.5Very high57 Ų5774.7 Ų74.722%0.22436%0.363CS..Hα-helixtrans-60.5-43.8178.8-61.2-19.4000112.5P202 L205 I210 P243 I244 E245 R249 I250 V251P202-Y247 HydrophobicContact CB-CE1 3.73Å; P202-Y247 HydrophobicContact CG-CE1 4.39Å; L205-Y247 HydrophobicContact CD1-CE1 3.77Å; I210-Y247 HydrophobicContact CD1-CD1 3.81Å; I210-Y247 HydrophobicContact CD1-CG 4.3Å; I210-Y247 HydrophobicContact CG1-CD1 3.97Å; I210-Y247 HydrophobicContact CG1-CG 4.3Å; I210-Y247 HydrophobicContact CG2-CG 4.18Å; P243-Y247 HydrophobicContact CB-CE2 4.4Å; P243-Y247 WeakPolarHBondContact O-CD1 3.19Å; P243-Y247 WeakPolarHBondContact O-CD2 3.38Å; P243-Y247 PolarHBondContact O-N 2.97Å; I244-Y247 HydrophobicContact CD1-CD2 4.3Å; I244-Y247 WeakPolarHBondContact O-CB 3.39Å; I244-Y247 PolarHBondContact O-N 3.23Å; E245-Y247 VanDerWaalsContact C-N 3.33Å; Y247-R249 PolarHBondContact O-N 3.35Å; Y247-I250 PolarHBondContact O-N 2.81Å; Y247-V251 WeakPolarHBondContact O-CG2 3.5Å; Y247-V251 PolarHBondContact O-N 3.33Å
248E97.3Very high96.5Very high113 Ų11375.4 Ų75.453%0.52837%0.368SS..Hα-helixtrans-59.2-46.2175-72.4176.8173.800111.7I244 E245 I246 I250 V251 I252I244-E248 WeakPolarHBondContact O-CG 3.44Å; I244-E248 PolarHBondContact O-N 2.9Å; E245-E248 PolarHBondContact O-N 3.4Å; I246-E248 PolarHBondContact O-N 3.31Å; E248-I250 PolarHBondContact O-N 3.33Å; E248-V251 PolarHBondContact O-N 3.46Å; E248-I252 WeakPolarHBondContact O-CB 3.29Å; E248-I252 WeakPolarHBondContact O-CD1 3.41Å; E248-I252 WeakPolarHBondContact O-CG1 3.46Å; E248-I252 PolarHBondContact O-N 2.82Å
249R97.8Very high96.4Very high107 Ų10780.9 Ų80.940%0.40441%0.406SS..Hα-helixtrans-62.8-41.4178-70.3175.3-169.3-152.82.5112.3F238 F239 E245 I246 Y247 I252 G253F238-R249 HydrophobicContact CB-CB 4.43Å; F238-R249 HydrophobicContact CD1-CB 4.17Å; F239-R249 VanDerWaalsContact O-CZ 3.24Å; F239-R249 PolarHBondContact O-NH1 3.42Å; E245-R249 VanDerWaalsContact O-CG 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.48Å; E245-R249 PolarHBondContact O-N 3.42Å; I246-R249 PolarHBondContact O-N 3.48Å; Y247-R249 PolarHBondContact O-N 3.35Å; R249-I252 PolarHBondContact O-N 2.86Å; R249-G253 PolarHBondContact O-N 3.43Å
250I98.1Very high96.6Very high0 Ų079.8 Ų79.80%040%0.403CS..Hα-helixtrans-62.3-46.3176.4-71.1165.5000110.6P202 P207 I210 W222 F238 I246 Y247 E248 I252 G253P202-I250 VanDerWaalsContact O-CD1 3.28Å; P202-I250 WeakPolarHBondContact O-CD1 3.36Å; P207-I250 HydrophobicContact CB-CG2 4.07Å; I210-I250 HydrophobicContact CD1-CB 3.79Å; I210-I250 HydrophobicContact CD1-CD1 3.76Å; I210-I250 HydrophobicContact CD1-CG1 4.39Å; I210-I250 HydrophobicContact CD1-CG2 3.52Å; W222-I250 HydrophobicContact CH2-CG2 4.31Å; W222-I250 HydrophobicContact CZ2-CG2 3.8Å; F238-I250 HydrophobicContact CB-CD1 4.44Å; F238-I250 HydrophobicContact CB-CG1 3.7Å; F238-I250 HydrophobicContact CD1-CG1 4.27Å; F238-I250 HydrophobicContact CD2-CG1 3.65Å; F238-I250 HydrophobicContact CE2-CG1 4.35Å; F238-I250 HydrophobicContact CG-CG1 3.61Å; I246-I250 HydrophobicContact CG2-CD1 3.75Å; I246-I250 HydrophobicContact CG2-CG1 4.42Å; I246-I250 WeakPolarHBondContact O-CG1 3.4Å; I246-I250 PolarHBondContact O-N 2.84Å; Y247-I250 PolarHBondContact O-N 2.81Å; E248-I250 PolarHBondContact O-N 3.33Å; I250-I252 PolarHBondContact O-N 3.47Å; I250-G253 WeakPolarHBondContact O-CA 3.33Å; I250-G253 PolarHBondContact O-N 3.45Å
251V97Very high96.7Very high60 Ų6079.1 Ų79.136%0.36440%0.396SS..Hα-helixtrans-66.3-37.2179.9169.10000111.9I210 Q211 Y247 E248 G253I210-V251 HydrophobicContact CB-CG2 4.44Å; I210-V251 HydrophobicContact CG2-CG2 3.87Å; Q211-V251 HydrophobicContact CG-CG2 4.05Å; Y247-V251 WeakPolarHBondContact O-CG2 3.5Å; Y247-V251 PolarHBondContact O-N 3.33Å; E248-V251 PolarHBondContact O-N 3.46Å; V251-G253 PolarHBondContact O-N 2.8Å
252I96.6Very high96.9Very high108 Ų10873.4 Ų73.455%0.55437%0.368SS*.Hα-helixtrans-65-30.8172-69.6165.3000111E248 R249 I250 K254E248-I252 WeakPolarHBondContact O-CB 3.29Å; E248-I252 WeakPolarHBondContact O-CD1 3.41Å; E248-I252 WeakPolarHBondContact O-CG1 3.46Å; E248-I252 PolarHBondContact O-N 2.82Å; R249-I252 PolarHBondContact O-N 2.86Å; I250-I252 PolarHBondContact O-N 3.47Å; I252-K254 HydrophobicContact CG2-CB 3.99Å; I252-K254 HydrophobicContact CG2-CD 3.89Å; I252-K254 HydrophobicContact CG2-CG 3.79Å; I252-K254 PolarHBondContact O-N 3.21Å
253G94.1Very high97Very high26 Ų2672.2 Ų72.227%0.26837%0.373SS..THydrogen-bonded Turntrans69.616173.300000114.5R249 I250 V251R249-G253 PolarHBondContact O-N 3.43Å; I250-G253 WeakPolarHBondContact O-CA 3.33Å; I250-G253 PolarHBondContact O-N 3.45Å; V251-G253 PolarHBondContact O-N 2.8Å
254K93.1Very high97.2Very high172 Ų17272.3 Ų72.375%0.74837%0.37SS*.  trans-98.1119179.6-69.3-178.7-176.4177.80110.6I252I252-K254 HydrophobicContact CG2-CB 3.99Å; I252-K254 HydrophobicContact CG2-CD 3.89Å; I252-K254 HydrophobicContact CG2-CG 3.79Å; I252-K254 PolarHBondContact O-N 3.21Å
255Y96.5Very high97.3Very high47 Ų4767.4 Ų67.418%0.18435%0.345CS..  trans-139.5159.8173.262.7-76.6000109.7Y229 P237 F238 F257 L269 I273Y229-Y255 HydrophobicContact CD2-CD2 4.35Å; Y229-Y255 HydrophobicContact CD2-CE2 4.5Å; Y229-Y255 HydrophobicContact CE2-CD2 4.07Å; P237-Y255 HydrophobicContact CB-CD2 4.05Å; P237-Y255 HydrophobicContact CB-CG 4.15Å; F238-Y255 HydrophobicContact CE1-CD1 4.03Å; F238-Y255 HydrophobicContact CE1-CG 4.38Å; F238-Y255 AromaticContact CZ-CD1 3.68Å; F238-Y255 HydrophobicContact CZ-CD1 3.68Å; F238-Y255 HydrophobicContact CZ-CE1 4.39Å; F238-Y255 HydrophobicContact CZ-CG 4.21Å; Y255-F257 HydrophobicContact CD2-CE1 4.34Å; Y255-F257 HydrophobicContact CD2-CZ 4.43Å; Y255-F257 HydrophobicContact CE2-CD1 4.37Å; Y255-F257 AromaticContact CE2-CE1 3.57Å; Y255-F257 HydrophobicContact CE2-CE1 3.57Å; Y255-F257 HydrophobicContact CE2-CE2 4.22Å; Y255-F257 AromaticContact CE2-CZ 3.48Å; Y255-F257 HydrophobicContact CE2-CZ 3.48Å; Y255-F257 VanDerWaalsContact CE2-CZ 3.48Å; Y255-F257 AromaticContact CZ-CZ 3.98Å; Y255-L269 PolarHBondContact OH-O 3.45Å; Y255-I273 HydrophobicContact CE1-CB 4.35Å; Y255-I273 HydrophobicContact CE1-CG2 4Å; Y255-I273 HydrophobicContact CE2-CD1 4.26Å
256K97.1Very high97.4Very high181 Ų18166 Ų6679%0.78734%0.338SS*.  trans-112.5145-178-67.5-178.5-178.8176.60109.9Y229Y229-K256 PolarHBondContact OH-O 2.94Å
257F98.1Very high97.4Very high48 Ų4869.1 Ų69.121%0.21136%0.355CS..  trans-90.1131.8171.4-64.5-69.8000110.4Y229 Y255 F261 K266 L269 R270Y229-F257 HydrophobicContact CE2-CD1 4.28Å; Y255-F257 HydrophobicContact CD2-CE1 4.34Å; Y255-F257 HydrophobicContact CD2-CZ 4.43Å; Y255-F257 HydrophobicContact CE2-CD1 4.37Å; Y255-F257 AromaticContact CE2-CE1 3.57Å; Y255-F257 HydrophobicContact CE2-CE1 3.57Å; Y255-F257 HydrophobicContact CE2-CE2 4.22Å; Y255-F257 AromaticContact CE2-CZ 3.48Å; Y255-F257 HydrophobicContact CE2-CZ 3.48Å; Y255-F257 VanDerWaalsContact CE2-CZ 3.48Å; Y255-F257 AromaticContact CZ-CZ 3.98Å; F257-F261 HydrophobicContact CB-CD2 4.39Å; F257-F261 AromaticContact CD1-CD2 3.7Å; F257-F261 HydrophobicContact CD1-CD2 3.7Å; F257-F261 HydrophobicContact CD1-CE2 4.05Å; F257-F261 HydrophobicContact CG-CD2 4.49Å; F257-K266 HydrophobicContact CB-CD 4.05Å; F257-K266 HydrophobicContact CB-CG 3.95Å; F257-K266 HydrophobicContact CD1-CB 4.42Å; F257-K266 HydrophobicContact CD1-CG 3.89Å; F257-K266 HydrophobicContact CD2-CB 4.22Å; F257-K266 HydrophobicContact CD2-CD 4.28Å; F257-K266 HydrophobicContact CD2-CG 3.95Å; F257-K266 HydrophobicContact CE1-CB 4.4Å; F257-K266 HydrophobicContact CE1-CG 4.35Å; F257-K266 HydrophobicContact CE2-CB 4.21Å; F257-K266 HydrophobicContact CE2-CG 4.42Å; F257-K266 HydrophobicContact CG-CB 4.31Å; F257-K266 HydrophobicContact CG-CD 4.16Å; F257-K266 HydrophobicContact CG-CG 3.65Å; F257-K266 HydrophobicContact CZ-CB 4.29Å; F257-L269 HydrophobicContact CD1-CD1 4.35Å; F257-L269 HydrophobicContact CE1-CB 3.75Å; F257-L269 HydrophobicContact CE1-CD1 3.82Å; F257-L269 HydrophobicContact CE1-CG 4.46Å; F257-L269 HydrophobicContact CZ-CB 4.14Å; F257-R270 HydrophobicContact CE2-CG 3.93Å; F257-R270 HydrophobicContact CZ-CG 3.83Å
258P97.8Very high97.5Very high27 Ų2766.4 Ų66.418%0.17534%0.344CS..  trans-56.3152.4166.7-26.135.9000112.3A233 H260 F261A233-P258 HydrophobicContact CB-CG 4.22Å; P258-H260 VanDerWaalsContact C-N 3.26Å; P258-H260 WeakPolarHBondContact CB-CE1 3.15Å; P258-H260 WeakPolarHBondContact CB-ND1 3.34Å; P258-H260 PolarHBondContact O-N 3.49Å; P258-F261 HydrophobicContact CB-CD1 3.77Å; P258-F261 HydrophobicContact CB-CE1 3.87Å; P258-F261 HydrophobicContact CG-CD1 3.9Å; P258-F261 HydrophobicContact CG-CE1 3.53Å; P258-F261 HydrophobicContact CG-CZ 3.97Å; P258-F261 WeakPolarHBondContact O-CB 3.42Å; P258-F261 PolarHBondContact O-N 3.4Å
259S97.3Very high97.6Very high117 Ų11761 Ų6182%0.81832%0.319SS*.THydrogen-bonded Turntrans-62-34.4-176.554.40000112.7F261S259-F261 PolarHBondContact O-N 3Å
260H97.6Very high97.6Very high79 Ų7961.4 Ų61.437%0.36632%0.32SS..THydrogen-bonded Turntrans-74.9-4.7-178.564.6-86.5000114.7R137 V232 P258R137-H260 PolarHBondContact NH1-CD2 3.48Å; R137-H260 PolarHBondContact NH1-CE1 3.5Å; R137-H260 PolarHBondContact NH1-ND1 3.25Å; R137-H260 PolarHBondContact NH1-NE2 3.22Å; V232-H260 PolarHBondContact O-NE2 3.36Å; V232-H260 VanDerWaalsContact O-NE2 3.08Å; P258-H260 VanDerWaalsContact C-N 3.26Å; P258-H260 WeakPolarHBondContact CB-CE1 3.15Å; P258-H260 WeakPolarHBondContact CB-ND1 3.34Å; P258-H260 PolarHBondContact O-N 3.49Å
261F98.6Very high97.6Very high6 Ų662.8 Ų62.83%0.02633%0.328CS..SBendtrans-73.3132176.1-80.833.4000110.2Y229 V232 A233 F257 P258 S259 L265 K266 L269Y229-F261 AromaticContact CD2-CE2 3.84Å; Y229-F261 HydrophobicContact CD2-CE2 3.84Å; Y229-F261 HydrophobicContact CD2-CZ 4.25Å; Y229-F261 HydrophobicContact CE2-CE2 4Å; Y229-F261 HydrophobicContact CE2-CZ 4.28Å; Y229-F261 HydrophobicContact CG-CE2 4.42Å; V232-F261 HydrophobicContact CB-CE1 3.92Å; V232-F261 HydrophobicContact CB-CZ 3.92Å; V232-F261 HydrophobicContact CG1-CD1 3.9Å; V232-F261 HydrophobicContact CG1-CE1 3.55Å; V232-F261 HydrophobicContact CG1-CZ 4.04Å; A233-F261 HydrophobicContact CB-CE1 4.18Å; A233-F261 HydrophobicContact CB-CZ 3.88Å; F257-F261 HydrophobicContact CB-CD2 4.39Å; F257-F261 AromaticContact CD1-CD2 3.7Å; F257-F261 HydrophobicContact CD1-CD2 3.7Å; F257-F261 HydrophobicContact CD1-CE2 4.05Å; F257-F261 HydrophobicContact CG-CD2 4.49Å; P258-F261 HydrophobicContact CB-CD1 3.77Å; P258-F261 HydrophobicContact CB-CE1 3.87Å; P258-F261 HydrophobicContact CG-CD1 3.9Å; P258-F261 HydrophobicContact CG-CE1 3.53Å; P258-F261 HydrophobicContact CG-CZ 3.97Å; P258-F261 WeakPolarHBondContact O-CB 3.42Å; P258-F261 PolarHBondContact O-N 3.4Å; S259-F261 PolarHBondContact O-N 3Å; F261-L265 HydrophobicContact CB-CD2 4.19Å; F261-L265 HydrophobicContact CD1-CD2 4.25Å; F261-L265 HydrophobicContact CD2-CD2 3.52Å; F261-L265 HydrophobicContact CD2-CG 3.89Å; F261-L265 HydrophobicContact CE2-CD2 3.86Å; F261-L265 HydrophobicContact CE2-CG 4.34Å; F261-L265 HydrophobicContact CG-CD2 3.72Å; F261-L265 HydrophobicContact CG-CG 4.43Å; F261-L265 HydrophobicContact CZ-CD2 4.34Å; F261-K266 HydrophobicContact CB-CD 4.36Å; F261-K266 VanDerWaalsContact CB-CE 3.47Å; F261-K266 HydrophobicContact CB-CG 3.92Å; F261-K266 WeakPolarHBondContact O-CE 3.29Å; F261-K266 PolarHBondContact O-NZ 2.93Å; F261-L269 HydrophobicContact CD2-CD1 4.03Å; F261-L269 HydrophobicContact CE2-CD1 3.64Å
262S98.5Very high97.7Very high40 Ų4060 Ų6028%0.2831%0.31SS..  trans-62.8157.6173.269.50000112.2E140 D264 L265 K266E140-S262 WeakPolarHBondContact OE1-CB 3.25Å; E140-S262 PolarHBondContact OE1-N 3.21Å; E140-S262 PolarHBondContact OE1-OG 3Å; E140-S262 WeakPolarHBondContact OE2-CB 3.38Å; E140-S262 PolarHBondContact OE2-OG 2.91Å; S262-D264 PolarHBondContact O-N 3.42Å; S262-L265 PolarHBondContact O-N 3.18Å; S262-L265 VanDerWaalsContact OG-CB 3.27Å; S262-L265 WeakPolarHBondContact OG-CB 3.29Å; S262-L265 PolarHBondContact OG-N 3.48Å; S262-L265 VanDerWaalsContact OG-N 3.08Å; S262-K266 VanDerWaalsContact O-CG 3.3Å; S262-K266 WeakPolarHBondContact O-CG 3.41Å; S262-K266 PolarHBondContact O-N 3.38Å; S262-K266 VanDerWaalsContact O-N 3.07Å
263S98.5Very high97.8Very high90 Ų9055.1 Ų55.163%0.62929%0.286SS*.Hα-helixtrans-57.6-42174.750.80000111.7K266 D267S263-K266 PolarHBondContact O-N 3.01Å; S263-D267 PolarHBondContact O-N 3.13Å
264D98.6Very high98Very high56 Ų5655.5 Ų55.530%0.29928%0.28SS..Hα-helixtrans-69.2-39.2-178.1-65.5-5.3000111.1S262 D267 L268 H294 K295 W296S262-D264 PolarHBondContact O-N 3.42Å; D264-D267 PolarHBondContact O-N 3.46Å; D264-L268 PolarHBondContact O-N 3.37Å; D264-H294 PolarHBondContact O-CE1 3.37Å; D264-K295 HydrophobicContact CB-CB 4.44Å; D264-W296 HydrophobicContact CB-CB 4.07Å
265L98.7Very high98.1Very high0 Ų049.8 Ų49.80%026%0.262CS..Hα-helixtrans-62.3-46.4173.8177.756.8000111.3E140 I228 V232 F261 S262 D267 L268 L269 W296E140-L265 HydrophobicContact CG-CD2 3.92Å; E140-L265 WeakPolarHBondContact OE1-CD2 3.02Å; I228-L265 HydrophobicContact CG2-CD1 3.63Å; V232-L265 HydrophobicContact CB-CD2 4.05Å; V232-L265 HydrophobicContact CG1-CD2 3.75Å; V232-L265 HydrophobicContact CG2-CD2 4.01Å; F261-L265 HydrophobicContact CB-CD2 4.19Å; F261-L265 HydrophobicContact CD1-CD2 4.25Å; F261-L265 HydrophobicContact CD2-CD2 3.52Å; F261-L265 HydrophobicContact CD2-CG 3.89Å; F261-L265 HydrophobicContact CE2-CD2 3.86Å; F261-L265 HydrophobicContact CE2-CG 4.34Å; F261-L265 HydrophobicContact CG-CD2 3.72Å; F261-L265 HydrophobicContact CG-CG 4.43Å; F261-L265 HydrophobicContact CZ-CD2 4.34Å; S262-L265 PolarHBondContact O-N 3.18Å; S262-L265 VanDerWaalsContact OG-CB 3.27Å; S262-L265 WeakPolarHBondContact OG-CB 3.29Å; S262-L265 PolarHBondContact OG-N 3.48Å; S262-L265 VanDerWaalsContact OG-N 3.08Å; L265-D267 VanDerWaalsContact C-N 3.27Å; L265-D267 PolarHBondContact O-N 2.94Å; L265-L268 PolarHBondContact O-N 2.8Å; L265-L269 HydrophobicContact CD1-CD1 3.68Å; L265-L269 HydrophobicContact CD1-CD2 4.47Å; L265-L269 HydrophobicContact CD1-CG 3.83Å; L265-L269 HydrophobicContact CD2-CD1 4.49Å; L265-L269 HydrophobicContact CG-CD1 3.79Å; L265-L269 HydrophobicContact CG-CG 4.34Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.03Å; L265-W296 HydrophobicContact CD1-CD2 4.29Å; L265-W296 HydrophobicContact CD1-CH2 4.48Å; L265-W296 HydrophobicContact CD1-CZ2 3.88Å
266K98.8Very high98.1Very high47 Ų4750.7 Ų50.720%0.20427%0.27CS..Hα-helixtrans-59.1-41.7177.9-67.1173.3-175.6161.70111F257 F261 S262 S263 R270F257-K266 HydrophobicContact CB-CD 4.05Å; F257-K266 HydrophobicContact CB-CG 3.95Å; F257-K266 HydrophobicContact CD1-CB 4.42Å; F257-K266 HydrophobicContact CD1-CG 3.89Å; F257-K266 HydrophobicContact CD2-CB 4.22Å; F257-K266 HydrophobicContact CD2-CD 4.28Å; F257-K266 HydrophobicContact CD2-CG 3.95Å; F257-K266 HydrophobicContact CE1-CB 4.4Å; F257-K266 HydrophobicContact CE1-CG 4.35Å; F257-K266 HydrophobicContact CE2-CB 4.21Å; F257-K266 HydrophobicContact CE2-CG 4.42Å; F257-K266 HydrophobicContact CG-CB 4.31Å; F257-K266 HydrophobicContact CG-CD 4.16Å; F257-K266 HydrophobicContact CG-CG 3.65Å; F257-K266 HydrophobicContact CZ-CB 4.29Å; F261-K266 HydrophobicContact CB-CD 4.36Å; F261-K266 VanDerWaalsContact CB-CE 3.47Å; F261-K266 HydrophobicContact CB-CG 3.92Å; F261-K266 WeakPolarHBondContact O-CE 3.29Å; F261-K266 PolarHBondContact O-NZ 2.93Å; S262-K266 VanDerWaalsContact O-CG 3.3Å; S262-K266 WeakPolarHBondContact O-CG 3.41Å; S262-K266 PolarHBondContact O-N 3.38Å; S262-K266 VanDerWaalsContact O-N 3.07Å; S263-K266 PolarHBondContact O-N 3.01Å; K266-R270 VanDerWaalsContact O-CG 3.31Å; K266-R270 WeakPolarHBondContact O-CG 3.4Å; K266-R270 PolarHBondContact O-N 3.48Å; K266-R270 VanDerWaalsContact O-N 3.08Å; K266-R270 PolarHBondContact O-NH1 3.21Å
267D98.7Very high98.1Very high71 Ų7145 Ų4538%0.3825%0.248SC..Hα-helixtrans-64.9-48178.2-16455.1000112.1S263 D264 L265 L269 R270 N271 H294S263-D267 PolarHBondContact O-N 3.13Å; D264-D267 PolarHBondContact O-N 3.46Å; L265-D267 VanDerWaalsContact C-N 3.27Å; L265-D267 PolarHBondContact O-N 2.94Å; D267-L269 VanDerWaalsContact C-N 3.34Å; D267-L269 PolarHBondContact O-N 3.08Å; D267-R270 PolarHBondContact O-N 2.68Å; D267-N271 PolarHBondContact O-N 3.38Å; D267-N271 PolarHBondContact O-ND2 2.96Å; D267-H294 IonicContact OD2-NE2 2.68Å; D267-H294 PolarHBondContact OD2-NE2 2.98Å; D267-H294 VanDerWaalsContact OD2-NE2 3.16Å
268L98.8Very high98Very high0 Ų047.9 Ų47.90%027%0.27CS..Hα-helixtrans-55.2-49.8175.3179.761.7000111.4I228 D264 L265 R270 N271 L272 F281 I291 H294 W296 F297I228-L268 HydrophobicContact CD1-CD2 4.31Å; D264-L268 PolarHBondContact O-N 3.37Å; L265-L268 PolarHBondContact O-N 2.8Å; L268-R270 PolarHBondContact O-N 3.18Å; L268-N271 PolarHBondContact O-N 2.98Å; L268-N271 VanDerWaalsContact O-N 3.08Å; L268-L272 HydrophobicContact CD1-CD1 3.87Å; L268-L272 HydrophobicContact CD1-CG 4.15Å; L268-L272 HydrophobicContact CD2-CD1 4.32Å; L268-L272 HydrophobicContact CG-CD1 3.81Å; L268-L272 HydrophobicContact CG-CG 4.4Å; L268-L272 PolarHBondContact O-N 3.49Å; L268-F281 HydrophobicContact CD1-CD2 4.48Å; L268-I291 HydrophobicContact CD1-CG2 4.43Å; L268-H294 HydrophobicContact CD1-CB 4.07Å; L268-W296 HydrophobicContact CB-CB 4.35Å; L268-W296 HydrophobicContact CD2-CB 4.11Å; L268-W296 HydrophobicContact CD2-CD2 3.92Å; L268-W296 HydrophobicContact CD2-CE3 3.4Å; L268-W296 VanDerWaalsContact CD2-CE3 3.4Å; L268-W296 HydrophobicContact CD2-CG 4.24Å; L268-W296 HydrophobicContact CD2-CZ3 4.06Å; L268-F297 HydrophobicContact CD1-CE2 4.45Å; L268-F297 HydrophobicContact CD2-CD2 4.3Å; L268-F297 HydrophobicContact CD2-CE2 3.66Å; L268-F297 HydrophobicContact CD2-CZ 4.3Å
269L98.8Very high98Very high0 Ų053.4 Ų53.40%029%0.287CS..Hα-helixtrans-66.3-34.1-176-70.2175.2000112.8G225 I228 Y229 Y255 F257 F261 L265 D267 N271 L272 I273G225-L269 WeakPolarHBondContact O-CD2 3.5Å; I228-L269 HydrophobicContact CB-CD2 4Å; I228-L269 HydrophobicContact CG2-CD2 3.91Å; Y229-L269 HydrophobicContact CD2-CD1 4.02Å; Y255-L269 PolarHBondContact OH-O 3.45Å; F257-L269 HydrophobicContact CD1-CD1 4.35Å; F257-L269 HydrophobicContact CE1-CB 3.75Å; F257-L269 HydrophobicContact CE1-CD1 3.82Å; F257-L269 HydrophobicContact CE1-CG 4.46Å; F257-L269 HydrophobicContact CZ-CB 4.14Å; F261-L269 HydrophobicContact CD2-CD1 4.03Å; F261-L269 HydrophobicContact CE2-CD1 3.64Å; L265-L269 HydrophobicContact CD1-CD1 3.68Å; L265-L269 HydrophobicContact CD1-CD2 4.47Å; L265-L269 HydrophobicContact CD1-CG 3.83Å; L265-L269 HydrophobicContact CD2-CD1 4.49Å; L265-L269 HydrophobicContact CG-CD1 3.79Å; L265-L269 HydrophobicContact CG-CG 4.34Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.03Å; D267-L269 VanDerWaalsContact C-N 3.34Å; D267-L269 PolarHBondContact O-N 3.08Å; L269-N271 PolarHBondContact O-N 3.02Å; L269-L272 PolarHBondContact O-N 3.08Å; L269-I273 HydrophobicContact CD2-CD1 4.2Å; L269-I273 WeakPolarHBondContact O-CB 3.22Å; L269-I273 PolarHBondContact O-N 3.29Å
270R98.5Very high98Very high114 Ų11447.8 Ų47.843%0.4325%0.248SC..Hα-helixtrans-64.7-26.9173.1-75.1-176.6-163.3102.7-2.6113F257 K266 D267 L268 Q274F257-R270 HydrophobicContact CE2-CG 3.93Å; F257-R270 HydrophobicContact CZ-CG 3.83Å; K266-R270 VanDerWaalsContact O-CG 3.31Å; K266-R270 WeakPolarHBondContact O-CG 3.4Å; K266-R270 PolarHBondContact O-N 3.48Å; K266-R270 VanDerWaalsContact O-N 3.08Å; K266-R270 PolarHBondContact O-NH1 3.21Å; D267-R270 PolarHBondContact O-N 2.68Å; L268-R270 PolarHBondContact O-N 3.18Å; R270-Q274 PolarHBondContact O-NE2 2.79Å
271N98.5Very high98.1Very high29 Ų2945.6 Ų45.616%0.15524%0.237CC..Hα-helixtrans-92.5-23.7-180-70.1-68.8000112.8D267 L268 L269 Q274 R280 F281D267-N271 PolarHBondContact O-N 3.38Å; D267-N271 PolarHBondContact O-ND2 2.96Å; L268-N271 PolarHBondContact O-N 2.98Å; L268-N271 VanDerWaalsContact O-N 3.08Å; L269-N271 PolarHBondContact O-N 3.02Å; N271-Q274 WeakPolarHBondContact O-CB 3.42Å; N271-R280 CarbonylContact O-C 3.57Å; N271-R280 WeakPolarHBondContact O-CA 3.38Å; N271-F281 HydrophobicContact CB-CB 4.33Å; N271-F281 HydrophobicContact CB-CD1 3.62Å; N271-F281 HydrophobicContact CB-CD2 3.52Å; N271-F281 HydrophobicContact CB-CE1 3.67Å; N271-F281 HydrophobicContact CB-CE2 3.57Å; N271-F281 HydrophobicContact CB-CG 3.54Å; N271-F281 HydrophobicContact CB-CZ 3.65Å; N271-F281 VanDerWaalsContact CG-CZ 3.48Å; N271-F281 PolarHBondContact O-N 3.34Å
272L98.6Very high98Very high1 Ų146 Ų461%0.00524%0.243CC..Hα-helixtrans-86-50.4172.4-71.6174.4000112.9W221 I228 L268 L269 Q274 F281 I291W221-L272 HydrophobicContact CB-CD2 4.33Å; I228-L272 HydrophobicContact CD1-CD1 3.97Å; L268-L272 HydrophobicContact CD1-CD1 3.87Å; L268-L272 HydrophobicContact CD1-CG 4.15Å; L268-L272 HydrophobicContact CD2-CD1 4.32Å; L268-L272 HydrophobicContact CG-CD1 3.81Å; L268-L272 HydrophobicContact CG-CG 4.4Å; L268-L272 PolarHBondContact O-N 3.49Å; L269-L272 PolarHBondContact O-N 3.08Å; L272-Q274 PolarHBondContact O-N 2.62Å; L272-F281 HydrophobicContact CD2-CB 4.21Å; L272-I291 HydrophobicContact CD2-CD1 3.65Å; L272-I291 HydrophobicContact CD2-CG1 3.85Å; L272-I291 HydrophobicContact CD2-CG2 4.46Å
273I98.5Very high97.8Very high6 Ų647 Ų473%0.03125%0.245CC..SBendtrans-83.856.9176.9-47.3174.4000108.2W222 P237 F238 Y255 L269W222-I273 HydrophobicContact CD2-CG2 4.32Å; W222-I273 HydrophobicContact CE3-CG2 4.16Å; W222-I273 HydrophobicContact CH2-CG2 3.59Å; W222-I273 HydrophobicContact CZ2-CG2 3.76Å; W222-I273 HydrophobicContact CZ3-CG2 3.8Å; P237-I273 HydrophobicContact CG-CD1 4.09Å; F238-I273 HydrophobicContact CE2-CG2 3.73Å; F238-I273 HydrophobicContact CZ-CG2 4.01Å; Y255-I273 HydrophobicContact CE1-CB 4.35Å; Y255-I273 HydrophobicContact CE1-CG2 4Å; Y255-I273 HydrophobicContact CE2-CD1 4.26Å; L269-I273 HydrophobicContact CD2-CD1 4.2Å; L269-I273 WeakPolarHBondContact O-CB 3.22Å; L269-I273 PolarHBondContact O-N 3.29Å
274Q98Very high97.7Very high34 Ų3445.4 Ų45.416%0.15923%0.229CC..  trans-112.4117.8-173.1-178.351.1-107.700109.7R270 N271 L272 D276 R279 R280R270-Q274 PolarHBondContact O-NE2 2.79Å; N271-Q274 WeakPolarHBondContact O-CB 3.42Å; L272-Q274 PolarHBondContact O-N 2.62Å; Q274-D276 WeakPolarHBondContact CG-O 3.23Å; Q274-R279 HydrophobicContact CG-CB 3.79Å; Q274-R280 HydrophobicContact CB-CB 4.02Å; Q274-R280 HydrophobicContact CB-CG 4.2Å; Q274-R280 HydrophobicContact CG-CB 4.34Å; Q274-R280 VanDerWaalsContact O-CZ 3.29Å; Q274-R280 PolarHBondContact O-NE 3.46Å; Q274-R280 PolarHBondContact O-NH2 3.37Å
275S96.3Very high97.4Very high52 Ų5254.5 Ų54.536%0.36426%0.259SS..SBendtrans-70.9-34.1-178-63.90000112.1L277S275-L277 PolarHBondContact O-N 2.79Å
276D96.2Very high97.2Very high67 Ų6759.4 Ų59.436%0.35829%0.286SS..  trans-76.5107.8174.3-176.7-5.1000110.8Q274 T278 R279 R280Q274-D276 WeakPolarHBondContact CG-O 3.23Å; D276-T278 PolarHBondContact O-N 2.86Å; D276-T278 VanDerWaalsContact O-N 3.14Å; D276-T278 WeakPolarHBondContact OD1-CB 3.41Å; D276-T278 PolarHBondContact OD1-N 3.3Å; D276-T278 PolarHBondContact OD1-OG1 2.75Å; D276-T278 PolarHBondContact OD2-OG1 2.79Å; D276-T278 VanDerWaalsContact OD2-OG1 3.13Å; D276-R279 HydrophobicContact CB-CB 4.3Å; D276-R279 HydrophobicContact CB-CG 4.35Å; D276-R279 CarbonylContact O-C 3.6Å; D276-R279 PolarHBondContact O-N 2.89Å; D276-R279 VanDerWaalsContact OD2-CD 3.26Å; D276-R279 WeakPolarHBondContact OD2-CD 3.37Å; D276-R280 PolarHBondContact O-N 3.35Å; D276-R280 VanDerWaalsContact O-N 3.09Å
277L96.5Very high97Very high62 Ų6258.1 Ų58.133%0.32529%0.285SS..THydrogen-bonded Turntrans-57-28.5178.9-66.4179.6000113A218 S275 R279 N283A218-L277 HydrophobicContact CB-CD2 4.11Å; S275-L277 PolarHBondContact O-N 2.79Å; L277-R279 PolarHBondContact O-N 3.08Å; L277-N283 PolarHBondContact O-ND2 3.48Å
278T96.1Very high96.8Very high107 Ų10755.8 Ų55.866%0.65627%0.274SS*.THydrogen-bonded Turntrans-74-7178.371.80000113.3D276 L284D276-T278 PolarHBondContact O-N 2.86Å; D276-T278 VanDerWaalsContact O-N 3.14Å; D276-T278 WeakPolarHBondContact OD1-CB 3.41Å; D276-T278 PolarHBondContact OD1-N 3.3Å; D276-T278 PolarHBondContact OD1-OG1 2.75Å; D276-T278 PolarHBondContact OD2-OG1 2.79Å; D276-T278 VanDerWaalsContact OD2-OG1 3.13Å; T278-L284 VanDerWaalsContact C-CD2 3.45Å; T278-L284 WeakPolarHBondContact O-CD2 3.31Å
279R97.6Very high96.7Very high143 Ų14359.8 Ų59.854%0.5429%0.292SS..THydrogen-bonded Turntrans-122.5-7.2-180-61.9177.162.5-167.5-0.9113Q274 D276 L277 F281Q274-R279 HydrophobicContact CG-CB 3.79Å; D276-R279 HydrophobicContact CB-CB 4.3Å; D276-R279 HydrophobicContact CB-CG 4.35Å; D276-R279 CarbonylContact O-C 3.6Å; D276-R279 PolarHBondContact O-N 2.89Å; D276-R279 VanDerWaalsContact OD2-CD 3.26Å; D276-R279 WeakPolarHBondContact OD2-CD 3.37Å; L277-R279 PolarHBondContact O-N 3.08Å; R279-F281 PolarHBondContact O-N 2.92Å
280R98.4Very high96.6Very high0 Ų060.8 Ų60.80%030%0.298CS..  trans-75.1121.6-179.2-169.5-176.3-62.81665.2111E208 A218 N271 Q274 D276 N283 L284E208-R280 IonicContact OE1-CZ 3.73Å; E208-R280 IonicContact OE1-NH1 3.68Å; E208-R280 PolarHBondContact OE1-NH1 3.31Å; E208-R280 IonicContact OE1-NH2 2.86Å; E208-R280 PolarHBondContact OE1-NH2 3.03Å; E208-R280 IonicContact OE2-CZ 3.39Å; E208-R280 IonicContact OE2-NH1 2.64Å; E208-R280 IonicContact OE2-NH2 3.46Å; E208-R280 PolarHBondContact OE2-NH2 3.01Å; A218-R280 PolarHBondContact O-NH1 2.6Å; N271-R280 CarbonylContact O-C 3.57Å; N271-R280 WeakPolarHBondContact O-CA 3.38Å; Q274-R280 HydrophobicContact CB-CB 4.02Å; Q274-R280 HydrophobicContact CB-CG 4.2Å; Q274-R280 HydrophobicContact CG-CB 4.34Å; Q274-R280 VanDerWaalsContact O-CZ 3.29Å; Q274-R280 PolarHBondContact O-NE 3.46Å; Q274-R280 PolarHBondContact O-NH2 3.37Å; D276-R280 PolarHBondContact O-N 3.35Å; D276-R280 VanDerWaalsContact O-N 3.09Å; R280-N283 HydrophobicContact CB-CB 4.43Å; R280-N283 WeakPolarHBondContact O-CB 3.49Å; R280-N283 PolarHBondContact O-N 2.93Å; R280-L284 WeakPolarHBondContact O-CG 3.5Å; R280-L284 PolarHBondContact O-N 2.91Å
281F98.3Very high96.6Very high33 Ų3355.4 Ų55.415%0.14528%0.278CS..THydrogen-bonded Turntrans-58143.5171.6-76.56.1000110.9L268 N271 L272 R279 N283 L284 D290 I291 H294L268-F281 HydrophobicContact CD1-CD2 4.48Å; N271-F281 HydrophobicContact CB-CB 4.33Å; N271-F281 HydrophobicContact CB-CD1 3.62Å; N271-F281 HydrophobicContact CB-CD2 3.52Å; N271-F281 HydrophobicContact CB-CE1 3.67Å; N271-F281 HydrophobicContact CB-CE2 3.57Å; N271-F281 HydrophobicContact CB-CG 3.54Å; N271-F281 HydrophobicContact CB-CZ 3.65Å; N271-F281 VanDerWaalsContact CG-CZ 3.48Å; N271-F281 PolarHBondContact O-N 3.34Å; L272-F281 HydrophobicContact CD2-CB 4.21Å; R279-F281 PolarHBondContact O-N 2.92Å; F281-N283 PolarHBondContact O-N 3.24Å; F281-L284 HydrophobicContact CD1-CD1 3.77Å; F281-L284 HydrophobicContact CE1-CD1 4.06Å; F281-D290 HydrophobicContact CB-CB 4.17Å; F281-D290 HydrophobicContact CD1-CB 3.97Å; F281-D290 HydrophobicContact CD2-CB 4.27Å; F281-D290 VanDerWaalsContact CD2-O 3.31Å; F281-D290 WeakPolarHBondContact CD2-O 3.42Å; F281-D290 HydrophobicContact CE1-CB 4.44Å; F281-D290 WeakPolarHBondContact CE2-O 3.37Å; F281-D290 HydrophobicContact CG-CB 3.88Å; F281-I291 HydrophobicContact CB-CG1 3.79Å; F281-H294 AromaticContact CE2-CD2 3.77Å
282G96.6Very high96.5Very high13 Ų1354.7 Ų54.713%0.13427%0.273CS..THydrogen-bonded Turntrans87.4-19.4-168.800000114G287G282-G287 VanDerWaalsContact CA-O 3.27Å; G282-G287 WeakPolarHBondContact CA-O 3.49Å; G282-G287 PolarHBondContact N-O 2.77Å
283N96Very high96.4Very high63 Ų6359 Ų5934%0.33730%0.303SS..SBendtrans-114.9-1.4177.6-165.267.4000113.8A218 L277 R280 F281A218-N283 HydrophobicContact CB-CB 4.01Å; L277-N283 PolarHBondContact O-ND2 3.48Å; R280-N283 HydrophobicContact CB-CB 4.43Å; R280-N283 WeakPolarHBondContact O-CB 3.49Å; R280-N283 PolarHBondContact O-N 2.93Å; F281-N283 PolarHBondContact O-N 3.24Å
284L94.9Very high96.4Very high55 Ų5559.4 Ų59.429%0.28831%0.305SS..SBendtrans-82.8-176.8173.5-39.6178.2000111T278 R280 F281 N286 G287 D290T278-L284 VanDerWaalsContact C-CD2 3.45Å; T278-L284 WeakPolarHBondContact O-CD2 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.5Å; R280-L284 PolarHBondContact O-N 2.91Å; F281-L284 HydrophobicContact CD1-CD1 3.77Å; F281-L284 HydrophobicContact CE1-CD1 4.06Å; L284-N286 VanDerWaalsContact C-N 3.27Å; L284-N286 PolarHBondContact O-N 3.48Å; L284-G287 PolarHBondContact O-N 2.94Å; L284-D290 WeakPolarHBondContact CB-OD2 3.38Å
285R93.2Very high96.4Very high247 Ų24764.7 Ų64.793%0.93233%0.327SS*.THydrogen-bonded Turntrans-57.7-33.7-176.4-174.6177.9177.3-176.4-0.4114G287R285-G287 VanDerWaalsContact C-N 3.34Å
286N93.4Very high96.5Very high104 Ų10462.3 Ų62.356%0.55631%0.311SS*.THydrogen-bonded Turntrans-90.6-0.2178.5-45.4-50000112.7L284 V288 Q289 D290L284-N286 VanDerWaalsContact C-N 3.27Å; L284-N286 PolarHBondContact O-N 3.48Å; N286-V288 PolarHBondContact O-N 3.39Å; N286-Q289 HydrophobicContact CB-CB 4.13Å; N286-Q289 WeakPolarHBondContact O-CB 3.41Å; N286-Q289 PolarHBondContact O-N 2.83Å; N286-D290 WeakPolarHBondContact CB-OD1 3.36Å; N286-D290 PolarHBondContact ND2-OD1 3.04Å
287G94.7Very high96.6Very high19 Ų1959.3 Ų59.320%0.19629%0.294CS..THydrogen-bonded Turntrans54.3-128.5177.800000112.5G282 L284 R285 Q289 D290G282-G287 VanDerWaalsContact CA-O 3.27Å; G282-G287 WeakPolarHBondContact CA-O 3.49Å; G282-G287 PolarHBondContact N-O 2.77Å; L284-G287 PolarHBondContact O-N 2.94Å; R285-G287 VanDerWaalsContact C-N 3.34Å; G287-Q289 PolarHBondContact O-N 3.47Å; G287-Q289 VanDerWaalsContact O-N 3.16Å; G287-D290 PolarHBondContact N-OD2 3.49Å; G287-D290 PolarHBondContact O-N 2.84Å
288V96Very high96.5Very high23 Ų2359.9 Ų59.914%0.13930%0.303CS..THydrogen-bonded Turntrans-61.1-21.8-179.568.40000113.4I151 E155 W221 N286 D290 I291 K292I151-V288 HydrophobicContact CG2-CG2 3.85Å; E155-V288 HydrophobicContact CB-CG2 4.26Å; E155-V288 HydrophobicContact CG-CG1 4.01Å; E155-V288 HydrophobicContact CG-CG2 4.44Å; E155-V288 VanDerWaalsContact OE1-CG1 3.24Å; E155-V288 WeakPolarHBondContact OE1-CG1 3.43Å; W221-V288 HydrophobicContact CH2-CB 4.22Å; W221-V288 HydrophobicContact CH2-CG2 3.52Å; W221-V288 HydrophobicContact CZ2-CB 4.01Å; W221-V288 HydrophobicContact CZ2-CG2 3.84Å; W221-V288 HydrophobicContact CZ3-CG2 4.28Å; N286-V288 PolarHBondContact O-N 3.39Å; V288-D290 VanDerWaalsContact C-N 3.25Å; V288-D290 PolarHBondContact O-N 2.9Å; V288-I291 WeakPolarHBondContact O-CA 3.22Å; V288-I291 WeakPolarHBondContact O-CB 3.32Å; V288-I291 PolarHBondContact O-N 3.19Å; V288-K292 HydrophobicContact CG1-CD 4.34Å; V288-K292 HydrophobicContact CG2-CD 3.87Å; V288-K292 HydrophobicContact CG2-CG 4.12Å; V288-K292 PolarHBondContact O-N 2.98Å
289Q95.8Very high96.3Very high84 Ų8462.7 Ų62.739%0.39331%0.309SS..Hα-helixtrans-67.3-27.4178.7-63.1-60.2-34.200112.4N286 G287 I291 K292 S293N286-Q289 HydrophobicContact CB-CB 4.13Å; N286-Q289 WeakPolarHBondContact O-CB 3.41Å; N286-Q289 PolarHBondContact O-N 2.83Å; G287-Q289 PolarHBondContact O-N 3.47Å; G287-Q289 VanDerWaalsContact O-N 3.16Å; Q289-I291 PolarHBondContact O-N 2.91Å; Q289-K292 PolarHBondContact O-N 3.35Å; Q289-S293 VanDerWaalsContact O-CB 3.24Å; Q289-S293 WeakPolarHBondContact O-CB 3.41Å; Q289-S293 PolarHBondContact O-N 2.8Å; Q289-S293 PolarHBondContact O-OG 3.08Å
290D97.1Very high96.1Very high21 Ų2157.2 Ų57.211%0.11229%0.29CS..Hα-helixtrans-62.5-27.6172-62.3-48.2000111.5F281 L284 N286 G287 V288F281-D290 HydrophobicContact CB-CB 4.17Å; F281-D290 HydrophobicContact CD1-CB 3.97Å; F281-D290 HydrophobicContact CD2-CB 4.27Å; F281-D290 VanDerWaalsContact CD2-O 3.31Å; F281-D290 WeakPolarHBondContact CD2-O 3.42Å; F281-D290 HydrophobicContact CE1-CB 4.44Å; F281-D290 WeakPolarHBondContact CE2-O 3.37Å; F281-D290 HydrophobicContact CG-CB 3.88Å; L284-D290 WeakPolarHBondContact CB-OD2 3.38Å; N286-D290 WeakPolarHBondContact CB-OD1 3.36Å; N286-D290 PolarHBondContact ND2-OD1 3.04Å; G287-D290 PolarHBondContact N-OD2 3.49Å; G287-D290 PolarHBondContact O-N 2.84Å; V288-D290 VanDerWaalsContact C-N 3.25Å; V288-D290 PolarHBondContact O-N 2.9Å
291I98.2Very high95.9Very high1 Ų160.1 Ų60.11%0.00531%0.306CS..Hα-helixtrans-82.9-53174.6-51.5172.9000110I151 W221 L268 L272 F281 V288 Q289 S293 H294 F297I151-I291 HydrophobicContact CD1-CG2 3.64Å; I151-I291 HydrophobicContact CG1-CG2 4.26Å; W221-I291 HydrophobicContact CB-CD1 4.43Å; W221-I291 HydrophobicContact CD2-CD1 3.53Å; W221-I291 HydrophobicContact CE3-CD1 3.35Å; W221-I291 HydrophobicContact CG-CD1 4.02Å; W221-I291 HydrophobicContact CH2-CD1 4.42Å; W221-I291 HydrophobicContact CZ3-CD1 3.83Å; L268-I291 HydrophobicContact CD1-CG2 4.43Å; L272-I291 HydrophobicContact CD2-CD1 3.65Å; L272-I291 HydrophobicContact CD2-CG1 3.85Å; L272-I291 HydrophobicContact CD2-CG2 4.46Å; F281-I291 HydrophobicContact CB-CG1 3.79Å; V288-I291 WeakPolarHBondContact O-CA 3.22Å; V288-I291 WeakPolarHBondContact O-CB 3.32Å; V288-I291 PolarHBondContact O-N 3.19Å; Q289-I291 PolarHBondContact O-N 2.91Å; I291-S293 VanDerWaalsContact C-N 3.29Å; I291-S293 PolarHBondContact O-N 2.85Å; I291-H294 WeakPolarHBondContact O-CB 3.39Å; I291-H294 PolarHBondContact O-N 3.04Å; I291-H294 VanDerWaalsContact O-N 3.15Å; I291-F297 HydrophobicContact CG2-CE2 4.02Å; I291-F297 WeakPolarHBondContact O-CD2 3.39Å
292K97Very high95.8Very high13 Ų1360 Ų606%0.05730%0.304CS..Hα-helixtrans-65.2-30.3-172.7-68.6172.669.7168.90113.7I151 E155 V288 Q289 W302I151-K292 HydrophobicContact CG2-CD 4.41Å; I151-K292 HydrophobicContact CG2-CG 3.99Å; E155-K292 VanDerWaalsContact CD-NZ 3.3Å; E155-K292 IonicContact OE1-NZ 3.16Å; E155-K292 PolarHBondContact OE1-NZ 2.96Å; E155-K292 IonicContact OE2-NZ 3.04Å; E155-K292 PolarHBondContact OE2-NZ 3.19Å; V288-K292 HydrophobicContact CG1-CD 4.34Å; V288-K292 HydrophobicContact CG2-CD 3.87Å; V288-K292 HydrophobicContact CG2-CG 4.12Å; V288-K292 PolarHBondContact O-N 2.98Å; Q289-K292 PolarHBondContact O-N 3.35Å; K292-W302 VanDerWaalsContact CA-CZ2 3.47Å; K292-W302 HydrophobicContact CB-CD2 4.34Å; K292-W302 HydrophobicContact CB-CH2 4.34Å; K292-W302 HydrophobicContact CB-CZ2 3.7Å; K292-W302 HydrophobicContact CD-CD2 4.41Å; K292-W302 HydrophobicContact CD-CE3 4.4Å; K292-W302 HydrophobicContact CG-CD2 4.08Å; K292-W302 HydrophobicContact CG-CE3 4.19Å; K292-W302 HydrophobicContact CG-CH2 3.72Å; K292-W302 HydrophobicContact CG-CZ2 3.6Å; K292-W302 HydrophobicContact CG-CZ3 3.99Å; K292-W302 PolarHBondContact O-NE1 3.46Å; K292-W302 VanDerWaalsContact O-NE1 3.1Å
293S96.1Very high95.7Very high92 Ų9260.5 Ų60.564%0.64330%0.304SS*.THydrogen-bonded Turntrans-89.3-2.5178.9690000114.2Q289 I291Q289-S293 VanDerWaalsContact O-CB 3.24Å; Q289-S293 WeakPolarHBondContact O-CB 3.41Å; Q289-S293 PolarHBondContact O-N 2.8Å; Q289-S293 PolarHBondContact O-OG 3.08Å; I291-S293 VanDerWaalsContact C-N 3.29Å; I291-S293 PolarHBondContact O-N 2.85Å
294H98.2Very high95.6Very high15 Ų1561.5 Ų61.57%0.06931%0.308CS..SBendtrans-64.3146.2-178.2-173.3-93.1000112.2D264 D267 L268 F281 I291 W296 F297 S298D264-H294 PolarHBondContact O-CE1 3.37Å; D267-H294 IonicContact OD2-NE2 2.68Å; D267-H294 PolarHBondContact OD2-NE2 2.98Å; D267-H294 VanDerWaalsContact OD2-NE2 3.16Å; L268-H294 HydrophobicContact CD1-CB 4.07Å; F281-H294 AromaticContact CE2-CD2 3.77Å; I291-H294 WeakPolarHBondContact O-CB 3.39Å; I291-H294 PolarHBondContact O-N 3.04Å; I291-H294 VanDerWaalsContact O-N 3.15Å; H294-W296 WeakPolarHBondContact ND1-CB 3.25Å; H294-W296 PolarHBondContact ND1-N 3.32Å; H294-W296 PolarHBondContact O-N 3.07Å; H294-W296 VanDerWaalsContact O-N 3.11Å; H294-F297 PolarHBondContact O-N 2.87Å; H294-S298 PolarHBondContact O-N 3.11Å
295K98.2Very high95.7Very high144 Ų14459 Ų5963%0.62629%0.294SS*.G310 helixtrans-54.5-35.2-176.9-68.9-177.7-178.9175.80113.6D264 F297 S298D264-K295 HydrophobicContact CB-CB 4.44Å; K295-F297 PolarHBondContact O-N 3.22Å; K295-S298 WeakPolarHBondContact O-CB 3.49Å; K295-S298 PolarHBondContact O-N 2.82Å; K295-S298 PolarHBondContact O-OG 2.78Å
296W98.6Very high95.8Very high3 Ų349 Ų491%0.01126%0.258CS..G310 helixtrans-61.5-26.1177-166.574.3000113.2E140 A143 R144 I228 D264 L265 L268 H294E140-W296 HydrophobicContact CB-CZ2 4.19Å; E140-W296 PolarHBondContact OE2-NE1 3.44Å; A143-W296 HydrophobicContact CB-CH2 4.21Å; A143-W296 HydrophobicContact CB-CZ2 4.48Å; R144-W296 VanDerWaalsContact CA-CH2 3.45Å; R144-W296 HydrophobicContact CB-CE3 4.5Å; R144-W296 HydrophobicContact CB-CH2 3.71Å; R144-W296 HydrophobicContact CB-CZ2 4.1Å; R144-W296 HydrophobicContact CB-CZ3 3.91Å; R144-W296 HydrophobicContact CG-CE3 4.37Å; R144-W296 HydrophobicContact CG-CH2 4.41Å; R144-W296 HydrophobicContact CG-CZ3 4.13Å; R144-W296 PolarHBondContact NE-O 3.13Å; R144-W296 PolarHBondContact NH2-O 3.49Å; I228-W296 HydrophobicContact CG2-CH2 3.92Å; I228-W296 HydrophobicContact CG2-CZ2 4.45Å; I228-W296 HydrophobicContact CG2-CZ3 4.28Å; D264-W296 HydrophobicContact CB-CB 4.07Å; L265-W296 HydrophobicContact CD1-CD2 4.29Å; L265-W296 HydrophobicContact CD1-CH2 4.48Å; L265-W296 HydrophobicContact CD1-CZ2 3.88Å; L268-W296 HydrophobicContact CB-CB 4.35Å; L268-W296 HydrophobicContact CD2-CB 4.11Å; L268-W296 HydrophobicContact CD2-CD2 3.92Å; L268-W296 HydrophobicContact CD2-CE3 3.4Å; L268-W296 VanDerWaalsContact CD2-CE3 3.4Å; L268-W296 HydrophobicContact CD2-CG 4.24Å; L268-W296 HydrophobicContact CD2-CZ3 4.06Å; H294-W296 WeakPolarHBondContact ND1-CB 3.25Å; H294-W296 PolarHBondContact ND1-N 3.32Å; H294-W296 PolarHBondContact O-N 3.07Å; H294-W296 VanDerWaalsContact O-N 3.11Å
297F98.2Very high95.9Very high3 Ų349 Ų491%0.01325%0.253CS..G310 helixtrans-98.38.8173.5-69.8-71.2000113.5R144 I151 L268 I291 H294 K295 H299 L300 W302R144-F297 HydrophobicContact CG-CD1 3.67Å; R144-F297 HydrophobicContact CG-CE1 3.85Å; I151-F297 HydrophobicContact CD1-CE1 4.12Å; I151-F297 HydrophobicContact CD1-CE2 3.63Å; I151-F297 HydrophobicContact CD1-CZ 3.3Å; L268-F297 HydrophobicContact CD1-CE2 4.45Å; L268-F297 HydrophobicContact CD2-CD2 4.3Å; L268-F297 HydrophobicContact CD2-CE2 3.66Å; L268-F297 HydrophobicContact CD2-CZ 4.3Å; I291-F297 HydrophobicContact CG2-CE2 4.02Å; I291-F297 WeakPolarHBondContact O-CD2 3.39Å; H294-F297 PolarHBondContact O-N 2.87Å; K295-F297 PolarHBondContact O-N 3.22Å; F297-H299 PolarHBondContact O-N 3.44Å; F297-H299 VanDerWaalsContact O-N 3.11Å; F297-L300 HydrophobicContact CD1-CD2 4.38Å; F297-L300 VanDerWaalsContact O-CB 3.25Å; F297-L300 WeakPolarHBondContact O-CB 3.33Å; F297-L300 PolarHBondContact O-N 3.43Å; F297-W302 HydrophobicContact CB-CZ2 3.94Å; F297-W302 HydrophobicContact CD1-CH2 4.11Å; F297-W302 AromaticContact CD1-CZ2 3.91Å; F297-W302 HydrophobicContact CD1-CZ2 3.91Å; F297-W302 HydrophobicContact CD2-CZ2 4.21Å; F297-W302 HydrophobicContact CE1-CH2 4.23Å; F297-W302 HydrophobicContact CE1-CZ2 4.48Å; F297-W302 HydrophobicContact CG-CH2 4.29Å; F297-W302 AromaticContact CG-CZ2 3.77Å; F297-W302 HydrophobicContact CG-CZ2 3.77Å
298S95.2Very high96Very high74 Ų7451.4 Ų51.452%0.51726%0.258SS..THydrogen-bonded Turntrans-60.2-27.2-171.758.20000115.4H294 K295H294-S298 PolarHBondContact O-N 3.11Å; K295-S298 WeakPolarHBondContact O-CB 3.49Å; K295-S298 PolarHBondContact O-N 2.82Å; K295-S298 PolarHBondContact O-OG 2.78Å
299H90.9Very high96Very high166 Ų16656.1 Ų56.177%0.76928%0.278SS*.THydrogen-bonded Turntrans-91.62.3177.5-58.2-63.5000113.8F297F297-H299 PolarHBondContact O-N 3.44Å; F297-H299 VanDerWaalsContact O-N 3.11Å
300L93.7Very high96.1Very high29 Ų2954.4 Ų54.415%0.15227%0.274CS..  trans-92.8130.2-177.4-167103.3000110.3R144 S148 F297 W302 I305R144-L300 HydrophobicContact CG-CD1 4.09Å; S148-L300 VanDerWaalsContact CB-CD2 3.4Å; F297-L300 HydrophobicContact CD1-CD2 4.38Å; F297-L300 VanDerWaalsContact O-CB 3.25Å; F297-L300 WeakPolarHBondContact O-CB 3.33Å; F297-L300 PolarHBondContact O-N 3.43Å; L300-W302 HydrophobicContact CD2-CD2 3.51Å; L300-W302 HydrophobicContact CD2-CE3 3.77Å; L300-W302 HydrophobicContact CD2-CG 3.98Å; L300-W302 HydrophobicContact CD2-CH2 4Å; L300-W302 HydrophobicContact CD2-CZ2 3.73Å; L300-W302 HydrophobicContact CD2-CZ3 4.03Å; L300-I305 HydrophobicContact CD1-CD1 4.02Å; L300-I305 HydrophobicContact CD1-CG1 3.86Å; L300-I305 HydrophobicContact CD2-CG1 4.14Å; L300-I305 HydrophobicContact CG-CG1 3.97Å
301D94.9Very high96Very high61 Ų6159.3 Ų59.333%0.32631%0.305SS..  trans-91.9108.1163.1-170.6-43.4000109.2L303 M304 I305D301-L303 VanDerWaalsContact C-N 3.26Å; D301-L303 PolarHBondContact O-N 3.19Å; D301-L303 WeakPolarHBondContact OD1-CA 3.44Å; D301-L303 WeakPolarHBondContact OD1-CB 3.18Å; D301-L303 PolarHBondContact OD1-N 3.26Å; D301-M304 HydrophobicContact CB-CB 3.97Å; D301-M304 HydrophobicContact CB-CG 3.96Å; D301-M304 HydrophobicContact CB-SD 4.1Å; D301-M304 PolarHBondContact O-N 2.77Å; D301-M304 PolarHBondContact OD1-N 3.12Å; D301-I305 VanDerWaalsContact O-CG1 3.32Å; D301-I305 WeakPolarHBondContact O-CG1 3.38Å; D301-I305 PolarHBondContact O-N 2.82Å; D301-I305 VanDerWaalsContact O-N 3.08Å
302W95.1Very high96Very high29 Ų2959.8 Ų59.811%0.1131%0.309CS..Hα-helixtrans-62.7-32.5-179-68.995000112.8S148 I151 L152 K292 F297 L300 F306S148-W302 WeakPolarHBondContact O-CZ3 3.44Å; I151-W302 HydrophobicContact CB-CH2 4.15Å; I151-W302 HydrophobicContact CB-CZ3 4.03Å; I151-W302 HydrophobicContact CD1-CH2 3.93Å; I151-W302 HydrophobicContact CG2-CH2 3.9Å; I151-W302 HydrophobicContact CG2-CZ3 3.84Å; L152-W302 HydrophobicContact CD1-CE3 4.15Å; L152-W302 HydrophobicContact CD2-CE3 3.91Å; L152-W302 HydrophobicContact CD2-CZ3 4.49Å; L152-W302 HydrophobicContact CG-CE3 3.84Å; L152-W302 HydrophobicContact CG-CZ3 4.1Å; K292-W302 VanDerWaalsContact CA-CZ2 3.47Å; K292-W302 HydrophobicContact CB-CD2 4.34Å; K292-W302 HydrophobicContact CB-CH2 4.34Å; K292-W302 HydrophobicContact CB-CZ2 3.7Å; K292-W302 HydrophobicContact CD-CD2 4.41Å; K292-W302 HydrophobicContact CD-CE3 4.4Å; K292-W302 HydrophobicContact CG-CD2 4.08Å; K292-W302 HydrophobicContact CG-CE3 4.19Å; K292-W302 HydrophobicContact CG-CH2 3.72Å; K292-W302 HydrophobicContact CG-CZ2 3.6Å; K292-W302 HydrophobicContact CG-CZ3 3.99Å; K292-W302 PolarHBondContact O-NE1 3.46Å; K292-W302 VanDerWaalsContact O-NE1 3.1Å; F297-W302 HydrophobicContact CB-CZ2 3.94Å; F297-W302 HydrophobicContact CD1-CH2 4.11Å; F297-W302 AromaticContact CD1-CZ2 3.91Å; F297-W302 HydrophobicContact CD1-CZ2 3.91Å; F297-W302 HydrophobicContact CD2-CZ2 4.21Å; F297-W302 HydrophobicContact CE1-CH2 4.23Å; F297-W302 HydrophobicContact CE1-CZ2 4.48Å; F297-W302 HydrophobicContact CG-CH2 4.29Å; F297-W302 AromaticContact CG-CZ2 3.77Å; F297-W302 HydrophobicContact CG-CZ2 3.77Å; L300-W302 HydrophobicContact CD2-CD2 3.51Å; L300-W302 HydrophobicContact CD2-CE3 3.77Å; L300-W302 HydrophobicContact CD2-CG 3.98Å; L300-W302 HydrophobicContact CD2-CH2 4Å; L300-W302 HydrophobicContact CD2-CZ2 3.73Å; L300-W302 HydrophobicContact CD2-CZ3 4.03Å; W302-F306 WeakPolarHBondContact O-CB 3.4Å; W302-F306 PolarHBondContact O-N 3.21Å
303L93.8Very high96Very high24 Ų2461.9 Ų61.913%0.12632%0.324CS..Hα-helixtrans-75.7-42.9-178.9-173.161.6000110.7I11 E14 D301 I305 F306 K307I11-L303 HydrophobicContact CG1-CD2 4.31Å; I11-L303 HydrophobicContact CG2-CB 4.24Å; E14-L303 WeakPolarHBondContact OE2-CD2 3.44Å; D301-L303 VanDerWaalsContact C-N 3.26Å; D301-L303 PolarHBondContact O-N 3.19Å; D301-L303 WeakPolarHBondContact OD1-CA 3.44Å; D301-L303 WeakPolarHBondContact OD1-CB 3.18Å; D301-L303 PolarHBondContact OD1-N 3.26Å; L303-I305 VanDerWaalsContact C-N 3.31Å; L303-I305 PolarHBondContact O-N 2.77Å; L303-F306 HydrophobicContact CD1-CD1 4.41Å; L303-F306 PolarHBondContact O-N 2.85Å; L303-K307 HydrophobicContact CD1-CD 4.34Å; L303-K307 HydrophobicContact CD1-CG 4.46Å; L303-K307 HydrophobicContact CG-CD 4.15Å; L303-K307 WeakPolarHBondContact O-CB 3.38Å; L303-K307 WeakPolarHBondContact O-CG 3.27Å; L303-K307 PolarHBondContact O-N 3.41Å
304M95.8Very high96.1Very high85 Ų8558.5 Ų58.542%0.41930%0.298SS..Hα-helixtrans-62.4-39.1174.2-70.1-173.1164.400111.8D301 K307 K308 E309 V310D301-M304 HydrophobicContact CB-CB 3.97Å; D301-M304 HydrophobicContact CB-CG 3.96Å; D301-M304 HydrophobicContact CB-SD 4.1Å; D301-M304 PolarHBondContact O-N 2.77Å; D301-M304 PolarHBondContact OD1-N 3.12Å; M304-K307 PolarHBondContact O-N 3.03Å; M304-K308 PolarHBondContact O-N 3.09Å; M304-K308 VanDerWaalsContact O-N 3.13Å; M304-E309 HydrophobicContact CB-CB 4.22Å; M304-E309 HydrophobicContact CG-CB 4.5Å; M304-E309 PolarHBondContact O-N 2.96Å; M304-V310 HydrophobicContact CB-CG2 3.73Å
305I96.4Very high96Very high1 Ų163.2 Ų63.21%0.00532%0.323CS..Hα-helixtrans-60.5-51.7172.9-67.9-72.1000110F102 F145 Q149 L152 L300 D301 L303 K307 K308 V310F102-I305 HydrophobicContact CE2-CG2 4.36Å; F102-I305 HydrophobicContact CZ-CG2 4.18Å; F102-I305 WeakPolarHBondContact CZ-O 3.31Å; F145-I305 HydrophobicContact CD2-CD1 3.65Å; F145-I305 HydrophobicContact CE2-CD1 3.9Å; Q149-I305 HydrophobicContact CG-CG2 3.68Å; L152-I305 HydrophobicContact CD1-CB 4.43Å; L152-I305 HydrophobicContact CD1-CG2 3.83Å; L300-I305 HydrophobicContact CD1-CD1 4.02Å; L300-I305 HydrophobicContact CD1-CG1 3.86Å; L300-I305 HydrophobicContact CD2-CG1 4.14Å; L300-I305 HydrophobicContact CG-CG1 3.97Å; D301-I305 VanDerWaalsContact O-CG1 3.32Å; D301-I305 WeakPolarHBondContact O-CG1 3.38Å; D301-I305 PolarHBondContact O-N 2.82Å; D301-I305 VanDerWaalsContact O-N 3.08Å; L303-I305 VanDerWaalsContact C-N 3.31Å; L303-I305 PolarHBondContact O-N 2.77Å; I305-K307 VanDerWaalsContact C-N 3.31Å; I305-K307 PolarHBondContact O-N 2.92Å; I305-K308 PolarHBondContact O-N 2.63Å; I305-V310 HydrophobicContact CD1-CB 3.88Å; I305-V310 HydrophobicContact CD1-CG1 4.21Å; I305-V310 HydrophobicContact CD1-CG2 3.73Å; I305-V310 HydrophobicContact CG1-CG2 4.12Å
306F95.3Very high95.9Very high39 Ų3956.7 Ų56.717%0.17130%0.295CS..Hα-helixtrans-56.7-42.4180175.4-106.7000112.6Y18 F100 P101 L152 W302 L303 K308Y18-F306 HydrophobicContact CD1-CE2 4.49Å; Y18-F306 HydrophobicContact CD1-CZ 4.16Å; Y18-F306 HydrophobicContact CD2-CE1 4.45Å; Y18-F306 AromaticContact CD2-CZ 3.92Å; Y18-F306 HydrophobicContact CD2-CZ 3.92Å; Y18-F306 HydrophobicContact CE1-CE2 4.02Å; Y18-F306 AromaticContact CE1-CZ 3.9Å; Y18-F306 HydrophobicContact CE1-CZ 3.9Å; Y18-F306 HydrophobicContact CE2-CE1 4.48Å; Y18-F306 HydrophobicContact CE2-CE2 4.45Å; Y18-F306 AromaticContact CE2-CZ 3.62Å; Y18-F306 HydrophobicContact CE2-CZ 3.62Å; Y18-F306 HydrophobicContact CG-CZ 4.18Å; Y18-F306 AromaticContact CZ-CE2 3.97Å; Y18-F306 AromaticContact CZ-CZ 3.6Å; F100-F306 HydrophobicContact CD2-CE2 4.37Å; F100-F306 HydrophobicContact CE2-CD2 4.16Å; F100-F306 AromaticContact CE2-CE2 3.57Å; F100-F306 HydrophobicContact CE2-CE2 3.57Å; F100-F306 AromaticContact CZ-CD2 3.97Å; F100-F306 HydrophobicContact CZ-CD2 3.97Å; F100-F306 AromaticContact CZ-CE2 3.86Å; F100-F306 HydrophobicContact CZ-CE2 3.86Å; P101-F306 HydrophobicContact CG-CD2 4.41Å; P101-F306 HydrophobicContact CG-CE2 3.88Å; P101-F306 HydrophobicContact CG-CZ 4.41Å; L152-F306 HydrophobicContact CD1-CB 4.17Å; W302-F306 WeakPolarHBondContact O-CB 3.4Å; W302-F306 PolarHBondContact O-N 3.21Å; L303-F306 HydrophobicContact CD1-CD1 4.41Å; L303-F306 PolarHBondContact O-N 2.85Å; F306-K308 PolarHBondContact O-N 3.46Å
307K95.1Very high95.7Very high102 Ų10262.4 Ų62.444%0.44333%0.326SS..THydrogen-bonded Turntrans-76.8-0.8177.1-67.9-179.8178.71730114.2L303 M304 I305 E309L303-K307 HydrophobicContact CD1-CD 4.34Å; L303-K307 HydrophobicContact CD1-CG 4.46Å; L303-K307 HydrophobicContact CG-CD 4.15Å; L303-K307 WeakPolarHBondContact O-CB 3.38Å; L303-K307 WeakPolarHBondContact O-CG 3.27Å; L303-K307 PolarHBondContact O-N 3.41Å; M304-K307 PolarHBondContact O-N 3.03Å; I305-K307 VanDerWaalsContact C-N 3.31Å; I305-K307 PolarHBondContact O-N 2.92Å; K307-E309 VanDerWaalsContact C-N 3.32Å; K307-E309 HydrophobicContact CB-CG 3.84Å; K307-E309 PolarHBondContact O-N 2.75Å
308K96.6Very high95.5Very high70 Ų7063.8 Ų63.830%0.30434%0.336SS..THydrogen-bonded Turntrans58.535.9-174.7-58.3-167.5170.3-169.50114.6F102 D175 Y179 M304 I305 F306F102-K308 HydrophobicContact CE1-CG 4.16Å; D175-K308 IonicContact OD2-NZ 3.49Å; D175-K308 PolarHBondContact OD2-NZ 3.49Å; Y179-K308 HydrophobicContact CD1-CB 4.3Å; Y179-K308 HydrophobicContact CD1-CD 4.09Å; Y179-K308 HydrophobicContact CD1-CG 3.74Å; Y179-K308 HydrophobicContact CD2-CB 4.38Å; Y179-K308 HydrophobicContact CD2-CD 4.28Å; Y179-K308 HydrophobicContact CD2-CG 4.41Å; Y179-K308 HydrophobicContact CE1-CB 3.87Å; Y179-K308 HydrophobicContact CE1-CD 4.5Å; Y179-K308 HydrophobicContact CE1-CG 3.72Å; Y179-K308 HydrophobicContact CE2-CB 3.96Å; Y179-K308 HydrophobicContact CE2-CG 4.4Å; Y179-K308 HydrophobicContact CG-CD 3.97Å; Y179-K308 HydrophobicContact CG-CG 4.09Å; Y179-K308 VanDerWaalsContact CZ-CA 3.4Å; Y179-K308 VanDerWaalsContact OH-CA 3.25Å; Y179-K308 WeakPolarHBondContact OH-CA 3.21Å; Y179-K308 PolarHBondContact OH-O 2.58Å; M304-K308 PolarHBondContact O-N 3.09Å; M304-K308 VanDerWaalsContact O-N 3.13Å; I305-K308 PolarHBondContact O-N 2.63Å; F306-K308 PolarHBondContact O-N 3.46Å
309E96.4Very high95.3Very high122 Ų12268.3 Ų68.357%0.5735%0.346SS*.  trans-94.9-2.8-177-67.3174.5176.700113.6M304 K307M304-E309 HydrophobicContact CB-CB 4.22Å; M304-E309 HydrophobicContact CG-CB 4.5Å; M304-E309 PolarHBondContact O-N 2.96Å; K307-E309 VanDerWaalsContact C-N 3.32Å; K307-E309 HydrophobicContact CB-CG 3.84Å; K307-E309 PolarHBondContact O-N 2.75Å
310V96.7Very high95.4Very high49 Ų4961.8 Ų61.830%0.29732%0.323SS..SBendtrans-93.7134.4175.8-177.70000110.3F145 Y179 M304 I305 A312F145-V310 HydrophobicContact CD2-CG1 4.09Å; F145-V310 HydrophobicContact CE2-CB 4.2Å; F145-V310 HydrophobicContact CE2-CG1 4.13Å; Y179-V310 WeakPolarHBondContact CE2-O 3.38Å; Y179-V310 WeakPolarHBondContact OH-CA 3.46Å; Y179-V310 PolarHBondContact OH-N 2.56Å; Y179-V310 PolarHBondContact OH-O 3.34Å; M304-V310 HydrophobicContact CB-CG2 3.73Å; I305-V310 HydrophobicContact CD1-CB 3.88Å; I305-V310 HydrophobicContact CD1-CG1 4.21Å; I305-V310 HydrophobicContact CD1-CG2 3.73Å; I305-V310 HydrophobicContact CG1-CG2 4.12Å; V310-A312 PolarHBondContact O-N 3.1Å
311T96.8Very high95.2Very high124 Ų12465.1 Ų65.176%0.76135%0.346SS*.PPolyproline II helixtrans-64.8124.9174.7-54.60000110.9
312A97.8Very high95.1Very high11 Ų1163.5 Ų63.59%0.09134%0.344CS..PPolyproline II helixtrans-66.6142178.500000111.8F145 V177 V310 L314F145-A312 HydrophobicContact CE1-CB 3.83Å; F145-A312 HydrophobicContact CZ-CB 3.69Å; V177-A312 VanDerWaalsContact O-CB 3.23Å; V177-A312 WeakPolarHBondContact O-CB 3.39Å; V310-A312 PolarHBondContact O-N 3.1Å; A312-L314 PolarHBondContact O-N 3.29Å
313P97.2Very high95.1Very high57 Ų5763 Ų6337%0.3734%0.344SS..SBendtrans-72.9-14.6-178.431.9-38.1000113.5A142 F145 Y146A142-P313 HydrophobicContact CB-CB 3.77Å; A142-P313 HydrophobicContact CB-CG 3.75Å; F145-P313 HydrophobicContact CB-CG 4.25Å; F145-P313 HydrophobicContact CD1-CG 3.78Å; F145-P313 VanDerWaalsContact CE1-CD 3.48Å; F145-P313 HydrophobicContact CE1-CG 4.42Å; F145-P313 HydrophobicContact CG-CG 4.16Å; Y146-P313 HydrophobicContact CE2-CG 4.02Å
314L96.6Very high95.1Very high21 Ų2162.1 Ų62.111%0.1134%0.34CS..  trans-146.9125.4177.2176162.6000108.1Y131 K135 Y146 L174 G178 A312 P316Y131-L314 HydrophobicContact CD1-CD1 3.55Å; Y131-L314 HydrophobicContact CD1-CD2 3.8Å; Y131-L314 HydrophobicContact CD1-CG 4.3Å; Y131-L314 HydrophobicContact CE1-CD1 4.24Å; Y131-L314 HydrophobicContact CE1-CD2 3.72Å; Y131-L314 HydrophobicContact CG-CD1 4.07Å; Y131-L314 HydrophobicContact CG-CD2 4.36Å; K135-L314 HydrophobicContact CD-CD1 4.34Å; Y146-L314 WeakPolarHBondContact OH-CB 3.32Å; L174-L314 HydrophobicContact CD1-CD2 3.69Å; G178-L314 VanDerWaalsContact CA-O 3.29Å; G178-L314 WeakPolarHBondContact CA-O 3.3Å; A312-L314 PolarHBondContact O-N 3.29Å; L314-P316 HydrophobicContact CD2-CG 4.24Å
315I97Very high95.1Very high114 Ų11462.5 Ų62.559%0.58535%0.347SS*.  trans-106.1117.8175.5-59.3176.5000107.4P176P176-I315 WeakPolarHBondContact O-CG2 3.42Å
316P96.4Very high95Very high7 Ų764 Ų645%0.04536%0.355CS..  trans-56.9142.2174.7-30.539.9000112.5Y131 L174 D175 L314 C318Y131-P316 WeakPolarHBondContact OH-CB 3.43Å; L174-P316 HydrophobicContact CB-CG 3.73Å; L174-P316 HydrophobicContact CD1-CG 4.35Å; D175-P316 WeakPolarHBondContact O-CD 3.47Å; D175-P316 WeakPolarHBondContact O-CG 3.45Å; L314-P316 HydrophobicContact CD2-CG 4.24Å; P316-C318 PolarHBondContact O-N 2.91Å
317N94.7Very high94.9Very high122 Ų12263.3 Ų63.365%0.65235%0.352SS*.  trans-80.3102.2170.1-1749.6000108.9N326N317-N326 PolarHBondContact O-ND2 2.7Å
318C93.5Very high94.8Very high33 Ų3364.2 Ų64.222%0.22336%0.358CS..  trans-118.5114.3177.8-61.90000109.5S124 P316 G320S124-C318 PolarHBondContact OG-SG 2.93Å; S124-C318 VanDerWaalsContact OG-SG 3.34Å; P316-C318 PolarHBondContact O-N 2.91Å; C318-G320 VanDerWaalsContact C-N 3.25Å; C318-G320 PolarHBondContact O-N 2.91Å
319K91.5Very high94.6Very high169 Ų16971.8 Ų71.874%0.73539%0.385SS*.SBendtrans-73-15.9-178.2-62.4179.9-178.11780113.8D323K319-D323 HydrophobicContact CB-CB 4.35Å; K319-D323 WeakPolarHBondContact CB-OD2 3.49Å; K319-D323 PolarHBondContact N-OD2 2.99Å
320G91.3Very high94.4Very high28 Ų2869.1 Ų69.129%0.28937%0.37SS..SBendtrans173.5177.1-178.500000112.7C318 G322 D323C318-G320 VanDerWaalsContact C-N 3.25Å; C318-G320 PolarHBondContact O-N 2.91Å; G320-G322 VanDerWaalsContact C-N 3.27Å; G320-G322 PolarHBondContact O-N 3.4Å; G320-D323 VanDerWaalsContact O-CB 3.27Å; G320-D323 WeakPolarHBondContact O-CB 3.34Å; G320-D323 PolarHBondContact O-N 3.03Å
321P90.6Very high94.2Very high99 Ų9976.8 Ų76.864%0.64339%0.394SS*.THydrogen-bonded Turntrans-66.1-25.1-172.925.5-34.9000114.1F68 Y122F68-P321 HydrophobicContact CD2-CB 3.87Å; F68-P321 HydrophobicContact CD2-CG 4.24Å; F68-P321 HydrophobicContact CE2-CB 4.06Å; F68-P321 HydrophobicContact CE2-CG 3.92Å; Y122-P321 WeakPolarHBondContact CD1-O 3.39Å; Y122-P321 WeakPolarHBondContact CE1-O 3.22Å
322G92.6Very high94Very high27 Ų2774.9 Ų74.928%0.27838%0.376SS..THydrogen-bonded Turntrans-99.99.5174.500000114.3L59 G320 A324L59-G322 WeakPolarHBondContact CD2-O 3.47Å; G320-G322 VanDerWaalsContact C-N 3.27Å; G320-G322 PolarHBondContact O-N 3.4Å; G322-A324 PolarHBondContact O-N 2.92Å
323D94.9Very high93.6Very high19 Ų1979.4 Ų79.410%0.10240%0.395CS..  trans-68.4128.2179.6-174.411.3000110.2Y122 S124 K319 G320 T325Y122-D323 PolarHBondContact OH-O 3.04Å; S124-D323 WeakPolarHBondContact CB-O 3.48Å; K319-D323 HydrophobicContact CB-CB 4.35Å; K319-D323 WeakPolarHBondContact CB-OD2 3.49Å; K319-D323 PolarHBondContact N-OD2 2.99Å; G320-D323 VanDerWaalsContact O-CB 3.27Å; G320-D323 WeakPolarHBondContact O-CB 3.34Å; G320-D323 PolarHBondContact O-N 3.03Å; D323-T325 WeakPolarHBondContact OD1-CB 3.04Å; D323-T325 PolarHBondContact OD1-N 3.47Å; D323-T325 PolarHBondContact OD1-OG1 2.82Å
324A94.7Very high93.2Very high6 Ų682.6 Ų82.65%0.0542%0.416CS..  trans-126.12617800000111.4R47 L49 L59 Y122 G322 N326 F327R47-A324 HydrophobicContact CG-CB 4.47Å; R47-A324 PolarHBondContact NH1-O 3.16Å; L49-A324 HydrophobicContact CD2-CB 4Å; L59-A324 HydrophobicContact CD2-CB 4.03Å; Y122-A324 WeakPolarHBondContact OH-CA 3.28Å; Y122-A324 WeakPolarHBondContact OH-CB 3.33Å; G322-A324 PolarHBondContact O-N 2.92Å; A324-N326 PolarHBondContact O-N 3.38Å; A324-F327 HydrophobicContact CB-CD2 4.27Å; A324-F327 PolarHBondContact O-N 2.71Å
325T94.6Very high93Very high92 Ų9283 Ų8356%0.56442%0.418SS*.THydrogen-bonded Turntrans-67.1-27.5177.5-57.20000111.9D323 F327D323-T325 WeakPolarHBondContact OD1-CB 3.04Å; D323-T325 PolarHBondContact OD1-N 3.47Å; D323-T325 PolarHBondContact OD1-OG1 2.82Å; T325-F327 PolarHBondContact O-N 3.44Å
326N94.8Very high92.8Very high33 Ų3383.4 Ų83.418%0.17642%0.415CS..THydrogen-bonded Turntrans-78.71176.6-60.2-49.4000113.8S124 G125 N317 A324S124-N326 PolarHBondContact O-ND2 2.94Å; S124-N326 VanDerWaalsContact O-ND2 3.09Å; G125-N326 WeakPolarHBondContact O-CB 3.44Å; N317-N326 PolarHBondContact O-ND2 2.7Å; A324-N326 PolarHBondContact O-N 3.38Å
327F93.7Very high92.6Very high24 Ų2492.8 Ų92.811%0.10546%0.455CS..SBendtrans-112.5144.2178.3-66.5-92.1000111.4R47 L49 Y122 V123 A324 T325R47-F327 PolarHBondContact NH2-O 3.48Å; L49-F327 HydrophobicContact CB-CD1 4.22Å; L49-F327 HydrophobicContact CD2-CB 4.1Å; L49-F327 HydrophobicContact CD2-CD1 4.04Å; L49-F327 HydrophobicContact CD2-CD2 3.8Å; L49-F327 HydrophobicContact CD2-CE1 4.4Å; L49-F327 HydrophobicContact CD2-CE2 4.18Å; L49-F327 HydrophobicContact CD2-CG 3.71Å; L49-F327 HydrophobicContact CD2-CZ 4.45Å; Y122-F327 AromaticContact CE2-CE2 3.79Å; Y122-F327 HydrophobicContact CE2-CE2 3.79Å; Y122-F327 HydrophobicContact CE2-CZ 4.04Å; Y122-F327 AromaticContact CZ-CE2 3.96Å; Y122-F327 WeakPolarHBondContact OH-CE2 3.41Å; V123-F327 VanDerWaalsContact O-CZ 3.25Å; V123-F327 WeakPolarHBondContact O-CZ 3.48Å; A324-F327 HydrophobicContact CB-CD2 4.27Å; A324-F327 PolarHBondContact O-N 2.71Å; T325-F327 PolarHBondContact O-N 3.44Å
328E91.7Very high92.5Very high122 Ų12288.9 Ų88.957%0.5744%0.438SS*.  trans-57.1152.1173.7-63.6-169.9165.700112.2R47 Y330R47-E328 PolarHBondContact NH2-O 2.78Å; E328-Y330 HydrophobicContact CB-CD2 4.46Å; E328-Y330 HydrophobicContact CB-CE2 3.76Å; E328-Y330 WeakPolarHBondContact O-CD2 3.16Å
329R92.5Very high92.3Very high228 Ų22897.3 Ų97.386%0.8647%0.471SS*.  trans-91.2119.9177.3-71.7-173179-169.10.4109.4
330Y92.8Very high92.3Very high66 Ų6694.4 Ų94.426%0.25946%0.462SS..  trans-104.4156.3175.7-66.3-92.6000110.3T48 L49 T51 E328 E332T48-Y330 HydrophobicContact CG2-CD2 4.15Å; T48-Y330 HydrophobicContact CG2-CG 3.9Å; L49-Y330 VanDerWaalsContact O-CE2 3.3Å; L49-Y330 WeakPolarHBondContact O-CE2 3Å; T51-Y330 HydrophobicContact CG2-CD1 3.81Å; T51-Y330 HydrophobicContact CG2-CE1 4.12Å; E328-Y330 HydrophobicContact CB-CD2 4.46Å; E328-Y330 HydrophobicContact CB-CE2 3.76Å; E328-Y330 WeakPolarHBondContact O-CD2 3.16Å; Y330-E332 PolarHBondContact O-N 3.21Å
331R92Very high92.2Very high211 Ų21195.2 Ų95.280%0.79646%0.46SS*.  trans-70.6127.7169.8-177.1-179.7178.7-179.21109.3
332E93Very high92.2Very high84 Ų8497.6 Ų97.639%0.39346%0.46SS..  trans-76141.2174-55.6-54.8157.500111R47 T48 Y330R47-E332 VanDerWaalsContact CA-OE1 3.27Å; R47-E332 WeakPolarHBondContact CA-OE1 3.47Å; R47-E332 WeakPolarHBondContact CB-OE1 3.16Å; T48-E332 WeakPolarHBondContact CB-OE2 3.07Å; T48-E332 PolarHBondContact N-OE1 3.05Å; T48-E332 PolarHBondContact N-OE2 3.26Å; T48-E332 PolarHBondContact OG1-OE2 3.35Å; Y330-E332 PolarHBondContact O-N 3.21Å
333E88.7Confident92.3Very high106 Ų10698.4 Ų98.450%0.49546%0.456SS..  trans-134.3138.9175.1-52.6177.8165.400108.7R56R56-E333 IonicContact CZ-OE2 3.49Å; R56-E333 VanDerWaalsContact NH1-N 3.17Å; R56-E333 PolarHBondContact NH1-O 2.79Å; R56-E333 IonicContact NH2-OE2 3.9Å; R56-E333 PolarHBondContact NH2-OE2 3.38Å
334P90.6Very high92.2Very high124 Ų124103.4 Ų103.481%0.80548%0.479SS*.PPolyproline II helixtrans-65.9139.117927.8-33.9000110.7
335L92.6Very high92.1Very high28 Ų28107.1 Ų107.115%0.14751%0.51CS..PPolyproline II helixtrans-67.6135.2172.1-63.3178000110.3L40 I73 Y115L40-L335 HydrophobicContact CD2-CD1 3.75Å; I73-L335 HydrophobicContact CD1-CD1 4.07Å; I73-L335 HydrophobicContact CD1-CD2 4.15Å; I73-L335 HydrophobicContact CG2-CD2 4.03Å; Y115-L335 HydrophobicContact CE2-CB 3.97Å; Y115-L335 HydrophobicContact CE2-CD2 4.2Å
336K92.9Very high92.1Very high123 Ų123106.8 Ų106.854%0.53550%0.501SS..PPolyproline II helixtrans-62.6148.2174.9-61168.6-167.6166.60110.1D75 V114 Y115D75-K336 IonicContact OD2-NZ 3.27Å; D75-K336 PolarHBondContact OD2-NZ 3.29Å; V114-K336 HydrophobicContact CG1-CB 4.1Å; V114-K336 HydrophobicContact CG1-CD 4.41Å; Y115-K336 HydrophobicContact CE2-CB 4.1Å; Y115-K336 WeakPolarHBondContact CE2-O 3.27Å; Y115-K336 WeakPolarHBondContact OH-CB 3.5Å; Y115-K336 WeakPolarHBondContact OH-CG 3.43Å; Y115-K336 PolarHBondContact OH-N 2.91Å; Y115-K336 VanDerWaalsContact OH-N 3.08Å
337K91.5Very high92.1Very high204 Ų204105.2 Ų105.289%0.88749%0.493SS*.  trans-119.7141.6171.7-63.7-176.8178.8-175.50109
338S92.7Very high92Very high41 Ų41106.8 Ų106.829%0.28751%0.511SS..  trans-140.9144.2174.3179.30000108E113 V114 I340E113-S338 WeakPolarHBondContact CB-O 3.4Å; E113-S338 VanDerWaalsContact CG-O 3.31Å; E113-S338 WeakPolarHBondContact CG-O 3.33Å; V114-S338 VanDerWaalsContact CG2-CB 3.41Å; S338-I340 PolarHBondContact OG-N 3.12Å; S338-I340 PolarHBondContact OG-O 3.17Å
339K88.7Confident91.7Very high209 Ų209108.1 Ų108.191%0.90952%0.522SS*.SBendtrans-89.5-9.9167.5-63.7-171.8178.2-176.80112.5
340I90.6Very high91.5Very high109 Ų10998.2 Ų98.256%0.55949%0.485SS*.  trans-106.6118-176.1-55.5174.5000108.3S338 K342S338-I340 PolarHBondContact OG-N 3.12Å; S338-I340 PolarHBondContact OG-O 3.17Å; I340-K342 HydrophobicContact CB-CG 4.45Å; I340-K342 HydrophobicContact CG2-CG 3.7Å; I340-K342 PolarHBondContact O-N 3.42Å
341N89.7Confident91.4Very high45 Ų4599.8 Ų99.824%0.24150%0.496CS..  trans-8677.1173.3-167.99.3000110.2K76 E113 F343 E344K76-N341 PolarHBondContact NZ-OD1 3.11Å; E113-N341 HydrophobicContact CB-CB 4.4Å; E113-N341 HydrophobicContact CG-CB 4.22Å; N341-F343 PolarHBondContact O-N 2.85Å; N341-F343 VanDerWaalsContact O-N 3.15Å; N341-E344 HydrophobicContact CB-CB 4.37Å; N341-E344 WeakPolarHBondContact ND2-CB 3.27Å; N341-E344 WeakPolarHBondContact ND2-CG 3.41Å; N341-E344 PolarHBondContact ND2-OE2 2.82Å
342K91.2Very high91.4Very high149 Ų14993.9 Ų93.965%0.64848%0.48SS*.THydrogen-bonded Turntrans-62.3-22-173.3-68.8-175.9177.5-177.90114.9I340I340-K342 HydrophobicContact CB-CG 4.45Å; I340-K342 HydrophobicContact CG2-CG 3.7Å; I340-K342 PolarHBondContact O-N 3.42Å
343F93.7Very high91.3Very high44 Ų4494.5 Ų94.519%0.19349%0.485CS..THydrogen-bonded Turntrans-124.637.4-172.2-49.2-66.4000111.3K76 A77 I80 N341 E346 F347K76-F343 HydrophobicContact CB-CD2 3.67Å; K76-F343 HydrophobicContact CB-CE2 4.34Å; K76-F343 HydrophobicContact CB-CG 4.43Å; K76-F343 HydrophobicContact CD-CB 4.29Å; K76-F343 HydrophobicContact CD-CD2 4.4Å; A77-F343 HydrophobicContact CB-CE2 3.75Å; A77-F343 HydrophobicContact CB-CZ 4.05Å; I80-F343 HydrophobicContact CB-CE1 4.37Å; I80-F343 HydrophobicContact CD1-CD1 4.26Å; I80-F343 HydrophobicContact CG1-CD1 3.83Å; I80-F343 HydrophobicContact CG1-CE1 4.11Å; I80-F343 HydrophobicContact CG1-CG 4.08Å; I80-F343 HydrophobicContact CG2-CE1 4.16Å; N341-F343 PolarHBondContact O-N 2.85Å; N341-F343 VanDerWaalsContact O-N 3.15Å; F343-E346 VanDerWaalsContact C-OE2 3.23Å; F343-E346 WeakPolarHBondContact CA-OE2 3.5Å; F343-F347 HydrophobicContact CB-CD2 3.86Å; F343-F347 HydrophobicContact CB-CE2 4.02Å; F343-F347 WeakPolarHBondContact O-CD2 3.5Å; F343-F347 PolarHBondContact O-N 2.8Å
344E93Very high91.5Very high124 Ų12493.8 Ų93.858%0.57949%0.485SS*.THydrogen-bonded Turntrans-64-44.2-177.4-173.2161.4-17500112.1N341 F347 A348N341-E344 HydrophobicContact CB-CB 4.37Å; N341-E344 WeakPolarHBondContact ND2-CB 3.27Å; N341-E344 WeakPolarHBondContact ND2-CG 3.41Å; N341-E344 PolarHBondContact ND2-OE2 2.82Å; E344-F347 CarbonylContact O-C 3.48Å; E344-F347 PolarHBondContact O-N 2.69Å; E344-A348 WeakPolarHBondContact O-CA 3.31Å; E344-A348 PolarHBondContact O-N 2.85Å
345A93.7Very high91.5Very high84 Ų8491.9 Ų91.969%0.69447%0.465SS*.THydrogen-bonded Turntrans-65.4-44.3-177.800000112F347 A348A345-F347 PolarHBondContact O-N 3.05Å; A345-A348 WeakPolarHBondContact O-CB 3.49Å; A345-A348 PolarHBondContact O-N 2.93Å
346E94.9Very high91.5Very high84 Ų8496.2 Ų96.239%0.39349%0.486SS..THydrogen-bonded Turntrans-68.5-24.5-176.8-61.292149.400112.9I80 V85 F343I80-E346 HydrophobicContact CD1-CB 3.8Å; I80-E346 HydrophobicContact CD1-CG 3.78Å; V85-E346 WeakPolarHBondContact CG1-O 3.18Å; F343-E346 VanDerWaalsContact C-OE2 3.23Å; F343-E346 WeakPolarHBondContact CA-OE2 3.5Å
347F93.9Very high91.4Very high0 Ų094.3 Ų94.30%048%0.482CS..THydrogen-bonded Turntrans-116.622.4178.5-62.7-70.4000112.2K76 I79 I80 V85 K111 L116 F343 E344 A345 D349 F350K76-F347 HydrophobicContact CB-CD2 4.27Å; K76-F347 HydrophobicContact CB-CE2 3.76Å; K76-F347 HydrophobicContact CB-CZ 4.49Å; K76-F347 HydrophobicContact CD-CD2 3.86Å; K76-F347 HydrophobicContact CD-CE2 4.22Å; K76-F347 HydrophobicContact CG-CD2 3.87Å; K76-F347 HydrophobicContact CG-CE2 3.78Å; K76-F347 HydrophobicContact CG-CZ 4.48Å; I79-F347 HydrophobicContact CB-CZ 4.05Å; I79-F347 HydrophobicContact CD1-CE1 4.49Å; I79-F347 HydrophobicContact CD1-CZ 4.3Å; I79-F347 HydrophobicContact CG2-CE1 4.12Å; I79-F347 HydrophobicContact CG2-CZ 3.73Å; I80-F347 HydrophobicContact CD1-CE2 4.01Å; I80-F347 HydrophobicContact CD1-CZ 4.29Å; I80-F347 HydrophobicContact CG1-CE2 3.93Å; I80-F347 HydrophobicContact CG1-CZ 4.27Å; V85-F347 HydrophobicContact CB-CE1 4.39Å; V85-F347 HydrophobicContact CG1-CD1 4.31Å; V85-F347 HydrophobicContact CG1-CE1 3.89Å; V85-F347 HydrophobicContact CG1-CZ 4.41Å; V85-F347 HydrophobicContact CG2-CE1 4.21Å; V85-F347 HydrophobicContact CG2-CZ 3.95Å; K111-F347 WeakPolarHBondContact CE-O 3.44Å; K111-F347 PolarHBondContact NZ-O 3.3Å; L116-F347 HydrophobicContact CD1-CD1 3.53Å; L116-F347 HydrophobicContact CD1-CE1 3.47Å; L116-F347 VanDerWaalsContact CD1-CE1 3.47Å; L116-F347 HydrophobicContact CD1-CG 4.22Å; L116-F347 HydrophobicContact CD1-CZ 4.11Å; L116-F347 HydrophobicContact CD2-CB 4.09Å; L116-F347 HydrophobicContact CD2-CD1 4.05Å; L116-F347 HydrophobicContact CD2-CG 3.97Å; L116-F347 HydrophobicContact CG-CD1 4.36Å; F343-F347 HydrophobicContact CB-CD2 3.86Å; F343-F347 HydrophobicContact CB-CE2 4.02Å; F343-F347 WeakPolarHBondContact O-CD2 3.5Å; F343-F347 PolarHBondContact O-N 2.8Å; E344-F347 CarbonylContact O-C 3.48Å; E344-F347 PolarHBondContact O-N 2.69Å; A345-F347 PolarHBondContact O-N 3.05Å; F347-D349 PolarHBondContact O-N 3.1Å; F347-F350 HydrophobicContact CB-CB 4.14Å; F347-F350 WeakPolarHBondContact O-CB 3.39Å; F347-F350 PolarHBondContact O-N 2.86Å
348A91.4Very high91.3Very high58 Ų5885.8 Ų85.848%0.47945%0.451SS..THydrogen-bonded Turntrans-55.9-41.6-17900000111.8K111 E344 A345K111-A348 PolarHBondContact NZ-O 3.31Å; E344-A348 WeakPolarHBondContact O-CA 3.31Å; E344-A348 PolarHBondContact O-N 2.85Å; A345-A348 WeakPolarHBondContact O-CB 3.49Å; A345-A348 PolarHBondContact O-N 2.93Å
349D85.9Confident91.2Very high149 Ų14989.6 Ų89.680%0.79747%0.465SS*.THydrogen-bonded Turntrans-87.3-0-179.8-61.4-37.8000114.4F347F347-D349 PolarHBondContact O-N 3.1Å
350F88.1Confident91.5Very high20 Ų2078.7 Ų78.79%0.08843%0.425CS..  trans-69.60170-169-82.4000110.9T88 L89 K92 F110 K111 L116 L118 F347T88-F350 HydrophobicContact CG2-CE2 4.13Å; L89-F350 HydrophobicContact CD2-CB 3.89Å; L89-F350 HydrophobicContact CD2-CD2 3.98Å; L89-F350 HydrophobicContact CD2-CG 4.44Å; K92-F350 HydrophobicContact CB-CE2 4.17Å; K92-F350 HydrophobicContact CD-CD1 4.42Å; K92-F350 HydrophobicContact CD-CD2 3.99Å; K92-F350 HydrophobicContact CD-CE1 4.27Å; K92-F350 HydrophobicContact CD-CE2 3.85Å; K92-F350 HydrophobicContact CD-CG 4.28Å; K92-F350 HydrophobicContact CD-CZ 4Å; K92-F350 HydrophobicContact CG-CE2 4.38Å; K92-F350 PolarHBondContact NZ-OXT 3.42Å; F110-F350 VanDerWaalsContact O-CE1 3.26Å; F110-F350 WeakPolarHBondContact O-CE1 3.23Å; K111-F350 HydrophobicContact CB-CD1 4.18Å; K111-F350 HydrophobicContact CD-CB 4.14Å; K111-F350 HydrophobicContact CD-CD1 4.38Å; K111-F350 PolarHBondContact NZ-O 3.3Å; L116-F350 HydrophobicContact CB-CD1 4.27Å; L116-F350 HydrophobicContact CB-CD2 4.33Å; L116-F350 HydrophobicContact CB-CE1 3.88Å; L116-F350 HydrophobicContact CB-CE2 3.93Å; L116-F350 HydrophobicContact CB-CZ 3.69Å; L116-F350 HydrophobicContact CD1-CD2 3.74Å; L116-F350 HydrophobicContact CD1-CE2 3.88Å; L116-F350 HydrophobicContact CD1-CG 4.23Å; L116-F350 HydrophobicContact CD1-CZ 4.48Å; L116-F350 HydrophobicContact CD2-CB 4.17Å; L116-F350 HydrophobicContact CD2-CD1 3.86Å; L116-F350 HydrophobicContact CD2-CD2 4.16Å; L116-F350 HydrophobicContact CD2-CE1 4.34Å; L116-F350 HydrophobicContact CD2-CG 3.77Å; L116-F350 HydrophobicContact CG-CD2 4.29Å; L116-F350 HydrophobicContact CG-CE2 4.34Å; L116-F350 HydrophobicContact CG-CG 4.38Å; L116-F350 HydrophobicContact CG-CZ 4.49Å; L118-F350 HydrophobicContact CD2-CE1 4.48Å; L118-F350 HydrophobicContact CD2-CE2 4.22Å; L118-F350 HydrophobicContact CD2-CZ 3.57Å; L118-F350 HydrophobicContact CG-CZ 4.16Å; F347-F350 HydrophobicContact CB-CB 4.14Å; F347-F350 WeakPolarHBondContact O-CB 3.39Å; F347-F350 PolarHBondContact O-N 2.86Å

Retrieved 350 of 350 residues in 152.3 ms (Link to these results)

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