X2JJC8_DROME Loading...

Open rectifier K[+] channel 1, isoform C

AlphaFold DB , UniProt , Accession X2JJC8, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ork1, Length 1,019 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
1M64.9Low88.2Confident82 Ų8297 Ų9740%0.40449%0.489SS..  0168.30-77.4175.4154.700109.1L9 L818 F821M1-L9 HydrophobicContact CE-CD1 4.16Å; M1-L818 HydrophobicContact CE-CD2 4.09Å; M1-F821 HydrophobicContact CE-CE2 4.18Å; M1-F821 HydrophobicContact CE-CZ 4.42Å; M1-F821 HydrophobicContact SD-CZ 4.4Å
2S88.1Confident88.7Confident51 Ų51100.6 Ų100.636%0.35750%0.499SS..  trans-77.6148.8162.150.40000110.1N4 R5 W6S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 PolarHBondContact O-N 2.87Å; S2-R5 PolarHBondContact O-N 3.44Å; S2-R5 WeakPolarHBondContact OG-CG 3.12Å; S2-W6 PolarHBondContact O-N 2.79Å
3P90.1Very high89.2Confident92 Ų92102.6 Ų102.660%0.59750%0.499SS*.Hα-helixtrans-52.9-46-178.1-28.836000112.9R5 W6 I7P3-R5 PolarHBondContact O-N 2.86Å; P3-W6 WeakPolarHBondContact O-CB 3.32Å; P3-W6 PolarHBondContact O-N 3.22Å; P3-I7 WeakPolarHBondContact O-CG1 3.35Å; P3-I7 PolarHBondContact O-N 3.39Å
4N88.4Confident89.7Confident120 Ų120101.4 Ų101.464%0.64250%0.495SS*.Hα-helixtrans-59.4-33.1-179.5-52.823000112.7S2 L8S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 PolarHBondContact O-N 2.87Å; N4-L8 WeakPolarHBondContact O-CB 3.49Å; N4-L8 WeakPolarHBondContact O-CD1 3.41Å; N4-L8 VanDerWaalsContact O-CG 3.24Å; N4-L8 WeakPolarHBondContact O-CG 3.34Å; N4-L8 PolarHBondContact O-N 2.71Å
5R83.4Confident90.2Very high116 Ų11698.7 Ų98.744%0.43849%0.491SS..Hα-helixtrans-73.1-37.4175.5-79.3179.7169.5136.8-6.5112.1S2 P3 L9S2-R5 PolarHBondContact O-N 3.44Å; S2-R5 WeakPolarHBondContact OG-CG 3.12Å; P3-R5 PolarHBondContact O-N 2.86Å; R5-L9 WeakPolarHBondContact O-CB 3.21Å; R5-L9 PolarHBondContact O-N 3Å
6W91.4Very high90.5Very high148 Ų148102.1 Ų102.156%0.56150%0.497SS*.Hα-helixtrans-67.8-42.7175-178.983.2000111.3S2 P3 L8 L9 L10S2-W6 PolarHBondContact O-N 2.79Å; P3-W6 WeakPolarHBondContact O-CB 3.32Å; P3-W6 PolarHBondContact O-N 3.22Å; W6-L8 PolarHBondContact O-N 3.23Å; W6-L9 PolarHBondContact O-N 3.12Å; W6-L10 HydrophobicContact CH2-CD2 3.79Å; W6-L10 HydrophobicContact CZ2-CD2 4.39Å; W6-L10 HydrophobicContact CZ3-CD2 3.93Å; W6-L10 WeakPolarHBondContact O-CB 3.37Å; W6-L10 PolarHBondContact O-N 2.87Å
7I93.9Very high90.9Very high81 Ų81101.2 Ų101.242%0.41550%0.495SS..Hα-helixtrans-60.8-44.7174.6-65.7167.1000111.1P3 L9 L10 I11P3-I7 WeakPolarHBondContact O-CG1 3.35Å; P3-I7 PolarHBondContact O-N 3.39Å; I7-L9 PolarHBondContact O-N 3.01Å; I7-L10 PolarHBondContact O-N 2.96Å; I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.47Å; I7-I11 PolarHBondContact O-N 3.21Å
8L91.6Very high91.2Very high119 Ų119102.7 Ų102.762%0.62350%0.502SS*.Hα-helixtrans-63.6-38.8176.3-75.5168.3000112.7N4 W6 F12N4-L8 WeakPolarHBondContact O-CB 3.49Å; N4-L8 WeakPolarHBondContact O-CD1 3.41Å; N4-L8 VanDerWaalsContact O-CG 3.24Å; N4-L8 WeakPolarHBondContact O-CG 3.34Å; N4-L8 PolarHBondContact O-N 2.71Å; W6-L8 PolarHBondContact O-N 3.23Å; L8-F12 WeakPolarHBondContact O-CB 3.25Å; L8-F12 PolarHBondContact O-N 3.38Å
9L90Very high91.5Very high95 Ų95104.4 Ų104.450%0.49751%0.507SS..Hα-helixtrans-67.1-39.3175-172.5152.9000111.6M1 R5 W6 I7 F12 Y13M1-L9 HydrophobicContact CE-CD1 4.16Å; R5-L9 WeakPolarHBondContact O-CB 3.21Å; R5-L9 PolarHBondContact O-N 3Å; W6-L9 PolarHBondContact O-N 3.12Å; I7-L9 PolarHBondContact O-N 3.01Å; L9-F12 PolarHBondContact O-N 3.2Å; L9-Y13 WeakPolarHBondContact O-CB 3.47Å; L9-Y13 PolarHBondContact O-N 2.97Å
10L93.2Very high91.7Very high64 Ų64100.3 Ų100.334%0.33549%0.493SS..Hα-helixtrans-64.3-45.2174.9-179.564.8000111.7W6 I7 F12 Y13 I14W6-L10 HydrophobicContact CH2-CD2 3.79Å; W6-L10 HydrophobicContact CZ2-CD2 4.39Å; W6-L10 HydrophobicContact CZ3-CD2 3.93Å; W6-L10 WeakPolarHBondContact O-CB 3.37Å; W6-L10 PolarHBondContact O-N 2.87Å; I7-L10 PolarHBondContact O-N 2.96Å; L10-F12 VanDerWaalsContact C-N 3.33Å; L10-F12 PolarHBondContact O-N 3.1Å; L10-Y13 PolarHBondContact O-N 2.93Å; L10-I14 HydrophobicContact CD1-CD1 4.11Å; L10-I14 HydrophobicContact CD1-CG1 4.41Å; L10-I14 HydrophobicContact CG-CD1 3.92Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.29Å; L10-I14 PolarHBondContact O-N 2.69Å
11I95.4Very high91.9Very high99 Ų9998.2 Ų98.251%0.50849%0.492SS..Hα-helixtrans-60.8-43.8175.1-69.7166000110.5I7 I14 S15I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.47Å; I7-I11 PolarHBondContact O-N 3.21Å; I11-I14 PolarHBondContact O-N 3Å; I11-S15 WeakPolarHBondContact O-CB 3.35Å; I11-S15 PolarHBondContact O-N 3.43Å; I11-S15 PolarHBondContact O-OG 3.24Å
12F94.2Very high93.4Very high140 Ų14096.5 Ų96.561%0.61449%0.491SS*.Hα-helixtrans-60.2-47.3175.1177.1-101.8000111.7L8 L9 L10 I14 S15 Y16L8-F12 WeakPolarHBondContact O-CB 3.25Å; L8-F12 PolarHBondContact O-N 3.38Å; L9-F12 PolarHBondContact O-N 3.2Å; L10-F12 VanDerWaalsContact C-N 3.33Å; L10-F12 PolarHBondContact O-N 3.1Å; F12-I14 PolarHBondContact O-N 3.4Å; F12-S15 PolarHBondContact O-N 2.89Å; F12-S15 PolarHBondContact O-OG 3.07Å; F12-Y16 PolarHBondContact O-N 3.37Å
13Y94.8Very high93.8Very high127 Ų12797.4 Ų97.450%0.49849%0.491SS..Hα-helixtrans-61-44.7177178.5-112.9000112.8L9 L10 S15 Y16 L17L9-Y13 WeakPolarHBondContact O-CB 3.47Å; L9-Y13 PolarHBondContact O-N 2.97Å; L10-Y13 PolarHBondContact O-N 2.93Å; Y13-S15 VanDerWaalsContact C-N 3.33Å; Y13-S15 PolarHBondContact O-N 3.21Å; Y13-Y16 WeakPolarHBondContact O-CB 3.13Å; Y13-Y16 PolarHBondContact O-N 3.18Å; Y13-L17 HydrophobicContact CD1-CD1 4.2Å; Y13-L17 HydrophobicContact CE1-CD1 3.61Å; Y13-L17 HydrophobicContact CE1-CG 4.25Å; Y13-L17 HydrophobicContact CE2-CD1 4.42Å; Y13-L17 HydrophobicContact CE2-CD2 4.28Å; Y13-L17 HydrophobicContact CE2-CG 4.23Å; Y13-L17 PolarHBondContact O-N 3.25Å
14I96.7Very high94Very high85 Ų85100.2 Ų100.244%0.43649%0.491SS..Hα-helixtrans-61.1-42.1174.6-68.1166.2000110.7L10 I11 F12 Y16 L17 M18L10-I14 HydrophobicContact CD1-CD1 4.11Å; L10-I14 HydrophobicContact CD1-CG1 4.41Å; L10-I14 HydrophobicContact CG-CD1 3.92Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.29Å; L10-I14 PolarHBondContact O-N 2.69Å; I11-I14 PolarHBondContact O-N 3Å; F12-I14 PolarHBondContact O-N 3.4Å; I14-Y16 VanDerWaalsContact C-N 3.31Å; I14-Y16 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 2.91Å; I14-M18 HydrophobicContact CG2-CG 4.44Å; I14-M18 WeakPolarHBondContact O-CG 3.45Å; I14-M18 PolarHBondContact O-N 3.3Å
15S96.2Very high94.3Very high62 Ų62101.1 Ų101.143%0.43449%0.486SS..Hα-helixtrans-65-34.1176.873.60000113I11 F12 Y13 F19I11-S15 WeakPolarHBondContact O-CB 3.35Å; I11-S15 PolarHBondContact O-N 3.43Å; I11-S15 PolarHBondContact O-OG 3.24Å; F12-S15 PolarHBondContact O-N 2.89Å; F12-S15 PolarHBondContact O-OG 3.07Å; Y13-S15 VanDerWaalsContact C-N 3.33Å; Y13-S15 PolarHBondContact O-N 3.21Å; S15-F19 WeakPolarHBondContact O-CB 3.18Å; S15-F19 PolarHBondContact O-N 3.48Å
16Y96.3Very high94.8Very high153 Ų153103 Ų10360%0.650%0.5SS*.Hα-helixtrans-68.4-42.7174.2178.8-103.2000112F12 Y13 I14 F19 G20F12-Y16 PolarHBondContact O-N 3.37Å; Y13-Y16 WeakPolarHBondContact O-CB 3.13Å; Y13-Y16 PolarHBondContact O-N 3.18Å; I14-Y16 VanDerWaalsContact C-N 3.31Å; I14-Y16 PolarHBondContact O-N 3.48Å; Y16-F19 PolarHBondContact O-N 3.34Å; Y16-G20 PolarHBondContact O-N 3.43Å
17L96.6Very high94.9Very high87 Ų87100.7 Ų100.746%0.45550%0.497SS..Hα-helixtrans-62.5-43.9173-69.3-178.2000112.1Y13 I14 F19 G20 A21Y13-L17 HydrophobicContact CD1-CD1 4.2Å; Y13-L17 HydrophobicContact CE1-CD1 3.61Å; Y13-L17 HydrophobicContact CE1-CG 4.25Å; Y13-L17 HydrophobicContact CE2-CD1 4.42Å; Y13-L17 HydrophobicContact CE2-CD2 4.28Å; Y13-L17 HydrophobicContact CE2-CG 4.23Å; Y13-L17 PolarHBondContact O-N 3.25Å; I14-L17 PolarHBondContact O-N 2.91Å; L17-F19 VanDerWaalsContact C-N 3.31Å; L17-F19 PolarHBondContact O-N 2.91Å; L17-G20 PolarHBondContact O-N 3.41Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.93Å
18M96.5Very high94.9Very high128 Ų128101.6 Ų101.663%0.63150%0.5SS*.Hα-helixtrans-62.7-37.4176.2-73.5-61.4-58.500112.4I14 A22I14-M18 HydrophobicContact CG2-CG 4.44Å; I14-M18 WeakPolarHBondContact O-CG 3.45Å; I14-M18 PolarHBondContact O-N 3.3Å; M18-A22 WeakPolarHBondContact O-CB 3.47Å; M18-A22 PolarHBondContact O-N 3.32Å
19F96.6Very high94.9Very high134 Ų13498.9 Ų98.959%0.58848%0.484SS*.Hα-helixtrans-66.9-45.4174.9179.4-109.3000111.9S15 Y16 L17 A22 I23S15-F19 WeakPolarHBondContact O-CB 3.18Å; S15-F19 PolarHBondContact O-N 3.48Å; Y16-F19 PolarHBondContact O-N 3.34Å; L17-F19 VanDerWaalsContact C-N 3.31Å; L17-F19 PolarHBondContact O-N 2.91Å; F19-A22 PolarHBondContact O-N 3.01Å; F19-I23 HydrophobicContact CD1-CD1 3.98Å; F19-I23 HydrophobicContact CE1-CD1 3.56Å; F19-I23 HydrophobicContact CE2-CD1 4.32Å; F19-I23 HydrophobicContact CZ-CD1 3.75Å; F19-I23 WeakPolarHBondContact O-CG1 3.44Å; F19-I23 PolarHBondContact O-N 3.33Å; F19-I23 VanDerWaalsContact O-N 3.11Å
20G96.3Very high94.9Very high22 Ų2296 Ų9623%0.22748%0.477CS..Hα-helixtrans-61.1-45.4173.900000112.5Y16 L17 A22 I23 Y24Y16-G20 PolarHBondContact O-N 3.43Å; L17-G20 PolarHBondContact O-N 3.41Å; G20-A22 VanDerWaalsContact C-N 3.31Å; G20-A22 PolarHBondContact O-N 3.49Å; G20-I23 PolarHBondContact O-N 3.23Å; G20-I23 VanDerWaalsContact O-N 3.14Å; G20-Y24 VanDerWaalsContact O-CD2 3.24Å; G20-Y24 WeakPolarHBondContact O-CD2 3.38Å; G20-Y24 PolarHBondContact O-N 3.5Å
21A96.3Very high94.8Very high57 Ų5798.8 Ų98.847%0.47149%0.488SS..Hα-helixtrans-60-39.6176.600000112.3L17 Y25L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.93Å; A21-Y25 WeakPolarHBondContact O-CB 3.13Å; A21-Y25 PolarHBondContact O-N 3.3Å
22A96.3Very high94.5Very high46 Ų4697.2 Ų97.238%0.3848%0.479SS..Hα-helixtrans-64.6-39174.800000112.6M18 F19 G20 H26M18-A22 WeakPolarHBondContact O-CB 3.47Å; M18-A22 PolarHBondContact O-N 3.32Å; F19-A22 PolarHBondContact O-N 3.01Å; G20-A22 VanDerWaalsContact C-N 3.31Å; G20-A22 PolarHBondContact O-N 3.49Å; A22-H26 WeakPolarHBondContact O-CB 3.12Å; A22-H26 PolarHBondContact O-CD2 3.44Å; A22-H26 VanDerWaalsContact O-CD2 3.23Å; A22-H26 PolarHBondContact O-N 3.48Å; A22-H26 VanDerWaalsContact O-N 3.11Å
23I96.2Very high94.3Very high71 Ų7195.9 Ų95.936%0.36447%0.473SS..Hα-helixtrans-63.2-56.1176.1-69.6167.1000110.5F19 G20 Y25 H26 I27F19-I23 HydrophobicContact CD1-CD1 3.98Å; F19-I23 HydrophobicContact CE1-CD1 3.56Å; F19-I23 HydrophobicContact CE2-CD1 4.32Å; F19-I23 HydrophobicContact CZ-CD1 3.75Å; F19-I23 WeakPolarHBondContact O-CG1 3.44Å; F19-I23 PolarHBondContact O-N 3.33Å; F19-I23 VanDerWaalsContact O-N 3.11Å; G20-I23 PolarHBondContact O-N 3.23Å; G20-I23 VanDerWaalsContact O-N 3.14Å; I23-Y25 VanDerWaalsContact C-N 3.33Å; I23-Y25 PolarHBondContact O-N 2.82Å; I23-H26 PolarHBondContact O-N 3.46Å; I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 WeakPolarHBondContact O-CG1 3.41Å; I23-I27 PolarHBondContact O-N 3.19Å; I23-I27 VanDerWaalsContact O-N 3.09Å
24Y94Very high94.2Very high150 Ų15093.6 Ų93.659%0.58847%0.469SS*.Hα-helixtrans-64.3-36.5-178.5-70.9-68.5000112.4G20 H26 I27 E28G20-Y24 VanDerWaalsContact O-CD2 3.24Å; G20-Y24 WeakPolarHBondContact O-CD2 3.38Å; G20-Y24 PolarHBondContact O-N 3.5Å; Y24-H26 VanDerWaalsContact C-N 3.27Å; Y24-H26 PolarHBondContact O-N 3Å; Y24-I27 PolarHBondContact O-N 3.38Å; Y24-E28 HydrophobicContact CD1-CG 4.31Å; Y24-E28 WeakPolarHBondContact O-CB 3.23Å; Y24-E28 WeakPolarHBondContact O-CG 3.34Å; Y24-E28 PolarHBondContact O-N 3.36Å
25Y95.1Very high93.8Very high140 Ų14092 Ų9255%0.54947%0.465SS..Hα-helixtrans-64.2-28.9173.4179.4-96.9000113.2A21 I23 H29A21-Y25 WeakPolarHBondContact O-CB 3.13Å; A21-Y25 PolarHBondContact O-N 3.3Å; I23-Y25 VanDerWaalsContact C-N 3.33Å; I23-Y25 PolarHBondContact O-N 2.82Å; Y25-H29 HydrophobicContact CD2-CB 4.2Å; Y25-H29 AromaticContact CD2-CD2 3.97Å; Y25-H29 HydrophobicContact CE2-CB 4.32Å; Y25-H29 AromaticContact CE2-CD2 3.24Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.36Å; Y25-H29 AromaticContact CE2-CG 3.78Å; Y25-H29 AromaticContact CZ-CD2 3.39Å; Y25-H29 WeakPolarHBondContact O-CB 3.41Å; Y25-H29 PolarHBondContact OH-CD2 3.04Å
26H93.6Very high93.4Very high155 Ų15595.6 Ų95.672%0.71847%0.469SS*.Hα-helixtrans-85.7-20.4176.4-84.7-63.8000114.3A22 I23 Y24A22-H26 WeakPolarHBondContact O-CB 3.12Å; A22-H26 PolarHBondContact O-CD2 3.44Å; A22-H26 VanDerWaalsContact O-CD2 3.23Å; A22-H26 PolarHBondContact O-N 3.48Å; A22-H26 VanDerWaalsContact O-N 3.11Å; I23-H26 PolarHBondContact O-N 3.46Å; Y24-H26 VanDerWaalsContact C-N 3.27Å; Y24-H26 PolarHBondContact O-N 3Å
27I93.7Very high92.9Very high99 Ų9990.4 Ų90.451%0.50846%0.458SS..Hα-helixtrans-91.4-64.9176.8-62.4171.7000110I23 Y24 H29 G30I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 WeakPolarHBondContact O-CG1 3.41Å; I23-I27 PolarHBondContact O-N 3.19Å; I23-I27 VanDerWaalsContact O-N 3.09Å; Y24-I27 PolarHBondContact O-N 3.38Å; I27-H29 PolarHBondContact O-N 3.36Å; I27-G30 PolarHBondContact O-N 3.17Å
28E93.9Very high92.5Very high101 Ų10191.5 Ų91.547%0.47246%0.46SS..Hα-helixtrans-71.2-32.5-168.2-52.4-53.8145.900113.2Y24 G30 E31 E32Y24-E28 HydrophobicContact CD1-CG 4.31Å; Y24-E28 WeakPolarHBondContact O-CB 3.23Å; Y24-E28 WeakPolarHBondContact O-CG 3.34Å; Y24-E28 PolarHBondContact O-N 3.36Å; E28-G30 PolarHBondContact O-N 2.91Å; E28-G30 VanDerWaalsContact O-N 3.15Å; E28-E31 PolarHBondContact O-N 3.2Å; E28-E32 VanDerWaalsContact O-CB 3.27Å; E28-E32 WeakPolarHBondContact O-CB 3.28Å; E28-E32 PolarHBondContact O-N 2.84Å
29H92.1Very high91.8Very high62 Ų6291 Ų9129%0.28746%0.457SS..Hα-helixtrans-73.2-5.3-175.2-165.847.8000113.7Y25 I27 E32 K33Y25-H29 HydrophobicContact CD2-CB 4.2Å; Y25-H29 AromaticContact CD2-CD2 3.97Å; Y25-H29 HydrophobicContact CE2-CB 4.32Å; Y25-H29 AromaticContact CE2-CD2 3.24Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.36Å; Y25-H29 AromaticContact CE2-CG 3.78Å; Y25-H29 AromaticContact CZ-CD2 3.39Å; Y25-H29 WeakPolarHBondContact O-CB 3.41Å; Y25-H29 PolarHBondContact OH-CD2 3.04Å; I27-H29 PolarHBondContact O-N 3.36Å; H29-E32 IonicContact CE1-OE2 3.67Å; H29-E32 PolarHBondContact CE1-OE2 3.12Å; H29-E32 IonicContact ND1-OE2 3.93Å; H29-E32 PolarHBondContact ND1-OE2 2.85Å; H29-E32 IonicContact NE2-OE2 3.92Å; H29-K33 PolarHBondContact CD2-NZ 2.61Å; H29-K33 WeakPolarHBondContact O-CG 3.43Å; H29-K33 PolarHBondContact O-NZ 3.45Å
30G89.6Confident90.8Very high35 Ų3592.4 Ų92.436%0.36146%0.458SS..Hα-helixtrans-76-64.8164.200000110.1I27 E28 E32 K33 I34I27-G30 PolarHBondContact O-N 3.17Å; E28-G30 PolarHBondContact O-N 2.91Å; E28-G30 VanDerWaalsContact O-N 3.15Å; G30-E32 VanDerWaalsContact C-N 3.34Å; G30-E32 PolarHBondContact O-N 3.44Å; G30-K33 WeakPolarHBondContact O-CB 3.16Å; G30-K33 PolarHBondContact O-N 3.15Å; G30-I34 PolarHBondContact O-N 3.12Å
31E90.1Very high90.2Very high122 Ų12298.3 Ų98.357%0.5748%0.477SS*.Hα-helixtrans-59.7-39-178.4-56.3-49.3131.200112.9E28 K33 I34 S35E28-E31 PolarHBondContact O-N 3.2Å; E31-K33 PolarHBondContact O-N 3.24Å; E31-I34 PolarHBondContact O-N 3.25Å; E31-I34 VanDerWaalsContact O-N 3.11Å; E31-S35 WeakPolarHBondContact O-CB 3.47Å; E31-S35 PolarHBondContact O-N 2.9Å
32E90.6Very high89.3Confident66 Ų6698 Ų9831%0.30847%0.474SS..Hα-helixtrans-55.6-36.7175.2-173.4-163.3-156.700112E28 H29 G30 R36E28-E32 VanDerWaalsContact O-CB 3.27Å; E28-E32 WeakPolarHBondContact O-CB 3.28Å; E28-E32 PolarHBondContact O-N 2.84Å; H29-E32 IonicContact CE1-OE2 3.67Å; H29-E32 PolarHBondContact CE1-OE2 3.12Å; H29-E32 IonicContact ND1-OE2 3.93Å; H29-E32 PolarHBondContact ND1-OE2 2.85Å; H29-E32 IonicContact NE2-OE2 3.92Å; G30-E32 VanDerWaalsContact C-N 3.34Å; G30-E32 PolarHBondContact O-N 3.44Å; E32-R36 VanDerWaalsContact O-CB 3.26Å; E32-R36 WeakPolarHBondContact O-CB 3.22Å; E32-R36 WeakPolarHBondContact O-CG 3.31Å; E32-R36 PolarHBondContact O-N 3.46Å; E32-R36 VanDerWaalsContact O-N 3.07Å; E32-R36 IonicContact OE1-CZ 3.37Å; E32-R36 IonicContact OE1-NH1 2.63Å; E32-R36 PolarHBondContact OE1-NH1 3.48Å; E32-R36 IonicContact OE1-NH2 2.66Å; E32-R36 PolarHBondContact OE1-NH2 3.5Å; E32-R36 IonicContact OE2-NH1 2.69Å
33K89.8Confident88.2Confident111 Ų111102.7 Ų102.748%0.48349%0.489SS..Hα-helixtrans-74.9-39.6177.6-68.7-171.8-168.6820112.2H29 G30 E31 A37H29-K33 PolarHBondContact CD2-NZ 2.61Å; H29-K33 WeakPolarHBondContact O-CG 3.43Å; H29-K33 PolarHBondContact O-NZ 3.45Å; G30-K33 WeakPolarHBondContact O-CB 3.16Å; G30-K33 PolarHBondContact O-N 3.15Å; E31-K33 PolarHBondContact O-N 3.24Å; K33-A37 VanDerWaalsContact O-CB 3.24Å; K33-A37 WeakPolarHBondContact O-CB 3.09Å; K33-A37 PolarHBondContact O-N 3.16Å
34I91.3Very high87.1Confident80 Ų80103.8 Ų103.841%0.4149%0.494SS..Hα-helixtrans-65.9-54.9179.3-63.1170.4000108.5G30 E31 R36 A37 E38G30-I34 PolarHBondContact O-N 3.12Å; E31-I34 PolarHBondContact O-N 3.25Å; E31-I34 VanDerWaalsContact O-N 3.11Å; I34-R36 PolarHBondContact O-N 3.4Å; I34-A37 CarbonylContact O-C 3.53Å; I34-A37 WeakPolarHBondContact O-CA 3.42Å; I34-A37 WeakPolarHBondContact O-CB 3.43Å; I34-A37 PolarHBondContact O-N 2.89Å; I34-E38 WeakPolarHBondContact CG2-OE1 3.44Å; I34-E38 WeakPolarHBondContact O-CG 3.29Å; I34-E38 PolarHBondContact O-N 3.44Å
35S88.9Confident86.4Confident51 Ų5199.1 Ų99.136%0.35749%0.487SS..Hα-helixtrans-58.5-42.7178.6-1720000112.7E31 A37 E38 Q39E31-S35 WeakPolarHBondContact O-CB 3.47Å; E31-S35 PolarHBondContact O-N 2.9Å; S35-A37 PolarHBondContact O-N 3.1Å; S35-E38 PolarHBondContact O-N 2.83Å; S35-Q39 WeakPolarHBondContact O-CB 3.28Å; S35-Q39 VanDerWaalsContact O-CG 3.23Å; S35-Q39 WeakPolarHBondContact O-CG 3.36Å; S35-Q39 PolarHBondContact O-N 3.37Å; S35-Q39 PolarHBondContact OG-NE2 3.28Å
36R86.7Confident85.5Confident138 Ų13895.2 Ų95.252%0.52148%0.475SS..Hα-helixtrans-69.2-29.2173.8-77-169.8-177.2130.415.5113.9E32 I34 R40E32-R36 VanDerWaalsContact O-CB 3.26Å; E32-R36 WeakPolarHBondContact O-CB 3.22Å; E32-R36 WeakPolarHBondContact O-CG 3.31Å; E32-R36 PolarHBondContact O-N 3.46Å; E32-R36 VanDerWaalsContact O-N 3.07Å; E32-R36 IonicContact OE1-CZ 3.37Å; E32-R36 IonicContact OE1-NH1 2.63Å; E32-R36 PolarHBondContact OE1-NH1 3.48Å; E32-R36 IonicContact OE1-NH2 2.66Å; E32-R36 PolarHBondContact OE1-NH2 3.5Å; E32-R36 IonicContact OE2-NH1 2.69Å; I34-R36 PolarHBondContact O-N 3.4Å; R36-R40 VanDerWaalsContact O-CB 3.28Å; R36-R40 WeakPolarHBondContact O-CB 3.47Å; R36-R40 PolarHBondContact O-N 2.77Å; R36-R40 VanDerWaalsContact O-N 3.09Å
37A86.8Confident84.5Confident44 Ų4492.3 Ų92.336%0.36447%0.465SS..Hα-helixtrans-71.1-37.8173.300000111K33 I34 S35 K41K33-A37 VanDerWaalsContact O-CB 3.24Å; K33-A37 WeakPolarHBondContact O-CB 3.09Å; K33-A37 PolarHBondContact O-N 3.16Å; I34-A37 CarbonylContact O-C 3.53Å; I34-A37 WeakPolarHBondContact O-CA 3.42Å; I34-A37 WeakPolarHBondContact O-CB 3.43Å; I34-A37 PolarHBondContact O-N 2.89Å; S35-A37 PolarHBondContact O-N 3.1Å; A37-K41 WeakPolarHBondContact O-CB 3.33Å; A37-K41 VanDerWaalsContact O-CG 3.26Å; A37-K41 WeakPolarHBondContact O-CG 3.28Å; A37-K41 PolarHBondContact O-N 3.35Å
38E89.3Confident83.5Confident109 Ų10993.7 Ų93.751%0.50947%0.469SS..Hα-helixtrans-69-47.9175.2-71.7168.2173.900112.1I34 S35 R40 K41 A42I34-E38 WeakPolarHBondContact CG2-OE1 3.44Å; I34-E38 WeakPolarHBondContact O-CG 3.29Å; I34-E38 PolarHBondContact O-N 3.44Å; S35-E38 PolarHBondContact O-N 2.83Å; E38-R40 VanDerWaalsContact C-N 3.26Å; E38-R40 PolarHBondContact O-N 3.11Å; E38-K41 WeakPolarHBondContact O-CB 3.32Å; E38-K41 PolarHBondContact O-N 3.12Å; E38-K41 VanDerWaalsContact O-N 3.1Å; E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.38Å
39Q80.6Confident82.4Confident119 Ų11993.1 Ų93.156%0.55646%0.463SS*.Hα-helixtrans-55.5-41.9172.3-72.9168.63.100111.6S35 Q43S35-Q39 WeakPolarHBondContact O-CB 3.28Å; S35-Q39 VanDerWaalsContact O-CG 3.23Å; S35-Q39 WeakPolarHBondContact O-CG 3.36Å; S35-Q39 PolarHBondContact O-N 3.37Å; S35-Q39 PolarHBondContact OG-NE2 3.28Å; Q39-Q43 WeakPolarHBondContact O-CB 3.2Å; Q39-Q43 PolarHBondContact O-N 3.15Å
40R76.5Confident81.3Confident163 Ų16392.1 Ų92.162%0.61546%0.459SS*.Hα-helixtrans-67.7-41.1175.4-173.4-178.6-61.51613.6112.5R36 E38 Q43 I44R36-R40 VanDerWaalsContact O-CB 3.28Å; R36-R40 WeakPolarHBondContact O-CB 3.47Å; R36-R40 PolarHBondContact O-N 2.77Å; R36-R40 VanDerWaalsContact O-N 3.09Å; E38-R40 VanDerWaalsContact C-N 3.26Å; E38-R40 PolarHBondContact O-N 3.11Å; R40-Q43 PolarHBondContact O-N 2.9Å; R40-I44 HydrophobicContact CG-CD1 3.89Å; R40-I44 HydrophobicContact CG-CG1 4.44Å; R40-I44 WeakPolarHBondContact O-CB 3.39Å; R40-I44 VanDerWaalsContact O-CG1 3.26Å; R40-I44 WeakPolarHBondContact O-CG1 3.37Å; R40-I44 PolarHBondContact O-N 3.06Å
41K82.7Confident80.2Confident145 Ų14596.1 Ų96.163%0.6347%0.472SS*.Hα-helixtrans-60.7-46.7174.4-76.7168.5179-179.60111A37 E38 I44 A45A37-K41 WeakPolarHBondContact O-CB 3.33Å; A37-K41 VanDerWaalsContact O-CG 3.26Å; A37-K41 WeakPolarHBondContact O-CG 3.28Å; A37-K41 PolarHBondContact O-N 3.35Å; E38-K41 WeakPolarHBondContact O-CB 3.32Å; E38-K41 PolarHBondContact O-N 3.12Å; E38-K41 VanDerWaalsContact O-N 3.1Å; K41-I44 PolarHBondContact O-N 3.45Å; K41-A45 WeakPolarHBondContact O-CB 3.25Å; K41-A45 PolarHBondContact O-N 3.24Å
42A78.4Confident79.2Confident50 Ų5097.9 Ų97.941%0.41348%0.48SS..Hα-helixtrans-61-45.1176.800000111.4E38 I44 A45 I46E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.38Å; A42-I44 PolarHBondContact O-N 3.45Å; A42-A45 PolarHBondContact O-N 3.08Å; A42-I46 WeakPolarHBondContact O-CB 3.28Å; A42-I46 WeakPolarHBondContact O-CD1 3.22Å; A42-I46 VanDerWaalsContact O-CG1 3.24Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.15Å
43Q73.4Confident78.1Confident145 Ų14597.5 Ų97.568%0.67848%0.478SS*.Hα-helixtrans-63.9-37.8176.4-170.8176.620.200112.8Q39 R40 N47Q39-Q43 WeakPolarHBondContact O-CB 3.2Å; Q39-Q43 PolarHBondContact O-N 3.15Å; R40-Q43 PolarHBondContact O-N 2.9Å; Q43-N47 VanDerWaalsContact O-CB 3.28Å; Q43-N47 WeakPolarHBondContact O-CB 3.44Å; Q43-N47 PolarHBondContact O-N 3.23Å; Q43-N47 VanDerWaalsContact O-N 3.07Å
44I71.9Confident76.9Confident94 Ų9494.4 Ų94.448%0.48247%0.467SS..Hα-helixtrans-66.3-49174-70.5167.3000110.1R40 K41 A42 I46 N47 E48R40-I44 HydrophobicContact CG-CD1 3.89Å; R40-I44 HydrophobicContact CG-CG1 4.44Å; R40-I44 WeakPolarHBondContact O-CB 3.39Å; R40-I44 VanDerWaalsContact O-CG1 3.26Å; R40-I44 WeakPolarHBondContact O-CG1 3.37Å; R40-I44 PolarHBondContact O-N 3.06Å; K41-I44 PolarHBondContact O-N 3.45Å; A42-I44 PolarHBondContact O-N 3.45Å; I44-I46 PolarHBondContact O-N 2.89Å; I44-N47 CarbonylContact O-C 3.56Å; I44-N47 PolarHBondContact O-N 2.92Å; I44-N47 VanDerWaalsContact O-N 3.09Å; I44-E48 VanDerWaalsContact O-CB 3.26Å; I44-E48 WeakPolarHBondContact O-CB 3.32Å; I44-E48 PolarHBondContact O-N 3.01Å
45A80.1Confident75.6Confident52 Ų5293.3 Ų93.343%0.4348%0.476SS..Hα-helixtrans-61.7-39.5179.900000112.8K41 A42 E48 Y49K41-A45 WeakPolarHBondContact O-CB 3.25Å; K41-A45 PolarHBondContact O-N 3.24Å; A42-A45 PolarHBondContact O-N 3.08Å; A45-E48 PolarHBondContact O-N 2.94Å; A45-Y49 VanDerWaalsContact O-CB 3.24Å; A45-Y49 WeakPolarHBondContact O-CB 3.37Å; A45-Y49 PolarHBondContact O-N 3.26Å
46I75.9Confident74.4Confident59 Ų5999.1 Ų99.130%0.30350%0.503SS..Hα-helixtrans-63.7-43.2172.9-69.4164000110.5A42 I44 L50A42-I46 WeakPolarHBondContact O-CB 3.28Å; A42-I46 WeakPolarHBondContact O-CD1 3.22Å; A42-I46 VanDerWaalsContact O-CG1 3.24Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.15Å; I44-I46 PolarHBondContact O-N 2.89Å; I46-L50 HydrophobicContact CG2-CD1 3.94Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.46Å; I46-L50 WeakPolarHBondContact O-CG 3.2Å; I46-L50 PolarHBondContact O-N 2.91Å
47N71.6Confident73.1Confident94 Ų9497 Ų9750%0.50350%0.497SS..Hα-helixtrans-71.1-32.1178.9-17488.6000112.9Q43 I44 L51Q43-N47 VanDerWaalsContact O-CB 3.28Å; Q43-N47 WeakPolarHBondContact O-CB 3.44Å; Q43-N47 PolarHBondContact O-N 3.23Å; Q43-N47 VanDerWaalsContact O-N 3.07Å; I44-N47 CarbonylContact O-C 3.56Å; I44-N47 PolarHBondContact O-N 2.92Å; I44-N47 VanDerWaalsContact O-N 3.09Å; N47-L51 WeakPolarHBondContact ND2-CD1 3.29Å; N47-L51 WeakPolarHBondContact O-CB 3.24Å; N47-L51 WeakPolarHBondContact O-CG 3.47Å; N47-L51 PolarHBondContact O-N 2.92Å
48E73.9Confident72.1Confident127 Ų127100.5 Ų100.559%0.59351%0.51SS*.Hα-helixtrans-70.2-48.2175.4-172.4165.1-154.300110.4I44 A45 L50 L51 E52I44-E48 VanDerWaalsContact O-CB 3.26Å; I44-E48 WeakPolarHBondContact O-CB 3.32Å; I44-E48 PolarHBondContact O-N 3.01Å; A45-E48 PolarHBondContact O-N 2.94Å; E48-L50 PolarHBondContact O-N 3.44Å; E48-L51 PolarHBondContact O-N 3.03Å; E48-L51 VanDerWaalsContact O-N 3.13Å; E48-E52 PolarHBondContact O-N 3.11Å
49Y71Confident70.9Confident89 Ų8999.4 Ų99.435%0.34951%0.511SS..Hα-helixtrans-59.8-42172.3-179.2-118.9000112.6A45 E52 E53 I65 I69A45-Y49 VanDerWaalsContact O-CB 3.24Å; A45-Y49 WeakPolarHBondContact O-CB 3.37Å; A45-Y49 PolarHBondContact O-N 3.26Å; Y49-E52 PolarHBondContact O-N 3.39Å; Y49-E53 WeakPolarHBondContact O-CB 3.23Å; Y49-E53 PolarHBondContact O-N 3.27Å; Y49-I65 HydrophobicContact CE1-CG2 4.2Å; Y49-I69 HydrophobicContact CD1-CD1 4.44Å
50L68.3Low70.1Confident41 Ų4198.6 Ų98.622%0.21551%0.514CS..Hα-helixtrans-62.6-41.1173-77.9168.8000112I46 E48 L54 I65 L66 I69I46-L50 HydrophobicContact CG2-CD1 3.94Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.46Å; I46-L50 WeakPolarHBondContact O-CG 3.2Å; I46-L50 PolarHBondContact O-N 2.91Å; E48-L50 PolarHBondContact O-N 3.44Å; L50-L54 HydrophobicContact CB-CD1 4.37Å; L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 WeakPolarHBondContact O-CB 3.29Å; L50-L54 VanDerWaalsContact O-CD1 3.28Å; L50-L54 WeakPolarHBondContact O-CD1 3.23Å; L50-L54 PolarHBondContact O-N 3.29Å; L50-I65 HydrophobicContact CD2-CG2 4.02Å; L50-L66 HydrophobicContact CD2-CD2 4.13Å; L50-I69 HydrophobicContact CD1-CD1 4.4Å; L50-I69 HydrophobicContact CD2-CD1 3.57Å; L50-I69 HydrophobicContact CG-CD1 3.92Å
51L65.6Low69.6Low119 Ų11992.7 Ų92.762%0.62350%0.496SS*.Hα-helixtrans-70.5-35.5179.1-76.8169.1000112.9N47 E48 G55N47-L51 WeakPolarHBondContact ND2-CD1 3.29Å; N47-L51 WeakPolarHBondContact O-CB 3.24Å; N47-L51 WeakPolarHBondContact O-CG 3.47Å; N47-L51 PolarHBondContact O-N 2.92Å; E48-L51 PolarHBondContact O-N 3.03Å; E48-L51 VanDerWaalsContact O-N 3.13Å; L51-G55 PolarHBondContact O-N 3.49Å
52E69.9Low68.7Low160 Ų16088.8 Ų88.875%0.74848%0.48SS*.Hα-helixtrans-67.3-46175.3-174.6172.3-158.600111.5E48 Y49E48-E52 PolarHBondContact O-N 3.11Å; Y49-E52 PolarHBondContact O-N 3.39Å
53E68.4Low68Low57 Ų5791.1 Ų91.127%0.26649%0.486SS..Hα-helixtrans-88.5-28.3-172.1-164.176.5-121.400113.6Y49 K57 I65Y49-E53 WeakPolarHBondContact O-CB 3.23Å; Y49-E53 PolarHBondContact O-N 3.27Å; E53-K57 WeakPolarHBondContact O-CD 3.2Å; E53-K57 IonicContact OE1-NZ 3.44Å; E53-K57 PolarHBondContact OE1-NZ 3.3Å; E53-I65 HydrophobicContact CB-CD1 4Å; E53-I65 HydrophobicContact CG-CD1 3.3Å; E53-I65 HydrophobicContact CG-CG1 3.76Å
54L63.8Low67.9Low46 Ų4688.3 Ų88.324%0.24147%0.473CS..Hα-helixtrans-89.1-10.7175.4-76.774.5000113.8L50 D56 K57 Q62 I65L50-L54 HydrophobicContact CB-CD1 4.37Å; L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 WeakPolarHBondContact O-CB 3.29Å; L50-L54 VanDerWaalsContact O-CD1 3.28Å; L50-L54 WeakPolarHBondContact O-CD1 3.23Å; L50-L54 PolarHBondContact O-N 3.29Å; L54-D56 VanDerWaalsContact C-N 3.25Å; L54-D56 PolarHBondContact O-N 3.19Å; L54-D56 VanDerWaalsContact O-N 3.12Å; L54-K57 PolarHBondContact O-N 2.84Å; L54-Q62 HydrophobicContact CD2-CB 4.15Å; L54-Q62 HydrophobicContact CD2-CG 3.9Å; L54-Q62 HydrophobicContact CG-CB 4.45Å; L54-Q62 HydrophobicContact CG-CG 3.99Å; L54-I65 HydrophobicContact CD1-CB 4.47Å; L54-I65 HydrophobicContact CD1-CD1 3.71Å; L54-I65 HydrophobicContact CD1-CG2 4.06Å; L54-I65 HydrophobicContact CG-CD1 4.4Å
55G63.9Low67.8Low58 Ų5884.2 Ų84.260%0.59845%0.452SS*.THydrogen-bonded Turntrans-53-37.5-171.300000115.1L51L51-G55 PolarHBondContact O-N 3.49Å
56D63.4Low67.1Low172 Ų17283.4 Ų83.492%0.9244%0.44SS*.THydrogen-bonded Turntrans-122.58.8-176.3-77-45.4000114.1L54L54-D56 VanDerWaalsContact C-N 3.25Å; L54-D56 PolarHBondContact O-N 3.19Å; L54-D56 VanDerWaalsContact O-N 3.12Å
57K58.8Low66.7Low94 Ų9486.2 Ų86.241%0.40945%0.452SS..  trans-114.6145.9-162.6-67.2-167.5-176.1174.60117E53 L54 T61 Q62E53-K57 WeakPolarHBondContact O-CD 3.2Å; E53-K57 IonicContact OE1-NZ 3.44Å; E53-K57 PolarHBondContact OE1-NZ 3.3Å; L54-K57 PolarHBondContact O-N 2.84Å; K57-T61 HydrophobicContact CD-CG2 4.16Å; K57-Q62 PolarHBondContact O-NE2 3.14Å
58N67.5Low66.4Low117 Ų11788.6 Ų88.663%0.62645%0.454SS*.  trans-73.6160-175.7-161.97.4000112.2T60 T61N58-T60 VanDerWaalsContact C-N 3.3Å; N58-T60 PolarHBondContact O-N 2.94Å; N58-T60 VanDerWaalsContact O-N 3.12Å; N58-T61 PolarHBondContact O-N 3.47Å; N58-T61 PolarHBondContact O-OG1 3.3Å
59T62.2Low66.2Low87 Ų8783.2 Ų83.253%0.53443%0.429SS..Hα-helixtrans-52.8-40-169.547.30000114.5T61 Q62 D63T59-T61 PolarHBondContact O-N 2.82Å; T59-Q62 VanDerWaalsContact O-CB 3.29Å; T59-Q62 WeakPolarHBondContact O-CB 3.3Å; T59-Q62 PolarHBondContact O-N 2.77Å; T59-D63 PolarHBondContact O-N 3.41Å
60T63.8Low66Low102 Ų10279.9 Ų79.963%0.62642%0.418SS*.Hα-helixtrans-62.4-27.5-179.953.90000114.2N58N58-T60 VanDerWaalsContact C-N 3.3Å; N58-T60 PolarHBondContact O-N 2.94Å; N58-T60 VanDerWaalsContact O-N 3.12Å
61T67Low66Low38 Ų3883 Ų8323%0.23344%0.435CS..Hα-helixtrans-80.7-28.6175.1-9.70000111.2K57 N58 T59 D63 E64 I65K57-T61 HydrophobicContact CD-CG2 4.16Å; N58-T61 PolarHBondContact O-N 3.47Å; N58-T61 PolarHBondContact O-OG1 3.3Å; T59-T61 PolarHBondContact O-N 2.82Å; T61-D63 VanDerWaalsContact C-N 3.33Å; T61-D63 PolarHBondContact O-N 2.99Å; T61-E64 PolarHBondContact O-N 3.44Å; T61-I65 WeakPolarHBondContact O-CD1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.05Å
62Q63.2Low65.9Low64 Ų6486.9 Ų86.930%0.29944%0.443SS..Hα-helixtrans-61.4-44.2173.7-47.5-168.5-14.200110.4L54 K57 T59 E64 I65 L66L54-Q62 HydrophobicContact CD2-CB 4.15Å; L54-Q62 HydrophobicContact CD2-CG 3.9Å; L54-Q62 HydrophobicContact CG-CB 4.45Å; L54-Q62 HydrophobicContact CG-CG 3.99Å; K57-Q62 PolarHBondContact O-NE2 3.14Å; T59-Q62 VanDerWaalsContact O-CB 3.29Å; T59-Q62 WeakPolarHBondContact O-CB 3.3Å; T59-Q62 PolarHBondContact O-N 2.77Å; Q62-E64 PolarHBondContact O-N 3.33Å; Q62-I65 PolarHBondContact O-N 2.86Å; Q62-L66 HydrophobicContact CB-CD1 4.4Å; Q62-L66 WeakPolarHBondContact O-CB 3.42Å; Q62-L66 VanDerWaalsContact O-CD1 3.25Å; Q62-L66 WeakPolarHBondContact O-CD1 3.25Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.43Å
63D63.9Low65.5Low98 Ų9881.4 Ų81.452%0.52442%0.422SS..Hα-helixtrans-60.5-43.4175.9-66.1-38.8000112.5T59 T61 I65 L66 Q67T59-D63 PolarHBondContact O-N 3.41Å; T61-D63 VanDerWaalsContact C-N 3.33Å; T61-D63 PolarHBondContact O-N 2.99Å; D63-I65 PolarHBondContact O-N 2.77Å; D63-L66 PolarHBondContact O-N 3.29Å; D63-Q67 WeakPolarHBondContact O-CB 3.42Å; D63-Q67 PolarHBondContact O-N 2.93Å
64E70.9Confident64.9Low87 Ų8786.2 Ų86.241%0.40745%0.449SS..Hα-helixtrans-63.2-41.7176.6-164.7-163.5147.700112.1T61 Q62 Q67 R68T61-E64 PolarHBondContact O-N 3.44Å; Q62-E64 PolarHBondContact O-N 3.33Å; E64-Q67 PolarHBondContact O-N 3.38Å; E64-R68 WeakPolarHBondContact O-CG 3.38Å; E64-R68 PolarHBondContact O-N 3.45Å; E64-R68 IonicContact OE1-CZ 2.87Å; E64-R68 IonicContact OE1-NE 3.87Å; E64-R68 PolarHBondContact OE1-NE 3.04Å; E64-R68 IonicContact OE1-NH2 3.78Å; E64-R68 PolarHBondContact OE1-NH2 3.46Å
65I70Confident64.4Low8 Ų891.1 Ų91.14%0.04147%0.469CS..Hα-helixtrans-65.7-44.2179.1-64155.7000110.3Y49 L50 E53 L54 T61 Q62 D63 Q67 R68 I69Y49-I65 HydrophobicContact CE1-CG2 4.2Å; L50-I65 HydrophobicContact CD2-CG2 4.02Å; E53-I65 HydrophobicContact CB-CD1 4Å; E53-I65 HydrophobicContact CG-CD1 3.3Å; E53-I65 HydrophobicContact CG-CG1 3.76Å; L54-I65 HydrophobicContact CD1-CB 4.47Å; L54-I65 HydrophobicContact CD1-CD1 3.71Å; L54-I65 HydrophobicContact CD1-CG2 4.06Å; L54-I65 HydrophobicContact CG-CD1 4.4Å; T61-I65 WeakPolarHBondContact O-CD1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.05Å; Q62-I65 PolarHBondContact O-N 2.86Å; D63-I65 PolarHBondContact O-N 2.77Å; I65-Q67 VanDerWaalsContact C-N 3.29Å; I65-Q67 PolarHBondContact O-N 2.83Å; I65-R68 PolarHBondContact O-N 3.48Å; I65-I69 HydrophobicContact CG2-CD1 3.86Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.5Å; I65-I69 PolarHBondContact O-N 2.89Å
66L66.7Low63.8Low34 Ų3491.7 Ų91.718%0.17846%0.462CS..Hα-helixtrans-69.7-29.2179.8-63.9160.4000111.5L50 Q62 D63 S70 T78L50-L66 HydrophobicContact CD2-CD2 4.13Å; Q62-L66 HydrophobicContact CB-CD1 4.4Å; Q62-L66 WeakPolarHBondContact O-CB 3.42Å; Q62-L66 VanDerWaalsContact O-CD1 3.25Å; Q62-L66 WeakPolarHBondContact O-CD1 3.25Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.43Å; D63-L66 PolarHBondContact O-N 3.29Å; L66-S70 WeakPolarHBondContact O-CB 3.39Å; L66-S70 PolarHBondContact O-N 2.85Å; L66-T78 HydrophobicContact CB-CG2 3.55Å; L66-T78 WeakPolarHBondContact CB-OG1 3.2Å; L66-T78 HydrophobicContact CD1-CG2 3.71Å; L66-T78 HydrophobicContact CD2-CG2 4.13Å; L66-T78 HydrophobicContact CG-CG2 3.98Å
67Q65.8Low63.4Low118 Ų11887.3 Ų87.355%0.55144%0.441SS*.Hα-helixtrans-67.2-44.7167.1-171.6173.73.400112.3D63 E64 I65 I69 S70 D71D63-Q67 WeakPolarHBondContact O-CB 3.42Å; D63-Q67 PolarHBondContact O-N 2.93Å; E64-Q67 PolarHBondContact O-N 3.38Å; I65-Q67 VanDerWaalsContact C-N 3.29Å; I65-Q67 PolarHBondContact O-N 2.83Å; Q67-I69 VanDerWaalsContact C-N 3.29Å; Q67-I69 PolarHBondContact O-N 2.58Å; Q67-S70 WeakPolarHBondContact O-CB 3.32Å; Q67-S70 PolarHBondContact O-N 2.91Å; Q67-D71 VanDerWaalsContact O-CG 3.28Å; Q67-D71 PolarHBondContact O-N 3.05Å
68R67.3Low62.9Low145 Ų14585.1 Ų85.155%0.54744%0.436SS..Hα-helixtrans-63.6-33.7173.6-68.9-172.3-168.1-159.47.5112.9E64 I65 D71 Y72E64-R68 WeakPolarHBondContact O-CG 3.38Å; E64-R68 PolarHBondContact O-N 3.45Å; E64-R68 IonicContact OE1-CZ 2.87Å; E64-R68 IonicContact OE1-NE 3.87Å; E64-R68 PolarHBondContact OE1-NE 3.04Å; E64-R68 IonicContact OE1-NH2 3.78Å; E64-R68 PolarHBondContact OE1-NH2 3.46Å; I65-R68 PolarHBondContact O-N 3.48Å; R68-D71 PolarHBondContact O-N 3.39Å; R68-Y72 WeakPolarHBondContact O-CB 3.42Å; R68-Y72 PolarHBondContact O-N 3.47Å
69I69.3Low61.8Low13 Ų1386.3 Ų86.37%0.06744%0.441CS..Hα-helixtrans-71.6-35.4174.9-67.4166.8000110.9Y49 L50 I65 Q67 C73 V77Y49-I69 HydrophobicContact CD1-CD1 4.44Å; L50-I69 HydrophobicContact CD1-CD1 4.4Å; L50-I69 HydrophobicContact CD2-CD1 3.57Å; L50-I69 HydrophobicContact CG-CD1 3.92Å; I65-I69 HydrophobicContact CG2-CD1 3.86Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.5Å; I65-I69 PolarHBondContact O-N 2.89Å; Q67-I69 VanDerWaalsContact C-N 3.29Å; Q67-I69 PolarHBondContact O-N 2.58Å; I69-C73 VanDerWaalsContact O-CB 3.32Å; I69-C73 WeakPolarHBondContact O-CB 3.45Å; I69-C73 PolarHBondContact O-N 3.02Å; I69-C73 VanDerWaalsContact O-N 3.08Å; I69-C73 PolarHBondContact O-SG 2.91Å; I69-V77 HydrophobicContact CG2-CB 4.15Å; I69-V77 HydrophobicContact CG2-CG1 4.23Å; I69-V77 HydrophobicContact CG2-CG2 3.88Å
70S66.3Low60.9Low19 Ų1986.6 Ų86.613%0.13345%0.445CS..Hα-helixtrans-53.9-53.7167.7154.40000111.1L66 Q67 Y72 C73 D74 K75 P76L66-S70 WeakPolarHBondContact O-CB 3.39Å; L66-S70 PolarHBondContact O-N 2.85Å; Q67-S70 WeakPolarHBondContact O-CB 3.32Å; Q67-S70 PolarHBondContact O-N 2.91Å; S70-Y72 VanDerWaalsContact C-N 3.35Å; S70-Y72 PolarHBondContact O-N 3.13Å; S70-C73 PolarHBondContact O-N 2.99Å; S70-D74 PolarHBondContact O-N 3.37Å; S70-K75 WeakPolarHBondContact CA-O 3.44Å; S70-K75 PolarHBondContact O-N 3.1Å; S70-P76 WeakPolarHBondContact OG-CA 3.44Å
71D67.3Low60Low107 Ų10784.8 Ų84.857%0.57244%0.435SS*.Hα-helixtrans-68.5-33.6-175.4-61.4-8.4000111.9Q67 R68Q67-D71 VanDerWaalsContact O-CG 3.28Å; Q67-D71 PolarHBondContact O-N 3.05Å; R68-D71 PolarHBondContact O-N 3.39Å
72Y64.5Low58.7Low201 Ų20187.9 Ų87.979%0.78845%0.454SS*.Hα-helixtrans-75-23.3175.8-172.5-98.7000114R68 S70R68-Y72 WeakPolarHBondContact O-CB 3.42Å; R68-Y72 PolarHBondContact O-N 3.47Å; S70-Y72 VanDerWaalsContact C-N 3.35Å; S70-Y72 PolarHBondContact O-N 3.13Å
73C61.4Low57.9Low44 Ų4494 Ų9430%0.29748%0.475SS..THydrogen-bonded Turntrans-93.70.5-178.9-67.90000114.4I69 S70 K75I69-C73 VanDerWaalsContact O-CB 3.32Å; I69-C73 WeakPolarHBondContact O-CB 3.45Å; I69-C73 PolarHBondContact O-N 3.02Å; I69-C73 VanDerWaalsContact O-N 3.08Å; I69-C73 PolarHBondContact O-SG 2.91Å; S70-C73 PolarHBondContact O-N 2.99Å; C73-K75 HydrophobicContact CB-CB 4.24Å; C73-K75 WeakPolarHBondContact O-CB 3.38Å; C73-K75 WeakPolarHBondContact O-CG 3.31Å; C73-K75 PolarHBondContact O-N 3.28Å
74D55.5Low57.1Low158 Ų15896.1 Ų96.185%0.84549%0.487SS*.THydrogen-bonded Turntrans50.620.9-164.1-71-48.4000113.1S70S70-D74 PolarHBondContact O-N 3.37Å
75K53.2Low56.2Low149 Ų14998 Ų9865%0.64850%0.5SS*.SBendtrans-153.7119.9-165.9-72.3174-172.8158.70109.9S70 C73 V77S70-K75 WeakPolarHBondContact CA-O 3.44Å; S70-K75 PolarHBondContact O-N 3.1Å; C73-K75 HydrophobicContact CB-CB 4.24Å; C73-K75 WeakPolarHBondContact O-CB 3.38Å; C73-K75 WeakPolarHBondContact O-CG 3.31Å; C73-K75 PolarHBondContact O-N 3.28Å; K75-V77 PolarHBondContact O-N 3.43Å; K75-V77 VanDerWaalsContact O-N 3.11Å
76P51.6Low55.5Low70 Ų70101.1 Ų101.146%0.45552%0.519SS..  trans-64.6116.2-177.719.9-27.3000112.2S70 L79S70-P76 WeakPolarHBondContact OG-CA 3.44Å; P76-L79 WeakPolarHBondContact CB-O 3.36Å
77V56.1Low55.3Low80 Ų80103.1 Ų103.149%0.48553%0.534SS..SBendtrans-85.2-26177.5172.10000111.6I69 K75I69-V77 HydrophobicContact CG2-CB 4.15Å; I69-V77 HydrophobicContact CG2-CG1 4.23Å; I69-V77 HydrophobicContact CG2-CG2 3.88Å; K75-V77 PolarHBondContact O-N 3.43Å; K75-V77 VanDerWaalsContact O-N 3.11Å
78T46.9Very low55.6Low48 Ų48106.7 Ų106.729%0.29454%0.544SS..SBendtrans-132.2142.5168.644.40000111.6L66L66-T78 HydrophobicContact CB-CG2 3.55Å; L66-T78 WeakPolarHBondContact CB-OG1 3.2Å; L66-T78 HydrophobicContact CD1-CG2 3.71Å; L66-T78 HydrophobicContact CD2-CG2 4.13Å; L66-T78 HydrophobicContact CG-CG2 3.98Å
79L44.2Very low56Low142 Ų142104.1 Ų104.174%0.74354%0.544SS*.SBendtrans60.3129.6-169.8-62.5144000111.6P76P76-L79 WeakPolarHBondContact CB-O 3.36Å
80P44.5Very low56.7Low94 Ų94108.9 Ų108.961%0.6156%0.562SS**  trans-58.6151.2161.129.5-33.7000108.1
81P43.7Very low57.6Low63 Ų63110.8 Ų110.841%0.40957%0.573SS.*SBendtrans-57.7149.1168.131-33.1000107.7Y83 T86P81-Y83 PolarHBondContact O-N 3.1Å; P81-T86 HydrophobicContact CG-CG2 3.65Å
82T41.4Very low58.4Low104 Ų104114.3 Ų114.364%0.63858%0.583SS**  trans-39.1125.8-172.1-480000110.7D84 D85T82-D84 PolarHBondContact O-N 3.49Å; T82-D85 PolarHBondContact O-N 3.26Å
83Y46.5Very low59.4Low191 Ų191106.2 Ų106.275%0.74955%0.551SS**THydrogen-bonded Turntrans-54.8-21.2-154.2-165.5-99000115.4P81P81-Y83 PolarHBondContact O-N 3.1Å
84D45.5Very low60.6Low144 Ų144105.7 Ų105.777%0.7755%0.545SS*.THydrogen-bonded Turntrans-78.9-20.4177.7-56.7-59.7000115T82T82-D84 PolarHBondContact O-N 3.49Å
85D51.9Low62.2Low127 Ų12799.9 Ų99.968%0.67952%0.519SS*.SBendtrans-86.3-14.3-173.6-82.3-44.8000114.7T82 P87T82-D85 PolarHBondContact O-N 3.26Å; D85-P87 WeakPolarHBondContact O-CD 3.34Å
86T55.7Low64Low72 Ų7297.7 Ų97.744%0.44251%0.509SS..SBendtrans-80117.5175.163.20000111.2P81 Y88P81-T86 HydrophobicContact CG-CG2 3.65Å; T86-Y88 PolarHBondContact O-N 2.89Å
87P63.2Low65.8Low77 Ų7795 Ų9550%0.549%0.491SS..PPolyproline II helixtrans-68.5129.5-17928.5-35.8000111D85 T89 A229D85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-T89 PolarHBondContact O-N 2.86Å; P87-T89 VanDerWaalsContact O-N 3.12Å; P87-A229 HydrophobicContact CB-CB 4.18Å; P87-A229 HydrophobicContact CG-CB 3.85Å
88Y71.6Confident67.5Low193 Ų19393 Ų9376%0.75748%0.476SS*.PPolyproline II helixtrans-55.4117.9177.6-64.3-61.2000112.1T86 W90 T91T86-Y88 PolarHBondContact O-N 2.89Å; Y88-W90 PolarHBondContact O-N 3.32Å; Y88-T91 WeakPolarHBondContact O-CG2 3.31Å
89T75.1Confident69.7Low90 Ų9091.9 Ų91.955%0.55247%0.471SS*.SBendtrans-62.8-27178.652.60000113.2P87 T91 H94P87-T89 PolarHBondContact O-N 2.86Å; P87-T89 VanDerWaalsContact O-N 3.12Å; T89-T91 PolarHBondContact O-N 3.11Å; T89-H94 VanDerWaalsContact O-CB 3.23Å; T89-H94 WeakPolarHBondContact O-CB 3.38Å; T89-H94 PolarHBondContact O-CD2 3.13Å
90W83.9Confident71.9Confident113 Ų11386.3 Ų86.343%0.42844%0.441SS..  trans-95.556.4177.5-69.798.1000112.8Y88 A95 F98 I111Y88-W90 PolarHBondContact O-N 3.32Å; W90-A95 HydrophobicContact CE3-CB 4.25Å; W90-F98 HydrophobicContact CH2-CD1 4.05Å; W90-F98 HydrophobicContact CH2-CD2 4.33Å; W90-F98 HydrophobicContact CH2-CE1 4.3Å; W90-F98 HydrophobicContact CH2-CG 4.07Å; W90-F98 HydrophobicContact CZ3-CB 4.26Å; W90-F98 AromaticContact CZ3-CD1 3.93Å; W90-F98 HydrophobicContact CZ3-CD1 3.93Å; W90-F98 HydrophobicContact CZ3-CG 4.02Å; W90-I111 HydrophobicContact CD2-CG2 4.15Å; W90-I111 HydrophobicContact CE3-CG2 4.17Å; W90-I111 HydrophobicContact CH2-CG2 3.46Å; W90-I111 VanDerWaalsContact CH2-CG2 3.46Å; W90-I111 HydrophobicContact CZ2-CG2 3.41Å; W90-I111 VanDerWaalsContact CZ2-CG2 3.41Å; W90-I111 HydrophobicContact CZ3-CG2 3.84Å
91T85.3Confident74.2Confident60 Ų6082.1 Ų82.137%0.36841%0.414SS..  trans-65.6160164.372.10000110.7Y88 T89 Y93 H94 A95Y88-T91 WeakPolarHBondContact O-CG2 3.31Å; T89-T91 PolarHBondContact O-N 3.11Å; T91-Y93 PolarHBondContact O-N 3.21Å; T91-H94 PolarHBondContact O-N 3.28Å; T91-H94 VanDerWaalsContact O-N 3.12Å; T91-H94 PolarHBondContact OG1-CD2 3.38Å; T91-H94 PolarHBondContact OG1-N 3.15Å; T91-H94 VanDerWaalsContact OG1-N 3.15Å; T91-A95 WeakPolarHBondContact O-CB 3.41Å; T91-A95 PolarHBondContact O-N 2.87Å
92F85.8Confident76.6Confident180 Ų18080.1 Ų80.179%0.78940%0.4SS*.Hα-helixtrans-56.2-37.3174.8179.3-97.6000112.5A95 F96F92-A95 PolarHBondContact O-N 3Å; F92-F96 WeakPolarHBondContact O-CB 3.4Å; F92-F96 PolarHBondContact O-N 3.35Å
93Y85.2Confident79Confident31 Ų3175.8 Ų75.812%0.12237%0.374CS..Hα-helixtrans-65.1-47.5175.1178-90.3000111.8T91 A95 F96 F97 F227 Q243 I247T91-Y93 PolarHBondContact O-N 3.21Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 3.45Å; Y93-F96 PolarHBondContact O-N 3.24Å; Y93-F97 HydrophobicContact CE1-CB 4.33Å; Y93-F97 WeakPolarHBondContact O-CB 3.38Å; Y93-F97 PolarHBondContact O-N 3.37Å; Y93-F227 HydrophobicContact CD1-CD2 4.22Å; Y93-F227 HydrophobicContact CD1-CE2 4.49Å; Y93-F227 HydrophobicContact CE1-CD1 4.44Å; Y93-F227 AromaticContact CE1-CD2 3.55Å; Y93-F227 HydrophobicContact CE1-CD2 3.55Å; Y93-F227 HydrophobicContact CE1-CE1 4.33Å; Y93-F227 AromaticContact CE1-CE2 3.43Å; Y93-F227 HydrophobicContact CE1-CE2 3.43Å; Y93-F227 VanDerWaalsContact CE1-CE2 3.43Å; Y93-F227 HydrophobicContact CE1-CG 4.08Å; Y93-F227 AromaticContact CE1-CZ 3.85Å; Y93-F227 HydrophobicContact CE1-CZ 3.85Å; Y93-F227 AromaticContact CZ-CE2 3.96Å; Y93-F227 AromaticContact CZ-CZ 3.93Å; Y93-F227 WeakPolarHBondContact OH-CZ 3.41Å; Y93-Q243 HydrophobicContact CD2-CB 4.18Å; Y93-Q243 HydrophobicContact CD2-CG 4.15Å; Y93-Q243 HydrophobicContact CE1-CG 4.11Å; Y93-Q243 HydrophobicContact CE2-CB 3.53Å; Y93-Q243 HydrophobicContact CE2-CG 3.71Å; Y93-Q243 PolarHBondContact OH-O 2.82Å; Y93-I247 HydrophobicContact CE2-CD1 3.64Å
94H85.1Confident81.2Confident34 Ų3466.8 Ų66.816%0.15734%0.339CS..Hα-helixtrans-63.8-37.8177-68.5-51.3000112.1T89 T91 F97 F98 I111 F227T89-H94 VanDerWaalsContact O-CB 3.23Å; T89-H94 WeakPolarHBondContact O-CB 3.38Å; T89-H94 PolarHBondContact O-CD2 3.13Å; T91-H94 PolarHBondContact O-N 3.28Å; T91-H94 VanDerWaalsContact O-N 3.12Å; T91-H94 PolarHBondContact OG1-CD2 3.38Å; T91-H94 PolarHBondContact OG1-N 3.15Å; T91-H94 VanDerWaalsContact OG1-N 3.15Å; H94-F97 PolarHBondContact O-N 3.32Å; H94-F98 WeakPolarHBondContact O-CB 3.27Å; H94-F98 PolarHBondContact O-N 3.44Å; H94-I111 HydrophobicContact CB-CD1 3.94Å; H94-F227 AromaticContact CE1-CD2 3.97Å
95A90.4Very high83.4Confident36 Ų3664 Ų6430%0.29833%0.327SS..Hα-helixtrans-65.2-40.4174.200000112.4W90 T91 F92 Y93 A99W90-A95 HydrophobicContact CE3-CB 4.25Å; T91-A95 WeakPolarHBondContact O-CB 3.41Å; T91-A95 PolarHBondContact O-N 2.87Å; F92-A95 PolarHBondContact O-N 3Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 3.45Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.37Å
96F90.5Very high85.4Confident102 Ų10258.3 Ų58.345%0.44730%0.297SS..Hα-helixtrans-65.5-45.9173.5-179.2-88.5000111.7F92 Y93 F98 A99 F100 I247F92-F96 WeakPolarHBondContact O-CB 3.4Å; F92-F96 PolarHBondContact O-N 3.35Å; Y93-F96 PolarHBondContact O-N 3.24Å; F96-F98 VanDerWaalsContact C-N 3.34Å; F96-F98 PolarHBondContact O-N 3.03Å; F96-A99 PolarHBondContact O-N 2.83Å; F96-F100 HydrophobicContact CE1-CB 4.5Å; F96-F100 VanDerWaalsContact O-CB 3.25Å; F96-F100 WeakPolarHBondContact O-CB 3.42Å; F96-F100 PolarHBondContact O-N 3.3Å; F96-I247 HydrophobicContact CD1-CD1 4.03Å; F96-I247 HydrophobicContact CE1-CD1 3.88Å; F96-I247 HydrophobicContact CE1-CG2 4.37Å
97F89.4Confident87Confident15 Ų1557 Ų577%0.06630%0.297CS..Hα-helixtrans-63.9-38177.6-171.9-99.9000111.8Y93 H94 F100 T101 Y108 V224 V246 I247Y93-F97 HydrophobicContact CE1-CB 4.33Å; Y93-F97 WeakPolarHBondContact O-CB 3.38Å; Y93-F97 PolarHBondContact O-N 3.37Å; H94-F97 PolarHBondContact O-N 3.32Å; F97-F100 PolarHBondContact O-N 3.05Å; F97-T101 HydrophobicContact CD1-CG2 4.2Å; F97-T101 HydrophobicContact CE1-CG2 3.95Å; F97-T101 HydrophobicContact CE2-CG2 4.49Å; F97-T101 HydrophobicContact CZ-CG2 4.12Å; F97-T101 WeakPolarHBondContact O-CB 3.27Å; F97-T101 VanDerWaalsContact O-CG2 3.28Å; F97-T101 WeakPolarHBondContact O-CG2 3.34Å; F97-T101 PolarHBondContact O-N 3.45Å; F97-T101 PolarHBondContact O-OG1 2.85Å; F97-Y108 AromaticContact CE1-CD2 3.92Å; F97-Y108 HydrophobicContact CE1-CD2 3.92Å; F97-Y108 AromaticContact CE1-CE2 3.71Å; F97-Y108 HydrophobicContact CE1-CE2 3.71Å; F97-Y108 HydrophobicContact CZ-CD2 4.34Å; F97-Y108 AromaticContact CZ-CE2 3.66Å; F97-Y108 HydrophobicContact CZ-CE2 3.66Å; F97-V224 HydrophobicContact CE1-CG1 3.96Å; F97-V224 HydrophobicContact CZ-CG1 4.43Å; F97-V246 HydrophobicContact CE2-CG1 4.24Å; F97-I247 HydrophobicContact CD2-CG1 4.49Å
98F91.1Very high88.3Confident38 Ų3853.8 Ų53.817%0.16728%0.275CS..Hα-helixtrans-61.4-52.7170.7171.1-98.2000111.7W90 H94 F96 F100 T101 V102 I111 P113 M122W90-F98 HydrophobicContact CH2-CD1 4.05Å; W90-F98 HydrophobicContact CH2-CD2 4.33Å; W90-F98 HydrophobicContact CH2-CE1 4.3Å; W90-F98 HydrophobicContact CH2-CG 4.07Å; W90-F98 HydrophobicContact CZ3-CB 4.26Å; W90-F98 AromaticContact CZ3-CD1 3.93Å; W90-F98 HydrophobicContact CZ3-CD1 3.93Å; W90-F98 HydrophobicContact CZ3-CG 4.02Å; H94-F98 WeakPolarHBondContact O-CB 3.27Å; H94-F98 PolarHBondContact O-N 3.44Å; F96-F98 VanDerWaalsContact C-N 3.34Å; F96-F98 PolarHBondContact O-N 3.03Å; F98-F100 VanDerWaalsContact C-N 3.26Å; F98-F100 PolarHBondContact O-N 3.17Å; F98-T101 WeakPolarHBondContact CA-OG1 3.38Å; F98-T101 PolarHBondContact O-N 3.4Å; F98-T101 PolarHBondContact O-OG1 3.09Å; F98-T101 VanDerWaalsContact O-OG1 3.06Å; F98-V102 HydrophobicContact CD2-CG2 4.41Å; F98-V102 HydrophobicContact CE1-CG2 4.08Å; F98-V102 HydrophobicContact CE2-CG2 3.89Å; F98-V102 HydrophobicContact CZ-CG2 3.69Å; F98-V102 WeakPolarHBondContact O-CG2 3.38Å; F98-V102 PolarHBondContact O-N 3.33Å; F98-I111 HydrophobicContact CD2-CG2 4.5Å; F98-I111 WeakPolarHBondContact CD2-O 3.38Å; F98-I111 WeakPolarHBondContact CE2-O 3.35Å; F98-P113 HydrophobicContact CZ-CG 4.22Å; F98-M122 HydrophobicContact CE1-CG 4.4Å; F98-M122 HydrophobicContact CZ-CG 4.02Å
99A92.9Very high89Confident24 Ų2446.9 Ų46.920%0.19826%0.263CS..Hα-helixtrans-59.3-39.4178.300000111.8A95 F96 C103 Y125A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.37Å; F96-A99 PolarHBondContact O-N 2.83Å; A99-C103 PolarHBondContact O-N 2.89Å; A99-C103 PolarHBondContact O-SG 3.05Å; A99-Y125 HydrophobicContact CB-CE1 3.89Å; A99-Y125 WeakPolarHBondContact O-CE1 3.04Å
100F91.6Very high89.4Confident24 Ų2446.9 Ų46.911%0.10526%0.26CS..Hα-helixtrans-67.6-43176.2-179.1-123.2000113.1F96 F97 F98 V102 C103 S104 I247 F250 I251F96-F100 HydrophobicContact CE1-CB 4.5Å; F96-F100 VanDerWaalsContact O-CB 3.25Å; F96-F100 WeakPolarHBondContact O-CB 3.42Å; F96-F100 PolarHBondContact O-N 3.3Å; F97-F100 PolarHBondContact O-N 3.05Å; F98-F100 VanDerWaalsContact C-N 3.26Å; F98-F100 PolarHBondContact O-N 3.17Å; F100-V102 VanDerWaalsContact C-N 3.35Å; F100-C103 PolarHBondContact O-N 2.78Å; F100-C103 VanDerWaalsContact O-N 3.17Å; F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.09Å; F100-I247 HydrophobicContact CE1-CG2 4.27Å; F100-F250 HydrophobicContact CD1-CD1 4.43Å; F100-F250 AromaticContact CE1-CD1 3.25Å; F100-F250 HydrophobicContact CE1-CD1 3.25Å; F100-F250 AromaticContact CE1-CE1 3.63Å; F100-F250 HydrophobicContact CE1-CE1 3.63Å; F100-F250 HydrophobicContact CE1-CG 4.08Å; F100-F250 AromaticContact CZ-CD1 3.39Å; F100-F250 HydrophobicContact CZ-CD1 3.39Å; F100-F250 AromaticContact CZ-CE1 3.65Å; F100-F250 HydrophobicContact CZ-CE1 3.65Å; F100-I251 HydrophobicContact CE1-CG1 4.31Å; F100-I251 HydrophobicContact CE2-CD1 4.38Å; F100-I251 HydrophobicContact CE2-CG1 3.94Å; F100-I251 HydrophobicContact CZ-CD1 4.14Å; F100-I251 HydrophobicContact CZ-CG1 3.41Å; F100-I251 VanDerWaalsContact CZ-CG1 3.41Å
101T92Very high89.5Confident7 Ų742.9 Ų42.94%0.04325%0.246CC..Hα-helixtrans-72.1-25.8178.450.40000113.5F97 F98 S104 T105 V106 G107 Y108F97-T101 HydrophobicContact CD1-CG2 4.2Å; F97-T101 HydrophobicContact CE1-CG2 3.95Å; F97-T101 HydrophobicContact CE2-CG2 4.49Å; F97-T101 HydrophobicContact CZ-CG2 4.12Å; F97-T101 WeakPolarHBondContact O-CB 3.27Å; F97-T101 VanDerWaalsContact O-CG2 3.28Å; F97-T101 WeakPolarHBondContact O-CG2 3.34Å; F97-T101 PolarHBondContact O-N 3.45Å; F97-T101 PolarHBondContact O-OG1 2.85Å; F98-T101 WeakPolarHBondContact CA-OG1 3.38Å; F98-T101 PolarHBondContact O-N 3.4Å; F98-T101 PolarHBondContact O-OG1 3.09Å; F98-T101 VanDerWaalsContact O-OG1 3.06Å; T101-S104 WeakPolarHBondContact CA-OG 3.22Å; T101-S104 PolarHBondContact O-OG 3.5Å; T101-T105 PolarHBondContact O-N 3.19Å; T101-V106 PolarHBondContact O-N 2.93Å; T101-V106 VanDerWaalsContact O-N 3.09Å; T101-G107 PolarHBondContact O-N 3.06Å; T101-Y108 HydrophobicContact CG2-CD2 3.77Å; T101-Y108 HydrophobicContact CG2-CE2 3.65Å
102V93.7Very high89.7Confident20 Ų2043.1 Ų43.112%0.12125%0.251CS..Hα-helixtrans-66.1-48164.4168.80000110.6F98 F100 S104 T105 M122 Y125F98-V102 HydrophobicContact CD2-CG2 4.41Å; F98-V102 HydrophobicContact CE1-CG2 4.08Å; F98-V102 HydrophobicContact CE2-CG2 3.89Å; F98-V102 HydrophobicContact CZ-CG2 3.69Å; F98-V102 WeakPolarHBondContact O-CG2 3.38Å; F98-V102 PolarHBondContact O-N 3.33Å; F100-V102 VanDerWaalsContact C-N 3.35Å; V102-S104 VanDerWaalsContact C-N 3.31Å; V102-S104 PolarHBondContact O-N 3.01Å; V102-T105 PolarHBondContact O-N 3.21Å; V102-M122 HydrophobicContact CG1-CG 4.4Å; V102-M122 HydrophobicContact CG2-CG 4.29Å; V102-Y125 HydrophobicContact CG1-CD1 4.23Å
103C93.4Very high89.9Confident13 Ų1335.2 Ų35.29%0.08822%0.218CC..Hα-helixtrans-66.3-29.2178.7-70.90000113.9A99 F100 T105 Y125 N133A99-C103 PolarHBondContact O-N 2.89Å; A99-C103 PolarHBondContact O-SG 3.05Å; F100-C103 PolarHBondContact O-N 2.78Å; F100-C103 VanDerWaalsContact O-N 3.17Å; C103-T105 VanDerWaalsContact C-N 3.33Å; C103-Y125 WeakPolarHBondContact SG-CE1 3.23Å; C103-Y125 PolarHBondContact SG-OH 3.46Å; C103-N133 HydrophobicContact CB-CB 4.29Å; C103-N133 WeakPolarHBondContact O-CB 3.42Å; C103-N133 PolarHBondContact O-ND2 3.27Å
104S91.3Very high90.2Very high2 Ų238.8 Ų38.81%0.01424%0.243CC..THydrogen-bonded Turntrans-89.32.8177.665.20000113.8F100 T101 V102 V106 N133 F250F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.09Å; T101-S104 WeakPolarHBondContact CA-OG 3.22Å; T101-S104 PolarHBondContact O-OG 3.5Å; V102-S104 VanDerWaalsContact C-N 3.31Å; V102-S104 PolarHBondContact O-N 3.01Å; S104-V106 PolarHBondContact O-N 3.4Å; S104-N133 VanDerWaalsContact CA-ND2 3.34Å; S104-N133 WeakPolarHBondContact CA-ND2 3.48Å; S104-N133 PolarHBondContact N-ND2 3.1Å; S104-F250 WeakPolarHBondContact OG-CZ 3.12Å
105T93.3Very high90.6Very high85 Ų8541 Ų4152%0.52126%0.259SS..THydrogen-bonded Turntrans57.622.3-178.657.10000114.9T101 V102 C103 I130T101-T105 PolarHBondContact O-N 3.19Å; V102-T105 PolarHBondContact O-N 3.21Å; C103-T105 VanDerWaalsContact C-N 3.33Å; T105-I130 HydrophobicContact CG2-CD1 3.65Å; T105-I130 HydrophobicContact CG2-CG1 3.75Å; T105-I130 HydrophobicContact CG2-CG2 3.97Å
106V92.3Very high90.7Very high8 Ų846.9 Ų46.95%0.04828%0.278CS..  trans-89-39.9176-1780000111.6T101 S104 Y108 T217 F250T101-V106 PolarHBondContact O-N 2.93Å; T101-V106 VanDerWaalsContact O-N 3.09Å; S104-V106 PolarHBondContact O-N 3.4Å; V106-Y108 HydrophobicContact CG1-CD1 4.2Å; V106-Y108 HydrophobicContact CG1-CD2 4.47Å; V106-Y108 HydrophobicContact CG1-CE1 3.92Å; V106-Y108 HydrophobicContact CG1-CE2 4.19Å; V106-Y108 HydrophobicContact CG1-CG 4.49Å; V106-Y108 PolarHBondContact O-N 3.31Å; V106-T217 HydrophobicContact CG2-CG2 3.6Å; V106-F250 HydrophobicContact CB-CZ 4.38Å; V106-F250 HydrophobicContact CG2-CE2 3.89Å; V106-F250 HydrophobicContact CG2-CZ 3.52Å
107G90.5Very high90.9Very high44 Ų4444.8 Ų44.845%0.45428%0.28SS..  trans43.255.3164.900000116.6T101 G109T101-G107 PolarHBondContact O-N 3.06Å; G107-G109 PolarHBondContact O-N 3.29Å
108Y89.4Confident91.1Very high10 Ų1045 Ų454%0.03929%0.286CS..  trans-47.6-16.6-174.6-64.1-72.8000117.1F97 T101 V106 N110 Y210 T214 G219 G221 V224F97-Y108 AromaticContact CE1-CD2 3.92Å; F97-Y108 HydrophobicContact CE1-CD2 3.92Å; F97-Y108 AromaticContact CE1-CE2 3.71Å; F97-Y108 HydrophobicContact CE1-CE2 3.71Å; F97-Y108 HydrophobicContact CZ-CD2 4.34Å; F97-Y108 AromaticContact CZ-CE2 3.66Å; F97-Y108 HydrophobicContact CZ-CE2 3.66Å; T101-Y108 HydrophobicContact CG2-CD2 3.77Å; T101-Y108 HydrophobicContact CG2-CE2 3.65Å; V106-Y108 HydrophobicContact CG1-CD1 4.2Å; V106-Y108 HydrophobicContact CG1-CD2 4.47Å; V106-Y108 HydrophobicContact CG1-CE1 3.92Å; V106-Y108 HydrophobicContact CG1-CE2 4.19Å; V106-Y108 HydrophobicContact CG1-CG 4.49Å; V106-Y108 PolarHBondContact O-N 3.31Å; Y108-N110 PolarHBondContact O-N 3.2Å; Y108-Y210 HydrophobicContact CE1-CE2 4.13Å; Y108-Y210 PolarHBondContact OH-OH 3.11Å; Y108-Y210 VanDerWaalsContact OH-OH 3.04Å; Y108-T214 WeakPolarHBondContact OH-CB 3.15Å; Y108-T214 WeakPolarHBondContact OH-CG2 2.97Å; Y108-T214 PolarHBondContact OH-OG1 2.92Å; Y108-G219 WeakPolarHBondContact CA-O 3.48Å; Y108-G221 WeakPolarHBondContact O-CA 3.36Å; Y108-V224 HydrophobicContact CD1-CG2 3.95Å; Y108-V224 HydrophobicContact CD2-CG2 4.34Å; Y108-V224 HydrophobicContact CE1-CG2 4.42Å; Y108-V224 HydrophobicContact CG-CG2 3.88Å
109G86.4Confident91.3Very high49 Ų4949.2 Ų49.251%0.50530%0.301SS..SBendtrans74.1-21.3175.300000115.7G107 I111G107-G109 PolarHBondContact O-N 3.29Å; G109-I111 PolarHBondContact O-N 2.87Å; G109-I111 VanDerWaalsContact O-N 3.14Å
110N84.3Confident91.5Very high89 Ų8952.2 Ų52.248%0.47631%0.312SS..SBendtrans-53.1-32.5176.474-39.2000113.4Y108 V224Y108-N110 PolarHBondContact O-N 3.2Å; N110-V224 HydrophobicContact CB-CG2 4.43Å
111I86.2Confident91.7Very high29 Ų2956.7 Ų56.715%0.14934%0.336CS..SBendtrans-124.4125.8169.2-60.1178.8000107.6W90 H94 F98 G109W90-I111 HydrophobicContact CD2-CG2 4.15Å; W90-I111 HydrophobicContact CE3-CG2 4.17Å; W90-I111 HydrophobicContact CH2-CG2 3.46Å; W90-I111 VanDerWaalsContact CH2-CG2 3.46Å; W90-I111 HydrophobicContact CZ2-CG2 3.41Å; W90-I111 VanDerWaalsContact CZ2-CG2 3.41Å; W90-I111 HydrophobicContact CZ3-CG2 3.84Å; H94-I111 HydrophobicContact CB-CD1 3.94Å; F98-I111 HydrophobicContact CD2-CG2 4.5Å; F98-I111 WeakPolarHBondContact CD2-O 3.38Å; F98-I111 WeakPolarHBondContact CE2-O 3.35Å; G109-I111 PolarHBondContact O-N 2.87Å; G109-I111 VanDerWaalsContact O-N 3.14Å
112S89Confident91.8Very high65 Ų6559 Ų5946%0.45535%0.347SS..  trans-148.1149.8178.963.60000112.2T114S112-T114 PolarHBondContact O-N 2.77Å
113P90.9Very high91.9Very high15 Ų1562.1 Ų62.110%0.09736%0.362CS..  trans-69.1115.8-176.925.4-33.3000111.1F98 R119 M122F98-P113 HydrophobicContact CZ-CG 4.22Å; P113-R119 HydrophobicContact CB-CG 4.23Å; P113-R119 HydrophobicContact CG-CG 4Å; P113-R119 VanDerWaalsContact O-CG 3.31Å; P113-R119 WeakPolarHBondContact O-CG 3.28Å; P113-R119 PolarHBondContact O-NE 3.28Å; P113-M122 HydrophobicContact CG-CB 4.28Å; P113-M122 HydrophobicContact CG-CE 4.38Å
114T90.1Very high92Very high105 Ų10564.4 Ų64.464%0.64438%0.382SS*.  trans-74.6-36.3174.751.60000111.9S112S112-T114 PolarHBondContact O-N 2.77Å
115T93.6Very high92.3Very high82 Ų8269.3 Ų69.350%0.50340%0.401SS..SBendtrans-75145.4-176.766.70000112.8A117 G118 R119T115-A117 PolarHBondContact O-N 2.76Å; T115-G118 PolarHBondContact O-N 3.33Å; T115-G118 PolarHBondContact OG1-N 2.84Å; T115-G118 VanDerWaalsContact OG1-N 3.11Å; T115-R119 WeakPolarHBondContact O-CG 3.44Å; T115-R119 PolarHBondContact O-N 2.9Å
116F93.9Very high92.3Very high158 Ų15866.4 Ų66.469%0.69338%0.384SS*.Hα-helixtrans-57.9-46.5175.6177.8-98.6000112G118 R119 M120F116-G118 PolarHBondContact O-N 3.39Å; F116-R119 PolarHBondContact O-N 3.04Å; F116-M120 HydrophobicContact CD1-CG 4.21Å; F116-M120 HydrophobicContact CD2-CE 4.45Å; F116-M120 HydrophobicContact CE1-CG 3.75Å; F116-M120 HydrophobicContact CE2-CE 3.96Å; F116-M120 HydrophobicContact CE2-CG 4.19Å; F116-M120 HydrophobicContact CE2-SD 4.22Å; F116-M120 HydrophobicContact CZ-CE 4.31Å; F116-M120 HydrophobicContact CZ-CG 3.73Å; F116-M120 HydrophobicContact CZ-SD 3.95Å; F116-M120 WeakPolarHBondContact O-CG 3.21Å; F116-M120 PolarHBondContact O-N 3.07Å
117A94.8Very high92.5Very high59 Ų5970.8 Ų70.849%0.48841%0.41SS..Hα-helixtrans-59.6-44.6176.800000112.2T115 R119 M120 I121T115-A117 PolarHBondContact O-N 2.76Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.2Å; A117-M120 PolarHBondContact O-N 2.87Å; A117-I121 WeakPolarHBondContact O-CB 3.4Å; A117-I121 VanDerWaalsContact O-CG1 3.28Å; A117-I121 WeakPolarHBondContact O-CG1 3.27Å; A117-I121 PolarHBondContact O-N 3.41Å
118G93.6Very high92.8Very high20 Ų2074.3 Ų74.321%0.20642%0.418CS..Hα-helixtrans-61-38176.400000112.9T115 F116 M122T115-G118 PolarHBondContact O-N 3.33Å; T115-G118 PolarHBondContact OG1-N 2.84Å; T115-G118 VanDerWaalsContact OG1-N 3.11Å; F116-G118 PolarHBondContact O-N 3.39Å; G118-M122 WeakPolarHBondContact O-CB 3.37Å; G118-M122 PolarHBondContact O-N 3.45Å
119R94.7Very high93Very high126 Ų12674.3 Ų74.348%0.47542%0.42SS..Hα-helixtrans-65.7-45.5174.4-68.7169.7-177-176.9-0.4112.1P113 T115 F116 A117 M122 I123P113-R119 HydrophobicContact CB-CG 4.23Å; P113-R119 HydrophobicContact CG-CG 4Å; P113-R119 VanDerWaalsContact O-CG 3.31Å; P113-R119 WeakPolarHBondContact O-CG 3.28Å; P113-R119 PolarHBondContact O-NE 3.28Å; T115-R119 WeakPolarHBondContact O-CG 3.44Å; T115-R119 PolarHBondContact O-N 2.9Å; F116-R119 PolarHBondContact O-N 3.04Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.2Å; R119-M122 PolarHBondContact O-N 2.92Å; R119-I123 WeakPolarHBondContact O-CG1 3.41Å; R119-I123 PolarHBondContact O-N 3.45Å
120M96.6Very high93.4Very high87 Ų8775.3 Ų75.343%0.42941%0.413SS..Hα-helixtrans-64.7-42.5178.2-65.1-57.7103.800112.1F116 A117 I123 A124F116-M120 HydrophobicContact CD1-CG 4.21Å; F116-M120 HydrophobicContact CD2-CE 4.45Å; F116-M120 HydrophobicContact CE1-CG 3.75Å; F116-M120 HydrophobicContact CE2-CE 3.96Å; F116-M120 HydrophobicContact CE2-CG 4.19Å; F116-M120 HydrophobicContact CE2-SD 4.22Å; F116-M120 HydrophobicContact CZ-CE 4.31Å; F116-M120 HydrophobicContact CZ-CG 3.73Å; F116-M120 HydrophobicContact CZ-SD 3.95Å; F116-M120 WeakPolarHBondContact O-CG 3.21Å; F116-M120 PolarHBondContact O-N 3.07Å; A117-M120 PolarHBondContact O-N 2.87Å; M120-I123 HydrophobicContact CE-CD1 3.84Å; M120-I123 PolarHBondContact O-N 3.41Å; M120-A124 PolarHBondContact O-N 3.09Å; M120-A124 VanDerWaalsContact O-N 3.11Å
121I95.6Very high94Very high117 Ų11774.7 Ų74.760%0.641%0.414SS*.Hα-helixtrans-63.8-43.6175.5-68165.8000110.7A117 I123 A124 Y125A117-I121 WeakPolarHBondContact O-CB 3.4Å; A117-I121 VanDerWaalsContact O-CG1 3.28Å; A117-I121 WeakPolarHBondContact O-CG1 3.27Å; A117-I121 PolarHBondContact O-N 3.41Å; I121-I123 VanDerWaalsContact C-N 3.35Å; I121-I123 PolarHBondContact O-N 2.75Å; I121-A124 PolarHBondContact O-N 3.3Å; I121-Y125 WeakPolarHBondContact O-CB 3.5Å; I121-Y125 PolarHBondContact O-N 3.22Å
122M94.8Very high94.4Very high56 Ų5677.7 Ų77.728%0.27643%0.434SS..Hα-helixtrans-59.9-41.8176.7175.7-83.5-68.800112.2F98 V102 P113 G118 R119 Y125 S126F98-M122 HydrophobicContact CE1-CG 4.4Å; F98-M122 HydrophobicContact CZ-CG 4.02Å; V102-M122 HydrophobicContact CG1-CG 4.4Å; V102-M122 HydrophobicContact CG2-CG 4.29Å; P113-M122 HydrophobicContact CG-CB 4.28Å; P113-M122 HydrophobicContact CG-CE 4.38Å; G118-M122 WeakPolarHBondContact O-CB 3.37Å; G118-M122 PolarHBondContact O-N 3.45Å; R119-M122 PolarHBondContact O-N 2.92Å; M122-Y125 PolarHBondContact O-N 3.31Å; M122-S126 WeakPolarHBondContact O-CB 3.36Å; M122-S126 PolarHBondContact O-N 2.78Å
123I95.7Very high94.5Very high85 Ų8575.2 Ų75.244%0.43642%0.415SS..Hα-helixtrans-60.5-54.2175-68.9163.9000110.2R119 M120 I121 Y125 S126 V127R119-I123 WeakPolarHBondContact O-CG1 3.41Å; R119-I123 PolarHBondContact O-N 3.45Å; M120-I123 HydrophobicContact CE-CD1 3.84Å; M120-I123 PolarHBondContact O-N 3.41Å; I121-I123 VanDerWaalsContact C-N 3.35Å; I121-I123 PolarHBondContact O-N 2.75Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.39Å; I123-S126 PolarHBondContact O-N 3.13Å; I123-S126 VanDerWaalsContact O-N 3.15Å; I123-S126 PolarHBondContact O-OG 3.01Å; I123-V127 WeakPolarHBondContact O-CG2 3.26Å; I123-V127 PolarHBondContact O-N 3.38Å
124A95.9Very high94.6Very high62 Ų6276.3 Ų76.351%0.51243%0.43SS..Hα-helixtrans-59.9-38.5-179.400000112.7M120 I121M120-A124 PolarHBondContact O-N 3.09Å; M120-A124 VanDerWaalsContact O-N 3.11Å; I121-A124 PolarHBondContact O-N 3.3Å
125Y95.8Very high94.7Very high105 Ų10577.3 Ų77.341%0.41243%0.43SS..Hα-helixtrans-65.2-44.7174.7177.3-105.4000112.1A99 V102 C103 I121 M122 I123 V127 I128 G129A99-Y125 HydrophobicContact CB-CE1 3.89Å; A99-Y125 WeakPolarHBondContact O-CE1 3.04Å; V102-Y125 HydrophobicContact CG1-CD1 4.23Å; C103-Y125 WeakPolarHBondContact SG-CE1 3.23Å; C103-Y125 PolarHBondContact SG-OH 3.46Å; I121-Y125 WeakPolarHBondContact O-CB 3.5Å; I121-Y125 PolarHBondContact O-N 3.22Å; M122-Y125 PolarHBondContact O-N 3.31Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.39Å; Y125-V127 VanDerWaalsContact C-N 3.32Å; Y125-V127 PolarHBondContact O-N 3.31Å; Y125-I128 PolarHBondContact O-N 3.19Å; Y125-G129 PolarHBondContact O-N 3.27Å
126S95.3Very high94.7Very high23 Ų2377.3 Ų77.316%0.16143%0.426CS..Hα-helixtrans-61.1-38-179.676.70000113M122 I123 I128 G129 I130M122-S126 WeakPolarHBondContact O-CB 3.36Å; M122-S126 PolarHBondContact O-N 2.78Å; I123-S126 PolarHBondContact O-N 3.13Å; I123-S126 VanDerWaalsContact O-N 3.15Å; I123-S126 PolarHBondContact O-OG 3.01Å; S126-I128 PolarHBondContact O-N 2.69Å; S126-G129 PolarHBondContact O-N 3.27Å; S126-I130 WeakPolarHBondContact O-CB 3.37Å; S126-I130 VanDerWaalsContact O-CG1 3.3Å; S126-I130 WeakPolarHBondContact O-CG1 3.48Å; S126-I130 PolarHBondContact O-N 2.86Å
127V95.9Very high94.6Very high100 Ų10070.4 Ų70.461%0.60640%0.396SS*.Hα-helixtrans-61.7-31.3-179.9170.10000112.4I123 Y125 P131I123-V127 WeakPolarHBondContact O-CG2 3.26Å; I123-V127 PolarHBondContact O-N 3.38Å; Y125-V127 VanDerWaalsContact C-N 3.32Å; Y125-V127 PolarHBondContact O-N 3.31Å; V127-P131 VanDerWaalsContact O-CD 3.26Å; V127-P131 WeakPolarHBondContact O-CD 3.4Å; V127-P131 WeakPolarHBondContact O-CG 3.44Å
128I95.9Very high94.4Very high119 Ų11970 Ų7061%0.6139%0.393SS*.Hα-helixtrans-94.3-40.9177.2-57.4176000110.7Y125 S126 P131 V132Y125-I128 PolarHBondContact O-N 3.19Å; S126-I128 PolarHBondContact O-N 2.69Å; I128-P131 WeakPolarHBondContact O-CD 3.24Å; I128-V132 HydrophobicContact CG2-CG2 4.44Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.49Å; I128-V132 PolarHBondContact O-N 3.47Å
129G94.8Very high94.3Very high9 Ų971.2 Ų71.29%0.09341%0.405CS..Hα-helixtrans-64.8-44.5-175.400000113.7Y125 S126 V132 N133Y125-G129 PolarHBondContact O-N 3.27Å; S126-G129 PolarHBondContact O-N 3.27Å; G129-V132 PolarHBondContact O-N 3.21Å; G129-N133 WeakPolarHBondContact O-CB 3.14Å; G129-N133 PolarHBondContact O-N 2.98Å
130I94.8Very high94.2Very high70 Ų7066.5 Ų66.536%0.35939%0.389SS..Hα-helixtrans-63-47.9-177.6-64166.5000111.5T105 S126 V132 N133 G134T105-I130 HydrophobicContact CG2-CD1 3.65Å; T105-I130 HydrophobicContact CG2-CG1 3.75Å; T105-I130 HydrophobicContact CG2-CG2 3.97Å; S126-I130 WeakPolarHBondContact O-CB 3.37Å; S126-I130 VanDerWaalsContact O-CG1 3.3Å; S126-I130 WeakPolarHBondContact O-CG1 3.48Å; S126-I130 PolarHBondContact O-N 2.86Å; I130-V132 PolarHBondContact O-N 2.76Å; I130-N133 PolarHBondContact O-N 3.15Å; I130-G134 PolarHBondContact O-N 3Å
131P95.6Very high94Very high77 Ų7762.5 Ų62.550%0.537%0.37SS..Hα-helixtrans-58.5-42.8171.7-27.735.6000114.5V127 I128 G134 I135V127-P131 VanDerWaalsContact O-CD 3.26Å; V127-P131 WeakPolarHBondContact O-CD 3.4Å; V127-P131 WeakPolarHBondContact O-CG 3.44Å; I128-P131 WeakPolarHBondContact O-CD 3.24Å; P131-G134 PolarHBondContact O-N 3.44Å; P131-I135 WeakPolarHBondContact O-CG1 3.45Å; P131-I135 PolarHBondContact O-N 3.05Å
132V94.6Very high93.7Very high92 Ų9261.6 Ų61.656%0.55836%0.363SS*.Hα-helixtrans-63.5-43.9179.4169.20000110.9I128 G129 I130 I135 L136I128-V132 HydrophobicContact CG2-CG2 4.44Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.49Å; I128-V132 PolarHBondContact O-N 3.47Å; G129-V132 PolarHBondContact O-N 3.21Å; I130-V132 PolarHBondContact O-N 2.76Å; V132-I135 PolarHBondContact O-N 3.42Å; V132-L136 PolarHBondContact O-N 3.41Å; V132-L136 VanDerWaalsContact O-N 3.1Å
133N92.6Very high93.5Very high12 Ų1265.7 Ų65.76%0.06438%0.377CS..Hα-helixtrans-70-35.9178.6-147.920.1000111.7C103 S104 G129 I130 I135 L136 F137C103-N133 HydrophobicContact CB-CB 4.29Å; C103-N133 WeakPolarHBondContact O-CB 3.42Å; C103-N133 PolarHBondContact O-ND2 3.27Å; S104-N133 VanDerWaalsContact CA-ND2 3.34Å; S104-N133 WeakPolarHBondContact CA-ND2 3.48Å; S104-N133 PolarHBondContact N-ND2 3.1Å; G129-N133 WeakPolarHBondContact O-CB 3.14Å; G129-N133 PolarHBondContact O-N 2.98Å; I130-N133 PolarHBondContact O-N 3.15Å; N133-I135 VanDerWaalsContact C-N 3.32Å; N133-I135 PolarHBondContact O-N 2.95Å; N133-L136 WeakPolarHBondContact O-CB 3.26Å; N133-L136 PolarHBondContact O-N 2.88Å; N133-L136 VanDerWaalsContact O-N 3.15Å; N133-F137 HydrophobicContact CB-CE2 4.13Å; N133-F137 VanDerWaalsContact CG-CZ 3.5Å; N133-F137 VanDerWaalsContact ND2-CE2 3.27Å; N133-F137 WeakPolarHBondContact ND2-CE2 3.5Å; N133-F137 WeakPolarHBondContact ND2-CZ 3.37Å; N133-F137 WeakPolarHBondContact O-CD2 3.42Å; N133-F137 WeakPolarHBondContact O-CG 3.3Å; N133-F137 PolarHBondContact O-N 2.92Å; N133-F137 VanDerWaalsContact OD1-CZ 3.27Å; N133-F137 WeakPolarHBondContact OD1-CZ 3.31Å
134G91.6Very high93.2Very high39 Ų3963 Ų6340%0.40236%0.362SS..Hα-helixtrans-59.5-39.2171.200000113.2I130 P131 A138I130-G134 PolarHBondContact O-N 3Å; P131-G134 PolarHBondContact O-N 3.44Å; G134-A138 VanDerWaalsContact O-CB 3.32Å; G134-A138 WeakPolarHBondContact O-CB 3.28Å; G134-A138 PolarHBondContact O-N 3.3Å
135I93Very high92.8Very high126 Ų12660.4 Ų60.465%0.64634%0.341SS*.Hα-helixtrans-66.3-41.5173.3-66.9163.8000110.9P131 V132 N133 A138 G139P131-I135 WeakPolarHBondContact O-CG1 3.45Å; P131-I135 PolarHBondContact O-N 3.05Å; V132-I135 PolarHBondContact O-N 3.42Å; N133-I135 VanDerWaalsContact C-N 3.32Å; N133-I135 PolarHBondContact O-N 2.95Å; I135-A138 PolarHBondContact O-N 3.37Å; I135-G139 PolarHBondContact O-N 2.89Å
136L93.1Very high92.5Very high81 Ų8162.8 Ų62.842%0.42435%0.35SS..Hα-helixtrans-60.1-49.7175.6178.463.4000111.5V132 N133 A138 G139 L140V132-L136 PolarHBondContact O-N 3.41Å; V132-L136 VanDerWaalsContact O-N 3.1Å; N133-L136 WeakPolarHBondContact O-CB 3.26Å; N133-L136 PolarHBondContact O-N 2.88Å; N133-L136 VanDerWaalsContact O-N 3.15Å; L136-A138 PolarHBondContact O-N 3.39Å; L136-G139 PolarHBondContact O-N 2.9Å; L136-L140 HydrophobicContact CD1-CD1 4.18Å; L136-L140 HydrophobicContact CD1-CG 4.45Å; L136-L140 HydrophobicContact CG-CD1 4.02Å; L136-L140 WeakPolarHBondContact O-CG 3.38Å; L136-L140 PolarHBondContact O-N 2.81Å
137F91.8Very high92.1Very high14 Ų1464 Ų646%0.06136%0.356CS..Hα-helixtrans-69.3-31.6179.5-58.1-44.7000113.2N133 L140 G141 L254 V258N133-F137 HydrophobicContact CB-CE2 4.13Å; N133-F137 VanDerWaalsContact CG-CZ 3.5Å; N133-F137 VanDerWaalsContact ND2-CE2 3.27Å; N133-F137 WeakPolarHBondContact ND2-CE2 3.5Å; N133-F137 WeakPolarHBondContact ND2-CZ 3.37Å; N133-F137 WeakPolarHBondContact O-CD2 3.42Å; N133-F137 WeakPolarHBondContact O-CG 3.3Å; N133-F137 PolarHBondContact O-N 2.92Å; N133-F137 VanDerWaalsContact OD1-CZ 3.27Å; N133-F137 WeakPolarHBondContact OD1-CZ 3.31Å; F137-L140 HydrophobicContact CD1-CD1 4.21Å; F137-G141 PolarHBondContact O-N 3.23Å; F137-L254 HydrophobicContact CD1-CB 4.23Å; F137-L254 HydrophobicContact CD1-CG 4.17Å; F137-L254 HydrophobicContact CD2-CD2 4.11Å; F137-L254 HydrophobicContact CD2-CG 3.92Å; F137-L254 HydrophobicContact CE1-CB 3.95Å; F137-L254 HydrophobicContact CE1-CD2 4.16Å; F137-L254 HydrophobicContact CE1-CG 4Å; F137-L254 HydrophobicContact CE2-CD2 3.41Å; F137-L254 VanDerWaalsContact CE2-CD2 3.41Å; F137-L254 HydrophobicContact CE2-CG 3.71Å; F137-L254 HydrophobicContact CG-CG 4.16Å; F137-L254 HydrophobicContact CZ-CB 4.11Å; F137-L254 HydrophobicContact CZ-CD2 3.46Å; F137-L254 VanDerWaalsContact CZ-CD2 3.46Å; F137-L254 HydrophobicContact CZ-CG 3.77Å; F137-V258 HydrophobicContact CB-CB 4.45Å; F137-V258 HydrophobicContact CB-CG2 3.88Å
138A90.3Very high91.6Very high51 Ų5161.1 Ų61.142%0.42134%0.335SS..Hα-helixtrans-63.2-44.1170.200000111.6G134 I135 L136 G141 E142G134-A138 VanDerWaalsContact O-CB 3.32Å; G134-A138 WeakPolarHBondContact O-CB 3.28Å; G134-A138 PolarHBondContact O-N 3.3Å; I135-A138 PolarHBondContact O-N 3.37Å; L136-A138 PolarHBondContact O-N 3.39Å; A138-G141 PolarHBondContact O-N 3.48Å; A138-E142 PolarHBondContact O-N 2.95Å
139G93.1Very high91Very high44 Ų4458.8 Ų58.845%0.45432%0.322SS..Hα-helixtrans-63.2-43.9175.300000113.2I135 L136 E142 Y143I135-G139 PolarHBondContact O-N 2.89Å; L136-G139 PolarHBondContact O-N 2.9Å; G139-E142 PolarHBondContact O-N 3.24Å; G139-Y143 WeakPolarHBondContact O-CB 3.36Å; G139-Y143 PolarHBondContact O-N 3.49Å
140L92.4Very high90.6Very high28 Ų2860.2 Ų60.215%0.14733%0.333CS..Hα-helixtrans-64.9-43.6174.7-73.3167.9000111.9L136 F137 E142 Y143 F144 I251L136-L140 HydrophobicContact CD1-CD1 4.18Å; L136-L140 HydrophobicContact CD1-CG 4.45Å; L136-L140 HydrophobicContact CG-CD1 4.02Å; L136-L140 WeakPolarHBondContact O-CG 3.38Å; L136-L140 PolarHBondContact O-N 2.81Å; F137-L140 HydrophobicContact CD1-CD1 4.21Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-E142 PolarHBondContact O-N 2.88Å; L140-Y143 WeakPolarHBondContact O-CB 3.46Å; L140-Y143 PolarHBondContact O-N 3.48Å; L140-Y143 VanDerWaalsContact O-N 3.1Å; L140-F144 HydrophobicContact CB-CD2 4.44Å; L140-F144 HydrophobicContact CB-CE2 4.01Å; L140-F144 HydrophobicContact CD2-CZ 4.46Å; L140-F144 WeakPolarHBondContact O-CD2 3.35Å; L140-F144 WeakPolarHBondContact O-CG 3.32Å; L140-F144 PolarHBondContact O-N 3.44Å; L140-I251 HydrophobicContact CD1-CG2 3.6Å
141G91.1Very high90.1Very high3 Ų361.8 Ų61.83%0.03134%0.341CS..Hα-helixtrans-61.6-40.3176.500000112.6F137 A138 G145 G255 M259F137-G141 PolarHBondContact O-N 3.23Å; A138-G141 PolarHBondContact O-N 3.48Å; G141-G145 PolarHBondContact O-N 3.18Å; G141-G255 VanDerWaalsContact CA-O 3.28Å; G141-G255 WeakPolarHBondContact CA-O 3.22Å; G141-M259 WeakPolarHBondContact O-CG 3.39Å
142E89.9Confident89.5Confident98 Ų9861.1 Ų61.146%0.45833%0.329SS..Hα-helixtrans-64.8-41.3170.1-83-150.5-140.100112.9A138 G139 L140 G145 R146A138-E142 PolarHBondContact O-N 2.95Å; G139-E142 PolarHBondContact O-N 3.24Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-E142 PolarHBondContact O-N 2.88Å; E142-G145 PolarHBondContact O-N 2.83Å; E142-R146 WeakPolarHBondContact O-CB 3.28Å; E142-R146 WeakPolarHBondContact O-CD 3.1Å; E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.04Å; E142-R146 IonicContact OE2-CZ 3.75Å; E142-R146 IonicContact OE2-NE 3.35Å; E142-R146 PolarHBondContact OE2-NE 3.28Å; E142-R146 IonicContact OE2-NH2 2.69Å; E142-R146 PolarHBondContact OE2-NH2 3.37Å
143Y91.5Very high88.9Confident142 Ų14262.9 Ų62.956%0.55733%0.325SS*.Hα-helixtrans-62.2-47.8177.3175.4-100.2000111.9G139 L140 R146 T147G139-Y143 WeakPolarHBondContact O-CB 3.36Å; G139-Y143 PolarHBondContact O-N 3.49Å; L140-Y143 WeakPolarHBondContact O-CB 3.46Å; L140-Y143 PolarHBondContact O-N 3.48Å; L140-Y143 VanDerWaalsContact O-N 3.1Å; Y143-R146 PolarHBondContact O-N 2.75Å; Y143-T147 VanDerWaalsContact O-CB 3.28Å; Y143-T147 WeakPolarHBondContact O-CB 3.43Å; Y143-T147 PolarHBondContact O-N 2.95Å; Y143-T147 PolarHBondContact O-OG1 3.1Å
144F89.6Confident88.6Confident27 Ų2771.4 Ų71.412%0.11836%0.357CS..Hα-helixtrans-63.2-42.4175.2-62.9-48000111.5L140 T147 F148 F252 M259L140-F144 HydrophobicContact CB-CD2 4.44Å; L140-F144 HydrophobicContact CB-CE2 4.01Å; L140-F144 HydrophobicContact CD2-CZ 4.46Å; L140-F144 WeakPolarHBondContact O-CD2 3.35Å; L140-F144 WeakPolarHBondContact O-CG 3.32Å; L140-F144 PolarHBondContact O-N 3.44Å; F144-T147 PolarHBondContact O-N 3.42Å; F144-F148 WeakPolarHBondContact O-CB 3.39Å; F144-F148 PolarHBondContact O-N 3.31Å; F144-F252 AromaticContact CE1-CD1 3.9Å; F144-F252 HydrophobicContact CE1-CD1 3.9Å; F144-F252 HydrophobicContact CE1-CE1 4.33Å; F144-F252 WeakPolarHBondContact CE2-O 3.16Å; F144-F252 HydrophobicContact CZ-CB 4.06Å; F144-F252 AromaticContact CZ-CD1 3.57Å; F144-F252 HydrophobicContact CZ-CD1 3.57Å; F144-F252 HydrophobicContact CZ-CE1 4.25Å; F144-F252 AromaticContact CZ-CG 3.97Å; F144-F252 HydrophobicContact CZ-CG 3.97Å; F144-M259 HydrophobicContact CB-CB 4.28Å; F144-M259 HydrophobicContact CB-CG 4.08Å; F144-M259 HydrophobicContact CB-SD 3.73Å
145G87.1Confident88.2Confident8 Ų876 Ų768%0.08236%0.363CS..Hα-helixtrans-60.8-47.9177.100000112.8G141 E142 T147 F148 E149G141-G145 PolarHBondContact O-N 3.18Å; E142-G145 PolarHBondContact O-N 2.83Å; G145-T147 VanDerWaalsContact C-N 3.31Å; G145-T147 PolarHBondContact O-N 3.17Å; G145-F148 PolarHBondContact O-N 3.48Å; G145-E149 WeakPolarHBondContact O-CG 3.39Å; G145-E149 PolarHBondContact O-N 3.42Å
146R88.1Confident87.6Confident156 Ų15673.2 Ų73.259%0.58935%0.346SS*.Hα-helixtrans-61.5-38.9175.5-68.1165.6-171.5-155.57.1111.8E142 Y143 A150E142-R146 WeakPolarHBondContact O-CB 3.28Å; E142-R146 WeakPolarHBondContact O-CD 3.1Å; E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.04Å; E142-R146 IonicContact OE2-CZ 3.75Å; E142-R146 IonicContact OE2-NE 3.35Å; E142-R146 PolarHBondContact OE2-NE 3.28Å; E142-R146 IonicContact OE2-NH2 2.69Å; E142-R146 PolarHBondContact OE2-NH2 3.37Å; Y143-R146 PolarHBondContact O-N 2.75Å; R146-A150 WeakPolarHBondContact O-CB 3.34Å; R146-A150 PolarHBondContact O-N 3.24Å
147T88.6Confident87Confident48 Ų4876.8 Ų76.829%0.29436%0.358SS..Hα-helixtrans-69.4-47.1178.8-600000111.5Y143 F144 G145 A150 I151Y143-T147 VanDerWaalsContact O-CB 3.28Å; Y143-T147 WeakPolarHBondContact O-CB 3.43Å; Y143-T147 PolarHBondContact O-N 2.95Å; Y143-T147 PolarHBondContact O-OG1 3.1Å; F144-T147 PolarHBondContact O-N 3.42Å; G145-T147 VanDerWaalsContact C-N 3.31Å; G145-T147 PolarHBondContact O-N 3.17Å; T147-A150 WeakPolarHBondContact O-CB 3.4Å; T147-A150 PolarHBondContact O-N 3.16Å; T147-A150 VanDerWaalsContact O-N 3.09Å; T147-I151 HydrophobicContact CG2-CD1 3.96Å; T147-I151 WeakPolarHBondContact O-CG1 3.48Å; T147-I151 PolarHBondContact O-N 3.16Å
148F84.9Confident86.6Confident40 Ų4083.4 Ų83.418%0.17538%0.384CS..Hα-helixtrans-60.1-46.2174.7177.8-97.8000111.4F144 G145 A150 I151 Y152 I179 A180 F263F144-F148 WeakPolarHBondContact O-CB 3.39Å; F144-F148 PolarHBondContact O-N 3.31Å; G145-F148 PolarHBondContact O-N 3.48Å; F148-A150 VanDerWaalsContact C-N 3.29Å; F148-A150 PolarHBondContact O-N 2.88Å; F148-I151 PolarHBondContact O-N 2.83Å; F148-Y152 VanDerWaalsContact O-CB 3.28Å; F148-Y152 WeakPolarHBondContact O-CB 3.35Å; F148-Y152 PolarHBondContact O-N 2.85Å; F148-I179 HydrophobicContact CZ-CG2 4.18Å; F148-A180 HydrophobicContact CD1-CB 4.33Å; F148-A180 HydrophobicContact CE1-CB 3.76Å; F148-A180 HydrophobicContact CE2-CB 4.1Å; F148-A180 VanDerWaalsContact CZ-CA 3.43Å; F148-A180 HydrophobicContact CZ-CB 3.63Å; F148-F263 HydrophobicContact CD1-CZ 4.48Å
149E83.2Confident86Confident70 Ų7084.3 Ų84.333%0.32738%0.378SS..Hα-helixtrans-60.4-37.7173-72.9-177.2-169.300112.3G145 R153G145-E149 WeakPolarHBondContact O-CG 3.39Å; G145-E149 PolarHBondContact O-N 3.42Å; E149-R153 VanDerWaalsContact O-CB 3.22Å; E149-R153 WeakPolarHBondContact O-CB 3.09Å; E149-R153 WeakPolarHBondContact O-CG 3.44Å; E149-R153 PolarHBondContact O-N 2.79Å; E149-R153 PolarHBondContact O-NE 3.38Å; E149-R153 IonicContact OE2-CZ 3.21Å; E149-R153 VanDerWaalsContact OE2-CZ 3.24Å; E149-R153 IonicContact OE2-NH1 3.3Å; E149-R153 PolarHBondContact OE2-NH1 3.25Å; E149-R153 IonicContact OE2-NH2 2.61Å; E149-R153 PolarHBondContact OE2-NH2 2.91Å
150A85.8Confident85.1Confident39 Ų3986.2 Ų86.232%0.32238%0.376SS..Hα-helixtrans-67.2-42.6177.400000112R146 T147 F148 R153 R154R146-A150 WeakPolarHBondContact O-CB 3.34Å; R146-A150 PolarHBondContact O-N 3.24Å; T147-A150 WeakPolarHBondContact O-CB 3.4Å; T147-A150 PolarHBondContact O-N 3.16Å; T147-A150 VanDerWaalsContact O-N 3.09Å; F148-A150 VanDerWaalsContact C-N 3.29Å; F148-A150 PolarHBondContact O-N 2.88Å; A150-R153 PolarHBondContact O-N 3.21Å; A150-R154 WeakPolarHBondContact O-CB 3.25Å; A150-R154 WeakPolarHBondContact O-CG 3.18Å; A150-R154 PolarHBondContact O-N 2.61Å
151I85.4Confident84.5Confident102 Ų10289.3 Ų89.352%0.52340%0.401SS..Hα-helixtrans-63-49.4174-68165.9000110.1T147 F148 R153 R154 Y155T147-I151 HydrophobicContact CG2-CD1 3.96Å; T147-I151 WeakPolarHBondContact O-CG1 3.48Å; T147-I151 PolarHBondContact O-N 3.16Å; F148-I151 PolarHBondContact O-N 2.83Å; I151-R153 PolarHBondContact O-N 3.02Å; I151-R154 CarbonylContact O-C 3.58Å; I151-R154 WeakPolarHBondContact O-CB 3.05Å; I151-R154 PolarHBondContact O-N 2.87Å; I151-R154 VanDerWaalsContact O-N 3.08Å; I151-Y155 PolarHBondContact O-N 3.35Å
152Y83Confident83.9Confident63 Ų6393.3 Ų93.325%0.24742%0.424CS..Hα-helixtrans-61.3-40.7177.8179.6-107.3000112.3F148 Y155 K156 L171F148-Y152 VanDerWaalsContact O-CB 3.28Å; F148-Y152 WeakPolarHBondContact O-CB 3.35Å; F148-Y152 PolarHBondContact O-N 2.85Å; Y152-Y155 PolarHBondContact O-N 3.12Å; Y152-K156 VanDerWaalsContact O-CB 3.29Å; Y152-K156 WeakPolarHBondContact O-CB 3.33Å; Y152-K156 PolarHBondContact O-N 3.2Å; Y152-L171 WeakPolarHBondContact OH-CD1 3.39Å
153R82.2Confident83.1Confident129 Ų12992 Ų9249%0.48742%0.421SS..Hα-helixtrans-63.6-39.1171.9-77.7-179.1-72.1-116.4-0.3112.3E149 A150 I151 K157E149-R153 VanDerWaalsContact O-CB 3.22Å; E149-R153 WeakPolarHBondContact O-CB 3.09Å; E149-R153 WeakPolarHBondContact O-CG 3.44Å; E149-R153 PolarHBondContact O-N 2.79Å; E149-R153 PolarHBondContact O-NE 3.38Å; E149-R153 IonicContact OE2-CZ 3.21Å; E149-R153 VanDerWaalsContact OE2-CZ 3.24Å; E149-R153 IonicContact OE2-NH1 3.3Å; E149-R153 PolarHBondContact OE2-NH1 3.25Å; E149-R153 IonicContact OE2-NH2 2.61Å; E149-R153 PolarHBondContact OE2-NH2 2.91Å; A150-R153 PolarHBondContact O-N 3.21Å; I151-R153 PolarHBondContact O-N 3.02Å; R153-K157 WeakPolarHBondContact O-CB 3.5Å; R153-K157 VanDerWaalsContact O-CG 3.31Å; R153-K157 WeakPolarHBondContact O-CG 3.12Å; R153-K157 PolarHBondContact O-N 2.91Å
154R85.3Confident81.8Confident192 Ų19293.7 Ų93.773%0.72544%0.436SS*.Hα-helixtrans-66.1-48.7174.6-76.8176.1178.8-171.60.4111.5A150 I151 K156 K157 Y158A150-R154 WeakPolarHBondContact O-CB 3.25Å; A150-R154 WeakPolarHBondContact O-CG 3.18Å; A150-R154 PolarHBondContact O-N 2.61Å; I151-R154 CarbonylContact O-C 3.58Å; I151-R154 WeakPolarHBondContact O-CB 3.05Å; I151-R154 PolarHBondContact O-N 2.87Å; I151-R154 VanDerWaalsContact O-N 3.08Å; R154-K156 PolarHBondContact O-N 2.85Å; R154-K157 PolarHBondContact O-N 3.4Å; R154-Y158 WeakPolarHBondContact O-CB 3.44Å; R154-Y158 PolarHBondContact O-N 3.45Å
155Y82.8Confident80.8Confident134 Ų134100.1 Ų100.153%0.52547%0.466SS..Hα-helixtrans-58.2-46.6176.4176.6-96.5000111.9I151 Y152 K157 Y158 K159I151-Y155 PolarHBondContact O-N 3.35Å; Y152-Y155 PolarHBondContact O-N 3.12Å; Y155-K157 PolarHBondContact O-N 3.28Å; Y155-Y158 PolarHBondContact O-N 2.8Å; Y155-K159 PolarHBondContact O-N 2.94Å
156K80Confident79.7Confident68 Ų68102 Ų10230%0.29647%0.471SS..Hα-helixtrans-61-43.7176.1-177.2172.9178.4174.40112Y152 R154 M160Y152-K156 VanDerWaalsContact O-CB 3.29Å; Y152-K156 WeakPolarHBondContact O-CB 3.33Å; Y152-K156 PolarHBondContact O-N 3.2Å; R154-K156 PolarHBondContact O-N 2.85Å; K156-M160 HydrophobicContact CG-SD 3.91Å; K156-M160 WeakPolarHBondContact O-CB 3.36Å; K156-M160 VanDerWaalsContact O-CG 3.23Å; K156-M160 WeakPolarHBondContact O-CG 3.36Å; K156-M160 PolarHBondContact O-N 2.72Å
157K81.9Confident78.4Confident156 Ų156100.3 Ų100.368%0.67848%0.477SS*.Hα-helixtrans-61.8-45.6174.7-79.3-178.7174.9-1670112.1R153 R154 Y155 M160 S161R153-K157 WeakPolarHBondContact O-CB 3.5Å; R153-K157 VanDerWaalsContact O-CG 3.31Å; R153-K157 WeakPolarHBondContact O-CG 3.12Å; R153-K157 PolarHBondContact O-N 2.91Å; R154-K157 PolarHBondContact O-N 3.4Å; Y155-K157 PolarHBondContact O-N 3.28Å; K157-M160 PolarHBondContact O-N 3.31Å; K157-S161 PolarHBondContact O-N 3.39Å; K157-S161 PolarHBondContact O-OG 2.96Å
158Y81.7Confident77.1Confident154 Ų154100.3 Ų100.360%0.60448%0.478SS*.Hα-helixtrans-58.5-51.1177.3179.7-100.8000111R154 Y155 M160 S161 T162R154-Y158 WeakPolarHBondContact O-CB 3.44Å; R154-Y158 PolarHBondContact O-N 3.45Å; Y155-Y158 PolarHBondContact O-N 2.8Å; Y158-M160 VanDerWaalsContact C-N 3.33Å; Y158-M160 PolarHBondContact O-N 3.5Å; Y158-S161 WeakPolarHBondContact CA-OG 3.29Å; Y158-S161 WeakPolarHBondContact O-CA 3.5Å; Y158-S161 PolarHBondContact O-N 3.48Å; Y158-S161 PolarHBondContact O-OG 3.3Å; Y158-T162 HydrophobicContact CD1-CG2 4.29Å; Y158-T162 HydrophobicContact CD2-CG2 4.41Å; Y158-T162 HydrophobicContact CE1-CG2 3.83Å; Y158-T162 HydrophobicContact CE2-CG2 3.98Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 PolarHBondContact O-OG1 3.32Å
159K78.6Confident75.9Confident69 Ų69101.8 Ų101.830%0.349%0.492SS..Hα-helixtrans-61.6-39178.3-169.4163.8-175.9167.50112.8Y155 S161 T162 D163 Y166Y155-K159 PolarHBondContact O-N 2.94Å; K159-S161 VanDerWaalsContact C-N 3.28Å; K159-S161 PolarHBondContact O-N 3.09Å; K159-T162 WeakPolarHBondContact CA-OG1 3.28Å; K159-T162 PolarHBondContact O-N 3.1Å; K159-T162 PolarHBondContact O-OG1 2.83Å; K159-D163 WeakPolarHBondContact O-CB 3.37Å; K159-D163 PolarHBondContact O-N 2.83Å; K159-Y166 HydrophobicContact CB-CD1 4.45Å; K159-Y166 HydrophobicContact CB-CE1 4.46Å; K159-Y166 HydrophobicContact CD-CD2 4.01Å; K159-Y166 HydrophobicContact CD-CE1 4.37Å; K159-Y166 HydrophobicContact CD-CE2 3.83Å; K159-Y166 HydrophobicContact CD-CG 4.38Å; K159-Y166 HydrophobicContact CG-CD1 4.07Å; K159-Y166 HydrophobicContact CG-CD2 4.14Å; K159-Y166 HydrophobicContact CG-CE1 4.26Å; K159-Y166 HydrophobicContact CG-CE2 4.34Å; K159-Y166 HydrophobicContact CG-CG 4.01Å
160M74.8Confident74.7Confident84 Ų84106.8 Ų106.841%0.41452%0.515SS..Hα-helixtrans-64.4-27.2172.1-75.4173.9141.700113.8K156 K157 Y158 Y166 P168K156-M160 HydrophobicContact CG-SD 3.91Å; K156-M160 WeakPolarHBondContact O-CB 3.36Å; K156-M160 VanDerWaalsContact O-CG 3.23Å; K156-M160 WeakPolarHBondContact O-CG 3.36Å; K156-M160 PolarHBondContact O-N 2.72Å; K157-M160 PolarHBondContact O-N 3.31Å; Y158-M160 VanDerWaalsContact C-N 3.33Å; Y158-M160 PolarHBondContact O-N 3.5Å; M160-Y166 HydrophobicContact CG-CD1 3.67Å; M160-Y166 HydrophobicContact CG-CE1 4.15Å; M160-P168 HydrophobicContact CE-CB 3.97Å; M160-P168 HydrophobicContact CE-CG 3.67Å
161S79Confident73.4Confident94 Ų94107.6 Ų107.666%0.65751%0.514SS*.Hα-helixtrans-86-27.9176.159.40000114.1K157 Y158 K159K157-S161 PolarHBondContact O-N 3.39Å; K157-S161 PolarHBondContact O-OG 2.96Å; Y158-S161 WeakPolarHBondContact CA-OG 3.29Å; Y158-S161 WeakPolarHBondContact O-CA 3.5Å; Y158-S161 PolarHBondContact O-N 3.48Å; Y158-S161 PolarHBondContact O-OG 3.3Å; K159-S161 VanDerWaalsContact C-N 3.28Å; K159-S161 PolarHBondContact O-N 3.09Å
162T78.3Confident72.4Confident86 Ų86104 Ų10453%0.52850%0.502SS..Hα-helixtrans-85.5-28.2177.654.20000113.4Y158 K159Y158-T162 HydrophobicContact CD1-CG2 4.29Å; Y158-T162 HydrophobicContact CD2-CG2 4.41Å; Y158-T162 HydrophobicContact CE1-CG2 3.83Å; Y158-T162 HydrophobicContact CE2-CG2 3.98Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 PolarHBondContact O-OG1 3.32Å; K159-T162 WeakPolarHBondContact CA-OG1 3.28Å; K159-T162 PolarHBondContact O-N 3.1Å; K159-T162 PolarHBondContact O-OG1 2.83Å
163D73.6Confident71.7Confident72 Ų72103.8 Ų103.839%0.38551%0.505SS..  trans-128.493.8-171.8-176.90.3000109.7K159 H165 Y166K159-D163 WeakPolarHBondContact O-CB 3.37Å; K159-D163 PolarHBondContact O-N 2.83Å; D163-H165 PolarHBondContact O-N 2.95Å; D163-H165 VanDerWaalsContact O-N 3.1Å; D163-H165 PolarHBondContact OD1-N 2.99Å; D163-Y166 WeakPolarHBondContact O-CB 3.33Å; D163-Y166 PolarHBondContact O-N 2.98Å
164M63.3Low71.2Confident177 Ų177103.2 Ų103.287%0.87251%0.51SS*.THydrogen-bonded Turntrans-66.5-11.1-174.3-162.2169.372.500113.6
165H68.7Low70.6Confident162 Ų16296.9 Ų96.975%0.7549%0.493SS*.THydrogen-bonded Turntrans-102.67.9173.4-72.980.3000112.9D163 V167D163-H165 PolarHBondContact O-N 2.95Å; D163-H165 VanDerWaalsContact O-N 3.1Å; D163-H165 PolarHBondContact OD1-N 2.99Å; H165-V167 VanDerWaalsContact C-N 3.3Å; H165-V167 PolarHBondContact O-N 2.6Å
166Y65Low70.2Confident47 Ų4792.5 Ų92.518%0.18448%0.48CS..  trans-71.181.6177.8-178-111000112.4K159 M160 D163 P168K159-Y166 HydrophobicContact CB-CD1 4.45Å; K159-Y166 HydrophobicContact CB-CE1 4.46Å; K159-Y166 HydrophobicContact CD-CD2 4.01Å; K159-Y166 HydrophobicContact CD-CE1 4.37Å; K159-Y166 HydrophobicContact CD-CE2 3.83Å; K159-Y166 HydrophobicContact CD-CG 4.38Å; K159-Y166 HydrophobicContact CG-CD1 4.07Å; K159-Y166 HydrophobicContact CG-CD2 4.14Å; K159-Y166 HydrophobicContact CG-CE1 4.26Å; K159-Y166 HydrophobicContact CG-CE2 4.34Å; K159-Y166 HydrophobicContact CG-CG 4.01Å; M160-Y166 HydrophobicContact CG-CD1 3.67Å; M160-Y166 HydrophobicContact CG-CE1 4.15Å; D163-Y166 WeakPolarHBondContact O-CB 3.33Å; D163-Y166 PolarHBondContact O-N 2.98Å; Y166-P168 HydrophobicContact CE1-CB 4.33Å; Y166-P168 WeakPolarHBondContact O-CD 3.36Å
167V61.4Low70.1Confident121 Ų12190.7 Ų90.773%0.73348%0.475SS*.PPolyproline II helixtrans-60.3117.9160.8-178.20000107.2H165 P169H165-V167 VanDerWaalsContact C-N 3.3Å; H165-V167 PolarHBondContact O-N 2.6Å; V167-P169 VanDerWaalsContact O-CD 3.24Å; V167-P169 WeakPolarHBondContact O-CD 3.23Å
168P59.7Low70Confident48 Ų4886.7 Ų86.731%0.31246%0.463SS..PPolyproline II helixtrans-68.5118.4178.827.8-33.4000108.7M160 Y166M160-P168 HydrophobicContact CE-CB 3.97Å; M160-P168 HydrophobicContact CE-CG 3.67Å; Y166-P168 HydrophobicContact CE1-CB 4.33Å; Y166-P168 WeakPolarHBondContact O-CD 3.36Å
169P59.7Low70Confident71 Ų7182.4 Ų82.446%0.46145%0.45SS..PPolyproline II helixtrans-57.2145.3175.720.3-29.3000110V167 L171V167-P169 VanDerWaalsContact O-CD 3.24Å; V167-P169 WeakPolarHBondContact O-CD 3.23Å; P169-L171 HydrophobicContact CB-CG 4.3Å; P169-L171 HydrophobicContact CG-CD1 4.28Å; P169-L171 HydrophobicContact CG-CD2 4.19Å; P169-L171 HydrophobicContact CG-CG 3.97Å; P169-L171 PolarHBondContact O-N 2.95Å
170Q59.1Low70Confident175 Ų17579.3 Ų79.382%0.81844%0.438SS*.  trans-72.861.9172.9-68.9-159.23600110.7G172Q170-G172 PolarHBondContact O-N 3.3Å
171L58.1Low70.5Confident56 Ų5678.5 Ų78.529%0.29343%0.434SS..  trans-48.2124-176.1-71.5160.6000109.9Y152 P169 T175 T176Y152-L171 WeakPolarHBondContact OH-CD1 3.39Å; P169-L171 HydrophobicContact CB-CG 4.3Å; P169-L171 HydrophobicContact CG-CD1 4.28Å; P169-L171 HydrophobicContact CG-CD2 4.19Å; P169-L171 HydrophobicContact CG-CG 3.97Å; P169-L171 PolarHBondContact O-N 2.95Å; L171-T175 HydrophobicContact CD2-CG2 3.63Å; L171-T176 HydrophobicContact CB-CG2 4.41Å
172G65.3Low70.8Confident27 Ų2779.1 Ų79.128%0.27843%0.429SS..  trans-59.7151.3173.300000109.5Q170 I174 T175 T176Q170-G172 PolarHBondContact O-N 3.3Å; G172-I174 PolarHBondContact O-N 2.66Å; G172-T175 PolarHBondContact N-OG1 3.47Å; G172-T175 WeakPolarHBondContact O-CA 3.26Å; G172-T175 WeakPolarHBondContact O-CB 3.46Å; G172-T175 PolarHBondContact O-N 3.3Å; G172-T175 PolarHBondContact O-OG1 3.27Å; G172-T176 PolarHBondContact O-N 3.43Å; G172-T176 VanDerWaalsContact O-N 3.09Å
173L67.7Low71.2Confident58 Ų5878.1 Ų78.130%0.30442%0.424SS..Hα-helixtrans-58.7-36.7176.6-159.5166.3000110.1T175 T176 V177L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 2.95Å; L173-T176 WeakPolarHBondContact CA-OG1 3.15Å; L173-T176 PolarHBondContact O-N 2.96Å; L173-T176 PolarHBondContact O-OG1 2.94Å; L173-V177 HydrophobicContact CD2-CG2 3.75Å; L173-V177 WeakPolarHBondContact O-CG2 3.46Å; L173-V177 PolarHBondContact O-N 3.04Å
174I70.5Confident71.7Confident117 Ų11774.9 Ų74.960%0.641%0.407SS*.Hα-helixtrans-49.6-50168-58.2172.4000111.3G172 T176 V177 V178G172-I174 PolarHBondContact O-N 2.66Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 2.91Å; I174-V177 PolarHBondContact O-N 3.15Å; I174-V177 VanDerWaalsContact O-N 3.14Å; I174-V178 WeakPolarHBondContact O-CG2 3.4Å; I174-V178 PolarHBondContact O-N 3.42Å
175T74.7Confident72.9Confident59 Ų5969.8 Ų69.836%0.36238%0.383SS..Hα-helixtrans-63.8-37.5178.9-32.50000111.9L171 G172 L173 V177 V178 I179L171-T175 HydrophobicContact CD2-CG2 3.63Å; G172-T175 PolarHBondContact N-OG1 3.47Å; G172-T175 WeakPolarHBondContact O-CA 3.26Å; G172-T175 WeakPolarHBondContact O-CB 3.46Å; G172-T175 PolarHBondContact O-N 3.3Å; G172-T175 PolarHBondContact O-OG1 3.27Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 2.95Å; T175-V177 VanDerWaalsContact C-N 3.35Å; T175-V178 PolarHBondContact O-N 2.85Å; T175-I179 HydrophobicContact CG2-CD1 4.18Å; T175-I179 WeakPolarHBondContact O-CB 3.26Å; T175-I179 WeakPolarHBondContact O-CD1 3.42Å; T175-I179 WeakPolarHBondContact O-CG1 3.5Å; T175-I179 PolarHBondContact O-N 2.98Å
176T73.4Confident73.9Confident41 Ų4164.3 Ų64.325%0.25237%0.366SS..Hα-helixtrans-68.3-31.3174.157.80000113.3L171 G172 L173 I174 A180L171-T176 HydrophobicContact CB-CG2 4.41Å; G172-T176 PolarHBondContact O-N 3.43Å; G172-T176 VanDerWaalsContact O-N 3.09Å; L173-T176 WeakPolarHBondContact CA-OG1 3.15Å; L173-T176 PolarHBondContact O-N 2.96Å; L173-T176 PolarHBondContact O-OG1 2.94Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 2.91Å; T176-A180 WeakPolarHBondContact O-CB 3.26Å; T176-A180 PolarHBondContact O-N 3.39Å
177V77.2Confident75.1Confident30 Ų3066.6 Ų66.618%0.18238%0.381CS..Hα-helixtrans-71.4-41.1173.4170.40000111.1L173 I174 T175 A180 L181 F263 I264L173-V177 HydrophobicContact CD2-CG2 3.75Å; L173-V177 WeakPolarHBondContact O-CG2 3.46Å; L173-V177 PolarHBondContact O-N 3.04Å; I174-V177 PolarHBondContact O-N 3.15Å; I174-V177 VanDerWaalsContact O-N 3.14Å; T175-V177 VanDerWaalsContact C-N 3.35Å; V177-A180 WeakPolarHBondContact O-CB 3.16Å; V177-A180 PolarHBondContact O-N 3.49Å; V177-L181 WeakPolarHBondContact O-CB 3.45Å; V177-L181 PolarHBondContact O-N 3.14Å; V177-F263 HydrophobicContact CG2-CB 4.41Å; V177-I264 HydrophobicContact CG1-CG1 4.3Å
178V81Confident76.5Confident73 Ų7361.7 Ų61.744%0.44235%0.35SS..Hα-helixtrans-63.6-43.8174.9172.50000111.2I174 T175 A180 L181 I182I174-V178 WeakPolarHBondContact O-CG2 3.4Å; I174-V178 PolarHBondContact O-N 3.42Å; T175-V178 PolarHBondContact O-N 2.85Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3.48Å; V178-L181 PolarHBondContact O-N 3.27Å; V178-I182 HydrophobicContact CG1-CD1 4.02Å; V178-I182 WeakPolarHBondContact O-CD1 3.46Å; V178-I182 WeakPolarHBondContact O-CG1 3.48Å; V178-I182 PolarHBondContact O-N 2.95Å
179I81.3Confident78.1Confident64 Ų6460.9 Ų60.933%0.32834%0.343SS..Hα-helixtrans-64.9-30.1176-65.5164.2000111.5F148 T175 P183F148-I179 HydrophobicContact CZ-CG2 4.18Å; T175-I179 HydrophobicContact CG2-CD1 4.18Å; T175-I179 WeakPolarHBondContact O-CB 3.26Å; T175-I179 WeakPolarHBondContact O-CD1 3.42Å; T175-I179 WeakPolarHBondContact O-CG1 3.5Å; T175-I179 PolarHBondContact O-N 2.98Å; I179-P183 WeakPolarHBondContact O-CD 3.28Å
180A78.6Confident79.7Confident4 Ų460.9 Ų60.93%0.03334%0.339CS..Hα-helixtrans-71.9-44.5171.300000112.1F148 T176 V177 V178 I182 P183 Y256 M259F148-A180 HydrophobicContact CD1-CB 4.33Å; F148-A180 HydrophobicContact CE1-CB 3.76Å; F148-A180 HydrophobicContact CE2-CB 4.1Å; F148-A180 VanDerWaalsContact CZ-CA 3.43Å; F148-A180 HydrophobicContact CZ-CB 3.63Å; T176-A180 WeakPolarHBondContact O-CB 3.26Å; T176-A180 PolarHBondContact O-N 3.39Å; V177-A180 WeakPolarHBondContact O-CB 3.16Å; V177-A180 PolarHBondContact O-N 3.49Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3.48Å; A180-I182 PolarHBondContact O-N 2.84Å; A180-P183 VanDerWaalsContact O-CD 3.27Å; A180-P183 WeakPolarHBondContact O-CD 3.46Å; A180-P183 WeakPolarHBondContact O-CG 3.39Å; A180-Y256 PolarHBondContact O-OH 3.23Å; A180-M259 HydrophobicContact CB-CE 4.44Å
181L84.6Confident81.2Confident66 Ų6657 Ų5735%0.34632%0.323SS..Hα-helixtrans-61.2-43.7-174.8-178.763.3000113.3V177 V178 G184 I185 I260V177-L181 WeakPolarHBondContact O-CB 3.45Å; V177-L181 PolarHBondContact O-N 3.14Å; V178-L181 PolarHBondContact O-N 3.27Å; L181-G184 WeakPolarHBondContact O-CA 3.42Å; L181-G184 PolarHBondContact O-N 3.41Å; L181-G184 VanDerWaalsContact O-N 3.1Å; L181-I185 HydrophobicContact CD1-CD1 4.09Å; L181-I185 HydrophobicContact CD1-CG1 4.17Å; L181-I185 HydrophobicContact CD2-CD1 4.24Å; L181-I185 HydrophobicContact CG-CD1 3.79Å; L181-I185 HydrophobicContact CG-CG1 4.27Å; L181-I185 PolarHBondContact O-N 3.36Å; L181-I260 HydrophobicContact CD1-CD1 3.63Å
182I86Confident82.9Confident108 Ų10854.3 Ų54.355%0.55431%0.309SS*.Hα-helixtrans-53.6-57.4-174.5-68.9161.6000113.8V178 A180 G184 I185 A186V178-I182 HydrophobicContact CG1-CD1 4.02Å; V178-I182 WeakPolarHBondContact O-CD1 3.46Å; V178-I182 WeakPolarHBondContact O-CG1 3.48Å; V178-I182 PolarHBondContact O-N 2.95Å; A180-I182 PolarHBondContact O-N 2.84Å; I182-G184 PolarHBondContact O-N 2.93Å; I182-I185 PolarHBondContact O-N 3.09Å; I182-A186 PolarHBondContact O-N 3.45Å
183P85.4Confident84.2Confident65 Ų6553 Ų5342%0.42230%0.295SS..Hα-helixtrans-63.2-26.9178.525.3-35.3000112.7I179 A180 L187I179-P183 WeakPolarHBondContact O-CD 3.28Å; A180-P183 VanDerWaalsContact O-CD 3.27Å; A180-P183 WeakPolarHBondContact O-CD 3.46Å; A180-P183 WeakPolarHBondContact O-CG 3.39Å; P183-L187 VanDerWaalsContact O-CB 3.28Å; P183-L187 WeakPolarHBondContact O-CB 3.38Å; P183-L187 PolarHBondContact O-N 3.22Å
184G85.9Confident85.4Confident3 Ų359 Ų593%0.03131%0.314CS..Hα-helixtrans-64.3-49.317300000113.6L181 I182 A186 L187 F188 Y256L181-G184 WeakPolarHBondContact O-CA 3.42Å; L181-G184 PolarHBondContact O-N 3.41Å; L181-G184 VanDerWaalsContact O-N 3.1Å; I182-G184 PolarHBondContact O-N 2.93Å; G184-A186 VanDerWaalsContact C-N 3.28Å; G184-A186 PolarHBondContact O-N 3.22Å; G184-L187 PolarHBondContact O-N 2.97Å; G184-F188 WeakPolarHBondContact O-CB 3.27Å; G184-F188 PolarHBondContact O-N 2.92Å; G184-Y256 WeakPolarHBondContact CA-OH 3.32Å
185I88.6Confident86.3Confident70 Ų7054.6 Ų54.636%0.35929%0.292SS..Hα-helixtrans-58.7-43.9176.2-67.2172.9000109.9L181 I182 L189 L190L181-I185 HydrophobicContact CD1-CD1 4.09Å; L181-I185 HydrophobicContact CD1-CG1 4.17Å; L181-I185 HydrophobicContact CD2-CD1 4.24Å; L181-I185 HydrophobicContact CG-CD1 3.79Å; L181-I185 HydrophobicContact CG-CG1 4.27Å; L181-I185 PolarHBondContact O-N 3.36Å; I182-I185 PolarHBondContact O-N 3.09Å; I185-L189 HydrophobicContact CG1-CD1 4.45Å; I185-L189 HydrophobicContact CG2-CD1 4.41Å; I185-L189 WeakPolarHBondContact O-CA 3.18Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 PolarHBondContact O-N 2.86Å; I185-L189 VanDerWaalsContact O-N 3.12Å; I185-L190 HydrophobicContact CG2-CD1 4.47Å; I185-L190 HydrophobicContact CG2-CG 4.31Å; I185-L190 PolarHBondContact O-N 2.92Å
186A89.1Confident87.1Confident48 Ų4851.8 Ų51.840%0.39728%0.275SS..Iπ-helixtrans-62.2-48.317800000113.1I182 G184 L191I182-A186 PolarHBondContact O-N 3.45Å; G184-A186 VanDerWaalsContact C-N 3.28Å; G184-A186 PolarHBondContact O-N 3.22Å; A186-L191 WeakPolarHBondContact O-CB 3.37Å; A186-L191 PolarHBondContact O-N 2.77Å
187L89.9Confident87.9Confident95 Ų9552 Ų5250%0.49728%0.276SS..Iπ-helixtrans-83.9-33.1-171.5-167.8147.7000113.7P183 G184 P192P183-L187 VanDerWaalsContact O-CB 3.28Å; P183-L187 WeakPolarHBondContact O-CB 3.38Å; P183-L187 PolarHBondContact O-N 3.22Å; G184-L187 PolarHBondContact O-N 2.97Å; L187-P192 WeakPolarHBondContact O-CD 3.33Å
188F90.6Very high88.4Confident18 Ų1858.5 Ų58.58%0.07930%0.299CS..Iπ-helixtrans-107-12.9-173.8-67.6-65.2000115.1G184 P192 W249 F252 S253 Y256G184-F188 WeakPolarHBondContact O-CB 3.27Å; G184-F188 PolarHBondContact O-N 2.92Å; F188-P192 VanDerWaalsContact O-CG 3.27Å; F188-P192 WeakPolarHBondContact O-CG 3.35Å; F188-W249 PolarHBondContact O-NE1 2.7Å; F188-F252 HydrophobicContact CE1-CB 3.68Å; F188-F252 HydrophobicContact CZ-CB 4.1Å; F188-S253 VanDerWaalsContact CD1-CA 3.48Å; F188-Y256 AromaticContact CD2-CD1 3.38Å; F188-Y256 HydrophobicContact CD2-CD1 3.38Å; F188-Y256 HydrophobicContact CD2-CD2 4.16Å; F188-Y256 HydrophobicContact CD2-CE1 4.01Å; F188-Y256 AromaticContact CD2-CG 3.49Å; F188-Y256 HydrophobicContact CD2-CG 3.49Å; F188-Y256 VanDerWaalsContact CD2-CG 3.49Å; F188-Y256 VanDerWaalsContact CE2-CB 3.45Å; F188-Y256 AromaticContact CE2-CD1 3.74Å; F188-Y256 HydrophobicContact CE2-CD1 3.74Å; F188-Y256 AromaticContact CE2-CD2 3.67Å; F188-Y256 HydrophobicContact CE2-CD2 3.67Å; F188-Y256 HydrophobicContact CE2-CE1 4.49Å; F188-Y256 HydrophobicContact CE2-CE2 4.42Å; F188-Y256 AromaticContact CE2-CG 3.3Å; F188-Y256 HydrophobicContact CE2-CG 3.3Å; F188-Y256 HydrophobicContact CG-CD1 4.28Å; F188-Y256 HydrophobicContact CZ-CG 4.23Å
189L92.7Very high88.5Confident30 Ų3058.1 Ų58.116%0.15729%0.292CS..Iπ-helixtrans-115.5-59172.1-57.4176.3000111.5I185 P192 S193 Y212 T215I185-L189 HydrophobicContact CG1-CD1 4.45Å; I185-L189 HydrophobicContact CG2-CD1 4.41Å; I185-L189 WeakPolarHBondContact O-CA 3.18Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 PolarHBondContact O-N 2.86Å; I185-L189 VanDerWaalsContact O-N 3.12Å; L189-P192 WeakPolarHBondContact O-CD 3.31Å; L189-P192 WeakPolarHBondContact O-CG 3.34Å; L189-S193 WeakPolarHBondContact O-CB 3.31Å; L189-S193 PolarHBondContact O-N 3.4Å; L189-S193 PolarHBondContact O-OG 2.66Å; L189-Y212 HydrophobicContact CD1-CD2 4.33Å; L189-T215 HydrophobicContact CD2-CG2 4.21Å
190L93.4Very high88.6Confident72 Ų7255.7 Ų55.738%0.37728%0.279SS..Iπ-helixtrans-69.7-49.2-171.1-55-178.8000113.3I185 S193 W194 L208I185-L190 HydrophobicContact CG2-CD1 4.47Å; I185-L190 HydrophobicContact CG2-CG 4.31Å; I185-L190 PolarHBondContact O-N 2.92Å; L190-S193 WeakPolarHBondContact O-CB 3.44Å; L190-S193 PolarHBondContact O-N 2.85Å; L190-W194 PolarHBondContact O-N 3.08Å; L190-L208 HydrophobicContact CD2-CD1 3.74Å
191L92.3Very high88.9Confident92 Ų9261.9 Ų61.948%0.48231%0.311SS..Hα-helixtrans-56.6-53.5178-171.1165000113.1A186 S193 W194 V195A186-L191 WeakPolarHBondContact O-CB 3.37Å; A186-L191 PolarHBondContact O-N 2.77Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.77Å; L191-W194 WeakPolarHBondContact O-CB 3.24Å; L191-W194 PolarHBondContact O-N 3.03Å; L191-V195 HydrophobicContact CD2-CG2 4.34Å; L191-V195 PolarHBondContact O-N 3.41Å
192P92Very high89.1Confident0 Ų060.4 Ų60.40%030%0.301CS..Hα-helixtrans-66.3-30.4179.327.2-36.6000112.6L187 F188 L189 W194 V195 F196 W249L187-P192 WeakPolarHBondContact O-CD 3.33Å; F188-P192 VanDerWaalsContact O-CG 3.27Å; F188-P192 WeakPolarHBondContact O-CG 3.35Å; L189-P192 WeakPolarHBondContact O-CD 3.31Å; L189-P192 WeakPolarHBondContact O-CG 3.34Å; P192-W194 PolarHBondContact O-N 3.48Å; P192-V195 WeakPolarHBondContact O-CA 3.42Å; P192-V195 WeakPolarHBondContact O-CB 3.22Å; P192-V195 PolarHBondContact O-N 2.85Å; P192-F196 HydrophobicContact CB-CD2 4.25Å; P192-F196 HydrophobicContact CB-CE2 3.85Å; P192-F196 WeakPolarHBondContact O-CD2 3.48Å; P192-F196 PolarHBondContact O-N 2.81Å; P192-W249 HydrophobicContact CB-CD2 4.24Å; P192-W249 HydrophobicContact CB-CG 4.37Å; P192-W249 HydrophobicContact CB-CZ2 4.23Å; P192-W249 HydrophobicContact CG-CZ2 4.15Å
193S93.5Very high89.5Confident0 Ų058.7 Ų58.70%030%0.297CS..Hα-helixtrans-57.9-38.2174.1-58.40000112.5L189 L190 L191 T197 Y204 S207 L208 S211L189-S193 WeakPolarHBondContact O-CB 3.31Å; L189-S193 PolarHBondContact O-N 3.4Å; L189-S193 PolarHBondContact O-OG 2.66Å; L190-S193 WeakPolarHBondContact O-CB 3.44Å; L190-S193 PolarHBondContact O-N 2.85Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.77Å; S193-T197 PolarHBondContact O-N 2.82Å; S193-T197 VanDerWaalsContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 2.92Å; S193-Y204 VanDerWaalsContact CB-CE2 3.45Å; S193-S207 WeakPolarHBondContact O-CB 3.46Å; S193-L208 WeakPolarHBondContact OG-CA 3.49Å; S193-S211 PolarHBondContact OG-OG 3.43Å
194W92.3Very high89.9Confident185 Ų18560.4 Ų60.470%0.70130%0.296SS*.Hα-helixtrans-67.3-38.9175.1179.973.2000112L190 L191 P192 T197 Y198 Y204L190-W194 PolarHBondContact O-N 3.08Å; L191-W194 WeakPolarHBondContact O-CB 3.24Å; L191-W194 PolarHBondContact O-N 3.03Å; P192-W194 PolarHBondContact O-N 3.48Å; W194-T197 PolarHBondContact O-N 3.25Å; W194-Y198 PolarHBondContact O-N 3.07Å; W194-Y204 HydrophobicContact CB-CE2 4.44Å
195V90.7Very high90.3Very high23 Ų2364.2 Ų64.214%0.13932%0.322CS..Hα-helixtrans-64.5-45.7174.9-178.70000111.2L191 P192 T197 Y198 F199 Y242 F245L191-V195 HydrophobicContact CD2-CG2 4.34Å; L191-V195 PolarHBondContact O-N 3.41Å; P192-V195 WeakPolarHBondContact O-CA 3.42Å; P192-V195 WeakPolarHBondContact O-CB 3.22Å; P192-V195 PolarHBondContact O-N 2.85Å; V195-T197 VanDerWaalsContact C-N 3.35Å; V195-T197 PolarHBondContact O-N 3.1Å; V195-Y198 PolarHBondContact O-N 3.35Å; V195-Y198 VanDerWaalsContact O-N 3.1Å; V195-F199 HydrophobicContact CG1-CD2 3.66Å; V195-F199 HydrophobicContact CG1-CE2 3.9Å; V195-F199 WeakPolarHBondContact O-CD2 3.43Å; V195-F199 PolarHBondContact O-N 2.99Å; V195-Y242 HydrophobicContact CG1-CD2 4.46Å; V195-Y242 HydrophobicContact CG1-CE2 4.4Å; V195-F245 HydrophobicContact CB-CE1 4.23Å; V195-F245 HydrophobicContact CG1-CD1 4.28Å; V195-F245 HydrophobicContact CG1-CE1 3.79Å; V195-F245 HydrophobicContact CG1-CZ 4.38Å; V195-F245 HydrophobicContact CG2-CE1 4.43Å; V195-F245 HydrophobicContact CG2-CZ 4.25Å
196F90.3Very high90.5Very high0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-63.4-37.5178.4-69.5-55.6000112.9P192 Y198 F199 E200 Y210 S211 P225 Y242 V246 W249P192-F196 HydrophobicContact CB-CD2 4.25Å; P192-F196 HydrophobicContact CB-CE2 3.85Å; P192-F196 WeakPolarHBondContact O-CD2 3.48Å; P192-F196 PolarHBondContact O-N 2.81Å; F196-Y198 VanDerWaalsContact C-N 3.27Å; F196-Y198 PolarHBondContact O-N 2.98Å; F196-F199 PolarHBondContact O-N 3.29Å; F196-E200 HydrophobicContact CD1-CG 4.44Å; F196-E200 WeakPolarHBondContact O-CB 3.26Å; F196-E200 PolarHBondContact O-N 3.3Å; F196-Y210 HydrophobicContact CD1-CE1 4.3Å; F196-Y210 AromaticContact CD2-CD1 3.89Å; F196-Y210 HydrophobicContact CD2-CD1 3.89Å; F196-Y210 HydrophobicContact CD2-CE1 4.05Å; F196-Y210 AromaticContact CE1-CE1 3.93Å; F196-Y210 HydrophobicContact CE1-CE1 3.93Å; F196-Y210 AromaticContact CE2-CD1 3.91Å; F196-Y210 HydrophobicContact CE2-CD1 3.91Å; F196-Y210 AromaticContact CE2-CE1 3.64Å; F196-Y210 HydrophobicContact CE2-CE1 3.64Å; F196-Y210 HydrophobicContact CG-CD1 4.24Å; F196-Y210 HydrophobicContact CG-CE1 4.4Å; F196-Y210 HydrophobicContact CZ-CD1 4.29Å; F196-Y210 AromaticContact CZ-CE1 3.61Å; F196-Y210 HydrophobicContact CZ-CE1 3.61Å; F196-S211 WeakPolarHBondContact CD2-OG 3.19Å; F196-P225 HydrophobicContact CD1-CG 4.41Å; F196-P225 HydrophobicContact CE1-CG 3.94Å; F196-Y242 HydrophobicContact CD1-CE2 4.17Å; F196-Y242 VanDerWaalsContact CD1-OH 3.25Å; F196-Y242 WeakPolarHBondContact CD1-OH 3.12Å; F196-Y242 HydrophobicContact CE1-CE2 4.02Å; F196-Y242 WeakPolarHBondContact CE1-OH 3.24Å; F196-V246 HydrophobicContact CE1-CG2 3.77Å; F196-V246 HydrophobicContact CZ-CG2 4.16Å; F196-W249 HydrophobicContact CE2-CE3 4.15Å; F196-W249 AromaticContact CE2-CH2 3.75Å; F196-W249 HydrophobicContact CE2-CH2 3.75Å; F196-W249 HydrophobicContact CE2-CZ2 4.23Å; F196-W249 AromaticContact CE2-CZ3 3.72Å; F196-W249 HydrophobicContact CE2-CZ3 3.72Å; F196-W249 AromaticContact CZ-CE3 3.81Å; F196-W249 HydrophobicContact CZ-CE3 3.81Å; F196-W249 HydrophobicContact CZ-CH2 4.06Å; F196-W249 AromaticContact CZ-CZ3 3.53Å; F196-W249 HydrophobicContact CZ-CZ3 3.53Å
197T90.4Very high90.7Very high45 Ų4560.5 Ų60.528%0.27630%0.296SS..Hα-helixtrans-63.3-31.5173-77.30000113.1S193 W194 V195 N201 W202 Y204 S207S193-T197 PolarHBondContact O-N 2.82Å; S193-T197 VanDerWaalsContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 2.92Å; W194-T197 PolarHBondContact O-N 3.25Å; V195-T197 VanDerWaalsContact C-N 3.35Å; V195-T197 PolarHBondContact O-N 3.1Å; T197-N201 WeakPolarHBondContact O-CA 3.34Å; T197-W202 VanDerWaalsContact CA-O 3.32Å; T197-W202 WeakPolarHBondContact CA-O 3.28Å; T197-W202 VanDerWaalsContact CB-O 3.28Å; T197-W202 WeakPolarHBondContact CB-O 3.32Å; T197-W202 WeakPolarHBondContact CG2-O 3.27Å; T197-W202 PolarHBondContact OG1-O 3.02Å; T197-Y204 VanDerWaalsContact OG1-CA 3.31Å; T197-Y204 WeakPolarHBondContact OG1-CA 3.33Å; T197-Y204 PolarHBondContact OG1-N 3.25Å; T197-S207 PolarHBondContact N-OG 3.45Å; T197-S207 PolarHBondContact OG1-OG 3.47Å
198Y87.1Confident91Very high168 Ų16859 Ų5966%0.65929%0.288SS*.Hα-helixtrans-77.4-43.6176.1-178.1-101.8000113.2W194 V195 F196W194-Y198 PolarHBondContact O-N 3.07Å; V195-Y198 PolarHBondContact O-N 3.35Å; V195-Y198 VanDerWaalsContact O-N 3.1Å; F196-Y198 VanDerWaalsContact C-N 3.27Å; F196-Y198 PolarHBondContact O-N 2.98Å
199F83.7Confident91.2Very high65 Ų6562.1 Ų62.129%0.28530%0.3SS..Hα-helixtrans-83.9-41.4-175.7-79.4-82.1000114.1V195 F196 Y242V195-F199 HydrophobicContact CG1-CD2 3.66Å; V195-F199 HydrophobicContact CG1-CE2 3.9Å; V195-F199 WeakPolarHBondContact O-CD2 3.43Å; V195-F199 PolarHBondContact O-N 2.99Å; F196-F199 PolarHBondContact O-N 3.29Å; F199-Y242 HydrophobicContact CB-CD1 4.41Å; F199-Y242 HydrophobicContact CB-CD2 4.15Å; F199-Y242 HydrophobicContact CB-CE1 4.07Å; F199-Y242 HydrophobicContact CB-CE2 3.81Å; F199-Y242 HydrophobicContact CB-CG 4.44Å; F199-Y242 HydrophobicContact CD1-CD1 4.19Å; F199-Y242 HydrophobicContact CD1-CD2 4.16Å; F199-Y242 AromaticContact CD1-CG 3.92Å; F199-Y242 HydrophobicContact CD1-CG 3.92Å; F199-Y242 AromaticContact CD2-CD2 3.71Å; F199-Y242 HydrophobicContact CD2-CD2 3.71Å; F199-Y242 AromaticContact CD2-CE2 3.99Å; F199-Y242 HydrophobicContact CD2-CE2 3.99Å; F199-Y242 HydrophobicContact CD2-CG 4.3Å; F199-Y242 HydrophobicContact CE1-CG 4.23Å; F199-Y242 HydrophobicContact CE2-CD2 4.13Å; F199-Y242 HydrophobicContact CG-CD1 4.32Å; F199-Y242 AromaticContact CG-CD2 3.73Å; F199-Y242 HydrophobicContact CG-CD2 3.73Å; F199-Y242 HydrophobicContact CG-CE1 4.45Å; F199-Y242 AromaticContact CG-CE2 3.91Å; F199-Y242 HydrophobicContact CG-CE2 3.91Å; F199-Y242 AromaticContact CG-CG 3.96Å; F199-Y242 HydrophobicContact CG-CG 3.96Å
200E84Confident91.2Very high12 Ų1260.8 Ų60.86%0.05629%0.292CS..SBendtrans-94.5-3.5-176.6-55-67158.100113F196 W202 P225 T226 Q231 Y242F196-E200 HydrophobicContact CD1-CG 4.44Å; F196-E200 WeakPolarHBondContact O-CB 3.26Å; F196-E200 PolarHBondContact O-N 3.3Å; E200-W202 HydrophobicContact CB-CD2 3.6Å; E200-W202 HydrophobicContact CB-CE3 4.11Å; E200-W202 HydrophobicContact CB-CG 3.82Å; E200-W202 HydrophobicContact CB-CH2 4.5Å; E200-W202 HydrophobicContact CB-CZ2 4.04Å; E200-W202 HydrophobicContact CG-CD2 4.24Å; E200-W202 HydrophobicContact CG-CE3 4.33Å; E200-W202 HydrophobicContact CG-CH2 4.16Å; E200-W202 HydrophobicContact CG-CZ2 4.06Å; E200-W202 HydrophobicContact CG-CZ3 4.29Å; E200-W202 VanDerWaalsContact O-CD1 3.23Å; E200-W202 PolarHBondContact O-N 2.85Å; E200-W202 VanDerWaalsContact O-N 3.13Å; E200-P225 VanDerWaalsContact OE1-CA 3.23Å; E200-P225 WeakPolarHBondContact OE1-CA 3.36Å; E200-P225 VanDerWaalsContact OE1-CB 3.29Å; E200-P225 WeakPolarHBondContact OE1-CB 3.29Å; E200-T226 PolarHBondContact OE1-N 2.87Å; E200-T226 PolarHBondContact OE2-N 2.84Å; E200-Q231 PolarHBondContact OE2-NE2 3.2Å; E200-Y242 WeakPolarHBondContact CG-OH 3.41Å; E200-Y242 VanDerWaalsContact OE1-CE1 3.31Å; E200-Y242 WeakPolarHBondContact OE1-CE1 3.24Å; E200-Y242 PolarHBondContact OE1-OH 3.34Å
201N85.1Confident91.2Very high135 Ų13557.3 Ų57.372%0.72227%0.274SS*.  trans57.915.7-173-62.1-87.8000114.8T197T197-N201 WeakPolarHBondContact O-CA 3.34Å
202W89.2Confident91.2Very high35 Ų3558.6 Ų58.613%0.13327%0.274CS..  trans-72.8142.8178.2-60.9-15.7000111.9T197 E200 I206 Y210 Y223T197-W202 VanDerWaalsContact CA-O 3.32Å; T197-W202 WeakPolarHBondContact CA-O 3.28Å; T197-W202 VanDerWaalsContact CB-O 3.28Å; T197-W202 WeakPolarHBondContact CB-O 3.32Å; T197-W202 WeakPolarHBondContact CG2-O 3.27Å; T197-W202 PolarHBondContact OG1-O 3.02Å; E200-W202 HydrophobicContact CB-CD2 3.6Å; E200-W202 HydrophobicContact CB-CE3 4.11Å; E200-W202 HydrophobicContact CB-CG 3.82Å; E200-W202 HydrophobicContact CB-CH2 4.5Å; E200-W202 HydrophobicContact CB-CZ2 4.04Å; E200-W202 HydrophobicContact CG-CD2 4.24Å; E200-W202 HydrophobicContact CG-CE3 4.33Å; E200-W202 HydrophobicContact CG-CH2 4.16Å; E200-W202 HydrophobicContact CG-CZ2 4.06Å; E200-W202 HydrophobicContact CG-CZ3 4.29Å; E200-W202 VanDerWaalsContact O-CD1 3.23Å; E200-W202 PolarHBondContact O-N 2.85Å; E200-W202 VanDerWaalsContact O-N 3.13Å; W202-I206 HydrophobicContact CB-CB 4.36Å; W202-I206 HydrophobicContact CB-CG2 4.08Å; W202-I206 HydrophobicContact CD2-CG2 4.16Å; W202-I206 HydrophobicContact CE3-CG2 4.17Å; W202-I206 HydrophobicContact CG-CG2 4.15Å; W202-Y210 HydrophobicContact CH2-CG 4.42Å; W202-Y210 AromaticContact CZ3-CD1 3.92Å; W202-Y210 HydrophobicContact CZ3-CD1 3.92Å; W202-Y210 HydrophobicContact CZ3-CD2 4.26Å; W202-Y210 AromaticContact CZ3-CG 3.74Å; W202-Y210 HydrophobicContact CZ3-CG 3.74Å; W202-Y223 HydrophobicContact CD2-CD1 4.37Å; W202-Y223 HydrophobicContact CZ2-CD1 4.29Å
203P92.8Very high91.3Very high71 Ų7158.8 Ų58.846%0.46128%0.275SS..  trans-61.8144.9171.428.3-35000110.4S205 I206 S207P203-S205 PolarHBondContact O-N 2.96Å; P203-I206 HydrophobicContact CG-CB 4.16Å; P203-I206 HydrophobicContact CG-CD1 3.65Å; P203-I206 HydrophobicContact CG-CG1 3.94Å; P203-I206 WeakPolarHBondContact O-CA 3.24Å; P203-I206 WeakPolarHBondContact O-CB 3.28Å; P203-I206 PolarHBondContact O-N 3.32Å; P203-S207 PolarHBondContact O-N 3.27Å; P203-S207 VanDerWaalsContact O-N 3.13Å
204Y94.4Very high91.3Very high101 Ų10158.8 Ų58.840%0.39628%0.275SS..Hα-helixtrans-56.1-28.2-170.2-178.5-97000114.7S193 W194 T197 L208S193-Y204 VanDerWaalsContact CB-CE2 3.45Å; W194-Y204 HydrophobicContact CB-CE2 4.44Å; T197-Y204 VanDerWaalsContact OG1-CA 3.31Å; T197-Y204 WeakPolarHBondContact OG1-CA 3.33Å; T197-Y204 PolarHBondContact OG1-N 3.25Å; Y204-L208 HydrophobicContact CE1-CD1 3.86Å; Y204-L208 VanDerWaalsContact O-CB 3.26Å; Y204-L208 WeakPolarHBondContact O-CB 3.45Å; Y204-L208 PolarHBondContact O-N 2.91Å
205S94Very high91.2Very high84 Ų8450.7 Ų50.759%0.58725%0.246SC*.Hα-helixtrans-60.8-44.9171.545.50000112.9P203 L208 Y209P203-S205 PolarHBondContact O-N 2.96Å; S205-L208 PolarHBondContact O-N 3.49Å; S205-Y209 WeakPolarHBondContact O-CB 3.44Å; S205-Y209 PolarHBondContact O-N 3.22Å
206I93.1Very high91.3Very high40 Ų4051.3 Ų51.321%0.20525%0.25CC..Hα-helixtrans-70.1-43.3177.2-69178.8000110.1W202 P203 L208 Y209 Y210 Y223W202-I206 HydrophobicContact CB-CB 4.36Å; W202-I206 HydrophobicContact CB-CG2 4.08Å; W202-I206 HydrophobicContact CD2-CG2 4.16Å; W202-I206 HydrophobicContact CE3-CG2 4.17Å; W202-I206 HydrophobicContact CG-CG2 4.15Å; P203-I206 HydrophobicContact CG-CB 4.16Å; P203-I206 HydrophobicContact CG-CD1 3.65Å; P203-I206 HydrophobicContact CG-CG1 3.94Å; P203-I206 WeakPolarHBondContact O-CA 3.24Å; P203-I206 WeakPolarHBondContact O-CB 3.28Å; P203-I206 PolarHBondContact O-N 3.32Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 2.81Å; I206-Y209 PolarHBondContact O-N 3.46Å; I206-Y210 WeakPolarHBondContact O-CB 3.42Å; I206-Y210 PolarHBondContact O-N 3.18Å; I206-Y223 HydrophobicContact CD1-CE1 4.04Å; I206-Y223 HydrophobicContact CG2-CD1 3.42Å; I206-Y223 VanDerWaalsContact CG2-CD1 3.42Å; I206-Y223 HydrophobicContact CG2-CD2 4.05Å; I206-Y223 HydrophobicContact CG2-CE1 3.43Å; I206-Y223 VanDerWaalsContact CG2-CE1 3.43Å; I206-Y223 HydrophobicContact CG2-CE2 4.05Å; I206-Y223 HydrophobicContact CG2-CG 3.76Å
207S94.1Very high91.4Very high0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-58.7-36.5174.9-59.70000113.2S193 T197 P203 S211S193-S207 WeakPolarHBondContact O-CB 3.46Å; T197-S207 PolarHBondContact N-OG 3.45Å; T197-S207 PolarHBondContact OG1-OG 3.47Å; P203-S207 PolarHBondContact O-N 3.27Å; P203-S207 VanDerWaalsContact O-N 3.13Å; S207-S211 VanDerWaalsContact O-CB 3.29Å; S207-S211 WeakPolarHBondContact O-CB 3.36Å; S207-S211 PolarHBondContact O-N 2.81Å; S207-S211 PolarHBondContact O-OG 2.71Å
208L94.7Very high91.5Very high62 Ų6255.1 Ų55.133%0.32527%0.269SS..Hα-helixtrans-76-41.3177.1-172.7152.5000112.5L190 S193 Y204 S205 I206 S211 Y212L190-L208 HydrophobicContact CD2-CD1 3.74Å; S193-L208 WeakPolarHBondContact OG-CA 3.49Å; Y204-L208 HydrophobicContact CE1-CD1 3.86Å; Y204-L208 VanDerWaalsContact O-CB 3.26Å; Y204-L208 WeakPolarHBondContact O-CB 3.45Å; Y204-L208 PolarHBondContact O-N 2.91Å; S205-L208 PolarHBondContact O-N 3.49Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 2.81Å; L208-S211 PolarHBondContact O-N 2.87Å; L208-Y212 WeakPolarHBondContact O-CB 3.2Å; L208-Y212 PolarHBondContact O-N 2.97Å
209Y94.5Very high91.8Very high84 Ų8447.4 Ų47.433%0.32924%0.241SC..Hα-helixtrans-57.5-51.1170.3168.3-95.9000111.1S205 I206 S211 Y212 V213 F220 D222 Y223S205-Y209 WeakPolarHBondContact O-CB 3.44Å; S205-Y209 PolarHBondContact O-N 3.22Å; I206-Y209 PolarHBondContact O-N 3.46Å; Y209-S211 PolarHBondContact O-N 2.95Å; Y209-Y212 PolarHBondContact O-N 3.37Å; Y209-V213 HydrophobicContact CD1-CG2 4.44Å; Y209-V213 HydrophobicContact CD2-CG2 4.02Å; Y209-V213 HydrophobicContact CE1-CG2 4.15Å; Y209-V213 HydrophobicContact CE2-CG2 3.72Å; Y209-V213 HydrophobicContact CG-CG2 4.39Å; Y209-V213 WeakPolarHBondContact O-CB 3.32Å; Y209-V213 WeakPolarHBondContact O-CG2 3.29Å; Y209-V213 PolarHBondContact O-N 3.29Å; Y209-F220 VanDerWaalsContact OH-CD2 3.24Å; Y209-F220 WeakPolarHBondContact OH-CD2 3.27Å; Y209-D222 WeakPolarHBondContact CE1-OD2 3.43Å; Y209-D222 VanDerWaalsContact CZ-OD2 3.3Å; Y209-D222 PolarHBondContact OH-OD2 3.22Å; Y209-Y223 HydrophobicContact CD1-CD2 4.09Å; Y209-Y223 AromaticContact CE1-CD2 3.91Å; Y209-Y223 HydrophobicContact CE1-CD2 3.91Å; Y209-Y223 HydrophobicContact CE1-CE2 4.32Å
210Y93.3Very high92Very high2 Ų250.4 Ų50.41%0.00825%0.254CS..Hα-helixtrans-56.5-50.1174.9169.1-102.4000111.7Y108 F196 W202 I206 Y212 V213 T214 Y223 P225 W249Y108-Y210 HydrophobicContact CE1-CE2 4.13Å; Y108-Y210 PolarHBondContact OH-OH 3.11Å; Y108-Y210 VanDerWaalsContact OH-OH 3.04Å; F196-Y210 HydrophobicContact CD1-CE1 4.3Å; F196-Y210 AromaticContact CD2-CD1 3.89Å; F196-Y210 HydrophobicContact CD2-CD1 3.89Å; F196-Y210 HydrophobicContact CD2-CE1 4.05Å; F196-Y210 AromaticContact CE1-CE1 3.93Å; F196-Y210 HydrophobicContact CE1-CE1 3.93Å; F196-Y210 AromaticContact CE2-CD1 3.91Å; F196-Y210 HydrophobicContact CE2-CD1 3.91Å; F196-Y210 AromaticContact CE2-CE1 3.64Å; F196-Y210 HydrophobicContact CE2-CE1 3.64Å; F196-Y210 HydrophobicContact CG-CD1 4.24Å; F196-Y210 HydrophobicContact CG-CE1 4.4Å; F196-Y210 HydrophobicContact CZ-CD1 4.29Å; F196-Y210 AromaticContact CZ-CE1 3.61Å; F196-Y210 HydrophobicContact CZ-CE1 3.61Å; W202-Y210 HydrophobicContact CH2-CG 4.42Å; W202-Y210 AromaticContact CZ3-CD1 3.92Å; W202-Y210 HydrophobicContact CZ3-CD1 3.92Å; W202-Y210 HydrophobicContact CZ3-CD2 4.26Å; W202-Y210 AromaticContact CZ3-CG 3.74Å; W202-Y210 HydrophobicContact CZ3-CG 3.74Å; I206-Y210 WeakPolarHBondContact O-CB 3.42Å; I206-Y210 PolarHBondContact O-N 3.18Å; Y210-Y212 PolarHBondContact O-N 3.29Å; Y210-V213 PolarHBondContact O-N 3.39Å; Y210-T214 WeakPolarHBondContact CD2-OG1 3.44Å; Y210-T214 WeakPolarHBondContact CE2-OG1 3.49Å; Y210-T214 VanDerWaalsContact CZ-OG1 3.24Å; Y210-T214 WeakPolarHBondContact O-CB 3.4Å; Y210-T214 PolarHBondContact O-N 3.1Å; Y210-T214 PolarHBondContact O-OG1 3.1Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.47Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.23Å; Y210-P225 HydrophobicContact CE1-CG 3.94Å; Y210-P225 HydrophobicContact CE2-CG 4.44Å; Y210-P225 VanDerWaalsContact OH-CD 3.23Å; Y210-P225 WeakPolarHBondContact OH-CD 3.48Å; Y210-P225 WeakPolarHBondContact OH-CG 3.21Å; Y210-W249 HydrophobicContact CE1-CH2 4.12Å; Y210-W249 HydrophobicContact CE1-CZ3 4.15Å
211S93.6Very high92.2Very high0 Ų050.7 Ų50.70%026%0.26CS..Hα-helixtrans-58.4-37.8179.7-63.50000112S193 F196 S207 L208 Y209 T215S193-S211 PolarHBondContact OG-OG 3.43Å; F196-S211 WeakPolarHBondContact CD2-OG 3.19Å; S207-S211 VanDerWaalsContact O-CB 3.29Å; S207-S211 WeakPolarHBondContact O-CB 3.36Å; S207-S211 PolarHBondContact O-N 2.81Å; S207-S211 PolarHBondContact O-OG 2.71Å; L208-S211 PolarHBondContact O-N 2.87Å; Y209-S211 PolarHBondContact O-N 2.95Å; S211-T215 WeakPolarHBondContact O-CB 3.46Å; S211-T215 PolarHBondContact O-N 3Å; S211-T215 PolarHBondContact O-OG1 3.33Å
212Y93.2Very high92.4Very high118 Ų11848 Ų4846%0.46325%0.246SC..Hα-helixtrans-71.7-55.3176.4176.4-96.5000112.7L189 L208 Y209 Y210 T214 T215 T216 I218L189-Y212 HydrophobicContact CD1-CD2 4.33Å; L208-Y212 WeakPolarHBondContact O-CB 3.2Å; L208-Y212 PolarHBondContact O-N 2.97Å; Y209-Y212 PolarHBondContact O-N 3.37Å; Y210-Y212 PolarHBondContact O-N 3.29Å; Y212-T214 PolarHBondContact O-N 3.47Å; Y212-T215 PolarHBondContact O-N 3.46Å; Y212-T216 HydrophobicContact CD2-CG2 3.92Å; Y212-T216 HydrophobicContact CE1-CG2 4.33Å; Y212-T216 HydrophobicContact CE2-CG2 3.6Å; Y212-T216 HydrophobicContact CG-CG2 4.42Å; Y212-T216 WeakPolarHBondContact O-CB 3.48Å; Y212-T216 WeakPolarHBondContact O-CG2 3.37Å; Y212-T216 PolarHBondContact O-N 2.91Å; Y212-T216 PolarHBondContact O-OG1 2.74Å; Y212-I218 HydrophobicContact CE1-CD1 4.24Å
213V93.6Very high92.4Very high5 Ų550.3 Ų50.33%0.0326%0.255CS..Hα-helixtrans-56.8-37.1179.91670000111.5Y209 Y210 I218 G219 F220Y209-V213 HydrophobicContact CD1-CG2 4.44Å; Y209-V213 HydrophobicContact CD2-CG2 4.02Å; Y209-V213 HydrophobicContact CE1-CG2 4.15Å; Y209-V213 HydrophobicContact CE2-CG2 3.72Å; Y209-V213 HydrophobicContact CG-CG2 4.39Å; Y209-V213 WeakPolarHBondContact O-CB 3.32Å; Y209-V213 WeakPolarHBondContact O-CG2 3.29Å; Y209-V213 PolarHBondContact O-N 3.29Å; Y210-V213 PolarHBondContact O-N 3.39Å; V213-I218 HydrophobicContact CG1-CB 4.13Å; V213-I218 HydrophobicContact CG1-CG2 4.3Å; V213-I218 PolarHBondContact O-N 2.98Å; V213-G219 PolarHBondContact O-N 2.68Å; V213-G219 VanDerWaalsContact O-N 3.16Å; V213-F220 HydrophobicContact CG1-CB 4.27Å; V213-F220 HydrophobicContact CG1-CD2 3.73Å; V213-F220 HydrophobicContact CG1-CG 4.25Å; V213-F220 HydrophobicContact CG2-CD2 3.89Å; V213-F220 HydrophobicContact CG2-CE2 4.14Å
214T92.5Very high92.1Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-71.1-52.6175.4-68.90000112.2Y108 Y210 Y212 T216 T217 W249 F250Y108-T214 WeakPolarHBondContact OH-CB 3.15Å; Y108-T214 WeakPolarHBondContact OH-CG2 2.97Å; Y108-T214 PolarHBondContact OH-OG1 2.92Å; Y210-T214 WeakPolarHBondContact CD2-OG1 3.44Å; Y210-T214 WeakPolarHBondContact CE2-OG1 3.49Å; Y210-T214 VanDerWaalsContact CZ-OG1 3.24Å; Y210-T214 WeakPolarHBondContact O-CB 3.4Å; Y210-T214 PolarHBondContact O-N 3.1Å; Y210-T214 PolarHBondContact O-OG1 3.1Å; Y212-T214 PolarHBondContact O-N 3.47Å; T214-T216 VanDerWaalsContact C-N 3.31Å; T214-T216 PolarHBondContact O-N 2.99Å; T214-T217 PolarHBondContact O-N 2.7Å; T214-W249 HydrophobicContact CG2-CH2 3.51Å; T214-W249 HydrophobicContact CG2-CZ3 3.77Å; T214-F250 HydrophobicContact CG2-CD2 3.4Å; T214-F250 HydrophobicContact CG2-CE2 3.65Å
215T91.3Very high91.5Very high14 Ų1442.9 Ų42.99%0.08622%0.219CC..Hα-helixtrans-62.8-36.6-179.6-69.50000112.6L189 S211 Y212 T217 S253 L257L189-T215 HydrophobicContact CD2-CG2 4.21Å; S211-T215 WeakPolarHBondContact O-CB 3.46Å; S211-T215 PolarHBondContact O-N 3Å; S211-T215 PolarHBondContact O-OG1 3.33Å; Y212-T215 PolarHBondContact O-N 3.46Å; T215-T217 PolarHBondContact O-N 2.81Å; T215-S253 WeakPolarHBondContact CB-OG 3.33Å; T215-S253 WeakPolarHBondContact CG2-OG 3.42Å; T215-S253 PolarHBondContact OG1-OG 3.39Å; T215-L257 WeakPolarHBondContact O-CD1 3.36Å
216T91.5Very high90.2Very high36 Ų3642.7 Ų42.722%0.22122%0.215CC..THydrogen-bonded Turntrans-846.2-179.355.70000114.3Y212 T214 I218Y212-T216 HydrophobicContact CD2-CG2 3.92Å; Y212-T216 HydrophobicContact CE1-CG2 4.33Å; Y212-T216 HydrophobicContact CE2-CG2 3.6Å; Y212-T216 HydrophobicContact CG-CG2 4.42Å; Y212-T216 WeakPolarHBondContact O-CB 3.48Å; Y212-T216 WeakPolarHBondContact O-CG2 3.37Å; Y212-T216 PolarHBondContact O-N 2.91Å; Y212-T216 PolarHBondContact O-OG1 2.74Å; T214-T216 VanDerWaalsContact C-N 3.31Å; T214-T216 PolarHBondContact O-N 2.99Å; T216-I218 PolarHBondContact O-N 1.99Å; T216-I218 VanDerWaalsContact OG1-CD1 3.31Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.43Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.5Å
217T92.8Very high88.8Confident47 Ų4741.7 Ų41.729%0.28821%0.209SC..THydrogen-bonded Turntrans52.437.7-178.269.80000114V106 T214 T215 L254V106-T217 HydrophobicContact CG2-CG2 3.6Å; T214-T217 PolarHBondContact O-N 2.7Å; T215-T217 PolarHBondContact O-N 2.81Å; T217-L254 HydrophobicContact CG2-CD1 3.48Å; T217-L254 VanDerWaalsContact CG2-CD1 3.48Å; T217-L254 HydrophobicContact CG2-CD2 3.79Å; T217-L254 HydrophobicContact CG2-CG 4.3Å
218I93.6Very high86.9Confident78 Ų7843 Ų4340%0.422%0.222SC..  trans-85.9-42.3173-63.5173.4000110.1Y212 V213 T216 F220Y212-I218 HydrophobicContact CE1-CD1 4.24Å; V213-I218 HydrophobicContact CG1-CB 4.13Å; V213-I218 HydrophobicContact CG1-CG2 4.3Å; V213-I218 PolarHBondContact O-N 2.98Å; T216-I218 PolarHBondContact O-N 1.99Å; T216-I218 VanDerWaalsContact OG1-CD1 3.31Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.43Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.5Å; I218-F220 HydrophobicContact CG2-CD1 4.03Å; I218-F220 HydrophobicContact CG2-CD2 3.87Å; I218-F220 HydrophobicContact CG2-CE1 3.68Å; I218-F220 HydrophobicContact CG2-CE2 3.52Å; I218-F220 HydrophobicContact CG2-CG 4.12Å; I218-F220 HydrophobicContact CG2-CZ 3.42Å; I218-F220 VanDerWaalsContact CG2-CZ 3.42Å; I218-F220 PolarHBondContact O-N 2.86Å
219G91.9Very high84.7Confident6 Ų641.9 Ų41.96%0.06222%0.222CC..  trans60.842.3164.300000116.7Y108 V213 G221Y108-G219 WeakPolarHBondContact CA-O 3.48Å; V213-G219 PolarHBondContact O-N 2.68Å; V213-G219 VanDerWaalsContact O-N 3.16Å; G219-G221 PolarHBondContact O-N 3.06Å
220F89.8Confident82.6Confident128 Ų12845.6 Ų45.656%0.56125%0.248SC*.  trans-56.9-31.5-178.5-67-55000114.9Y209 V213 I218 D222Y209-F220 VanDerWaalsContact OH-CD2 3.24Å; Y209-F220 WeakPolarHBondContact OH-CD2 3.27Å; V213-F220 HydrophobicContact CG1-CB 4.27Å; V213-F220 HydrophobicContact CG1-CD2 3.73Å; V213-F220 HydrophobicContact CG1-CG 4.25Å; V213-F220 HydrophobicContact CG2-CD2 3.89Å; V213-F220 HydrophobicContact CG2-CE2 4.14Å; I218-F220 HydrophobicContact CG2-CD1 4.03Å; I218-F220 HydrophobicContact CG2-CD2 3.87Å; I218-F220 HydrophobicContact CG2-CE1 3.68Å; I218-F220 HydrophobicContact CG2-CE2 3.52Å; I218-F220 HydrophobicContact CG2-CG 4.12Å; I218-F220 HydrophobicContact CG2-CZ 3.42Å; I218-F220 VanDerWaalsContact CG2-CZ 3.42Å; I218-F220 PolarHBondContact O-N 2.86Å; F220-D222 PolarHBondContact O-N 3.21Å
221G88.1Confident80.8Confident18 Ų1847.4 Ų47.419%0.18626%0.256CS..  trans76.55.8175.700000115.5Y108 G219 Y223Y108-G221 WeakPolarHBondContact O-CA 3.36Å; G219-G221 PolarHBondContact O-N 3.06Å; G221-Y223 VanDerWaalsContact C-N 3.33Å
222D88.5Confident78.8Confident80 Ų8052.3 Ų52.343%0.42829%0.288SS..SBendtrans-59.9-41.1166.550.6-2.9000112.2Y209 F220Y209-D222 WeakPolarHBondContact CE1-OD2 3.43Å; Y209-D222 VanDerWaalsContact CZ-OD2 3.3Å; Y209-D222 PolarHBondContact OH-OD2 3.22Å; F220-D222 PolarHBondContact O-N 3.21Å
223Y88.8Confident77.1Confident82 Ų8253.5 Ų53.532%0.32230%0.295SS..SBendtrans-120125.9169.2-61.7-84.9000110W202 I206 Y209 Y210 G221W202-Y223 HydrophobicContact CD2-CD1 4.37Å; W202-Y223 HydrophobicContact CZ2-CD1 4.29Å; I206-Y223 HydrophobicContact CD1-CE1 4.04Å; I206-Y223 HydrophobicContact CG2-CD1 3.42Å; I206-Y223 VanDerWaalsContact CG2-CD1 3.42Å; I206-Y223 HydrophobicContact CG2-CD2 4.05Å; I206-Y223 HydrophobicContact CG2-CE1 3.43Å; I206-Y223 VanDerWaalsContact CG2-CE1 3.43Å; I206-Y223 HydrophobicContact CG2-CE2 4.05Å; I206-Y223 HydrophobicContact CG2-CG 3.76Å; Y209-Y223 HydrophobicContact CD1-CD2 4.09Å; Y209-Y223 AromaticContact CE1-CD2 3.91Å; Y209-Y223 HydrophobicContact CE1-CD2 3.91Å; Y209-Y223 HydrophobicContact CE1-CE2 4.32Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.47Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.23Å; G221-Y223 VanDerWaalsContact C-N 3.33Å
224V87Confident75.2Confident13 Ų1360.7 Ų60.78%0.07933%0.329CS..  trans-140.7135.7172.4-176.30000107.5F97 Y108 N110 T226F97-V224 HydrophobicContact CE1-CG1 3.96Å; F97-V224 HydrophobicContact CZ-CG1 4.43Å; Y108-V224 HydrophobicContact CD1-CG2 3.95Å; Y108-V224 HydrophobicContact CD2-CG2 4.34Å; Y108-V224 HydrophobicContact CE1-CG2 4.42Å; Y108-V224 HydrophobicContact CG-CG2 3.88Å; N110-V224 HydrophobicContact CB-CG2 4.43Å; V224-T226 PolarHBondContact O-N 3.36Å; V224-T226 PolarHBondContact O-OG1 3.37Å
225P81.5Confident73.4Confident4 Ų467.1 Ų67.13%0.02636%0.357CS..  trans-46.3115.3175.8-36.140000111.4F196 E200 Y210 F227 V246F196-P225 HydrophobicContact CD1-CG 4.41Å; F196-P225 HydrophobicContact CE1-CG 3.94Å; E200-P225 VanDerWaalsContact OE1-CA 3.23Å; E200-P225 WeakPolarHBondContact OE1-CA 3.36Å; E200-P225 VanDerWaalsContact OE1-CB 3.29Å; E200-P225 WeakPolarHBondContact OE1-CB 3.29Å; Y210-P225 HydrophobicContact CE1-CG 3.94Å; Y210-P225 HydrophobicContact CE2-CG 4.44Å; Y210-P225 VanDerWaalsContact OH-CD 3.23Å; Y210-P225 WeakPolarHBondContact OH-CD 3.48Å; Y210-P225 WeakPolarHBondContact OH-CG 3.21Å; P225-F227 HydrophobicContact CB-CE1 4.32Å; P225-F227 HydrophobicContact CB-CE2 3.66Å; P225-F227 HydrophobicContact CB-CZ 3.55Å; P225-F227 WeakPolarHBondContact O-CD2 3.5Å; P225-F227 WeakPolarHBondContact O-CE2 3.36Å; P225-F227 PolarHBondContact O-N 2.78Å; P225-V246 HydrophobicContact CG-CG1 4.45Å
226T66Low72.2Confident80 Ų8068.4 Ų68.449%0.49137%0.373SS..  trans-9982.6-163-660000109.1E200 V224 G228 Q231E200-T226 PolarHBondContact OE1-N 2.87Å; E200-T226 PolarHBondContact OE2-N 2.84Å; V224-T226 PolarHBondContact O-N 3.36Å; V224-T226 PolarHBondContact O-OG1 3.37Å; T226-G228 PolarHBondContact O-N 3.4Å; T226-Q231 PolarHBondContact O-NE2 2.96Å; T226-Q231 VanDerWaalsContact O-NE2 3.15Å; T226-Q231 PolarHBondContact O-OE1 2.89Å
227F64.4Low71.3Confident19 Ų1969.3 Ų69.38%0.08339%0.39CS..  trans-67.930.8175.6-48-78.5000113.8Y93 H94 P225 F239 Y242 Q243Y93-F227 HydrophobicContact CD1-CD2 4.22Å; Y93-F227 HydrophobicContact CD1-CE2 4.49Å; Y93-F227 HydrophobicContact CE1-CD1 4.44Å; Y93-F227 AromaticContact CE1-CD2 3.55Å; Y93-F227 HydrophobicContact CE1-CD2 3.55Å; Y93-F227 HydrophobicContact CE1-CE1 4.33Å; Y93-F227 AromaticContact CE1-CE2 3.43Å; Y93-F227 HydrophobicContact CE1-CE2 3.43Å; Y93-F227 VanDerWaalsContact CE1-CE2 3.43Å; Y93-F227 HydrophobicContact CE1-CG 4.08Å; Y93-F227 AromaticContact CE1-CZ 3.85Å; Y93-F227 HydrophobicContact CE1-CZ 3.85Å; Y93-F227 AromaticContact CZ-CE2 3.96Å; Y93-F227 AromaticContact CZ-CZ 3.93Å; Y93-F227 WeakPolarHBondContact OH-CZ 3.41Å; H94-F227 AromaticContact CE1-CD2 3.97Å; P225-F227 HydrophobicContact CB-CE1 4.32Å; P225-F227 HydrophobicContact CB-CE2 3.66Å; P225-F227 HydrophobicContact CB-CZ 3.55Å; P225-F227 WeakPolarHBondContact O-CD2 3.5Å; P225-F227 WeakPolarHBondContact O-CE2 3.36Å; P225-F227 PolarHBondContact O-N 2.78Å; F227-F239 HydrophobicContact CB-CE1 4.39Å; F227-F239 HydrophobicContact CB-CE2 4.49Å; F227-F239 HydrophobicContact CB-CZ 3.69Å; F227-F239 HydrophobicContact CD1-CE1 4.37Å; F227-F239 HydrophobicContact CD1-CE2 4.03Å; F227-F239 AromaticContact CD1-CZ 3.78Å; F227-F239 HydrophobicContact CD1-CZ 3.78Å; F227-F239 HydrophobicContact CG-CZ 4.24Å; F227-Y242 HydrophobicContact CD1-CE1 4.36Å; F227-Y242 AromaticContact CE1-CD1 3.84Å; F227-Y242 HydrophobicContact CE1-CD1 3.84Å; F227-Y242 AromaticContact CE1-CE1 3.62Å; F227-Y242 HydrophobicContact CE1-CE1 3.62Å; F227-Y242 HydrophobicContact CZ-CE1 4.32Å; F227-Q243 HydrophobicContact CD1-CG 3.53Å; F227-Q243 HydrophobicContact CE1-CB 4.4Å; F227-Q243 HydrophobicContact CE1-CG 3.39Å; F227-Q243 HydrophobicContact CG-CG 4.4Å; F227-Q243 HydrophobicContact CZ-CG 4.17Å
228G54Low70.5Confident27 Ų2775.1 Ų75.128%0.27841%0.406SS..  trans-78.2167.5-174.300000113.8T226 N230 Q231T226-G228 PolarHBondContact O-N 3.4Å; G228-N230 VanDerWaalsContact C-N 3.26Å; G228-N230 PolarHBondContact O-N 3.28Å; G228-Q231 PolarHBondContact O-N 3.15Å
229A49.8Very low69.7Low39 Ų3973.7 Ų73.732%0.32240%0.397SS..THydrogen-bonded Turntrans-64.1-27.5-173.600000114.4P87 Q231P87-A229 HydrophobicContact CB-CB 4.18Å; P87-A229 HydrophobicContact CG-CB 3.85Å; A229-Q231 VanDerWaalsContact C-N 3.33Å; A229-Q231 PolarHBondContact O-N 3.06Å
230N49.2Very low69.2Low162 Ų16276.8 Ų76.887%0.86642%0.415SS*.THydrogen-bonded Turntrans-79.2-10.7-173.9-56.231.4000113.7G228G228-N230 VanDerWaalsContact C-N 3.26Å; G228-N230 PolarHBondContact O-N 3.28Å
231Q56.8Low69Low40 Ų4074.7 Ų74.719%0.18741%0.413CS..SBendtrans-73.1127.4167.2-76.7-174.1-3.500108.7E200 T226 G228 A229 K233E200-Q231 PolarHBondContact OE2-NE2 3.2Å; T226-Q231 PolarHBondContact O-NE2 2.96Å; T226-Q231 VanDerWaalsContact O-NE2 3.15Å; T226-Q231 PolarHBondContact O-OE1 2.89Å; G228-Q231 PolarHBondContact O-N 3.15Å; A229-Q231 VanDerWaalsContact C-N 3.33Å; A229-Q231 PolarHBondContact O-N 3.06Å; Q231-K233 PolarHBondContact O-N 3.22Å; Q231-K233 VanDerWaalsContact O-N 3.1Å
232P51.5Low68.9Low102 Ų10274.1 Ų74.166%0.66241%0.405SS*.  trans-67114-173.928.1-35.5000110.3E234P232-E234 HydrophobicContact CB-CG 4.01Å; P232-E234 PolarHBondContact O-N 3.46Å
233K56.2Low68.7Low144 Ų14471.7 Ų71.763%0.62639%0.391SS*.G310 helixtrans-75.621.2-172.3-61.6175.3-173.7163.10114.3Q231 F235 G236Q231-K233 PolarHBondContact O-N 3.22Å; Q231-K233 VanDerWaalsContact O-N 3.1Å; K233-F235 PolarHBondContact O-N 2.96Å; K233-G236 PolarHBondContact O-N 3.02Å
234E54.3Low68.7Low155 Ų15572.6 Ų72.672%0.72440%0.4SS*.G310 helixtrans-42-36.7176.9-59.9-75.8121.600112.8P232P232-E234 HydrophobicContact CB-CG 4.01Å; P232-E234 PolarHBondContact O-N 3.46Å
235F53.7Low68.9Low135 Ų13575.1 Ų75.159%0.59241%0.41SS*.G310 helixtrans-119.549.5-173.4-63.8-67.6000112.8K233 G237 W238 F239K233-F235 PolarHBondContact O-N 2.96Å; F235-G237 PolarHBondContact O-N 3.16Å; F235-W238 HydrophobicContact CB-CB 4.04Å; F235-W238 HydrophobicContact CB-CG 4.33Å; F235-W238 AromaticContact CD1-CD1 3.92Å; F235-W238 WeakPolarHBondContact O-CA 3.47Å; F235-W238 PolarHBondContact O-N 3.3Å; F235-F239 PolarHBondContact O-N 3.41Å
236G66.5Low69.4Low41 Ų4175 Ų7542%0.42341%0.409SS..Hα-helixtrans-47.4-35.7-175.600000116K233 V240K233-G236 PolarHBondContact O-N 3.02Å; G236-V240 PolarHBondContact O-N 3.34Å
237G72.4Confident70.5Confident56 Ų5672.3 Ų72.358%0.57739%0.392SS*.Hα-helixtrans-69.5-43173.400000114F235 F239 V240 V241F235-G237 PolarHBondContact O-N 3.16Å; G237-F239 VanDerWaalsContact C-N 3.31Å; G237-F239 PolarHBondContact O-N 2.95Å; G237-V240 PolarHBondContact O-N 3.25Å; G237-V241 PolarHBondContact O-N 3.21Å
238W76Confident71.9Confident169 Ų16974.6 Ų74.664%0.6441%0.407SS*.Hα-helixtrans-69.4-29.9177.4-63.698.5000112.3F235 V240 V241 Y242F235-W238 HydrophobicContact CB-CB 4.04Å; F235-W238 HydrophobicContact CB-CG 4.33Å; F235-W238 AromaticContact CD1-CD1 3.92Å; F235-W238 WeakPolarHBondContact O-CA 3.47Å; F235-W238 PolarHBondContact O-N 3.3Å; W238-V240 VanDerWaalsContact C-N 3.35Å; W238-V241 CarbonylContact O-C 3.59Å; W238-V241 WeakPolarHBondContact O-CB 3.38Å; W238-V241 PolarHBondContact O-N 3.19Å; W238-Y242 WeakPolarHBondContact O-CB 3.48Å; W238-Y242 PolarHBondContact O-N 3.1Å
239F77.1Confident73.7Confident47 Ų4774 Ų7421%0.20640%0.396CS..Hα-helixtrans-62.3-39.4172.6-174.4-103000112.2F227 F235 G237 Y242 Q243F227-F239 HydrophobicContact CB-CE1 4.39Å; F227-F239 HydrophobicContact CB-CE2 4.49Å; F227-F239 HydrophobicContact CB-CZ 3.69Å; F227-F239 HydrophobicContact CD1-CE1 4.37Å; F227-F239 HydrophobicContact CD1-CE2 4.03Å; F227-F239 AromaticContact CD1-CZ 3.78Å; F227-F239 HydrophobicContact CD1-CZ 3.78Å; F227-F239 HydrophobicContact CG-CZ 4.24Å; F235-F239 PolarHBondContact O-N 3.41Å; G237-F239 VanDerWaalsContact C-N 3.31Å; G237-F239 PolarHBondContact O-N 2.95Å; F239-Y242 PolarHBondContact O-N 3.06Å; F239-Q243 WeakPolarHBondContact O-CG 3.48Å; F239-Q243 PolarHBondContact O-N 3.3Å
240V81.1Confident75.7Confident71 Ų7172.4 Ų72.443%0.4338%0.382SS..Hα-helixtrans-68-38.4172.4176.70000111.4G236 G237 W238 Y242 Q243 I244G236-V240 PolarHBondContact O-N 3.34Å; G237-V240 PolarHBondContact O-N 3.25Å; W238-V240 VanDerWaalsContact C-N 3.35Å; V240-Y242 VanDerWaalsContact C-N 3.32Å; V240-Y242 PolarHBondContact O-N 3.46Å; V240-Q243 PolarHBondContact O-N 3.21Å; V240-I244 HydrophobicContact CG1-CD1 4Å; V240-I244 WeakPolarHBondContact O-CG1 3.19Å; V240-I244 PolarHBondContact O-N 3.45Å
241V85.3Confident77.8Confident85 Ų8566.5 Ų66.552%0.51535%0.35SS..Hα-helixtrans-62.1-40.5172.8175.10000111.1G237 W238 I244 F245G237-V241 PolarHBondContact O-N 3.21Å; W238-V241 CarbonylContact O-C 3.59Å; W238-V241 WeakPolarHBondContact O-CB 3.38Å; W238-V241 PolarHBondContact O-N 3.19Å; V241-I244 PolarHBondContact O-N 2.99Å; V241-F245 VanDerWaalsContact O-CB 3.28Å; V241-F245 WeakPolarHBondContact O-CB 3.38Å; V241-F245 PolarHBondContact O-N 3.02Å
242Y86.7Confident79.5Confident5 Ų569 Ų692%0.0236%0.36CS..Hα-helixtrans-64.7-46.7174.9171.5-115.3000112.1V195 F196 F199 E200 F227 W238 F239 V240 I244 F245 V246V195-Y242 HydrophobicContact CG1-CD2 4.46Å; V195-Y242 HydrophobicContact CG1-CE2 4.4Å; F196-Y242 HydrophobicContact CD1-CE2 4.17Å; F196-Y242 VanDerWaalsContact CD1-OH 3.25Å; F196-Y242 WeakPolarHBondContact CD1-OH 3.12Å; F196-Y242 HydrophobicContact CE1-CE2 4.02Å; F196-Y242 WeakPolarHBondContact CE1-OH 3.24Å; F199-Y242 HydrophobicContact CB-CD1 4.41Å; F199-Y242 HydrophobicContact CB-CD2 4.15Å; F199-Y242 HydrophobicContact CB-CE1 4.07Å; F199-Y242 HydrophobicContact CB-CE2 3.81Å; F199-Y242 HydrophobicContact CB-CG 4.44Å; F199-Y242 HydrophobicContact CD1-CD1 4.19Å; F199-Y242 HydrophobicContact CD1-CD2 4.16Å; F199-Y242 AromaticContact CD1-CG 3.92Å; F199-Y242 HydrophobicContact CD1-CG 3.92Å; F199-Y242 AromaticContact CD2-CD2 3.71Å; F199-Y242 HydrophobicContact CD2-CD2 3.71Å; F199-Y242 AromaticContact CD2-CE2 3.99Å; F199-Y242 HydrophobicContact CD2-CE2 3.99Å; F199-Y242 HydrophobicContact CD2-CG 4.3Å; F199-Y242 HydrophobicContact CE1-CG 4.23Å; F199-Y242 HydrophobicContact CE2-CD2 4.13Å; F199-Y242 HydrophobicContact CG-CD1 4.32Å; F199-Y242 AromaticContact CG-CD2 3.73Å; F199-Y242 HydrophobicContact CG-CD2 3.73Å; F199-Y242 HydrophobicContact CG-CE1 4.45Å; F199-Y242 AromaticContact CG-CE2 3.91Å; F199-Y242 HydrophobicContact CG-CE2 3.91Å; F199-Y242 AromaticContact CG-CG 3.96Å; F199-Y242 HydrophobicContact CG-CG 3.96Å; E200-Y242 WeakPolarHBondContact CG-OH 3.41Å; E200-Y242 VanDerWaalsContact OE1-CE1 3.31Å; E200-Y242 WeakPolarHBondContact OE1-CE1 3.24Å; E200-Y242 PolarHBondContact OE1-OH 3.34Å; F227-Y242 HydrophobicContact CD1-CE1 4.36Å; F227-Y242 AromaticContact CE1-CD1 3.84Å; F227-Y242 HydrophobicContact CE1-CD1 3.84Å; F227-Y242 AromaticContact CE1-CE1 3.62Å; F227-Y242 HydrophobicContact CE1-CE1 3.62Å; F227-Y242 HydrophobicContact CZ-CE1 4.32Å; W238-Y242 WeakPolarHBondContact O-CB 3.48Å; W238-Y242 PolarHBondContact O-N 3.1Å; F239-Y242 PolarHBondContact O-N 3.06Å; V240-Y242 VanDerWaalsContact C-N 3.32Å; V240-Y242 PolarHBondContact O-N 3.46Å; Y242-I244 VanDerWaalsContact C-N 3.34Å; Y242-I244 PolarHBondContact O-N 3.44Å; Y242-F245 HydrophobicContact CD2-CD1 4.38Å; Y242-F245 WeakPolarHBondContact O-CB 3.37Å; Y242-F245 PolarHBondContact O-N 3.36Å; Y242-F245 VanDerWaalsContact O-N 3.1Å; Y242-V246 HydrophobicContact CD2-CG2 4.14Å; Y242-V246 HydrophobicContact CE1-CG2 4.43Å; Y242-V246 HydrophobicContact CE2-CG2 3.69Å; Y242-V246 WeakPolarHBondContact O-CG2 3.49Å; Y242-V246 PolarHBondContact O-N 3.4Å
243Q85.3Confident81.4Confident30 Ų3064.1 Ų64.114%0.1433%0.329CS..Hα-helixtrans-53.7-47.2172.8-83.4-177.6-12.200112.6Y93 F227 F239 V240 V246 I247Y93-Q243 HydrophobicContact CD2-CB 4.18Å; Y93-Q243 HydrophobicContact CD2-CG 4.15Å; Y93-Q243 HydrophobicContact CE1-CG 4.11Å; Y93-Q243 HydrophobicContact CE2-CB 3.53Å; Y93-Q243 HydrophobicContact CE2-CG 3.71Å; Y93-Q243 PolarHBondContact OH-O 2.82Å; F227-Q243 HydrophobicContact CD1-CG 3.53Å; F227-Q243 HydrophobicContact CE1-CB 4.4Å; F227-Q243 HydrophobicContact CE1-CG 3.39Å; F227-Q243 HydrophobicContact CG-CG 4.4Å; F227-Q243 HydrophobicContact CZ-CG 4.17Å; F239-Q243 WeakPolarHBondContact O-CG 3.48Å; F239-Q243 PolarHBondContact O-N 3.3Å; V240-Q243 PolarHBondContact O-N 3.21Å; Q243-V246 PolarHBondContact O-N 3.15Å; Q243-I247 PolarHBondContact O-N 3.01Å
244I88.4Confident83.1Confident100 Ų10057.8 Ų57.851%0.51330%0.302SS..Hα-helixtrans-65.9-42.2176-66.2166.3000110.7V240 V241 Y242 V246 I247 V248V240-I244 HydrophobicContact CG1-CD1 4Å; V240-I244 WeakPolarHBondContact O-CG1 3.19Å; V240-I244 PolarHBondContact O-N 3.45Å; V241-I244 PolarHBondContact O-N 2.99Å; Y242-I244 VanDerWaalsContact C-N 3.34Å; Y242-I244 PolarHBondContact O-N 3.44Å; I244-V246 PolarHBondContact O-N 2.87Å; I244-I247 PolarHBondContact O-N 2.97Å; I244-V248 HydrophobicContact CG2-CG2 4.11Å; I244-V248 WeakPolarHBondContact O-CB 3.36Å; I244-V248 VanDerWaalsContact O-CG2 3.32Å; I244-V248 WeakPolarHBondContact O-CG2 3.18Å; I244-V248 PolarHBondContact O-N 3.03Å
245F91.1Very high84.9Confident67 Ų6750.4 Ų50.429%0.29427%0.268SS..Hα-helixtrans-58.2-44.9177.1167.5-95.2000112V195 V241 Y242 I247 V248 W249V195-F245 HydrophobicContact CB-CE1 4.23Å; V195-F245 HydrophobicContact CG1-CD1 4.28Å; V195-F245 HydrophobicContact CG1-CE1 3.79Å; V195-F245 HydrophobicContact CG1-CZ 4.38Å; V195-F245 HydrophobicContact CG2-CE1 4.43Å; V195-F245 HydrophobicContact CG2-CZ 4.25Å; V241-F245 VanDerWaalsContact O-CB 3.28Å; V241-F245 WeakPolarHBondContact O-CB 3.38Å; V241-F245 PolarHBondContact O-N 3.02Å; Y242-F245 HydrophobicContact CD2-CD1 4.38Å; Y242-F245 WeakPolarHBondContact O-CB 3.37Å; Y242-F245 PolarHBondContact O-N 3.36Å; Y242-F245 VanDerWaalsContact O-N 3.1Å; F245-I247 PolarHBondContact O-N 3.45Å; F245-V248 PolarHBondContact O-N 3.39Å; F245-W249 HydrophobicContact CE1-CB 4.45Å; F245-W249 HydrophobicContact CE2-CB 4.41Å; F245-W249 HydrophobicContact CZ-CB 4.25Å; F245-W249 VanDerWaalsContact O-CB 3.24Å; F245-W249 WeakPolarHBondContact O-CB 3.42Å; F245-W249 PolarHBondContact O-N 2.91Å
246V91Very high86.6Confident1 Ų145 Ų451%0.00624%0.244CC..Hα-helixtrans-59.4-46.8178.7173.50000111F97 F196 P225 Y242 Q243 I244 F250F97-V246 HydrophobicContact CE2-CG1 4.24Å; F196-V246 HydrophobicContact CE1-CG2 3.77Å; F196-V246 HydrophobicContact CZ-CG2 4.16Å; P225-V246 HydrophobicContact CG-CG1 4.45Å; Y242-V246 HydrophobicContact CD2-CG2 4.14Å; Y242-V246 HydrophobicContact CE1-CG2 4.43Å; Y242-V246 HydrophobicContact CE2-CG2 3.69Å; Y242-V246 WeakPolarHBondContact O-CG2 3.49Å; Y242-V246 PolarHBondContact O-N 3.4Å; Q243-V246 PolarHBondContact O-N 3.15Å; I244-V246 PolarHBondContact O-N 2.87Å; V246-F250 WeakPolarHBondContact O-CB 3.48Å; V246-F250 PolarHBondContact O-N 3.45Å
247I90.7Very high87.8Confident24 Ų2444.7 Ų44.712%0.12323%0.232CC..Hα-helixtrans-63.2-46.6177.6-65161.9000110.9Y93 F96 F97 F100 Q243 I244 F245 F250 I251Y93-I247 HydrophobicContact CE2-CD1 3.64Å; F96-I247 HydrophobicContact CD1-CD1 4.03Å; F96-I247 HydrophobicContact CE1-CD1 3.88Å; F96-I247 HydrophobicContact CE1-CG2 4.37Å; F97-I247 HydrophobicContact CD2-CG1 4.49Å; F100-I247 HydrophobicContact CE1-CG2 4.27Å; Q243-I247 PolarHBondContact O-N 3.01Å; I244-I247 PolarHBondContact O-N 2.97Å; F245-I247 PolarHBondContact O-N 3.45Å; I247-F250 PolarHBondContact O-N 2.83Å; I247-I251 HydrophobicContact CG2-CD1 3.91Å; I247-I251 VanDerWaalsContact O-CG1 3.29Å; I247-I251 WeakPolarHBondContact O-CG1 3.03Å; I247-I251 PolarHBondContact O-N 3.14Å
248V92.2Very high88.6Confident66 Ų6643.8 Ų43.840%0.422%0.215SC..Hα-helixtrans-67.5-47-178171.40000111.9I244 F245 F250 I251 F252I244-V248 HydrophobicContact CG2-CG2 4.11Å; I244-V248 WeakPolarHBondContact O-CB 3.36Å; I244-V248 VanDerWaalsContact O-CG2 3.32Å; I244-V248 WeakPolarHBondContact O-CG2 3.18Å; I244-V248 PolarHBondContact O-N 3.03Å; F245-V248 PolarHBondContact O-N 3.39Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 2.91Å; V248-I251 PolarHBondContact O-N 3.41Å; V248-F252 HydrophobicContact CG1-CD2 4.05Å; V248-F252 HydrophobicContact CG1-CE2 3.98Å; V248-F252 VanDerWaalsContact O-CD2 3.23Å; V248-F252 WeakPolarHBondContact O-CD2 3.24Å; V248-F252 PolarHBondContact O-N 3.42Å
249W93.5Very high89.3Confident15 Ų1535.9 Ų35.96%0.05719%0.185CC..Hα-helixtrans-53.3-49.5173.5156.867000110.2F188 P192 F196 Y210 T214 F245 I251 F252 S253F188-W249 PolarHBondContact O-NE1 2.7Å; P192-W249 HydrophobicContact CB-CD2 4.24Å; P192-W249 HydrophobicContact CB-CG 4.37Å; P192-W249 HydrophobicContact CB-CZ2 4.23Å; P192-W249 HydrophobicContact CG-CZ2 4.15Å; F196-W249 HydrophobicContact CE2-CE3 4.15Å; F196-W249 AromaticContact CE2-CH2 3.75Å; F196-W249 HydrophobicContact CE2-CH2 3.75Å; F196-W249 HydrophobicContact CE2-CZ2 4.23Å; F196-W249 AromaticContact CE2-CZ3 3.72Å; F196-W249 HydrophobicContact CE2-CZ3 3.72Å; F196-W249 AromaticContact CZ-CE3 3.81Å; F196-W249 HydrophobicContact CZ-CE3 3.81Å; F196-W249 HydrophobicContact CZ-CH2 4.06Å; F196-W249 AromaticContact CZ-CZ3 3.53Å; F196-W249 HydrophobicContact CZ-CZ3 3.53Å; Y210-W249 HydrophobicContact CE1-CH2 4.12Å; Y210-W249 HydrophobicContact CE1-CZ3 4.15Å; T214-W249 HydrophobicContact CG2-CH2 3.51Å; T214-W249 HydrophobicContact CG2-CZ3 3.77Å; F245-W249 HydrophobicContact CE1-CB 4.45Å; F245-W249 HydrophobicContact CE2-CB 4.41Å; F245-W249 HydrophobicContact CZ-CB 4.25Å; F245-W249 VanDerWaalsContact O-CB 3.24Å; F245-W249 WeakPolarHBondContact O-CB 3.42Å; F245-W249 PolarHBondContact O-N 2.91Å; W249-I251 PolarHBondContact O-N 3.35Å; W249-F252 PolarHBondContact O-N 3.36Å; W249-S253 WeakPolarHBondContact O-CB 3.43Å; W249-S253 PolarHBondContact O-N 3.14Å
250F91.6Very high89.8Confident6 Ų635.1 Ų35.13%0.02618%0.183CC..Hα-helixtrans-62-45.2-178.6179.2-79.4000112.3F100 S104 V106 T214 V246 I247 V248 F252 S253 L254F100-F250 HydrophobicContact CD1-CD1 4.43Å; F100-F250 AromaticContact CE1-CD1 3.25Å; F100-F250 HydrophobicContact CE1-CD1 3.25Å; F100-F250 AromaticContact CE1-CE1 3.63Å; F100-F250 HydrophobicContact CE1-CE1 3.63Å; F100-F250 HydrophobicContact CE1-CG 4.08Å; F100-F250 AromaticContact CZ-CD1 3.39Å; F100-F250 HydrophobicContact CZ-CD1 3.39Å; F100-F250 AromaticContact CZ-CE1 3.65Å; F100-F250 HydrophobicContact CZ-CE1 3.65Å; S104-F250 WeakPolarHBondContact OG-CZ 3.12Å; V106-F250 HydrophobicContact CB-CZ 4.38Å; V106-F250 HydrophobicContact CG2-CE2 3.89Å; V106-F250 HydrophobicContact CG2-CZ 3.52Å; T214-F250 HydrophobicContact CG2-CD2 3.4Å; T214-F250 HydrophobicContact CG2-CE2 3.65Å; V246-F250 WeakPolarHBondContact O-CB 3.48Å; V246-F250 PolarHBondContact O-N 3.45Å; I247-F250 PolarHBondContact O-N 2.83Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 2.91Å; F250-F252 VanDerWaalsContact C-N 3.32Å; F250-F252 PolarHBondContact O-N 3.06Å; F250-S253 PolarHBondContact O-N 3.06Å; F250-L254 HydrophobicContact CE1-CD2 3.84Å; F250-L254 HydrophobicContact CZ-CD2 3.92Å; F250-L254 WeakPolarHBondContact O-CB 3.21Å; F250-L254 PolarHBondContact O-N 3.09Å
251I92.1Very high90.1Very high38 Ų3836.6 Ų36.620%0.19519%0.187CC..Hα-helixtrans-57-46.7175.8-70.3167.8000110.8F100 L140 I247 V248 W249 G255F100-I251 HydrophobicContact CE1-CG1 4.31Å; F100-I251 HydrophobicContact CE2-CD1 4.38Å; F100-I251 HydrophobicContact CE2-CG1 3.94Å; F100-I251 HydrophobicContact CZ-CD1 4.14Å; F100-I251 HydrophobicContact CZ-CG1 3.41Å; F100-I251 VanDerWaalsContact CZ-CG1 3.41Å; L140-I251 HydrophobicContact CD1-CG2 3.6Å; I247-I251 HydrophobicContact CG2-CD1 3.91Å; I247-I251 VanDerWaalsContact O-CG1 3.29Å; I247-I251 WeakPolarHBondContact O-CG1 3.03Å; I247-I251 PolarHBondContact O-N 3.14Å; V248-I251 PolarHBondContact O-N 3.41Å; W249-I251 PolarHBondContact O-N 3.35Å; I251-G255 PolarHBondContact O-N 2.9Å; I251-G255 VanDerWaalsContact O-N 3.09Å
252F92.4Very high90.1Very high91 Ų9135.1 Ų35.140%0.39918%0.178SC..Hα-helixtrans-70-39.4-179.5-80.8-123.2000111.4F144 F188 V248 W249 F250 G255 Y256F144-F252 AromaticContact CE1-CD1 3.9Å; F144-F252 HydrophobicContact CE1-CD1 3.9Å; F144-F252 HydrophobicContact CE1-CE1 4.33Å; F144-F252 WeakPolarHBondContact CE2-O 3.16Å; F144-F252 HydrophobicContact CZ-CB 4.06Å; F144-F252 AromaticContact CZ-CD1 3.57Å; F144-F252 HydrophobicContact CZ-CD1 3.57Å; F144-F252 HydrophobicContact CZ-CE1 4.25Å; F144-F252 AromaticContact CZ-CG 3.97Å; F144-F252 HydrophobicContact CZ-CG 3.97Å; F188-F252 HydrophobicContact CE1-CB 3.68Å; F188-F252 HydrophobicContact CZ-CB 4.1Å; V248-F252 HydrophobicContact CG1-CD2 4.05Å; V248-F252 HydrophobicContact CG1-CE2 3.98Å; V248-F252 VanDerWaalsContact O-CD2 3.23Å; V248-F252 WeakPolarHBondContact O-CD2 3.24Å; V248-F252 PolarHBondContact O-N 3.42Å; W249-F252 PolarHBondContact O-N 3.36Å; F250-F252 VanDerWaalsContact C-N 3.32Å; F250-F252 PolarHBondContact O-N 3.06Å; F252-G255 PolarHBondContact O-N 2.97Å; F252-Y256 VanDerWaalsContact O-CB 3.25Å; F252-Y256 WeakPolarHBondContact O-CB 3.47Å; F252-Y256 PolarHBondContact O-N 3.32Å
253S92.8Very high89.9Confident1 Ų136.4 Ų36.41%0.00718%0.183CC..Hα-helixtrans-63.5-44.6179-164.60000111.8F188 T215 W249 F250 Y256 L257F188-S253 VanDerWaalsContact CD1-CA 3.48Å; T215-S253 WeakPolarHBondContact CB-OG 3.33Å; T215-S253 WeakPolarHBondContact CG2-OG 3.42Å; T215-S253 PolarHBondContact OG1-OG 3.39Å; W249-S253 WeakPolarHBondContact O-CB 3.43Å; W249-S253 PolarHBondContact O-N 3.14Å; F250-S253 PolarHBondContact O-N 3.06Å; S253-Y256 CarbonylContact O-C 3.53Å; S253-Y256 WeakPolarHBondContact O-CA 3.08Å; S253-Y256 WeakPolarHBondContact O-CB 3.36Å; S253-Y256 PolarHBondContact O-N 2.87Å; S253-Y256 VanDerWaalsContact O-N 3.16Å; S253-L257 PolarHBondContact O-N 3.11Å
254L91Very high89.8Confident11 Ų1138.2 Ų38.26%0.05819%0.193CC..Hα-helixtrans-72.9-37.3179.2-171.943.9000112.2F137 T217 F250 Y256 L257 V258F137-L254 HydrophobicContact CD1-CB 4.23Å; F137-L254 HydrophobicContact CD1-CG 4.17Å; F137-L254 HydrophobicContact CD2-CD2 4.11Å; F137-L254 HydrophobicContact CD2-CG 3.92Å; F137-L254 HydrophobicContact CE1-CB 3.95Å; F137-L254 HydrophobicContact CE1-CD2 4.16Å; F137-L254 HydrophobicContact CE1-CG 4Å; F137-L254 HydrophobicContact CE2-CD2 3.41Å; F137-L254 VanDerWaalsContact CE2-CD2 3.41Å; F137-L254 HydrophobicContact CE2-CG 3.71Å; F137-L254 HydrophobicContact CG-CG 4.16Å; F137-L254 HydrophobicContact CZ-CB 4.11Å; F137-L254 HydrophobicContact CZ-CD2 3.46Å; F137-L254 VanDerWaalsContact CZ-CD2 3.46Å; F137-L254 HydrophobicContact CZ-CG 3.77Å; T217-L254 HydrophobicContact CG2-CD1 3.48Å; T217-L254 VanDerWaalsContact CG2-CD1 3.48Å; T217-L254 HydrophobicContact CG2-CD2 3.79Å; T217-L254 HydrophobicContact CG2-CG 4.3Å; F250-L254 HydrophobicContact CE1-CD2 3.84Å; F250-L254 HydrophobicContact CZ-CD2 3.92Å; F250-L254 WeakPolarHBondContact O-CB 3.21Å; F250-L254 PolarHBondContact O-N 3.09Å; L254-Y256 PolarHBondContact O-N 3.31Å; L254-L257 HydrophobicContact CD1-CB 4.35Å; L254-L257 HydrophobicContact CD1-CD2 4.46Å; L254-L257 PolarHBondContact O-N 3.09Å; L254-V258 PolarHBondContact O-N 3.47Å
255G91.7Very high89.6Confident0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-60.4-33.7167.100000113G141 I251 F252 V258 M259G141-G255 VanDerWaalsContact CA-O 3.28Å; G141-G255 WeakPolarHBondContact CA-O 3.22Å; I251-G255 PolarHBondContact O-N 2.9Å; I251-G255 VanDerWaalsContact O-N 3.09Å; F252-G255 PolarHBondContact O-N 2.97Å; G255-V258 PolarHBondContact O-N 2.81Å; G255-M259 PolarHBondContact O-N 3.47Å
256Y90.9Very high89.1Confident22 Ų2239.8 Ų39.89%0.08620%0.198CC..Hα-helixtrans-75.3-34.5175.4179.9-97000113.1A180 G184 F188 F252 S253 L254 V258 M259 I260A180-Y256 PolarHBondContact O-OH 3.23Å; G184-Y256 WeakPolarHBondContact CA-OH 3.32Å; F188-Y256 AromaticContact CD2-CD1 3.38Å; F188-Y256 HydrophobicContact CD2-CD1 3.38Å; F188-Y256 HydrophobicContact CD2-CD2 4.16Å; F188-Y256 HydrophobicContact CD2-CE1 4.01Å; F188-Y256 AromaticContact CD2-CG 3.49Å; F188-Y256 HydrophobicContact CD2-CG 3.49Å; F188-Y256 VanDerWaalsContact CD2-CG 3.49Å; F188-Y256 VanDerWaalsContact CE2-CB 3.45Å; F188-Y256 AromaticContact CE2-CD1 3.74Å; F188-Y256 HydrophobicContact CE2-CD1 3.74Å; F188-Y256 AromaticContact CE2-CD2 3.67Å; F188-Y256 HydrophobicContact CE2-CD2 3.67Å; F188-Y256 HydrophobicContact CE2-CE1 4.49Å; F188-Y256 HydrophobicContact CE2-CE2 4.42Å; F188-Y256 AromaticContact CE2-CG 3.3Å; F188-Y256 HydrophobicContact CE2-CG 3.3Å; F188-Y256 HydrophobicContact CG-CD1 4.28Å; F188-Y256 HydrophobicContact CZ-CG 4.23Å; F252-Y256 VanDerWaalsContact O-CB 3.25Å; F252-Y256 WeakPolarHBondContact O-CB 3.47Å; F252-Y256 PolarHBondContact O-N 3.32Å; S253-Y256 CarbonylContact O-C 3.53Å; S253-Y256 WeakPolarHBondContact O-CA 3.08Å; S253-Y256 WeakPolarHBondContact O-CB 3.36Å; S253-Y256 PolarHBondContact O-N 2.87Å; S253-Y256 VanDerWaalsContact O-N 3.16Å; L254-Y256 PolarHBondContact O-N 3.31Å; Y256-V258 VanDerWaalsContact C-N 3.32Å; Y256-V258 PolarHBondContact O-N 3.27Å; Y256-M259 HydrophobicContact CD2-CE 3.93Å; Y256-M259 HydrophobicContact CD2-SD 4.16Å; Y256-M259 HydrophobicContact CE2-CE 3.29Å; Y256-M259 HydrophobicContact CE2-SD 3.97Å; Y256-M259 WeakPolarHBondContact O-CA 3.46Å; Y256-M259 VanDerWaalsContact O-CB 3.27Å; Y256-M259 WeakPolarHBondContact O-CB 3.49Å; Y256-M259 PolarHBondContact O-N 3.36Å; Y256-M259 VanDerWaalsContact O-N 3.15Å; Y256-I260 HydrophobicContact CD1-CD1 4.06Å; Y256-I260 HydrophobicContact CE1-CD1 3.27Å; Y256-I260 HydrophobicContact CE1-CG1 3.89Å; Y256-I260 PolarHBondContact O-N 3.34Å
257L90.3Very high88.3Confident33 Ų3340.2 Ų40.217%0.17320%0.203CC..Hα-helixtrans-60-43.5168.4-176.8152.3000110.7T215 S253 L254 M259 I260 M261T215-L257 WeakPolarHBondContact O-CD1 3.36Å; S253-L257 PolarHBondContact O-N 3.11Å; L254-L257 HydrophobicContact CD1-CB 4.35Å; L254-L257 HydrophobicContact CD1-CD2 4.46Å; L254-L257 PolarHBondContact O-N 3.09Å; L257-M259 VanDerWaalsContact C-N 3.3Å; L257-M259 PolarHBondContact O-N 2.95Å; L257-I260 PolarHBondContact O-N 2.92Å; L257-I260 VanDerWaalsContact O-N 3.14Å; L257-M261 HydrophobicContact CD2-CE 4.32Å; L257-M261 HydrophobicContact CD2-CG 3.76Å; L257-M261 HydrophobicContact CG-CG 4.49Å; L257-M261 WeakPolarHBondContact O-CG 3.44Å; L257-M261 PolarHBondContact O-N 3.39Å
258V90.2Very high87.4Confident38 Ų3843.4 Ų43.423%0.2322%0.22CC..Hα-helixtrans-63.4-35.3174.2172.60000111.7F137 L254 G255 Y256 T262F137-V258 HydrophobicContact CB-CB 4.45Å; F137-V258 HydrophobicContact CB-CG2 3.88Å; L254-V258 PolarHBondContact O-N 3.47Å; G255-V258 PolarHBondContact O-N 2.81Å; Y256-V258 VanDerWaalsContact C-N 3.32Å; Y256-V258 PolarHBondContact O-N 3.27Å; V258-T262 HydrophobicContact CG1-CG2 4.44Å; V258-T262 WeakPolarHBondContact O-CB 3.43Å; V258-T262 WeakPolarHBondContact O-CG2 3.42Å; V258-T262 PolarHBondContact O-N 3.12Å; V258-T262 PolarHBondContact O-OG1 2.98Å
259M89.6Confident86.4Confident2 Ų242.9 Ų42.91%0.0121%0.213CC..Hα-helixtrans-59.9-48.9169.6-165.8-148.169.600111.4G141 F144 A180 G255 Y256 L257 T262 F263G141-M259 WeakPolarHBondContact O-CG 3.39Å; F144-M259 HydrophobicContact CB-CB 4.28Å; F144-M259 HydrophobicContact CB-CG 4.08Å; F144-M259 HydrophobicContact CB-SD 3.73Å; A180-M259 HydrophobicContact CB-CE 4.44Å; G255-M259 PolarHBondContact O-N 3.47Å; Y256-M259 HydrophobicContact CD2-CE 3.93Å; Y256-M259 HydrophobicContact CD2-SD 4.16Å; Y256-M259 HydrophobicContact CE2-CE 3.29Å; Y256-M259 HydrophobicContact CE2-SD 3.97Å; Y256-M259 WeakPolarHBondContact O-CA 3.46Å; Y256-M259 VanDerWaalsContact O-CB 3.27Å; Y256-M259 WeakPolarHBondContact O-CB 3.49Å; Y256-M259 PolarHBondContact O-N 3.36Å; Y256-M259 VanDerWaalsContact O-N 3.15Å; L257-M259 VanDerWaalsContact C-N 3.3Å; L257-M259 PolarHBondContact O-N 2.95Å; M259-T262 PolarHBondContact O-N 3.34Å; M259-T262 PolarHBondContact O-OG1 2.95Å; M259-F263 HydrophobicContact CE-CD2 3.9Å; M259-F263 HydrophobicContact CE-CE2 4.05Å; M259-F263 HydrophobicContact CG-CD2 3.84Å; M259-F263 HydrophobicContact CG-CE2 3.77Å; M259-F263 VanDerWaalsContact O-CD2 3.29Å; M259-F263 WeakPolarHBondContact O-CD2 3.5Å; M259-F263 PolarHBondContact O-N 3.34Å; M259-F263 HydrophobicContact SD-CD2 4.21Å; M259-F263 HydrophobicContact SD-CE2 3.87Å
260I88.6Confident85.6Confident32 Ų3243.2 Ų43.216%0.16422%0.218CC..Hα-helixtrans-60-50.3176.8-74.8173.9000111.1L181 Y256 L257 T262 F263 I264L181-I260 HydrophobicContact CD1-CD1 3.63Å; Y256-I260 HydrophobicContact CD1-CD1 4.06Å; Y256-I260 HydrophobicContact CE1-CD1 3.27Å; Y256-I260 HydrophobicContact CE1-CG1 3.89Å; Y256-I260 PolarHBondContact O-N 3.34Å; L257-I260 PolarHBondContact O-N 2.92Å; L257-I260 VanDerWaalsContact O-N 3.14Å; I260-T262 VanDerWaalsContact C-N 3.3Å; I260-T262 PolarHBondContact O-N 2.74Å; I260-F263 CarbonylContact O-C 3.6Å; I260-F263 PolarHBondContact O-N 2.85Å; I260-F263 VanDerWaalsContact O-N 3.1Å; I260-I264 HydrophobicContact CG2-CD1 3.54Å; I260-I264 HydrophobicContact CG2-CG1 4.14Å; I260-I264 WeakPolarHBondContact O-CG1 3.42Å; I260-I264 PolarHBondContact O-N 3.32Å
261M86.6Confident84.6Confident102 Ų10250 Ų5050%0.50225%0.247SC..Hα-helixtrans-61.7-37.5-177.3-71.6-62.7-17400112.1L257 T265L257-M261 HydrophobicContact CD2-CE 4.32Å; L257-M261 HydrophobicContact CD2-CG 3.76Å; L257-M261 HydrophobicContact CG-CG 4.49Å; L257-M261 WeakPolarHBondContact O-CG 3.44Å; L257-M261 PolarHBondContact O-N 3.39Å; M261-T265 VanDerWaalsContact O-CB 3.32Å; M261-T265 WeakPolarHBondContact O-CB 3.4Å; M261-T265 PolarHBondContact O-N 3.44Å; M261-T265 PolarHBondContact O-OG1 3.19Å
262T85.6Confident83.5Confident54 Ų5454.1 Ų54.133%0.33126%0.264SS..Hα-helixtrans-71.4-35.4174.154.40000112.7V258 M259 I260 R266V258-T262 HydrophobicContact CG1-CG2 4.44Å; V258-T262 WeakPolarHBondContact O-CB 3.43Å; V258-T262 WeakPolarHBondContact O-CG2 3.42Å; V258-T262 PolarHBondContact O-N 3.12Å; V258-T262 PolarHBondContact O-OG1 2.98Å; M259-T262 PolarHBondContact O-N 3.34Å; M259-T262 PolarHBondContact O-OG1 2.95Å; I260-T262 VanDerWaalsContact C-N 3.3Å; I260-T262 PolarHBondContact O-N 2.74Å; T262-R266 WeakPolarHBondContact O-CB 3.42Å; T262-R266 WeakPolarHBondContact O-CD 3.35Å; T262-R266 WeakPolarHBondContact O-CG 3.46Å; T262-R266 PolarHBondContact O-N 3.44Å
263F82.7Confident82.3Confident31 Ų3152.5 Ų52.514%0.13626%0.259CS..Hα-helixtrans-66.3-42.6171-89.8-66.7000112.9F148 V177 M259 I260 R266 G267F148-F263 HydrophobicContact CD1-CZ 4.48Å; V177-F263 HydrophobicContact CG2-CB 4.41Å; M259-F263 HydrophobicContact CE-CD2 3.9Å; M259-F263 HydrophobicContact CE-CE2 4.05Å; M259-F263 HydrophobicContact CG-CD2 3.84Å; M259-F263 HydrophobicContact CG-CE2 3.77Å; M259-F263 VanDerWaalsContact O-CD2 3.29Å; M259-F263 WeakPolarHBondContact O-CD2 3.5Å; M259-F263 PolarHBondContact O-N 3.34Å; M259-F263 HydrophobicContact SD-CD2 4.21Å; M259-F263 HydrophobicContact SD-CE2 3.87Å; I260-F263 CarbonylContact O-C 3.6Å; I260-F263 PolarHBondContact O-N 2.85Å; I260-F263 VanDerWaalsContact O-N 3.1Å; F263-R266 PolarHBondContact O-N 2.98Å; F263-G267 PolarHBondContact O-N 3.33Å
264I84Confident81.2Confident68 Ų6853.9 Ų53.935%0.34927%0.27SS..Hα-helixtrans-61.4-47.3174.5-69.2173.7000109.7V177 I260 R266 G267 L268V177-I264 HydrophobicContact CG1-CG1 4.3Å; I260-I264 HydrophobicContact CG2-CD1 3.54Å; I260-I264 HydrophobicContact CG2-CG1 4.14Å; I260-I264 WeakPolarHBondContact O-CG1 3.42Å; I260-I264 PolarHBondContact O-N 3.32Å; I264-R266 PolarHBondContact O-N 3.02Å; I264-G267 CarbonylContact O-C 3.59Å; I264-G267 WeakPolarHBondContact O-CA 3.3Å; I264-G267 PolarHBondContact O-N 2.88Å; I264-L268 HydrophobicContact CG2-CD1 3.89Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; I264-L268 WeakPolarHBondContact O-CG 3.44Å; I264-L268 PolarHBondContact O-N 3.33Å
265T83.6Confident80.5Confident67 Ų6760.4 Ų60.441%0.41130%0.295SS..Hα-helixtrans-59.5-46.9178.3-59.10000111.7M261 G267 L268 Q269M261-T265 VanDerWaalsContact O-CB 3.32Å; M261-T265 WeakPolarHBondContact O-CB 3.4Å; M261-T265 PolarHBondContact O-N 3.44Å; M261-T265 PolarHBondContact O-OG1 3.19Å; T265-G267 VanDerWaalsContact C-N 3.25Å; T265-G267 PolarHBondContact O-N 3.24Å; T265-L268 PolarHBondContact O-N 3.43Å; T265-Q269 WeakPolarHBondContact O-CB 3.39Å; T265-Q269 WeakPolarHBondContact O-CG 3.5Å; T265-Q269 PolarHBondContact O-N 3.44Å
266R79.8Confident79.6Confident133 Ų13364.9 Ų64.950%0.50232%0.319SS..Hα-helixtrans-62.1-32.5173.7-71.5168.8-177.4-173.53112.3T262 F263 I264 S270T262-R266 WeakPolarHBondContact O-CB 3.42Å; T262-R266 WeakPolarHBondContact O-CD 3.35Å; T262-R266 WeakPolarHBondContact O-CG 3.46Å; T262-R266 PolarHBondContact O-N 3.44Å; F263-R266 PolarHBondContact O-N 2.98Å; I264-R266 PolarHBondContact O-N 3.02Å; R266-S270 PolarHBondContact O-N 3.11Å
267G74.9Confident78.9Confident11 Ų1168.4 Ų68.411%0.11334%0.336CS..Hα-helixtrans-68.5-47.7175.500000113.3F263 I264 T265 Q269 S270F263-G267 PolarHBondContact O-N 3.33Å; I264-G267 CarbonylContact O-C 3.59Å; I264-G267 WeakPolarHBondContact O-CA 3.3Å; I264-G267 PolarHBondContact O-N 2.88Å; T265-G267 VanDerWaalsContact C-N 3.25Å; T265-G267 PolarHBondContact O-N 3.24Å; G267-Q269 VanDerWaalsContact C-N 3.31Å; G267-Q269 PolarHBondContact O-N 3.2Å; G267-S270 VanDerWaalsContact O-CB 3.22Å; G267-S270 WeakPolarHBondContact O-CB 3.38Å; G267-S270 PolarHBondContact O-N 3.23Å; G267-S270 VanDerWaalsContact O-N 3.12Å; G267-S270 PolarHBondContact O-OG 2.85Å
268L71.6Confident78.5Confident91 Ų9173.2 Ų73.248%0.47636%0.358SS..Hα-helixtrans-62.8-38.1175.7-66.3172.2000111.5I264 T265 S270 L273 L818I264-L268 HydrophobicContact CG2-CD1 3.89Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; I264-L268 WeakPolarHBondContact O-CG 3.44Å; I264-L268 PolarHBondContact O-N 3.33Å; T265-L268 PolarHBondContact O-N 3.43Å; L268-S270 PolarHBondContact O-N 2.76Å; L268-L273 HydrophobicContact CD2-CD2 3.86Å; L268-L818 HydrophobicContact CB-CD1 3.83Å
269Q70.1Confident77.9Confident55 Ų5575.5 Ų75.526%0.25737%0.366SS..THydrogen-bonded Turntrans-72.7-3.6174.8-73175.5-17.900114.8T265 G267 L818T265-Q269 WeakPolarHBondContact O-CB 3.39Å; T265-Q269 WeakPolarHBondContact O-CG 3.5Å; T265-Q269 PolarHBondContact O-N 3.44Å; G267-Q269 VanDerWaalsContact C-N 3.31Å; G267-Q269 PolarHBondContact O-N 3.2Å; Q269-L818 HydrophobicContact CG-CB 3.83Å; Q269-L818 PolarHBondContact NE2-O 3.44Å
270S77.8Confident77.4Confident21 Ų2180.7 Ų80.715%0.14739%0.393CS..  trans-74.3139-170.374.20000113.8R266 G267 L268 K272 L273 A274R266-S270 PolarHBondContact O-N 3.11Å; G267-S270 VanDerWaalsContact O-CB 3.22Å; G267-S270 WeakPolarHBondContact O-CB 3.38Å; G267-S270 PolarHBondContact O-N 3.23Å; G267-S270 VanDerWaalsContact O-N 3.12Å; G267-S270 PolarHBondContact O-OG 2.85Å; L268-S270 PolarHBondContact O-N 2.76Å; S270-K272 PolarHBondContact O-N 3.22Å; S270-K272 VanDerWaalsContact O-N 3.13Å; S270-L273 PolarHBondContact O-N 3.01Å; S270-L273 PolarHBondContact OG-N 3.29Å; S270-A274 PolarHBondContact O-N 2.93Å
271K70.9Confident77Confident149 Ų14981.3 Ų81.365%0.64840%0.4SS*.Hα-helixtrans-56.2-30.7176.8-67.7-164.7176.2-164.80113Y275K271-Y275 WeakPolarHBondContact O-CB 3.49Å; K271-Y275 PolarHBondContact O-N 2.89Å
272K67.8Low76.8Confident124 Ų12479.3 Ų79.354%0.53940%0.396SS..Hα-helixtrans-67.7-41.9175-72.9-163.9174.4-166.90112S270 Y275 L276S270-K272 PolarHBondContact O-N 3.22Å; S270-K272 VanDerWaalsContact O-N 3.13Å; K272-Y275 PolarHBondContact O-N 3.4Å; K272-L276 WeakPolarHBondContact O-CG 3.24Å; K272-L276 PolarHBondContact O-N 3.25Å; K272-L276 VanDerWaalsContact O-N 3.12Å
273L67.4Low76.9Confident57 Ų5781.3 Ų81.330%0.29841%0.405SS..Hα-helixtrans-70.3-40.2175.6-168.471.2000111.5L268 S270 Y275 L276 E277L268-L273 HydrophobicContact CD2-CD2 3.86Å; S270-L273 PolarHBondContact O-N 3.01Å; S270-L273 PolarHBondContact OG-N 3.29Å; L273-Y275 VanDerWaalsContact C-N 3.28Å; L273-Y275 PolarHBondContact O-N 3.05Å; L273-L276 CarbonylContact O-C 3.58Å; L273-L276 PolarHBondContact O-N 2.87Å; L273-L276 VanDerWaalsContact O-N 3.11Å; L273-E277 PolarHBondContact O-N 3.02Å
274A70.2Confident76.8Confident30 Ų3084.6 Ų84.625%0.24842%0.424CS..Hα-helixtrans-60.5-36.5175.400000112.6S270 Q278 P816S270-A274 PolarHBondContact O-N 2.93Å; A274-Q278 WeakPolarHBondContact O-CB 3.43Å; A274-Q278 PolarHBondContact O-N 3.47Å; A274-P816 HydrophobicContact CB-CB 4.29Å
275Y76.7Confident76.9Confident148 Ų14887.4 Ų87.458%0.5843%0.433SS*.Hα-helixtrans-66.1-42.7172.1179.5-92.4000112.2K271 K272 L273 Q278 Q279K271-Y275 WeakPolarHBondContact O-CB 3.49Å; K271-Y275 PolarHBondContact O-N 2.89Å; K272-Y275 PolarHBondContact O-N 3.4Å; L273-Y275 VanDerWaalsContact C-N 3.28Å; L273-Y275 PolarHBondContact O-N 3.05Å; Y275-Q278 WeakPolarHBondContact O-CB 3.4Å; Y275-Q278 PolarHBondContact O-N 3.49Å; Y275-Q279 WeakPolarHBondContact O-CB 3.3Å; Y275-Q279 PolarHBondContact O-N 2.88Å
276L73Confident76.9Confident95 Ų9587 Ų8750%0.49744%0.437SS..Hα-helixtrans-66.1-38.9175.4-69.8169.7000112.3K272 L273 Q279 L280K272-L276 WeakPolarHBondContact O-CG 3.24Å; K272-L276 PolarHBondContact O-N 3.25Å; K272-L276 VanDerWaalsContact O-N 3.12Å; L273-L276 CarbonylContact O-C 3.58Å; L273-L276 PolarHBondContact O-N 2.87Å; L273-L276 VanDerWaalsContact O-N 3.11Å; L276-Q279 PolarHBondContact O-N 3.28Å; L276-L280 VanDerWaalsContact O-CB 3.28Å; L276-L280 WeakPolarHBondContact O-CB 3.35Å; L276-L280 PolarHBondContact O-N 3.48Å
277E75.2Confident77Confident95 Ų9584.2 Ų84.244%0.44443%0.434SS..Hα-helixtrans-59.8-46.9171.1-173.9-161.9151.700110.2L273 Q279 L280 S281L273-E277 PolarHBondContact O-N 3.02Å; E277-Q279 PolarHBondContact O-N 3.2Å; E277-L280 PolarHBondContact O-N 2.93Å; E277-S281 VanDerWaalsContact O-CB 3.26Å; E277-S281 WeakPolarHBondContact O-CB 3.49Å; E277-S281 PolarHBondContact O-N 3.01Å; E277-S281 PolarHBondContact O-OG 3.43Å
278Q81.3Confident77.5Confident134 Ų13488.7 Ų88.763%0.62645%0.452SS*.Hα-helixtrans-59.7-48.1177.1-176173.3-10.800111.2A274 Y275 S281 S282A274-Q278 WeakPolarHBondContact O-CB 3.43Å; A274-Q278 PolarHBondContact O-N 3.47Å; Y275-Q278 WeakPolarHBondContact O-CB 3.4Å; Y275-Q278 PolarHBondContact O-N 3.49Å; Q278-S281 PolarHBondContact O-N 3.13Å; Q278-S281 PolarHBondContact O-OG 3.12Å; Q278-S282 PolarHBondContact O-N 2.99Å; Q278-S282 PolarHBondContact O-OG 2.98Å
279Q79.1Confident78.2Confident86 Ų8689.5 Ų89.540%0.40246%0.457SS..Hα-helixtrans-64.9-41179.1-169.9176.84.200112.6Y275 L276 E277 S282 N283Y275-Q279 WeakPolarHBondContact O-CB 3.3Å; Y275-Q279 PolarHBondContact O-N 2.88Å; L276-Q279 PolarHBondContact O-N 3.28Å; E277-Q279 PolarHBondContact O-N 3.2Å; Q279-S282 WeakPolarHBondContact CA-OG 3.28Å; Q279-S282 PolarHBondContact O-OG 2.91Å; Q279-N283 WeakPolarHBondContact O-CB 3.38Å; Q279-N283 VanDerWaalsContact O-CG 3.27Å; Q279-N283 PolarHBondContact O-N 3.5Å; Q279-N283 PolarHBondContact O-ND2 3.43Å
280L79.2Confident79Confident112 Ų11296.2 Ų96.259%0.58648%0.48SS*.Hα-helixtrans-62.8-44.5172.6-168.583.2000110.6L276 E277 S282 N283 L284L276-L280 VanDerWaalsContact O-CB 3.28Å; L276-L280 WeakPolarHBondContact O-CB 3.35Å; L276-L280 PolarHBondContact O-N 3.48Å; E277-L280 PolarHBondContact O-N 2.93Å; L280-S282 PolarHBondContact O-N 2.7Å; L280-N283 PolarHBondContact O-N 3.45Å; L280-L284 HydrophobicContact CD2-CD1 4.21Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.91Å
281S80.4Confident79.3Confident44 Ų44100.4 Ų100.431%0.30850%0.5SS..Hα-helixtrans-67.9-33.7-179.282.60000113.1E277 Q278 K285E277-S281 VanDerWaalsContact O-CB 3.26Å; E277-S281 WeakPolarHBondContact O-CB 3.49Å; E277-S281 PolarHBondContact O-N 3.01Å; E277-S281 PolarHBondContact O-OG 3.43Å; Q278-S281 PolarHBondContact O-N 3.13Å; Q278-S281 PolarHBondContact O-OG 3.12Å; S281-K285 WeakPolarHBondContact O-CB 3.26Å; S281-K285 WeakPolarHBondContact O-CD 3.42Å; S281-K285 VanDerWaalsContact O-CG 3.23Å; S281-K285 WeakPolarHBondContact O-CG 3.43Å; S281-K285 PolarHBondContact O-N 3.19Å
282S81.8Confident79.7Confident61 Ų61100.9 Ų100.943%0.42750%0.498SS..Hα-helixtrans-70.6-40.3172.851.30000111.5Q278 Q279 L280 K285 A286Q278-S282 PolarHBondContact O-N 2.99Å; Q278-S282 PolarHBondContact O-OG 2.98Å; Q279-S282 WeakPolarHBondContact CA-OG 3.28Å; Q279-S282 PolarHBondContact O-OG 2.91Å; L280-S282 PolarHBondContact O-N 2.7Å; S282-K285 PolarHBondContact O-N 3.04Å; S282-A286 WeakPolarHBondContact O-CB 3.36Å; S282-A286 PolarHBondContact O-N 3.49Å
283N87.3Confident80.4Confident95 Ų9597.2 Ų97.251%0.50849%0.488SS..Hα-helixtrans-64.4-44.9175.3-73.9-22.6000111.7Q279 L280 K285 A286 T287Q279-N283 WeakPolarHBondContact O-CB 3.38Å; Q279-N283 VanDerWaalsContact O-CG 3.27Å; Q279-N283 PolarHBondContact O-N 3.5Å; Q279-N283 PolarHBondContact O-ND2 3.43Å; L280-N283 PolarHBondContact O-N 3.45Å; N283-K285 PolarHBondContact O-N 3.27Å; N283-A286 PolarHBondContact O-N 3.03Å; N283-T287 PolarHBondContact O-N 3.04Å; N283-T287 PolarHBondContact O-OG1 3.29Å
284L81.8Confident81.1Confident101 Ų10195.6 Ų95.653%0.52949%0.485SS..Hα-helixtrans-64.2-37.5176-74.7171000112.6L280 T287 Q288L280-L284 HydrophobicContact CD2-CD1 4.21Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.91Å; L284-T287 WeakPolarHBondContact CA-OG1 3.39Å; L284-T287 PolarHBondContact O-OG1 3.01Å; L284-T287 VanDerWaalsContact O-OG1 3.09Å; L284-Q288 WeakPolarHBondContact O-CB 3.31Å; L284-Q288 PolarHBondContact O-N 3.25Å
285K85.9Confident81.8Confident127 Ų12797.8 Ų97.855%0.55250%0.495SS*.Hα-helixtrans-67.2-37.9171.9-75.4170.1-178.9176.30112.1S281 S282 N283 N289S281-K285 WeakPolarHBondContact O-CB 3.26Å; S281-K285 WeakPolarHBondContact O-CD 3.42Å; S281-K285 VanDerWaalsContact O-CG 3.23Å; S281-K285 WeakPolarHBondContact O-CG 3.43Å; S281-K285 PolarHBondContact O-N 3.19Å; S282-K285 PolarHBondContact O-N 3.04Å; N283-K285 PolarHBondContact O-N 3.27Å; K285-N289 VanDerWaalsContact O-CB 3.25Å; K285-N289 WeakPolarHBondContact O-CB 3.42Å; K285-N289 PolarHBondContact O-N 2.87Å; K285-N289 PolarHBondContact O-OD1 3.29Å
286A82.3Confident82.3Confident59 Ų5994.7 Ų94.749%0.48849%0.492SS..Hα-helixtrans-66.9-42.5176.500000112S282 N283 R290S282-A286 WeakPolarHBondContact O-CB 3.36Å; S282-A286 PolarHBondContact O-N 3.49Å; N283-A286 PolarHBondContact O-N 3.03Å; A286-R290 VanDerWaalsContact O-CB 3.28Å; A286-R290 WeakPolarHBondContact O-CB 3.43Å; A286-R290 PolarHBondContact O-N 3.35Å
287T81.6Confident82.9Confident73 Ų7396.3 Ų96.345%0.44850%0.495SS..Hα-helixtrans-68.9-42.9174.756.50000111.6N283 L284 R290 I291N283-T287 PolarHBondContact O-N 3.04Å; N283-T287 PolarHBondContact O-OG1 3.29Å; L284-T287 WeakPolarHBondContact CA-OG1 3.39Å; L284-T287 PolarHBondContact O-OG1 3.01Å; L284-T287 VanDerWaalsContact O-OG1 3.09Å; T287-R290 PolarHBondContact O-N 2.78Å; T287-I291 WeakPolarHBondContact O-CB 3.39Å; T287-I291 WeakPolarHBondContact O-CD1 3.47Å; T287-I291 VanDerWaalsContact O-CG1 3.25Å; T287-I291 WeakPolarHBondContact O-CG1 3.37Å; T287-I291 PolarHBondContact O-N 3.3Å
288Q85.4Confident83.3Confident105 Ų10596.6 Ų96.649%0.49150%0.499SS..Hα-helixtrans-56.2-53173.2-179.1178.9-500111L284 R290 I291 W292L284-Q288 WeakPolarHBondContact O-CB 3.31Å; L284-Q288 PolarHBondContact O-N 3.25Å; Q288-R290 VanDerWaalsContact C-N 3.3Å; Q288-R290 PolarHBondContact O-N 2.84Å; Q288-I291 PolarHBondContact O-N 2.94Å; Q288-W292 VanDerWaalsContact O-CD1 3.29Å; Q288-W292 PolarHBondContact O-N 3.11Å
289N87.1Confident83.6Confident108 Ų10894.5 Ų94.558%0.57850%0.495SS*.Hα-helixtrans-61-38.9179.4-71.3-3.7000111.7K285 S293K285-N289 VanDerWaalsContact O-CB 3.25Å; K285-N289 WeakPolarHBondContact O-CB 3.42Å; K285-N289 PolarHBondContact O-N 2.87Å; K285-N289 PolarHBondContact O-OD1 3.29Å; N289-S293 VanDerWaalsContact O-CB 3.24Å; N289-S293 WeakPolarHBondContact O-CB 3.37Å; N289-S293 PolarHBondContact O-N 3.06Å; N289-S293 PolarHBondContact O-OG 2.87Å
290R86.6Confident83.9Confident197 Ų19791.9 Ų91.974%0.74349%0.491SS*.Hα-helixtrans-62.6-47.2174.7-174173.6178171.7-2111.7A286 T287 Q288 S293 G294A286-R290 VanDerWaalsContact O-CB 3.28Å; A286-R290 WeakPolarHBondContact O-CB 3.43Å; A286-R290 PolarHBondContact O-N 3.35Å; T287-R290 PolarHBondContact O-N 2.78Å; Q288-R290 VanDerWaalsContact C-N 3.3Å; Q288-R290 PolarHBondContact O-N 2.84Å; R290-S293 PolarHBondContact O-N 3.43Å; R290-S293 PolarHBondContact O-OG 3.07Å; R290-G294 PolarHBondContact O-N 3.4Å
291I84.2Confident84Confident108 Ų10893.5 Ų93.555%0.55449%0.491SS*.Hα-helixtrans-62.2-49.8178.2-68.8162.4000110.6T287 Q288 S293 G294 V295T287-I291 WeakPolarHBondContact O-CB 3.39Å; T287-I291 WeakPolarHBondContact O-CD1 3.47Å; T287-I291 VanDerWaalsContact O-CG1 3.25Å; T287-I291 WeakPolarHBondContact O-CG1 3.37Å; T287-I291 PolarHBondContact O-N 3.3Å; Q288-I291 PolarHBondContact O-N 2.94Å; I291-S293 VanDerWaalsContact C-N 3.29Å; I291-S293 PolarHBondContact O-N 3.45Å; I291-G294 WeakPolarHBondContact O-CA 3.49Å; I291-G294 PolarHBondContact O-N 3.34Å; I291-V295 HydrophobicContact CG2-CG2 4.39Å; I291-V295 WeakPolarHBondContact O-CG2 3.38Å; I291-V295 PolarHBondContact O-N 3.42Å
292W78.7Confident84Confident160 Ų16096.8 Ų96.861%0.60650%0.504SS*.Hα-helixtrans-61.9-35.3176.6-82.986.2000112.3Q288 G294 T296Q288-W292 VanDerWaalsContact O-CD1 3.29Å; Q288-W292 PolarHBondContact O-N 3.11Å; W292-G294 VanDerWaalsContact C-N 3.28Å; W292-G294 PolarHBondContact O-N 3.32Å; W292-T296 WeakPolarHBondContact O-CB 3.47Å; W292-T296 WeakPolarHBondContact O-CG2 3.43Å; W292-T296 PolarHBondContact O-N 2.93Å; W292-T296 PolarHBondContact O-OG1 3.45Å
293S82.6Confident84.1Confident47 Ų47103.4 Ų103.433%0.32952%0.52SS..Hα-helixtrans-70.6-20.5173830000114.1N289 R290 I291 K297N289-S293 VanDerWaalsContact O-CB 3.24Å; N289-S293 WeakPolarHBondContact O-CB 3.37Å; N289-S293 PolarHBondContact O-N 3.06Å; N289-S293 PolarHBondContact O-OG 2.87Å; R290-S293 PolarHBondContact O-N 3.43Å; R290-S293 PolarHBondContact O-OG 3.07Å; I291-S293 VanDerWaalsContact C-N 3.29Å; I291-S293 PolarHBondContact O-N 3.45Å; S293-K297 WeakPolarHBondContact O-CD 3.25Å; S293-K297 WeakPolarHBondContact O-CE 3.48Å; S293-K297 WeakPolarHBondContact O-CG 3.32Å
294G83.4Confident83.9Confident23 Ų23106.4 Ų106.424%0.23752%0.524CS..Hα-helixtrans-76.1-62.9168.700000109.9R290 I291 W292 T296 K297 D298R290-G294 PolarHBondContact O-N 3.4Å; I291-G294 WeakPolarHBondContact O-CA 3.49Å; I291-G294 PolarHBondContact O-N 3.34Å; W292-G294 VanDerWaalsContact C-N 3.28Å; W292-G294 PolarHBondContact O-N 3.32Å; G294-T296 PolarHBondContact O-N 3.42Å; G294-T296 VanDerWaalsContact O-N 3.09Å; G294-K297 CarbonylContact O-C 3.47Å; G294-K297 WeakPolarHBondContact O-CA 3.33Å; G294-K297 WeakPolarHBondContact O-CB 3.38Å; G294-K297 PolarHBondContact O-N 3.05Å; G294-D298 VanDerWaalsContact O-CG 3.25Å; G294-D298 PolarHBondContact O-N 3.27Å
295V84.9Confident83.6Confident75 Ų75107.2 Ų107.246%0.45553%0.526SS..Hα-helixtrans-51.7-40.4-178.4175.80000112.5I291 D298 V299I291-V295 HydrophobicContact CG2-CG2 4.39Å; I291-V295 WeakPolarHBondContact O-CG2 3.38Å; I291-V295 PolarHBondContact O-N 3.42Å; V295-D298 PolarHBondContact O-N 3.08Å; V295-V299 HydrophobicContact CG1-CG2 4.4Å; V295-V299 WeakPolarHBondContact O-CB 3.38Å; V295-V299 VanDerWaalsContact O-CG2 3.25Å; V295-V299 WeakPolarHBondContact O-CG2 3.49Å; V295-V299 PolarHBondContact O-N 2.82Å
296T86.9Confident83.1Confident84 Ų84107.3 Ų107.352%0.51553%0.532SS..Hα-helixtrans-69.9-33.1176.749.60000113.7W292 G294 G300W292-T296 WeakPolarHBondContact O-CB 3.47Å; W292-T296 WeakPolarHBondContact O-CG2 3.43Å; W292-T296 PolarHBondContact O-N 2.93Å; W292-T296 PolarHBondContact O-OG1 3.45Å; G294-T296 PolarHBondContact O-N 3.42Å; G294-T296 VanDerWaalsContact O-N 3.09Å; T296-G300 PolarHBondContact O-N 3.42Å
297K85.5Confident82.9Confident129 Ų129109.3 Ų109.356%0.56154%0.535SS*.Hα-helixtrans-69-44.7170.1-72169.6-169.4167.30110.8S293 G294 V299 G300 Y301S293-K297 WeakPolarHBondContact O-CD 3.25Å; S293-K297 WeakPolarHBondContact O-CE 3.48Å; S293-K297 WeakPolarHBondContact O-CG 3.32Å; G294-K297 CarbonylContact O-C 3.47Å; G294-K297 WeakPolarHBondContact O-CA 3.33Å; G294-K297 WeakPolarHBondContact O-CB 3.38Å; G294-K297 PolarHBondContact O-N 3.05Å; K297-V299 PolarHBondContact O-N 2.91Å; K297-G300 CarbonylContact O-C 3.57Å; K297-G300 VanDerWaalsContact O-CA 3.31Å; K297-G300 WeakPolarHBondContact O-CA 3.36Å; K297-G300 PolarHBondContact O-N 2.83Å; K297-Y301 VanDerWaalsContact O-CD2 3.28Å; K297-Y301 WeakPolarHBondContact O-CD2 3.43Å; K297-Y301 PolarHBondContact O-N 2.92Å
298D84.4Confident82.8Confident100 Ų100111.2 Ų111.254%0.53554%0.539SS..Hα-helixtrans-63.8-43.8-178.1-57.2-31.3000111G294 V295 G300 Y301 L302G294-D298 VanDerWaalsContact O-CG 3.25Å; G294-D298 PolarHBondContact O-N 3.27Å; V295-D298 PolarHBondContact O-N 3.08Å; D298-G300 VanDerWaalsContact C-N 3.29Å; D298-G300 PolarHBondContact O-N 2.84Å; D298-Y301 PolarHBondContact O-N 3.49Å; D298-L302 WeakPolarHBondContact O-CB 3.23Å; D298-L302 PolarHBondContact O-N 3.21Å
299V86.3Confident81.8Confident91 Ų91112.4 Ų112.455%0.55255%0.548SS*.Hα-helixtrans-62.2-35.71701700000111.7V295 K297 R303V295-V299 HydrophobicContact CG1-CG2 4.4Å; V295-V299 WeakPolarHBondContact O-CB 3.38Å; V295-V299 VanDerWaalsContact O-CG2 3.25Å; V295-V299 WeakPolarHBondContact O-CG2 3.49Å; V295-V299 PolarHBondContact O-N 2.82Å; K297-V299 PolarHBondContact O-N 2.91Å; V299-R303 VanDerWaalsContact O-CB 3.28Å; V299-R303 WeakPolarHBondContact O-CB 3.42Å; V299-R303 PolarHBondContact O-N 3.24Å
300G85.1Confident80.7Confident31 Ų31116.9 Ų116.932%0.3256%0.558SS.*Hα-helixtrans-64.9-43.5173.400000113.6T296 K297 D298 R303 R304T296-G300 PolarHBondContact O-N 3.42Å; K297-G300 CarbonylContact O-C 3.57Å; K297-G300 VanDerWaalsContact O-CA 3.31Å; K297-G300 WeakPolarHBondContact O-CA 3.36Å; K297-G300 PolarHBondContact O-N 2.83Å; D298-G300 VanDerWaalsContact C-N 3.29Å; D298-G300 PolarHBondContact O-N 2.84Å; G300-R303 PolarHBondContact O-N 3.29Å; G300-R304 WeakPolarHBondContact O-CG 3.17Å; G300-R304 PolarHBondContact O-N 3.48Å
301Y82.9Confident79.6Confident146 Ų146113.4 Ų113.457%0.57355%0.553SS**Hα-helixtrans-65.8-44.3173-84.4-74.4000111.4K297 D298 R303 R304 M305K297-Y301 VanDerWaalsContact O-CD2 3.28Å; K297-Y301 WeakPolarHBondContact O-CD2 3.43Å; K297-Y301 PolarHBondContact O-N 2.92Å; D298-Y301 PolarHBondContact O-N 3.49Å; Y301-R303 VanDerWaalsContact C-N 3.29Å; Y301-R303 PolarHBondContact O-N 3.44Å; Y301-R304 PolarHBondContact O-N 3.34Å; Y301-R304 VanDerWaalsContact O-N 3.15Å; Y301-M305 PolarHBondContact O-N 3.37Å
302L79.5Confident77.9Confident113 Ų113113.9 Ų113.959%0.59256%0.556SS**Hα-helixtrans-59.6-42.2176-157.477.6000110.8D298 M305 L306D298-L302 WeakPolarHBondContact O-CB 3.23Å; D298-L302 PolarHBondContact O-N 3.21Å; L302-M305 HydrophobicContact CD1-CE 4.47Å; L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.25Å; L302-L306 PolarHBondContact O-N 3.14Å
303R83.1Confident76.4Confident199 Ų199115.2 Ų115.275%0.75157%0.566SS**Hα-helixtrans-66.3-36175.5-172.1175.8-179.2-175.80.3112.9V299 G300 Y301 N307V299-R303 VanDerWaalsContact O-CB 3.28Å; V299-R303 WeakPolarHBondContact O-CB 3.42Å; V299-R303 PolarHBondContact O-N 3.24Å; G300-R303 PolarHBondContact O-N 3.29Å; Y301-R303 VanDerWaalsContact C-N 3.29Å; Y301-R303 PolarHBondContact O-N 3.44Å; R303-N307 WeakPolarHBondContact O-CB 3.25Å; R303-N307 PolarHBondContact O-N 3.05Å; R303-N307 VanDerWaalsContact O-N 3.16Å
304R83.8Confident74.4Confident159 Ų159117.9 Ų117.960%0.658%0.58SS**Hα-helixtrans-66.7-52.2172.9-78.3178.9176.5156.5-1.5111.5G300 Y301 L306 N307 E308G300-R304 WeakPolarHBondContact O-CG 3.17Å; G300-R304 PolarHBondContact O-N 3.48Å; Y301-R304 PolarHBondContact O-N 3.34Å; Y301-R304 VanDerWaalsContact O-N 3.15Å; R304-L306 VanDerWaalsContact C-N 3.3Å; R304-L306 PolarHBondContact O-N 2.93Å; R304-N307 WeakPolarHBondContact O-CB 3.48Å; R304-N307 PolarHBondContact O-N 3.31Å; R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 3.37Å
305M76Confident71.9Confident117 Ų117126 Ų12658%0.57661%0.609SS**Hα-helixtrans-57.7-42.2176.3-70.7-155.1-58.700111.9Y301 L302 N307 E308 L309Y301-M305 PolarHBondContact O-N 3.37Å; L302-M305 HydrophobicContact CD1-CE 4.47Å; M305-N307 VanDerWaalsContact C-N 3.27Å; M305-N307 PolarHBondContact O-N 3.22Å; M305-E308 PolarHBondContact O-N 3.27Å; M305-L309 WeakPolarHBondContact O-CB 3.44Å; M305-L309 PolarHBondContact O-N 3.47Å
306L74.3Confident69.2Low130 Ų130131.6 Ų131.668%0.68163%0.627SS**Hα-helixtrans-60.9-38.4176.8-157.382.3000111.8L302 R304 Y310L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.25Å; L302-L306 PolarHBondContact O-N 3.14Å; R304-L306 VanDerWaalsContact C-N 3.3Å; R304-L306 PolarHBondContact O-N 2.93Å; L306-Y310 WeakPolarHBondContact O-CB 3.28Å; L306-Y310 PolarHBondContact O-N 3.39Å
307N78.2Confident66.4Low101 Ų101133.8 Ų133.854%0.5465%0.645SS.*Hα-helixtrans-73.1-41.6178.6-159.754.4000112R303 R304 M305 Y310 I311R303-N307 WeakPolarHBondContact O-CB 3.25Å; R303-N307 PolarHBondContact O-N 3.05Å; R303-N307 VanDerWaalsContact O-N 3.16Å; R304-N307 WeakPolarHBondContact O-CB 3.48Å; R304-N307 PolarHBondContact O-N 3.31Å; M305-N307 VanDerWaalsContact C-N 3.27Å; M305-N307 PolarHBondContact O-N 3.22Å; N307-Y310 WeakPolarHBondContact O-CB 3.48Å; N307-Y310 PolarHBondContact O-N 3.08Å; N307-I311 WeakPolarHBondContact O-CD1 3.47Å; N307-I311 VanDerWaalsContact O-CG1 3.28Å; N307-I311 WeakPolarHBondContact O-CG1 3.3Å; N307-I311 PolarHBondContact O-N 3.24Å
308E79.4Confident63.6Low113 Ų113138.1 Ų138.153%0.52866%0.657SS.*Hα-helixtrans-63.9-41.2174.3-72.6165.5-153.700111.7R304 M305 Y310 I311 L312R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 3.37Å; M305-E308 PolarHBondContact O-N 3.27Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 3.39Å; E308-I311 CarbonylContact O-C 3.6Å; E308-I311 PolarHBondContact O-N 3.34Å; E308-I311 VanDerWaalsContact O-N 3.14Å; E308-L312 WeakPolarHBondContact O-CB 3.47Å; E308-L312 WeakPolarHBondContact O-CG 3.46Å; E308-L312 PolarHBondContact O-N 3Å
309L65.4Low61Low129 Ų129142.6 Ų142.668%0.67567%0.672SS**Hα-helixtrans-67.4-33.5175.3-152.3165.7000111.2M305 I311 L312M305-L309 WeakPolarHBondContact O-CB 3.44Å; M305-L309 PolarHBondContact O-N 3.47Å; L309-I311 VanDerWaalsContact C-N 3.32Å; L309-L312 PolarHBondContact O-N 2.85Å
310Y62.9Low58.3Low202 Ų202142 Ų14279%0.79268%0.684SS**Hα-helixtrans-68.1-29.5171.5-155.8-96000113L306 N307 E308L306-Y310 WeakPolarHBondContact O-CB 3.28Å; L306-Y310 PolarHBondContact O-N 3.39Å; N307-Y310 WeakPolarHBondContact O-CB 3.48Å; N307-Y310 PolarHBondContact O-N 3.08Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 3.39Å
311I64.2Low55.7Low125 Ų125148.1 Ų148.164%0.64171%0.71SS**Hα-helixtrans-80.7-32.4175-68.3162.4000111.5N307 E308 L309 K313N307-I311 WeakPolarHBondContact O-CD1 3.47Å; N307-I311 VanDerWaalsContact O-CG1 3.28Å; N307-I311 WeakPolarHBondContact O-CG1 3.3Å; N307-I311 PolarHBondContact O-N 3.24Å; E308-I311 CarbonylContact O-C 3.6Å; E308-I311 PolarHBondContact O-N 3.34Å; E308-I311 VanDerWaalsContact O-N 3.14Å; L309-I311 VanDerWaalsContact C-N 3.32Å; I311-K313 PolarHBondContact O-N 3.13Å
312L48.9Very low53.1Low118 Ų118153.2 Ų153.262%0.61873%0.728SS**  trans-7356178.3-78.1168.1000113.4E308 L309 V314E308-L312 WeakPolarHBondContact O-CB 3.47Å; E308-L312 WeakPolarHBondContact O-CG 3.46Å; E308-L312 PolarHBondContact O-N 3Å; L309-L312 PolarHBondContact O-N 2.85Å; L312-V314 HydrophobicContact CD2-CG2 4.41Å; L312-V314 PolarHBondContact O-N 3.01Å
313K47Very low50.7Low187 Ų187157.5 Ų157.581%0.81374%0.742SS**  trans-78.360.5172.4-159.9165.6-170.41660111.2I311 K315I311-K313 PolarHBondContact O-N 3.13Å; K313-K315 PolarHBondContact O-N 3.12Å
314V39.8Very low48.1Very low104 Ų104157.6 Ų157.663%0.6375%0.748SS**  trans-56.1123.6-173178.70000111.4L312 F316L312-V314 HydrophobicContact CD2-CG2 4.41Å; L312-V314 PolarHBondContact O-N 3.01Å; V314-F316 HydrophobicContact CG1-CD2 4.25Å
315K32.5Very low45.8Very low194 Ų194155.6 Ų155.684%0.84376%0.755SS**  trans-105.1114.4168.4-73.1-177.3177.7177.50109.9K313K313-K315 PolarHBondContact O-N 3.12Å
316F26.4Very low43.6Very low191 Ų191159 Ų15984%0.83877%0.767SS**  trans-74.5137.6169.2-102.3-96.2000111.3V314V314-F316 HydrophobicContact CG1-CD2 4.25Å
317C29.4Very low41.5Very low130 Ų130159.5 Ų159.588%0.87877%0.77SS**  trans-146134.8166.2-85.90000109.2
318R26Very low39.1Very low220 Ų220163.7 Ų163.783%0.8378%0.784SS**  trans-141.3119.3-178.7-168.5-179.6-162.6-161.86.3113.4
319K30.4Very low36.7Very low195 Ų195162.4 Ų162.485%0.84879%0.793SS**  trans60.9145.5164.2-72-175.4172.1-172.60118.3
320G29.9Very low34.9Very low78 Ų78166 Ų16680%0.80480%0.803SS**  trans17558.8174.200000115.3R322G320-R322 PolarHBondContact O-N 3.32Å
321N29.1Very low33.4Very low160 Ų160162.5 Ų162.586%0.85680%0.802SS**  trans-69.6124.4172-94.3-8.7000111.2
322R28.2Very low31.8Very low253 Ų253164 Ų16496%0.95581%0.807SS**  trans-172.8150133-100.8153.6-170.1-161.81.6112.6G320G320-R322 PolarHBondContact O-N 3.32Å
323K30.6Very low30.8Very low203 Ų203165 Ų16588%0.88381%0.809SS**  trans-79.1160.3-177-47.8173.1-177179.30111.5
324K28.1Very low29.9Very low201 Ų201164.1 Ų164.187%0.87481%0.805SS**  trans-166.6161.8135.9-89.6-111.1177.7176.90109.9
325P35.3Very low29.4Very low117 Ų117168.9 Ų168.976%0.7682%0.817SS**  trans-91.7173.6-156.736.1-37.6000115.5
326K28.9Very low29.5Very low188 Ų188168.6 Ų168.682%0.81782%0.816SS**  trans-57.6140.6168-52.1175.2-178.9178.80110.9
327N30.8Very low29.5Very low140 Ų140164.9 Ų164.975%0.74981%0.813SS**  176.1155.9103-96.4-27.6000115.4
328K28.5Very low29.7Very low189 Ų189163.7 Ų163.782%0.82281%0.806SS**  trans61.9102.4155.7-70.3176.8179.5-176.40119.8
329A28.9Very low29.9Very low87 Ų87163.2 Ų163.272%0.71981%0.805SS**  60.9127.811700000121.9
330K27.8Very low29.8Very low204 Ų204164.3 Ų164.389%0.88781%0.805SS**  trans58.8137.3157-54.3-178.6-179.8-176.50114.9
331T31.1Very low29.9Very low128 Ų128166 Ų16679%0.78580%0.795SS**  cis-152.5-17842.1-63.70000110.6
332E30Very low29.9Very low158 Ų158162.6 Ų162.674%0.73879%0.788SS**  trans-67.6176.6-174.3-49.4162.98300117.2
333Q27.4Very low30.2Very low139 Ų139160.4 Ų160.465%0.6578%0.781SS**  trans77.1147.5156.4-63.3-165.826.200121
334K29.1Very low30.3Very low168 Ų168157 Ų15773%0.7378%0.778SS**  trans51.5104.5148.1-77.3168.4-179.7145.60116.7
335K28.7Very low30.7Very low203 Ų203154.8 Ų154.888%0.88378%0.775SS**  -169.8165.671.8-100.7164.5-176.9176.70113.1
336K34.2Very low30.8Very low189 Ų189155.5 Ų155.582%0.82278%0.779SS**  trans-70145.1168.1-57.2172.5-178.3174.60110.7
337S28.4Very low31.5Very low113 Ų113157.6 Ų157.679%0.7978%0.782SS**  trans-153.4123.3142.5-168.30000109.7
338S31.9Very low32.3Very low105 Ų105155.3 Ų155.373%0.73478%0.777SS**  trans-102.6127.3169.2-176.50000107.6
339R29.9Very low33.2Very low210 Ų210154.9 Ų154.979%0.79278%0.784SS**  trans-111.891.9-179-168.2179.2-64.9173.5-0110.2I341R339-I341 HydrophobicContact CG-CG1 4.32Å
340Y29.3Very low34.1Very low217 Ų217155.4 Ų155.485%0.85178%0.782SS**  trans-63146.6153.3-88.1-97.9000108.9
341I31.2Very low34.8Very low115 Ų115151 Ų15159%0.5978%0.776SS**  trans-119.4116.5168-64.6178.1000106.1R339 Y343R339-I341 HydrophobicContact CG-CG1 4.32Å; I341-Y343 HydrophobicContact CG2-CD2 4.23Å; I341-Y343 HydrophobicContact CG2-CE2 3.7Å
342A29.1Very low35.8Very low87 Ų87150.2 Ų150.272%0.71977%0.773SS**  trans-81.6147.2169.400000109.6
343Y35Very low36.3Very low208 Ų208149.2 Ų149.282%0.81677%0.773SS**  trans-121.495.9165.6-78.6-72.6000108.8I341I341-Y343 HydrophobicContact CG2-CD2 4.23Å; I341-Y343 HydrophobicContact CG2-CE2 3.7Å
344T33.3Very low37.3Very low132 Ų132149.4 Ų149.481%0.8178%0.777SS**PPolyproline II helixtrans-71.1134.9163.140.90000108.9
345L35.3Very low38.3Very low154 Ų154145.9 Ų145.981%0.80677%0.774SS**PPolyproline II helixtrans-77.5140.2163.2-82.375.8000108.3R347L345-R347 PolarHBondContact O-N 3.48Å
346P37.9Very low39.1Very low131 Ų131144 Ų14485%0.85177%0.77SS**PPolyproline II helixtrans-66.8129.6174.628-33.4000110.4
347R44Very low39.4Very low232 Ų232144.7 Ų144.788%0.87577%0.769SS**PPolyproline II helixtrans-88.2160.4165.2-81.7178.7162.8160.1-6.6110.1L345L345-R347 PolarHBondContact O-N 3.48Å
348S47.4Very low39.9Very low92 Ų92150.4 Ų150.464%0.64377%0.773SS**PPolyproline II helixtrans-66.8150.4175.251.80000112.3S350S348-S350 PolarHBondContact O-N 3.13Å; S348-S350 PolarHBondContact OG-OG 3.02Å
349N46.4Very low40.6Very low180 Ų180152.2 Ų152.296%0.96378%0.779SS**THydrogen-bonded Turntrans-73.341.1-172.6-62.1-9000114.7
350S48.8Very low41.1Very low99 Ų99150.9 Ų150.969%0.69278%0.782SS**THydrogen-bonded Turntrans-129.110.6-16952.30000115.4S348S348-S350 PolarHBondContact O-N 3.13Å; S348-S350 PolarHBondContact OG-OG 3.02Å
351C42Very low41.7Very low111 Ų111146.6 Ų146.675%0.7578%0.781SS**  trans-156130.8173.1-167.80000111.9
352P51.8Low42Very low111 Ų111145.7 Ų145.772%0.72179%0.791SS**  trans-82.3155.5173.833.9-34.4000112.7
353D42.2Very low42.6Very low138 Ų138147.4 Ų147.474%0.73879%0.794SS**  trans-104.7145.8178.5-167.7-0.8000111.3
354L46.9Very low42.6Very low143 Ų143145.5 Ų145.575%0.74980%0.796SS**  trans-119.723.4-164.9-97.1137.2000113.5M356L354-M356 PolarHBondContact O-N 3.41Å
355S51.6Low42.8Very low93 Ų93144 Ų14465%0.6579%0.789SS**G310 helixtrans-7214.7-176.352.60000116.3Y357S355-Y357 PolarHBondContact O-N 2.94Å; S355-Y357 VanDerWaalsContact O-N 3.1Å
356M44.3Very low42.6Very low164 Ų164142.7 Ų142.781%0.80879%0.793SS**G310 helixtrans-61.6-19.1-174.3-173.6174.6-75.900115.2L354L354-M356 PolarHBondContact O-N 3.41Å
357Y41.3Very low42.4Very low203 Ų203148 Ų14880%0.79680%0.796SS**G310 helixtrans-109.635.9-165.8-65.9-76.1000115.6S355S355-Y357 PolarHBondContact O-N 2.94Å; S355-Y357 VanDerWaalsContact O-N 3.1Å
358R38.9Very low42.1Very low234 Ų234146.6 Ų146.688%0.88380%0.796SS**  trans-127.1115.9175.1-130.9176.3-157166.99.2113.7
359V46.5Very low41.4Very low142 Ų142153.9 Ų153.986%0.86181%0.809SS**PPolyproline II helixtrans-96.7137.3178.8-178.50000110.1
360E40.2Very low40.8Very low182 Ų182148.6 Ų148.685%0.8579%0.791SS**PPolyproline II helixtrans-100.2133.1177-63.8-168.9149.800112.3
361P40.8Very low40.1Very low128 Ų128153.4 Ų153.483%0.83180%0.8SS**PPolyproline II helixtrans-83.5158174.532.7-33.9000113.8
362A38.9Very low39.6Very low96 Ų96153.4 Ų153.479%0.79380%0.801SS**PPolyproline II helixtrans-84.5158.1-162.800000116.5
363P40.3Very low38.9Very low122 Ų122154.6 Ų154.679%0.79281%0.806SS**PPolyproline II helixtrans-97.5144.8-170.536.7-35.7000116.3
364I35.5Very low38.5Very low168 Ų168153.4 Ų153.486%0.86281%0.807SS**PPolyproline II helixtrans-94.1138.9176.9-57.1175.3000111
365P38.6Very low37.8Very low102 Ų102151.3 Ų151.366%0.66281%0.81SS**PPolyproline II helixtrans-89.9157.1-175.435.1-36.1000115.1
366S31Very low36.9Very low125 Ų125154 Ų15487%0.87482%0.817SS**  trans-105.6157.9176570000113.7
367R32Very low36.3Very low242 Ų242155.3 Ų155.391%0.91382%0.824SS**  trans-109.5158.6-179.4-149178-166.8-164.55.4111.2
368K38.8Very low36Very low203 Ų203151.2 Ų151.288%0.88382%0.82SS**  trans-126.4152.5178.5-72.1-170.6174.6-171.10112.9
369R33.4Very low35.7Very low245 Ų245145.4 Ų145.493%0.92582%0.821SS**  trans-153.3164.2157.2-79.7-166.3-178.7-152.13107
370A33.1Very low35.1Very low69 Ų69143.7 Ų143.757%0.5782%0.822SS**  cis-165.7166.4-34.200000107.6
371F33.8Very low34.8Very low201 Ų201143.7 Ų143.788%0.88282%0.822SS**  trans61.292.4171-57.5-70.2000118.2
372S31.4Very low34.3Very low111 Ų111149 Ų14978%0.77683%0.826SS**  trans-127.1131.4145.657.20000106.9
373V37.1Very low33.9Very low136 Ų136153.8 Ų153.882%0.82483%0.832SS**  trans-122.9118.6173.6-179.30000108.2
374C33.2Very low33.7Very low113 Ų113153.1 Ų153.176%0.76484%0.836SS**PPolyproline II helixtrans-98.2142.8166.9-59.70000108.2
375A32.4Very low33.6Very low99 Ų99148.5 Ų148.582%0.81883%0.831SS**PPolyproline II helixtrans-80.3143.8166.400000110.3
376D33.3Very low33.2Very low149 Ų149152.2 Ų152.280%0.79784%0.841SS**PPolyproline II helixtrans-79.1124.1-170.1-85-53000114.4V378D376-V378 HydrophobicContact CB-CG2 4.15Å; D376-V378 PolarHBondContact O-N 3.48Å
377M31.4Very low33.3Very low191 Ų191152.9 Ų152.994%0.94184%0.84SS**  trans-81.682.4165.5-74.2-176.263.600111
378V35.5Very low33.5Very low118 Ų118150 Ų15072%0.71584%0.836SS**  trans-124.9-21.6177.7177.70000113.7D376D376-V378 HydrophobicContact CB-CG2 4.15Å; D376-V378 PolarHBondContact O-N 3.48Å
379A32.2Very low33.3Very low111 Ų111144.3 Ų144.392%0.91783%0.827SS**THydrogen-bonded Turntrans-80-17.4-171.300000115.9
380A33.5Very low33.6Very low106 Ų106140 Ų14088%0.87682%0.823SS**THydrogen-bonded Turntrans-109.424.7-164.800000115.1
381Q34.1Very low33.8Very low183 Ų183141 Ų14186%0.85583%0.825SS**  trans-123.764-179.7-162.2159.93.400113.4
382R31.7Very low34.4Very low239 Ų239139 Ų13990%0.90282%0.824SS**  trans-135.792.2159.2-75.5-173.8179.5172.80.6109.5
383E30.3Very low35.4Very low196 Ų196138.4 Ų138.492%0.91682%0.816SS**  trans173.7-174.4136-95.5165.7-155.900110.3
384A36Very low35.9Very low108 Ų108137.5 Ų137.589%0.89380%0.803SS**  trans-39.8157.7-172.100000116.5
385G32.1Very low36.7Very low72 Ų72138.6 Ų138.674%0.74280%0.8SS**  cis161.3148.58.900000108.4
386M31.7Very low37.7Very low179 Ų179139 Ų13988%0.88280%0.797SS**  trans-94.1117.9-161.4-176.9-174.471.700113.9
387V33.3Very low38.7Very low140 Ų140139 Ų13985%0.84879%0.789SS**  trans-140.2138.6165.1-175.50000110.4
388H35.2Very low39.6Very low180 Ų180136 Ų13683%0.83378%0.777SS**  trans-112.4124.3170.5-91.8-76.9000110.1
389A35.5Very low40.3Very low84 Ų84134.1 Ų134.169%0.69476%0.763SS**  160.5133.2128.600000114.2
390N39Very low41.5Very low155 Ų155138.7 Ų138.783%0.82976%0.756SS**  trans46109.2143.5-54.5-4.3000121.1
391S37.1Very low42.4Very low90 Ų90141.2 Ų141.263%0.62975%0.75SS**  -172.1153.9129.524.10000112.1T393S391-T393 WeakPolarHBondContact CB-OG1 3.45Å; S391-T393 PolarHBondContact O-N 2.92Å; S391-T393 PolarHBondContact OG-OG1 3.45Å; S391-T393 VanDerWaalsContact OG-OG1 3.12Å
392D46.4Very low43.3Very low159 Ų159139.6 Ų139.685%0.8574%0.74SS**THydrogen-bonded Turntrans-74.538.2176.2-65.5-69.7000113.4
393T52.8Low44.4Very low98 Ų98132.4 Ų132.460%0.60172%0.723SS**THydrogen-bonded Turntrans-1187.6-171.2430000114.1S391S391-T393 WeakPolarHBondContact CB-OG1 3.45Å; S391-T393 PolarHBondContact O-N 2.92Å; S391-T393 PolarHBondContact OG-OG1 3.45Å; S391-T393 VanDerWaalsContact OG-OG1 3.12Å
394E47Very low45.5Very low118 Ų118129 Ų12955%0.55171%0.705SS**  trans-99.2-4.3173.4-66.5-102.5115.600113.2S396 K397E394-S396 PolarHBondContact O-N 3.47Å; E394-K397 WeakPolarHBondContact O-CB 3.47Å; E394-K397 PolarHBondContact O-N 3.08Å; E394-K397 WeakPolarHBondContact OE1-CD 3.24Å; E394-K397 VanDerWaalsContact OE1-CE 3.29Å; E394-K397 WeakPolarHBondContact OE1-CE 3.33Å; E394-K397 IonicContact OE1-NZ 2.65Å; E394-K397 PolarHBondContact OE1-NZ 2.96Å
395L50.4Low46.3Very low135 Ų135130.5 Ų130.571%0.70769%0.694SS**THydrogen-bonded Turntrans-66.4-8.2-179.7-109.5164.9000114.3L398L395-L398 HydrophobicContact CD2-CD1 4.5Å
396S52.8Low47.3Very low107 Ų107133.2 Ų133.275%0.74870%0.696SS**THydrogen-bonded Turntrans-87-6.4170.151.80000114.2E394E394-S396 PolarHBondContact O-N 3.47Å
397K55.4Low48.3Very low149 Ų149128 Ų12865%0.64868%0.681SS**SBendtrans-99.7-1.4179.4-63-177.2179.21750114.1E394 D399E394-K397 WeakPolarHBondContact O-CB 3.47Å; E394-K397 PolarHBondContact O-N 3.08Å; E394-K397 WeakPolarHBondContact OE1-CD 3.24Å; E394-K397 VanDerWaalsContact OE1-CE 3.29Å; E394-K397 WeakPolarHBondContact OE1-CE 3.33Å; E394-K397 IonicContact OE1-NZ 2.65Å; E394-K397 PolarHBondContact OE1-NZ 2.96Å; K397-D399 PolarHBondContact O-N 2.79Å
398L49.9Very low49.3Very low128 Ų128127.8 Ų127.867%0.6767%0.671SS**SBendtrans-85.4106.4173.8-90.6167.4000110.5L395 R400L395-L398 HydrophobicContact CD2-CD1 4.5Å; L398-R400 PolarHBondContact O-N 3.01Å
399D49.7Very low50Low80 Ų80122.5 Ų122.543%0.42866%0.658SS.*  trans-67.3111.6179.8-168.25.6000111K397 E401 K402 T403K397-D399 PolarHBondContact O-N 2.79Å; D399-E401 PolarHBondContact O-N 3.42Å; D399-K402 IonicContact OD2-NZ 3.77Å; D399-K402 PolarHBondContact OD2-NZ 2.93Å; D399-T403 PolarHBondContact O-OG1 3.27Å
400R57.2Low50.8Low206 Ų206128 Ų12878%0.77766%0.663SS**SBendtrans-79.7-23.6-158.7-161.4175.5-177.9111.6-1.8113.5L398 F404L398-R400 PolarHBondContact O-N 3.01Å; R400-F404 WeakPolarHBondContact O-CD2 3.37Å
401E52.6Low51.3Low160 Ų160129.4 Ų129.475%0.74866%0.657SS**SBendtrans-79.3-49.3-174.2-62.5-179.8160.100111.2D399 T403 F404D399-E401 PolarHBondContact O-N 3.42Å; E401-T403 PolarHBondContact O-N 3.38Å; E401-F404 PolarHBondContact O-N 2.88Å
402K53Low51.9Low149 Ų149132.3 Ų132.365%0.64866%0.66SS**THydrogen-bonded Turntrans-60.8-11.5178.9-62.7-174.4-178.867.80115.1D399D399-K402 IonicContact OD2-NZ 3.77Å; D399-K402 PolarHBondContact OD2-NZ 2.93Å
403T54.1Low52.1Low87 Ų87129.1 Ų129.153%0.53465%0.647SS.*THydrogen-bonded Turntrans-86.8-14.8178.3-53.60000112.5D399 E401D399-T403 PolarHBondContact O-OG1 3.27Å; E401-T403 PolarHBondContact O-N 3.38Å
404F54.5Low52.2Low126 Ų126128.6 Ų128.655%0.55364%0.643SS**THydrogen-bonded Turntrans-131.30.3-168.4-69-72.2000116.8R400 E401 T406 A407R400-F404 WeakPolarHBondContact O-CD2 3.37Å; E401-F404 PolarHBondContact O-N 2.88Å; F404-T406 PolarHBondContact O-N 3.46Å; F404-A407 WeakPolarHBondContact O-CB 3.49Å; F404-A407 PolarHBondContact O-N 3.05Å
405E51.7Low52.4Low139 Ų139127.7 Ų127.765%0.6564%0.642SS**G310 helixtrans-50.9-35.8-178.8-70.5177.8102.900114.4A407 E408E405-A407 PolarHBondContact O-N 2.97Å; E405-E408 PolarHBondContact O-N 2.69Å
406T53.3Low52.5Low129 Ų129127 Ų12779%0.79164%0.639SS**G310 helixtrans-68-11.6178.538.30000114.6F404F404-T406 PolarHBondContact O-N 3.46Å
407A54.1Low52.3Low69 Ų69127.8 Ų127.857%0.5763%0.634SS**G310 helixtrans-81.5-22.9174.100000113.3F404 E405F404-A407 WeakPolarHBondContact O-CB 3.49Å; F404-A407 PolarHBondContact O-N 3.05Å; E405-A407 PolarHBondContact O-N 2.97Å
408E53Low52.5Low135 Ų135123.3 Ų123.363%0.63162%0.624SS**THydrogen-bonded Turntrans-87.5-30.3-174.8-57.2-148.812800112.9E405 Y410 R411E405-E408 PolarHBondContact O-N 2.69Å; E408-Y410 PolarHBondContact O-N 3.39Å; E408-Y410 VanDerWaalsContact O-N 3.15Å; E408-R411 WeakPolarHBondContact O-CB 3.43Å; E408-R411 PolarHBondContact O-N 3.49Å
409A51.4Low52.8Low69 Ų69124 Ų12457%0.5762%0.622SS**G310 helixtrans-56.5-31.9177.400000113.4R411A409-R411 VanDerWaalsContact C-N 3.26Å; A409-R411 PolarHBondContact O-N 3.2Å
410Y50.9Low53.1Low201 Ų201124.3 Ų124.379%0.78863%0.627SS**G310 helixtrans-75.1-8.3-179.6-123-88.3000114.5E408E408-Y410 PolarHBondContact O-N 3.39Å; E408-Y410 VanDerWaalsContact O-N 3.15Å
411R51Low53.4Low184 Ų184118.8 Ų118.869%0.69462%0.616SS**G310 helixtrans-87.8-21.3178.5-99.1177.2165.8159.2-4.7114.4E408 A409 T414E408-R411 WeakPolarHBondContact O-CB 3.43Å; E408-R411 PolarHBondContact O-N 3.49Å; A409-R411 VanDerWaalsContact C-N 3.26Å; A409-R411 PolarHBondContact O-N 3.2Å; R411-T414 PolarHBondContact O-OG1 3.42Å
412Q49.5Very low54Low150 Ų150116.8 Ų116.870%0.70161%0.61SS**Hα-helixtrans-85.6-22.7-172.1-66.4-174-4.800113.8
413T50.4Low53.9Low93 Ų93112.5 Ų112.557%0.57160%0.602SS**Hα-helixtrans-72.3-31.1-179.952.80000112.9
414T54.9Low53.6Low86 Ų86114.6 Ų114.653%0.52861%0.61SS.*Hα-helixtrans-70.5-37.8177.343.80000112.9R411 L416 L417 A418R411-T414 PolarHBondContact O-OG1 3.42Å; T414-L416 VanDerWaalsContact C-N 3.33Å; T414-L416 PolarHBondContact O-N 3.43Å; T414-L417 PolarHBondContact O-N 3.41Å; T414-A418 PolarHBondContact O-N 3.01Å
415D50.2Low53.6Low99 Ų99112.5 Ų112.553%0.52962%0.615SS.*Hα-helixtrans-71.2-27.2-176.9-79.118000113.2K419D415-K419 WeakPolarHBondContact O-CG 3.32Å; D415-K419 PolarHBondContact O-N 2.89Å
416L52.1Low53.7Low121 Ų121111.2 Ų111.263%0.63462%0.617SS**Hα-helixtrans-69.1-44.6173.4-103.7164.6000111.5T414 A418 K419 V420T414-L416 VanDerWaalsContact C-N 3.33Å; T414-L416 PolarHBondContact O-N 3.43Å; L416-A418 VanDerWaalsContact C-N 3.34Å; L416-A418 PolarHBondContact O-N 3.49Å; L416-K419 PolarHBondContact O-N 2.87Å; L416-V420 PolarHBondContact O-N 2.88Å
417L50.3Low53.3Low123 Ų123110.8 Ų110.864%0.64461%0.614SS**Hα-helixtrans-65.3-38.5-179.9-166.2145.7000111.5T414 K419 V421T414-L417 PolarHBondContact O-N 3.41Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 3.09Å; L417-V421 HydrophobicContact CD2-CG2 4.47Å; L417-V421 WeakPolarHBondContact O-CG2 3.35Å; L417-V421 PolarHBondContact O-N 3.28Å
418A59.4Low53Low55 Ų55116.7 Ų116.746%0.45563%0.627SS.*Hα-helixtrans-61.4-35.1173.500000113.4T414 L416 N422T414-A418 PolarHBondContact O-N 3.01Å; L416-A418 VanDerWaalsContact C-N 3.34Å; L416-A418 PolarHBondContact O-N 3.49Å; A418-N422 PolarHBondContact O-N 3.5Å
419K55.1Low52.9Low143 Ų143115.2 Ų115.262%0.62263%0.629SS**Hα-helixtrans-75.3-38-179.6-74.4171.1-177.51720113.2D415 L416 L417 N422 A423D415-K419 WeakPolarHBondContact O-CG 3.32Å; D415-K419 PolarHBondContact O-N 2.89Å; L416-K419 PolarHBondContact O-N 2.87Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 3.09Å; K419-N422 PolarHBondContact O-N 3.1Å; K419-A423 PolarHBondContact O-N 3.19Å
420V56.8Low52.6Low86 Ų86117.6 Ų117.652%0.52164%0.639SS.*Hα-helixtrans-64.5-41.5175.91760000111.2L416 A423 L424L416-V420 PolarHBondContact O-N 2.88Å; V420-A423 PolarHBondContact O-N 3.13Å; V420-L424 HydrophobicContact CG1-CD1 4.48Å; V420-L424 PolarHBondContact O-N 3.48Å
421V62.3Low52.4Low90 Ų90113 Ų11355%0.54563%0.634SS.*Hα-helixtrans-64.3-40.8176.7174.10000111.6L417 A423 A425L417-V421 HydrophobicContact CD2-CG2 4.47Å; L417-V421 WeakPolarHBondContact O-CG2 3.35Å; L417-V421 PolarHBondContact O-N 3.28Å; V421-A423 VanDerWaalsContact C-N 3.35Å; V421-A423 PolarHBondContact O-N 3.13Å; V421-A425 PolarHBondContact O-N 3.32Å
422N65Low51.9Low119 Ų119109.4 Ų109.464%0.63664%0.643SS**Hα-helixtrans-64.9-34174.4-94.4-2.6000113.4A418 K419 A425 T426A418-N422 PolarHBondContact O-N 3.5Å; K419-N422 PolarHBondContact O-N 3.1Å; N422-A425 PolarHBondContact O-N 3.5Å; N422-T426 WeakPolarHBondContact O-CG2 3.49Å
423A50.9Low51.3Low58 Ų58110.5 Ų110.548%0.47965%0.648SS.*Hα-helixtrans-66.3-47.9177.100000111.6K419 V420 V421 A425 T426K419-A423 PolarHBondContact O-N 3.19Å; V420-A423 PolarHBondContact O-N 3.13Å; V421-A423 VanDerWaalsContact C-N 3.35Å; V421-A423 PolarHBondContact O-N 3.13Å; A423-A425 PolarHBondContact O-N 3.29Å; A423-T426 PolarHBondContact O-N 2.77Å; A423-T426 VanDerWaalsContact O-N 3.08Å; A423-T426 PolarHBondContact O-OG1 3.06Å
424L48.8Very low50.8Low132 Ų132113.9 Ų113.969%0.69166%0.658SS**Hα-helixtrans-59-31.6177.3-89.9159000113.1V420 T426V420-L424 HydrophobicContact CG1-CD1 4.48Å; V420-L424 PolarHBondContact O-N 3.48Å; L424-T426 PolarHBondContact O-N 2.87Å
425A54.4Low50Low81 Ų81117.6 Ų117.667%0.66967%0.669SS**THydrogen-bonded Turntrans-73.1-3.6177.900000114.9V421 N422 A423V421-A425 PolarHBondContact O-N 3.32Å; N422-A425 PolarHBondContact O-N 3.5Å; A423-A425 PolarHBondContact O-N 3.29Å
426T53.8Low49.3Very low113 Ų113119.9 Ų119.969%0.69368%0.681SS**THydrogen-bonded Turntrans-105.6-6-176.761.30000115.2N422 A423 L424 K428N422-T426 WeakPolarHBondContact O-CG2 3.49Å; A423-T426 PolarHBondContact O-N 2.77Å; A423-T426 VanDerWaalsContact O-N 3.08Å; A423-T426 PolarHBondContact O-OG1 3.06Å; L424-T426 PolarHBondContact O-N 2.87Å; T426-K428 PolarHBondContact O-N 3.23Å
427V44.9Very low49.1Very low119 Ų119119.6 Ų119.672%0.72170%0.696SS**  trans-76.8108.8173.4-178.30000109.1
428K47.7Very low48.9Very low194 Ų194117.6 Ų117.684%0.84370%0.697SS**PPolyproline II helixtrans-86.4123179-163.5-177.7-175.8-172.60109.3T426T426-K428 PolarHBondContact O-N 3.23Å
429P50Low48.5Very low104 Ų104122.8 Ų122.868%0.67572%0.717SS**PPolyproline II helixtrans-65.3151.7170.128.5-33.9000110.4
430P45.9Very low47.9Very low119 Ų119127.4 Ų127.477%0.77373%0.732SS**PPolyproline II helixtrans-64.2157.2174.428.4-34.6000111.5
431P45.9Very low47.4Very low105 Ų105126.9 Ų126.968%0.68274%0.743SS**PPolyproline II helixtrans-67.3155.217530.9-35.4000111.4E433P431-E433 PolarHBondContact O-N 3.17Å
432A42.3Very low46.5Very low108 Ų108124.2 Ų124.289%0.89373%0.734SS**  trans-81.3101.6172.100000110
433E36.3Very low45.6Very low173 Ų173128.2 Ų128.281%0.80874%0.742SS**  trans-91.6172.5158.8-67.8-178.7174.900109.3P431P431-E433 PolarHBondContact O-N 3.17Å
434Q39.6Very low45.3Very low164 Ų164133 Ų13377%0.76675%0.754SS**  trans-81.6152.9-161.8-68.6153.6-115.400114.3
435E38.6Very low45.7Very low163 Ų163130 Ų13076%0.76276%0.755SS**  trans63.2135.4164.6-66.6134.1-129.100114.3
436D35Very low45.5Very low148 Ų148132.2 Ų132.279%0.79175%0.75SS**  cis-138.3155.527.6-88.4-53.1000114.1A438D436-A438 VanDerWaalsContact C-N 3.33Å; D436-A438 PolarHBondContact O-N 3.05Å
437A47.4Very low45.7Very low114 Ų114129.4 Ų129.494%0.94274%0.735SS**SBendtrans-88.249.3176.700000113.6
438A47.6Very low46Very low81 Ų81129.1 Ų129.167%0.66973%0.729SS**  trans-148.913.2-169.100000119.4D436D436-A438 VanDerWaalsContact C-N 3.33Å; D436-A438 PolarHBondContact O-N 3.05Å
439L50.2Low46.3Very low165 Ų165124 Ų12486%0.86472%0.717SS**SBendtrans-15469179.2-146.675.5000118.5
440Y41.9Very low46.6Very low240 Ų240124 Ų12494%0.94171%0.709SS**  trans-168.6122.4136.9-125.6-95.2000110
441G46.3Very low47.1Very low74 Ų74121.9 Ų121.976%0.76369%0.69SS**PPolyproline II helixtrans-84.5120.6-174.500000113.4
442G43.4Very low47.5Very low34 Ų34122.2 Ų122.235%0.35169%0.686SS.*PPolyproline II helixtrans-64.4150.2163.900000111.5H444 G445G442-H444 PolarHBondContact O-N 3.29Å; G442-G445 PolarHBondContact O-N 3.3Å
443Y46.2Very low48.2Very low203 Ų203120.2 Ų120.280%0.79667%0.669SS**G310 helixtrans-64.4127.3-177.9-150.4-99.4000109.9G445Y443-G445 VanDerWaalsContact C-N 3.3Å; Y443-G445 PolarHBondContact O-N 2.96Å
444H45.4Very low49.1Very low158 Ų158115.4 Ų115.473%0.73165%0.654SS**G310 helixtrans62.618.8-168.2-60.6-67.8000117.1G442 F446G442-H444 PolarHBondContact O-N 3.29Å; H444-F446 WeakPolarHBondContact O-CD2 3.25Å; H444-F446 PolarHBondContact O-N 2.66Å; H444-F446 VanDerWaalsContact O-N 3.14Å
445G56.9Low49.7Very low70 Ų70114.5 Ų114.572%0.72265%0.65SS**G310 helixtrans75.22.116300000116.5G442 Y443G442-G445 PolarHBondContact O-N 3.3Å; Y443-G445 VanDerWaalsContact C-N 3.3Å; Y443-G445 PolarHBondContact O-N 2.96Å
446F50.2Low49.9Very low128 Ų128118.3 Ų118.356%0.56166%0.658SS**  trans-88154.6164.7-65.5-79.2000110.4H444 I451H444-F446 WeakPolarHBondContact O-CD2 3.25Å; H444-F446 PolarHBondContact O-N 2.66Å; H444-F446 VanDerWaalsContact O-N 3.14Å; F446-I451 HydrophobicContact CB-CG1 4.38Å
447S57.3Low50.2Low53 Ų53114.8 Ų114.837%0.37165%0.645SS.*  trans-83.2148172.459.70000111.4S449 Q450 I451S447-S449 PolarHBondContact O-N 3.12Å; S447-S449 PolarHBondContact OG-OG 3.42Å; S447-Q450 WeakPolarHBondContact O-CA 3.35Å; S447-Q450 WeakPolarHBondContact O-CB 3.39Å; S447-Q450 PolarHBondContact O-N 3.37Å; S447-Q450 WeakPolarHBondContact OG-CG 3.17Å; S447-Q450 PolarHBondContact OG-OE1 3.37Å; S447-I451 PolarHBondContact O-N 3.1Å; S447-I451 VanDerWaalsContact O-N 3.17Å
448D50.9Low49.3Very low114 Ų114118.6 Ų118.661%0.6164%0.64SS**Hα-helixtrans-55.5-29.1-179.7-67.8-12.7000113I451 L452D448-I451 PolarHBondContact O-N 3.24Å; D448-L452 WeakPolarHBondContact O-CB 3.2Å; D448-L452 VanDerWaalsContact O-CG 3.3Å; D448-L452 WeakPolarHBondContact O-CG 3.37Å; D448-L452 PolarHBondContact O-N 3.36Å
449S54.7Low48.6Very low85 Ų85120.6 Ų120.659%0.59465%0.649SS**Hα-helixtrans-69.8-30.517559.20000113.4S447 A453S447-S449 PolarHBondContact O-N 3.12Å; S447-S449 PolarHBondContact OG-OG 3.42Å; S449-A453 VanDerWaalsContact O-CB 3.25Å; S449-A453 WeakPolarHBondContact O-CB 3.39Å; S449-A453 PolarHBondContact O-N 3.39Å
450Q56Low47.6Very low105 Ų105118.3 Ų118.349%0.49164%0.643SS.*Hα-helixtrans-74.7-38.2172.1-69.2167.1-6300111.5S447 A453 S454S447-Q450 WeakPolarHBondContact O-CA 3.35Å; S447-Q450 WeakPolarHBondContact O-CB 3.39Å; S447-Q450 PolarHBondContact O-N 3.37Å; S447-Q450 WeakPolarHBondContact OG-CG 3.17Å; S447-Q450 PolarHBondContact OG-OE1 3.37Å; Q450-A453 PolarHBondContact O-N 3.08Å; Q450-S454 PolarHBondContact O-N 3.18Å; Q450-S454 VanDerWaalsContact O-N 3.1Å
451I56.3Low47.1Very low74 Ų74112.9 Ų112.938%0.37963%0.634SS.*Hα-helixtrans-60-54174.6-60.2175.3000109.1F446 S447 D448 A453 S454F446-I451 HydrophobicContact CB-CG1 4.38Å; S447-I451 PolarHBondContact O-N 3.1Å; S447-I451 VanDerWaalsContact O-N 3.17Å; D448-I451 PolarHBondContact O-N 3.24Å; I451-A453 VanDerWaalsContact C-N 3.29Å; I451-A453 PolarHBondContact O-N 3.41Å; I451-S454 PolarHBondContact O-N 2.86Å; I451-S454 VanDerWaalsContact O-N 3.12Å; I451-S454 PolarHBondContact O-OG 3.35Å
452L55.7Low46.4Very low113 Ų113115.4 Ų115.459%0.59263%0.63SS**Hα-helixtrans-62-30.6176.6-69.3168.9000113.8D448D448-L452 WeakPolarHBondContact O-CB 3.2Å; D448-L452 VanDerWaalsContact O-CG 3.3Å; D448-L452 WeakPolarHBondContact O-CG 3.37Å; D448-L452 PolarHBondContact O-N 3.36Å
453A55.5Low45.7Very low65 Ų65120.9 Ų120.954%0.53765%0.646SS.*Hα-helixtrans-69.6-32.6175.500000113S449 Q450 I451S449-A453 VanDerWaalsContact O-CB 3.25Å; S449-A453 WeakPolarHBondContact O-CB 3.39Å; S449-A453 PolarHBondContact O-N 3.39Å; Q450-A453 PolarHBondContact O-N 3.08Å; I451-A453 VanDerWaalsContact C-N 3.29Å; I451-A453 PolarHBondContact O-N 3.41Å
454S55.3Low45Very low73 Ų73119 Ų11951%0.5164%0.643SS.*Hα-helixtrans-69.1-33.2179.770.30000113.6Q450 I451 W456 S457Q450-S454 PolarHBondContact O-N 3.18Å; Q450-S454 VanDerWaalsContact O-N 3.1Å; I451-S454 PolarHBondContact O-N 2.86Å; I451-S454 VanDerWaalsContact O-N 3.12Å; I451-S454 PolarHBondContact O-OG 3.35Å; S454-W456 PolarHBondContact O-N 3.26Å; S454-S457 PolarHBondContact O-N 2.96Å; S454-S457 PolarHBondContact O-OG 3.2Å
455E52.4Low44.2Very low144 Ų144117.6 Ų117.667%0.67365%0.645SS**THydrogen-bonded Turntrans-67.5-16.9-178.5-64.6-165.5149.800114.1
456W44Very low42.9Very low243 Ų243119.4 Ų119.492%0.9265%0.647SS**THydrogen-bonded Turntrans-1069.8-175-77.712.6000114.5S454S454-W456 PolarHBondContact O-N 3.26Å
457S40.1Very low42.5Very low74 Ų74118.2 Ų118.252%0.51765%0.652SS.*SBendtrans-114.1128.4176.863.90000113.3S454S454-S457 PolarHBondContact O-N 2.96Å; S454-S457 PolarHBondContact O-OG 3.2Å
458F29.9Very low41.1Very low194 Ų194127.3 Ų127.385%0.85168%0.679SS**  trans74.2122.6178.4-67.9-84.7000119.6
459S32Very low40.7Very low123 Ų123133.4 Ų133.486%0.8669%0.693SS**  -154.1114.9123.542.80000111.5
460T29.6Very low39.5Very low118 Ų118135.5 Ų135.572%0.72470%0.704SS**  trans-137.2143.316248.40000107.8
461V31.2Very low38.2Very low126 Ų126142.7 Ų142.776%0.76473%0.727SS**SBendtrans85.5120177.5-170.50000115.9
462N31.2Very low37.5Very low127 Ų127143.6 Ų143.668%0.67975%0.746SS**  trans60115.6158.9-68.325.1000120
463E28.7Very low36.4Very low148 Ų148150.2 Ų150.269%0.69276%0.763SS**  76.9139.293.9-72.1-173.8146.100114.1
464F31Very low35.2Very low164 Ų164151 Ų15172%0.71977%0.77SS**  cis-150.9169.714-128.6-66.3000111.2
465T29.5Very low34.2Very low128 Ų128153.6 Ų153.679%0.78579%0.786SS**  trans64.4117.715952.80000121.2
466S29.8Very low33.4Very low108 Ų108150.9 Ų150.976%0.75578%0.783SS**  trans-89.8-178.6146.470.40000109
467P42.5Very low33.1Very low104 Ų104146.3 Ų146.368%0.67578%0.777SS**  cis-145.6163.910.840.5-21000118.4
468R27.8Very low32.8Very low244 Ų244151.2 Ų151.292%0.92179%0.789SS**  168.1161.2122.4-94.4170.7174.2-176.5-0.9114.1
469R41.2Very low32.9Very low242 Ų242148.8 Ų148.891%0.91379%0.785SS**  trans-103.5146.6169.4-59.5178.9179.8-176.5-0.9111.4
470P30.3Very low32.8Very low128 Ų128149.1 Ų149.183%0.83178%0.776SS**  trans-96.3179.6151.334.8-28.9000112.3
471R29.3Very low32.8Very low256 Ų256152.1 Ų152.197%0.96678%0.782SS**  trans-146.1149.1-172.5-145.4-179.6-163.5163.83.2112.4
472A40.9Very low33.1Very low94 Ų94150.1 Ų150.178%0.77778%0.779SS**  trans-61.7164.7-166.100000119.8
473R32.4Very low33.7Very low251 Ų251149.3 Ų149.395%0.94778%0.781SS**  trans-174.5172.5157.9-94.9158.8-166.7-152.64.2109.1
474A30.1Very low33.7Very low83 Ų83152.6 Ų152.669%0.68679%0.787SS**  -177.8151.1-54.100000110.8
475C33.5Very low33.7Very low126 Ų126155.3 Ų155.385%0.85179%0.792SS**  trans69.8168.3164.3-60.60000118.8
476S35.6Very low33.6Very low88 Ų88156.6 Ų156.662%0.61579%0.79SS**  cis177.7139.5-4459.20000112.4
477D38.9Very low33.7Very low147 Ų147156.3 Ų156.379%0.78679%0.787SS**  trans61.1152.1143.1-51.7-18.8000122.6
478F34.2Very low33.2Very low177 Ų177158.1 Ų158.178%0.77679%0.787SS**  cis-171.1149.7-29.4-145.5-84.5000111.3
479N30.4Very low33.4Very low142 Ų142156.4 Ų156.476%0.75978%0.78SS**  trans172.2141.9157.9-94.3-9.9000110.3
480L30.5Very low33.3Very low130 Ų130149.9 Ų149.968%0.68177%0.769SS**  cis84.7132.836.9-68.1170.1000114.1
481E30.1Very low33.2Very low182 Ų182151 Ų15185%0.8577%0.767SS**  cis-152.3-175.55.3-156.2163.5-154.500112.7
482A38.2Very low33.2Very low84 Ų84149.6 Ų149.669%0.69476%0.762SS**  trans-144.7178.6-16600000115.7
483P43.6Very low32.7Very low110 Ų110150.2 Ų150.271%0.71476%0.761SS**  trans-122.8171.2143.927.5-10000111.3
484R29Very low32.6Very low217 Ų217143.7 Ų143.782%0.81975%0.754SS**  cis-167.4178.3-20.8-99.5168.1-168.7168.43.8104.8
485W30.4Very low33Very low220 Ų220148.2 Ų148.283%0.83376%0.76SS**  cis-158.1-162.412.8-139.3159.8000109.9
486Q28.1Very low33.1Very low156 Ų156148.5 Ų148.573%0.72975%0.753SS**  trans43.699.5157.7-72.8-175.3-10.700121.8
487S31.7Very low33Very low101 Ų101151.2 Ų151.271%0.70676%0.756SS**  34.2139.8115.852.30000121.8
488E30.4Very low32.9Very low143 Ų143154.6 Ų154.667%0.66876%0.758SS**  cis-166.1138.14.3-114.8-163.1150.400115
489R33.7Very low33.1Very low208 Ų208150.6 Ų150.679%0.78575%0.748SS**  trans62.6-176.6149-46-166.2-159.5-136.91.9120.2
490P37.5Very low33.6Very low104 Ų104156.3 Ų156.368%0.67576%0.759SS**  -141.9170-84.645.6-28.7000119.7
491L30.1Very low34.3Very low152 Ų152155.5 Ų155.580%0.79677%0.765SS**  trans68.6149.2162.2-93.467.1000118.1
492R29.1Very low34.7Very low226 Ų226149.1 Ų149.185%0.85375%0.748SS**  cis-149.315714.4-146.9177-161.1-173.35.5112.7
493S29.8Very low35.2Very low107 Ų107151.6 Ų151.675%0.74875%0.749SS**  trans-78.5161.317343.20000113.1
494S29.6Very low35.7Very low114 Ų114152.4 Ų152.480%0.79775%0.748SS**  cis96.315326-155.50000116.3
495H39.3Very low36.9Very low179 Ų179149.4 Ų149.483%0.82974%0.743SS**  trans-81.7169.9-162-77.8-99.3000116.3
496N36.1Very low38.1Very low132 Ų132146 Ų14671%0.70674%0.737SS**  trans-168.1157.4146.9-10617.5000108.3
497E32.8Very low39.3Very low145 Ų145142.4 Ų142.468%0.67872%0.721SS**  cis-161.3140.7-13.1-130.5165.3-150.300107.2
498W37.1Very low40.5Very low218 Ų218143.8 Ų143.883%0.82672%0.717SS**  trans-92.8108179-106.244.3000111.7I507W498-I507 HydrophobicContact CH2-CD1 4.26Å; W498-I507 HydrophobicContact CH2-CG1 4.3Å; W498-I507 HydrophobicContact CZ2-CD1 4.35Å; W498-I507 HydrophobicContact CZ2-CG1 4.06Å
499T38.9Very low41.8Very low92 Ų92142.6 Ų142.656%0.56471%0.711SS**  trans-116.7146171.651.90000111.3S501 G502T499-S501 PolarHBondContact O-N 2.87Å; T499-G502 PolarHBondContact O-N 2.87Å
500W39.4Very low43Very low262 Ų262134.7 Ų134.799%0.99269%0.69SS**THydrogen-bonded Turntrans-74.736.5-175.6-87.862.8000114.3
501S46.1Very low44Very low114 Ų114136.7 Ų136.780%0.79769%0.688SS**THydrogen-bonded Turntrans-147.918.5175.157.80000113T499T499-S501 PolarHBondContact O-N 2.87Å
502G38.9Very low45.6Very low48 Ų48134 Ų13450%0.49568%0.675SS.*SBendtrans-94.3168.7175.500000114.1T499T499-G502 PolarHBondContact O-N 2.87Å
503D47.1Very low47Very low136 Ų136129.7 Ų129.773%0.72766%0.664SS**  trans-69129.8-165.8-73.6-63.8000115.9Q505D503-Q505 PolarHBondContact O-N 3.22Å; D503-Q505 VanDerWaalsContact O-N 3.11Å
504N54.6Low48Very low127 Ų127133.9 Ų133.968%0.67966%0.663SS**Hα-helixtrans-60.5-21.9178.1-69.4-71.5000114.2I507 Q508N504-I507 PolarHBondContact O-N 3.43Å; N504-Q508 PolarHBondContact O-N 3.26Å; N504-Q508 VanDerWaalsContact O-N 3.09Å
505Q55.4Low48.8Very low154 Ų154135.5 Ų135.572%0.7265%0.653SS**Hα-helixtrans-64.9-46.6-174-70.3-175-16.100112.4D503 I507 Q508 E509D503-Q505 PolarHBondContact O-N 3.22Å; D503-Q505 VanDerWaalsContact O-N 3.11Å; Q505-I507 VanDerWaalsContact C-N 3.31Å; Q505-I507 PolarHBondContact O-N 3.38Å; Q505-Q508 PolarHBondContact O-N 3.38Å; Q505-Q508 VanDerWaalsContact O-N 3.17Å; Q505-E509 WeakPolarHBondContact O-CG 3.36Å; Q505-E509 PolarHBondContact O-N 3.19Å
506Q53.8Low49.3Very low149 Ų149134.3 Ų134.370%0.69665%0.646SS**Hα-helixtrans-62.9-36.8177.9-79.3-171.6-18.800112.7Q508 E509 A510Q506-Q508 VanDerWaalsContact C-N 3.32Å; Q506-Q508 PolarHBondContact O-N 3.28Å; Q506-E509 PolarHBondContact O-N 3.14Å; Q506-A510 WeakPolarHBondContact O-CB 3.28Å; Q506-A510 PolarHBondContact O-N 2.95Å
507I53.6Low49.7Very low79 Ų79129.9 Ų129.941%0.40563%0.632SS.*Hα-helixtrans-64.6-41.2177-59177.5000110.1W498 N504 Q505 A510 F511W498-I507 HydrophobicContact CH2-CD1 4.26Å; W498-I507 HydrophobicContact CH2-CG1 4.3Å; W498-I507 HydrophobicContact CZ2-CD1 4.35Å; W498-I507 HydrophobicContact CZ2-CG1 4.06Å; N504-I507 PolarHBondContact O-N 3.43Å; Q505-I507 VanDerWaalsContact C-N 3.31Å; Q505-I507 PolarHBondContact O-N 3.38Å; I507-A510 PolarHBondContact O-N 3.4Å; I507-F511 PolarHBondContact O-N 3.43Å
508Q56.8Low50.4Low131 Ų131129.5 Ų129.561%0.61263%0.63SS**Hα-helixtrans-73.9-33.5-180-161.9148.86.900112.6N504 Q505 Q506 F511 N512N504-Q508 PolarHBondContact O-N 3.26Å; N504-Q508 VanDerWaalsContact O-N 3.09Å; Q505-Q508 PolarHBondContact O-N 3.38Å; Q505-Q508 VanDerWaalsContact O-N 3.17Å; Q506-Q508 VanDerWaalsContact C-N 3.32Å; Q506-Q508 PolarHBondContact O-N 3.28Å; Q508-F511 PolarHBondContact O-N 3.32Å; Q508-N512 WeakPolarHBondContact O-CB 3.49Å; Q508-N512 VanDerWaalsContact O-CG 3.3Å; Q508-N512 PolarHBondContact O-N 3.02Å; Q508-N512 PolarHBondContact O-ND2 3.46Å
509E57.9Low50.8Low118 Ų118125.6 Ų125.655%0.55162%0.621SS**Hα-helixtrans-65-45.2168.7-72.1-170.115100112.2Q505 Q506 F511 N512 Q513Q505-E509 WeakPolarHBondContact O-CG 3.36Å; Q505-E509 PolarHBondContact O-N 3.19Å; Q506-E509 PolarHBondContact O-N 3.14Å; E509-F511 VanDerWaalsContact C-N 3.27Å; E509-F511 PolarHBondContact O-N 3.21Å; E509-N512 PolarHBondContact O-N 3.01Å; E509-Q513 WeakPolarHBondContact O-CG 3.31Å; E509-Q513 PolarHBondContact O-N 3.14Å
510A59.2Low51Low41 Ų41131.1 Ų131.134%0.33963%0.631SS.*Hα-helixtrans-60.4-36.4175.800000112.3Q506 I507 Q513 R514Q506-A510 WeakPolarHBondContact O-CB 3.28Å; Q506-A510 PolarHBondContact O-N 2.95Å; I507-A510 PolarHBondContact O-N 3.4Å; A510-Q513 PolarHBondContact O-N 2.94Å; A510-R514 WeakPolarHBondContact O-CG 3.28Å; A510-R514 PolarHBondContact O-N 3.32Å; A510-R514 VanDerWaalsContact O-N 3.12Å
511F57.5Low51.2Low147 Ų147121.8 Ų121.865%0.64561%0.61SS**Hα-helixtrans-67.8-44.4174.5-146.6-83.3000111.9I507 Q508 E509 Q513 R514 Y515I507-F511 PolarHBondContact O-N 3.43Å; Q508-F511 PolarHBondContact O-N 3.32Å; E509-F511 VanDerWaalsContact C-N 3.27Å; E509-F511 PolarHBondContact O-N 3.21Å; F511-Q513 VanDerWaalsContact C-N 3.3Å; F511-Q513 PolarHBondContact O-N 3.46Å; F511-R514 PolarHBondContact O-N 3.05Å; F511-Y515 PolarHBondContact O-N 3.45Å
512N63.8Low51Low95 Ų95123.3 Ų123.351%0.50861%0.609SS.*Hα-helixtrans-62.7-34.6174.9-75.3-31000112.7Q508 E509 K516Q508-N512 WeakPolarHBondContact O-CB 3.49Å; Q508-N512 VanDerWaalsContact O-CG 3.3Å; Q508-N512 PolarHBondContact O-N 3.02Å; Q508-N512 PolarHBondContact O-ND2 3.46Å; E509-N512 PolarHBondContact O-N 3.01Å; N512-K516 WeakPolarHBondContact O-CG 3.5Å; N512-K516 PolarHBondContact O-N 3.3Å
513Q59.2Low51Low135 Ų135124.1 Ų124.163%0.63162%0.617SS**Hα-helixtrans-67.8-43.6175.1-72.8176.622.800111.8E509 A510 F511 Y515 K516 G517E509-Q513 WeakPolarHBondContact O-CG 3.31Å; E509-Q513 PolarHBondContact O-N 3.14Å; A510-Q513 PolarHBondContact O-N 2.94Å; F511-Q513 VanDerWaalsContact C-N 3.3Å; F511-Q513 PolarHBondContact O-N 3.46Å; Q513-Y515 VanDerWaalsContact C-N 3.34Å; Q513-Y515 PolarHBondContact O-N 3.06Å; Q513-K516 PolarHBondContact O-N 3.12Å; Q513-G517 PolarHBondContact O-N 2.85Å
514R50.3Low50.5Low195 Ų195121.5 Ų121.574%0.73661%0.614SS**Hα-helixtrans-59.7-43.9173.5-69.1-179.5-163.5-137.13.9111.8A510 F511 K516 G517 Q518A510-R514 WeakPolarHBondContact O-CG 3.28Å; A510-R514 PolarHBondContact O-N 3.32Å; A510-R514 VanDerWaalsContact O-N 3.12Å; F511-R514 PolarHBondContact O-N 3.05Å; R514-K516 PolarHBondContact O-N 3.41Å; R514-G517 PolarHBondContact O-N 3.48Å; R514-G517 VanDerWaalsContact O-N 3.14Å; R514-Q518 PolarHBondContact O-N 3.18Å
515Y47.7Very low49.6Very low148 Ų148119.4 Ų119.458%0.5862%0.615SS**Hα-helixtrans-63.5-39.7178.7-154.4-95.1000112.6F511 Q513 Q518 Q519F511-Y515 PolarHBondContact O-N 3.45Å; Q513-Y515 VanDerWaalsContact C-N 3.34Å; Q513-Y515 PolarHBondContact O-N 3.06Å; Y515-Q518 PolarHBondContact O-N 3.02Å; Y515-Q519 PolarHBondContact O-N 3.02Å
516K48.3Very low48.6Very low154 Ų154120 Ų12067%0.6762%0.623SS**Hα-helixtrans-66.9-33.4172.1-77.4-179.3175.8179.40113.3N512 Q513 R514N512-K516 WeakPolarHBondContact O-CG 3.5Å; N512-K516 PolarHBondContact O-N 3.3Å; Q513-K516 PolarHBondContact O-N 3.12Å; R514-K516 PolarHBondContact O-N 3.41Å
517G46Very low47.4Very low40 Ų40117.7 Ų117.741%0.41262%0.623SS.*Hα-helixtrans-64.4-45.5173.700000112.2Q513 R514 Q519 R520 A521Q513-G517 PolarHBondContact O-N 2.85Å; R514-G517 PolarHBondContact O-N 3.48Å; R514-G517 VanDerWaalsContact O-N 3.14Å; G517-Q519 VanDerWaalsContact C-N 3.33Å; G517-Q519 PolarHBondContact O-N 3.47Å; G517-R520 PolarHBondContact O-N 3.34Å; G517-A521 PolarHBondContact O-N 3.44Å
518Q47.1Very low46.3Very low137 Ų137120.4 Ų120.464%0.6464%0.644SS**Hα-helixtrans-67-31-175.9-155.8165.914.700113.2R514 Y515R514-Q518 PolarHBondContact O-N 3.18Å; Y515-Q518 PolarHBondContact O-N 3.02Å
519Q44.4Very low44.9Very low136 Ų136123.4 Ų123.464%0.63666%0.66SS**Hα-helixtrans-70.7-26.7171-72.4-171.2-21.500113.8Y515 G517Y515-Q519 PolarHBondContact O-N 3.02Å; G517-Q519 VanDerWaalsContact C-N 3.33Å; G517-Q519 PolarHBondContact O-N 3.47Å
520R43.9Very low43.6Very low208 Ų208122.8 Ų122.879%0.78566%0.664SS**Hα-helixtrans-76.3-33175.9-76.3-178.7167.1-177.3-5.7112.7G517 G523G517-R520 PolarHBondContact O-N 3.34Å; R520-G523 PolarHBondContact O-N 3.2Å
521A44Very low42Very low66 Ų66128.9 Ų128.955%0.54569%0.685SS.*Hα-helixtrans-61.8-46176.500000112.3G517 G523 A524G517-A521 PolarHBondContact O-N 3.44Å; A521-G523 PolarHBondContact O-N 3.09Å; A521-A524 PolarHBondContact O-N 3.5Å
522N42.3Very low40.5Very low146 Ų146129.4 Ų129.478%0.78169%0.694SS**THydrogen-bonded Turntrans-76.2-4.1-178.2-71.212.4000114.4
523G39.1Very low38.8Very low64 Ų64132.9 Ų132.966%0.6671%0.707SS**THydrogen-bonded Turntrans-92.8-9.2174.600000114.5R520 A521R520-G523 PolarHBondContact O-N 3.2Å; A521-G523 PolarHBondContact O-N 3.09Å
524A35Very low38.2Very low81 Ų81130.6 Ų130.667%0.66970%0.704SS**SBendtrans-105.624-166.500000114.3A521A521-A524 PolarHBondContact O-N 3.5Å
525A36.7Very low37.1Very low83 Ų83129 Ų12969%0.68671%0.71SS**SBendtrans-11522.5-172.700000114.2
526N33.9Very low36.2Very low167 Ų167125.8 Ų125.889%0.89371%0.714SS**SBendtrans-158.447.6-176.5-109-24.9000114.2
527S29.2Very low35.1Very low101 Ų101126.3 Ų126.371%0.70672%0.724SS**  trans-161.963.7176.165.70000116.5
528T29.1Very low34.2Very low136 Ų136133.1 Ų133.183%0.83475%0.745SS**  trans-150.190.5161.5-9.70000113.8V530T528-V530 HydrophobicContact CG2-CG2 4.39Å
529M28.4Very low33.3Very low193 Ų193134.6 Ų134.695%0.95175%0.751SS**  trans-144.7146.7148.4-148178.3-69.900107
530V29.6Very low32.3Very low105 Ų105135.6 Ų135.664%0.63676%0.756SS**  trans-137.2137.2-146.4171.40000112.5T528T528-V530 HydrophobicContact CG2-CG2 4.39Å
531H26Very low31.6Very low169 Ų169132.5 Ų132.578%0.78275%0.754SS**  trans66.9141.3171.3-99-87.7000115
532L26.5Very low30.8Very low158 Ų158137.7 Ų137.783%0.82777%0.765SS**  cis-147.717329-99151.5000112.9
533E28Very low30.3Very low168 Ų168140.3 Ų140.379%0.78577%0.769SS**  trans-154.8159.3169.3-140.1-111.1142.900106.3
534P47.7Very low29.7Very low87 Ų87147 Ų14757%0.56578%0.783SS**  cis-116.5-176.84.443.3-31.4000113.4
535D27Very low29.3Very low161 Ų161148.4 Ų148.486%0.86179%0.788SS**  -176.1168.7111.2-109.4-28.5000113
536A27.5Very low29.7Very low81 Ų81150.3 Ų150.367%0.66979%0.793SS**  trans-125.9170.7-168.100000114.5
537L26Very low29.5Very low166 Ų166146 Ų14687%0.86979%0.789SS**  trans58.2115178.5-76.289.7000116.8
538E26.7Very low29.6Very low183 Ų183146.4 Ų146.486%0.85580%0.798SS**  -147.3111.7107.1-136175.7-158.300111.2
539E28.5Very low29.6Very low167 Ų167143 Ų14378%0.7879%0.791SS**  trans-92.6144.3159.7-168.6-175.9-170.100107.3
540Q24.1Very low29.8Very low158 Ų158145.8 Ų145.874%0.73879%0.79SS**  trans75103.3178-42.2179.615.900117
541L28.3Very low29.9Very low143 Ų143146.8 Ų146.875%0.74980%0.797SS**  -160.1113.2118.7-107.1166.4000114.8
542K28Very low30.1Very low175 Ų175147.1 Ų147.176%0.76180%0.796SS**  trans32.8113151-69.8169.2-168.9164.10121.6
543K30.7Very low30.2Very low201 Ų201147.4 Ų147.487%0.87479%0.79SS**  47.5118.7119.5-63.5-178.3175.6-176.90119.9
544Q27.3Very low30.2Very low203 Ų203148.4 Ų148.495%0.94979%0.792SS**  -150.7171.2120.6-111.6174.325.400111.7
545S26Very low29.3Very low112 Ų112148.9 Ų148.978%0.78380%0.798SS**  trans-165.7174.5-170.1-133.50000108.1
546P45.8Very low29.5Very low122 Ų122149.4 Ų149.479%0.79280%0.797SS**  cis-144.1178.812.242.9-23.9000118.1
547G29.7Very low30.6Very low78 Ų78150.2 Ų150.280%0.80480%0.796SS**  trans90.6156.8150.500000117.4
548A30.3Very low30.9Very low109 Ų109150 Ų15090%0.90180%0.796SS**  cis-164156.4-19.300000107.8
549G30.1Very low31.2Very low65 Ų65144.8 Ų144.867%0.6779%0.791SS**  cis171173.7-4.100000110.3
550R31.7Very low31.5Very low250 Ų250144.2 Ų144.294%0.94379%0.792SS**  trans68.2148.1-179.9-57.4-177.9176.3175.5-0.3115.1
551V31.6Very low32.1Very low127 Ų127147.8 Ų147.877%0.7780%0.799SS**  cis-151.2161-11.9119.70000111.5
552K29.9Very low32.3Very low175 Ų175151.4 Ų151.476%0.76180%0.803SS**  trans-37.1161.5165.3-58.3167-173.9171.90114.7
553K29.1Very low32.7Very low165 Ų165149.6 Ų149.672%0.71780%0.8SS**  cis-178.7165.2-8.7-106.8-177.6176.7-169.90107.5
554F28.1Very low32.9Very low188 Ų188149.1 Ų149.183%0.82580%0.799SS**  trans64.1173.9154.3-83.1-140.9000115.6
555S28.1Very low33.7Very low97 Ų97144.5 Ų144.568%0.67879%0.786SS**  cis-170.6154.5-37.3177.80000108.8
556M31.9Very low34.1Very low172 Ų172148.8 Ų148.885%0.84779%0.791SS**  trans-39.2167159-84.5175.1146.300116.6
557P50.9Low33.2Very low99 Ų99152.4 Ų152.464%0.64380%0.798SS**  cis-144.5-163.9-19.538.6-17.4000115.1
558D31.4Very low33.3Very low162 Ų162157.9 Ų157.987%0.86680%0.799SS**  trans66.8132.9147.7-71.6-7.9000123.4
559G34.8Very low33.2Very low73 Ų73162.8 Ų162.875%0.75380%0.8SS**  130.79.3113.900000123
560L32.9Very low33.2Very low155 Ų155170.7 Ų170.781%0.81281%0.81SS**  trans-156.5128176.6-96.6161.4000109.1
561R36.6Very low33.2Very low233 Ų233164.7 Ų164.788%0.87980%0.803SS**  cis-142.1144.630.4-58.7132.2179.7-174.6-0.7107.8
562R34.5Very low33Very low219 Ų219164 Ų16483%0.82680%0.804SS**  cis73.6125.536.4-136-176.7-157.3-169.98.3114
563L36.2Very low33.1Very low136 Ų136164.2 Ų164.271%0.71281%0.808SS**  trans92.785.5162.6-52.3171.5000120.6
564F33.8Very low33.1Very low191 Ų191164.4 Ų164.484%0.83882%0.816SS**  trans62.8-175142.6-55.7-68.2000118.2
565P45Very low33.2Very low106 Ų106162.4 Ų162.469%0.68881%0.813SS**  -128.5178.6-7740.6-27000114.7
566F32.9Very low33.5Very low203 Ų203163.7 Ų163.789%0.8981%0.809SS**  trans19.7117161.2-74-75.1000119.8
567Q28.5Very low33.5Very low198 Ų198165.4 Ų165.493%0.92581%0.806SS**  -156.2152.7126-117.6176.727.300114
568K31.8Very low32.6Very low192 Ų192170.2 Ų170.284%0.83582%0.817SS**  trans-94.3138.3164.9-63.5172.4178.6173.90108.4
569K28Very low32.5Very low212 Ų212169.8 Ų169.892%0.92281%0.814SS**  -170.7179121.3-105.7171.4-178.6-176.70111.9
570R29.1Very low32.3Very low231 Ų231170.7 Ų170.787%0.87281%0.809SS**PPolyproline II helixtrans-81.9159.4-167-68.8175.6176.6166.5-3.3112.2
571P31.6Very low32Very low125 Ų125169.1 Ų169.181%0.81281%0.805SS**PPolyproline II helixtrans-67.9145.5168.130.7-35.9000111.3
572S28.4Very low31.6Very low111 Ų111164 Ų16478%0.77680%0.799SS**PPolyproline II helixtrans-85.9154.9148.449.40000109.1
573Q32.3Very low31.5Very low181 Ų181158 Ų15885%0.84679%0.791SS**PPolyproline II helixtrans-73.9155166.2-65.1156.1-78.900109.3
574D27.9Very low31.2Very low168 Ų168157.7 Ų157.790%0.89879%0.794SS**  trans-144.9159.1137.6-104.9-42.4000109.3
575L31.5Very low31.8Very low146 Ų146153.9 Ų153.976%0.76479%0.789SS**  trans-125.1-179.2-163.9-154.676.1000111.1
576E33.3Very low31.2Very low125 Ų125157.7 Ų157.758%0.58480%0.797SS**  trans76.2114.7166.9-54.6-91.499.700114.8
577R33.3Very low31.1Very low208 Ų208151 Ų15179%0.78579%0.786SS**  83.8134.255.2-77.6-169-169.4150.2-14.7114.2
578K31.3Very low31.1Very low199 Ų199147.8 Ų147.887%0.86578%0.78SS**  trans166.8148.7154.4-100.6166.2-174.41780108.5
579L29.2Very low31.1Very low154 Ų154145.9 Ų145.981%0.80678%0.777SS**  cis-146.4170.9-2-86.8174.5000106.3
580S29.8Very low31.1Very low92 Ų92140.5 Ų140.564%0.64377%0.766SS**  cis-167.9-134.8-19.557.80000108.5
581V26.6Very low31.1Very low121 Ų121137.4 Ų137.473%0.73376%0.761SS**  trans69.9108.8172.5-1660000115.6
582V29Very low30.9Very low125 Ų125139.6 Ų139.676%0.75876%0.761SS**  cis94127.233.3174.60000112.3
583S32.5Very low30.9Very low95 Ų95138.7 Ų138.766%0.66476%0.76SS**  cis-176.2152.2-10.954.50000114.6
584V29.3Very low30.5Very low128 Ų128141.8 Ų141.878%0.77676%0.764SS**  trans69.3149.4145.5164.30000118.7
585P47Very low30.6Very low111 Ų111138.7 Ų138.772%0.72176%0.756SS**  cis-115.3-173.41124.6-0000114.7
586E32.6Very low31.7Very low186 Ų186136.8 Ų136.887%0.86975%0.752SS**  cis88.1141.915.3-162.7164.8-135.600116.6
587G30.7Very low31.5Very low63 Ų63137.8 Ų137.865%0.64976%0.76SS**  cis-130.6-124.9-0.100000113.6
588V28.5Very low31.3Very low131 Ų131133.6 Ų133.679%0.79475%0.753SS**  cis-159120.61.1179.10000113.2
589I30.6Very low31.3Very low152 Ų152133.3 Ų133.378%0.77975%0.748SS**  trans45.1110.4141.5-51.7177.9000125.6
590S29.6Very low31.3Very low98 Ų98135.5 Ų135.569%0.68575%0.747SS**  trans46.2137132.8920000128.1
591Q27.9Very low31.2Very low167 Ų167135.2 Ų135.278%0.7875%0.745SS**  177160.5127.4-96.5175.171.100109.1
592Q27.7Very low31.3Very low171 Ų171136.1 Ų136.180%0.79975%0.746SS**  cis-150.7175.38.1-128.1172.751.600109.7
593A27.5Very low31.3Very low92 Ų92136.3 Ų136.376%0.7675%0.748SS**  trans-155.8153-177.500000115.7
594R25.7Very low31.2Very low246 Ų246138 Ų13893%0.92875%0.754SS**  trans163.9158.8160.4-94.6154.9-172.5-158.11.8110.9
595S29.5Very low31.1Very low103 Ų103138.6 Ų138.672%0.7276%0.758SS**  cis-170-165.2-20.457.50000110.6
596P53.2Low30.3Very low105 Ų105138.3 Ų138.368%0.68277%0.765SS**  -139.1-167.1-109.340.1-16.5000118.6
597L31Very low30.1Very low147 Ų147133.8 Ų133.877%0.7776%0.76SS**  trans72.3155.1171.4-86.662.8000116.4
598D27.9Very low30Very low119 Ų119135.8 Ų135.864%0.63676%0.764SS**  cis-150.9140.75.4-108.9-27.6000110
599Y31.7Very low30.1Very low194 Ų194134.6 Ų134.676%0.76176%0.761SS**  89.8147.789.1-119-82.8000118.8
600Y28.9Very low29.9Very low199 Ų199136.3 Ų136.378%0.7877%0.765SS**  trans65.5126.9-175.2-71.8-96.7000116
601S28.6Very low29.9Very low87 Ų87136.3 Ų136.361%0.60877%0.765SS**  69.8138.257.1115.70000113.6
602N28Very low29.9Very low139 Ų139138.1 Ų138.174%0.74377%0.767SS**  -161.6170.650.4-142.5-9.1000114.5
603T29.4Very low30Very low129 Ų129137.1 Ų137.179%0.79177%0.766SS**  trans-115.6145.7165.348.60000111.7
604V29.3Very low30Very low132 Ų132143.8 Ų143.880%0.877%0.772SS**  trans-145.5129.7171.8-177.90000105.2
605T28.3Very low30.6Very low139 Ų139140.1 Ų140.185%0.85377%0.77SS**  cis-124.8162.948.5450000115.5
606A30.6Very low30.6Very low106 Ų106139.1 Ų139.188%0.87678%0.776SS**  trans-140.8157.6174.100000110.8
607A27.8Very low29.9Very low91 Ų91146.1 Ų146.175%0.75279%0.789SS**  trans-145.4125.7168.100000110.6
608S28.9Very low29.8Very low105 Ų105142.8 Ų142.873%0.73479%0.79SS**  trans35.2102.4160.1540000119.1
609S28.9Very low31Very low105 Ų105142.4 Ų142.473%0.73479%0.794SS**  63.4100.280.8720000114.5
610Q27.3Very low32.2Very low188 Ų188138.8 Ų138.888%0.87979%0.794SS**  59.6119.686.6-74.2-1624.300116.6
611S28.7Very low33.8Very low98 Ų98134.1 Ų134.169%0.68579%0.788SS**  162.7170.2104.455.10000114.6
612Y29.3Very low34.8Very low205 Ų205135.3 Ų135.380%0.80479%0.794SS**  trans69.788.9167-71.2-82.2000123.2
613L28.7Very low34.9Very low151 Ų151137.5 Ų137.579%0.79180%0.797SS**  57.3131.6109.5-94165.8000124
614R28.4Very low34.8Very low232 Ų232139.7 Ų139.788%0.87580%0.798SS**  110.7131.1129.7-159.1173.2-171.9164.32.5118
615N38.5Very low34.8Very low169 Ų169137.7 Ų137.790%0.90479%0.791SS**  trans-71136.8172.5-71.1-19.6000112.2
616G30Very low34.8Very low81 Ų81138.3 Ų138.384%0.83579%0.789SS**  trans-156.8142.2167.600000110
617R37.8Very low34.7Very low253 Ų253137 Ų13796%0.95579%0.786SS**  trans-119.2126.9-172-172.2-174.5-170.7-1684.3110.1
618G29.1Very low34.9Very low77 Ų77138.2 Ų138.279%0.79479%0.788SS**  trans-136.7118.5-177.600000114.2
619P53Low34.9Very low110 Ų110140 Ų14071%0.71479%0.789SS**  trans-119.6-158.4164.643.9-30.6000109.5
620P56Low35.2Very low118 Ų118139.8 Ų139.877%0.76679%0.794SS**  cis-126.6-107.8-6.524.14.2000116.1
621P62.9Low35.1Very low101 Ų101135.6 Ų135.666%0.65679%0.785SS**  trans-122.8-140.2-137.846.9-24.3000111.8
622P50.8Low35.1Very low113 Ų113134.9 Ų134.973%0.73479%0.793SS**  cis-92.8-167.77.844-40.3000112.1
623F28.9Very low35.1Very low184 Ų184128.7 Ų128.781%0.80779%0.791SS**  cis87.8133.97.8-98.4-84000120.6
624E26.8Very low35Very low175 Ų175125.3 Ų125.382%0.81879%0.794SS**  trans58.3162.8170.3-44.5-160.815400117.3
625S31.2Very low34.9Very low91 Ų91117.8 Ų117.864%0.63679%0.788SS**  cis-154.4157.710.877.50000114.4
626N28.2Very low34.5Very low152 Ų152117.3 Ų117.381%0.81379%0.785SS**  trans46.4126.3138.8-58.3-23.3000124.2
627G28.6Very low34.5Very low79 Ų79119.3 Ų119.381%0.81478%0.78SS**  trans90.6143.2142.800000117.1
628S30.8Very low34Very low115 Ų115114.5 Ų114.580%0.80477%0.774SS**  cis-155.9-170.2-3.163.90000111.7
629L29.8Very low34Very low143 Ų143119 Ų11975%0.74978%0.776SS**  trans-49.4153.9-174.9-64.975.5000113.4
630A33.8Very low32.6Very low101 Ų101117.3 Ų117.384%0.83578%0.779SS**  cis-96.2137.923.300000114.6
631S26.5Very low31.1Very low99 Ų99120.9 Ų120.969%0.69278%0.783SS**  cis75.296.218.7-160.40000116.5
632G28.9Very low29.4Very low83 Ų83124.2 Ų124.286%0.85679%0.789SS**  trans148101.4170.500000111.6
633G27.6Very low28.4Very low75 Ų75127.5 Ų127.577%0.77380%0.797SS**  cis159.8134.7-4.900000110.5
634G28.4Very low28.5Very low81 Ų81127.6 Ų127.684%0.83580%0.8SS**  trans80.3132.8-175.300000113.3
635G25.2Very low28.9Very low73 Ų73124.5 Ų124.575%0.75379%0.789SS**  cis103.3120.7-600000114.4
636L29.4Very low28.8Very low160 Ų160124 Ų12484%0.83880%0.798SS**  trans63.890156.7-68.9160.3000119
637T30.9Very low29.1Very low122 Ų122120.7 Ų120.775%0.74879%0.792SS**  54.2120.5121.657.20000121.2
638N28Very low29.3Very low152 Ų152122.2 Ų122.281%0.81379%0.786SS**  trans95.6141.9136.4-151.725.4000118.7
639M29.1Very low30Very low171 Ų171122.2 Ų122.284%0.84278%0.783SS**  trans60.4107.8166.5-65.9-68.1-80.500119.9
640G23.8Very low30.8Very low75 Ų75120.6 Ų120.677%0.77378%0.781SS**  trans132.2157.5157.600000113.7
641F24.2Very low30.9Very low193 Ų193121.5 Ų121.585%0.84678%0.782SS**  cis-164.4-179.6-28-155.6-107.7000106.8
642Q27Very low31.3Very low171 Ų171120.9 Ų120.980%0.79978%0.782SS**  trans61.4117.4164.8-100.2155.3-37.900119.9
643M29.2Very low31.4Very low183 Ų183125.6 Ų125.690%0.90179%0.787SS**  trans-87151140-84.7173132.800109.1
644E30.4Very low31.5Very low186 Ų186125.6 Ų125.687%0.86979%0.787SS**  trans-132.5109.5149.2-150.7167-157.800102.1
645D36.3Very low31.5Very low109 Ų109125.8 Ų125.858%0.58379%0.788SS**  51.3143.967.7-95.9-26.9000113.5A647 T648D645-A647 WeakPolarHBondContact OD1-CA 3.43Å; D645-A647 PolarHBondContact OD1-N 3.17Å; D645-T648 PolarHBondContact OD1-N 3.4Å
646G28.1Very low31.8Very low80 Ų80126.4 Ų126.483%0.82580%0.795SS**SBendcis-84161.34.300000116.1
647A34.4Very low32.4Very low83 Ų83123.2 Ų123.269%0.68679%0.792SS**SBendcis-152.899.80.600000114.7D645D645-A647 WeakPolarHBondContact OD1-CA 3.43Å; D645-A647 PolarHBondContact OD1-N 3.17Å
648T33.8Very low32.4Very low111 Ų111128.8 Ų128.868%0.68180%0.801SS**  trans72.7174.4143.281.30000117.6D645D645-T648 PolarHBondContact OD1-N 3.4Å
649P44.3Very low32.5Very low115 Ų115128.8 Ų128.875%0.74780%0.796SS**  -139.7-157.4-110.737.4-11.9000114.8
650P47.7Very low32.4Very low110 Ų110131 Ų13171%0.71480%0.795SS**  cis-132170.1-29.121.71.9000117.1
651S34.6Very low32.6Very low120 Ų120137.4 Ų137.484%0.83980%0.801SS**  trans74.6149.3148.674.30000122.2
652A35.7Very low33.1Very low85 Ų85132.7 Ų132.770%0.70280%0.798SS**  cis-169.6147-23.900000113.4
653L31.9Very low33.3Very low183 Ų183129.5 Ų129.596%0.95880%0.801SS**  trans57.2145.7160.2-59.7166.7000120.2
654G29.5Very low33.5Very low75 Ų75126.1 Ų126.177%0.77380%0.802SS**  cis165.6146.6-11.600000114.1
655G29Very low33.4Very low84 Ų84121 Ų12187%0.86680%0.799SS**  trans103.2127.2153.700000121.7
656G30.3Very low33.4Very low87 Ų87125.2 Ų125.290%0.89781%0.812SS**  trans90.3140.1146.400000119.6
657A43.1Very low33.7Very low92 Ų92132.6 Ų132.676%0.7682%0.815SS**  trans-143.8119.7174.300000112.9
658Y29.9Very low33.5Very low239 Ų239138.1 Ų138.194%0.93782%0.818SS**  trans-155.4172.1167.5-103.2-70.9000112.4
659Q29.6Very low33.4Very low152 Ų152141.7 Ų141.771%0.7182%0.819SS**  trans-74.1154-166.4-59.6179.2-7.800116.8
660R27.5Very low32.8Very low218 Ų218142 Ų14282%0.82381%0.81SS**  trans79.9154.3134-95.2176.4174.9178.21.1121.9
661K29Very low32.1Very low209 Ų209140.6 Ų140.691%0.90980%0.804SS**  trans81.4168.5156.8-84.2-177.4174.8-179.10117.5
662A34.4Very low32.1Very low95 Ų95141.9 Ų141.979%0.78580%0.799SS**  trans-147.9166.8-159.500000112.3
663A31.5Very low31.8Very low104 Ų104148.1 Ų148.186%0.8681%0.807SS**  trans89.7143.9161.800000120
664A32.5Very low32Very low112 Ų112144.8 Ų144.893%0.92679%0.794SS**  trans99.7112.5162.500000117.9
665G28.6Very low32Very low77 Ų77150 Ų15079%0.79480%0.798SS**  trans-164.3146.2171.500000109.8
666K35.1Very low32.1Very low198 Ų198153.2 Ų153.286%0.86180%0.795SS**  trans-168.2154.7-171.1-153.9167-178.51730113.7
667R34.6Very low31.9Very low236 Ų236158.4 Ų158.489%0.89180%0.796SS**  trans76.4153.9175.4-51.4172.4167.2176.7-4.9113.4
668R30.3Very low31.4Very low198 Ų198158.2 Ų158.275%0.74780%0.795SS**  cis-124.2-153.1-5.9-138.1-163.7143.8158.8-5.8107.9E670R668-E670 IonicContact CZ-OE1 3.5Å; R668-E670 IonicContact NE-OE1 2.68Å; R668-E670 PolarHBondContact NE-OE1 2.87Å; R668-E670 IonicContact NH2-OE1 3.88Å; R668-E670 PolarHBondContact NH2-OE1 3.29Å; R668-E670 IonicContact NH2-OE2 2.71Å
669R32.6Very low32Very low186 Ų186152.3 Ų152.370%0.70279%0.786SS**  cis-136.6-125.2-3.5-166.4-151.7165.1156.1-4.3110.5
670E30.5Very low32Very low121 Ų121150.3 Ų150.357%0.56579%0.789SS**  trans-150.1177.7-167.5-63.7138-134.400105.6R668R668-E670 IonicContact CZ-OE1 3.5Å; R668-E670 IonicContact NE-OE1 2.68Å; R668-E670 PolarHBondContact NE-OE1 2.87Å; R668-E670 IonicContact NH2-OE1 3.88Å; R668-E670 PolarHBondContact NH2-OE1 3.29Å; R668-E670 IonicContact NH2-OE2 2.71Å
671S33.2Very low32.2Very low82 Ų82144 Ų14457%0.57378%0.783SS**  cis-173.9144.134.650.40000114.7
672I34.8Very low32.3Very low146 Ų146145.2 Ų145.275%0.74978%0.782SS**  trans55.1116.5141-48.4158.6000121.2
673Y30.6Very low32.1Very low217 Ų217151.9 Ų151.985%0.85179%0.786SS**  -170.9170.8107.5-123.4-82.6000113
674T35.9Very low32Very low113 Ų113150.3 Ų150.369%0.69378%0.78SS**  trans-121.7156.8-170.955.50000113.8
675Q29.3Very low31.9Very low184 Ų184150.4 Ų150.486%0.8677%0.774SS**  trans-165.1157.9133.5-158.4136.9-25.500113
676N30.7Very low32Very low152 Ų152155.8 Ų155.881%0.81378%0.781SS**  trans-119.4154.5174.9-86.9-29000111.1
677Q26.3Very low31.7Very low195 Ų195157.1 Ų157.191%0.91178%0.782SS**  trans-172.8164.9131.1-107.5174.716.500113.4
678A32.3Very low32.7Very low88 Ų88151.2 Ų151.273%0.72777%0.774SS**  trans-136.3169.7167.900000108
679P42Very low33.6Very low116 Ų116146.4 Ų146.475%0.75377%0.769SS**  -160176.610443.2-24.3000117.6
680S30.4Very low33.6Very low110 Ų110144 Ų14477%0.76978%0.775SS**  trans24.3170139.968.10000124.8
681A30.7Very low33.7Very low84 Ų84141.8 Ų141.869%0.69478%0.778SS**  cis171.6166-34.800000109.9
682R31.7Very low33.7Very low236 Ų236147 Ų14789%0.89179%0.792SS**  trans68.4170162.1-68.2-174.9174.9-1570.9118.5
683R31.3Very low33.5Very low234 Ų234143.5 Ų143.588%0.88379%0.785SS**  cis179.3137.3-38.7-173-173.5-154.4-1479.2110.6
684G29Very low33.6Very low71 Ų71141.4 Ų141.473%0.73279%0.788SS**  trans148.4161.5155.300000115.4
685S29.6Very low33.4Very low115 Ų115139.5 Ų139.580%0.80478%0.784SS**  cis148.3111.8-38.71710000112.6
686M31.4Very low33.5Very low190 Ų190138.8 Ų138.894%0.93678%0.781SS**  trans-170.8165.3146.7-107.6164.8-172.400114
687Y28Very low33.6Very low225 Ų225137.7 Ų137.788%0.88277%0.772SS**  trans-150.7-175.3-173.3-103-88.3000106.9
688P56.9Low33.8Very low112 Ų112135.2 Ų135.273%0.72776%0.761SS**  cis-122.3-125.3-2.426.81.2000110.5
689P47.5Very low33.8Very low97 Ų97137.1 Ų137.163%0.6376%0.756SS**  cis-140.6158.1-23.541.4-22.4000119
690T32.8Very low33.1Very low137 Ų137141.9 Ų141.984%0.8476%0.759SS**  trans51.2152.2140.957.20000124.6
691A32.6Very low33Very low74 Ų74148.2 Ų148.261%0.61277%0.766SS**  cis-177170.5-20.800000113
692H32.8Very low32.9Very low190 Ų190147.7 Ų147.788%0.8877%0.769SS**  trans67.5159.6164.9-72-89.1000120.2
693A32.2Very low32.8Very low73 Ų73142 Ų14260%0.60377%0.765SS**  cis-174.2174.9-30.600000112.5
694L31.3Very low32.9Very low173 Ų173138.5 Ų138.591%0.90676%0.763SS**  trans73.4155.1165.6-60.9170.2000118.2
695A31.5Very low32.9Very low74 Ų74138.8 Ų138.861%0.61276%0.759SS**  cis-171.1159.1-20.600000114.2
696Q33.1Very low33.1Very low169 Ų169139.4 Ų139.479%0.7976%0.758SS**  trans63.8160.4154-70.7-176.58.400119.7
697M31.2Very low33Very low129 Ų129136.4 Ų136.464%0.63576%0.755SS**  cis-158.8147.4-10.7-121.3-164.6-167.200112.9
698Q32.3Very low33Very low143 Ų143129.2 Ų129.267%0.66875%0.75SS**  trans52.4144.4137.3-74-17716.400123.1
699M31.8Very low31.7Very low128 Ų128130.4 Ų130.463%0.63176%0.761SS**  cis-137.3-141.9-7-63-157.5176.100109.7
700R27.6Very low30.8Very low216 Ų216129.3 Ų129.382%0.81577%0.767SS**  cis-154.6-1462.3-140.3158.3-145.6-154.84.1114.3
701R28.3Very low30.8Very low242 Ų242128.9 Ų128.991%0.91377%0.77SS**  trans-99.3165.9-167.4-65.5170.6170.2179.5-5.6113.7
702G27.8Very low30.7Very low73 Ų73129.6 Ų129.675%0.75378%0.775SS**  cis152.3136.9-12.200000117.1
703S29.8Very low30.8Very low116 Ų116125 Ų12581%0.81177%0.771SS**  trans52.1113.7138.6-176.30000124.5
704L32.5Very low30.7Very low161 Ų161130.3 Ų130.384%0.84379%0.785SS**  trans-172.9146.2136.5-124.662.4000107
705A30.9Very low30.7Very low78 Ų78126.6 Ų126.665%0.64578%0.779SS**  cis70.5133.828.500000112.9
706T32.2Very low30.7Very low128 Ų128127.3 Ų127.379%0.78579%0.785SS**  cis-152.9170.721.553.80000113.6
707S30.8Very low30.6Very low126 Ų126125.9 Ų125.988%0.88179%0.788SS**  trans40.3147.1138.1-160.60000123.9
708G28.1Very low30.6Very low74 Ų74124.6 Ų124.676%0.76380%0.798SS**  trans158.5110.6149.400000117.9
709S28.7Very low30.6Very low137 Ų137122.2 Ų122.296%0.95880%0.803SS**  trans-91.8155.3168.1179.90000111.7
710G28.4Very low30.6Very low74 Ų74128.2 Ų128.276%0.76382%0.818SS**  trans178.9156.417300000114.9
711S32.1Very low30.8Very low128 Ų128129.8 Ų129.890%0.89582%0.824SS**  trans-154.5164.7-176.2-169.30000113.9
712A32.3Very low31.1Very low89 Ų89122 Ų12274%0.73682%0.819SS**  trans80.2113.5159.600000122.6
713A33.1Very low31.1Very low94 Ų94124.5 Ų124.578%0.77783%0.825SS**  48.6137.5126.200000124.6
714M31.8Very low31.2Very low184 Ų184125.9 Ų125.991%0.90682%0.823SS**  175.3163.2115.6-100.7-61.6-158.600116.1
715A30.2Very low31Very low95 Ų95127.2 Ų127.279%0.78582%0.822SS**  trans66.8161157.800000119.2
716A32.2Very low32Very low89 Ų89129.1 Ų129.174%0.73683%0.828SS**  cis-177.9172.1-19.700000109
717V30.2Very low31.7Very low139 Ų139128.2 Ų128.284%0.84283%0.833SS**  cis-168.7162-22.8139.60000109.7
718A31.5Very low31.6Very low102 Ų102128.6 Ų128.684%0.84383%0.83SS**  trans77.7168160.800000122.2
719A32.3Very low31.6Very low94 Ų94129.4 Ų129.478%0.77783%0.83SS**  trans-162.3162.8-170.400000114
720R32.1Very low31.5Very low254 Ų254129.2 Ų129.296%0.95883%0.828SS**  trans-170.3168.4156.9-109.5161.9-164.7-127.23116.4
721R32.4Very low31.6Very low248 Ų248130.1 Ų130.194%0.93683%0.829SS**  trans-79.3174-179.1-53.6169.4177.9-179.9-3.7112.1
722G33Very low31.3Very low78 Ų78129.5 Ų129.580%0.80482%0.824SS**  cis131.9128.5-2.300000114
723S27.9Very low31.2Very low126 Ų126130.1 Ų130.188%0.88182%0.823SS**  trans-158.1179.417671.10000114.5
724L32.7Very low30.9Very low145 Ų145132.8 Ų132.876%0.75982%0.824SS**  trans-146.9129.9-164.2-74.9161.6000115.2
725F28.6Very low30.8Very low190 Ų190130 Ų13083%0.83382%0.818SS**  trans55.1168.5154.2-65.7-61.3000120.9
726P51.2Low30.6Very low118 Ų118131.3 Ų131.377%0.76682%0.821SS**  cis-133.5155.6-46.737.5-23000114.1
727A27.1Very low30.8Very low108 Ų108131.9 Ų131.989%0.89383%0.825SS**  trans-162.6170.9162.300000113.7
728T28.6Very low30.9Very low135 Ų135130.5 Ų130.583%0.82882%0.819SS**  trans-103147.4-165.249.40000116.9
729A27Very low30.6Very low91 Ų91137.3 Ų137.375%0.75282%0.823SS**  trans80.3158.6140.200000122.4
730S27.3Very low31Very low132 Ų132144.6 Ų144.692%0.92383%0.83SS**  trans72.3164.317877.10000116.8
731A29.9Very low30.8Very low94 Ų94137.9 Ų137.978%0.77782%0.822SS**  trans-140.6146.8-154.100000114.4
732S27.1Very low30.8Very low114 Ų114130.5 Ų130.580%0.79781%0.809SS**  trans-173.2148.6138.134.60000113.3
733S28.6Very low31.3Very low102 Ų102134 Ų13471%0.71381%0.808SS**  trans13.3146154.457.70000124.6
734L27.8Very low31.8Very low151 Ų151137 Ų13779%0.79181%0.805SS**  trans86.8108.6147.1-101.574.9000121.3
735T29.9Very low31.9Very low126 Ų126134.5 Ų134.577%0.77380%0.8SS**  trans44.2101.7131.956.90000120.8
736S25.8Very low32.2Very low122 Ų122131.9 Ų131.985%0.85380%0.799SS**  trans-154.1157.3132.559.10000110.4
737A35.2Very low31.4Very low100 Ų100132.7 Ų132.783%0.82680%0.802SS**  trans-100.9142179.100000111.6
738P33.4Very low32.2Very low110 Ų110130.3 Ų130.371%0.71478%0.779SS**  trans-140135.7140.635.2-21.2000115.3
739R25.4Very low32.8Very low245 Ų245131.2 Ų131.293%0.92577%0.773SS**  trans50.6130.6137.9-58-176.1177.9-153-3120.5
740R40.5Very low33.5Very low247 Ų247134.7 Ų134.793%0.93277%0.772SS**  trans-48.8140.5169-81.3-179.1162.5-159.3-3.7113.9
741S28.4Very low34.3Very low113 Ų113133 Ų13379%0.7975%0.752SS**  trans-120.4-176.4151.462.20000110.2
742S31.3Very low35.2Very low94 Ų94134.1 Ų134.166%0.65774%0.743SS**  trans-80.6144.7-164.246.60000115.7F744S742-F744 PolarHBondContact O-N 3.35Å
743I44.4Very low35.8Very low152 Ų152132.5 Ų132.578%0.77973%0.725SS**SBendtrans-65.4-0.9-173-71169.8000115.6
744F37.6Very low36.5Very low189 Ų189132 Ų13283%0.82972%0.718SS**  trans-131.475.6-178-80.1-75.3000114S742S742-F744 PolarHBondContact O-N 3.35Å
745S35.3Very low37.1Very low92 Ų92131 Ų13164%0.64371%0.713SS**SBendtrans-159.7139.5153.357.50000111.3
746V34.1Very low37.9Very low135 Ų135132.5 Ų132.582%0.81871%0.711SS**  trans64.596.3173.6-166.60000115.6
747T35.9Very low38.7Very low134 Ų134133.9 Ų133.982%0.82270%0.704SS**  trans-68.3125.4156.345.90000109.5
748S42Very low39.6Very low58 Ų58133.5 Ų133.541%0.40669%0.691SS.*  trans-87.1146.1174.8-169.90000110.6K750 D751S748-K750 PolarHBondContact O-N 2.68Å; S748-D751 PolarHBondContact N-OD2 2.76Å; S748-D751 PolarHBondContact O-N 2.97Å
749E42.9Very low40.9Very low154 Ų154132.1 Ų132.172%0.7268%0.681SS**Hα-helixtrans-56.9-22.5172.7-67.1174.9116.100112.6D751 M752 N753E749-D751 VanDerWaalsContact C-N 3.33Å; E749-D751 PolarHBondContact O-N 3.44Å; E749-M752 PolarHBondContact O-N 3.02Å; E749-N753 PolarHBondContact O-N 2.99Å; E749-N753 PolarHBondContact O-ND2 3.41Å
750K41.1Very low42.2Very low164 Ų164126.8 Ų126.871%0.71367%0.67SS**Hα-helixtrans-61.7-36.9173.3-70.8-173.2174.6-177.10113.1S748 M752 N753 V754S748-K750 PolarHBondContact O-N 2.68Å; K750-M752 VanDerWaalsContact C-N 3.31Å; K750-M752 PolarHBondContact O-N 2.93Å; K750-N753 PolarHBondContact O-N 3.37Å; K750-V754 PolarHBondContact O-N 3.47Å
751D43.1Very low42.6Very low97 Ų97117.3 Ų117.352%0.51964%0.644SS.*Hα-helixtrans-71.8-29.8-178.7-55.1-42000111.6S748 E749 V754 L755S748-D751 PolarHBondContact N-OD2 2.76Å; S748-D751 PolarHBondContact O-N 2.97Å; E749-D751 VanDerWaalsContact C-N 3.33Å; E749-D751 PolarHBondContact O-N 3.44Å; D751-V754 PolarHBondContact O-N 3.36Å; D751-L755 PolarHBondContact O-N 2.82Å
752M49.1Very low43.4Very low118 Ų118115.4 Ų115.458%0.58163%0.625SS**Hα-helixtrans-70-39.8175.6-164.7161.367.300111.6E749 K750 V754 L755 E756E749-M752 PolarHBondContact O-N 3.02Å; K750-M752 VanDerWaalsContact C-N 3.31Å; K750-M752 PolarHBondContact O-N 2.93Å; M752-V754 VanDerWaalsContact C-N 3.28Å; M752-V754 PolarHBondContact O-N 3.45Å; M752-L755 PolarHBondContact O-N 3.3Å; M752-E756 PolarHBondContact O-N 2.91Å
753N39.7Very low44.7Very low80 Ų80116.3 Ų116.343%0.42862%0.621SS.*Hα-helixtrans-65.6-27.9174.3-77.6-94.7000113E749 K750 Q757E749-N753 PolarHBondContact O-N 2.99Å; E749-N753 PolarHBondContact O-ND2 3.41Å; K750-N753 PolarHBondContact O-N 3.37Å; N753-Q757 WeakPolarHBondContact O-CG 3.39Å; N753-Q757 PolarHBondContact O-N 3.46Å
754V44.1Very low45.2Very low92 Ų92113.8 Ų113.856%0.55861%0.609SS**Hα-helixtrans-67.3-41.1173.9172.40000110.9K750 D751 M752 E756 Q757 T758K750-V754 PolarHBondContact O-N 3.47Å; D751-V754 PolarHBondContact O-N 3.36Å; M752-V754 VanDerWaalsContact C-N 3.28Å; M752-V754 PolarHBondContact O-N 3.45Å; V754-E756 PolarHBondContact O-N 2.98Å; V754-Q757 PolarHBondContact O-N 3.05Å; V754-Q757 VanDerWaalsContact O-N 3.13Å; V754-T758 PolarHBondContact O-N 3.37Å
755L40.4Very low46Very low130 Ų130111.9 Ų111.968%0.68160%0.596SS**Hα-helixtrans-66-34.4178.1-73.8164000113.1D751 M752 Q757 T758D751-L755 PolarHBondContact O-N 2.82Å; M752-L755 PolarHBondContact O-N 3.3Å; L755-Q757 PolarHBondContact O-N 2.9Å; L755-T758 PolarHBondContact O-OG1 3.11Å; L755-T758 VanDerWaalsContact O-OG1 3.1Å
756E46.3Very low47Very low157 Ų157110 Ų11073%0.73459%0.586SS**Hα-helixtrans-70.1-15174.4-67-171.6162.500113.3M752 V754M752-E756 PolarHBondContact O-N 2.91Å; V754-E756 PolarHBondContact O-N 2.98Å
757Q42.2Very low47.8Very low150 Ų150109 Ų10970%0.70158%0.575SS**Hα-helixtrans-110.5-1.5-178.1-64.4-175.610.700114.3N753 V754 L755 T759N753-Q757 WeakPolarHBondContact O-CG 3.39Å; N753-Q757 PolarHBondContact O-N 3.46Å; V754-Q757 PolarHBondContact O-N 3.05Å; V754-Q757 VanDerWaalsContact O-N 3.13Å; L755-Q757 PolarHBondContact O-N 2.9Å; Q757-T759 PolarHBondContact O-N 2.84Å
758T53.8Low48.9Very low92 Ų92108.8 Ų108.856%0.56457%0.565SS**  trans-70.397.1175.348.60000111.7V754 L755V754-T758 PolarHBondContact O-N 3.37Å; L755-T758 PolarHBondContact O-OG1 3.11Å; L755-T758 VanDerWaalsContact O-OG1 3.1Å
759T62.4Low49.9Very low82 Ų82109.8 Ų109.850%0.50357%0.569SS.*  trans-74.1156.8173.874.60000112Q757 A761 D762 L763Q757-T759 PolarHBondContact O-N 2.84Å; T759-A761 PolarHBondContact O-N 2.9Å; T759-A761 VanDerWaalsContact O-N 3.08Å; T759-D762 PolarHBondContact O-N 3.4Å; T759-L763 PolarHBondContact O-N 2.87Å
760I51.1Low50.9Low133 Ų133107.2 Ų107.268%0.68256%0.563SS**Hα-helixtrans-56.4-28.6179.6-63171.8000112.1D762 L763 I764I760-D762 VanDerWaalsContact C-N 3.34Å; I760-D762 PolarHBondContact O-N 3.04Å; I760-L763 WeakPolarHBondContact O-CB 3.28Å; I760-L763 PolarHBondContact O-N 3.09Å; I760-I764 HydrophobicContact CG2-CD1 3.95Å; I760-I764 HydrophobicContact CG2-CG1 4.44Å; I760-I764 WeakPolarHBondContact O-CG1 3.35Å; I760-I764 PolarHBondContact O-N 2.82Å
761A49.3Very low51.3Low47 Ų47105.8 Ų105.839%0.38856%0.559SS.*Hα-helixtrans-62.4-37.1177.500000113.1T759 I764 R765T759-A761 PolarHBondContact O-N 2.9Å; T759-A761 VanDerWaalsContact O-N 3.08Å; A761-I764 PolarHBondContact O-N 3.3Å; A761-R765 WeakPolarHBondContact O-CG 3.45Å; A761-R765 PolarHBondContact O-N 2.82Å
762D46.1Very low52.3Low73 Ų73104.5 Ų104.539%0.3956%0.555SS.*Hα-helixtrans-80.6-27.5178.9-69.5-53.8000112.6T759 I760 I764 R765 A766T759-D762 PolarHBondContact O-N 3.4Å; I760-D762 VanDerWaalsContact C-N 3.34Å; I760-D762 PolarHBondContact O-N 3.04Å; D762-I764 VanDerWaalsContact C-N 3.33Å; D762-R765 PolarHBondContact O-N 2.98Å; D762-R765 WeakPolarHBondContact OD1-CD 3.2Å; D762-R765 IonicContact OD1-CZ 2.7Å; D762-R765 IonicContact OD1-NE 2.77Å; D762-R765 IonicContact OD1-NH1 1.99Å; D762-R765 PolarHBondContact OD1-NH1 3.45Å; D762-R765 IonicContact OD2-NH1 2.98Å; D762-A766 WeakPolarHBondContact O-CB 3.48Å; D762-A766 PolarHBondContact O-N 3.43Å
763L58.7Low52.3Low113 Ų113104.3 Ų104.359%0.59255%0.552SS**Hα-helixtrans-61.4-42.7166.8-170.378.6000111.2T759 I760 A766 L767T759-L763 PolarHBondContact O-N 2.87Å; I760-L763 WeakPolarHBondContact O-CB 3.28Å; I760-L763 PolarHBondContact O-N 3.09Å; L763-A766 PolarHBondContact O-N 3.5Å; L763-L767 HydrophobicContact CG-CD1 4.43Å; L763-L767 PolarHBondContact O-N 2.9Å
764I55.1Low53.3Low100 Ų100103.2 Ų103.251%0.51356%0.555SS.*Hα-helixtrans-65.2-45.8177.3-68.8166.7000110.7I760 A761 D762 A766 L767 E768I760-I764 HydrophobicContact CG2-CD1 3.95Å; I760-I764 HydrophobicContact CG2-CG1 4.44Å; I760-I764 WeakPolarHBondContact O-CG1 3.35Å; I760-I764 PolarHBondContact O-N 2.82Å; A761-I764 PolarHBondContact O-N 3.3Å; D762-I764 VanDerWaalsContact C-N 3.33Å; I764-A766 VanDerWaalsContact C-N 3.34Å; I764-A766 PolarHBondContact O-N 3.31Å; I764-L767 PolarHBondContact O-N 3.39Å; I764-E768 WeakPolarHBondContact O-CB 3.28Å; I764-E768 PolarHBondContact O-N 2.78Å
765R53.8Low54.4Low148 Ų148101.8 Ų101.856%0.55855%0.546SS*.Hα-helixtrans-59.8-41.1174-70.8168.8-177.1154.8-0.1112.3A761 D762 E768 V769A761-R765 WeakPolarHBondContact O-CG 3.45Å; A761-R765 PolarHBondContact O-N 2.82Å; D762-R765 PolarHBondContact O-N 2.98Å; D762-R765 WeakPolarHBondContact OD1-CD 3.2Å; D762-R765 IonicContact OD1-CZ 2.7Å; D762-R765 IonicContact OD1-NE 2.77Å; D762-R765 IonicContact OD1-NH1 1.99Å; D762-R765 PolarHBondContact OD1-NH1 3.45Å; D762-R765 IonicContact OD2-NH1 2.98Å; R765-E768 PolarHBondContact O-N 2.85Å; R765-V769 WeakPolarHBondContact O-CG2 3.43Å; R765-V769 PolarHBondContact O-N 2.97Å
766A56.7Low55.1Low53 Ų5399.9 Ų99.944%0.43854%0.536SS..Hα-helixtrans-63.7-41.7177.300000111.9D762 L763 I764 V769 V770D762-A766 WeakPolarHBondContact O-CB 3.48Å; D762-A766 PolarHBondContact O-N 3.43Å; L763-A766 PolarHBondContact O-N 3.5Å; I764-A766 VanDerWaalsContact C-N 3.34Å; I764-A766 PolarHBondContact O-N 3.31Å; A766-V769 PolarHBondContact O-N 3Å; A766-V770 WeakPolarHBondContact O-CG2 3.45Å; A766-V770 PolarHBondContact O-N 2.76Å
767L50.6Low55.6Low113 Ų11396.9 Ų96.959%0.59253%0.525SS*.Hα-helixtrans-64.6-40174-78.9163000112.4L763 I764 V770 H771L763-L767 HydrophobicContact CG-CD1 4.43Å; L763-L767 PolarHBondContact O-N 2.9Å; I764-L767 PolarHBondContact O-N 3.39Å; L767-V770 PolarHBondContact O-N 3.25Å; L767-H771 WeakPolarHBondContact O-CB 3.38Å; L767-H771 PolarHBondContact O-N 3.08Å
768E58.4Low56.6Low130 Ų13096.5 Ų96.561%0.60752%0.523SS*.Hα-helixtrans-64.5-40.5175.5-170177.8-159.600112.1I764 R765 H771 T772I764-E768 WeakPolarHBondContact O-CB 3.28Å; I764-E768 PolarHBondContact O-N 2.78Å; R765-E768 PolarHBondContact O-N 2.85Å; E768-H771 PolarHBondContact O-N 3.24Å; E768-T772 WeakPolarHBondContact O-CB 3.44Å; E768-T772 WeakPolarHBondContact O-CG2 3.37Å; E768-T772 PolarHBondContact O-N 3.26Å; E768-T772 PolarHBondContact O-OG1 2.87Å
769V63.2Low56.3Low80 Ų8098.2 Ų98.249%0.48553%0.525SS..Hα-helixtrans-67-43.1174.9170.80000111.9R765 A766 T772 H773R765-V769 WeakPolarHBondContact O-CG2 3.43Å; R765-V769 PolarHBondContact O-N 2.97Å; A766-V769 PolarHBondContact O-N 3Å; V769-T772 WeakPolarHBondContact CA-OG1 3.32Å; V769-T772 PolarHBondContact O-N 3.19Å; V769-T772 PolarHBondContact O-OG1 3.31Å; V769-T772 VanDerWaalsContact O-OG1 3.08Å; V769-H773 PolarHBondContact O-CD2 3.23Å; V769-H773 PolarHBondContact O-N 3.38Å
770V63.8Low55.5Low100 Ų100101 Ų10161%0.60653%0.532SS*.Hα-helixtrans-64.4-41.1175.7169.30000111.4A766 L767 A774A766-V770 WeakPolarHBondContact O-CG2 3.45Å; A766-V770 PolarHBondContact O-N 2.76Å; L767-V770 PolarHBondContact O-N 3.25Å; V770-A774 PolarHBondContact O-N 3.23Å; V770-A774 VanDerWaalsContact O-N 3.13Å
771H50.7Low55.4Low133 Ų133101.5 Ų101.562%0.61653%0.531SS*.Hα-helixtrans-68.5-36.2178.1-167-56.3000112.4L767 E768 V775L767-H771 WeakPolarHBondContact O-CB 3.38Å; L767-H771 PolarHBondContact O-N 3.08Å; E768-H771 PolarHBondContact O-N 3.24Å; H771-V775 WeakPolarHBondContact O-CG2 3.47Å; H771-V775 PolarHBondContact O-N 3.48Å
772T62.5Low55.1Low71 Ų71102.5 Ų102.544%0.43654%0.54SS..Hα-helixtrans-72.3-36.117744.20000112.6E768 V769 V775 L776E768-T772 WeakPolarHBondContact O-CB 3.44Å; E768-T772 WeakPolarHBondContact O-CG2 3.37Å; E768-T772 PolarHBondContact O-N 3.26Å; E768-T772 PolarHBondContact O-OG1 2.87Å; V769-T772 WeakPolarHBondContact CA-OG1 3.32Å; V769-T772 PolarHBondContact O-N 3.19Å; V769-T772 PolarHBondContact O-OG1 3.31Å; V769-T772 VanDerWaalsContact O-OG1 3.08Å; T772-V775 PolarHBondContact O-N 3.47Å; T772-L776 WeakPolarHBondContact O-CG 3.5Å; T772-L776 PolarHBondContact O-N 3.16Å; T772-L776 VanDerWaalsContact O-N 3.12Å
773H49.2Very low54.9Low113 Ų113102.5 Ų102.552%0.52355%0.55SS..Hα-helixtrans-62.3-46171.4-94.3-84.3000112.8V769 V775 L776 D777V769-H773 PolarHBondContact O-CD2 3.23Å; V769-H773 PolarHBondContact O-N 3.38Å; H773-V775 VanDerWaalsContact C-N 3.29Å; H773-V775 PolarHBondContact O-N 3.15Å; H773-L776 PolarHBondContact O-N 3.36Å; H773-L776 VanDerWaalsContact O-N 3.13Å; H773-D777 PolarHBondContact O-N 3.04Å
774A61.9Low54.1Low58 Ų58100.9 Ų100.948%0.47955%0.553SS.*Hα-helixtrans-59.5-38.6179.200000113V770 E778V770-A774 PolarHBondContact O-N 3.23Å; V770-A774 VanDerWaalsContact O-N 3.13Å; A774-E778 PolarHBondContact O-N 2.84Å
775V66Low53.6Low62 Ų62100.2 Ų100.238%0.37656%0.562SS.*Hα-helixtrans-71.1-34.3177171.70000112.1H771 T772 H773 Q779H771-V775 WeakPolarHBondContact O-CG2 3.47Å; H771-V775 PolarHBondContact O-N 3.48Å; T772-V775 PolarHBondContact O-N 3.47Å; H773-V775 VanDerWaalsContact C-N 3.29Å; H773-V775 PolarHBondContact O-N 3.15Å; V775-Q779 PolarHBondContact O-N 2.86Å; V775-Q779 VanDerWaalsContact O-N 3.08Å
776L56Low52.9Low89 Ų8996.2 Ų96.247%0.46657%0.567SS.*Hα-helixtrans-68.5-44.1175.9-75.1167.9000111.9T772 H773 E778 Q779 Q780T772-L776 WeakPolarHBondContact O-CG 3.5Å; T772-L776 PolarHBondContact O-N 3.16Å; T772-L776 VanDerWaalsContact O-N 3.12Å; H773-L776 PolarHBondContact O-N 3.36Å; H773-L776 VanDerWaalsContact O-N 3.13Å; L776-E778 VanDerWaalsContact C-N 3.3Å; L776-E778 PolarHBondContact O-N 3.36Å; L776-Q779 PolarHBondContact O-N 2.98Å; L776-Q780 WeakPolarHBondContact O-CB 3.47Å; L776-Q780 PolarHBondContact O-N 3.43Å
777D56.8Low51.9Low94 Ų9497.2 Ų97.250%0.50358%0.583SS.*Hα-helixtrans-61-38.6176.1-76.1-26.5000111.9H773 Q780 Q781H773-D777 PolarHBondContact O-N 3.04Å; D777-Q780 PolarHBondContact O-N 3.02Å; D777-Q781 VanDerWaalsContact O-CG 3.31Å; D777-Q781 WeakPolarHBondContact O-CG 3.29Å; D777-Q781 PolarHBondContact O-N 3.34Å
778E63.1Low51.3Low142 Ų14296.4 Ų96.466%0.66459%0.592SS**Hα-helixtrans-66.8-39.4176.1-165.6171.8-145.900111.9A774 L776 A782A774-E778 PolarHBondContact O-N 2.84Å; L776-E778 VanDerWaalsContact C-N 3.3Å; L776-E778 PolarHBondContact O-N 3.36Å; E778-A782 WeakPolarHBondContact O-CB 3.46Å; E778-A782 PolarHBondContact O-N 3.25Å
779Q47.9Very low50.2Low129 Ų12995 Ų9560%0.60360%0.603SS**Hα-helixtrans-66.3-39.2171.4-75.7-167.3-33.600112.9V775 L776 Q781 A782 A783V775-Q779 PolarHBondContact O-N 2.86Å; V775-Q779 VanDerWaalsContact O-N 3.08Å; L776-Q779 PolarHBondContact O-N 2.98Å; Q779-Q781 VanDerWaalsContact C-N 3.34Å; Q779-Q781 PolarHBondContact O-N 2.81Å; Q779-A782 PolarHBondContact O-N 3.29Å; Q779-A783 PolarHBondContact O-N 3.2Å
780Q45.5Very low48.6Very low141 Ų14195.4 Ų95.466%0.65962%0.623SS**Hα-helixtrans-65.1-39.4179.7-154.3108.2-900111.1L776 D777 A783 A784L776-Q780 WeakPolarHBondContact O-CB 3.47Å; L776-Q780 PolarHBondContact O-N 3.43Å; D777-Q780 PolarHBondContact O-N 3.02Å; Q780-A783 PolarHBondContact O-N 3.38Å; Q780-A784 PolarHBondContact O-N 3.17Å; Q780-A784 VanDerWaalsContact O-N 3.13Å
781Q47.6Very low47Very low142 Ų14294.6 Ų94.666%0.66464%0.635SS**Hα-helixtrans-69.8-38.1174.7-69.917429.100112.3D777 Q779 A784 A785D777-Q781 VanDerWaalsContact O-CG 3.31Å; D777-Q781 WeakPolarHBondContact O-CG 3.29Å; D777-Q781 PolarHBondContact O-N 3.34Å; Q779-Q781 VanDerWaalsContact C-N 3.34Å; Q779-Q781 PolarHBondContact O-N 2.81Å; Q781-A784 PolarHBondContact O-N 3.06Å; Q781-A785 PolarHBondContact O-N 3.4Å
782A43.9Very low45.9Very low69 Ų6992.4 Ų92.457%0.5765%0.649SS**Hα-helixtrans-63.5-39.8173.200000112.4E778 Q779 A785 G786E778-A782 WeakPolarHBondContact O-CB 3.46Å; E778-A782 PolarHBondContact O-N 3.25Å; Q779-A782 PolarHBondContact O-N 3.29Å; A782-A785 PolarHBondContact O-N 3.46Å; A782-G786 PolarHBondContact O-N 3.34Å
783A42.2Very low44.3Very low72 Ų7292.5 Ų92.560%0.59566%0.663SS**Hα-helixtrans-64.6-41.4175.900000112.3Q779 Q780 A785 G786Q779-A783 PolarHBondContact O-N 3.2Å; Q780-A783 PolarHBondContact O-N 3.38Å; A783-A785 VanDerWaalsContact C-N 3.28Å; A783-A785 PolarHBondContact O-N 3.2Å; A783-G786 PolarHBondContact O-N 3.27Å; A783-G786 VanDerWaalsContact O-N 3.14Å
784A42.1Very low43.4Very low80 Ų8095.4 Ų95.466%0.66168%0.681SS**Hα-helixtrans-61.5-33.5177.100000113.1Q780 Q781 G786Q780-A784 PolarHBondContact O-N 3.17Å; Q780-A784 VanDerWaalsContact O-N 3.13Å; Q781-A784 PolarHBondContact O-N 3.06Å; A784-G786 VanDerWaalsContact C-N 3.34Å
785A43.6Very low41.8Very low85 Ų8598.5 Ų98.570%0.70270%0.699SS**Hα-helixtrans-73.6-21.9176.600000113.9Q781 A782 A783Q781-A785 PolarHBondContact O-N 3.4Å; A782-A785 PolarHBondContact O-N 3.46Å; A783-A785 VanDerWaalsContact C-N 3.28Å; A783-A785 PolarHBondContact O-N 3.2Å
786G38.7Very low40.1Very low65 Ų65107.8 Ų107.867%0.6773%0.727SS**Hα-helixtrans-82.9-17.1-177.700000115.4A782 A783 A784 A788A782-G786 PolarHBondContact O-N 3.34Å; A783-G786 PolarHBondContact O-N 3.27Å; A783-G786 VanDerWaalsContact O-N 3.14Å; A784-G786 VanDerWaalsContact C-N 3.34Å; G786-A788 PolarHBondContact O-N 3.02Å
787G35.7Very low38.8Very low74 Ų74107.5 Ų107.576%0.76375%0.745SS**SBendtrans-80.4-2.8-17000000116.8
788A37.4Very low37.7Very low96 Ų96108.8 Ų108.879%0.79376%0.762SS**SBendtrans-11536-162.500000115.3G786G786-A788 PolarHBondContact O-N 3.02Å
789A37.3Very low36.1Very low101 Ų101114 Ų11484%0.83578%0.775SS**  trans-149.388.2176.900000113.3
790G28.9Very low35.5Very low88 Ų88117.8 Ų117.891%0.90779%0.79SS**  trans-173.79217600000116.5
791G29.1Very low34.8Very low83 Ų83120.2 Ų120.286%0.85680%0.802SS**  trans125.7143.8157.700000117.3
792G28.9Very low33.9Very low87 Ų87125.2 Ų125.290%0.89781%0.814SS**  trans92.1107.3164.400000115.9
793G27.8Very low33.3Very low72 Ų72132 Ų13274%0.74283%0.831SS**  trans-121.3-178-17600000116.2
794I30.2Very low32.9Very low175 Ų175137.5 Ų137.590%0.89785%0.847SS**  trans72.6107.6163-48.9175.7000117.6
795S28.2Very low32.6Very low122 Ų122137.3 Ų137.385%0.85385%0.852SS**  -167164.2125.749.80000111.6
796R31.1Very low32.1Very low258 Ų258141.1 Ų141.197%0.97486%0.861SS**  trans-87141.2179.1-76172.1163.2168.1-7.1111.1
797G28Very low32Very low82 Ų82142.6 Ų142.685%0.84587%0.867SS**  trans-168.8122.4164.900000112.2
798S34Very low31.8Very low122 Ų122142.6 Ų142.685%0.85387%0.867SS**  trans-99.9128179.554.40000111.7
799R29.3Very low31.7Very low250 Ų250146.1 Ų146.194%0.94387%0.871SS**  trans-153.9127.1156.1-118.4170.1-174173.92111.5
800K35.7Very low31.7Very low209 Ų209148.6 Ų148.691%0.90987%0.865SS**  trans-75.4133.9165.2-64.7175.4179.7175.30107.9
801Q31Very low32.2Very low193 Ų193149.2 Ų149.290%0.90285%0.854SS**  trans-126.6151.3156.6-103.9-172.1-11.700110.5
802R29Very low32.5Very low247 Ų247151 Ų15193%0.93285%0.85SS**  trans-78.3129.8-168.4-68.8171.8169.8162.3-6.2110.2M804R802-M804 PolarHBondContact O-N 3.14Å; R802-M804 VanDerWaalsContact O-N 3.08Å
803K31.6Very low33Very low212 Ų212153.5 Ų153.592%0.92284%0.838SS**  trans-79.289.9172.9-166.5173.8-173.6177.90109.4
804M32.4Very low33.4Very low187 Ų187157.7 Ų157.792%0.92184%0.843SS**  trans-66.5130.4172.2-145.1162.5-172.600108.6R802R802-M804 PolarHBondContact O-N 3.14Å; R802-M804 VanDerWaalsContact O-N 3.08Å
805G36.6Very low33.9Very low76 Ų76153.8 Ų153.878%0.78483%0.829SS**  trans-75.4140.3-177.500000111.6
806N32.1Very low34.9Very low164 Ų164150.1 Ų150.188%0.87780%0.803SS**  trans-131.8102.8168.8-159.55.5000109G808N806-G808 PolarHBondContact O-N 2.85Å
807A38.4Very low35.7Very low97 Ų97140.4 Ų140.480%0.80277%0.769SS**  trans-93.289.1-177.500000109.9
808G30.6Very low36.4Very low73 Ų73138.8 Ų138.875%0.75374%0.741SS**PPolyproline II helixtrans-78.7126.9170.500000111N806 E810N806-G808 PolarHBondContact O-N 2.85Å; G808-E810 PolarHBondContact O-N 3.48Å
809L36Very low37Very low171 Ų171135.6 Ų135.690%0.89572%0.719SS**PPolyproline II helixtrans-76.1116.1-178.4-70.5137.3000111.5
810E36Very low37.7Very low152 Ų152129.8 Ų129.871%0.7171%0.706SS**PPolyproline II helixtrans-73.9134.3158-135.8-164.6158.100108.5G808G808-E810 PolarHBondContact O-N 3.48Å
811P39.4Very low38.3Very low102 Ų102126.6 Ų126.666%0.66269%0.692SS**PPolyproline II helixtrans-68.4142.1172.128.5-34.4000110.5Q813P811-Q813 PolarHBondContact O-N 2.88Å
812P36.5Very low38.8Very low121 Ų121120.2 Ų120.279%0.78667%0.673SS**PPolyproline II helixtrans-63.9126-176.425.2-34000111.7L814P812-L814 PolarHBondContact O-N 3.42Å
813Q39.8Very low39.3Very low138 Ų138111.2 Ų111.265%0.64566%0.656SS**  trans-66.4104.8178.5-65.3-174.418.400110.8P811P811-Q813 PolarHBondContact O-N 2.88Å
814L34.7Very low39.7Very low160 Ų160106.3 Ų106.384%0.83864%0.64SS**PPolyproline II helixtrans-65140.9171.1-68.6172.1000110.6P812P812-L814 PolarHBondContact O-N 3.42Å
815P42.1Very low40.2Very low94 Ų94105.6 Ų105.661%0.6164%0.635SS**PPolyproline II helixtrans-69.9150.8-179.429.1-35.1000112.2
816P47.7Very low40.7Very low45 Ų45106.1 Ų106.129%0.29262%0.623SS.*PPolyproline II helixtrans-66.9150.4-179.628.5-35000112.3A274 L818 S819A274-P816 HydrophobicContact CB-CB 4.29Å; P816-L818 PolarHBondContact O-N 3.1Å; P816-S819 PolarHBondContact O-N 3.01Å; P816-S819 PolarHBondContact O-OG 3.33Å
817I47.8Very low41.2Very low53 Ų53106.5 Ų106.527%0.27261%0.612SS.*THydrogen-bonded Turntrans-56.1-25.1-165.4-60.3149.5000114.2
818L44.5Very low41.3Very low48 Ų48106.8 Ų106.825%0.25160%0.604SS.*THydrogen-bonded Turntrans-96.22.2-176-65.4173000114.7M1 L268 Q269 P816 L820 F821M1-L818 HydrophobicContact CE-CD2 4.09Å; L268-L818 HydrophobicContact CB-CD1 3.83Å; Q269-L818 HydrophobicContact CG-CB 3.83Å; Q269-L818 PolarHBondContact NE2-O 3.44Å; P816-L818 PolarHBondContact O-N 3.1Å; L818-L820 PolarHBondContact O-N 3.06Å; L818-F821 HydrophobicContact CD2-CD2 4.36Å; L818-F821 HydrophobicContact CD2-CE2 4.1Å
819S46.1Very low41.9Very low55 Ų55109.3 Ų109.339%0.38560%0.599SS.*G310 helixtrans-70-8.5173.172.40000113.5P816 F821P816-S819 PolarHBondContact O-N 3.01Å; P816-S819 PolarHBondContact O-OG 3.33Å; S819-F821 PolarHBondContact O-N 2.79Å
820L42.6Very low42.3Very low128 Ų128108.2 Ų108.267%0.6759%0.59SS**G310 helixtrans-78.62.5-177.8-109.2169.5000114.9L818L818-L820 PolarHBondContact O-N 3.06Å
821F48.3Very low42.5Very low142 Ų142104.1 Ų104.162%0.62358%0.581SS**G310 helixtrans-109.77.5177.7-64.1-75.6000113.6M1 L818 S819M1-F821 HydrophobicContact CE-CE2 4.18Å; M1-F821 HydrophobicContact CE-CZ 4.42Å; M1-F821 HydrophobicContact SD-CZ 4.4Å; L818-F821 HydrophobicContact CD2-CD2 4.36Å; L818-F821 HydrophobicContact CD2-CE2 4.1Å; S819-F821 PolarHBondContact O-N 2.79Å
822A42.3Very low42.4Very low60 Ų60102.2 Ų102.250%0.49657%0.574SS.*SBendtrans-99.1122.1174.100000110.4
823G40.5Very low42.5Very low57 Ų5799.3 Ų99.359%0.58856%0.56SS**  trans-66.1149.3179.400000113.8Q825 T826G823-Q825 PolarHBondContact O-N 3.15Å; G823-T826 PolarHBondContact O-OG1 3.34Å
824D39.1Very low42.5Very low110 Ų11096.1 Ų96.159%0.58856%0.558SS**THydrogen-bonded Turntrans-63.6-11.2-167.8-103.7-40.4000115.8T826 R827D824-T826 PolarHBondContact O-N 3.2Å; D824-R827 PolarHBondContact O-N 3.17Å; D824-R827 VanDerWaalsContact O-N 3.15Å; D824-R827 WeakPolarHBondContact OD1-CD 3.33Å; D824-R827 IonicContact OD1-CZ 3.24Å; D824-R827 IonicContact OD1-NE 3.05Å; D824-R827 IonicContact OD1-NH1 2.93Å; D824-R827 PolarHBondContact OD1-NH1 2.91Å
825Q43.6Very low42.5Very low172 Ų17295.7 Ų95.780%0.80456%0.557SS**Hα-helixtrans-59.5-17.7179.5-67.6-166.6-0.300114.2G823 T828G823-Q825 PolarHBondContact O-N 3.15Å; Q825-T828 PolarHBondContact O-OG1 3.06Å
826T45.9Very low42.4Very low86 Ų86101.4 Ų101.453%0.52857%0.566SS.*Hα-helixtrans-78.7-26.2178.753.30000114G823 D824 Q830G823-T826 PolarHBondContact O-OG1 3.34Å; D824-T826 PolarHBondContact O-N 3.2Å; T826-Q830 PolarHBondContact O-N 3.23Å
827R43.6Very low41.8Very low173 Ų173106.5 Ų106.565%0.65359%0.59SS**Hα-helixtrans-70.2-39.4-176.3-91.4162.7153.7174.3-5.7113.4D824 L829 Q830 A831D824-R827 PolarHBondContact O-N 3.17Å; D824-R827 VanDerWaalsContact O-N 3.15Å; D824-R827 WeakPolarHBondContact OD1-CD 3.33Å; D824-R827 IonicContact OD1-CZ 3.24Å; D824-R827 IonicContact OD1-NE 3.05Å; D824-R827 IonicContact OD1-NH1 2.93Å; D824-R827 PolarHBondContact OD1-NH1 2.91Å; R827-L829 VanDerWaalsContact C-N 3.33Å; R827-L829 PolarHBondContact O-N 3.03Å; R827-Q830 PolarHBondContact O-N 3.32Å; R827-A831 PolarHBondContact O-N 3.44Å
828T40.8Very low41.4Very low102 Ų102115.4 Ų115.463%0.62662%0.622SS**Hα-helixtrans-65.7-36.8179.653.60000111.9Q825 A832Q825-T828 PolarHBondContact O-OG1 3.06Å; T828-A832 PolarHBondContact O-N 3.06Å
829L42.5Very low40.8Very low127 Ų127117.1 Ų117.167%0.66564%0.643SS**Hα-helixtrans-69.7-37.9176.8-71.1172.3000112.9R827 A832 A833R827-L829 VanDerWaalsContact C-N 3.33Å; R827-L829 PolarHBondContact O-N 3.03Å; L829-A832 PolarHBondContact O-N 2.95Å; L829-A833 PolarHBondContact O-N 3.49Å; L829-A833 VanDerWaalsContact O-N 3.1Å
830Q44.5Very low40Very low148 Ų148126 Ų12669%0.69267%0.668SS**Hα-helixtrans-68.2-38.2175.7-85.3-173.5-31.900112.8T826 R827 A832 A833 A834T826-Q830 PolarHBondContact O-N 3.23Å; R827-Q830 PolarHBondContact O-N 3.32Å; Q830-A832 VanDerWaalsContact C-N 3.32Å; Q830-A832 PolarHBondContact O-N 2.92Å; Q830-A833 PolarHBondContact O-N 2.63Å; Q830-A834 PolarHBondContact O-N 2.65Å
831A40.5Very low39.5Very low65 Ų65130.1 Ų130.154%0.53768%0.675SS.*Hα-helixtrans-61-40.6173.300000112.1R827 A833R827-A831 PolarHBondContact O-N 3.44Å; A831-A833 VanDerWaalsContact C-N 3.33Å; A831-A833 PolarHBondContact O-N 2.93Å
832A37.5Very low38.6Very low62 Ų62128.7 Ų128.751%0.51268%0.683SS.*Hα-helixtrans-69-27.1176.200000113.8T828 L829 Q830T828-A832 PolarHBondContact O-N 3.06Å; L829-A832 PolarHBondContact O-N 2.95Å; Q830-A832 VanDerWaalsContact C-N 3.32Å; Q830-A832 PolarHBondContact O-N 2.92Å
833A38.9Very low38.2Very low60 Ų60131.4 Ų131.450%0.49669%0.693SS.*Hα-helixtrans-76.6-36.2179.500000113.2L829 Q830 A831 N835 R836L829-A833 PolarHBondContact O-N 3.49Å; L829-A833 VanDerWaalsContact O-N 3.1Å; Q830-A833 PolarHBondContact O-N 2.63Å; A831-A833 VanDerWaalsContact C-N 3.33Å; A831-A833 PolarHBondContact O-N 2.93Å; A833-N835 VanDerWaalsContact C-N 3.3Å; A833-N835 PolarHBondContact O-N 3.12Å; A833-R836 PolarHBondContact O-N 3.46Å
834A38Very low37.7Very low72 Ų72136.9 Ų136.960%0.59571%0.707SS**Hα-helixtrans-59.7-38.9-179.100000112.7Q830 R836Q830-A834 PolarHBondContact O-N 2.65Å; A834-R836 PolarHBondContact O-N 3.17Å
835N36.4Very low37.2Very low151 Ų151138.6 Ų138.681%0.80772%0.721SS**THydrogen-bonded Turntrans-77.516.9-178.1-71.7-13.6000114.7A833A833-N835 VanDerWaalsContact C-N 3.3Å; A833-N835 PolarHBondContact O-N 3.12Å
836R39.2Very low36.5Very low213 Ų213133.5 Ų133.580%0.80472%0.715SS**THydrogen-bonded Turntrans-117.45.3-179.8-82.5-171.5168.6-173.5-1.7116.2A833 A834A833-R836 PolarHBondContact O-N 3.46Å; A834-R836 PolarHBondContact O-N 3.17Å
837L35.8Very low35.7Very low152 Ų152137.8 Ų137.880%0.79673%0.732SS**SBendtrans-111.915.3-177.1-69.1176.9000115.9
838Y38.4Very low35.1Very low240 Ų240134 Ų13494%0.94173%0.733SS**SBendtrans-126.458.1170.6-88.6-79.7000112.9
839A32.4Very low35.2Very low85 Ų85135 Ų13570%0.70274%0.741SS**  trans-155.2136.7163.600000111.3
840R29.9Very low34.7Very low240 Ų240135.4 Ų135.491%0.90675%0.749SS**  trans70.6140.2179.6-58.6-177.4170.2-157.3-3.8114.6
841R30.3Very low33.9Very low216 Ų216132.2 Ų132.282%0.81576%0.755SS**  cis-152.8134.9-3.5-154.2178.6-179.5-177-1111
842S30.6Very low33.3Very low112 Ų112132.9 Ų132.978%0.78377%0.768SS**  trans-132.5126.4155.952.70000108.4
843T33.3Very low32.8Very low116 Ų116134.9 Ų134.971%0.71279%0.785SS**  trans172.8121.4162.8160000109.1
844I30.8Very low32.4Very low173 Ų173136.2 Ų136.289%0.88780%0.796SS**  trans-136.4119.6169-63173.7000105.9
845V28.4Very low31.9Very low145 Ų145139.8 Ų139.888%0.87981%0.811SS**  trans-151.5138.8172.5-174.80000109.7
846G28Very low31.5Very low65 Ų65137 Ų13767%0.6781%0.809SS**  trans106.8142.7162.800000115.4
847I30Very low31.8Very low176 Ų176132.5 Ų132.590%0.90381%0.807SS**  cis-143.5156.6-3-54.4-179.9000109
848S31Very low31.5Very low95 Ų95129.8 Ų129.866%0.66481%0.807SS**  trans-76.6175.5174.5-175.80000112.6
849P43.6Very low31Very low122 Ų122122.3 Ų122.379%0.79279%0.794SS**  -138.7167.8103.139.4-28.9000116.2
850T30.1Very low31Very low136 Ų136130 Ų13083%0.83481%0.805SS**  trans-68.7162.6168.448.80000112.6
851G27.8Very low31Very low80 Ų80122.9 Ų122.983%0.82579%0.792SS**  cis147.7145.4-100000111.1
852G27.8Very low30.9Very low79 Ų79120 Ų12081%0.81479%0.793SS**  trans163126.6173.800000118.3
853A28.8Very low30.9Very low105 Ų105121.8 Ų121.887%0.86879%0.792SS**  trans59114.5149.600000123.6
854A28.9Very low30.9Very low87 Ų87124.6 Ų124.672%0.71980%0.797SS**  91.3137.9123.800000123.6
855T29Very low32.2Very low147 Ų147121.9 Ų121.990%0.90279%0.791SS**  trans71.6143.1161.456.10000121.3
856A26.6Very low33.9Very low94 Ų94120.2 Ų120.278%0.77778%0.783SS**  trans-131.7-172.8170.800000106.8
857P46.6Very low34.9Very low117 Ų117123.3 Ų123.376%0.7679%0.792SS**  cis-137.2-167.2-0.243.1-24.7000114.7
858A28.4Very low34.9Very low96 Ų96120.2 Ų120.279%0.79379%0.786SS**  trans68.6161.4153.100000120
859A29.4Very low34.9Very low82 Ų82125.7 Ų125.768%0.67879%0.793SS**  cis-171.6152.1-33.800000111.6
860R30.6Very low34.7Very low246 Ų246125.5 Ų125.593%0.92879%0.79SS**  trans63.8162.3154.1-74.6174.8176167.9-2.3117.9
861S30Very low34.8Very low91 Ų91125.3 Ų125.364%0.63678%0.78SS**  cis-174145.1-20.652.50000114.4
862L28.4Very low35Very low157 Ų157131.6 Ų131.682%0.82278%0.779SS**  trans73.5141.9145-64.4161.7000124.9
863L31.5Very low35Very low148 Ų148131.9 Ų131.978%0.77577%0.773SS**  trans63.4104148.9-91.971.5000125.8
864E33Very low35.2Very low175 Ų175130.9 Ų130.982%0.81877%0.765SS**  28.6150.696.8-152.7165.7-167.500122.1
865P59.2Low35.3Very low116 Ų116132.9 Ų132.975%0.75376%0.763SS**  cis-133.3-126.4-27.943.3-21.9000117.5
866P64.1Low35.4Very low111 Ų111134 Ų13472%0.72176%0.758SS**  trans-121.6-167.2-147.643.3-19.4000116.6
867P48.7Very low35.6Very low130 Ų130134.1 Ų134.184%0.84475%0.754SS**  -154.9-129.887.142.2-18.1000116.8
868S29Very low34.8Very low111 Ų111136.7 Ų136.778%0.77676%0.755SS**  trans-160.1163.2-150.660.40000120.7
869Y31.8Very low34.9Very low210 Ų210139 Ų13982%0.82475%0.753SS**  trans103.2168.4141.4-156.1-106.6000123.1
870T39Very low34.8Very low118 Ų118141.3 Ų141.372%0.72476%0.759SS**  trans91.5143.7177.169.60000117.2
871E33.1Very low34.8Very low132 Ų132134.9 Ų134.962%0.61776%0.758SS**  cis-152.2-172.1-1.6-138.3-166.217000108.9
872R31.2Very low34.9Very low212 Ų212133.9 Ų133.980%0.876%0.763SS**  cis-152.5-165.9-1.1-147.4165.8-171.2127.7-3.5105.6
873A28.3Very low35.9Very low84 Ų84132.2 Ų132.269%0.69476%0.761SS**  cis-155173.5-2.700000106.1
874A32.4Very low35.9Very low84 Ų84130.1 Ų130.169%0.69476%0.759SS**  cis81.213122.200000116.9
875N32Very low35.8Very low130 Ų130129.1 Ų129.170%0.69576%0.759SS**  cis-169.7149.7-11.8-117-2.8000114.8
876Q31Very low34.6Very low169 Ų169128 Ų12879%0.7976%0.76SS**  trans60.2160.5143.9-70.5168.8-6.300120.9
877S29.8Very low33.5Very low98 Ų98128.6 Ų128.669%0.68576%0.764SS**  cis-170.7158.2-12.947.80000114.9
878Q29Very low32.7Very low170 Ų170128.9 Ų128.979%0.79476%0.763SS**  trans80.7133.8146.2-85.6-175.1-7.500126.4
879I30.5Very low32.9Very low146 Ų146130 Ų13075%0.74977%0.765SS**  trans89.5161.5140.3-68.2167.2000121
880T28.7Very low32.9Very low130 Ų130127.2 Ų127.280%0.79876%0.759SS**  trans-100149.4-140.350.10000119.4
881A29.7Very low32.7Very low110 Ų110125.5 Ų125.591%0.90975%0.752SS**  trans-171.2165.7133.800000112.2
882G31.6Very low32.9Very low71 Ų71127.2 Ų127.273%0.73276%0.757SS**  trans-123.2-164.3175.200000112.9
883P49.8Very low32.9Very low122 Ų122124.9 Ų124.979%0.79275%0.753SS**  cis-141.2-176.619.643.8-25.8000118.1
884S32Very low33.2Very low103 Ų103130.2 Ų130.272%0.7276%0.755SS**  trans108.9120.2148.577.10000121.9
885N30.1Very low33.3Very low154 Ų154136 Ų13682%0.82476%0.759SS**  trans67.177.7142.6-58.2-2.1000123
886A34.4Very low33.5Very low93 Ų93139.5 Ų139.577%0.76976%0.763SS**  40.8157.9116.400000123.6
887P42.3Very low33.5Very low124 Ų124140.1 Ų140.181%0.80576%0.763SS**  cis-120.7170.6-8.536.3-19.9000114.8
888T30.2Very low33.6Very low135 Ų135140.3 Ų140.383%0.82877%0.765SS**  trans-155.4-180-163.3-17.60000116
889V33.8Very low33.6Very low134 Ų134138.9 Ų138.981%0.81277%0.767SS**  trans75.3117.5178.8-172.70000115.2
890Q31.5Very low33.5Very low153 Ų153142.9 Ų142.972%0.71577%0.773SS**  cis96.333.12.5-92-69.31.300122.2
891S36.1Very low34.8Very low81 Ų81141.8 Ų141.857%0.56677%0.768SS**  trans68.2152147.376.20000122.2
892K36.7Very low34.8Very low169 Ų169144 Ų14474%0.73577%0.77SS**  trans136.3141.6133.5-77.7146.6-174.5160.50119.7
893F30.9Very low34.7Very low162 Ų162144.8 Ų144.871%0.71177%0.77SS**  trans66130.7147.2-86.2-132000120.9
894R34.8Very low33.9Very low196 Ų196146 Ų14674%0.7477%0.769SS**  76.5129.366.3-116-174.5179.6-161.42.3112.6
895R34.3Very low34Very low205 Ų205148.5 Ų148.577%0.77477%0.769SS**  cis-158.7144.731.4-47.2171.2-173.5-173.71.4115.3
896R36.8Very low33.9Very low204 Ų204148.4 Ų148.477%0.7777%0.767SS**  trans57.8151.3135.8-66.8-178.9174.7-91.81.8125.3
897F31.3Very low34.5Very low183 Ų183149.3 Ų149.380%0.80377%0.765SS**  trans78.2144.7163.7-59.3-67.9000117
898S30.2Very low34.5Very low102 Ų102149.5 Ų149.571%0.71377%0.766SS**  cis-164.3146.1-6.344.60000114.7
899V31Very low34.5Very low140 Ų140146.5 Ų146.585%0.84876%0.763SS**  trans63.8124.5149-179.10000122.8
900R27.1Very low34.4Very low230 Ų230149.8 Ų149.887%0.86877%0.769SS**  trans-32.3-179.7157.1-72.3-178.8172.1176-2.4119.4
901P56.9Low34.2Very low107 Ų107146.7 Ų146.770%0.69577%0.77SS**  cis-145.4163.8-44.941.2-24.2000115.9
902T28.6Very low34.7Very low155 Ų155148.5 Ų148.595%0.95178%0.78SS**  trans-166.6172.6153.614.30000112
903A30.4Very low35.5Very low88 Ų88145.6 Ų145.673%0.72778%0.778SS**  trans-149.8153.5176.600000112.3
904L33.2Very low36.1Very low148 Ų148144 Ų14478%0.77578%0.784SS**  trans167.1141.6141.2-90.5160.5000113.2
905Q32.6Very low36Very low156 Ų156138 Ų13873%0.72978%0.783SS**  trans49.5123.3150.7-77.6152.8-15.800121.5
906I29.8Very low35.9Very low151 Ų151133.3 Ų133.377%0.77479%0.788SS**  79.9138.565.2-76.9174.2000113.1
907P46.3Very low35.6Very low113 Ų113128.8 Ų128.873%0.73479%0.788SS**  cis-126.8-134.7-24.439.1-17.3000109.1
908P42.5Very low35.6Very low127 Ų127126.8 Ų126.883%0.82579%0.785SS**  cis-119.7-167-31.338.7-20.2000113.4
909G29.9Very low35.8Very low73 Ų73128.9 Ų128.975%0.75379%0.785SS**  trans-126-174.5-175.600000116.3
910Q32Very low35.7Very low202 Ų202128.4 Ų128.494%0.94477%0.774SS**  trans-147.2167.9179.6-86.3179.4-1900112.3
911A27.6Very low35.9Very low88 Ų88125.3 Ų125.373%0.72777%0.769SS**  trans-131.5-154.5172.300000107.5
912P46.4Very low34.6Very low120 Ų120124.5 Ų124.578%0.77977%0.766SS**  cis-129-104.3-1322.44.2000118.1
913P54Low34.7Very low108 Ų108122.1 Ų122.170%0.70176%0.756SS**  -121.5-152.8-124.444.3-24.3000112.8
914P43.5Very low34.8Very low128 Ų128126.4 Ų126.483%0.83176%0.76SS**  cis-138.5-167.8-344.3-24.8000116.7
915G30.9Very low34.8Very low70 Ų70125 Ų12572%0.72276%0.758SS**  trans132.175.9161.300000114.7
916A34Very low34.8Very low106 Ų106121.3 Ų121.388%0.87676%0.755SS**  67.6129.680.200000113.2
917S30Very low34.8Very low110 Ų110121.3 Ų121.377%0.76976%0.755SS**  cis-151.4172.734.853.80000111.9
918L31.8Very low34.1Very low141 Ų141122.1 Ų122.174%0.73875%0.749SS**  cis-162.7148.6-12.6-114.8170.4000111.1
919M33.3Very low33.5Very low146 Ų146125.1 Ų125.172%0.71974%0.744SS**  trans62.1148.9148.5-94.2164.6171.800121.6
920E29.8Very low33.6Very low130 Ų130131.7 Ų131.761%0.60775%0.746SS**  cis-154.9139-0-161.6152.4-159.500115.1
921Q31.3Very low33.3Very low164 Ų164128.1 Ų128.177%0.76673%0.733SS**  trans50.3155.6150.4-71.6-175.659.400122.9
922S29.3Very low33.3Very low91 Ų91128.4 Ų128.464%0.63673%0.73SS**  cis-155.6161.50.238.60000113.6
923S30.9Very low32.4Very low105 Ų105130.8 Ų130.873%0.73474%0.735SS**  trans59.2129.8161430000119.9
924Q32.3Very low31.4Very low177 Ų177137 Ų13783%0.82774%0.744SS**  cis73.9138.438.6-58.8-166.38.600113.8
925T32.9Very low31.1Very low119 Ų119136.7 Ų136.773%0.7374%0.742SS**  cis-163.2158.85.82.20000114.5
926A31.6Very low31.1Very low79 Ų79138.3 Ų138.365%0.65374%0.743SS**  trans71.7122.1133.300000124.8
927L29.9Very low31.9Very low150 Ų150138.3 Ų138.379%0.78573%0.734SS**  83.1118.9129.5-66.5170.8000123.6
928Q32.4Very low31.8Very low131 Ų131141.1 Ų141.161%0.61274%0.739SS**  94.7110.2126.7-80.1-171.543.400123.7
929R30.3Very low31.6Very low190 Ų190138.7 Ų138.772%0.71774%0.74SS**  97.7106.8108.7-168.7-166.8-66-149.20.1119.5
930R30.3Very low31.5Very low211 Ų211141.9 Ų141.980%0.79674%0.744SS**  trans84.7132.7142.5-81-179.1170.5-131.6-0.7122.1
931L27.3Very low31.4Very low127 Ų127141.8 Ų141.867%0.66574%0.743SS**  trans70.497.8133.1-68.7172000121.8
932S27.5Very low31.3Very low94 Ų94140.6 Ų140.666%0.65774%0.742SS**  77.1153.2113.975.80000122.3
933L28Very low31.3Very low170 Ų170141.1 Ų141.189%0.8975%0.745SS**  trans83.9130.8162.8-57.9174.3000119.5
934R32Very low32.3Very low238 Ų238141.4 Ų141.490%0.89875%0.745SS**  trans-66.8164.2157.3-95.2177.3172.2170.2-3.1110
935P37.7Very low32.1Very low122 Ų122140.2 Ų140.279%0.79275%0.749SS**  cis-147.1-169.539.142.2-20.9000117.2
936S31.5Very low32.1Very low104 Ų104140 Ų14073%0.72775%0.753SS**  trans-90.8-173.6161.759.30000110.5
937P49.6Very low33.3Very low106 Ų106141.7 Ų141.769%0.68876%0.757SS**  cis-142.7-171.12.542.8-22.5000117.3
938L28.1Very low34.3Very low168 Ų168140.8 Ų140.888%0.8876%0.76SS**  trans69109.3144.9-85.8164.3000124.5
939A27.7Very low34.4Very low91 Ų91138.3 Ų138.375%0.75277%0.77SS**  trans-171.7142.9139.500000107.7
940R32Very low34.5Very low212 Ų212133.2 Ų133.280%0.878%0.776SS**  cis77.1121.943-160.9170.7-173147.917.8111.1
941E27.6Very low34.7Very low129 Ų129129.4 Ų129.460%0.60378%0.782SS**  cis-158.2165.813-134.7156.5-169.500113.8
942L29.1Very low35Very low139 Ų139126.8 Ų126.873%0.72879%0.786SS**  trans36.4106.6148.4-75163.5000124.5
943S28.2Very low35.3Very low102 Ų102128.1 Ų128.171%0.71380%0.796SS**  59.1178.9121.870.50000122.2
944P52.2Low35.5Very low111 Ų111124.9 Ų124.972%0.72179%0.793SS**  -132.2170.9-72.941.3-25.9000114.5
945T27.7Very low35.5Very low151 Ų151121.5 Ų121.593%0.92679%0.792SS**  trans-163.6168.5155.3-3.60000112.3
946S32.6Very low36.2Very low115 Ų115121.1 Ų121.180%0.80479%0.789SS**  trans-144-162.9-163.673.20000112.7
947P57.4Low36.2Very low114 Ų114121 Ų12174%0.7479%0.794SS**  trans-129.8-173.1-130.740.4-19.1000116.7
948P51.1Low35.2Very low131 Ų131119 Ų11985%0.85179%0.794SS**  trans-132.7166149.238.4-25.9000113.2
949G34.8Very low35.4Very low80 Ų80115.8 Ų115.883%0.82579%0.791SS**  cis158.2143.8-9.600000114
950G33.2Very low35.6Very low82 Ų82118.8 Ų118.885%0.84579%0.793SS**  trans106147.3168.700000116.6
951S34.5Very low35.5Very low131 Ų131116.1 Ų116.192%0.91680%0.795SS**  cis-159.1153.3-3.854.90000114
952G32.9Very low35.7Very low73 Ų73118.1 Ų118.175%0.75380%0.804SS**  trans104167.9173.800000115.8
953S34.2Very low35.6Very low122 Ų122117.3 Ų117.385%0.85381%0.81SS**  cis-170.2158.9-17.447.40000112.7
954A31.8Very low35.6Very low101 Ų101116.5 Ų116.584%0.83582%0.817SS**  trans64.5145.2165.500000121.1
955L32.1Very low34.3Very low167 Ų167114.4 Ų114.487%0.87482%0.816SS**  trans-155.6177.6-170.3-93.2171.5000107.9
956P52.3Low34.3Very low114 Ų114113.5 Ų113.574%0.7481%0.811SS**  cis-144.6170.622.843.8-24.4000119.8
957A32Very low34.2Very low101 Ų101113.3 Ų113.384%0.83581%0.809SS**  trans38.9149.714000000123.1
958G28.8Very low32.9Very low65 Ų65112 Ų11267%0.6781%0.808SS**  cis-162.3154.10.100000110.5
959A31.1Very low32Very low100 Ų100113.7 Ų113.783%0.82680%0.804SS**  71.4139.383.600000112.7
960I32Very low31.6Very low154 Ų154119.6 Ų119.679%0.7980%0.802SS**  cis-147.6145.617.6-57.3160.9000108.7
961D29.8Very low31.4Very low157 Ų157123.1 Ų123.184%0.8480%0.8SS**  177.7162.4116.6-123.6-40.1000115.1
962E31.4Very low31.2Very low170 Ų170124 Ų12479%0.79479%0.794SS**  trans-117.9160.7-172.2-71-162.5115.400115.9
963S28.2Very low31.9Very low123 Ų123126.7 Ų126.786%0.8680%0.798SS**  trans81.5150.1144.683.20000120.9
964G27.1Very low31.9Very low84 Ų84127.6 Ų127.687%0.86679%0.793SS**  trans82.6134.9168.300000116
965G25.9Very low32.6Very low67 Ų67128.7 Ų128.769%0.69179%0.791SS**  cis160137.5-7.500000112.8
966T27.9Very low32.7Very low133 Ų133125.3 Ų125.382%0.81679%0.787SS**  trans4899157.250.70000120.1
967S30.6Very low31.7Very low111 Ų111123.3 Ų123.378%0.77679%0.787SS**  32.4132.8122.862.10000121.5
968A30.2Very low31.6Very low85 Ų85125.6 Ų125.670%0.70279%0.791SS**  172.6144.810300000116.2
969Q30.3Very low31.8Very low167 Ų167133.1 Ų133.178%0.7880%0.799SS**  trans69138141.2-77.4-174.44900124.3
970R28.3Very low32.4Very low205 Ų205133.8 Ų133.877%0.77480%0.795SS**  trans88.3113.4138.7-82.7-179.1175.9-152-3.4122.8
971L28.5Very low32.4Very low156 Ų156130.3 Ų130.382%0.81778%0.784SS**  97.4143.8129.6-68.4167.1000121.3
972L30.9Very low32.4Very low148 Ų148128.9 Ų128.978%0.77578%0.782SS**  trans-89.3166.7177.3-60.3160.9000110.2
973P46.8Very low32.4Very low130 Ų130125.7 Ų125.784%0.84478%0.778SS**  -140.7168.186.234.2-17.3000116.4
974L33Very low32.4Very low142 Ų142125.1 Ų125.174%0.74377%0.774SS**  trans-94166.7170.4-70156.8000110.4
975P47.2Very low32.5Very low124 Ų124127 Ų12781%0.80577%0.769SS**  -119.1148.479.6-1.824.2000112.3
976A34Very low32.7Very low95 Ų95132.5 Ų132.579%0.78578%0.777SS**  68.112953.800000113.5
977G31.6Very low33Very low72 Ų72130.7 Ų130.774%0.74277%0.769SS**  cis-167.9-174.7-2.500000109.4
978T30.5Very low33.4Very low149 Ų149131.4 Ų131.491%0.91477%0.771SS**  cis-151.1164.29.647.70000111.6
979R33.6Very low33.3Very low223 Ų223135.2 Ų135.284%0.84278%0.779SS**  trans-140.6160.3172.2-145.3-174.2-171.6174.24.8109.1
980P42.1Very low33.3Very low115 Ų115132.4 Ų132.475%0.74778%0.778SS**  -128.8140.7107.9417.5000111.4
981S31.7Very low33.4Very low80 Ų80133.4 Ų133.456%0.55978%0.781SS**  cis78.6149.641.593.70000112.3
982T31Very low33.7Very low128 Ų128133.3 Ų133.379%0.78578%0.78SS**  cis-163.7178.3-4.62.20000106.7
983S30.2Very low33.6Very low102 Ų102132.1 Ų132.171%0.71378%0.779SS**  cis-174159.20.935.30000106.5
984S28.8Very low32.6Very low111 Ų111135.1 Ų135.178%0.77678%0.781SS**  cis-170.4170.5-12.649.40000108.9
985T30.2Very low32.5Very low125 Ų125135.4 Ų135.477%0.76778%0.782SS**  trans-64.2136.2170.340.30000113.3
986H30.1Very low31.6Very low182 Ų182134.1 Ų134.184%0.84378%0.776SS**  -171.1144116.4-122-87.2000113.5
987S33.5Very low31.4Very low95 Ų95138.4 Ų138.466%0.66478%0.78SS**  trans-100160.2157.269.80000108
988P38Very low31.4Very low125 Ų125138.5 Ų138.581%0.81277%0.774SS**  -148.4-174.862.439.6-18.5000115.6
989L28.7Very low31.3Very low166 Ų166139.2 Ų139.287%0.86977%0.767SS**  trans-75.1133.4170.2-70.5158.3000111.8
990S30Very low31.3Very low108 Ų108138.1 Ų138.176%0.75576%0.763SS**  169.5150.6107.954.30000114.7
991R31.7Very low30.8Very low226 Ų226141.2 Ų141.285%0.85376%0.764SS**  trans41.4103158.3-64.6177.8-178.21722.1118.5
992I33Very low30.9Very low154 Ų154141.9 Ų141.979%0.7977%0.769SS**  79.7109.774.3-69.9168.6000114.1
993V29.8Very low30.8Very low123 Ų123141.6 Ų141.675%0.74577%0.772SS**  trans70104.4151.5173.50000119.3
994Q26.9Very low30.9Very low192 Ų192145.3 Ų145.390%0.89778%0.781SS**  -161.2-175111-112.9175.321.200113.3
995I29Very low32.2Very low148 Ų148145.1 Ų145.176%0.75978%0.777SS**  trans-132.5132.9-152.2-68.9168.9000113.3
996S29Very low32.4Very low97 Ų97144.8 Ų144.868%0.67878%0.779SS**  trans74.3158.5152.675.90000122.5
997Q29.6Very low32.5Very low185 Ų185140.4 Ų140.486%0.86478%0.775SS**  trans89.6144.1167.1-57.3-170.138.500117.5
998A31.1Very low32.2Very low75 Ų75140 Ų14062%0.6278%0.778SS**  cis-170.6176.8-21.400000110
999Q29.1Very low32.1Very low163 Ų163138.1 Ų138.176%0.76277%0.772SS**  trans69.4136.6176.1-48.4-69.2-9.300114.5
1000R33.4Very low32.2Very low201 Ų201137.2 Ų137.276%0.75877%0.774SS**  cis101.3114.821.7-82.2-168.7164.4-166.10.7115
1001K32.6Very low32.2Very low179 Ų179134.9 Ų134.978%0.77877%0.767SS**  trans67161.4133.4-72.6-163.7173.9-162.70119.6
1002S32.8Very low32Very low95 Ų95130.3 Ų130.366%0.66477%0.769SS**  cis178138.9-31.6570000111.3
1003S28.6Very low31.8Very low122 Ų122128.8 Ų128.885%0.85377%0.773SS**  trans-179.9166.2154.247.50000111.6
1004M33.2Very low31.7Very low179 Ų179126.9 Ų126.988%0.88278%0.778SS**  -155.7-171.5-58-127.7-157.5154.200109.4
1005P56.2Low32Very low108 Ų108122.5 Ų122.570%0.70177%0.774SS**  trans-133-157-13745.2-23.6000114.8
1006S33.9Very low32.9Very low117 Ų117121.2 Ų121.282%0.81878%0.776SS**  trans144.4147.2143.5-168.30000110.8
1007A31.8Very low32.9Very low91 Ų91120.6 Ų120.675%0.75278%0.776SS**  cis-102.1-157.7-1.100000110.9
1008A28Very low32.9Very low87 Ų87119.2 Ų119.272%0.71977%0.77SS**  cis-149.51670.200000107.7
1009A35.6Very low33Very low84 Ų84127.4 Ų127.469%0.69479%0.792SS**  cis72.713125.800000114.7
1010T30.7Very low33.2Very low147 Ų147125.7 Ų125.790%0.90279%0.793SS**  cis-162.8160.2-8.610.20000108
1011G29.5Very low33.2Very low59 Ų59121.7 Ų121.761%0.60880%0.795SS**  cis156.2165.4-300000112.7
1012S28.8Very low33.2Very low130 Ų130118.5 Ų118.591%0.90980%0.796SS**  trans72146.5177.687.20000116.2
1013S28.3Very low33.3Very low123 Ų123119.9 Ų119.986%0.8680%0.804SS**  cis-152.5163.7-10.458.80000110.5
1014G28.1Very low33.6Very low83 Ų83119.8 Ų119.886%0.85680%0.801SS**  trans135.7120.7171.600000114.8
1015A31.8Very low33.6Very low99 Ų99115.8 Ų115.882%0.81880%0.795SS**  trans-140179.617300000107.1
1016P49.3Very low32Very low122 Ų122116.4 Ų116.479%0.79280%0.802SS**  cis-136.2-152.35.743.8-24000113.7
1017A28.8Very low31.8Very low84 Ų84116.3 Ų116.369%0.69480%0.801SS**  trans72.5125.3-179.100000114.6
1018E30.1Very low31.8Very low156 Ų156118.4 Ų118.473%0.72981%0.805SS**  73.4126.951.9-66.7-156.9129.300113.2
1019K32.9Very low32.2Very low247 Ų247121.3 Ų121.3100%1.07481%0.812SS**  cis-155.70-3-138.9167.9-171.5152.60112.7

Retrieved 1,019 of 1,019 residues in 266.4 ms (Link to these results)