A0A3Q0KUS5_SCHMA Loading...

N(6)-L-threonylcarbamoyladenine synthase

Required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in mitochondrial tRNAs that read codons beginning with adenine. Probably involved in the transfer of the threonylcarbamoyl moiety of threonylcarbamoyl-AMP (TC-AMP) to the N6 group of A37. Involved in mitochondrial genome maintenance.

AlphaFold DB (A0A5K4EZ34), UniProt , Accession A0A3Q0KUS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 428 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
1M53.3Low50.7Low208 Ų208136 Ų136100%1.02566%0.664SS**  0-44.10-133.5-176.4-75.400112.7N3 K4 F5M1-N3 PolarHBondContact O-N 3.24Å; M1-K4 PolarHBondContact O-N 3.27Å; M1-K4 VanDerWaalsContact O-N 3.16Å; M1-F5 PolarHBondContact O-N 3.24Å
2Q51.8Low50.3Low175 Ų175134.9 Ų134.982%0.81866%0.661SS**Hα-helixtrans-52.9-39.1-177.9-77.5175.8-18.500115.6K4 F5 R6Q2-K4 PolarHBondContact O-N 3Å; Q2-F5 PolarHBondContact O-N 3.36Å; Q2-R6 PolarHBondContact O-N 3.47Å
3N57.3Low50Low137 Ų137133.6 Ų133.673%0.73365%0.653SS**Hα-helixtrans-67.1-33.5179.5-80.3-8.5000114.2M1 S7M1-N3 PolarHBondContact O-N 3.24Å; N3-S7 PolarHBondContact O-N 2.85Å
4K46.9Very low49.8Very low177 Ų177131.7 Ų131.777%0.7765%0.647SS**Hα-helixtrans-69.7-36.9176.9-77.6-170.2176.2-174.90111.6M1 Q2 S7 A8M1-K4 PolarHBondContact O-N 3.27Å; M1-K4 VanDerWaalsContact O-N 3.16Å; Q2-K4 PolarHBondContact O-N 3Å; K4-S7 PolarHBondContact O-N 2.69Å; K4-A8 PolarHBondContact O-N 2.95Å
5F43.4Very low49.1Very low150 Ų150133 Ų13366%0.65864%0.643SS**Hα-helixtrans-64.9-43177.6-115.8-87.9000112.2M1 Q2 S7 A8 L9M1-F5 PolarHBondContact O-N 3.24Å; Q2-F5 PolarHBondContact O-N 3.36Å; F5-S7 VanDerWaalsContact C-N 3.35Å; F5-S7 PolarHBondContact O-N 2.57Å; F5-A8 PolarHBondContact O-N 3.21Å; F5-L9 PolarHBondContact O-N 3.3Å
6R56.5Low48.7Very low189 Ų189126.6 Ų126.671%0.71362%0.623SS**Hα-helixtrans-63.1-40.3176.8-122.5178.9-176.2170.30.8112.4Q2 L9 N10Q2-R6 PolarHBondContact O-N 3.47Å; R6-L9 PolarHBondContact O-N 3.3Å; R6-N10 WeakPolarHBondContact O-CB 3.08Å; R6-N10 PolarHBondContact O-N 3.11Å
7S54Low48.6Very low80 Ų80127 Ų12756%0.55962%0.62SS**Hα-helixtrans-62.2-45.1174.71600000112.1N3 K4 F5 N10 F11N3-S7 PolarHBondContact O-N 2.85Å; K4-S7 PolarHBondContact O-N 2.69Å; F5-S7 VanDerWaalsContact C-N 3.35Å; F5-S7 PolarHBondContact O-N 2.57Å; S7-N10 PolarHBondContact O-N 3.38Å; S7-F11 WeakPolarHBondContact O-CB 3.47Å; S7-F11 PolarHBondContact O-N 2.78Å
8A44.1Very low48.3Very low48 Ų48122.7 Ų122.740%0.39761%0.609SS.*Hα-helixtrans-64.6-41177.900000112.1K4 F5 F11 I12K4-A8 PolarHBondContact O-N 2.95Å; F5-A8 PolarHBondContact O-N 3.21Å; A8-F11 PolarHBondContact O-N 3.43Å; A8-I12 VanDerWaalsContact O-CG1 3.31Å; A8-I12 WeakPolarHBondContact O-CG1 3.31Å; A8-I12 PolarHBondContact O-N 3Å
9L47.1Very low48.1Very low102 Ų102119.3 Ų119.353%0.53460%0.596SS.*Hα-helixtrans-64.1-43.5176.8-123.9122000112F5 R6 F11 I12 Q13F5-L9 PolarHBondContact O-N 3.3Å; R6-L9 PolarHBondContact O-N 3.3Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.2Å; L9-I12 PolarHBondContact O-N 3.11Å; L9-Q13 WeakPolarHBondContact O-CB 3.45Å; L9-Q13 PolarHBondContact O-N 3.41Å
10N55.4Low48.1Very low93 Ų93119.3 Ų119.350%0.49759%0.593SS.*Hα-helixtrans-63-39.2174.1-80.4-5000111.7R6 S7 N14R6-N10 WeakPolarHBondContact O-CB 3.08Å; R6-N10 PolarHBondContact O-N 3.11Å; S7-N10 PolarHBondContact O-N 3.38Å; N10-N14 VanDerWaalsContact O-CB 3.28Å; N10-N14 WeakPolarHBondContact O-CB 3.5Å; N10-N14 VanDerWaalsContact O-CG 3.24Å; N10-N14 PolarHBondContact O-N 2.89Å; N10-N14 PolarHBondContact O-ND2 2.94Å
11F47.4Very low48.3Very low137 Ų137117.5 Ų117.560%0.60159%0.586SS**Hα-helixtrans-63.6-46.6176.6-167.7-89.8000111.2S7 A8 L9 N14 Y15S7-F11 WeakPolarHBondContact O-CB 3.47Å; S7-F11 PolarHBondContact O-N 2.78Å; A8-F11 PolarHBondContact O-N 3.43Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.2Å; F11-N14 PolarHBondContact O-N 2.65Å; F11-Y15 HydrophobicContact CE1-CD2 4Å; F11-Y15 HydrophobicContact CZ-CD2 4.33Å; F11-Y15 WeakPolarHBondContact O-CB 2.91Å; F11-Y15 PolarHBondContact O-N 2.88Å
12I46.3Very low48.1Very low123 Ų123117.1 Ų117.163%0.63157%0.573SS**Hα-helixtrans-64.6-42.6178.3-65.6165.6000111.3A8 L9 Y15 G16A8-I12 VanDerWaalsContact O-CG1 3.31Å; A8-I12 WeakPolarHBondContact O-CG1 3.31Å; A8-I12 PolarHBondContact O-N 3Å; L9-I12 PolarHBondContact O-N 3.11Å; I12-Y15 PolarHBondContact O-N 3.43Å; I12-G16 PolarHBondContact O-N 2.85Å
13Q47Very low48Very low118 Ų118114.4 Ų114.455%0.55156%0.564SS**Hα-helixtrans-63.2-43.9176-101.2-174.8-16.700112.3L9 K17L9-Q13 WeakPolarHBondContact O-CB 3.45Å; L9-Q13 PolarHBondContact O-N 3.41Å; Q13-K17 WeakPolarHBondContact O-CG 3.21Å; Q13-K17 PolarHBondContact O-N 3.37Å
14N47.4Very low47.7Very low107 Ų107114.5 Ų114.557%0.57255%0.554SS**Hα-helixtrans-69.3-36.2177.9-73.3-21000111.6N10 F11 A18N10-N14 VanDerWaalsContact O-CB 3.28Å; N10-N14 WeakPolarHBondContact O-CB 3.5Å; N10-N14 VanDerWaalsContact O-CG 3.24Å; N10-N14 PolarHBondContact O-N 2.89Å; N10-N14 PolarHBondContact O-ND2 2.94Å; F11-N14 PolarHBondContact O-N 2.65Å; N14-A18 VanDerWaalsContact O-CB 3.29Å; N14-A18 WeakPolarHBondContact O-CB 3.44Å; N14-A18 PolarHBondContact O-N 3.48Å
15Y38.1Very low48Very low151 Ų151108.5 Ų108.559%0.59253%0.528SS*.Hα-helixtrans-66.4-44.6175.9-156.5-88.5000111.2F11 I12 A18 T19F11-Y15 HydrophobicContact CE1-CD2 4Å; F11-Y15 HydrophobicContact CZ-CD2 4.33Å; F11-Y15 WeakPolarHBondContact O-CB 2.91Å; F11-Y15 PolarHBondContact O-N 2.88Å; I12-Y15 PolarHBondContact O-N 3.43Å; Y15-A18 PolarHBondContact O-N 3.25Å; Y15-T19 HydrophobicContact CD1-CG2 4.1Å; Y15-T19 HydrophobicContact CE1-CG2 3.95Å; Y15-T19 PolarHBondContact O-N 3.28Å; Y15-T19 PolarHBondContact O-OG1 2.82Å
16G43.3Very low48.5Very low31 Ų31106.7 Ų106.732%0.3252%0.522SS..Hα-helixtrans-59-46.5175.300000112.6I12 T19 E20I12-G16 PolarHBondContact O-N 2.85Å; G16-T19 WeakPolarHBondContact CA-OG1 2.86Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 PolarHBondContact O-OG1 3.22Å; G16-E20 PolarHBondContact O-N 2.69Å
17K47.3Very low48.3Very low133 Ų133104 Ų10458%0.57851%0.512SS*.Hα-helixtrans-63.3-41.3174.7-76.5-176.4176.7-177.20112.6Q13 T19 E20 N21Q13-K17 WeakPolarHBondContact O-CG 3.21Å; Q13-K17 PolarHBondContact O-N 3.37Å; K17-T19 VanDerWaalsContact C-N 3.33Å; K17-T19 PolarHBondContact O-N 3.31Å; K17-E20 PolarHBondContact O-N 3.11Å; K17-N21 WeakPolarHBondContact O-CB 3.4Å; K17-N21 PolarHBondContact O-N 3.38Å
18A43.5Very low48.2Very low49 Ų49101.3 Ų101.341%0.40549%0.491SS..Hα-helixtrans-65.2-37.1177.200000112.1N14 Y15 R22N14-A18 VanDerWaalsContact O-CB 3.29Å; N14-A18 WeakPolarHBondContact O-CB 3.44Å; N14-A18 PolarHBondContact O-N 3.48Å; Y15-A18 PolarHBondContact O-N 3.25Å; A18-R22 WeakPolarHBondContact O-CB 3.45Å; A18-R22 WeakPolarHBondContact O-CG 2.84Å; A18-R22 PolarHBondContact O-N 3.36Å
19T44.2Very low48.7Very low59 Ų59100.1 Ų100.136%0.36248%0.48SS..Hα-helixtrans-71.3-41.8174.845.80000112.5Y15 G16 K17 R22 L23Y15-T19 HydrophobicContact CD1-CG2 4.1Å; Y15-T19 HydrophobicContact CE1-CG2 3.95Å; Y15-T19 PolarHBondContact O-N 3.28Å; Y15-T19 PolarHBondContact O-OG1 2.82Å; G16-T19 WeakPolarHBondContact CA-OG1 2.86Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 PolarHBondContact O-OG1 3.22Å; K17-T19 VanDerWaalsContact C-N 3.33Å; K17-T19 PolarHBondContact O-N 3.31Å; T19-R22 PolarHBondContact O-N 3.31Å; T19-L23 WeakPolarHBondContact O-CB 3.3Å; T19-L23 VanDerWaalsContact O-CG 3.24Å; T19-L23 WeakPolarHBondContact O-CG 3.49Å; T19-L23 PolarHBondContact O-N 3.26Å
20E47.5Very low48.8Very low118 Ų118101.7 Ų101.755%0.55148%0.484SS*.Hα-helixtrans-61.6-46.7175.2-80-176.8167.800111.1G16 K17 R22 L23 W24G16-E20 PolarHBondContact O-N 2.69Å; K17-E20 PolarHBondContact O-N 3.11Å; E20-R22 PolarHBondContact O-N 3.03Å; E20-L23 WeakPolarHBondContact O-CB 3.48Å; E20-L23 PolarHBondContact O-N 3.5Å; E20-L23 VanDerWaalsContact O-N 3.14Å; E20-W24 PolarHBondContact O-N 3.23Å
21N51.6Low48.7Very low82 Ų82102.9 Ų102.944%0.43948%0.481SS..Hα-helixtrans-58.7-46.6175.5-82.214.5000111.6K17 L23 W24 H25 E388K17-N21 WeakPolarHBondContact O-CB 3.4Å; K17-N21 PolarHBondContact O-N 3.38Å; N21-L23 VanDerWaalsContact C-N 3.31Å; N21-L23 PolarHBondContact O-N 3.33Å; N21-W24 PolarHBondContact O-N 2.76Å; N21-H25 WeakPolarHBondContact O-CB 3.49Å; N21-H25 PolarHBondContact O-N 2.87Å; N21-E388 WeakPolarHBondContact CA-OE2 3.24Å; N21-E388 WeakPolarHBondContact CB-OE2 3.46Å; N21-E388 PolarHBondContact ND2-OE2 3.32Å; N21-E388 VanDerWaalsContact O-OE1 3.11Å
22R49.5Very low48.8Very low200 Ų200105.2 Ų105.276%0.75549%0.491SS*.Hα-helixtrans-61.9-36.5174.9-79.5-174.1-170.5-174.93.5113.4A18 T19 E20 H26A18-R22 WeakPolarHBondContact O-CB 3.45Å; A18-R22 WeakPolarHBondContact O-CG 2.84Å; A18-R22 PolarHBondContact O-N 3.36Å; T19-R22 PolarHBondContact O-N 3.31Å; E20-R22 PolarHBondContact O-N 3.03Å; R22-H26 VanDerWaalsContact O-CB 3.24Å; R22-H26 WeakPolarHBondContact O-CB 3.45Å; R22-H26 PolarHBondContact O-N 3.17Å
23L50.7Low49.5Very low118 Ų118106.8 Ų106.862%0.61849%0.494SS*.Hα-helixtrans-66-42.7176.6-74.9168.3000110.6T19 E20 N21 H26 Y27T19-L23 WeakPolarHBondContact O-CB 3.3Å; T19-L23 VanDerWaalsContact O-CG 3.24Å; T19-L23 WeakPolarHBondContact O-CG 3.49Å; T19-L23 PolarHBondContact O-N 3.26Å; E20-L23 WeakPolarHBondContact O-CB 3.48Å; E20-L23 PolarHBondContact O-N 3.5Å; E20-L23 VanDerWaalsContact O-N 3.14Å; N21-L23 VanDerWaalsContact C-N 3.31Å; N21-L23 PolarHBondContact O-N 3.33Å; L23-H26 PolarHBondContact O-N 3.35Å; L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 3.35Å
24W51Low51.1Low139 Ų139101.1 Ų101.153%0.52747%0.468SS..Hα-helixtrans-65.3-46174.8-73.4112.9000112E20 N21 H26 Y27 F28E20-W24 PolarHBondContact O-N 3.23Å; N21-W24 PolarHBondContact O-N 2.76Å; W24-H26 VanDerWaalsContact C-N 3.32Å; W24-H26 PolarHBondContact O-N 2.68Å; W24-Y27 HydrophobicContact CE3-CD1 4.33Å; W24-Y27 HydrophobicContact CZ3-CD1 4.31Å; W24-Y27 WeakPolarHBondContact O-CA 3.2Å; W24-Y27 WeakPolarHBondContact O-CB 3.44Å; W24-Y27 PolarHBondContact O-N 2.72Å; W24-F28 HydrophobicContact CB-CD2 4.4Å; W24-F28 HydrophobicContact CB-CE2 4.22Å; W24-F28 AromaticContact CE3-CE2 3.82Å; W24-F28 HydrophobicContact CE3-CE2 3.82Å; W24-F28 HydrophobicContact CE3-CZ 4.13Å; W24-F28 WeakPolarHBondContact O-CD2 3.4Å; W24-F28 PolarHBondContact O-N 3.1Å
25H53.3Low53.3Low51 Ų5196.2 Ų96.224%0.23644%0.441CS..Hα-helixtrans-52.7-51.2173.6-168.882.7000111.4N21 Y27 F28 C29 E388N21-H25 WeakPolarHBondContact O-CB 3.49Å; N21-H25 PolarHBondContact O-N 2.87Å; H25-Y27 VanDerWaalsContact C-N 3.31Å; H25-Y27 PolarHBondContact O-N 3.5Å; H25-F28 PolarHBondContact O-N 2.98Å; H25-C29 PolarHBondContact O-N 2.87Å; H25-C29 VanDerWaalsContact O-N 3.14Å; H25-C29 PolarHBondContact O-SG 2.82Å; H25-C29 VanDerWaalsContact O-SG 3.39Å; H25-E388 WeakPolarHBondContact CA-OE1 3.36Å; H25-E388 VanDerWaalsContact CB-OE1 3.3Å; H25-E388 WeakPolarHBondContact CB-OE1 3.31Å; H25-E388 PolarHBondContact N-OE1 3.41Å; H25-E388 IonicContact ND1-OE1 3.86Å
26H52.9Low56.2Low112 Ų11289 Ų8952%0.51941%0.413SS..Hα-helixtrans-62.7-38.5177.1-168.579.2000112.1R22 L23 W24 Q30R22-H26 VanDerWaalsContact O-CB 3.24Å; R22-H26 WeakPolarHBondContact O-CB 3.45Å; R22-H26 PolarHBondContact O-N 3.17Å; L23-H26 PolarHBondContact O-N 3.35Å; W24-H26 VanDerWaalsContact C-N 3.32Å; W24-H26 PolarHBondContact O-N 2.68Å; H26-Q30 PolarHBondContact CE1-NE2 3.08Å; H26-Q30 PolarHBondContact NE2-NE2 3.41Å; H26-Q30 WeakPolarHBondContact O-CG 3.4Å; H26-Q30 PolarHBondContact O-N 2.91Å
27Y52.7Low58.8Low132 Ų13287.5 Ų87.552%0.51840%0.398SS..Hα-helixtrans-65.9-42.4179.9-171.4-92.3000112.7L23 W24 H25L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 3.35Å; W24-Y27 HydrophobicContact CE3-CD1 4.33Å; W24-Y27 HydrophobicContact CZ3-CD1 4.31Å; W24-Y27 WeakPolarHBondContact O-CA 3.2Å; W24-Y27 WeakPolarHBondContact O-CB 3.44Å; W24-Y27 PolarHBondContact O-N 2.72Å; H25-Y27 VanDerWaalsContact C-N 3.31Å; H25-Y27 PolarHBondContact O-N 3.5Å
28F51.8Low61.3Low25 Ų2581.2 Ų81.211%0.1137%0.37CS..Hα-helixtrans-73.6-37.4179.1-71.9-66.9000112.7W24 H25 Q30 N107 F108 I137W24-F28 HydrophobicContact CB-CD2 4.4Å; W24-F28 HydrophobicContact CB-CE2 4.22Å; W24-F28 AromaticContact CE3-CE2 3.82Å; W24-F28 HydrophobicContact CE3-CE2 3.82Å; W24-F28 HydrophobicContact CE3-CZ 4.13Å; W24-F28 WeakPolarHBondContact O-CD2 3.4Å; W24-F28 PolarHBondContact O-N 3.1Å; H25-F28 PolarHBondContact O-N 2.98Å; F28-Q30 VanDerWaalsContact C-N 3.31Å; F28-Q30 PolarHBondContact O-N 3.31Å; F28-N107 HydrophobicContact CD1-CB 4.18Å; F28-F108 HydrophobicContact CB-CE1 4.46Å; F28-F108 HydrophobicContact CB-CE2 4.43Å; F28-F108 HydrophobicContact CB-CZ 3.83Å; F28-I137 HydrophobicContact CE1-CG2 4.08Å; F28-I137 HydrophobicContact CZ-CG2 4.26Å
29C54.1Low63.9Low23 Ų2378.9 Ų78.916%0.15535%0.351CS..Hα-helixtrans-71.7-19.3-178.3-69.80000114.4H25 N382H25-C29 PolarHBondContact O-N 2.87Å; H25-C29 VanDerWaalsContact O-N 3.14Å; H25-C29 PolarHBondContact O-SG 2.82Å; H25-C29 VanDerWaalsContact O-SG 3.39Å; C29-N382 WeakPolarHBondContact CB-OD1 3.3Å; C29-N382 PolarHBondContact SG-OD1 3.06Å
30Q50.4Low66.5Low134 Ų13476.1 Ų76.163%0.62633%0.334SS*.THydrogen-bonded Turntrans-93.6-7.5-176.1-75.6-159.93.700116.3H26 F28 K32H26-Q30 PolarHBondContact CE1-NE2 3.08Å; H26-Q30 PolarHBondContact NE2-NE2 3.41Å; H26-Q30 WeakPolarHBondContact O-CG 3.4Å; H26-Q30 PolarHBondContact O-N 2.91Å; F28-Q30 VanDerWaalsContact C-N 3.31Å; F28-Q30 PolarHBondContact O-N 3.31Å; Q30-K32 PolarHBondContact O-N 3.37Å
31R53Low68.9Low118 Ų11870.5 Ų70.545%0.44531%0.308SS..  trans-70.3123.8179.4-67.3-174.299175.71.4110.2F33 A34R31-F33 PolarHBondContact O-N 3.11Å; R31-A34 HydrophobicContact CB-CB 4.3Å; R31-A34 PolarHBondContact O-N 3.32Å
32K49.3Very low71.1Confident186 Ų18666.8 Ų66.881%0.80929%0.288SS*.THydrogen-bonded Turntrans-55.6-19.3174.5-106.4-175.4177.1-178.80114.6Q30Q30-K32 PolarHBondContact O-N 3.37Å
33F60.9Low73.3Confident156 Ų15659 Ų5968%0.68426%0.264SS*.THydrogen-bonded Turntrans-124.432.3-175.5-57.7-74.2000111.7R31R31-F33 PolarHBondContact O-N 3.11Å
34A81.3Confident75.3Confident0 Ų054.5 Ų54.50%024%0.241CC..  trans-67.8146.9178.600000111.1R31 E52 T53 N107R31-A34 HydrophobicContact CB-CB 4.3Å; R31-A34 PolarHBondContact O-N 3.32Å; A34-E52 CarbonylContact O-C 3.54Å; A34-E52 WeakPolarHBondContact O-CA 3.23Å; A34-T53 HydrophobicContact CB-CG2 3.65Å; A34-T53 WeakPolarHBondContact O-CG2 3.21Å; A34-T53 PolarHBondContact O-N 3.23Å; A34-T53 PolarHBondContact O-OG1 3.49Å; A34-N107 WeakPolarHBondContact CA-OD1 3.29Å; A34-N107 HydrophobicContact CB-CB 4.24Å; A34-N107 WeakPolarHBondContact CB-OD1 3.49Å
35S93.9Very high77.4Confident3 Ų348.6 Ų48.62%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-129.9147.8178.966.30000112.7I51 I101 D105 L106 N107 F108S35-I51 WeakPolarHBondContact CA-O 3.44Å; S35-I101 WeakPolarHBondContact OG-CD1 3.3Å; S35-D105 PolarHBondContact OG-O 3.48Å; S35-L106 WeakPolarHBondContact OG-CA 3.48Å; S35-N107 PolarHBondContact N-OD1 2.76Å; S35-N107 VanDerWaalsContact N-OD1 3.16Å; S35-N107 PolarHBondContact O-N 3.49Å; S35-F108 PolarHBondContact O-N 3.01Å
36V97.8Very high79.6Confident0 Ų046.2 Ų46.20%021%0.209CC..EExtended strand (participates in β ladder)trans-118.1125.7-179.9-174.70000108.8V50 I51 F108 A110 V376V36-V50 WeakPolarHBondContact O-CA 3.19Å; V36-I51 PolarHBondContact N-O 3.21Å; V36-I51 PolarHBondContact O-N 3.16Å; V36-F108 WeakPolarHBondContact CA-O 3.32Å; V36-F108 HydrophobicContact CB-CB 4.47Å; V36-F108 HydrophobicContact CG1-CB 4.19Å; V36-F108 HydrophobicContact CG2-CB 4.11Å; V36-F108 HydrophobicContact CG2-CD2 4.15Å; V36-F108 HydrophobicContact CG2-CG 4.46Å; V36-A110 HydrophobicContact CG1-CB 3.73Å; V36-V376 HydrophobicContact CB-CG2 3.96Å; V36-V376 HydrophobicContact CG2-CG2 3.63Å
37L98.7Very high81.8Confident0 Ų040.9 Ų40.90%018%0.184CC..EExtended strand (participates in β ladder)trans-93.3115.9169.3171.268.9000107.9I39 A48 A49 V50 V92 M96 L106 F108 V109 A110 L131L37-I39 HydrophobicContact CD2-CD1 4.2Å; L37-I39 HydrophobicContact CD2-CG1 4.37Å; L37-I39 HydrophobicContact CG-CG1 4.19Å; L37-A48 HydrophobicContact CD1-CB 4.31Å; L37-A49 CarbonylContact C-O 3.51Å; L37-A49 WeakPolarHBondContact CA-O 3.43Å; L37-V50 HydrophobicContact CD1-CG2 3.9Å; L37-V92 HydrophobicContact CD1-CG1 4.38Å; L37-V92 HydrophobicContact CD2-CG1 3.87Å; L37-M96 HydrophobicContact CD1-SD 4.44Å; L37-L106 HydrophobicContact CB-CD1 3.56Å; L37-L106 HydrophobicContact CB-CD2 3.78Å; L37-L106 HydrophobicContact CB-CG 4.29Å; L37-L106 HydrophobicContact CD2-CD2 4.01Å; L37-F108 PolarHBondContact N-O 2.86Å; L37-V109 CarbonylContact O-C 3.37Å; L37-V109 WeakPolarHBondContact O-CA 3.37Å; L37-A110 PolarHBondContact O-N 2.91Å; L37-A110 VanDerWaalsContact O-O 3.14Å; L37-L131 HydrophobicContact CD2-CD2 3.41Å; L37-L131 VanDerWaalsContact CD2-CD2 3.41Å
38G98.9Very high84Confident0 Ų034.6 Ų34.60%016%0.16CC..EExtended strand (participates in β ladder)trans-90.1137.8170.200000111.7A48 A49 A110G38-A48 WeakPolarHBondContact O-CA 3.4Å; G38-A49 PolarHBondContact N-O 2.99Å; G38-A49 PolarHBondContact O-N 3.32Å; G38-A110 CarbonylContact C-O 3.51Å; G38-A110 VanDerWaalsContact CA-O 3.29Å; G38-A110 WeakPolarHBondContact CA-O 3.48Å
39I98.9Very high86.2Confident1 Ų133.4 Ų33.41%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-127.9122.2176.1-59.5177000109.4L37 T41 G47 I88 V92 V109 A110 V111 T112 F127 A128L37-I39 HydrophobicContact CD2-CD1 4.2Å; L37-I39 HydrophobicContact CD2-CG1 4.37Å; L37-I39 HydrophobicContact CG-CG1 4.19Å; I39-T41 HydrophobicContact CG2-CG2 4.33Å; I39-G47 WeakPolarHBondContact CA-O 3.45Å; I39-I88 HydrophobicContact CG2-CD1 4.06Å; I39-V92 HydrophobicContact CD1-CG2 4.19Å; I39-V92 HydrophobicContact CG1-CG2 4.26Å; I39-V109 HydrophobicContact CD1-CG1 3.94Å; I39-A110 PolarHBondContact N-O 3.46Å; I39-V111 HydrophobicContact CB-CB 4.41Å; I39-V111 HydrophobicContact CB-CG2 4.12Å; I39-V111 HydrophobicContact CG2-CG2 4.28Å; I39-V111 WeakPolarHBondContact O-CA 3.39Å; I39-T112 PolarHBondContact O-N 3.36Å; I39-T112 VanDerWaalsContact O-N 3.08Å; I39-F127 HydrophobicContact CD1-CD1 3.8Å; I39-F127 HydrophobicContact CD1-CE1 4.2Å; I39-A128 HydrophobicContact CD1-CB 4.27Å
40E98.7Very high88.3Confident0 Ų032.3 Ų32.30%015%0.147CC..EExtended strand (participates in β ladder)trans-115.1126.8176-178.951.5-79.800110.4S42 D45 G47 T112 H144 D366 M370 I371E40-S42 WeakPolarHBondContact OE1-CA 3.49Å; E40-S42 WeakPolarHBondContact OE1-CB 3.43Å; E40-S42 PolarHBondContact OE1-N 3.36Å; E40-S42 PolarHBondContact OE1-OG 3.31Å; E40-S42 VanDerWaalsContact OE1-OG 3.13Å; E40-D45 VanDerWaalsContact O-O 3.13Å; E40-G47 PolarHBondContact N-O 3.49Å; E40-G47 PolarHBondContact O-N 3.18Å; E40-T112 WeakPolarHBondContact OE1-CB 3.31Å; E40-T112 PolarHBondContact OE1-OG1 3.48Å; E40-T112 PolarHBondContact OE2-OG1 2.86Å; E40-H144 IonicContact OE2-CE1 3.36Å; E40-H144 IonicContact OE2-CG 3.95Å; E40-H144 IonicContact OE2-ND1 3.97Å; E40-H144 PolarHBondContact OE2-ND1 3.36Å; E40-D366 HydrophobicContact CG-CB 4.1Å; E40-M370 HydrophobicContact CG-CE 4Å; E40-M370 WeakPolarHBondContact OE2-CE 3.4Å; E40-I371 HydrophobicContact CB-CG1 3.81Å; E40-I371 HydrophobicContact CG-CG1 4.44Å; E40-I371 WeakPolarHBondContact OE2-CD1 3.4Å
41T98.5Very high90.6Very high0 Ų026 Ų260%012%0.117CC..  trans-152.433.5175.965.10000111.5I39 T46 H84 I88 S120 L121 G124I39-T41 HydrophobicContact CG2-CG2 4.33Å; T41-T46 HydrophobicContact CG2-CG2 4.36Å; T41-H84 HydrophobicContact CG2-CB 4.46Å; T41-I88 HydrophobicContact CG2-CD1 4.07Å; T41-S120 CarbonylContact O-C 3.55Å; T41-S120 WeakPolarHBondContact O-CB 3.49Å; T41-S120 PolarHBondContact OG1-O 3.12Å; T41-S120 VanDerWaalsContact OG1-O 3.05Å; T41-L121 PolarHBondContact O-N 2.94Å; T41-G124 VanDerWaalsContact OG1-CA 3.24Å; T41-G124 WeakPolarHBondContact OG1-CA 3.35Å; T41-G124 PolarHBondContact OG1-N 3.5Å
42S97.4Very high92.6Very high4 Ų422.1 Ų22.13%0.02810%0.104CC..SBendtrans-72.4-34-175.465.10000112.7E40 G116 M117 H144E40-S42 WeakPolarHBondContact OE1-CA 3.49Å; E40-S42 WeakPolarHBondContact OE1-CB 3.43Å; E40-S42 PolarHBondContact OE1-N 3.36Å; E40-S42 PolarHBondContact OE1-OG 3.31Å; E40-S42 VanDerWaalsContact OE1-OG 3.13Å; S42-G116 CarbonylContact O-C 3.2Å; S42-G116 WeakPolarHBondContact O-CA 3.45Å; S42-M117 PolarHBondContact O-N 3.15Å; S42-H144 PolarHBondContact OG-CE1 2.92Å; S42-H144 PolarHBondContact OG-ND1 2.69Å
43C94.7Very high94.4Very high37 Ų3714.2 Ų14.225%0.257%0.072CC..SBendtrans-131.4-102.4-173.6-171.20000112.8H84 M117 S120C43-H84 PolarHBondContact O-NE2 2.95Å; C43-M117 HydrophobicContact CB-CE 4.48Å; C43-M117 WeakPolarHBondContact O-CE 3.35Å; C43-S120 PolarHBondContact O-OG 2.69Å
44D93Very high95.8Very high24 Ų2410.2 Ų10.213%0.1286%0.063CC..SBendtrans-128.118.3-172.470.5-44.8000112.7Q65 S69 V75D44-Q65 HydrophobicContact CB-CB 4.09Å; D44-Q65 WeakPolarHBondContact O-CA 3.32Å; D44-Q65 WeakPolarHBondContact O-CB 3.27Å; D44-Q65 VanDerWaalsContact O-CD 3.23Å; D44-Q65 WeakPolarHBondContact O-CG 3.47Å; D44-Q65 PolarHBondContact O-N 3.44Å; D44-S69 PolarHBondContact OD2-OG 2.83Å; D44-V75 HydrophobicContact CB-CB 4.49Å; D44-V75 HydrophobicContact CB-CG1 3.83Å; D44-V75 HydrophobicContact CB-CG2 3.81Å
45D95.6Very high96.3Very high14 Ų1411.1 Ų11.18%0.0757%0.072CC..EExtended strand (participates in β ladder)trans-123123.9174.7-73.9-46.8000109.7E40 L62 S64 H84 D366E40-D45 VanDerWaalsContact O-O 3.13Å; D45-L62 HydrophobicContact CB-CD1 3.98Å; D45-S64 WeakPolarHBondContact OD1-CA 3.19Å; D45-S64 WeakPolarHBondContact OD1-CB 3.49Å; D45-S64 PolarHBondContact OD1-OG 2.95Å; D45-H84 PolarHBondContact O-CE1 3.01Å; D45-H84 VanDerWaalsContact O-CE1 3.28Å; D45-D366 HydrophobicContact CB-CB 4.01Å
46T98.6Very high96.3Very high1 Ų117.1 Ų17.11%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-93.9104169.4-500000107.9T41 S63 H84 N87 I88 V91T41-T46 HydrophobicContact CG2-CG2 4.36Å; T46-S63 PolarHBondContact N-O 3.06Å; T46-S63 PolarHBondContact O-N 3.35Å; T46-H84 PolarHBondContact OG1-ND1 3.32Å; T46-N87 HydrophobicContact CG2-CB 4.38Å; T46-I88 HydrophobicContact CG2-CB 4.1Å; T46-I88 HydrophobicContact CG2-CG1 4.45Å; T46-V91 HydrophobicContact CG2-CB 4.16Å; T46-V91 HydrophobicContact CG2-CG1 4.29Å; T46-V91 HydrophobicContact CG2-CG2 4.08Å
47G98.7Very high96.3Very high1 Ų119.9 Ų19.91%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-115139.9-178.100000112.5I39 E40I39-G47 WeakPolarHBondContact CA-O 3.45Å; E40-G47 PolarHBondContact N-O 3.49Å; E40-G47 PolarHBondContact O-N 3.18Å
48A98.9Very high96.2Very high0 Ų021.7 Ų21.70%012%0.122CC..EExtended strand (participates in β ladder)trans-136.1143.4165.700000111.3L37 G38 D60 C61 V91 V92 A95L37-A48 HydrophobicContact CD1-CB 4.31Å; G38-A48 WeakPolarHBondContact O-CA 3.4Å; A48-D60 CarbonylContact O-C 3.09Å; A48-D60 VanDerWaalsContact O-CA 3.29Å; A48-D60 WeakPolarHBondContact O-CA 3.36Å; A48-C61 PolarHBondContact N-O 3Å; A48-C61 PolarHBondContact O-N 2.95Å; A48-V91 HydrophobicContact CB-CG1 3.73Å; A48-V92 HydrophobicContact CB-CB 4.42Å; A48-V92 HydrophobicContact CB-CG2 3.78Å; A48-A95 HydrophobicContact CB-CB 3.89Å
49A98.8Very high96.2Very high0 Ų021.9 Ų21.90%012%0.124CC..EExtended strand (participates in β ladder)trans-147.9149.1172.100000111.7L37 G38 L57 G59 D60 G368 I369 A372L37-A49 CarbonylContact C-O 3.51Å; L37-A49 WeakPolarHBondContact CA-O 3.43Å; G38-A49 PolarHBondContact N-O 2.99Å; G38-A49 PolarHBondContact O-N 3.32Å; A49-L57 HydrophobicContact CB-CD1 4.2Å; A49-G59 CarbonylContact C-O 3.56Å; A49-G59 VanDerWaalsContact CA-O 3.3Å; A49-G59 WeakPolarHBondContact CA-O 3.33Å; A49-D60 HydrophobicContact CB-CB 3.84Å; A49-G368 VanDerWaalsContact CB-C 3.4Å; A49-I369 HydrophobicContact CB-CB 4.25Å; A49-I369 HydrophobicContact CB-CG1 3.63Å; A49-A372 HydrophobicContact CB-CB 4.23Å
50V98.6Very high96.2Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-113.5119.3174.8-174.40000108.1V36 L37 L58 G59 M96 I101V36-V50 WeakPolarHBondContact O-CA 3.19Å; L37-V50 HydrophobicContact CD1-CG2 3.9Å; V50-L58 HydrophobicContact CB-CB 4.42Å; V50-L58 HydrophobicContact CG1-CB 4.36Å; V50-L58 HydrophobicContact CG1-CD1 4.13Å; V50-L58 WeakPolarHBondContact O-CB 3.24Å; V50-L58 PolarHBondContact O-N 3.44Å; V50-G59 PolarHBondContact N-O 3.42Å; V50-G59 PolarHBondContact O-N 3.02Å; V50-M96 HydrophobicContact CG2-CG 4.5Å; V50-M96 HydrophobicContact CG2-SD 3.56Å; V50-M96 VanDerWaalsContact CG2-SD 3.56Å; V50-I101 HydrophobicContact CG1-CD1 3.76Å; V50-I101 HydrophobicContact CG1-CG1 4.44Å
51I98.1Very high96.2Very high0 Ų025.7 Ų25.70%015%0.146CC..EExtended strand (participates in β ladder)trans-122132.9177.7-57.8-178.4000108.5S35 V36 K56 L57 F154 I369 A372 W373 V376S35-I51 WeakPolarHBondContact CA-O 3.44Å; V36-I51 PolarHBondContact N-O 3.21Å; V36-I51 PolarHBondContact O-N 3.16Å; I51-K56 WeakPolarHBondContact CA-O 3.27Å; I51-K56 WeakPolarHBondContact CG2-O 3.44Å; I51-L57 HydrophobicContact CD1-CD1 4.37Å; I51-L57 HydrophobicContact CG1-CD1 3.78Å; I51-F154 HydrophobicContact CD1-CE2 4.22Å; I51-I369 HydrophobicContact CD1-CG2 3.95Å; I51-A372 HydrophobicContact CB-CB 4.16Å; I51-A372 HydrophobicContact CD1-CB 3.64Å; I51-A372 HydrophobicContact CG1-CB 3.69Å; I51-W373 HydrophobicContact CD1-CB 3.98Å; I51-V376 HydrophobicContact CB-CG2 4.09Å; I51-V376 HydrophobicContact CG2-CG2 3.9Å
52E94.7Very high96.1Very high38 Ų3829.1 Ų29.118%0.17816%0.164CC..EExtended strand (participates in β ladder)trans-71.9148.8171.3-170.6177.9-114.500109.9A34 S54 G55 K56 L58A34-E52 CarbonylContact O-C 3.54Å; A34-E52 WeakPolarHBondContact O-CA 3.23Å; E52-S54 PolarHBondContact O-N 3.39Å; E52-S54 WeakPolarHBondContact OE2-CB 3.18Å; E52-S54 PolarHBondContact OE2-OG 3.37Å; E52-G55 WeakPolarHBondContact O-CA 3.27Å; E52-G55 PolarHBondContact O-N 2.93Å; E52-K56 HydrophobicContact CB-CB 4.34Å; E52-K56 PolarHBondContact N-O 3.37Å; E52-L58 HydrophobicContact CB-CD1 4.23Å; E52-L58 HydrophobicContact CB-CD2 4.47Å; E52-L58 HydrophobicContact CB-CG 4.36Å
53T88.1Confident96.1Very high19 Ų1930.5 Ų30.512%0.11717%0.174CC..THydrogen-bonded Turntrans-60.4-16.3178.254.10000113.4A34 G55 Q379 K380A34-T53 HydrophobicContact CB-CG2 3.65Å; A34-T53 WeakPolarHBondContact O-CG2 3.21Å; A34-T53 PolarHBondContact O-N 3.23Å; A34-T53 PolarHBondContact O-OG1 3.49Å; T53-G55 PolarHBondContact O-N 3.39Å; T53-Q379 HydrophobicContact CG2-CG 4.34Å; T53-K380 WeakPolarHBondContact O-CE 3.29Å; T53-K380 PolarHBondContact O-NZ 3.12Å; T53-K380 VanDerWaalsContact O-NZ 3.17Å
54S89.5Confident96.1Very high72 Ų7231.4 Ų31.450%0.50318%0.18SC..THydrogen-bonded Turntrans-62.7-21.7167.367.10000113.6E52 K56E52-S54 PolarHBondContact O-N 3.39Å; E52-S54 WeakPolarHBondContact OE2-CB 3.18Å; E52-S54 PolarHBondContact OE2-OG 3.37Å; S54-K56 PolarHBondContact OG-N 2.88Å
55G91.7Very high96.1Very high19 Ų1930.6 Ų30.620%0.19618%0.175CC..SBendtrans99.82.9-171.700000113.7E52 T53 F154E52-G55 WeakPolarHBondContact O-CA 3.27Å; E52-G55 PolarHBondContact O-N 2.93Å; T53-G55 PolarHBondContact O-N 3.39Å; G55-F154 WeakPolarHBondContact O-CE2 3.45Å
56K95Very high95.6Very high130 Ų13032.3 Ų32.357%0.56519%0.189SC*.  trans-77.1122.9177.7-175-177.3176.1-173.70111.3I51 E52 S54 L58I51-K56 WeakPolarHBondContact CA-O 3.27Å; I51-K56 WeakPolarHBondContact CG2-O 3.44Å; E52-K56 HydrophobicContact CB-CB 4.34Å; E52-K56 PolarHBondContact N-O 3.37Å; S54-K56 PolarHBondContact OG-N 2.88Å; K56-L58 HydrophobicContact CD-CD2 3.98Å; K56-L58 HydrophobicContact CG-CD2 4.13Å; K56-L58 PolarHBondContact O-N 3.16Å
57L97.3Very high95.1Very high58 Ų5840.3 Ų40.330%0.30422%0.219SC..EExtended strand (participates in β ladder)trans-68.8123.6167.8-179.964.3000109.9A49 I51 D60 F154 I369A49-L57 HydrophobicContact CB-CD1 4.2Å; I51-L57 HydrophobicContact CD1-CD1 4.37Å; I51-L57 HydrophobicContact CG1-CD1 3.78Å; L57-D60 HydrophobicContact CD1-CB 4.37Å; L57-F154 HydrophobicContact CB-CZ 4.07Å; L57-I369 HydrophobicContact CD1-CD1 4.37Å; L57-I369 HydrophobicContact CD1-CG1 4.01Å; L57-I369 HydrophobicContact CD2-CD1 3.81Å; L57-I369 HydrophobicContact CD2-CG1 4.36Å
58L97.3Very high94.5Very high38 Ų3842.8 Ų42.820%0.19923%0.231CC..EExtended strand (participates in β ladder)trans-97.6-40.8179.4-57.6-178.2000111.3V50 E52 K56 S99 I101V50-L58 HydrophobicContact CB-CB 4.42Å; V50-L58 HydrophobicContact CG1-CB 4.36Å; V50-L58 HydrophobicContact CG1-CD1 4.13Å; V50-L58 WeakPolarHBondContact O-CB 3.24Å; V50-L58 PolarHBondContact O-N 3.44Å; E52-L58 HydrophobicContact CB-CD1 4.23Å; E52-L58 HydrophobicContact CB-CD2 4.47Å; E52-L58 HydrophobicContact CB-CG 4.36Å; K56-L58 HydrophobicContact CD-CD2 3.98Å; K56-L58 HydrophobicContact CG-CD2 4.13Å; K56-L58 PolarHBondContact O-N 3.16Å; L58-S99 WeakPolarHBondContact O-CA 3.41Å; L58-I101 HydrophobicContact CD1-CG2 3.95Å
59G97.9Very high93.9Very high4 Ų443.5 Ų43.54%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-171.3148.3176.400000112.4A49 V50A49-G59 CarbonylContact C-O 3.56Å; A49-G59 VanDerWaalsContact CA-O 3.3Å; A49-G59 WeakPolarHBondContact CA-O 3.33Å; V50-G59 PolarHBondContact N-O 3.42Å; V50-G59 PolarHBondContact O-N 3.02Å
60D98.4Very high93.1Very high58 Ų5845.7 Ų45.731%0.3125%0.249SC..EExtended strand (participates in β ladder)trans-141.9158178.973-64.8000112.2A48 A49 L57 K98 I369A48-D60 CarbonylContact O-C 3.09Å; A48-D60 VanDerWaalsContact O-CA 3.29Å; A48-D60 WeakPolarHBondContact O-CA 3.36Å; A49-D60 HydrophobicContact CB-CB 3.84Å; L57-D60 HydrophobicContact CD1-CB 4.37Å; D60-K98 WeakPolarHBondContact O-CD 3.41Å; D60-K98 PolarHBondContact O-NZ 2.98Å; D60-I369 HydrophobicContact CB-CD1 4.07Å; D60-I369 HydrophobicContact CB-CG1 3.97Å
61C98.5Very high92.3Very high23 Ų2351.9 Ų51.916%0.15528%0.28CS..EExtended strand (participates in β ladder)trans-148.4140.6172.2-173.80000109.5A48 V91 T94 A95A48-C61 PolarHBondContact N-O 3Å; A48-C61 PolarHBondContact O-N 2.95Å; C61-V91 HydrophobicContact CB-CG1 3.98Å; C61-V91 WeakPolarHBondContact CB-O 3.34Å; C61-V91 WeakPolarHBondContact O-CG1 3.47Å; C61-T94 HydrophobicContact CB-CG2 3.99Å; C61-A95 HydrophobicContact CB-CB 4.23Å
62L98Very high91.6Very high72 Ų7256.1 Ų56.138%0.37730%0.302SS..EExtended strand (participates in β ladder)trans-132.8125.4178-178.766.8000108.7D45 D366D45-L62 HydrophobicContact CB-CD1 3.98Å; L62-D366 WeakPolarHBondContact CD1-O 3.43Å
63S97.1Very high90.7Very high33 Ų3355.7 Ų55.723%0.23131%0.308CS..EExtended strand (participates in β ladder)trans-110.995.5166.9178.40000108.4T46T46-S63 PolarHBondContact N-O 3.06Å; T46-S63 PolarHBondContact O-N 3.35Å
64S93.7Very high90.5Very high55 Ų5556.1 Ų56.139%0.38532%0.316SS..EExtended strand (participates in β ladder)trans-83.7135-179.7-1760000112.1D45 S66D45-S64 WeakPolarHBondContact OD1-CA 3.19Å; D45-S64 WeakPolarHBondContact OD1-CB 3.49Å; D45-S64 PolarHBondContact OD1-OG 2.95Å; S64-S66 VanDerWaalsContact C-N 3.34Å; S64-S66 WeakPolarHBondContact OG-CB 3.44Å; S64-S66 PolarHBondContact OG-N 3.34Å; S64-S66 PolarHBondContact OG-OG 3.3Å
65Q92.6Very high90.5Very high7 Ų755.1 Ų55.13%0.03331%0.307CS..  trans-932.9175.4-49.416521.300112.2D44 R67 I68 S69 A80 L83 H84D44-Q65 HydrophobicContact CB-CB 4.09Å; D44-Q65 WeakPolarHBondContact O-CA 3.32Å; D44-Q65 WeakPolarHBondContact O-CB 3.27Å; D44-Q65 VanDerWaalsContact O-CD 3.23Å; D44-Q65 WeakPolarHBondContact O-CG 3.47Å; D44-Q65 PolarHBondContact O-N 3.44Å; Q65-R67 VanDerWaalsContact C-N 3.26Å; Q65-R67 PolarHBondContact O-N 2.97Å; Q65-I68 CarbonylContact O-C 3.5Å; Q65-I68 WeakPolarHBondContact O-CA 3.49Å; Q65-I68 WeakPolarHBondContact O-CB 3.07Å; Q65-I68 PolarHBondContact O-N 2.95Å; Q65-S69 PolarHBondContact O-N 3.32Å; Q65-S69 PolarHBondContact O-OG 3.41Å; Q65-A80 PolarHBondContact NE2-O 3.44Å; Q65-L83 HydrophobicContact CB-CD1 4.16Å; Q65-L83 HydrophobicContact CG-CB 4.08Å; Q65-L83 HydrophobicContact CG-CD1 3.75Å; Q65-H84 PolarHBondContact NE2-CE1 3.2Å
66S86.7Confident90.5Very high50 Ų5058 Ų5835%0.3532%0.317SS..Hα-helixtrans-43.4-45.7-178.550.60000114.2S64 I68 S69 V70S64-S66 VanDerWaalsContact C-N 3.34Å; S64-S66 WeakPolarHBondContact OG-CB 3.44Å; S64-S66 PolarHBondContact OG-N 3.34Å; S64-S66 PolarHBondContact OG-OG 3.3Å; S66-I68 VanDerWaalsContact C-N 3.34Å; S66-I68 PolarHBondContact O-N 2.53Å; S66-S69 PolarHBondContact O-N 3.37Å; S66-V70 WeakPolarHBondContact O-CB 3.46Å; S66-V70 VanDerWaalsContact O-CG2 3.26Å; S66-V70 WeakPolarHBondContact O-CG2 3.29Å; S66-V70 PolarHBondContact O-N 3.49Å
67R86.6Confident90.4Very high170 Ų17054.8 Ų54.864%0.64231%0.31SS*.Hα-helixtrans-60.9-41.2177-170.5177.270.8137.90.5112.7Q65 M71Q65-R67 VanDerWaalsContact C-N 3.26Å; Q65-R67 PolarHBondContact O-N 2.97Å; R67-M71 HydrophobicContact CG-CE 4.46Å; R67-M71 WeakPolarHBondContact O-CG 3.35Å; R67-M71 PolarHBondContact O-N 3.42Å; R67-M71 VanDerWaalsContact O-N 3.17Å
68I87.5Confident90.3Very high53 Ų5355.9 Ų55.927%0.27232%0.322SS..Hα-helixtrans-70.8-45.1178-62.6170.1000109.5Q65 S66 V70 M71 L72 V79 L83Q65-I68 CarbonylContact O-C 3.5Å; Q65-I68 WeakPolarHBondContact O-CA 3.49Å; Q65-I68 WeakPolarHBondContact O-CB 3.07Å; Q65-I68 PolarHBondContact O-N 2.95Å; S66-I68 VanDerWaalsContact C-N 3.34Å; S66-I68 PolarHBondContact O-N 2.53Å; I68-V70 VanDerWaalsContact C-N 3.3Å; I68-V70 PolarHBondContact O-N 3.47Å; I68-M71 HydrophobicContact CG1-CE 4.16Å; I68-M71 PolarHBondContact O-N 3.14Å; I68-M71 VanDerWaalsContact O-N 3.1Å; I68-L72 HydrophobicContact CG2-CD1 3.72Å; I68-L72 HydrophobicContact CG2-CG 4.25Å; I68-L72 WeakPolarHBondContact O-CG 3.27Å; I68-L72 PolarHBondContact O-N 3.43Å; I68-V79 HydrophobicContact CG2-CG1 4.39Å; I68-L83 HydrophobicContact CD1-CD1 3.6Å; I68-L83 HydrophobicContact CD1-CD2 4.22Å; I68-L83 HydrophobicContact CG2-CD1 4.4Å
69S85.4Confident90.3Very high14 Ų1456.5 Ų56.510%0.09833%0.327CS..Hα-helixtrans-56.4-43.4175.5-56.40000111.6D44 Q65 S66 L72 G73 G74D44-S69 PolarHBondContact OD2-OG 2.83Å; Q65-S69 PolarHBondContact O-N 3.32Å; Q65-S69 PolarHBondContact O-OG 3.41Å; S66-S69 PolarHBondContact O-N 3.37Å; S69-L72 PolarHBondContact O-N 2.93Å; S69-G73 PolarHBondContact O-N 3.45Å; S69-G74 PolarHBondContact O-N 3.04Å
70V82.1Confident90.2Very high46 Ų4656.3 Ų56.328%0.27933%0.326SS..Hα-helixtrans-62.9-42.8175.5169.50000111.7S66 I68 G73S66-V70 WeakPolarHBondContact O-CB 3.46Å; S66-V70 VanDerWaalsContact O-CG2 3.26Å; S66-V70 WeakPolarHBondContact O-CG2 3.29Å; S66-V70 PolarHBondContact O-N 3.49Å; I68-V70 VanDerWaalsContact C-N 3.3Å; I68-V70 PolarHBondContact O-N 3.47Å; V70-G73 PolarHBondContact O-N 3.19Å
71M82.7Confident90.2Very high130 Ų13054.1 Ų54.164%0.6432%0.316SS*.Hα-helixtrans-65.8-38.7177.6-73.9-172.8-63.600112.9R67 I68 G73R67-M71 HydrophobicContact CG-CE 4.46Å; R67-M71 WeakPolarHBondContact O-CG 3.35Å; R67-M71 PolarHBondContact O-N 3.42Å; R67-M71 VanDerWaalsContact O-N 3.17Å; I68-M71 HydrophobicContact CG1-CE 4.16Å; I68-M71 PolarHBondContact O-N 3.14Å; I68-M71 VanDerWaalsContact O-N 3.1Å; M71-G73 VanDerWaalsContact C-N 3.26Å; M71-G73 PolarHBondContact O-N 3.44Å
72L83.5Confident90.2Very high89 Ų8957 Ų5747%0.46633%0.326SS..Hα-helixtrans-79.6-9.1178.5-65.1175.2000113.1I68 S69 G74 L76 V79I68-L72 HydrophobicContact CG2-CD1 3.72Å; I68-L72 HydrophobicContact CG2-CG 4.25Å; I68-L72 WeakPolarHBondContact O-CG 3.27Å; I68-L72 PolarHBondContact O-N 3.43Å; S69-L72 PolarHBondContact O-N 2.93Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-L76 HydrophobicContact CB-CD1 4.49Å; L72-L76 HydrophobicContact CD1-CD1 3.96Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CD2-CD1 4.47Å; L72-V79 HydrophobicContact CD1-CG1 4.19Å; L72-V79 HydrophobicContact CD1-CG2 4.38Å
73G76Confident90.2Very high29 Ų2954.8 Ų54.830%0.29932%0.315SS..THydrogen-bonded Turntrans78.516.6-178.300000114.3S69 V70 M71 R204S69-G73 PolarHBondContact O-N 3.45Å; V70-G73 PolarHBondContact O-N 3.19Å; M71-G73 VanDerWaalsContact C-N 3.26Å; M71-G73 PolarHBondContact O-N 3.44Å; G73-R204 PolarHBondContact O-NE 2.73Å; G73-R204 PolarHBondContact O-NH1 3.23Å
74G83.5Confident90.3Very high28 Ų2853.2 Ų53.229%0.28930%0.304SS..SBendtrans156.1172-179.300000111.8S69 L72 L76S69-G74 PolarHBondContact O-N 3.04Å; L72-G74 VanDerWaalsContact C-N 3.34Å; G74-L76 PolarHBondContact O-N 3.11Å
75V88.3Confident90.5Very high51 Ų5156.4 Ų56.431%0.30931%0.311SS..  trans-78.4119.5176.4-177.60000109.5D44 A80 M117D44-V75 HydrophobicContact CB-CB 4.49Å; D44-V75 HydrophobicContact CB-CG1 3.83Å; D44-V75 HydrophobicContact CB-CG2 3.81Å; V75-A80 HydrophobicContact CG1-CB 4.03Å; V75-M117 HydrophobicContact CG1-CE 3.42Å; V75-M117 VanDerWaalsContact CG1-CE 3.42Å; V75-M117 HydrophobicContact CG1-SD 4.09Å
76L92.3Very high90.8Very high80 Ų8061.8 Ų61.842%0.41934%0.336SS..  trans-95.4118.9172.4-61.4-172.4000109.7L72 G74 S78 V79 A80L72-L76 HydrophobicContact CB-CD1 4.49Å; L72-L76 HydrophobicContact CD1-CD1 3.96Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CD2-CD1 4.47Å; G74-L76 PolarHBondContact O-N 3.11Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 3.31Å; L76-V79 HydrophobicContact CB-CB 4.1Å; L76-V79 HydrophobicContact CB-CG2 3.92Å; L76-V79 HydrophobicContact CD1-CG2 4.19Å; L76-V79 PolarHBondContact O-N 2.82Å; L76-V79 VanDerWaalsContact O-N 3.12Å; L76-A80 PolarHBondContact O-N 2.85Å
77P93.7Very high91.3Very high63 Ų6361.5 Ų61.541%0.40933%0.331SS..Hα-helixtrans-57.4-37.6-171.6-27.332.8000115.3A81 M117P77-A81 WeakPolarHBondContact O-CB 3.43Å; P77-A81 PolarHBondContact O-N 3.07Å; P77-M117 HydrophobicContact CB-SD 3.77Å; P77-M117 HydrophobicContact CG-SD 3.73Å
78S95.1Very high91.9Very high81 Ų8153.8 Ų53.857%0.56630%0.302SS*.Hα-helixtrans-70.4-40.2178.850.90000112.5L76 E82L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 3.31Å; S78-E82 PolarHBondContact O-N 3.12Å; S78-E82 VanDerWaalsContact O-N 3.07Å
79V96.6Very high92.4Very high50 Ų5057.2 Ų57.230%0.30332%0.317SS..Hα-helixtrans-67-44.5176.21790000109.8I68 L72 L76 A81 E82 L83I68-V79 HydrophobicContact CG2-CG1 4.39Å; L72-V79 HydrophobicContact CD1-CG1 4.19Å; L72-V79 HydrophobicContact CD1-CG2 4.38Å; L76-V79 HydrophobicContact CB-CB 4.1Å; L76-V79 HydrophobicContact CB-CG2 3.92Å; L76-V79 HydrophobicContact CD1-CG2 4.19Å; L76-V79 PolarHBondContact O-N 2.82Å; L76-V79 VanDerWaalsContact O-N 3.12Å; V79-A81 VanDerWaalsContact C-N 3.32Å; V79-A81 PolarHBondContact O-N 3.21Å; V79-E82 PolarHBondContact O-N 3.48Å; V79-L83 HydrophobicContact CG1-CD1 3.86Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CG 3.46Å; V79-L83 PolarHBondContact O-N 3.48Å
80A96.6Very high93.1Very high1 Ų160 Ų601%0.00834%0.336CS..Hα-helixtrans-61.1-42.8178.900000112.2Q65 V75 L76 L83 H84 M117Q65-A80 PolarHBondContact NE2-O 3.44Å; V75-A80 HydrophobicContact CG1-CB 4.03Å; L76-A80 PolarHBondContact O-N 2.85Å; A80-L83 PolarHBondContact O-N 3.03Å; A80-H84 PolarHBondContact O-CD2 3.09Å; A80-H84 VanDerWaalsContact O-CG 3.31Å; A80-H84 PolarHBondContact O-N 3.44Å; A80-M117 HydrophobicContact CB-CE 3.71Å
81A98Very high93.9Very high12 Ų1258 Ų5810%0.09932%0.324CS..Hα-helixtrans-60.9-47.817400000112.3P77 V79 L83 H84 K85 L119 I123P77-A81 WeakPolarHBondContact O-CB 3.43Å; P77-A81 PolarHBondContact O-N 3.07Å; V79-A81 VanDerWaalsContact C-N 3.32Å; V79-A81 PolarHBondContact O-N 3.21Å; A81-L83 VanDerWaalsContact C-N 3.32Å; A81-L83 PolarHBondContact O-N 2.81Å; A81-H84 PolarHBondContact O-N 3.16Å; A81-K85 PolarHBondContact O-N 3.26Å; A81-L119 HydrophobicContact CB-CB 3.67Å; A81-I123 HydrophobicContact CB-CD1 3.82Å; A81-I123 WeakPolarHBondContact O-CD1 3.45Å
82E98.2Very high94.6Very high82 Ų8252 Ų5238%0.38330%0.295SS..Hα-helixtrans-62.4-42179.2-166.560.6-152.200111.5S78 V79 H84 K85 E86S78-E82 PolarHBondContact O-N 3.12Å; S78-E82 VanDerWaalsContact O-N 3.07Å; V79-E82 PolarHBondContact O-N 3.48Å; E82-H84 PolarHBondContact O-N 2.99Å; E82-K85 WeakPolarHBondContact O-CB 3.33Å; E82-K85 PolarHBondContact O-N 2.97Å; E82-K85 VanDerWaalsContact O-N 3.12Å; E82-K85 IonicContact OE1-NZ 3.93Å; E82-K85 PolarHBondContact OE1-NZ 3.33Å; E82-K85 IonicContact OE2-NZ 2.8Å; E82-K85 PolarHBondContact OE2-NZ 2.81Å; E82-E86 WeakPolarHBondContact O-CG 3.41Å; E82-E86 PolarHBondContact O-N 3.28Å
83L98.3Very high95.3Very high26 Ų2651.6 Ų51.614%0.13629%0.293CS..Hα-helixtrans-64.6-36.4176.1-68.5173000112.7Q65 I68 V79 A80 A81 K85 N87Q65-L83 HydrophobicContact CB-CD1 4.16Å; Q65-L83 HydrophobicContact CG-CB 4.08Å; Q65-L83 HydrophobicContact CG-CD1 3.75Å; I68-L83 HydrophobicContact CD1-CD1 3.6Å; I68-L83 HydrophobicContact CD1-CD2 4.22Å; I68-L83 HydrophobicContact CG2-CD1 4.4Å; V79-L83 HydrophobicContact CG1-CD1 3.86Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CG 3.46Å; V79-L83 PolarHBondContact O-N 3.48Å; A80-L83 PolarHBondContact O-N 3.03Å; A81-L83 VanDerWaalsContact C-N 3.32Å; A81-L83 PolarHBondContact O-N 2.81Å; L83-K85 VanDerWaalsContact C-N 3.35Å; L83-N87 VanDerWaalsContact O-CB 3.28Å; L83-N87 WeakPolarHBondContact O-CB 3.48Å; L83-N87 PolarHBondContact O-N 2.95Å; L83-N87 VanDerWaalsContact O-N 3.07Å; L83-N87 PolarHBondContact O-ND2 3.23Å
84H98.7Very high96.4Very high0 Ų052.7 Ų52.70%029%0.294CS..Hα-helixtrans-62.1-45171.1-71-52000111.3T41 C43 D45 T46 Q65 A80 A81 E82 E86 N87 I88 S120 I123T41-H84 HydrophobicContact CG2-CB 4.46Å; C43-H84 PolarHBondContact O-NE2 2.95Å; D45-H84 PolarHBondContact O-CE1 3.01Å; D45-H84 VanDerWaalsContact O-CE1 3.28Å; T46-H84 PolarHBondContact OG1-ND1 3.32Å; Q65-H84 PolarHBondContact NE2-CE1 3.2Å; A80-H84 PolarHBondContact O-CD2 3.09Å; A80-H84 VanDerWaalsContact O-CG 3.31Å; A80-H84 PolarHBondContact O-N 3.44Å; A81-H84 PolarHBondContact O-N 3.16Å; E82-H84 PolarHBondContact O-N 2.99Å; H84-E86 VanDerWaalsContact C-N 3.34Å; H84-E86 PolarHBondContact O-N 2.79Å; H84-N87 PolarHBondContact O-N 3.34Å; H84-I88 WeakPolarHBondContact O-CB 3.35Å; H84-I88 WeakPolarHBondContact O-CG2 3.42Å; H84-I88 PolarHBondContact O-N 3.07Å; H84-S120 VanDerWaalsContact CD2-CB 3.42Å; H84-S120 WeakPolarHBondContact CD2-CB 3.34Å; H84-S120 PolarHBondContact CD2-OG 2.65Å; H84-I123 HydrophobicContact CB-CB 4.38Å; H84-I123 HydrophobicContact CB-CD1 3.91Å; H84-I123 HydrophobicContact CB-CG2 4.01Å
85K98.5Very high97.1Very high122 Ų12251.3 Ų51.353%0.5328%0.28SS..Hα-helixtrans-63-39.6-179.5176.4176.1151.7-122.70112.2A81 E82 L83 I123A81-K85 PolarHBondContact O-N 3.26Å; E82-K85 WeakPolarHBondContact O-CB 3.33Å; E82-K85 PolarHBondContact O-N 2.97Å; E82-K85 VanDerWaalsContact O-N 3.12Å; E82-K85 IonicContact OE1-NZ 3.93Å; E82-K85 PolarHBondContact OE1-NZ 3.33Å; E82-K85 IonicContact OE2-NZ 2.8Å; E82-K85 PolarHBondContact OE2-NZ 2.81Å; L83-K85 VanDerWaalsContact C-N 3.35Å; K85-I123 HydrophobicContact CB-CD1 4.11Å
86E98.3Very high97.5Very high121 Ų12149.6 Ų49.657%0.56527%0.269SS*.Hα-helixtrans-68.3-36.3175.9-71.5175.8177.100112.7E82 H84E82-E86 WeakPolarHBondContact O-CG 3.41Å; E82-E86 PolarHBondContact O-N 3.28Å; H84-E86 VanDerWaalsContact C-N 3.34Å; H84-E86 PolarHBondContact O-N 2.79Å
87N98.6Very high97.7Very high43 Ų4349 Ų4923%0.2328%0.276CS..Hα-helixtrans-99.5-25.4-168.9-69-59.2000114.9T46 L83 H84 E89 S90 V91T46-N87 HydrophobicContact CG2-CB 4.38Å; L83-N87 VanDerWaalsContact O-CB 3.28Å; L83-N87 WeakPolarHBondContact O-CB 3.48Å; L83-N87 PolarHBondContact O-N 2.95Å; L83-N87 VanDerWaalsContact O-N 3.07Å; L83-N87 PolarHBondContact O-ND2 3.23Å; H84-N87 PolarHBondContact O-N 3.34Å; N87-E89 VanDerWaalsContact C-N 3.35Å; N87-E89 PolarHBondContact O-N 2.93Å; N87-S90 PolarHBondContact O-N 3.09Å; N87-S90 VanDerWaalsContact O-N 3.15Å; N87-V91 HydrophobicContact CB-CG2 4.29Å; N87-V91 WeakPolarHBondContact O-CB 3.41Å; N87-V91 WeakPolarHBondContact O-CG2 3.38Å; N87-V91 PolarHBondContact O-N 3.41Å
88I98.7Very high97.9Very high8 Ų851.2 Ų51.24%0.04128%0.279CS..Hα-helixtrans-57.5-42.8-168.1-171163.9000113.5I39 T41 T46 H84 V92 I123 F127I39-I88 HydrophobicContact CG2-CD1 4.06Å; T41-I88 HydrophobicContact CG2-CD1 4.07Å; T46-I88 HydrophobicContact CG2-CB 4.1Å; T46-I88 HydrophobicContact CG2-CG1 4.45Å; H84-I88 WeakPolarHBondContact O-CB 3.35Å; H84-I88 WeakPolarHBondContact O-CG2 3.42Å; H84-I88 PolarHBondContact O-N 3.07Å; I88-V92 HydrophobicContact CG1-CG2 4.39Å; I88-V92 WeakPolarHBondContact O-CB 3.36Å; I88-V92 VanDerWaalsContact O-CG2 3.32Å; I88-V92 WeakPolarHBondContact O-CG2 3.45Å; I88-V92 PolarHBondContact O-N 3.37Å; I88-I123 HydrophobicContact CD1-CG2 4.16Å; I88-I123 HydrophobicContact CG2-CG2 4.27Å; I88-F127 HydrophobicContact CB-CD2 4.5Å; I88-F127 HydrophobicContact CD1-CB 3.44Å; I88-F127 VanDerWaalsContact CD1-CB 3.44Å; I88-F127 HydrophobicContact CD1-CD1 4.07Å; I88-F127 HydrophobicContact CD1-CD2 4.15Å; I88-F127 HydrophobicContact CD1-CG 3.62Å; I88-F127 HydrophobicContact CG1-CB 4.21Å; I88-F127 HydrophobicContact CG1-CD1 4.12Å; I88-F127 HydrophobicContact CG1-CD2 3.98Å; I88-F127 HydrophobicContact CG1-CE2 4.39Å; I88-F127 HydrophobicContact CG1-CG 3.83Å; I88-F127 HydrophobicContact CG2-CD2 3.79Å; I88-F127 HydrophobicContact CG2-CE2 4.26Å; I88-F127 HydrophobicContact CG2-CG 4.38Å
89E98.5Very high98Very high126 Ų12647.8 Ų47.859%0.58926%0.255SS*.Hα-helixtrans-65.4-46.4178.8-178.5167.7-160.800111.5N87 V92 N93 F127N87-E89 VanDerWaalsContact C-N 3.35Å; N87-E89 PolarHBondContact O-N 2.93Å; E89-V92 PolarHBondContact O-N 3.4Å; E89-N93 WeakPolarHBondContact CG-ND2 3.28Å; E89-N93 VanDerWaalsContact O-CB 3.24Å; E89-N93 WeakPolarHBondContact O-CB 3.32Å; E89-N93 PolarHBondContact O-N 2.88Å; E89-N93 PolarHBondContact O-ND2 3.28Å; E89-F127 HydrophobicContact CB-CE2 4.06Å
90S98.5Very high97.7Very high71 Ų7152.5 Ų52.550%0.49728%0.278SS..Hα-helixtrans-62.9-43.6178.3-176.90000112.1N87 N93 T94N87-S90 PolarHBondContact O-N 3.09Å; N87-S90 VanDerWaalsContact O-N 3.15Å; S90-N93 PolarHBondContact O-N 2.85Å; S90-T94 VanDerWaalsContact O-CB 3.31Å; S90-T94 WeakPolarHBondContact O-CB 3.37Å; S90-T94 PolarHBondContact O-N 3.01Å; S90-T94 PolarHBondContact O-OG1 3.05Å
91V98.8Very high97.5Very high4 Ų454.4 Ų54.42%0.02429%0.288CS..Hα-helixtrans-63.8-48.1179167.80000111T46 A48 C61 N87 T94 A95T46-V91 HydrophobicContact CG2-CB 4.16Å; T46-V91 HydrophobicContact CG2-CG1 4.29Å; T46-V91 HydrophobicContact CG2-CG2 4.08Å; A48-V91 HydrophobicContact CB-CG1 3.73Å; C61-V91 HydrophobicContact CB-CG1 3.98Å; C61-V91 WeakPolarHBondContact CB-O 3.34Å; C61-V91 WeakPolarHBondContact O-CG1 3.47Å; N87-V91 HydrophobicContact CB-CG2 4.29Å; N87-V91 WeakPolarHBondContact O-CB 3.41Å; N87-V91 WeakPolarHBondContact O-CG2 3.38Å; N87-V91 PolarHBondContact O-N 3.41Å; V91-T94 PolarHBondContact O-N 3.31Å; V91-A95 PolarHBondContact O-N 3.41Å
92V98.6Very high96.9Very high4 Ų455.5 Ų55.52%0.02430%0.3CS..Hα-helixtrans-64.2-45.5177.5170.50000111.2L37 I39 A48 I88 E89 T94 A95 M96 F127L37-V92 HydrophobicContact CD1-CG1 4.38Å; L37-V92 HydrophobicContact CD2-CG1 3.87Å; I39-V92 HydrophobicContact CD1-CG2 4.19Å; I39-V92 HydrophobicContact CG1-CG2 4.26Å; A48-V92 HydrophobicContact CB-CB 4.42Å; A48-V92 HydrophobicContact CB-CG2 3.78Å; I88-V92 HydrophobicContact CG1-CG2 4.39Å; I88-V92 WeakPolarHBondContact O-CB 3.36Å; I88-V92 VanDerWaalsContact O-CG2 3.32Å; I88-V92 WeakPolarHBondContact O-CG2 3.45Å; I88-V92 PolarHBondContact O-N 3.37Å; E89-V92 PolarHBondContact O-N 3.4Å; V92-T94 VanDerWaalsContact C-N 3.28Å; V92-T94 PolarHBondContact O-N 2.93Å; V92-A95 PolarHBondContact O-N 2.71Å; V92-M96 HydrophobicContact CG1-CG 4.27Å; V92-M96 WeakPolarHBondContact O-CB 3.25Å; V92-M96 WeakPolarHBondContact O-CG 3.42Å; V92-M96 PolarHBondContact O-N 3.29Å; V92-F127 HydrophobicContact CB-CE1 4Å; V92-F127 HydrophobicContact CB-CZ 4.04Å; V92-F127 HydrophobicContact CG1-CE1 3.95Å; V92-F127 HydrophobicContact CG1-CZ 4.18Å; V92-F127 HydrophobicContact CG2-CD1 4.4Å; V92-F127 HydrophobicContact CG2-CE1 3.7Å; V92-F127 HydrophobicContact CG2-CZ 4.12Å
93N97.6Very high96.3Very high82 Ų8254.9 Ų54.944%0.43930%0.299SS..Hα-helixtrans-61.3-38.8178.1-74-23000111.6E89 S90 M96 A97E89-N93 WeakPolarHBondContact CG-ND2 3.28Å; E89-N93 VanDerWaalsContact O-CB 3.24Å; E89-N93 WeakPolarHBondContact O-CB 3.32Å; E89-N93 PolarHBondContact O-N 2.88Å; E89-N93 PolarHBondContact O-ND2 3.28Å; S90-N93 PolarHBondContact O-N 2.85Å; N93-M96 PolarHBondContact O-N 2.89Å; N93-A97 VanDerWaalsContact O-CB 3.3Å; N93-A97 WeakPolarHBondContact O-CB 3.47Å; N93-A97 PolarHBondContact O-N 3.47Å
94T98.5Very high95.7Very high51 Ų5164.6 Ų64.631%0.31333%0.334SS..Hα-helixtrans-67.3-43.4176.6-60.10000111.8C61 S90 V91 V92 A97 K98C61-T94 HydrophobicContact CB-CG2 3.99Å; S90-T94 VanDerWaalsContact O-CB 3.31Å; S90-T94 WeakPolarHBondContact O-CB 3.37Å; S90-T94 PolarHBondContact O-N 3.01Å; S90-T94 PolarHBondContact O-OG1 3.05Å; V91-T94 PolarHBondContact O-N 3.31Å; V92-T94 VanDerWaalsContact C-N 3.28Å; V92-T94 PolarHBondContact O-N 2.93Å; T94-A97 PolarHBondContact O-N 3.39Å; T94-K98 HydrophobicContact CG2-CD 4.37Å; T94-K98 WeakPolarHBondContact O-CG 3.2Å; T94-K98 PolarHBondContact O-N 3.18Å
95A98.5Very high95.3Very high0 Ų068.1 Ų68.10%035%0.353CS..Hα-helixtrans-62.5-42.3175.600000111.8A48 C61 V91 V92 K98 S99A48-A95 HydrophobicContact CB-CB 3.89Å; C61-A95 HydrophobicContact CB-CB 4.23Å; V91-A95 PolarHBondContact O-N 3.41Å; V92-A95 PolarHBondContact O-N 2.71Å; A95-K98 PolarHBondContact O-N 2.83Å; A95-S99 PolarHBondContact O-N 3.42Å; A95-S99 VanDerWaalsContact O-N 3.07Å
96M97.2Very high95Very high15 Ų1562.4 Ų62.47%0.07433%0.328CS..Hα-helixtrans-66.8-36.1174.8-71.4-62.3-51.300112.9L37 V50 V92 N93 S99 I101 L103L37-M96 HydrophobicContact CD1-SD 4.44Å; V50-M96 HydrophobicContact CG2-CG 4.5Å; V50-M96 HydrophobicContact CG2-SD 3.56Å; V50-M96 VanDerWaalsContact CG2-SD 3.56Å; V92-M96 HydrophobicContact CG1-CG 4.27Å; V92-M96 WeakPolarHBondContact O-CB 3.25Å; V92-M96 WeakPolarHBondContact O-CG 3.42Å; V92-M96 PolarHBondContact O-N 3.29Å; N93-M96 PolarHBondContact O-N 2.89Å; M96-S99 WeakPolarHBondContact CA-OG 3.49Å; M96-S99 PolarHBondContact O-OG 3.38Å; M96-I101 HydrophobicContact CE-CD1 4.31Å; M96-I101 HydrophobicContact CE-CG1 3.99Å; M96-L103 HydrophobicContact CE-CD2 3.97Å
97A96.7Very high94.9Very high68 Ų6856.8 Ų56.856%0.56230%0.302SS*.Hα-helixtrans-67.7-43.9175.800000111.1N93 T94 S99 N100N93-A97 VanDerWaalsContact O-CB 3.3Å; N93-A97 WeakPolarHBondContact O-CB 3.47Å; N93-A97 PolarHBondContact O-N 3.47Å; T94-A97 PolarHBondContact O-N 3.39Å; A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.04Å; A97-N100 PolarHBondContact O-N 2.97Å
98K98.2Very high94.8Very high108 Ų10854.8 Ų54.847%0.4729%0.292SS..Hα-helixtrans-63.6-32177-74.5176.8178.4-176.50113D60 T94 A95 N100D60-K98 WeakPolarHBondContact O-CD 3.41Å; D60-K98 PolarHBondContact O-NZ 2.98Å; T94-K98 HydrophobicContact CG2-CD 4.37Å; T94-K98 WeakPolarHBondContact O-CG 3.2Å; T94-K98 PolarHBondContact O-N 3.18Å; A95-K98 PolarHBondContact O-N 2.83Å; K98-N100 PolarHBondContact O-N 3.43Å; K98-N100 PolarHBondContact O-ND2 3.37Å
99S96.3Very high94.8Very high9 Ų954.4 Ų54.46%0.06329%0.29CS..Hα-helixtrans-70.3-17.2-18067.40000114.2L58 A95 M96 A97 I101L58-S99 WeakPolarHBondContact O-CA 3.41Å; A95-S99 PolarHBondContact O-N 3.42Å; A95-S99 VanDerWaalsContact O-N 3.07Å; M96-S99 WeakPolarHBondContact CA-OG 3.49Å; M96-S99 PolarHBondContact O-OG 3.38Å; A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.04Å; S99-I101 PolarHBondContact O-N 3.45Å; S99-I101 VanDerWaalsContact O-N 3.11Å; S99-I101 WeakPolarHBondContact OG-CG1 3.49Å
100N91.6Very high94.8Very high149 Ų14948.4 Ų48.480%0.79726%0.262SS*.THydrogen-bonded Turntrans55.420.6-176.9-61.9-65.1000114.3A97 K98A97-N100 PolarHBondContact O-N 2.97Å; K98-N100 PolarHBondContact O-N 3.43Å; K98-N100 PolarHBondContact O-ND2 3.37Å
101I90.5Very high94.8Very high41 Ų4145 Ų4521%0.2124%0.238CC..  trans-103.1151.1172.668.3163.7000110.5S35 V50 L58 M96 S99 D105S35-I101 WeakPolarHBondContact OG-CD1 3.3Å; V50-I101 HydrophobicContact CG1-CD1 3.76Å; V50-I101 HydrophobicContact CG1-CG1 4.44Å; L58-I101 HydrophobicContact CD1-CG2 3.95Å; M96-I101 HydrophobicContact CE-CD1 4.31Å; M96-I101 HydrophobicContact CE-CG1 3.99Å; S99-I101 PolarHBondContact O-N 3.45Å; S99-I101 VanDerWaalsContact O-N 3.11Å; S99-I101 WeakPolarHBondContact OG-CG1 3.49Å; I101-D105 HydrophobicContact CB-CB 4.12Å; I101-D105 HydrophobicContact CD1-CB 4.3Å
102G85.5Confident94.8Very high35 Ų3544.9 Ų44.936%0.36124%0.237SC..  trans-74.3156172.700000111.4R104 D105G102-R104 PolarHBondContact O-N 3.36Å; G102-D105 PolarHBondContact N-OD2 2.87Å; G102-D105 WeakPolarHBondContact O-CB 3.46Å; G102-D105 PolarHBondContact O-N 2.7Å
103L86.7Confident94.8Very high69 Ų6945.1 Ų45.136%0.36124%0.238SC..G310 helixtrans-56.1-23.6172-75.7170.5000113.4M96 D105 L131 L135M96-L103 HydrophobicContact CE-CD2 3.97Å; L103-D105 VanDerWaalsContact C-N 3.31Å; L103-L131 HydrophobicContact CD2-CD1 4.5Å; L103-L135 HydrophobicContact CB-CD2 4.07Å; L103-L135 HydrophobicContact CD2-CD1 4.35Å
104R86.3Confident94.8Very high231 Ų23144.2 Ų44.287%0.87223%0.23SC*.G310 helixtrans-77.8-15.7177.1-65.2-176.3178.8-177.2-0113.6G102 L106G102-R104 PolarHBondContact O-N 3.36Å; R104-L106 VanDerWaalsContact C-N 3.34Å
105D88.6Confident94.8Very high73 Ų7342.6 Ų42.639%0.3922%0.221SC..G310 helixtrans-90.3-7177.7-54.5-46.3000111.6S35 I101 G102 L103 N107S35-D105 PolarHBondContact OG-O 3.48Å; I101-D105 HydrophobicContact CB-CB 4.12Å; I101-D105 HydrophobicContact CD1-CB 4.3Å; G102-D105 PolarHBondContact N-OD2 2.87Å; G102-D105 WeakPolarHBondContact O-CB 3.46Å; G102-D105 PolarHBondContact O-N 2.7Å; L103-D105 VanDerWaalsContact C-N 3.31Å; D105-N107 PolarHBondContact O-OD1 2.87Å; D105-N107 VanDerWaalsContact O-OD1 3.08Å
106L93.3Very high94.6Very high3 Ų343.6 Ų43.62%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-75.3131.6171.5-169.265.9000110.5S35 L37 R104 V109 L135 I137S35-L106 WeakPolarHBondContact OG-CA 3.48Å; L37-L106 HydrophobicContact CB-CD1 3.56Å; L37-L106 HydrophobicContact CB-CD2 3.78Å; L37-L106 HydrophobicContact CB-CG 4.29Å; L37-L106 HydrophobicContact CD2-CD2 4.01Å; R104-L106 VanDerWaalsContact C-N 3.34Å; L106-V109 HydrophobicContact CD2-CG2 4.19Å; L106-L135 HydrophobicContact CD2-CD1 4.02Å; L106-I137 HydrophobicContact CB-CD1 4.27Å; L106-I137 HydrophobicContact CD2-CD1 3.85Å; L106-I137 HydrophobicContact CG-CD1 3.8Å
107N95.3Very high94.6Very high3 Ų344.4 Ų44.42%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-116.8-22.3-176.6-57.4107.3000114F28 A34 S35 D105 I137 P138F28-N107 HydrophobicContact CD1-CB 4.18Å; A34-N107 WeakPolarHBondContact CA-OD1 3.29Å; A34-N107 HydrophobicContact CB-CB 4.24Å; A34-N107 WeakPolarHBondContact CB-OD1 3.49Å; S35-N107 PolarHBondContact N-OD1 2.76Å; S35-N107 VanDerWaalsContact N-OD1 3.16Å; S35-N107 PolarHBondContact O-N 3.49Å; D105-N107 PolarHBondContact O-OD1 2.87Å; D105-N107 VanDerWaalsContact O-OD1 3.08Å; N107-I137 WeakPolarHBondContact O-CB 3.34Å; N107-P138 WeakPolarHBondContact O-CD 3.35Å
108F97.2Very high94.6Very high1 Ų144.2 Ų44.20%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-143.8144.1-179.6-56-90.9000110.2F28 S35 V36 L37 P138 I140 Q379 I386F28-F108 HydrophobicContact CB-CE1 4.46Å; F28-F108 HydrophobicContact CB-CE2 4.43Å; F28-F108 HydrophobicContact CB-CZ 3.83Å; S35-F108 PolarHBondContact O-N 3.01Å; V36-F108 WeakPolarHBondContact CA-O 3.32Å; V36-F108 HydrophobicContact CB-CB 4.47Å; V36-F108 HydrophobicContact CG1-CB 4.19Å; V36-F108 HydrophobicContact CG2-CB 4.11Å; V36-F108 HydrophobicContact CG2-CD2 4.15Å; V36-F108 HydrophobicContact CG2-CG 4.46Å; L37-F108 PolarHBondContact N-O 2.86Å; F108-P138 HydrophobicContact CD1-CB 4.4Å; F108-P138 HydrophobicContact CD1-CG 3.45Å; F108-P138 VanDerWaalsContact CD1-CG 3.45Å; F108-P138 HydrophobicContact CE1-CG 3.57Å; F108-P138 HydrophobicContact CG-CG 4.43Å; F108-I140 HydrophobicContact CB-CD1 3.87Å; F108-I140 HydrophobicContact CB-CG1 4.23Å; F108-I140 HydrophobicContact CD1-CD1 3.92Å; F108-I140 HydrophobicContact CD1-CG1 4.19Å; F108-I140 HydrophobicContact CG-CD1 4.04Å; F108-Q379 HydrophobicContact CD2-CG 4.08Å; F108-Q379 HydrophobicContact CE1-CG 4.24Å; F108-Q379 HydrophobicContact CE2-CG 3.58Å; F108-Q379 HydrophobicContact CZ-CG 3.68Å; F108-I386 HydrophobicContact CD1-CG2 4.12Å; F108-I386 HydrophobicContact CE1-CD1 4.39Å; F108-I386 HydrophobicContact CE1-CG2 3.87Å
109V98.5Very high94.6Very high0 Ų043.3 Ų43.30%023%0.228CC..EExtended strand (participates in β ladder)trans-111.1107.2166.8-1750000108.5L37 I39 L106 A128 L131 A132 I137 P138 I139 I140L37-V109 CarbonylContact O-C 3.37Å; L37-V109 WeakPolarHBondContact O-CA 3.37Å; I39-V109 HydrophobicContact CD1-CG1 3.94Å; L106-V109 HydrophobicContact CD2-CG2 4.19Å; V109-A128 HydrophobicContact CG1-CB 3.76Å; V109-L131 HydrophobicContact CG2-CD2 4.29Å; V109-L131 HydrophobicContact CG2-CG 4.48Å; V109-A132 HydrophobicContact CG2-CB 4.24Å; V109-I137 HydrophobicContact CG2-CD1 3.76Å; V109-I137 HydrophobicContact CG2-CG1 4.24Å; V109-P138 PolarHBondContact N-O 3.5Å; V109-P138 VanDerWaalsContact N-O 3.1Å; V109-I139 HydrophobicContact CB-CG1 4.46Å; V109-I139 CarbonylContact O-C 3.5Å; V109-I139 WeakPolarHBondContact O-CA 3.38Å; V109-I139 WeakPolarHBondContact O-CG2 3.4Å; V109-I140 PolarHBondContact O-N 3Å
110A98.8Very high94.8Very high0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-85.2133.1169.400000109.7V36 L37 G38 I39 I140 I142 I371V36-A110 HydrophobicContact CG1-CB 3.73Å; L37-A110 PolarHBondContact O-N 2.91Å; L37-A110 VanDerWaalsContact O-O 3.14Å; G38-A110 CarbonylContact C-O 3.51Å; G38-A110 VanDerWaalsContact CA-O 3.29Å; G38-A110 WeakPolarHBondContact CA-O 3.48Å; I39-A110 PolarHBondContact N-O 3.46Å; A110-I140 VanDerWaalsContact CA-O 3.28Å; A110-I140 WeakPolarHBondContact CA-O 3.24Å; A110-I140 HydrophobicContact CB-CB 4.2Å; A110-I142 HydrophobicContact CB-CD1 4.36Å; A110-I142 HydrophobicContact CB-CG1 3.88Å; A110-I371 HydrophobicContact CB-CG2 3.95Å; A110-I371 WeakPolarHBondContact CB-O 3.42Å
111V98.9Very high95.1Very high0 Ų035.8 Ų35.80%019%0.187CC..EExtended strand (participates in β ladder)trans-142.9138.6-178.463.20000110.9I39 V113 V125 A128 I139 I140 I142I39-V111 HydrophobicContact CB-CB 4.41Å; I39-V111 HydrophobicContact CB-CG2 4.12Å; I39-V111 HydrophobicContact CG2-CG2 4.28Å; I39-V111 WeakPolarHBondContact O-CA 3.39Å; V111-V113 HydrophobicContact CG1-CG1 4.13Å; V111-V113 PolarHBondContact O-N 2.73Å; V111-V125 HydrophobicContact CG2-CG2 4.36Å; V111-A128 HydrophobicContact CB-CB 3.77Å; V111-A128 HydrophobicContact CG1-CB 3.79Å; V111-A128 HydrophobicContact CG2-CB 3.92Å; V111-I139 HydrophobicContact CG1-CG2 3.8Å; V111-I140 PolarHBondContact N-O 3.34Å; V111-I140 VanDerWaalsContact N-O 3.07Å; V111-I142 PolarHBondContact O-N 3.39Å
112T98.8Very high95.5Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-63.8123.3173.7-53.90000110.7I39 E40 L121 H144 I371I39-T112 PolarHBondContact O-N 3.36Å; I39-T112 VanDerWaalsContact O-N 3.08Å; E40-T112 WeakPolarHBondContact OE1-CB 3.31Å; E40-T112 PolarHBondContact OE1-OG1 3.48Å; E40-T112 PolarHBondContact OE2-OG1 2.86Å; T112-L121 HydrophobicContact CG2-CD2 4.01Å; T112-H144 HydrophobicContact CG2-CB 3.71Å; T112-I371 WeakPolarHBondContact OG1-CD1 3.4Å; T112-I371 WeakPolarHBondContact OG1-CG1 3.45Å
113V98.6Very high96.1Very high10 Ų1039.3 Ų39.36%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-115.2-16.8177.4-60.50000113.3V111 V125 P141 I142 V393 F395 C396V111-V113 HydrophobicContact CG1-CG1 4.13Å; V111-V113 PolarHBondContact O-N 2.73Å; V113-V125 HydrophobicContact CG1-CG2 3.85Å; V113-P141 HydrophobicContact CB-CB 4.3Å; V113-P141 HydrophobicContact CG1-CB 3.73Å; V113-P141 HydrophobicContact CG2-CB 3.6Å; V113-I142 WeakPolarHBondContact CG2-O 3.18Å; V113-I142 PolarHBondContact N-O 3.25Å; V113-V393 HydrophobicContact CG1-CG1 4.23Å; V113-F395 HydrophobicContact CB-CB 4.48Å; V113-F395 CarbonylContact O-C 3.21Å; V113-F395 VanDerWaalsContact O-CA 3.26Å; V113-F395 WeakPolarHBondContact O-CA 3.49Å; V113-F395 VanDerWaalsContact O-CB 3.31Å; V113-F395 WeakPolarHBondContact O-CB 3.1Å; V113-C396 PolarHBondContact O-N 3.41Å
114K98Very high96.7Very high62 Ų6236 Ų3627%0.2718%0.175SC..EExtended strand (participates in β ladder)trans-167.6162.5-179.764.9-177.3-178.8145.10112.4D143 H144 C396 S399K114-D143 WeakPolarHBondContact CE-OD2 3.4Å; K114-D143 HydrophobicContact CG-CB 4.2Å; K114-D143 WeakPolarHBondContact CG-OD2 3.27Å; K114-D143 IonicContact NZ-OD2 2.89Å; K114-D143 CarbonylContact O-C 3.45Å; K114-D143 VanDerWaalsContact O-CA 3.27Å; K114-D143 WeakPolarHBondContact O-CA 3.46Å; K114-H144 WeakPolarHBondContact O-CB 3.21Å; K114-H144 PolarHBondContact O-N 3.42Å; K114-C396 VanDerWaalsContact CA-O 3.25Å; K114-C396 WeakPolarHBondContact CA-O 3.33Å; K114-C396 HydrophobicContact CB-CB 4.13Å; K114-C396 WeakPolarHBondContact CB-O 3.11Å; K114-S399 WeakPolarHBondContact CD-OG 3.48Å; K114-S399 PolarHBondContact NZ-OG 3.38Å
115P96.8Very high97.3Very high17 Ų1725.3 Ų25.311%0.1114%0.135CC..SBendcis-63.2174.2-36.833.6-39.1000110.7M145 P397P115-M145 HydrophobicContact CG-CG 3.84Å; P115-M145 HydrophobicContact CG-SD 3.59Å; P115-M145 VanDerWaalsContact CG-SD 3.59Å; P115-P397 WeakPolarHBondContact CB-O 3.35Å
116G95.5Very high97.8Very high21 Ų2124.8 Ų24.822%0.21614%0.137CC..SBendtrans162.3173.9177.500000112.3S42 P397S42-G116 CarbonylContact O-C 3.2Å; S42-G116 WeakPolarHBondContact O-CA 3.45Å; G116-P397 PolarHBondContact N-O 2.91Å; G116-P397 WeakPolarHBondContact O-CA 3.11Å
117M96.4Very high98Very high33 Ų3326.9 Ų26.916%0.16315%0.146CC..  trans-68127176-67.2-167.3-73.600109.9S42 C43 V75 P77 A80 L119 S120 L121S42-M117 PolarHBondContact O-N 3.15Å; C43-M117 HydrophobicContact CB-CE 4.48Å; C43-M117 WeakPolarHBondContact O-CE 3.35Å; V75-M117 HydrophobicContact CG1-CE 3.42Å; V75-M117 VanDerWaalsContact CG1-CE 3.42Å; V75-M117 HydrophobicContact CG1-SD 4.09Å; P77-M117 HydrophobicContact CB-SD 3.77Å; P77-M117 HydrophobicContact CG-SD 3.73Å; A80-M117 HydrophobicContact CB-CE 3.71Å; M117-L119 VanDerWaalsContact C-N 3.26Å; M117-L119 PolarHBondContact O-N 2.85Å; M117-L119 VanDerWaalsContact O-N 3.15Å; M117-S120 PolarHBondContact O-N 3.29Å; M117-L121 WeakPolarHBondContact O-CG 3.45Å; M117-L121 PolarHBondContact O-N 2.9Å
118P98Very high98.2Very high64 Ų6426.7 Ų26.742%0.41615%0.145SC..Hα-helixtrans-54.3-40.1-174.6-21.123.6000114K122 F395 P397P118-K122 VanDerWaalsContact O-CB 3.31Å; P118-K122 WeakPolarHBondContact O-CB 3.42Å; P118-K122 PolarHBondContact O-N 2.9Å; P118-K122 VanDerWaalsContact O-N 3.11Å; P118-F395 HydrophobicContact CB-CE2 4.02Å; P118-F395 WeakPolarHBondContact O-CE2 3.41Å; P118-P397 HydrophobicContact CB-CG 4.1Å; P118-P397 HydrophobicContact CG-CB 3.99Å; P118-P397 HydrophobicContact CG-CG 3.63Å
119L98.1Very high98.3Very high89 Ų8929.3 Ų29.347%0.46616%0.157SC..Hα-helixtrans-68.8-38.1-179.5-60.8-179.1000111.9A81 M117 I123A81-L119 HydrophobicContact CB-CB 3.67Å; M117-L119 VanDerWaalsContact C-N 3.26Å; M117-L119 PolarHBondContact O-N 2.85Å; M117-L119 VanDerWaalsContact O-N 3.15Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å
120S98.5Very high98.2Very high0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-72.6-48177.9-54.30000111.6T41 C43 H84 M117 K122 I123 G124T41-S120 CarbonylContact O-C 3.55Å; T41-S120 WeakPolarHBondContact O-CB 3.49Å; T41-S120 PolarHBondContact OG1-O 3.12Å; T41-S120 VanDerWaalsContact OG1-O 3.05Å; C43-S120 PolarHBondContact O-OG 2.69Å; H84-S120 VanDerWaalsContact CD2-CB 3.42Å; H84-S120 WeakPolarHBondContact CD2-CB 3.34Å; H84-S120 PolarHBondContact CD2-OG 2.65Å; M117-S120 PolarHBondContact O-N 3.29Å; S120-K122 VanDerWaalsContact C-N 3.28Å; S120-K122 PolarHBondContact O-N 3.26Å; S120-I123 PolarHBondContact O-N 2.94Å; S120-I123 VanDerWaalsContact O-N 3.09Å; S120-G124 PolarHBondContact O-N 3.3Å
121L98.7Very high98.2Very high0 Ų033.5 Ų33.50%019%0.186CC..Hα-helixtrans-56.1-42.6176.6-71.8174.3000112T41 T112 M117 I123 G124 V125 F395T41-L121 PolarHBondContact O-N 2.94Å; T112-L121 HydrophobicContact CG2-CD2 4.01Å; M117-L121 WeakPolarHBondContact O-CG 3.45Å; M117-L121 PolarHBondContact O-N 2.9Å; L121-I123 PolarHBondContact O-N 3.28Å; L121-G124 PolarHBondContact O-N 2.94Å; L121-V125 WeakPolarHBondContact O-CG2 3.35Å; L121-V125 PolarHBondContact O-N 3.38Å; L121-F395 HydrophobicContact CB-CB 3.99Å; L121-F395 HydrophobicContact CB-CD2 3.77Å; L121-F395 HydrophobicContact CB-CE2 4.47Å; L121-F395 HydrophobicContact CB-CG 3.92Å; L121-F395 HydrophobicContact CD1-CB 4.28Å; L121-F395 HydrophobicContact CD1-CD2 4.01Å
122K98.6Very high98.1Very high119 Ų11933.5 Ų33.552%0.51719%0.186SC..Hα-helixtrans-55.5-38.2178.9-178.4178.1178.2-179.50112.3P118 S120 S126 F395P118-K122 VanDerWaalsContact O-CB 3.31Å; P118-K122 WeakPolarHBondContact O-CB 3.42Å; P118-K122 PolarHBondContact O-N 2.9Å; P118-K122 VanDerWaalsContact O-N 3.11Å; S120-K122 VanDerWaalsContact C-N 3.28Å; S120-K122 PolarHBondContact O-N 3.26Å; K122-S126 WeakPolarHBondContact O-CB 3.43Å; K122-S126 PolarHBondContact O-N 3.34Å; K122-S126 PolarHBondContact O-OG 2.97Å; K122-F395 HydrophobicContact CB-CD1 4.5Å; K122-F395 HydrophobicContact CB-CE1 3.74Å; K122-F395 HydrophobicContact CB-CZ 3.85Å; K122-F395 HydrophobicContact CG-CE1 4.09Å; K122-F395 HydrophobicContact CG-CZ 4.42Å
123I98.8Very high98Very high31 Ų3137.1 Ų37.116%0.15921%0.211CC..Hα-helixtrans-69.8-51.4-177.8-66.7163.1000110.2A81 H84 K85 I88 L119 S120 L121 V125 S126 F127A81-I123 HydrophobicContact CB-CD1 3.82Å; A81-I123 WeakPolarHBondContact O-CD1 3.45Å; H84-I123 HydrophobicContact CB-CB 4.38Å; H84-I123 HydrophobicContact CB-CD1 3.91Å; H84-I123 HydrophobicContact CB-CG2 4.01Å; K85-I123 HydrophobicContact CB-CD1 4.11Å; I88-I123 HydrophobicContact CD1-CG2 4.16Å; I88-I123 HydrophobicContact CG2-CG2 4.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; S120-I123 PolarHBondContact O-N 2.94Å; S120-I123 VanDerWaalsContact O-N 3.09Å; L121-I123 PolarHBondContact O-N 3.28Å; I123-V125 PolarHBondContact O-N 2.77Å; I123-S126 PolarHBondContact O-N 2.99Å; I123-F127 WeakPolarHBondContact O-CB 3.31Å; I123-F127 PolarHBondContact O-N 3.38Å
124G98.8Very high97.9Very high0 Ų044.5 Ų44.50%024%0.238CC..Hα-helixtrans-56.1-49.9176.400000112T41 S120 L121 S126 F127 A128T41-G124 VanDerWaalsContact OG1-CA 3.24Å; T41-G124 WeakPolarHBondContact OG1-CA 3.35Å; T41-G124 PolarHBondContact OG1-N 3.5Å; S120-G124 PolarHBondContact O-N 3.3Å; L121-G124 PolarHBondContact O-N 2.94Å; G124-S126 PolarHBondContact O-N 3.16Å; G124-F127 PolarHBondContact O-N 2.87Å; G124-A128 VanDerWaalsContact O-CB 3.3Å; G124-A128 WeakPolarHBondContact O-CB 3.4Å; G124-A128 PolarHBondContact O-N 3.44Å
125V98.8Very high97.8Very high5 Ų543.5 Ų43.53%0.0324%0.235CC..Hα-helixtrans-63.6-43.2179.4173.30000111.7V111 V113 L121 I123 F127 A128 K129 V393 F395V111-V125 HydrophobicContact CG2-CG2 4.36Å; V113-V125 HydrophobicContact CG1-CG2 3.85Å; L121-V125 WeakPolarHBondContact O-CG2 3.35Å; L121-V125 PolarHBondContact O-N 3.38Å; I123-V125 PolarHBondContact O-N 2.77Å; V125-F127 PolarHBondContact O-N 2.91Å; V125-A128 PolarHBondContact O-N 3.42Å; V125-K129 HydrophobicContact CG1-CD 4.31Å; V125-K129 HydrophobicContact CG1-CG 4.32Å; V125-K129 WeakPolarHBondContact O-CB 3.36Å; V125-K129 VanDerWaalsContact O-CG 3.28Å; V125-K129 WeakPolarHBondContact O-CG 3.46Å; V125-K129 PolarHBondContact O-N 3.13Å; V125-V393 HydrophobicContact CG1-CG1 4.28Å; V125-F395 HydrophobicContact CG2-CB 4.13Å
126S98.7Very high97.7Very high63 Ų6351.1 Ų51.144%0.44127%0.267SS..Hα-helixtrans-65.1-40.9179.8-62.60000111.9K122 I123 G124 S130K122-S126 WeakPolarHBondContact O-CB 3.43Å; K122-S126 PolarHBondContact O-N 3.34Å; K122-S126 PolarHBondContact O-OG 2.97Å; I123-S126 PolarHBondContact O-N 2.99Å; G124-S126 PolarHBondContact O-N 3.16Å; S126-S130 WeakPolarHBondContact O-CB 3.37Å; S126-S130 PolarHBondContact O-N 3.22Å
127F98.8Very high97.7Very high46 Ų4650.6 Ų50.620%0.20226%0.259CS..Hα-helixtrans-65.2-47.1174.8-173.4-82000111.4I39 I88 E89 V92 I123 G124 V125 K129 S130 L131I39-F127 HydrophobicContact CD1-CD1 3.8Å; I39-F127 HydrophobicContact CD1-CE1 4.2Å; I88-F127 HydrophobicContact CB-CD2 4.5Å; I88-F127 HydrophobicContact CD1-CB 3.44Å; I88-F127 VanDerWaalsContact CD1-CB 3.44Å; I88-F127 HydrophobicContact CD1-CD1 4.07Å; I88-F127 HydrophobicContact CD1-CD2 4.15Å; I88-F127 HydrophobicContact CD1-CG 3.62Å; I88-F127 HydrophobicContact CG1-CB 4.21Å; I88-F127 HydrophobicContact CG1-CD1 4.12Å; I88-F127 HydrophobicContact CG1-CD2 3.98Å; I88-F127 HydrophobicContact CG1-CE2 4.39Å; I88-F127 HydrophobicContact CG1-CG 3.83Å; I88-F127 HydrophobicContact CG2-CD2 3.79Å; I88-F127 HydrophobicContact CG2-CE2 4.26Å; I88-F127 HydrophobicContact CG2-CG 4.38Å; E89-F127 HydrophobicContact CB-CE2 4.06Å; V92-F127 HydrophobicContact CB-CE1 4Å; V92-F127 HydrophobicContact CB-CZ 4.04Å; V92-F127 HydrophobicContact CG1-CE1 3.95Å; V92-F127 HydrophobicContact CG1-CZ 4.18Å; V92-F127 HydrophobicContact CG2-CD1 4.4Å; V92-F127 HydrophobicContact CG2-CE1 3.7Å; V92-F127 HydrophobicContact CG2-CZ 4.12Å; I123-F127 WeakPolarHBondContact O-CB 3.31Å; I123-F127 PolarHBondContact O-N 3.38Å; G124-F127 PolarHBondContact O-N 2.87Å; V125-F127 PolarHBondContact O-N 2.91Å; F127-K129 PolarHBondContact O-N 3.23Å; F127-S130 PolarHBondContact O-N 3.02Å; F127-L131 HydrophobicContact CE1-CB 4.5Å; F127-L131 HydrophobicContact CE1-CD2 4.19Å; F127-L131 WeakPolarHBondContact O-CB 3.38Å; F127-L131 PolarHBondContact O-N 3.24Å
128A98.7Very high97.8Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-58.4-45.217700000111.7I39 V109 V111 G124 V125 L131 A132 I139I39-A128 HydrophobicContact CD1-CB 4.27Å; V109-A128 HydrophobicContact CG1-CB 3.76Å; V111-A128 HydrophobicContact CB-CB 3.77Å; V111-A128 HydrophobicContact CG1-CB 3.79Å; V111-A128 HydrophobicContact CG2-CB 3.92Å; G124-A128 VanDerWaalsContact O-CB 3.3Å; G124-A128 WeakPolarHBondContact O-CB 3.4Å; G124-A128 PolarHBondContact O-N 3.44Å; V125-A128 PolarHBondContact O-N 3.42Å; A128-L131 PolarHBondContact O-N 3.07Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.41Å; A128-I139 HydrophobicContact CB-CD1 4.37Å
129K98.7Very high97.8Very high55 Ų5546.2 Ų46.224%0.23923%0.233CC..Hα-helixtrans-58-47.9174-74.9-170.6177.1-166.70112.7V125 F127 S133 I139 I390 S391 V393V125-K129 HydrophobicContact CG1-CD 4.31Å; V125-K129 HydrophobicContact CG1-CG 4.32Å; V125-K129 WeakPolarHBondContact O-CB 3.36Å; V125-K129 VanDerWaalsContact O-CG 3.28Å; V125-K129 WeakPolarHBondContact O-CG 3.46Å; V125-K129 PolarHBondContact O-N 3.13Å; F127-K129 PolarHBondContact O-N 3.23Å; K129-S133 WeakPolarHBondContact O-CB 3.39Å; K129-S133 PolarHBondContact O-N 2.83Å; K129-I139 HydrophobicContact CB-CD1 4.47Å; K129-I139 HydrophobicContact CG-CD1 4Å; K129-I390 HydrophobicContact CB-CG2 3.71Å; K129-I390 HydrophobicContact CD-CG2 4.31Å; K129-I390 WeakPolarHBondContact CE-O 3.46Å; K129-I390 HydrophobicContact CG-CG2 3.64Å; K129-I390 PolarHBondContact NZ-O 2.84Å; K129-S391 PolarHBondContact NZ-O 3.4Å; K129-S391 VanDerWaalsContact NZ-O 3.15Å; K129-V393 WeakPolarHBondContact CE-O 3.16Å; K129-V393 PolarHBondContact NZ-O 2.99Å
130S98.2Very high97.8Very high83 Ų8342 Ų4258%0.5821%0.21SC*.Hα-helixtrans-60.7-47.7178.8-177.20000111.5S126 F127 S133 R134S126-S130 WeakPolarHBondContact O-CB 3.37Å; S126-S130 PolarHBondContact O-N 3.22Å; F127-S130 PolarHBondContact O-N 3.02Å; S130-S133 PolarHBondContact O-N 3.5Å; S130-R134 WeakPolarHBondContact O-CB 3.31Å; S130-R134 PolarHBondContact O-N 2.9Å
131L97.1Very high97.8Very high6 Ų642.9 Ų42.93%0.03122%0.216CC..Hα-helixtrans-64.8-50.2179.9-178.462000112L37 L103 V109 F127 A128 S133 R134 L135L37-L131 HydrophobicContact CD2-CD2 3.41Å; L37-L131 VanDerWaalsContact CD2-CD2 3.41Å; L103-L131 HydrophobicContact CD2-CD1 4.5Å; V109-L131 HydrophobicContact CG2-CD2 4.29Å; V109-L131 HydrophobicContact CG2-CG 4.48Å; F127-L131 HydrophobicContact CE1-CB 4.5Å; F127-L131 HydrophobicContact CE1-CD2 4.19Å; F127-L131 WeakPolarHBondContact O-CB 3.38Å; F127-L131 PolarHBondContact O-N 3.24Å; A128-L131 PolarHBondContact O-N 3.07Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.98Å; L131-R134 PolarHBondContact O-N 3.47Å; L131-L135 HydrophobicContact CD1-CD1 3.75Å; L131-L135 HydrophobicContact CD1-CG 4.18Å; L131-L135 HydrophobicContact CG-CD1 4.06Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 3.03Å
132A97.7Very high97.8Very high0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-60.1-40.8179.100000111.7V109 A128 L135 K136 I137 I139 I390V109-A132 HydrophobicContact CG2-CB 4.24Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.41Å; A132-L135 CarbonylContact O-C 3.6Å; A132-L135 PolarHBondContact O-N 2.95Å; A132-K136 WeakPolarHBondContact O-CA 3.4Å; A132-K136 PolarHBondContact O-N 3.43Å; A132-I137 HydrophobicContact CB-CG1 4.37Å; A132-I137 WeakPolarHBondContact CB-O 3.25Å; A132-I137 PolarHBondContact O-N 3.01Å; A132-I139 HydrophobicContact CB-CD1 3.77Å; A132-I139 HydrophobicContact CB-CG1 3.5Å; A132-I139 VanDerWaalsContact CB-CG1 3.5Å; A132-I390 VanDerWaalsContact C-CD1 3.47Å; A132-I390 HydrophobicContact CB-CD1 3.71Å; A132-I390 HydrophobicContact CB-CG1 4.23Å
133S97Very high97.8Very high76 Ų7637.3 Ų37.353%0.53119%0.192SC..Hα-helixtrans-65.8-43.8178.5-1800000111.4K129 S130 L131 L135 K136K129-S133 WeakPolarHBondContact O-CB 3.39Å; K129-S133 PolarHBondContact O-N 2.83Å; S130-S133 PolarHBondContact O-N 3.5Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.98Å; S133-L135 VanDerWaalsContact C-N 3.35Å; S133-L135 PolarHBondContact O-N 3.44Å; S133-K136 PolarHBondContact O-N 3.04Å
134R96.1Very high97.7Very high164 Ų16436 Ų3662%0.61919%0.185SC*.Hα-helixtrans-63.1-39.2176.5-179.3171.960139.5-2.5112.6S130 L131S130-R134 WeakPolarHBondContact O-CB 3.31Å; S130-R134 PolarHBondContact O-N 2.9Å; L131-R134 PolarHBondContact O-N 3.47Å
135L94.9Very high97.6Very high41 Ų4136.5 Ų36.522%0.21519%0.188CC..Hα-helixtrans-88.3-9.6-179.3-62.6-179.7000113.5L103 L106 L131 A132 S133 I137L103-L135 HydrophobicContact CB-CD2 4.07Å; L103-L135 HydrophobicContact CD2-CD1 4.35Å; L106-L135 HydrophobicContact CD2-CD1 4.02Å; L131-L135 HydrophobicContact CD1-CD1 3.75Å; L131-L135 HydrophobicContact CD1-CG 4.18Å; L131-L135 HydrophobicContact CG-CD1 4.06Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 3.03Å; A132-L135 CarbonylContact O-C 3.6Å; A132-L135 PolarHBondContact O-N 2.95Å; S133-L135 VanDerWaalsContact C-N 3.35Å; S133-L135 PolarHBondContact O-N 3.44Å; L135-I137 VanDerWaalsContact C-N 3.34Å; L135-I137 HydrophobicContact CB-CD1 3.98Å; L135-I137 HydrophobicContact CB-CG1 3.92Å; L135-I137 HydrophobicContact CB-CG2 4.31Å; L135-I137 HydrophobicContact CD1-CD1 3.92Å
136K95.5Very high97.6Very high178 Ų17837.2 Ų37.277%0.77419%0.191SC*.THydrogen-bonded Turntrans54.247.6-173.7-56.1-177.4179.6-177.90112.4A132 S133A132-K136 WeakPolarHBondContact O-CA 3.4Å; A132-K136 PolarHBondContact O-N 3.43Å; S133-K136 PolarHBondContact O-N 3.04Å
137I95.9Very high97.5Very high9 Ų934.2 Ų34.25%0.04617%0.17CC..  trans-121150.9178.561.4-180000110.9F28 L106 N107 V109 A132 L135F28-I137 HydrophobicContact CE1-CG2 4.08Å; F28-I137 HydrophobicContact CZ-CG2 4.26Å; L106-I137 HydrophobicContact CB-CD1 4.27Å; L106-I137 HydrophobicContact CD2-CD1 3.85Å; L106-I137 HydrophobicContact CG-CD1 3.8Å; N107-I137 WeakPolarHBondContact O-CB 3.34Å; V109-I137 HydrophobicContact CG2-CD1 3.76Å; V109-I137 HydrophobicContact CG2-CG1 4.24Å; A132-I137 HydrophobicContact CB-CG1 4.37Å; A132-I137 WeakPolarHBondContact CB-O 3.25Å; A132-I137 PolarHBondContact O-N 3.01Å; L135-I137 VanDerWaalsContact C-N 3.34Å; L135-I137 HydrophobicContact CB-CD1 3.98Å; L135-I137 HydrophobicContact CB-CG1 3.92Å; L135-I137 HydrophobicContact CB-CG2 4.31Å; L135-I137 HydrophobicContact CD1-CD1 3.92Å
138P97.4Very high97.4Very high5 Ų532.3 Ų32.33%0.03216%0.162CC..  trans-67.5159.1178.827.3-37.2000113.5N107 F108 V109 I386 I387 E388N107-P138 WeakPolarHBondContact O-CD 3.35Å; F108-P138 HydrophobicContact CD1-CB 4.4Å; F108-P138 HydrophobicContact CD1-CG 3.45Å; F108-P138 VanDerWaalsContact CD1-CG 3.45Å; F108-P138 HydrophobicContact CE1-CG 3.57Å; F108-P138 HydrophobicContact CG-CG 4.43Å; V109-P138 PolarHBondContact N-O 3.5Å; V109-P138 VanDerWaalsContact N-O 3.1Å; P138-I386 HydrophobicContact CB-CG2 3.72Å; P138-I386 HydrophobicContact CG-CG2 3.97Å; P138-I387 VanDerWaalsContact CA-O 3.31Å; P138-I387 WeakPolarHBondContact CA-O 3.45Å; P138-I387 WeakPolarHBondContact CB-O 3.32Å; P138-E388 HydrophobicContact CB-CG 4.34Å
139I98.6Very high97.4Very high0 Ų032.3 Ų32.30%016%0.162CC..EExtended strand (participates in β ladder)trans-104.8141.9171.1-66.8-180000109.6V109 V111 A128 K129 A132 I387 I390 V393V109-I139 HydrophobicContact CB-CG1 4.46Å; V109-I139 CarbonylContact O-C 3.5Å; V109-I139 WeakPolarHBondContact O-CA 3.38Å; V109-I139 WeakPolarHBondContact O-CG2 3.4Å; V111-I139 HydrophobicContact CG1-CG2 3.8Å; A128-I139 HydrophobicContact CB-CD1 4.37Å; K129-I139 HydrophobicContact CB-CD1 4.47Å; K129-I139 HydrophobicContact CG-CD1 4Å; A132-I139 HydrophobicContact CB-CD1 3.77Å; A132-I139 HydrophobicContact CB-CG1 3.5Å; A132-I139 VanDerWaalsContact CB-CG1 3.5Å; I139-I387 PolarHBondContact N-O 3.38Å; I139-I387 PolarHBondContact O-N 2.86Å; I139-I390 HydrophobicContact CD1-CG1 4.33Å; I139-I390 HydrophobicContact CD1-CG2 3.88Å; I139-I390 HydrophobicContact CG1-CG1 4.44Å; I139-V393 HydrophobicContact CB-CG2 4.11Å; I139-V393 HydrophobicContact CD1-CG2 4.42Å; I139-V393 HydrophobicContact CG2-CG1 4.19Å; I139-V393 HydrophobicContact CG2-CG2 4.07Å
140I98.6Very high97.3Very high0 Ų029.7 Ų29.70%015%0.15CC..EExtended strand (participates in β ladder)trans-110.3102.1170.4-47.1-179.1000107.7F108 V109 A110 V111 I142 G375 L378 Q379 I386F108-I140 HydrophobicContact CB-CD1 3.87Å; F108-I140 HydrophobicContact CB-CG1 4.23Å; F108-I140 HydrophobicContact CD1-CD1 3.92Å; F108-I140 HydrophobicContact CD1-CG1 4.19Å; F108-I140 HydrophobicContact CG-CD1 4.04Å; V109-I140 PolarHBondContact O-N 3Å; A110-I140 VanDerWaalsContact CA-O 3.28Å; A110-I140 WeakPolarHBondContact CA-O 3.24Å; A110-I140 HydrophobicContact CB-CB 4.2Å; V111-I140 PolarHBondContact N-O 3.34Å; V111-I140 VanDerWaalsContact N-O 3.07Å; I140-I142 HydrophobicContact CB-CD1 4.39Å; I140-I142 HydrophobicContact CG2-CD1 3.69Å; I140-I142 WeakPolarHBondContact O-CG1 3.47Å; I140-I142 PolarHBondContact O-N 2.87Å; I140-G375 WeakPolarHBondContact CD1-O 3.36Å; I140-L378 HydrophobicContact CG2-CB 4.21Å; I140-L378 HydrophobicContact CG2-CD1 3.66Å; I140-Q379 HydrophobicContact CD1-CB 4.39Å; I140-I386 HydrophobicContact CD1-CG1 4.26Å; I140-I386 HydrophobicContact CG1-CG1 4.18Å
141P98.6Very high97.3Very high19 Ų1925.9 Ų25.912%0.12312%0.123CC..EExtended strand (participates in β ladder)trans-67.2123.4175.8-16.932.4000109.2V113 R385 I387 V393V113-P141 HydrophobicContact CB-CB 4.3Å; V113-P141 HydrophobicContact CG1-CB 3.73Å; V113-P141 HydrophobicContact CG2-CB 3.6Å; P141-R385 WeakPolarHBondContact CD-O 3.2Å; P141-R385 VanDerWaalsContact O-CZ 3.25Å; P141-R385 PolarHBondContact O-NE 2.91Å; P141-R385 VanDerWaalsContact O-NE 3.08Å; P141-R385 PolarHBondContact O-NH2 3.22Å; P141-I387 HydrophobicContact CG-CG1 3.91Å; P141-V393 HydrophobicContact CG-CG1 4.19Å; P141-V393 HydrophobicContact CG-CG2 4.35Å
142I98.8Very high97.3Very high0 Ų025.6 Ų25.60%012%0.122CC..EExtended strand (participates in β ladder)trans-107.9139.4-176.1-60.7-53.9000110.9A110 V111 V113 I140 A147 I371 N374 L378A110-I142 HydrophobicContact CB-CD1 4.36Å; A110-I142 HydrophobicContact CB-CG1 3.88Å; V111-I142 PolarHBondContact O-N 3.39Å; V113-I142 WeakPolarHBondContact CG2-O 3.18Å; V113-I142 PolarHBondContact N-O 3.25Å; I140-I142 HydrophobicContact CB-CD1 4.39Å; I140-I142 HydrophobicContact CG2-CD1 3.69Å; I140-I142 WeakPolarHBondContact O-CG1 3.47Å; I140-I142 PolarHBondContact O-N 2.87Å; I142-A147 HydrophobicContact CG2-CB 3.85Å; I142-I371 HydrophobicContact CB-CD1 4.35Å; I142-I371 HydrophobicContact CB-CG2 4.08Å; I142-I371 HydrophobicContact CG1-CG2 3.83Å; I142-I371 HydrophobicContact CG2-CD1 3.68Å; I142-I371 HydrophobicContact CG2-CG2 4.35Å; I142-N374 HydrophobicContact CD1-CB 4.09Å; I142-N374 HydrophobicContact CG2-CB 4.1Å; I142-N374 WeakPolarHBondContact CG2-ND2 3.47Å; I142-L378 HydrophobicContact CD1-CD1 3.64Å
143D98.2Very high97.3Very high2 Ų226.7 Ų26.71%0.01113%0.128CC..EExtended strand (participates in β ladder)trans-88.3124.2166.2-172.7-55.9000107.8K114 M145 E146 A147 S399K114-D143 WeakPolarHBondContact CE-OD2 3.4Å; K114-D143 HydrophobicContact CG-CB 4.2Å; K114-D143 WeakPolarHBondContact CG-OD2 3.27Å; K114-D143 IonicContact NZ-OD2 2.89Å; K114-D143 CarbonylContact O-C 3.45Å; K114-D143 VanDerWaalsContact O-CA 3.27Å; K114-D143 WeakPolarHBondContact O-CA 3.46Å; D143-M145 VanDerWaalsContact C-N 3.27Å; D143-M145 PolarHBondContact O-N 2.6Å; D143-M145 WeakPolarHBondContact OD1-CB 3.44Å; D143-M145 PolarHBondContact OD1-N 2.89Å; D143-E146 HydrophobicContact CB-CB 3.98Å; D143-E146 VanDerWaalsContact CB-CD 3.49Å; D143-E146 HydrophobicContact CB-CG 3.63Å; D143-E146 WeakPolarHBondContact O-CB 3.41Å; D143-E146 PolarHBondContact O-N 3.45Å; D143-E146 PolarHBondContact OD1-N 3.23Å; D143-A147 PolarHBondContact O-N 3.48Å; D143-S399 VanDerWaalsContact OD2-CB 3.26Å; D143-S399 WeakPolarHBondContact OD2-CB 3.17Å; D143-S399 PolarHBondContact OD2-OG 2.91Å
144H97.7Very high97.3Very high4 Ų425.2 Ų25.22%0.01911%0.112CC..Hα-helixtrans-56.1-40.7-178.4174.680.7000112.4E40 S42 T112 K114 A147 H148 H172 D366 M370E40-H144 IonicContact OE2-CE1 3.36Å; E40-H144 IonicContact OE2-CG 3.95Å; E40-H144 IonicContact OE2-ND1 3.97Å; E40-H144 PolarHBondContact OE2-ND1 3.36Å; S42-H144 PolarHBondContact OG-CE1 2.92Å; S42-H144 PolarHBondContact OG-ND1 2.69Å; T112-H144 HydrophobicContact CG2-CB 3.71Å; K114-H144 WeakPolarHBondContact O-CB 3.21Å; K114-H144 PolarHBondContact O-N 3.42Å; H144-A147 PolarHBondContact O-N 3.11Å; H144-H148 AromaticContact CD2-CD2 3.88Å; H144-H148 AromaticContact CE1-CD2 3.55Å; H144-H148 AromaticContact CE1-NE2 3.43Å; H144-H148 PolarHBondContact CE1-NE2 3.29Å; H144-H148 AromaticContact NE2-CD2 3.34Å; H144-H148 PolarHBondContact NE2-CD2 3.4Å; H144-H148 VanDerWaalsContact NE2-CD2 3.34Å; H144-H148 AromaticContact NE2-NE2 3.48Å; H144-H148 PolarHBondContact NE2-NE2 3.08Å; H144-H148 PolarHBondContact O-CD2 3.29Å; H144-H148 PolarHBondContact O-N 3.19Å; H144-H148 VanDerWaalsContact O-N 3.07Å; H144-H172 AromaticContact CD2-CE1 3.59Å; H144-H172 AromaticContact NE2-CE1 3.59Å; H144-D366 IonicContact CE1-OD1 3.72Å; H144-D366 PolarHBondContact CE1-OD1 3.39Å; H144-D366 IonicContact CE1-OD2 3.2Å; H144-D366 PolarHBondContact CE1-OD2 3.14Å; H144-D366 IonicContact NE2-OD1 3.61Å; H144-D366 IonicContact NE2-OD2 3.66Å; H144-M370 WeakPolarHBondContact ND1-CE 3.44Å
145M96.2Very high97.3Very high10 Ų1020 Ų205%0.04910%0.098CC..Hα-helixtrans-74.6-38.1-176.1-53.8161.977.300110.4P115 D143 A147 H148 A149 L167 I174 F401P115-M145 HydrophobicContact CG-CG 3.84Å; P115-M145 HydrophobicContact CG-SD 3.59Å; P115-M145 VanDerWaalsContact CG-SD 3.59Å; D143-M145 VanDerWaalsContact C-N 3.27Å; D143-M145 PolarHBondContact O-N 2.6Å; D143-M145 WeakPolarHBondContact OD1-CB 3.44Å; D143-M145 PolarHBondContact OD1-N 2.89Å; M145-A147 VanDerWaalsContact C-N 3.35Å; M145-H148 PolarHBondContact O-N 3Å; M145-A149 WeakPolarHBondContact O-CB 3.36Å; M145-A149 PolarHBondContact O-N 2.98Å; M145-L167 HydrophobicContact CB-CD1 4.33Å; M145-L167 WeakPolarHBondContact O-CD1 3.38Å; M145-I174 HydrophobicContact CE-CD1 2.83Å; M145-I174 HydrophobicContact CE-CG1 4.32Å; M145-F401 HydrophobicContact CB-CD2 3.93Å; M145-F401 HydrophobicContact CB-CE2 4.22Å; M145-F401 HydrophobicContact CE-CB 4.11Å; M145-F401 HydrophobicContact CE-CD2 4.18Å
146E97.6Very high97.4Very high20 Ų2019.3 Ų19.39%0.09310%0.095CC..Hα-helixtrans-62.7-42.7171.8-62.2-179.3177.500111.3D143 H148 A149 L150 Y184 R385D143-E146 HydrophobicContact CB-CB 3.98Å; D143-E146 VanDerWaalsContact CB-CD 3.49Å; D143-E146 HydrophobicContact CB-CG 3.63Å; D143-E146 WeakPolarHBondContact O-CB 3.41Å; D143-E146 PolarHBondContact O-N 3.45Å; D143-E146 PolarHBondContact OD1-N 3.23Å; E146-H148 PolarHBondContact O-N 3.42Å; E146-A149 PolarHBondContact O-N 2.93Å; E146-A149 VanDerWaalsContact O-N 3.14Å; E146-L150 WeakPolarHBondContact O-CB 3.24Å; E146-L150 VanDerWaalsContact O-CG 3.27Å; E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 2.87Å; E146-Y184 HydrophobicContact CB-CE1 4.45Å; E146-Y184 HydrophobicContact CB-CE2 4.2Å; E146-Y184 WeakPolarHBondContact CB-OH 3.42Å; E146-Y184 HydrophobicContact CG-CD2 4.12Å; E146-Y184 HydrophobicContact CG-CE1 4.25Å; E146-Y184 HydrophobicContact CG-CE2 3.4Å; E146-Y184 VanDerWaalsContact CG-CZ 3.49Å; E146-Y184 WeakPolarHBondContact OE1-CE2 3.45Å; E146-R385 IonicContact OE1-NH1 3.54Å; E146-R385 IonicContact OE2-CZ 3.64Å; E146-R385 IonicContact OE2-NH1 3.71Å; E146-R385 PolarHBondContact OE2-NH1 2.65Å; E146-R385 IonicContact OE2-NH2 2.69Å
147A98.2Very high97.2Very high0 Ų016.5 Ų16.50%010%0.095CC..Hα-helixtrans-60.2-45.1177.400000112I142 D143 H144 M145 A149 L150 T151 M370 I371 N374I142-A147 HydrophobicContact CG2-CB 3.85Å; D143-A147 PolarHBondContact O-N 3.48Å; H144-A147 PolarHBondContact O-N 3.11Å; M145-A147 VanDerWaalsContact C-N 3.35Å; A147-A149 PolarHBondContact O-N 2.95Å; A147-L150 PolarHBondContact O-N 3.45Å; A147-T151 PolarHBondContact O-N 3.47Å; A147-T151 VanDerWaalsContact O-N 3.11Å; A147-T151 PolarHBondContact O-OG1 2.94Å; A147-M370 HydrophobicContact CB-CB 4.07Å; A147-M370 HydrophobicContact CB-CG 3.93Å; A147-M370 HydrophobicContact CB-SD 4.23Å; A147-I371 HydrophobicContact CB-CD1 3.64Å; A147-N374 HydrophobicContact CB-CB 4.23Å; A147-N374 PolarHBondContact N-ND2 2.92Å
148H96.9Very high97.2Very high7 Ų722.7 Ų22.73%0.03212%0.123CC..Hα-helixtrans-59.1-44.8172-91.1-65.3000112.3H144 M145 E146 L150 T151 L167 D366 M370H144-H148 AromaticContact CD2-CD2 3.88Å; H144-H148 AromaticContact CE1-CD2 3.55Å; H144-H148 AromaticContact CE1-NE2 3.43Å; H144-H148 PolarHBondContact CE1-NE2 3.29Å; H144-H148 AromaticContact NE2-CD2 3.34Å; H144-H148 PolarHBondContact NE2-CD2 3.4Å; H144-H148 VanDerWaalsContact NE2-CD2 3.34Å; H144-H148 AromaticContact NE2-NE2 3.48Å; H144-H148 PolarHBondContact NE2-NE2 3.08Å; H144-H148 PolarHBondContact O-CD2 3.29Å; H144-H148 PolarHBondContact O-N 3.19Å; H144-H148 VanDerWaalsContact O-N 3.07Å; M145-H148 PolarHBondContact O-N 3Å; E146-H148 PolarHBondContact O-N 3.42Å; H148-L150 VanDerWaalsContact C-N 3.3Å; H148-L150 PolarHBondContact O-N 2.93Å; H148-T151 PolarHBondContact O-N 3.27Å; H148-L167 HydrophobicContact CB-CD1 4.18Å; H148-L167 HydrophobicContact CB-CD2 3.9Å; H148-D366 IonicContact CD2-OD1 3.32Å; H148-D366 IonicContact CE1-OD1 3.52Å; H148-D366 PolarHBondContact CE1-OD1 2.89Å; H148-D366 IonicContact NE2-OD1 2.78Å; H148-D366 PolarHBondContact NE2-OD1 3.23Å; H148-M370 VanDerWaalsContact CE1-SD 3.6Å
149A97.2Very high97.2Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-65.3-30.9-179.500000113.5M145 E146 A147 Y163 I165 V178 Y184 F401M145-A149 WeakPolarHBondContact O-CB 3.36Å; M145-A149 PolarHBondContact O-N 2.98Å; E146-A149 PolarHBondContact O-N 2.93Å; E146-A149 VanDerWaalsContact O-N 3.14Å; A147-A149 PolarHBondContact O-N 2.95Å; A149-Y163 PolarHBondContact O-OH 3.5Å; A149-I165 HydrophobicContact CB-CD1 4.44Å; A149-I165 HydrophobicContact CB-CG1 3.97Å; A149-V178 HydrophobicContact CB-CG2 4.03Å; A149-Y184 HydrophobicContact CB-CE1 4.39Å; A149-F401 HydrophobicContact CB-CE2 4.32Å; A149-F401 HydrophobicContact CB-CZ 4.18Å
150L97.7Very high97Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-90.9-11.6-178.5-66.1170.6000113.6E146 A147 H148 A152 L153 F161 V178 L181 W373 N374 L377E146-L150 WeakPolarHBondContact O-CB 3.24Å; E146-L150 VanDerWaalsContact O-CG 3.27Å; E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 2.87Å; A147-L150 PolarHBondContact O-N 3.45Å; H148-L150 VanDerWaalsContact C-N 3.3Å; H148-L150 PolarHBondContact O-N 2.93Å; L150-A152 PolarHBondContact O-N 3.35Å; L150-L153 HydrophobicContact CD2-CD1 3.59Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 3.27Å; L150-F161 HydrophobicContact CD2-CE1 4.2Å; L150-F161 HydrophobicContact CD2-CZ 4.03Å; L150-V178 HydrophobicContact CD2-CG1 4.38Å; L150-L181 HydrophobicContact CD1-CD2 4.09Å; L150-L181 HydrophobicContact CD2-CD2 3.74Å; L150-W373 PolarHBondContact O-NE1 2.78Å; L150-W373 VanDerWaalsContact O-NE1 3.1Å; L150-N374 HydrophobicContact CD1-CB 4.36Å; L150-N374 WeakPolarHBondContact CD1-OD1 3.34Å; L150-L377 HydrophobicContact CB-CD1 3.99Å; L150-L377 HydrophobicContact CD1-CD1 4.05Å; L150-L377 HydrophobicContact CD2-CD1 4.22Å; L150-L377 HydrophobicContact CG-CD1 4.32Å
151T97.7Very high96.9Very high2 Ų233.5 Ų33.51%0.01217%0.17CC..Hα-helixtrans-59.1-31.3-179.7-64.50000112.4A147 H148 L153 F154 T155 P359 L363 M370A147-T151 PolarHBondContact O-N 3.47Å; A147-T151 VanDerWaalsContact O-N 3.11Å; A147-T151 PolarHBondContact O-OG1 2.94Å; H148-T151 PolarHBondContact O-N 3.27Å; T151-L153 PolarHBondContact O-N 3.3Å; T151-F154 VanDerWaalsContact O-CB 3.26Å; T151-F154 WeakPolarHBondContact O-CB 3.44Å; T151-F154 PolarHBondContact O-N 3.27Å; T151-T155 PolarHBondContact O-N 2.88Å; T151-P359 HydrophobicContact CG2-CB 4.12Å; T151-P359 HydrophobicContact CG2-CG 3.98Å; T151-L363 HydrophobicContact CG2-CB 4.03Å; T151-M370 WeakPolarHBondContact OG1-CB 3.22Å
152A97.3Very high96.8Very high0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-62.1-31.2176.400000113.4L150 F154 T155 D156 L159 V330 V357 P359L150-A152 PolarHBondContact O-N 3.35Å; A152-F154 VanDerWaalsContact C-N 3.25Å; A152-F154 PolarHBondContact O-N 2.64Å; A152-T155 PolarHBondContact O-N 3.45Å; A152-T155 PolarHBondContact O-OG1 2.95Å; A152-T155 VanDerWaalsContact O-OG1 3.06Å; A152-D156 PolarHBondContact O-N 2.99Å; A152-L159 HydrophobicContact CB-CD2 3.61Å; A152-V330 HydrophobicContact CB-CB 4.49Å; A152-V330 HydrophobicContact CB-CG1 3.37Å; A152-V330 HydrophobicContact CB-CG2 4.25Å; A152-V357 HydrophobicContact CB-CG1 4.1Å; A152-P359 HydrophobicContact CB-CG 4.37Å
153L97.2Very high96.7Very high23 Ų2333.1 Ų33.112%0.1217%0.168CC..Hα-helixtrans-69.4-24.9175.5-63.7164.8000112.3L150 T151 L159 F161 Y163 W373 L377L150-L153 HydrophobicContact CD2-CD1 3.59Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 3.27Å; T151-L153 PolarHBondContact O-N 3.3Å; L153-L159 HydrophobicContact CD2-CB 4.02Å; L153-L159 HydrophobicContact CD2-CD2 3.94Å; L153-L159 HydrophobicContact CD2-CG 3.93Å; L153-L159 WeakPolarHBondContact CD2-O 3.39Å; L153-L159 HydrophobicContact CG-CD2 4.25Å; L153-F161 HydrophobicContact CD1-CE1 3.91Å; L153-F161 HydrophobicContact CD1-CE2 4.32Å; L153-F161 HydrophobicContact CD1-CZ 3.48Å; L153-F161 VanDerWaalsContact CD1-CZ 3.48Å; L153-Y163 HydrophobicContact CD1-CE1 4.4Å; L153-Y163 HydrophobicContact CD2-CE1 4.17Å; L153-Y163 HydrophobicContact CG-CE1 4.29Å; L153-W373 HydrophobicContact CB-CZ2 4.19Å; L153-L377 HydrophobicContact CD1-CD1 4.28Å
154F96.9Very high96.7Very high46 Ų4633 Ų3320%0.20217%0.167CC..Hα-helixtrans-71-40.6173.8-179.8-109.9000110.9I51 G55 L57 T151 A152 L363 I369 W373I51-F154 HydrophobicContact CD1-CE2 4.22Å; G55-F154 WeakPolarHBondContact O-CE2 3.45Å; L57-F154 HydrophobicContact CB-CZ 4.07Å; T151-F154 VanDerWaalsContact O-CB 3.26Å; T151-F154 WeakPolarHBondContact O-CB 3.44Å; T151-F154 PolarHBondContact O-N 3.27Å; A152-F154 VanDerWaalsContact C-N 3.25Å; A152-F154 PolarHBondContact O-N 2.64Å; F154-L363 HydrophobicContact CD1-CD1 4.13Å; F154-L363 HydrophobicContact CE1-CD1 4.27Å; F154-I369 HydrophobicContact CD1-CG2 4.07Å; F154-I369 HydrophobicContact CE1-CG2 3.78Å; F154-I369 HydrophobicContact CZ-CG2 4.09Å; F154-W373 HydrophobicContact CB-CD2 3.97Å; F154-W373 HydrophobicContact CB-CG 3.86Å; F154-W373 HydrophobicContact CB-CZ2 4.49Å; F154-W373 AromaticContact CD2-CD2 3.88Å; F154-W373 HydrophobicContact CD2-CD2 3.88Å; F154-W373 AromaticContact CD2-CE3 3.95Å; F154-W373 HydrophobicContact CD2-CE3 3.95Å; F154-W373 HydrophobicContact CD2-CG 4.15Å; F154-W373 HydrophobicContact CD2-CZ3 4.48Å; F154-W373 HydrophobicContact CG-CD2 4.37Å; F154-W373 HydrophobicContact CG-CG 4.31Å
155T96.2Very high96.7Very high53 Ų5332.8 Ų32.833%0.32517%0.166SC..Hα-helixtrans-87.1-26.2-175.155.90000113.8T151 A152 P359 L363T151-T155 PolarHBondContact O-N 2.88Å; A152-T155 PolarHBondContact O-N 3.45Å; A152-T155 PolarHBondContact O-OG1 2.95Å; A152-T155 VanDerWaalsContact O-OG1 3.06Å; T155-P359 HydrophobicContact CG2-CB 4.26Å; T155-L363 HydrophobicContact CG2-CD1 3.64Å
156D96.6Very high96.9Very high28 Ų2832.3 Ų32.315%0.1516%0.164CC..  trans-131.988.8-179.3-173.2-12.5000109.7A152 Q158 L159 R355 V357A152-D156 PolarHBondContact O-N 2.99Å; D156-Q158 PolarHBondContact O-N 3.05Å; D156-Q158 WeakPolarHBondContact OD1-CB 3.4Å; D156-Q158 PolarHBondContact OD1-N 3.39Å; D156-L159 HydrophobicContact CB-CB 4.34Å; D156-L159 VanDerWaalsContact O-CB 3.31Å; D156-L159 WeakPolarHBondContact O-CB 3.39Å; D156-L159 PolarHBondContact O-N 3.16Å; D156-L159 PolarHBondContact OD1-N 2.89Å; D156-R355 VanDerWaalsContact CG-NH2 3.34Å; D156-R355 IonicContact OD1-NH2 3.66Å; D156-R355 PolarHBondContact OD1-NH2 3.45Å; D156-R355 IonicContact OD2-CZ 3.92Å; D156-R355 IonicContact OD2-NH2 3.66Å; D156-R355 PolarHBondContact OD2-NH2 2.91Å; D156-V357 HydrophobicContact CB-CG1 4.21Å
157P91.8Very high96.9Very high119 Ų11931.6 Ų31.677%0.77316%0.161SC*.THydrogen-bonded Turntrans-62.5-10.7178.2-24.334.9000114.4
158Q95.7Very high96.8Very high138 Ų13831.6 Ų31.665%0.64516%0.161SC*.THydrogen-bonded Turntrans-90-9.1177.1-58.1-175.5-11.600112.9D156D156-Q158 PolarHBondContact O-N 3.05Å; D156-Q158 WeakPolarHBondContact OD1-CB 3.4Å; D156-Q158 PolarHBondContact OD1-N 3.39Å
159L97.4Very high96.7Very high10 Ų1032 Ų325%0.05217%0.165CC..  trans-64.9134.1174.5178.265.6000109.9A152 L153 D156 Y163 A328 V330 V357A152-L159 HydrophobicContact CB-CD2 3.61Å; L153-L159 HydrophobicContact CD2-CB 4.02Å; L153-L159 HydrophobicContact CD2-CD2 3.94Å; L153-L159 HydrophobicContact CD2-CG 3.93Å; L153-L159 WeakPolarHBondContact CD2-O 3.39Å; L153-L159 HydrophobicContact CG-CD2 4.25Å; D156-L159 HydrophobicContact CB-CB 4.34Å; D156-L159 VanDerWaalsContact O-CB 3.31Å; D156-L159 WeakPolarHBondContact O-CB 3.39Å; D156-L159 PolarHBondContact O-N 3.16Å; D156-L159 PolarHBondContact OD1-N 2.89Å; L159-Y163 HydrophobicContact CD1-CD1 3.95Å; L159-Y163 HydrophobicContact CD1-CG 4.1Å; L159-Y163 HydrophobicContact CD2-CD1 3.93Å; L159-Y163 HydrophobicContact CD2-CE1 3.83Å; L159-Y163 HydrophobicContact CD2-CE2 4.49Å; L159-Y163 HydrophobicContact CD2-CG 4.31Å; L159-Y163 HydrophobicContact CG-CD1 3.84Å; L159-Y163 HydrophobicContact CG-CE1 4.1Å; L159-Y163 HydrophobicContact CG-CG 4.4Å; L159-A328 HydrophobicContact CD1-CB 3.55Å; L159-V330 HydrophobicContact CD1-CG2 4.06Å; L159-V330 HydrophobicContact CD2-CG2 3.75Å; L159-V357 HydrophobicContact CD1-CG2 4.41Å
160K95.4Very high96.2Very high151 Ų15134.2 Ų34.266%0.65719%0.187SC*.  trans-125.9147-176.1-66.3179.8-177.6179.70110.8P162 T327K160-P162 CarbonylContact O-C 3.55Å; K160-T327 PolarHBondContact O-OG1 2.98Å
161F96.4Very high95.8Very high72 Ų7237 Ų3732%0.31622%0.215SC..SBendtrans-71.1152.7169.1-57.8-63.7000111.8L150 L153 Y163 V178 Q179 L181L150-F161 HydrophobicContact CD2-CE1 4.2Å; L150-F161 HydrophobicContact CD2-CZ 4.03Å; L153-F161 HydrophobicContact CD1-CE1 3.91Å; L153-F161 HydrophobicContact CD1-CE2 4.32Å; L153-F161 HydrophobicContact CD1-CZ 3.48Å; L153-F161 VanDerWaalsContact CD1-CZ 3.48Å; F161-Y163 AromaticContact CD1-CD1 3.83Å; F161-Y163 HydrophobicContact CD1-CD1 3.83Å; F161-Y163 AromaticContact CD1-CE1 3.45Å; F161-Y163 HydrophobicContact CD1-CE1 3.45Å; F161-Y163 VanDerWaalsContact CD1-CE1 3.45Å; F161-Y163 HydrophobicContact CE1-CD1 4.24Å; F161-Y163 AromaticContact CE1-CE1 3.38Å; F161-Y163 HydrophobicContact CE1-CE1 3.38Å; F161-Y163 AromaticContact CE1-CZ 3.98Å; F161-Y163 HydrophobicContact CZ-CE1 4.46Å; F161-V178 HydrophobicContact CD1-CB 4.31Å; F161-V178 HydrophobicContact CD1-CG1 3.84Å; F161-V178 HydrophobicContact CE1-CB 4.27Å; F161-V178 HydrophobicContact CE1-CG1 3.42Å; F161-V178 VanDerWaalsContact CE1-CG1 3.42Å; F161-V178 HydrophobicContact CZ-CG1 4.47Å; F161-Q179 WeakPolarHBondContact CB-O 3.36Å; F161-L181 HydrophobicContact CE2-CD2 4.45Å; F161-L181 HydrophobicContact CZ-CD2 4.02Å
162P95.3Very high95.5Very high10 Ų1038.7 Ų38.77%0.06522%0.223CC..SBendcis-75.7154.1-1433.3-33.5000110.8K160 I177 V178 Q179 N324 H325 P326 T327K160-P162 CarbonylContact O-C 3.55Å; P162-I177 HydrophobicContact CB-CG2 3.83Å; P162-V178 WeakPolarHBondContact CA-O 3.47Å; P162-Q179 HydrophobicContact CB-CG 4.47Å; P162-N324 HydrophobicContact CG-CB 3.74Å; P162-N324 WeakPolarHBondContact CG-O 3.46Å; P162-H325 WeakPolarHBondContact CG-O 3.47Å; P162-P326 WeakPolarHBondContact O-CA 3.46Å; P162-T327 PolarHBondContact O-N 3.42Å; P162-T327 PolarHBondContact O-OG1 3.22Å
163Y97.7Very high95.4Very high0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-133.9154.116756.7-98.5000110A149 L153 L159 F161 I165 V178 V330A149-Y163 PolarHBondContact O-OH 3.5Å; L153-Y163 HydrophobicContact CD1-CE1 4.4Å; L153-Y163 HydrophobicContact CD2-CE1 4.17Å; L153-Y163 HydrophobicContact CG-CE1 4.29Å; L159-Y163 HydrophobicContact CD1-CD1 3.95Å; L159-Y163 HydrophobicContact CD1-CG 4.1Å; L159-Y163 HydrophobicContact CD2-CD1 3.93Å; L159-Y163 HydrophobicContact CD2-CE1 3.83Å; L159-Y163 HydrophobicContact CD2-CE2 4.49Å; L159-Y163 HydrophobicContact CD2-CG 4.31Å; L159-Y163 HydrophobicContact CG-CD1 3.84Å; L159-Y163 HydrophobicContact CG-CE1 4.1Å; L159-Y163 HydrophobicContact CG-CG 4.4Å; F161-Y163 AromaticContact CD1-CD1 3.83Å; F161-Y163 HydrophobicContact CD1-CD1 3.83Å; F161-Y163 AromaticContact CD1-CE1 3.45Å; F161-Y163 HydrophobicContact CD1-CE1 3.45Å; F161-Y163 VanDerWaalsContact CD1-CE1 3.45Å; F161-Y163 HydrophobicContact CE1-CD1 4.24Å; F161-Y163 AromaticContact CE1-CE1 3.38Å; F161-Y163 HydrophobicContact CE1-CE1 3.38Å; F161-Y163 AromaticContact CE1-CZ 3.98Å; F161-Y163 HydrophobicContact CZ-CE1 4.46Å; Y163-I165 HydrophobicContact CE2-CB 4.43Å; Y163-V178 HydrophobicContact CD2-CB 4.12Å; Y163-V178 HydrophobicContact CD2-CG2 4.05Å; Y163-V178 HydrophobicContact CE1-CB 4.17Å; Y163-V178 HydrophobicContact CE1-CG1 4.37Å; Y163-V178 HydrophobicContact CE2-CB 3.69Å; Y163-V178 HydrophobicContact CE2-CG1 4.42Å; Y163-V178 HydrophobicContact CE2-CG2 3.43Å; Y163-V178 VanDerWaalsContact CE2-CG2 3.43Å; Y163-V178 PolarHBondContact N-O 3.41Å; Y163-V178 VanDerWaalsContact N-O 3.08Å; Y163-V178 PolarHBondContact O-N 2.78Å; Y163-V330 HydrophobicContact CD2-CB 3.87Å; Y163-V330 HydrophobicContact CD2-CG2 3.29Å; Y163-V330 HydrophobicContact CE2-CB 4.14Å; Y163-V330 HydrophobicContact CE2-CG2 3.76Å; Y163-V330 HydrophobicContact CG-CG2 3.8Å
164M98Very high95.5Very high0 Ų038.1 Ų38.10%022%0.221CC..EExtended strand (participates in β ladder)trans-79.3137.4172.5-175.7168.9-69.100109.4L175 G176 I177 L187 V304 A307 I308 P326 A328 L329 V330M164-L175 HydrophobicContact CG-CD1 3.84Å; M164-L175 HydrophobicContact SD-CD1 3.83Å; M164-G176 WeakPolarHBondContact CA-O 3.49Å; M164-I177 HydrophobicContact CB-CD1 3.96Å; M164-I177 HydrophobicContact CE-CD1 3.79Å; M164-I177 HydrophobicContact CG-CD1 4.16Å; M164-L187 HydrophobicContact CE-CD1 4.44Å; M164-V304 HydrophobicContact SD-CG1 4.19Å; M164-A307 HydrophobicContact CE-CB 3.63Å; M164-A307 HydrophobicContact SD-CB 3.95Å; M164-I308 HydrophobicContact CE-CB 4.42Å; M164-I308 HydrophobicContact CE-CG1 3.74Å; M164-I308 HydrophobicContact SD-CG1 3.72Å; M164-P326 HydrophobicContact CB-CB 4.23Å; M164-A328 PolarHBondContact N-O 2.9Å; M164-L329 HydrophobicContact CB-CD1 4.17Å; M164-L329 HydrophobicContact CG-CD1 3.91Å; M164-L329 HydrophobicContact SD-CD1 4.07Å; M164-V330 WeakPolarHBondContact O-CB 3.37Å; M164-V330 PolarHBondContact O-N 3.23Å
165I98.5Very high95.5Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-119.7130.1176.6-175.866000110.1A149 Y163 L167 L175 G176 V178 V330 F401A149-I165 HydrophobicContact CB-CD1 4.44Å; A149-I165 HydrophobicContact CB-CG1 3.97Å; Y163-I165 HydrophobicContact CE2-CB 4.43Å; I165-L167 HydrophobicContact CD1-CD2 3.68Å; I165-L167 HydrophobicContact CD1-CG 4.38Å; I165-L167 HydrophobicContact CG1-CD2 3.61Å; I165-L167 HydrophobicContact CG1-CG 3.76Å; I165-L175 WeakPolarHBondContact O-CA 3.49Å; I165-G176 PolarHBondContact N-O 3.32Å; I165-G176 PolarHBondContact O-N 2.82Å; I165-V178 HydrophobicContact CB-CG2 3.94Å; I165-V178 HydrophobicContact CG2-CG2 3.61Å; I165-V330 CarbonylContact C-O 3.54Å; I165-V330 WeakPolarHBondContact CA-O 3.33Å; I165-V330 HydrophobicContact CD1-CB 3.76Å; I165-V330 HydrophobicContact CD1-CG1 3.49Å; I165-V330 VanDerWaalsContact CD1-CG1 3.49Å; I165-F401 HydrophobicContact CG2-CE1 3.88Å; I165-F401 HydrophobicContact CG2-CZ 3.79Å
166L98.7Very high95.6Very high0 Ų033.4 Ų33.40%020%0.195CC..EExtended strand (participates in β ladder)trans-113.1110.7165.8-178.774.6000108.8I168 I174 L175 F253 I300 V304 V330 V331 S332 L345L166-I168 HydrophobicContact CD1-CG2 3.98Å; L166-I168 HydrophobicContact CD2-CD1 3.9Å; L166-I168 HydrophobicContact CD2-CG1 4.17Å; L166-I168 HydrophobicContact CD2-CG2 4.36Å; L166-I168 HydrophobicContact CG-CD1 4.47Å; L166-I168 HydrophobicContact CG-CG1 4.2Å; L166-I168 HydrophobicContact CG-CG2 3.99Å; L166-I174 CarbonylContact C-O 3.52Å; L166-I174 VanDerWaalsContact CA-O 3.3Å; L166-I174 WeakPolarHBondContact CA-O 3.39Å; L166-L175 HydrophobicContact CB-CD1 4.4Å; L166-L175 HydrophobicContact CD1-CB 4.18Å; L166-L175 HydrophobicContact CD1-CD1 4.2Å; L166-F253 HydrophobicContact CD1-CE2 4.43Å; L166-F253 HydrophobicContact CD1-CZ 3.88Å; L166-I300 HydrophobicContact CD2-CG2 3.59Å; L166-V304 HydrophobicContact CD1-CG2 4.23Å; L166-V304 HydrophobicContact CD2-CG2 4.1Å; L166-V330 PolarHBondContact N-O 3.07Å; L166-V331 HydrophobicContact CB-CG2 4.3Å; L166-V331 HydrophobicContact CD2-CG1 4.32Å; L166-V331 HydrophobicContact CD2-CG2 4.39Å; L166-V331 WeakPolarHBondContact O-CA 3.2Å; L166-S332 PolarHBondContact O-N 3.41Å; L166-L345 HydrophobicContact CD2-CD1 3.52Å; L166-L345 HydrophobicContact CD2-CD2 4.39Å
167L97.6Very high95.6Very high5 Ų532.1 Ų32.13%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-101.7106.6173.3-58.4-177.7000109.5M145 H148 I165 G173 I174 F401M145-L167 HydrophobicContact CB-CD1 4.33Å; M145-L167 WeakPolarHBondContact O-CD1 3.38Å; H148-L167 HydrophobicContact CB-CD1 4.18Å; H148-L167 HydrophobicContact CB-CD2 3.9Å; I165-L167 HydrophobicContact CD1-CD2 3.68Å; I165-L167 HydrophobicContact CD1-CG 4.38Å; I165-L167 HydrophobicContact CG1-CD2 3.61Å; I165-L167 HydrophobicContact CG1-CG 3.76Å; L167-G173 CarbonylContact O-C 3.28Å; L167-G173 VanDerWaalsContact O-CA 3.3Å; L167-G173 WeakPolarHBondContact O-CA 3.18Å; L167-I174 HydrophobicContact CB-CB 4.29Å; L167-I174 PolarHBondContact N-O 2.9Å; L167-I174 PolarHBondContact O-N 2.84Å; L167-F401 HydrophobicContact CD1-CE2 4.28Å
168I97.1Very high95.9Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-126.1111.2-179.744.4166000110.5L166 H172 P195 I300 V331 S332 G333 G334 V335 G336 I341L166-I168 HydrophobicContact CD1-CG2 3.98Å; L166-I168 HydrophobicContact CD2-CD1 3.9Å; L166-I168 HydrophobicContact CD2-CG1 4.17Å; L166-I168 HydrophobicContact CD2-CG2 4.36Å; L166-I168 HydrophobicContact CG-CD1 4.47Å; L166-I168 HydrophobicContact CG-CG1 4.2Å; L166-I168 HydrophobicContact CG-CG2 3.99Å; I168-H172 WeakPolarHBondContact CA-O 3.3Å; I168-P195 HydrophobicContact CB-CG 3.93Å; I168-P195 HydrophobicContact CG2-CG 4Å; I168-I300 HydrophobicContact CD1-CD1 4.11Å; I168-V331 HydrophobicContact CD1-CG1 4.45Å; I168-V331 HydrophobicContact CG1-CG1 4.43Å; I168-S332 PolarHBondContact N-O 3.04Å; I168-G333 CarbonylContact O-C 3.5Å; I168-G333 VanDerWaalsContact O-CA 3.29Å; I168-G333 WeakPolarHBondContact O-CA 3.4Å; I168-G334 PolarHBondContact O-N 2.75Å; I168-V335 HydrophobicContact CB-CB 4.21Å; I168-V335 HydrophobicContact CD1-CB 4.33Å; I168-V335 HydrophobicContact CD1-CG1 4.12Å; I168-V335 HydrophobicContact CG1-CB 4.35Å; I168-V335 WeakPolarHBondContact O-CB 3.44Å; I168-V335 PolarHBondContact O-N 3.02Å; I168-G336 PolarHBondContact O-N 3.07Å; I168-G336 VanDerWaalsContact O-N 3.14Å; I168-I341 HydrophobicContact CD1-CG2 3.94Å
169S93.4Very high95.9Very high16 Ų1620.5 Ų20.511%0.11212%0.124CC..SBendtrans-140.9-169.3-176.178.90000111.7G171 H172 S194 G196S169-G171 PolarHBondContact OG-N 3Å; S169-H172 PolarHBondContact N-O 3.48Å; S169-H172 PolarHBondContact OG-N 3.23Å; S169-H172 VanDerWaalsContact OG-N 3.16Å; S169-H172 PolarHBondContact OG-ND1 2.79Å; S169-S194 WeakPolarHBondContact O-CB 3.37Å; S169-S194 PolarHBondContact O-OG 3.4Å; S169-G196 WeakPolarHBondContact O-CA 3.28Å; S169-G196 PolarHBondContact O-N 3.33Å
170G88.3Confident95.8Very high46 Ų4620.6 Ų20.647%0.47413%0.127SC..SBendtrans-69.5-18168.700000113.9S194G170-S194 WeakPolarHBondContact O-CB 3.49Å; G170-S194 PolarHBondContact O-OG 3.11Å
171G88Confident95.8Very high57 Ų5715.2 Ų15.259%0.58811%0.106SC*.SBendtrans-111-19.5179.600000114.7S169S169-G171 PolarHBondContact OG-N 3Å
172H91.7Very high95.7Very high39 Ų3915.7 Ų15.718%0.18111%0.109CC..  trans-136.4148.8-167.8-50.5106.1000112.2H144 I168 S169 I174H144-H172 AromaticContact CD2-CE1 3.59Å; H144-H172 AromaticContact NE2-CE1 3.59Å; I168-H172 WeakPolarHBondContact CA-O 3.3Å; S169-H172 PolarHBondContact N-O 3.48Å; S169-H172 PolarHBondContact OG-N 3.23Å; S169-H172 VanDerWaalsContact OG-N 3.16Å; S169-H172 PolarHBondContact OG-ND1 2.79Å; H172-I174 HydrophobicContact CB-CD1 4.37Å
173G96.2Very high95.7Very high2 Ų217.2 Ų17.22%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-143.289.5163.400000107.8L167 T189 A190L167-G173 CarbonylContact O-C 3.28Å; L167-G173 VanDerWaalsContact O-CA 3.3Å; L167-G173 WeakPolarHBondContact O-CA 3.18Å; G173-T189 CarbonylContact O-C 3.58Å; G173-T189 VanDerWaalsContact O-C 3.28Å; G173-T189 WeakPolarHBondContact O-CA 3.43Å; G173-T189 PolarHBondContact O-OG1 2.92Å; G173-A190 PolarHBondContact O-N 3.14Å
174I98Very high95.7Very high9 Ų917.5 Ų17.55%0.04612%0.117CC..EExtended strand (participates in β ladder)trans-127.1135.7-168.5-71.4171.1000109.8M145 L166 L167 H172 L186 F401M145-I174 HydrophobicContact CE-CD1 2.83Å; M145-I174 HydrophobicContact CE-CG1 4.32Å; L166-I174 CarbonylContact C-O 3.52Å; L166-I174 VanDerWaalsContact CA-O 3.3Å; L166-I174 WeakPolarHBondContact CA-O 3.39Å; L167-I174 HydrophobicContact CB-CB 4.29Å; L167-I174 PolarHBondContact N-O 2.9Å; L167-I174 PolarHBondContact O-N 2.84Å; H172-I174 HydrophobicContact CB-CD1 4.37Å; I174-L186 HydrophobicContact CG2-CD1 3.77Å; I174-F401 HydrophobicContact CG2-CB 4.47Å; I174-F401 HydrophobicContact CG2-CD1 3.86Å; I174-F401 HydrophobicContact CG2-CE1 4.25Å; I174-F401 HydrophobicContact CG2-CG 4.05Å
175L98.6Very high95.6Very high0 Ų017.5 Ų17.50%012%0.117CC..EExtended strand (participates in β ladder)trans-125.7120.2175.4-179.353.2000108.4M164 I165 L166 L187 G188 C251 F253 R303 V304 A307M164-L175 HydrophobicContact CG-CD1 3.84Å; M164-L175 HydrophobicContact SD-CD1 3.83Å; I165-L175 WeakPolarHBondContact O-CA 3.49Å; L166-L175 HydrophobicContact CB-CD1 4.4Å; L166-L175 HydrophobicContact CD1-CB 4.18Å; L166-L175 HydrophobicContact CD1-CD1 4.2Å; L175-L187 WeakPolarHBondContact O-CA 3.16Å; L175-L187 WeakPolarHBondContact O-CB 3.44Å; L175-L187 PolarHBondContact O-N 3.29Å; L175-G188 PolarHBondContact N-O 2.87Å; L175-G188 PolarHBondContact O-N 3.36Å; L175-C251 HydrophobicContact CD2-CB 4.16Å; L175-F253 HydrophobicContact CB-CE2 3.97Å; L175-F253 HydrophobicContact CB-CZ 4.07Å; L175-F253 HydrophobicContact CD2-CZ 4.06Å; L175-R303 HydrophobicContact CD2-CB 4.16Å; L175-R303 WeakPolarHBondContact CD2-O 2.9Å; L175-V304 HydrophobicContact CD1-CG2 4.11Å; L175-V304 HydrophobicContact CD2-CG2 4.11Å; L175-A307 HydrophobicContact CD1-CB 4.32Å; L175-A307 HydrophobicContact CD2-CB 3.64Å; L175-A307 HydrophobicContact CG-CB 3.95Å
176G97.4Very high95.5Very high0 Ų018.3 Ų18.30%012%0.122CC..EExtended strand (participates in β ladder)trans-155.8-175.5-175.300000113.3M164 I165 V185M164-G176 WeakPolarHBondContact CA-O 3.49Å; I165-G176 PolarHBondContact N-O 3.32Å; I165-G176 PolarHBondContact O-N 2.82Å; G176-V185 CarbonylContact C-O 3.53Å; G176-V185 WeakPolarHBondContact CA-O 3.27Å
177I97Very high95.4Very high0 Ų018.3 Ų18.30%012%0.122CC..EExtended strand (participates in β ladder)trans-116.5134.3173.9-54.7-59.6000108.7P162 M164 Q179 Y184 V185 L187 I322P162-I177 HydrophobicContact CB-CG2 3.83Å; M164-I177 HydrophobicContact CB-CD1 3.96Å; M164-I177 HydrophobicContact CE-CD1 3.79Å; M164-I177 HydrophobicContact CG-CD1 4.16Å; I177-Q179 HydrophobicContact CG2-CG 3.79Å; I177-Y184 WeakPolarHBondContact O-CA 3.21Å; I177-V185 HydrophobicContact CB-CB 4.29Å; I177-V185 PolarHBondContact N-O 2.56Å; I177-V185 PolarHBondContact O-N 2.96Å; I177-L187 HydrophobicContact CD1-CD1 4.01Å; I177-L187 HydrophobicContact CG1-CD1 3.85Å; I177-L187 HydrophobicContact CG1-CG 4.4Å; I177-I322 HydrophobicContact CG1-CD1 4.25Å
178V97.9Very high95.4Very high0 Ų018.1 Ų18.10%012%0.121CC..EExtended strand (participates in β ladder)trans-99.1110166-168.60000107.3A149 L150 F161 P162 Y163 I165 Y184A149-V178 HydrophobicContact CB-CG2 4.03Å; L150-V178 HydrophobicContact CD2-CG1 4.38Å; F161-V178 HydrophobicContact CD1-CB 4.31Å; F161-V178 HydrophobicContact CD1-CG1 3.84Å; F161-V178 HydrophobicContact CE1-CB 4.27Å; F161-V178 HydrophobicContact CE1-CG1 3.42Å; F161-V178 VanDerWaalsContact CE1-CG1 3.42Å; F161-V178 HydrophobicContact CZ-CG1 4.47Å; P162-V178 WeakPolarHBondContact CA-O 3.47Å; Y163-V178 HydrophobicContact CD2-CB 4.12Å; Y163-V178 HydrophobicContact CD2-CG2 4.05Å; Y163-V178 HydrophobicContact CE1-CB 4.17Å; Y163-V178 HydrophobicContact CE1-CG1 4.37Å; Y163-V178 HydrophobicContact CE2-CB 3.69Å; Y163-V178 HydrophobicContact CE2-CG1 4.42Å; Y163-V178 HydrophobicContact CE2-CG2 3.43Å; Y163-V178 VanDerWaalsContact CE2-CG2 3.43Å; Y163-V178 PolarHBondContact N-O 3.41Å; Y163-V178 VanDerWaalsContact N-O 3.08Å; Y163-V178 PolarHBondContact O-N 2.78Å; I165-V178 HydrophobicContact CB-CG2 3.94Å; I165-V178 HydrophobicContact CG2-CG2 3.61Å; V178-Y184 HydrophobicContact CB-CD1 4.29Å; V178-Y184 HydrophobicContact CB-CE1 4.4Å; V178-Y184 HydrophobicContact CG1-CD1 3.88Å; V178-Y184 HydrophobicContact CG1-CE1 3.59Å; V178-Y184 HydrophobicContact CG2-CD1 3.99Å; V178-Y184 HydrophobicContact CG2-CE1 4.14Å
179Q95Very high95.4Very high13 Ų1319.6 Ų19.66%0.06113%0.13CC..EExtended strand (participates in β ladder)trans-94.1-16.5-177.4-57.8-16590.500113.8F161 P162 I177 D183 V185 V321 R323F161-Q179 WeakPolarHBondContact CB-O 3.36Å; P162-Q179 HydrophobicContact CB-CG 4.47Å; I177-Q179 HydrophobicContact CG2-CG 3.79Å; Q179-D183 HydrophobicContact CB-CB 4.3Å; Q179-D183 PolarHBondContact N-O 2.86Å; Q179-D183 PolarHBondContact NE2-OD1 3.3Å; Q179-V185 HydrophobicContact CG-CG2 4.32Å; Q179-V321 PolarHBondContact NE2-O 2.78Å; Q179-V321 PolarHBondContact OE1-O 2.82Å; Q179-R323 PolarHBondContact O-NH2 2.88Å
180G95.7Very high95.6Very high12 Ų1219.7 Ų19.712%0.12413%0.131CC..EExtended strand (participates in β ladder)trans176.9-177.1-178.500000109.4E182 D183G180-E182 PolarHBondContact O-N 3.33Å; G180-D183 PolarHBondContact O-N 2.84Å
181L94.5Very high95.9Very high39 Ų3921.5 Ų21.520%0.20413%0.13CC..THydrogen-bonded Turntrans-63.7135.4166.7-59.3-172.1000109L150 F161 D183 L377 E381L150-L181 HydrophobicContact CD1-CD2 4.09Å; L150-L181 HydrophobicContact CD2-CD2 3.74Å; F161-L181 HydrophobicContact CE2-CD2 4.45Å; F161-L181 HydrophobicContact CZ-CD2 4.02Å; L181-D183 PolarHBondContact O-N 2.99Å; L181-D183 VanDerWaalsContact O-N 3.1Å; L181-L377 HydrophobicContact CD1-CB 3.8Å; L181-L377 WeakPolarHBondContact CD1-O 3.44Å; L181-L377 HydrophobicContact CD2-CB 3.91Å; L181-L377 HydrophobicContact CD2-CD1 3.95Å; L181-L377 HydrophobicContact CD2-CG 4.37Å; L181-E381 HydrophobicContact CD1-CB 4.4Å; L181-E381 HydrophobicContact CD1-CG 3.54Å
182E94.5Very high96.3Very high82 Ų8221 Ų2138%0.38311%0.114SC..THydrogen-bonded Turntrans63.512.1178.2-48.5-172.877.300114.7G180 L378 S383 R385G180-E182 PolarHBondContact O-N 3.33Å; E182-L378 HydrophobicContact CG-CD2 3.58Å; E182-L378 WeakPolarHBondContact OE2-CD2 3.28Å; E182-S383 PolarHBondContact OE1-OG 3.07Å; E182-S383 WeakPolarHBondContact OE2-CB 3.42Å; E182-S383 PolarHBondContact OE2-OG 2.93Å; E182-R385 WeakPolarHBondContact OE1-CD 2.8Å; E182-R385 IonicContact OE1-NH1 3.26Å
183D95.8Very high96.4Very high42 Ų4220.1 Ų20.123%0.22511%0.113CC..EExtended strand (participates in β ladder)trans-128.299.9-178.5-173.3-13.8000111.2Q179 G180 L181 R323Q179-D183 HydrophobicContact CB-CB 4.3Å; Q179-D183 PolarHBondContact N-O 2.86Å; Q179-D183 PolarHBondContact NE2-OD1 3.3Å; G180-D183 PolarHBondContact O-N 2.84Å; L181-D183 PolarHBondContact O-N 2.99Å; L181-D183 VanDerWaalsContact O-N 3.1Å; D183-R323 IonicContact OD2-CZ 3.81Å; D183-R323 IonicContact OD2-NH1 2.64Å; D183-R323 PolarHBondContact OD2-NH1 2.96Å; D183-R323 IonicContact OD2-NH2 3.27Å; D183-R323 PolarHBondContact OD2-NH2 2.85Å
184Y97.2Very high96.3Very high5 Ų520.5 Ų20.52%0.0212%0.115CC..EExtended strand (participates in β ladder)trans-125.7148.2-174.7-50-87.8000110.5E146 A149 I177 V178 F401 G402 V403E146-Y184 HydrophobicContact CB-CE1 4.45Å; E146-Y184 HydrophobicContact CB-CE2 4.2Å; E146-Y184 WeakPolarHBondContact CB-OH 3.42Å; E146-Y184 HydrophobicContact CG-CD2 4.12Å; E146-Y184 HydrophobicContact CG-CE1 4.25Å; E146-Y184 HydrophobicContact CG-CE2 3.4Å; E146-Y184 VanDerWaalsContact CG-CZ 3.49Å; E146-Y184 WeakPolarHBondContact OE1-CE2 3.45Å; A149-Y184 HydrophobicContact CB-CE1 4.39Å; I177-Y184 WeakPolarHBondContact O-CA 3.21Å; V178-Y184 HydrophobicContact CB-CD1 4.29Å; V178-Y184 HydrophobicContact CB-CE1 4.4Å; V178-Y184 HydrophobicContact CG1-CD1 3.88Å; V178-Y184 HydrophobicContact CG1-CE1 3.59Å; V178-Y184 HydrophobicContact CG2-CD1 3.99Å; V178-Y184 HydrophobicContact CG2-CE1 4.14Å; Y184-F401 HydrophobicContact CD1-CE1 4.26Å; Y184-F401 HydrophobicContact CD1-CE2 4.07Å; Y184-F401 AromaticContact CD1-CZ 3.68Å; Y184-F401 HydrophobicContact CD1-CZ 3.68Å; Y184-F401 HydrophobicContact CE1-CZ 4.45Å; Y184-F401 HydrophobicContact CG-CE2 4.43Å; Y184-F401 HydrophobicContact CG-CZ 4.21Å; Y184-G402 CarbonylContact O-C 3.57Å; Y184-G402 VanDerWaalsContact O-CA 3.27Å; Y184-G402 WeakPolarHBondContact O-CA 3.12Å; Y184-V403 PolarHBondContact O-N 3.5Å
185V96Very high96.2Very high0 Ų020 Ų200%011%0.113CC..EExtended strand (participates in β ladder)trans-129.3123.7175.5-175.40000108.6G176 I177 Q179 L187 V321 I322 V403 C405G176-V185 CarbonylContact C-O 3.53Å; G176-V185 WeakPolarHBondContact CA-O 3.27Å; I177-V185 HydrophobicContact CB-CB 4.29Å; I177-V185 PolarHBondContact N-O 2.56Å; I177-V185 PolarHBondContact O-N 2.96Å; Q179-V185 HydrophobicContact CG-CG2 4.32Å; V185-L187 HydrophobicContact CG1-CD2 4.07Å; V185-V321 HydrophobicContact CG1-CG1 4.1Å; V185-V321 HydrophobicContact CG2-CG1 3.66Å; V185-I322 HydrophobicContact CG1-CG1 4.33Å; V185-V403 CarbonylContact C-O 3.47Å; V185-V403 WeakPolarHBondContact CA-O 3.07Å; V185-C405 HydrophobicContact CG1-CB 3.88Å
186L97.3Very high96Very high17 Ų1720.2 Ų20.29%0.08912%0.115CC..EExtended strand (participates in β ladder)trans-87123.4175.4179.167.8000109.8I174 G188 F401 V403 C405 R406I174-L186 HydrophobicContact CG2-CD1 3.77Å; L186-G188 VanDerWaalsContact CD1-O 3.32Å; L186-G188 WeakPolarHBondContact CD1-O 3.35Å; L186-F401 WeakPolarHBondContact CB-O 3.21Å; L186-F401 HydrophobicContact CD1-CB 4.41Å; L186-F401 HydrophobicContact CD1-CD1 4.47Å; L186-V403 PolarHBondContact N-O 3.34Å; L186-C405 PolarHBondContact O-N 3.11Å; L186-R406 HydrophobicContact CG-CG 4.34Å
187L96.4Very high95.9Very high1 Ų122.4 Ų22.41%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-105.5-26.9177.5-59.5-177.1000112.6M164 L175 I177 V185 C251 A307 Y310 I322 C405 R406 V409M164-L187 HydrophobicContact CE-CD1 4.44Å; L175-L187 WeakPolarHBondContact O-CA 3.16Å; L175-L187 WeakPolarHBondContact O-CB 3.44Å; L175-L187 PolarHBondContact O-N 3.29Å; I177-L187 HydrophobicContact CD1-CD1 4.01Å; I177-L187 HydrophobicContact CG1-CD1 3.85Å; I177-L187 HydrophobicContact CG1-CG 4.4Å; V185-L187 HydrophobicContact CG1-CD2 4.07Å; L187-C251 VanDerWaalsContact O-CB 3.31Å; L187-C251 WeakPolarHBondContact O-CB 3.37Å; L187-A307 HydrophobicContact CD1-CB 3.91Å; L187-Y310 HydrophobicContact CD1-CD1 4.45Å; L187-Y310 HydrophobicContact CD2-CD1 3.98Å; L187-Y310 HydrophobicContact CD2-CE1 3.76Å; L187-I322 HydrophobicContact CD2-CD1 4.1Å; L187-C405 HydrophobicContact CD2-CB 4.24Å; L187-R406 WeakPolarHBondContact O-CG 3.14Å; L187-V409 HydrophobicContact CB-CG2 4.28Å; L187-V409 HydrophobicContact CD2-CG2 3.89Å
188G97.4Very high95.8Very high0 Ų022.4 Ų22.40%013%0.127CC..EExtended strand (participates in β ladder)trans-166.6151.5179.600000112.6L175 L186 C251 D252L175-G188 PolarHBondContact N-O 2.87Å; L175-G188 PolarHBondContact O-N 3.36Å; L186-G188 VanDerWaalsContact CD1-O 3.32Å; L186-G188 WeakPolarHBondContact CD1-O 3.35Å; G188-C251 WeakPolarHBondContact CA-O 3.39Å; G188-D252 WeakPolarHBondContact CA-OD1 3.21Å
189T97.6Very high95.7Very high31 Ų3122.7 Ų22.719%0.1913%0.128CC..EExtended strand (participates in β ladder)trans-139.6160.3177.5-168.80000111.9G173 L191 D252 F253G173-T189 CarbonylContact O-C 3.58Å; G173-T189 VanDerWaalsContact O-C 3.28Å; G173-T189 WeakPolarHBondContact O-CA 3.43Å; G173-T189 PolarHBondContact O-OG1 2.92Å; T189-L191 HydrophobicContact CG2-CD2 4.16Å; T189-L191 PolarHBondContact O-N 2.82Å; T189-D252 PolarHBondContact N-OD1 3.48Å; T189-D252 WeakPolarHBondContact O-CA 3.5Å; T189-F253 PolarHBondContact O-N 3.04Å
190A96.7Very high95.6Very high18 Ų1824.4 Ų24.415%0.14914%0.138CC..BIsolated β-bridgetrans-64.9118162.900000108.1G173 D192 F255G173-A190 PolarHBondContact O-N 3.14Å; A190-D192 VanDerWaalsContact C-N 3.27Å; A190-F255 HydrophobicContact CB-CD2 4.16Å; A190-F255 HydrophobicContact CB-CE2 4.08Å
191L95.8Very high95.5Very high84 Ų8427.6 Ų27.644%0.4415%0.148SC..SBendtrans-81.2-13.6177.9-62.8176.7000112.4T189 D252 F253T189-L191 HydrophobicContact CG2-CD2 4.16Å; T189-L191 PolarHBondContact O-N 2.82Å; L191-D252 HydrophobicContact CD1-CB 3.81Å; L191-D252 HydrophobicContact CD2-CB 4.31Å; L191-D252 HydrophobicContact CG-CB 3.9Å; L191-F253 PolarHBondContact N-O 3.29Å
192D95.1Very high95.6Very high48 Ų4825.8 Ų25.826%0.25714%0.139SC..SBendtrans-134.8-145.4-176.360.817.4000109.9A190 S254 F255 T256A190-D192 VanDerWaalsContact C-N 3.27Å; D192-S254 WeakPolarHBondContact OD1-CA 3.47Å; D192-S254 VanDerWaalsContact OD2-CA 3.3Å; D192-S254 WeakPolarHBondContact OD2-CA 3.48Å; D192-S254 WeakPolarHBondContact OD2-CB 3.2Å; D192-S254 PolarHBondContact OD2-OG 3.4Å; D192-F255 PolarHBondContact OD1-N 3.32Å; D192-F255 PolarHBondContact OD2-N 3.02Å; D192-T256 HydrophobicContact CB-CG2 3.58Å; D192-T256 WeakPolarHBondContact OD2-CB 3.44Å; D192-T256 PolarHBondContact OD2-N 3.19Å; D192-T256 VanDerWaalsContact OD2-N 3.11Å; D192-T256 PolarHBondContact OD2-OG1 3.39Å
193A94.2Very high95.5Very high19 Ų1922.5 Ų22.516%0.15713%0.125CC..SBendtrans-56.3143.9178.300000112.1V198 F255 T256A193-V198 HydrophobicContact CB-CG2 3.84Å; A193-F255 WeakPolarHBondContact O-CD2 3.42Å; A193-T256 HydrophobicContact CB-CG2 3.57Å
194S94.6Very high95.3Very high10 Ų1025.3 Ų25.37%0.0713%0.132CC..  trans-63.2157.9171.974.70000110.5S169 G170 G196 D197 V198S169-S194 WeakPolarHBondContact O-CB 3.37Å; S169-S194 PolarHBondContact O-OG 3.4Å; G170-S194 WeakPolarHBondContact O-CB 3.49Å; G170-S194 PolarHBondContact O-OG 3.11Å; S194-G196 PolarHBondContact O-N 2.93Å; S194-D197 PolarHBondContact O-N 3.16Å; S194-D197 VanDerWaalsContact OG-CB 3.27Å; S194-D197 WeakPolarHBondContact OG-CB 3.37Å; S194-D197 PolarHBondContact OG-N 3.06Å; S194-V198 PolarHBondContact O-N 3.19Å; S194-V198 VanDerWaalsContact O-N 3.15Å
195P96.4Very high95.1Very high0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-62.5-34.9176.624.9-31.4000111.5I168 V198 L199 F255 M296 V335I168-P195 HydrophobicContact CB-CG 3.93Å; I168-P195 HydrophobicContact CG2-CG 4Å; P195-V198 PolarHBondContact O-N 3.36Å; P195-L199 VanDerWaalsContact O-CG 3.25Å; P195-L199 WeakPolarHBondContact O-CG 3.12Å; P195-L199 PolarHBondContact O-N 3.06Å; P195-F255 HydrophobicContact CB-CD1 4.04Å; P195-F255 HydrophobicContact CB-CD2 4.17Å; P195-F255 HydrophobicContact CB-CE1 3.9Å; P195-F255 HydrophobicContact CB-CE2 4.02Å; P195-F255 HydrophobicContact CB-CG 4.17Å; P195-F255 HydrophobicContact CB-CZ 3.88Å; P195-F255 HydrophobicContact CG-CD2 4.42Å; P195-F255 HydrophobicContact CG-CE2 3.97Å; P195-F255 HydrophobicContact CG-CZ 4.03Å; P195-M296 HydrophobicContact CB-CE 4.08Å; P195-M296 HydrophobicContact CB-SD 3.69Å; P195-V335 HydrophobicContact CB-CG1 4.22Å; P195-V335 HydrophobicContact CB-CG2 4.32Å; P195-V335 HydrophobicContact CG-CB 4.42Å; P195-V335 HydrophobicContact CG-CG1 4.41Å; P195-V335 HydrophobicContact CG-CG2 4.19Å
196G94.6Very high94.9Very high4 Ų428.6 Ų28.64%0.04115%0.145CC..Hα-helixtrans-68.5-40.9179.300000112.4S169 S194 V198 L199 D200 V335S169-G196 WeakPolarHBondContact O-CA 3.28Å; S169-G196 PolarHBondContact O-N 3.33Å; S194-G196 PolarHBondContact O-N 2.93Å; G196-V198 VanDerWaalsContact C-N 3.34Å; G196-V198 PolarHBondContact O-N 2.89Å; G196-L199 PolarHBondContact O-N 2.91Å; G196-D200 WeakPolarHBondContact O-CB 3.49Å; G196-D200 VanDerWaalsContact O-CG 3.28Å; G196-D200 PolarHBondContact O-N 3.14Å; G196-V335 VanDerWaalsContact CA-CG2 3.4Å
197D93.5Very high94.5Very high45 Ų4532.8 Ų32.824%0.24116%0.163CC..Hα-helixtrans-62.9-40.7175.7176.946.1000111.6S194 D200 K201S194-D197 PolarHBondContact O-N 3.16Å; S194-D197 VanDerWaalsContact OG-CB 3.27Å; S194-D197 WeakPolarHBondContact OG-CB 3.37Å; S194-D197 PolarHBondContact OG-N 3.06Å; D197-D200 PolarHBondContact O-N 3.11Å; D197-K201 WeakPolarHBondContact O-CB 3.46Å; D197-K201 VanDerWaalsContact O-CG 3.3Å; D197-K201 WeakPolarHBondContact O-CG 3.22Å; D197-K201 PolarHBondContact O-N 2.85Å; D197-K201 WeakPolarHBondContact OD1-CE 3.42Å; D197-K201 IonicContact OD1-NZ 2.65Å; D197-K201 PolarHBondContact OD1-NZ 3.43Å; D197-K201 WeakPolarHBondContact OD2-CE 3.2Å; D197-K201 IonicContact OD2-NZ 3.33Å; D197-K201 PolarHBondContact OD2-NZ 3.16Å
198V96.2Very high94.2Very high1 Ų132.7 Ų32.71%0.00616%0.163CC..Hα-helixtrans-61.8-47.3174.61670000111.5A193 S194 P195 G196 D200 K201 L202 F255 H259 M296A193-V198 HydrophobicContact CB-CG2 3.84Å; S194-V198 PolarHBondContact O-N 3.19Å; S194-V198 VanDerWaalsContact O-N 3.15Å; P195-V198 PolarHBondContact O-N 3.36Å; G196-V198 VanDerWaalsContact C-N 3.34Å; G196-V198 PolarHBondContact O-N 2.89Å; V198-D200 VanDerWaalsContact C-N 3.34Å; V198-D200 PolarHBondContact O-N 3.27Å; V198-K201 PolarHBondContact O-N 3.38Å; V198-L202 HydrophobicContact CG1-CD1 3.99Å; V198-L202 WeakPolarHBondContact O-CG 3.4Å; V198-L202 PolarHBondContact O-N 3Å; V198-F255 HydrophobicContact CB-CB 4.44Å; V198-F255 HydrophobicContact CG2-CB 3.77Å; V198-H259 HydrophobicContact CB-CB 4.49Å; V198-H259 HydrophobicContact CG1-CB 3.8Å; V198-H259 HydrophobicContact CG2-CB 4.06Å; V198-M296 HydrophobicContact CB-CE 4.43Å; V198-M296 HydrophobicContact CG1-CE 4.1Å
199L96Very high93.4Very high5 Ų537.4 Ų37.43%0.02619%0.188CC..Hα-helixtrans-63.8-39.9178.3-69.6171.2000111.9P195 G196 L202 S203 I225 V292 M296 V335P195-L199 VanDerWaalsContact O-CG 3.25Å; P195-L199 WeakPolarHBondContact O-CG 3.12Å; P195-L199 PolarHBondContact O-N 3.06Å; G196-L199 PolarHBondContact O-N 2.91Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-S203 WeakPolarHBondContact O-CB 3.25Å; L199-S203 PolarHBondContact O-N 3.3Å; L199-I225 HydrophobicContact CB-CD1 4.01Å; L199-I225 HydrophobicContact CD2-CD1 3.63Å; L199-I225 HydrophobicContact CD2-CG2 4.31Å; L199-I225 HydrophobicContact CG-CD1 4.44Å; L199-I225 WeakPolarHBondContact O-CD1 3.3Å; L199-V292 HydrophobicContact CD2-CG1 4.05Å; L199-M296 HydrophobicContact CD1-CE 4.43Å; L199-M296 HydrophobicContact CD1-SD 3.9Å; L199-M296 HydrophobicContact CD2-CE 4.01Å; L199-M296 HydrophobicContact CD2-SD 4.18Å; L199-M296 HydrophobicContact CG-CE 3.91Å; L199-M296 HydrophobicContact CG-SD 4.03Å; L199-V335 HydrophobicContact CD1-CG1 4Å; L199-V335 HydrophobicContact CD1-CG2 4.18Å
200D92.7Very high92.6Very high50 Ų5044.9 Ų44.927%0.26721%0.212SC..Hα-helixtrans-65.9-42177.5-75.3-11.6000112.1G196 D197 V198 S203 R204 G221 G222G196-D200 WeakPolarHBondContact O-CB 3.49Å; G196-D200 VanDerWaalsContact O-CG 3.28Å; G196-D200 PolarHBondContact O-N 3.14Å; D197-D200 PolarHBondContact O-N 3.11Å; V198-D200 VanDerWaalsContact C-N 3.34Å; V198-D200 PolarHBondContact O-N 3.27Å; D200-S203 PolarHBondContact O-N 2.92Å; D200-R204 WeakPolarHBondContact O-CG 3.39Å; D200-R204 PolarHBondContact O-N 3.33Å; D200-G221 WeakPolarHBondContact OD1-CA 3.14Å; D200-G221 PolarHBondContact OD1-N 3.02Å; D200-G222 PolarHBondContact OD1-N 3.44Å
201K93.4Very high91.9Very high78 Ų7846.3 Ų46.334%0.33922%0.217SC..Hα-helixtrans-61.6-44174-76.2169.5175.6162.70112D197 V198 R204 R205D197-K201 WeakPolarHBondContact O-CB 3.46Å; D197-K201 VanDerWaalsContact O-CG 3.3Å; D197-K201 WeakPolarHBondContact O-CG 3.22Å; D197-K201 PolarHBondContact O-N 2.85Å; D197-K201 WeakPolarHBondContact OD1-CE 3.42Å; D197-K201 IonicContact OD1-NZ 2.65Å; D197-K201 PolarHBondContact OD1-NZ 3.43Å; D197-K201 WeakPolarHBondContact OD2-CE 3.2Å; D197-K201 IonicContact OD2-NZ 3.33Å; D197-K201 PolarHBondContact OD2-NZ 3.16Å; V198-K201 PolarHBondContact O-N 3.38Å; K201-R204 PolarHBondContact O-N 3.28Å; K201-R205 WeakPolarHBondContact O-CB 3.42Å; K201-R205 PolarHBondContact O-N 3.22Å
202L95.6Very high90.4Very high2 Ų248.3 Ų48.31%0.0124%0.238CC..Hα-helixtrans-67.3-41178.7-70.7173.4000112.1V198 L199 R204 R205 L206 I225 A262 I266 V292V198-L202 HydrophobicContact CG1-CD1 3.99Å; V198-L202 WeakPolarHBondContact O-CG 3.4Å; V198-L202 PolarHBondContact O-N 3Å; L199-L202 PolarHBondContact O-N 3.24Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 3.05Å; L202-R205 PolarHBondContact O-N 3.05Å; L202-R205 VanDerWaalsContact O-N 3.16Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.03Å; L202-I225 HydrophobicContact CB-CD1 4.04Å; L202-A262 HydrophobicContact CD1-CB 4Å; L202-A262 HydrophobicContact CD2-CB 3.7Å; L202-I266 HydrophobicContact CD2-CD1 4.28Å; L202-V292 HydrophobicContact CD1-CG1 3.72Å; L202-V292 HydrophobicContact CD1-CG2 3.97Å
203S93.4Very high89.3Confident12 Ų1247.3 Ų47.38%0.08423%0.233CC..Hα-helixtrans-58-42.9173.2176.60000111.9L199 D200 K207 L208 G221L199-S203 WeakPolarHBondContact O-CB 3.25Å; L199-S203 PolarHBondContact O-N 3.3Å; D200-S203 PolarHBondContact O-N 2.92Å; S203-K207 PolarHBondContact O-N 2.88Å; S203-K207 VanDerWaalsContact O-N 3.07Å; S203-L208 PolarHBondContact O-N 3.28Å; S203-L208 VanDerWaalsContact O-N 3.11Å; S203-G221 VanDerWaalsContact CB-CA 3.41Å; S203-G221 WeakPolarHBondContact OG-CA 3.39Å
204R90.7Very high88.2Confident101 Ų10152.6 Ų52.638%0.38125%0.254SS..Hα-helixtrans-64.4-44.3173.2-72.4-170-63.8-88.56.6112.4G73 D200 K201 L202 L206 K207G73-R204 PolarHBondContact O-NE 2.73Å; G73-R204 PolarHBondContact O-NH1 3.23Å; D200-R204 WeakPolarHBondContact O-CG 3.39Å; D200-R204 PolarHBondContact O-N 3.33Å; K201-R204 PolarHBondContact O-N 3.28Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 3.05Å; R204-L206 VanDerWaalsContact C-N 3.3Å; R204-L206 PolarHBondContact O-N 3.3Å; R204-K207 WeakPolarHBondContact O-CA 3.44Å; R204-K207 PolarHBondContact O-N 2.92Å
205R92.8Very high87.4Confident60 Ų6055.8 Ų55.823%0.22628%0.276CS..Hα-helixtrans-62.2-37.5179.8177.458.7-174.288.3-6.6112.3K201 L202 K207 I266 N267 E270K201-R205 WeakPolarHBondContact O-CB 3.42Å; K201-R205 PolarHBondContact O-N 3.22Å; L202-R205 PolarHBondContact O-N 3.05Å; L202-R205 VanDerWaalsContact O-N 3.16Å; R205-K207 VanDerWaalsContact C-N 3.27Å; R205-I266 HydrophobicContact CG-CD1 4.01Å; R205-I266 HydrophobicContact CG-CG2 4.31Å; R205-I266 VanDerWaalsContact CZ-CG2 3.4Å; R205-N267 PolarHBondContact NH2-OD1 3.41Å; R205-E270 IonicContact CZ-OE1 2.68Å; R205-E270 IonicContact CZ-OE2 2.67Å; R205-E270 IonicContact NH1-OE1 2.62Å; R205-E270 PolarHBondContact NH1-OE1 2.91Å; R205-E270 IonicContact NH1-OE2 3.63Å; R205-E270 VanDerWaalsContact NH2-CD 3.3Å; R205-E270 IonicContact NH2-OE1 2.64Å; R205-E270 PolarHBondContact NH2-OE1 3.1Å; R205-E270 IonicContact NH2-OE2 3.43Å; R205-E270 PolarHBondContact NH2-OE2 3.36Å
206L92.6Very high86.7Confident14 Ų1456 Ų567%0.07328%0.277CS..THydrogen-bonded Turntrans-81.6-4.4174.9-68170.3000113.1L202 R204 L208 I266 L280 I285 V288L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.03Å; R204-L206 VanDerWaalsContact C-N 3.3Å; R204-L206 PolarHBondContact O-N 3.3Å; L206-L208 HydrophobicContact CB-CD2 3.6Å; L206-L208 HydrophobicContact CB-CG 3.93Å; L206-L208 HydrophobicContact CD1-CD2 4.39Å; L206-L208 PolarHBondContact O-N 3.02Å; L206-I266 HydrophobicContact CD1-CD1 4.46Å; L206-I266 HydrophobicContact CD2-CD1 3.6Å; L206-I266 HydrophobicContact CD2-CG1 3.85Å; L206-I266 HydrophobicContact CD2-CG2 4.4Å; L206-I266 HydrophobicContact CG-CD1 3.87Å; L206-L280 HydrophobicContact CD2-CD1 3.98Å; L206-I285 HydrophobicContact CB-CG2 4.46Å; L206-I285 HydrophobicContact CD1-CG2 4.34Å; L206-I285 HydrophobicContact CD2-CG1 4.47Å; L206-I285 HydrophobicContact CD2-CG2 4.46Å; L206-V288 HydrophobicContact CD1-CG1 4.13Å; L206-V288 HydrophobicContact CD2-CG1 4.48Å
207K89.4Confident85.9Confident105 Ų10562.3 Ų62.346%0.45730%0.303SS..THydrogen-bonded Turntrans53.839.3180-56.5170.2-176.3165.20112.2S203 R204 R205 N209 R210S203-K207 PolarHBondContact O-N 2.88Å; S203-K207 VanDerWaalsContact O-N 3.07Å; R204-K207 WeakPolarHBondContact O-CA 3.44Å; R204-K207 PolarHBondContact O-N 2.92Å; R205-K207 VanDerWaalsContact C-N 3.27Å; K207-N209 PolarHBondContact O-N 2.89Å; K207-N209 VanDerWaalsContact O-N 3.14Å; K207-R210 HydrophobicContact CB-CB 4.43Å; K207-R210 HydrophobicContact CB-CG 4.26Å; K207-R210 WeakPolarHBondContact O-CB 3.38Å; K207-R210 PolarHBondContact O-N 3.03Å
208L89.1Confident85.1Confident0 Ų062 Ų620%031%0.311CS..G310 helixtrans-58.8-31.7-174-59.2-171.9000112.5S203 L206 R210 L211 L216 A224 I225 I228 I285S203-L208 PolarHBondContact O-N 3.28Å; S203-L208 VanDerWaalsContact O-N 3.11Å; L206-L208 HydrophobicContact CB-CD2 3.6Å; L206-L208 HydrophobicContact CB-CG 3.93Å; L206-L208 HydrophobicContact CD1-CD2 4.39Å; L206-L208 PolarHBondContact O-N 3.02Å; L208-R210 PolarHBondContact O-N 2.87Å; L208-L211 HydrophobicContact CD2-CD1 3.88Å; L208-L211 WeakPolarHBondContact O-CB 3.29Å; L208-L211 PolarHBondContact O-N 3.38Å; L208-L211 VanDerWaalsContact O-N 3.16Å; L208-L216 WeakPolarHBondContact O-CD1 3.44Å; L208-A224 HydrophobicContact CB-CB 4.43Å; L208-A224 HydrophobicContact CD1-CB 3.99Å; L208-I225 HydrophobicContact CD1-CG1 3.96Å; L208-I228 HydrophobicContact CD1-CG1 4.29Å; L208-I228 HydrophobicContact CD2-CG1 4.27Å; L208-I285 HydrophobicContact CD2-CG2 3.46Å; L208-I285 VanDerWaalsContact CD2-CG2 3.46Å
209N80.9Confident84.6Confident98 Ų9863.9 Ų63.952%0.52432%0.322SS..G310 helixtrans-66.8-12175.568.2-18.3000114.9K207K207-N209 PolarHBondContact O-N 2.89Å; K207-N209 VanDerWaalsContact O-N 3.14Å
210R80.6Confident84.2Confident189 Ų18966 Ų6671%0.71334%0.341SS*.G310 helixtrans-97-7.7175.8-57.5-172.2-173.9-178.7-1.7112.9K207 L208K207-R210 HydrophobicContact CB-CB 4.43Å; K207-R210 HydrophobicContact CB-CG 4.26Å; K207-R210 WeakPolarHBondContact O-CB 3.38Å; K207-R210 PolarHBondContact O-N 3.03Å; L208-R210 PolarHBondContact O-N 2.87Å
211L81.8Confident84.1Confident47 Ų4764 Ų6425%0.24633%0.331CS..SBendtrans-66.6139.2171.2-60.7175000107.8L208 D213 L216 I228 I282 I285L208-L211 HydrophobicContact CD2-CD1 3.88Å; L208-L211 WeakPolarHBondContact O-CB 3.29Å; L208-L211 PolarHBondContact O-N 3.38Å; L208-L211 VanDerWaalsContact O-N 3.16Å; L211-D213 PolarHBondContact O-N 3.31Å; L211-L216 HydrophobicContact CB-CD1 3.92Å; L211-L216 HydrophobicContact CD1-CD1 4.11Å; L211-I228 HydrophobicContact CD1-CD1 3.7Å; L211-I228 HydrophobicContact CD1-CG1 4.32Å; L211-I282 HydrophobicContact CD1-CD1 3.92Å; L211-I282 HydrophobicContact CD2-CD1 4.2Å; L211-I285 HydrophobicContact CD2-CD1 4.42Å
212S65.4Low84Confident127 Ų12761 Ų6189%0.88832%0.322SS*.SBendtrans-71.723.2-175.752.20000114
213D71.7Confident83.9Confident27 Ų2765.2 Ų65.214%0.14434%0.341CS..  trans-92115.2-178.5-165.6-29.1000109.8L211 C215 L216L211-D213 PolarHBondContact O-N 3.31Å; D213-C215 PolarHBondContact O-N 2.86Å; D213-C215 VanDerWaalsContact O-N 3.16Å; D213-C215 WeakPolarHBondContact OD1-CB 3.45Å; D213-C215 PolarHBondContact OD1-N 2.84Å; D213-C215 PolarHBondContact OD1-SG 3.01Å; D213-C215 VanDerWaalsContact OD1-SG 3.33Å; D213-L216 HydrophobicContact CB-CD1 3.8Å; D213-L216 HydrophobicContact CB-CG 4.02Å; D213-L216 PolarHBondContact O-N 3.07Å
214E71.8Confident83.9Confident129 Ų12964.8 Ų64.860%0.60334%0.338SS*.G310 helixtrans-57-28.6177.5-66.8-61.6138.400112L216 K217E214-L216 PolarHBondContact O-N 3.45Å; E214-L216 VanDerWaalsContact O-N 3.16Å; E214-K217 PolarHBondContact O-N 3Å; E214-K217 WeakPolarHBondContact OE1-CE 3.3Å; E214-K217 IonicContact OE1-NZ 3.72Å; E214-K217 PolarHBondContact OE1-NZ 2.9Å; E214-K217 WeakPolarHBondContact OE2-CD 3.38Å; E214-K217 VanDerWaalsContact OE2-CE 3.3Å; E214-K217 WeakPolarHBondContact OE2-CE 3.42Å; E214-K217 IonicContact OE2-NZ 2.78Å; E214-K217 PolarHBondContact OE2-NZ 3.45Å
215C77.1Confident84.1Confident77 Ų7760 Ų6052%0.5232%0.32SS..G310 helixtrans-67.3-13.5179.3-54.80000113.3D213 V219 I227D213-C215 PolarHBondContact O-N 2.86Å; D213-C215 VanDerWaalsContact O-N 3.16Å; D213-C215 WeakPolarHBondContact OD1-CB 3.45Å; D213-C215 PolarHBondContact OD1-N 2.84Å; D213-C215 PolarHBondContact OD1-SG 3.01Å; D213-C215 VanDerWaalsContact OD1-SG 3.33Å; C215-V219 WeakPolarHBondContact O-CG2 3.49Å; C215-I227 HydrophobicContact CB-CG2 4.37Å
216L81.2Confident84.2Confident5 Ų557.9 Ų57.93%0.02631%0.313CS..G310 helixtrans-99.5-10.6-178.3-59173.5000113.2L208 L211 D213 E214 G218 V219 A224 I227 I228L208-L216 WeakPolarHBondContact O-CD1 3.44Å; L211-L216 HydrophobicContact CB-CD1 3.92Å; L211-L216 HydrophobicContact CD1-CD1 4.11Å; D213-L216 HydrophobicContact CB-CD1 3.8Å; D213-L216 HydrophobicContact CB-CG 4.02Å; D213-L216 PolarHBondContact O-N 3.07Å; E214-L216 PolarHBondContact O-N 3.45Å; E214-L216 VanDerWaalsContact O-N 3.16Å; L216-G218 PolarHBondContact O-N 3.06Å; L216-G218 VanDerWaalsContact O-N 3.16Å; L216-V219 PolarHBondContact O-N 2.97Å; L216-A224 HydrophobicContact CD2-CB 3.95Å; L216-I227 HydrophobicContact CD2-CB 4.17Å; L216-I227 HydrophobicContact CD2-CG2 3.97Å; L216-I228 HydrophobicContact CD1-CD1 3.64Å; L216-I228 HydrophobicContact CD1-CG1 4.08Å; L216-I228 HydrophobicContact CD2-CD1 4.32Å; L216-I228 HydrophobicContact CD2-CG1 4.11Å
217K77.4Confident84.3Confident137 Ų13758.7 Ų58.760%0.59632%0.317SS*.THydrogen-bonded Turntrans-67116.3-177.4-72.8-174.2-174.7165.80111E214 V219E214-K217 PolarHBondContact O-N 3Å; E214-K217 WeakPolarHBondContact OE1-CE 3.3Å; E214-K217 IonicContact OE1-NZ 3.72Å; E214-K217 PolarHBondContact OE1-NZ 2.9Å; E214-K217 WeakPolarHBondContact OE2-CD 3.38Å; E214-K217 VanDerWaalsContact OE2-CE 3.3Å; E214-K217 WeakPolarHBondContact OE2-CE 3.42Å; E214-K217 IonicContact OE2-NZ 2.78Å; E214-K217 PolarHBondContact OE2-NZ 3.45Å; K217-V219 VanDerWaalsContact C-N 3.26Å; K217-V219 PolarHBondContact O-N 3.14Å
218G77.5Confident84.5Confident39 Ų3953.7 Ų53.740%0.40230%0.295SS..THydrogen-bonded Turntrans74.911.4177.900000114.7L216L216-G218 PolarHBondContact O-N 3.06Å; L216-G218 VanDerWaalsContact O-N 3.16Å
219V85.6Confident84.8Confident40 Ų4054.1 Ų54.124%0.24230%0.298CS..  trans-87.6138.4179.8178.60000110.6C215 L216 K217 K223 I227C215-V219 WeakPolarHBondContact O-CG2 3.49Å; L216-V219 PolarHBondContact O-N 2.97Å; K217-V219 VanDerWaalsContact C-N 3.26Å; K217-V219 PolarHBondContact O-N 3.14Å; V219-K223 HydrophobicContact CG1-CB 3.48Å; V219-K223 VanDerWaalsContact CG1-CB 3.48Å; V219-K223 HydrophobicContact CG1-CG 3.51Å; V219-I227 HydrophobicContact CG1-CD1 4.24Å
220A87.6Confident85.4Confident50 Ų5055 Ų5541%0.41330%0.298SS..  trans-61.3150.1175.500000111.5G222 K223 A224A220-G222 PolarHBondContact O-N 3.34Å; A220-K223 PolarHBondContact O-N 3.35Å; A220-A224 PolarHBondContact O-N 2.85Å
221G90.2Very high86Confident6 Ų649.6 Ų49.66%0.06229%0.285CS..Hα-helixtrans-62.9-39.1-168.300000113.8D200 S203 K223 A224 I225D200-G221 WeakPolarHBondContact OD1-CA 3.14Å; D200-G221 PolarHBondContact OD1-N 3.02Å; S203-G221 VanDerWaalsContact CB-CA 3.41Å; S203-G221 WeakPolarHBondContact OG-CA 3.39Å; G221-K223 VanDerWaalsContact C-N 3.31Å; G221-K223 PolarHBondContact O-N 3.4Å; G221-A224 WeakPolarHBondContact O-CB 3.41Å; G221-A224 PolarHBondContact O-N 3.28Å; G221-I225 WeakPolarHBondContact O-CG1 3.3Å; G221-I225 PolarHBondContact O-N 3.45Å
222G92.6Very high86.5Confident15 Ų1551 Ų5116%0.15529%0.288CS..Hα-helixtrans-59-38172.500000114.3D200 A220 E226D200-G222 PolarHBondContact OD1-N 3.44Å; A220-G222 PolarHBondContact O-N 3.34Å; G222-E226 PolarHBondContact O-N 3.15Å
223K92.4Very high87.9Confident91 Ų9150.3 Ų50.340%0.39627%0.274SS..Hα-helixtrans-76.2-35.4176.6-175.262.3177-178.20111.7V219 A220 G221 E226 I227V219-K223 HydrophobicContact CG1-CB 3.48Å; V219-K223 VanDerWaalsContact CG1-CB 3.48Å; V219-K223 HydrophobicContact CG1-CG 3.51Å; A220-K223 PolarHBondContact O-N 3.35Å; G221-K223 VanDerWaalsContact C-N 3.31Å; G221-K223 PolarHBondContact O-N 3.4Å; K223-E226 WeakPolarHBondContact CD-OE2 3.42Å; K223-E226 IonicContact NZ-OE1 2.75Å; K223-E226 IonicContact NZ-OE2 2.72Å; K223-E226 PolarHBondContact NZ-OE2 3.03Å; K223-E226 WeakPolarHBondContact O-CB 3.27Å; K223-E226 PolarHBondContact O-N 2.92Å; K223-I227 HydrophobicContact CG-CD1 4.02Å; K223-I227 HydrophobicContact CG-CG1 4.49Å; K223-I227 VanDerWaalsContact O-CG1 3.32Å; K223-I227 WeakPolarHBondContact O-CG1 3.37Å; K223-I227 PolarHBondContact O-N 2.91Å
224A92.8Very high89Confident3 Ų349.2 Ų49.23%0.02527%0.27CS..Hα-helixtrans-61.5-42.3173.700000112.1L208 L216 A220 G221 E226 I227 I228L208-A224 HydrophobicContact CB-CB 4.43Å; L208-A224 HydrophobicContact CD1-CB 3.99Å; L216-A224 HydrophobicContact CD2-CB 3.95Å; A220-A224 PolarHBondContact O-N 2.85Å; G221-A224 WeakPolarHBondContact O-CB 3.41Å; G221-A224 PolarHBondContact O-N 3.28Å; A224-E226 VanDerWaalsContact C-N 3.33Å; A224-E226 PolarHBondContact O-N 3.35Å; A224-I227 PolarHBondContact O-N 3.08Å; A224-I228 WeakPolarHBondContact O-CB 3.19Å; A224-I228 WeakPolarHBondContact O-CG1 3.37Å; A224-I228 PolarHBondContact O-N 2.94Å
225I95.5Very high90.2Very high1 Ų146.6 Ų46.61%0.00526%0.26CS..Hα-helixtrans-59.7-44.5174.8-74.6173.5000110.9L199 L202 L208 G221 A229 C289L199-I225 HydrophobicContact CB-CD1 4.01Å; L199-I225 HydrophobicContact CD2-CD1 3.63Å; L199-I225 HydrophobicContact CD2-CG2 4.31Å; L199-I225 HydrophobicContact CG-CD1 4.44Å; L199-I225 WeakPolarHBondContact O-CD1 3.3Å; L202-I225 HydrophobicContact CB-CD1 4.04Å; L208-I225 HydrophobicContact CD1-CG1 3.96Å; G221-I225 WeakPolarHBondContact O-CG1 3.3Å; G221-I225 PolarHBondContact O-N 3.45Å; I225-A229 WeakPolarHBondContact O-CB 2.97Å; I225-A229 PolarHBondContact O-N 2.83Å; I225-C289 HydrophobicContact CG2-CB 3.87Å
226E95.5Very high91.1Very high16 Ų1643.4 Ų43.48%0.07524%0.237CC..Hα-helixtrans-62.4-46.4177-170.7-172.7-176.500112.5G222 K223 A224 K230 C339G222-E226 PolarHBondContact O-N 3.15Å; K223-E226 WeakPolarHBondContact CD-OE2 3.42Å; K223-E226 IonicContact NZ-OE1 2.75Å; K223-E226 IonicContact NZ-OE2 2.72Å; K223-E226 PolarHBondContact NZ-OE2 3.03Å; K223-E226 WeakPolarHBondContact O-CB 3.27Å; K223-E226 PolarHBondContact O-N 2.92Å; A224-E226 VanDerWaalsContact C-N 3.33Å; A224-E226 PolarHBondContact O-N 3.35Å; E226-K230 WeakPolarHBondContact O-CB 3.32Å; E226-K230 PolarHBondContact O-N 2.82Å; E226-C339 VanDerWaalsContact OE1-CB 3.24Å; E226-C339 WeakPolarHBondContact OE1-CB 3.44Å; E226-C339 PolarHBondContact OE1-N 3.22Å; E226-C339 PolarHBondContact OE1-SG 2.9Å
227I94.1Very high91.7Very high31 Ų3149.6 Ų49.616%0.15927%0.266CS..Hα-helixtrans-61.6-48.1178.7-69.7167.4000110.2C215 L216 V219 K223 A224 K230 T231C215-I227 HydrophobicContact CB-CG2 4.37Å; L216-I227 HydrophobicContact CD2-CB 4.17Å; L216-I227 HydrophobicContact CD2-CG2 3.97Å; V219-I227 HydrophobicContact CG1-CD1 4.24Å; K223-I227 HydrophobicContact CG-CD1 4.02Å; K223-I227 HydrophobicContact CG-CG1 4.49Å; K223-I227 VanDerWaalsContact O-CG1 3.32Å; K223-I227 WeakPolarHBondContact O-CG1 3.37Å; K223-I227 PolarHBondContact O-N 2.91Å; A224-I227 PolarHBondContact O-N 3.08Å; I227-K230 PolarHBondContact O-N 2.82Å; I227-T231 VanDerWaalsContact O-CB 3.29Å; I227-T231 WeakPolarHBondContact O-CB 3.17Å; I227-T231 PolarHBondContact O-N 3.43Å; I227-T231 PolarHBondContact O-OG1 2.87Å
228I94.1Very high92.6Very high0 Ų047.7 Ų47.70%026%0.255CS..Hα-helixtrans-64.7-45.1-178-72.7-61.8000112.2L208 L211 L216 A224 K230 Y232 I285 A286 C289L208-I228 HydrophobicContact CD1-CG1 4.29Å; L208-I228 HydrophobicContact CD2-CG1 4.27Å; L211-I228 HydrophobicContact CD1-CD1 3.7Å; L211-I228 HydrophobicContact CD1-CG1 4.32Å; L216-I228 HydrophobicContact CD1-CD1 3.64Å; L216-I228 HydrophobicContact CD1-CG1 4.08Å; L216-I228 HydrophobicContact CD2-CD1 4.32Å; L216-I228 HydrophobicContact CD2-CG1 4.11Å; A224-I228 WeakPolarHBondContact O-CB 3.19Å; A224-I228 WeakPolarHBondContact O-CG1 3.37Å; A224-I228 PolarHBondContact O-N 2.94Å; I228-K230 PolarHBondContact O-N 2.59Å; I228-Y232 HydrophobicContact CD1-CD2 3.98Å; I228-Y232 HydrophobicContact CD1-CE2 3.68Å; I228-Y232 HydrophobicContact CG2-CD2 4.46Å; I228-Y232 PolarHBondContact O-N 2.91Å; I228-I285 HydrophobicContact CG2-CG2 3.94Å; I228-A286 HydrophobicContact CG2-CB 4.33Å; I228-C289 HydrophobicContact CG2-CB 4.32Å
229A95.3Very high93.5Very high8 Ų847.2 Ų47.27%0.06624%0.242CC..Hα-helixtrans-57.1-41.5175.700000111.2I225 N233 G234 C289 A290I225-A229 WeakPolarHBondContact O-CB 2.97Å; I225-A229 PolarHBondContact O-N 2.83Å; A229-N233 PolarHBondContact O-N 2.7Å; A229-G234 PolarHBondContact O-N 3.05Å; A229-C289 HydrophobicContact CB-CB 4.01Å; A229-A290 HydrophobicContact CB-CB 4Å
230K94.1Very high93.9Very high118 Ų11852.7 Ų52.751%0.51327%0.27SS..Hα-helixtrans-74.2-53.6-179-175.7-177171.783.90113E226 I227 I228 Y232 N233 P428E226-K230 WeakPolarHBondContact O-CB 3.32Å; E226-K230 PolarHBondContact O-N 2.82Å; I227-K230 PolarHBondContact O-N 2.82Å; I228-K230 PolarHBondContact O-N 2.59Å; K230-Y232 VanDerWaalsContact C-N 3.26Å; K230-Y232 PolarHBondContact O-N 2.67Å; K230-N233 PolarHBondContact O-N 3.47Å; K230-N233 PolarHBondContact O-OD1 2.88Å; K230-P428 HydrophobicContact CB-CB 4.38Å; K230-P428 HydrophobicContact CG-CB 3.83Å; K230-P428 PolarHBondContact NZ-OXT 3.45Å; K230-P428 VanDerWaalsContact O-CB 3.3Å; K230-P428 WeakPolarHBondContact O-CB 3.49Å
231T92.4Very high94.3Very high74 Ų7451 Ų5145%0.45425%0.254SS..Hα-helixtrans-61.2-33.3-173-63.20000112.8I227I227-T231 VanDerWaalsContact O-CB 3.29Å; I227-T231 WeakPolarHBondContact O-CB 3.17Å; I227-T231 PolarHBondContact O-N 3.43Å; I227-T231 PolarHBondContact O-OG1 2.87Å
232Y92.5Very high94.4Very high78 Ų7853.9 Ų53.931%0.30627%0.271SS..THydrogen-bonded Turntrans-11021-176.8-63-80.2000113I228 K230 G234 I282 Q283I228-Y232 HydrophobicContact CD1-CD2 3.98Å; I228-Y232 HydrophobicContact CD1-CE2 3.68Å; I228-Y232 HydrophobicContact CG2-CD2 4.46Å; I228-Y232 PolarHBondContact O-N 2.91Å; K230-Y232 VanDerWaalsContact C-N 3.26Å; K230-Y232 PolarHBondContact O-N 2.67Å; Y232-G234 VanDerWaalsContact C-N 3.33Å; Y232-G234 PolarHBondContact O-N 2.8Å; Y232-I282 HydrophobicContact CD1-CG1 3.62Å; Y232-I282 HydrophobicContact CD1-CG2 4.37Å; Y232-I282 HydrophobicContact CD2-CD1 4.12Å; Y232-I282 HydrophobicContact CD2-CG1 3.95Å; Y232-I282 HydrophobicContact CE1-CD1 4.4Å; Y232-I282 HydrophobicContact CE1-CG1 3.57Å; Y232-I282 HydrophobicContact CE2-CD1 3.91Å; Y232-I282 HydrophobicContact CE2-CG1 3.93Å; Y232-I282 HydrophobicContact CG-CD1 4.47Å; Y232-I282 HydrophobicContact CG-CG1 3.81Å; Y232-Q283 PolarHBondContact O-NE2 2.81Å; Y232-Q283 PolarHBondContact O-OE1 2.85Å
233N93.8Very high94.4Very high111 Ų11154.3 Ų54.359%0.59427%0.27SS*.THydrogen-bonded Turntrans46.752.2177.2-67.124000113.4A229 K230 D235 P428A229-N233 PolarHBondContact O-N 2.7Å; K230-N233 PolarHBondContact O-N 3.47Å; K230-N233 PolarHBondContact O-OD1 2.88Å; N233-D235 PolarHBondContact O-N 3.15Å; N233-P428 HydrophobicContact CB-CG 4.15Å
234G95.9Very high94.4Very high5 Ų550.9 Ų50.95%0.05226%0.257CS..  trans-59.7129.5-178.200000112.2A229 Y232 H236 D287 A290A229-G234 PolarHBondContact O-N 3.05Å; Y232-G234 VanDerWaalsContact C-N 3.33Å; Y232-G234 PolarHBondContact O-N 2.8Å; G234-H236 PolarHBondContact O-N 3.31Å; G234-D287 VanDerWaalsContact CA-OD1 3.31Å; G234-D287 WeakPolarHBondContact CA-OD1 3.41Å; G234-A290 WeakPolarHBondContact O-CB 3.41Å
235D96.3Very high94.2Very high73 Ų7354.7 Ų54.739%0.3927%0.271SS..  trans-78.1105.1173.6179.66.5000110.1N233 Q237 R238 D287 S291N233-D235 PolarHBondContact O-N 3.15Å; D235-Q237 PolarHBondContact O-N 2.92Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.3Å; D235-Q237 WeakPolarHBondContact OD1-CB 3.35Å; D235-Q237 PolarHBondContact OD1-N 2.75Å; D235-R238 HydrophobicContact CB-CB 4.1Å; D235-R238 WeakPolarHBondContact O-CB 3.47Å; D235-R238 PolarHBondContact O-N 3.05Å; D235-R238 PolarHBondContact OD1-N 3.16Å; D235-D287 PolarHBondContact N-OD1 3.39Å; D235-S291 PolarHBondContact O-OG 2.96Å
236H95.6Very high93.7Very high11 Ų1157.4 Ų57.45%0.05129%0.29CS..THydrogen-bonded Turntrans-68.2-12.2178.767.6-87.6000114.4G234 A290 F294 F426G234-H236 PolarHBondContact O-N 3.31Å; H236-A290 HydrophobicContact CB-CB 4Å; H236-F294 HydrophobicContact CB-CB 3.85Å; H236-F294 HydrophobicContact CB-CG 4.22Å; H236-F294 AromaticContact CD2-CD2 3.52Å; H236-F294 AromaticContact CD2-CE2 3.68Å; H236-F294 AromaticContact CD2-CG 3.82Å; H236-F426 HydrophobicContact CB-CB 4.17Å; H236-F426 VanDerWaalsContact CE1-CB 3.47Å; H236-F426 WeakPolarHBondContact CE1-CB 3.31Å; H236-F426 VanDerWaalsContact CG-CB 3.49Å; H236-F426 VanDerWaalsContact ND1-CB 3.31Å; H236-F426 WeakPolarHBondContact ND1-CB 3.39Å; H236-F426 PolarHBondContact ND1-O 2.72Å
237Q93.6Very high93.4Very high134 Ų13464.9 Ų64.963%0.62633%0.325SS*.THydrogen-bonded Turntrans-99.9-12.3179.9-55.8-169.3-18.600112.8D235 F239D235-Q237 PolarHBondContact O-N 2.92Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.3Å; D235-Q237 WeakPolarHBondContact OD1-CB 3.35Å; D235-Q237 PolarHBondContact OD1-N 2.75Å; Q237-F239 PolarHBondContact O-N 2.62Å
238R96.4Very high93.3Very high97 Ų9765.2 Ų65.237%0.36633%0.329SS..SBendtrans-56.2-38.5-177.8-175.3175.6175.1-163.9-7.8112.4D235 D284 D287D235-R238 HydrophobicContact CB-CB 4.1Å; D235-R238 WeakPolarHBondContact O-CB 3.47Å; D235-R238 PolarHBondContact O-N 3.05Å; D235-R238 PolarHBondContact OD1-N 3.16Å; R238-D284 IonicContact CZ-OD1 3.15Å; R238-D284 IonicContact NH1-OD1 3.7Å; R238-D284 PolarHBondContact NH1-OD1 2.74Å; R238-D284 IonicContact NH2-OD1 2.69Å; R238-D284 PolarHBondContact NH2-OD1 3.16Å; R238-D287 HydrophobicContact CB-CB 4.22Å; R238-D287 WeakPolarHBondContact CD-OD2 3.26Å; R238-D287 IonicContact CZ-OD2 3.52Å; R238-D287 IonicContact NE-OD2 3.61Å; R238-D287 IonicContact NH1-OD2 3.78Å; R238-D287 PolarHBondContact NH1-OD2 2.8Å
239F96.8Very high93.3Very high30 Ų3068 Ų6813%0.13234%0.342CS..SBendtrans-122.5118.4-178.4-52.8-63.5000112.2Q237 L241 L265 L269 D287 V288 S291Q237-F239 PolarHBondContact O-N 2.62Å; F239-L241 PolarHBondContact O-N 3.29Å; F239-L241 VanDerWaalsContact O-N 3.11Å; F239-L265 HydrophobicContact CB-CD1 4.46Å; F239-L265 HydrophobicContact CB-CD2 3.59Å; F239-L265 HydrophobicContact CD1-CD1 3.52Å; F239-L265 HydrophobicContact CD1-CD2 4.04Å; F239-L265 HydrophobicContact CD1-CG 4.38Å; F239-L265 HydrophobicContact CD2-CD2 3.71Å; F239-L265 HydrophobicContact CE1-CD1 3.74Å; F239-L265 HydrophobicContact CE2-CD2 4.34Å; F239-L265 HydrophobicContact CG-CD1 3.92Å; F239-L265 HydrophobicContact CG-CD2 3.51Å; F239-L265 HydrophobicContact CG-CG 4.31Å; F239-L265 HydrophobicContact CZ-CD1 4.31Å; F239-L269 HydrophobicContact CE1-CD1 4.29Å; F239-L269 HydrophobicContact CE1-CD2 4.07Å; F239-L269 HydrophobicContact CE2-CD1 4.15Å; F239-L269 HydrophobicContact CZ-CD1 3.68Å; F239-L269 HydrophobicContact CZ-CD2 3.94Å; F239-L269 HydrophobicContact CZ-CG 4.38Å; F239-D287 HydrophobicContact CD2-CB 4.25Å; F239-D287 HydrophobicContact CE2-CB 3.77Å; F239-V288 HydrophobicContact CD2-CG2 4.11Å; F239-V288 HydrophobicContact CE2-CG2 3.8Å; F239-S291 PolarHBondContact N-OG 3.41Å
240N93.8Very high93.2Very high155 Ų15568 Ų6883%0.82934%0.34SS*.  trans-82.291.3177.1-172.729.9000111
241L96.1Very high93.3Very high14 Ų1462.3 Ų62.37%0.07332%0.316CS..  trans-78.8144.4173.6-63.4177.6000111.3F239 A261 L265 V292 C295F239-L241 PolarHBondContact O-N 3.29Å; F239-L241 VanDerWaalsContact O-N 3.11Å; L241-A261 HydrophobicContact CD2-CB 4.12Å; L241-L265 HydrophobicContact CD2-CD2 4.12Å; L241-V292 HydrophobicContact CD1-CB 4.28Å; L241-V292 HydrophobicContact CD1-CG2 3.63Å; L241-C295 HydrophobicContact CB-CB 3.91Å; L241-C295 HydrophobicContact CD1-CB 4.27Å
242P93.2Very high93.6Very high67 Ų6759.4 Ų59.444%0.43530%0.297SS..  trans-68.8148.8-178.930.1-35.2000110.8P244 A261 C295P242-P244 VanDerWaalsContact O-CD 3.24Å; P242-P244 WeakPolarHBondContact O-CD 3.08Å; P242-A261 HydrophobicContact CG-CB 3.58Å; P242-C295 PolarHBondContact O-SG 3.4Å
243L92.7Very high93.8Very high24 Ų2455.7 Ų55.713%0.12628%0.283CS..  trans-96100.3169.3-68.4174.5000109.3S246 C295 R298 L299 R302L243-S246 WeakPolarHBondContact O-CB 3.36Å; L243-S246 PolarHBondContact O-N 3.23Å; L243-S246 PolarHBondContact O-OG 3.02Å; L243-C295 WeakPolarHBondContact CD2-O 3.14Å; L243-R298 HydrophobicContact CD2-CB 3.98Å; L243-L299 HydrophobicContact CD2-CB 4.22Å; L243-R302 VanDerWaalsContact CD1-CZ 3.48Å
244P91.3Very high93.9Very high19 Ų1951.4 Ų51.412%0.12326%0.262CS..THydrogen-bonded Turntrans-61.4146.3-177.4-23.437.5000111.1P242 S246 S254 I258 L299P242-P244 VanDerWaalsContact O-CD 3.24Å; P242-P244 WeakPolarHBondContact O-CD 3.08Å; P244-S246 PolarHBondContact O-N 2.83Å; P244-S246 VanDerWaalsContact O-N 3.07Å; P244-S254 WeakPolarHBondContact CB-O 3.33Å; P244-S254 WeakPolarHBondContact CG-O 3.5Å; P244-I258 HydrophobicContact CG-CG1 3.88Å; P244-L299 WeakPolarHBondContact O-CD1 3.26Å
245R89.6Confident93.9Very high83 Ų8351.2 Ų51.231%0.31326%0.259SS..THydrogen-bonded Turntrans57.517.6-177.1-54.5-175.368.6770.6114.1Q247 S248 D250 R303R245-Q247 PolarHBondContact O-N 3.12Å; R245-S248 WeakPolarHBondContact O-CA 3.42Å; R245-S248 VanDerWaalsContact O-CB 3.27Å; R245-S248 WeakPolarHBondContact O-CB 3.44Å; R245-S248 PolarHBondContact O-N 3.36Å; R245-S248 PolarHBondContact O-OG 3.06Å; R245-D250 IonicContact CZ-OD2 3.1Å; R245-D250 IonicContact NE-OD1 2.96Å; R245-D250 PolarHBondContact NE-OD1 3.27Å; R245-D250 IonicContact NE-OD2 3.93Å; R245-D250 IonicContact NH2-OD1 3.05Å; R245-D250 IonicContact NH2-OD2 3.34Å; R245-D250 PolarHBondContact NH2-OD2 3.37Å; R245-R303 VanDerWaalsContact CB-NH2 3.28Å; R245-R303 PolarHBondContact O-NH2 2.9Å
246S85.4Confident93.9Very high57 Ų5750.5 Ų50.540%0.39926%0.258SS..THydrogen-bonded Turntrans-56.6-25.6-175.248.30000114.8L243 P244L243-S246 WeakPolarHBondContact O-CB 3.36Å; L243-S246 PolarHBondContact O-N 3.23Å; L243-S246 PolarHBondContact O-OG 3.02Å; P244-S246 PolarHBondContact O-N 2.83Å; P244-S246 VanDerWaalsContact O-N 3.07Å
247Q87.5Confident93.8Very high174 Ų17451.1 Ų51.181%0.81327%0.268SS*.THydrogen-bonded Turntrans-88.4-14.8174.2-57.8-58.7-30.100113.6R245R245-Q247 PolarHBondContact O-N 3.12Å
248S92.9Very high93.9Very high37 Ų3744.8 Ų44.826%0.25924%0.238SC..  trans-74.5128.6177.9-51.70000110R245 D250 R303R245-S248 WeakPolarHBondContact O-CA 3.42Å; R245-S248 VanDerWaalsContact O-CB 3.27Å; R245-S248 WeakPolarHBondContact O-CB 3.44Å; R245-S248 PolarHBondContact O-N 3.36Å; R245-S248 PolarHBondContact O-OG 3.06Å; S248-D250 VanDerWaalsContact C-N 3.26Å; S248-D250 WeakPolarHBondContact CB-OD2 3.37Å; S248-D250 PolarHBondContact O-N 2.85Å; S248-R303 PolarHBondContact O-NH1 3.3Å
249K93.4Very high93.9Very high60 Ų6042 Ų4226%0.26123%0.229SC..  trans-91.930.6-177.4-74.4179.9164.4-162.50113.9R306 N413 S415K249-R306 VanDerWaalsContact C-NH1 3.3Å; K249-R306 VanDerWaalsContact CB-NH1 3.28Å; K249-R306 PolarHBondContact O-NH1 2.71Å; K249-N413 WeakPolarHBondContact CD-OD1 3.48Å; K249-N413 WeakPolarHBondContact CE-OD1 3.27Å; K249-N413 PolarHBondContact NZ-O 2.93Å; K249-N413 PolarHBondContact NZ-OD1 3.38Å; K249-S415 PolarHBondContact NZ-OG 3.01Å; K249-S415 VanDerWaalsContact NZ-OG 3.11Å
250D94.4Very high94Very high6 Ų642.6 Ų42.63%0.03224%0.24CC..SBendtrans-107.9174173.453.751.3000111.8R245 S248 D252 R303 R306 K410R245-D250 IonicContact CZ-OD2 3.1Å; R245-D250 IonicContact NE-OD1 2.96Å; R245-D250 PolarHBondContact NE-OD1 3.27Å; R245-D250 IonicContact NE-OD2 3.93Å; R245-D250 IonicContact NH2-OD1 3.05Å; R245-D250 IonicContact NH2-OD2 3.34Å; R245-D250 PolarHBondContact NH2-OD2 3.37Å; S248-D250 VanDerWaalsContact C-N 3.26Å; S248-D250 WeakPolarHBondContact CB-OD2 3.37Å; S248-D250 PolarHBondContact O-N 2.85Å; D250-D252 PolarHBondContact OD1-N 3.42Å; D250-R303 WeakPolarHBondContact O-CD 3.41Å; D250-R303 PolarHBondContact O-NH1 3.45Å; D250-R303 IonicContact OD1-NH1 2.68Å; D250-R306 WeakPolarHBondContact O-CD 3.38Å; D250-K410 HydrophobicContact CB-CB 4.32Å
251C96.5Very high94.1Very high0 Ų036 Ų360%021%0.206CC..SBendtrans-96.410.7175.4-67.60000113.1L175 L187 G188 A307 V409L175-C251 HydrophobicContact CD2-CB 4.16Å; L187-C251 VanDerWaalsContact O-CB 3.31Å; L187-C251 WeakPolarHBondContact O-CB 3.37Å; G188-C251 WeakPolarHBondContact CA-O 3.39Å; C251-A307 PolarHBondContact SG-N 3.08Å; C251-A307 VanDerWaalsContact SG-N 3.42Å; C251-V409 HydrophobicContact CB-CG1 4.32Å
252D97.7Very high94.2Very high12 Ų1235.3 Ų35.36%0.06420%0.203CC..  trans-76.3149.9179.9-75.9-32.7000112.2G188 T189 L191 D250 R303 R406G188-D252 WeakPolarHBondContact CA-OD1 3.21Å; T189-D252 PolarHBondContact N-OD1 3.48Å; T189-D252 WeakPolarHBondContact O-CA 3.5Å; L191-D252 HydrophobicContact CD1-CB 3.81Å; L191-D252 HydrophobicContact CD2-CB 4.31Å; L191-D252 HydrophobicContact CG-CB 3.9Å; D250-D252 PolarHBondContact OD1-N 3.42Å; D252-R303 WeakPolarHBondContact O-CD 3.27Å; D252-R303 PolarHBondContact O-NE 3.32Å; D252-R406 WeakPolarHBondContact OD1-CD 3.47Å; D252-R406 IonicContact OD1-NH1 3.45Å; D252-R406 IonicContact OD2-NH1 2.78Å
253F97Very high94.4Very high0 Ų035.7 Ų35.70%020%0.199CC..BIsolated β-bridgetrans-106.2148178.3-48.4-89.1000110.9L166 L175 T189 L191 F255 L299 I300 R303L166-F253 HydrophobicContact CD1-CE2 4.43Å; L166-F253 HydrophobicContact CD1-CZ 3.88Å; L175-F253 HydrophobicContact CB-CE2 3.97Å; L175-F253 HydrophobicContact CB-CZ 4.07Å; L175-F253 HydrophobicContact CD2-CZ 4.06Å; T189-F253 PolarHBondContact O-N 3.04Å; L191-F253 PolarHBondContact N-O 3.29Å; F253-F255 HydrophobicContact CB-CD2 3.97Å; F253-F255 HydrophobicContact CB-CE1 4.4Å; F253-F255 HydrophobicContact CB-CE2 3.32Å; F253-F255 HydrophobicContact CB-CZ 3.58Å; F253-F255 HydrophobicContact CD1-CE1 4.48Å; F253-F255 HydrophobicContact CD1-CE2 4.32Å; F253-F255 AromaticContact CD1-CZ 3.75Å; F253-F255 HydrophobicContact CD1-CZ 3.75Å; F253-F255 HydrophobicContact CD2-CE2 4.47Å; F253-F255 AromaticContact CG-CE2 3.83Å; F253-F255 HydrophobicContact CG-CE2 3.83Å; F253-F255 AromaticContact CG-CZ 3.74Å; F253-F255 HydrophobicContact CG-CZ 3.74Å; F253-L299 HydrophobicContact CD1-CG 4.42Å; F253-I300 HydrophobicContact CE1-CG1 4.34Å; F253-R303 HydrophobicContact CD1-CB 4.11Å; F253-R303 HydrophobicContact CD1-CG 3.64Å; F253-R303 HydrophobicContact CE1-CB 3.37Å; F253-R303 HydrophobicContact CE1-CG 3.45Å; F253-R303 VanDerWaalsContact CE1-CG 3.45Å; F253-R303 HydrophobicContact CG-CG 4.49Å; F253-R303 HydrophobicContact CZ-CB 3.73Å; F253-R303 HydrophobicContact CZ-CG 4.16Å
254S95.7Very high94.6Very high22 Ų2241.4 Ų41.415%0.15423%0.225CC..  trans-132.7110.2162.7169.80000107.9D192 P244D192-S254 WeakPolarHBondContact OD1-CA 3.47Å; D192-S254 VanDerWaalsContact OD2-CA 3.3Å; D192-S254 WeakPolarHBondContact OD2-CA 3.48Å; D192-S254 WeakPolarHBondContact OD2-CB 3.2Å; D192-S254 PolarHBondContact OD2-OG 3.4Å; P244-S254 WeakPolarHBondContact CB-O 3.33Å; P244-S254 WeakPolarHBondContact CG-O 3.5Å
255F97Very high94.9Very high0 Ų041.7 Ų41.70%023%0.225CC..  trans-97.4-21.2-179.1-60.7-73.8000111.7A190 D192 A193 P195 V198 F253 G257 I258 H259 M296 L299 I300A190-F255 HydrophobicContact CB-CD2 4.16Å; A190-F255 HydrophobicContact CB-CE2 4.08Å; D192-F255 PolarHBondContact OD1-N 3.32Å; D192-F255 PolarHBondContact OD2-N 3.02Å; A193-F255 WeakPolarHBondContact O-CD2 3.42Å; P195-F255 HydrophobicContact CB-CD1 4.04Å; P195-F255 HydrophobicContact CB-CD2 4.17Å; P195-F255 HydrophobicContact CB-CE1 3.9Å; P195-F255 HydrophobicContact CB-CE2 4.02Å; P195-F255 HydrophobicContact CB-CG 4.17Å; P195-F255 HydrophobicContact CB-CZ 3.88Å; P195-F255 HydrophobicContact CG-CD2 4.42Å; P195-F255 HydrophobicContact CG-CE2 3.97Å; P195-F255 HydrophobicContact CG-CZ 4.03Å; V198-F255 HydrophobicContact CB-CB 4.44Å; V198-F255 HydrophobicContact CG2-CB 3.77Å; F253-F255 HydrophobicContact CB-CD2 3.97Å; F253-F255 HydrophobicContact CB-CE1 4.4Å; F253-F255 HydrophobicContact CB-CE2 3.32Å; F253-F255 HydrophobicContact CB-CZ 3.58Å; F253-F255 HydrophobicContact CD1-CE1 4.48Å; F253-F255 HydrophobicContact CD1-CE2 4.32Å; F253-F255 AromaticContact CD1-CZ 3.75Å; F253-F255 HydrophobicContact CD1-CZ 3.75Å; F253-F255 HydrophobicContact CD2-CE2 4.47Å; F253-F255 AromaticContact CG-CE2 3.83Å; F253-F255 HydrophobicContact CG-CE2 3.83Å; F253-F255 AromaticContact CG-CZ 3.74Å; F253-F255 HydrophobicContact CG-CZ 3.74Å; F255-G257 PolarHBondContact O-N 3.1Å; F255-I258 HydrophobicContact CD1-CD1 4.38Å; F255-I258 WeakPolarHBondContact O-CB 3.17Å; F255-I258 PolarHBondContact O-N 3.11Å; F255-H259 PolarHBondContact O-N 3.36Å; F255-H259 VanDerWaalsContact O-N 3.07Å; F255-M296 HydrophobicContact CD1-CE 4.06Å; F255-M296 HydrophobicContact CD1-CG 4.22Å; F255-M296 HydrophobicContact CE1-CG 4.01Å; F255-L299 HydrophobicContact CD1-CD2 3.93Å; F255-L299 HydrophobicContact CE1-CD2 3.85Å; F255-I300 HydrophobicContact CE1-CD1 4.28Å; F255-I300 HydrophobicContact CE1-CG1 4.06Å; F255-I300 HydrophobicContact CZ-CD1 4.48Å; F255-I300 HydrophobicContact CZ-CG1 4.16Å
256T94.5Very high95.2Very high58 Ų5837.7 Ų37.736%0.35621%0.21SC..Hα-helixtrans-63.9-29.7177.762.40000112.9D192 A193 I258 H259 A260D192-T256 HydrophobicContact CB-CG2 3.58Å; D192-T256 WeakPolarHBondContact OD2-CB 3.44Å; D192-T256 PolarHBondContact OD2-N 3.19Å; D192-T256 VanDerWaalsContact OD2-N 3.11Å; D192-T256 PolarHBondContact OD2-OG1 3.39Å; A193-T256 HydrophobicContact CB-CG2 3.57Å; T256-I258 VanDerWaalsContact C-N 3.29Å; T256-I258 PolarHBondContact O-N 3.39Å; T256-H259 WeakPolarHBondContact O-CB 2.94Å; T256-H259 PolarHBondContact O-N 2.91Å; T256-A260 PolarHBondContact O-N 3.38Å
257G93.5Very high95.6Very high25 Ų2538.5 Ų38.526%0.25821%0.21SC..Hα-helixtrans-62.7-35.6172.300000113F255 A261F255-G257 PolarHBondContact O-N 3.1Å; G257-A261 WeakPolarHBondContact O-CB 3.38Å; G257-A261 PolarHBondContact O-N 3.06Å
258I96.6Very high95.9Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-69.9-44.5173.9-56.7179.4000109.6P244 F255 T256 A260 A261 A262 V292 M296 L299P244-I258 HydrophobicContact CG-CG1 3.88Å; F255-I258 HydrophobicContact CD1-CD1 4.38Å; F255-I258 WeakPolarHBondContact O-CB 3.17Å; F255-I258 PolarHBondContact O-N 3.11Å; T256-I258 VanDerWaalsContact C-N 3.29Å; T256-I258 PolarHBondContact O-N 3.39Å; I258-A260 PolarHBondContact O-N 3.16Å; I258-A261 PolarHBondContact O-N 3.19Å; I258-A262 WeakPolarHBondContact O-CB 3.41Å; I258-A262 PolarHBondContact O-N 2.97Å; I258-V292 HydrophobicContact CG2-CG1 4.41Å; I258-M296 HydrophobicContact CD1-CB 4.31Å; I258-L299 HydrophobicContact CD1-CD2 3.92Å
259H96.9Very high96Very high38 Ų3834.7 Ų34.718%0.17619%0.186CC..Hα-helixtrans-55.2-53.6176.5177.7-95000111.9V198 F255 T256 A261 A262 E263V198-H259 HydrophobicContact CB-CB 4.49Å; V198-H259 HydrophobicContact CG1-CB 3.8Å; V198-H259 HydrophobicContact CG2-CB 4.06Å; F255-H259 PolarHBondContact O-N 3.36Å; F255-H259 VanDerWaalsContact O-N 3.07Å; T256-H259 WeakPolarHBondContact O-CB 2.94Å; T256-H259 PolarHBondContact O-N 2.91Å; H259-A261 PolarHBondContact O-N 3.48Å; H259-A262 PolarHBondContact O-N 3.47Å; H259-E263 IonicContact CE1-OE2 2.73Å; H259-E263 PolarHBondContact CE1-OE2 2.7Å; H259-E263 IonicContact ND1-OE2 3.63Å; H259-E263 WeakPolarHBondContact O-CB 3.43Å; H259-E263 PolarHBondContact O-N 3.43Å
260A97.3Very high95.8Very high44 Ų4434.5 Ų34.536%0.36419%0.186SC..Hα-helixtrans-62.2-41.3-177.700000112.3T256 I258 E263 Q264T256-A260 PolarHBondContact O-N 3.38Å; I258-A260 PolarHBondContact O-N 3.16Å; A260-E263 PolarHBondContact O-N 3.1Å; A260-Q264 WeakPolarHBondContact O-CG 3.49Å; A260-Q264 PolarHBondContact O-N 2.64Å
261A97.8Very high95.6Very high15 Ų1537 Ų3712%0.12421%0.205CC..Hα-helixtrans-66.2-41.6177.300000112.3L241 P242 G257 I258 H259 Q264 L265L241-A261 HydrophobicContact CD2-CB 4.12Å; P242-A261 HydrophobicContact CG-CB 3.58Å; G257-A261 WeakPolarHBondContact O-CB 3.38Å; G257-A261 PolarHBondContact O-N 3.06Å; I258-A261 PolarHBondContact O-N 3.19Å; H259-A261 PolarHBondContact O-N 3.48Å; A261-Q264 PolarHBondContact O-N 3.14Å; A261-L265 WeakPolarHBondContact O-CB 3.37Å; A261-L265 PolarHBondContact O-N 2.92Å
262A97.9Very high95.1Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-65.5-39.117500000111.6L202 I258 H259 L265 I266 V292L202-A262 HydrophobicContact CD1-CB 4Å; L202-A262 HydrophobicContact CD2-CB 3.7Å; I258-A262 WeakPolarHBondContact O-CB 3.41Å; I258-A262 PolarHBondContact O-N 2.97Å; H259-A262 PolarHBondContact O-N 3.47Å; A262-L265 WeakPolarHBondContact O-CB 3.49Å; A262-L265 PolarHBondContact O-N 2.62Å; A262-I266 WeakPolarHBondContact O-CB 3.38Å; A262-I266 WeakPolarHBondContact O-CD1 3.21Å; A262-I266 WeakPolarHBondContact O-CG1 3.49Å; A262-I266 PolarHBondContact O-N 2.93Å; A262-V292 HydrophobicContact CB-CG2 3.76Å
263E96.8Very high94.2Very high76 Ų7644.2 Ų44.236%0.35524%0.239SC..Hα-helixtrans-63.2-43.9175.5-174.5172.7-172.100112.1H259 A260 L265 I266 N267H259-E263 IonicContact CE1-OE2 2.73Å; H259-E263 PolarHBondContact CE1-OE2 2.7Å; H259-E263 IonicContact ND1-OE2 3.63Å; H259-E263 WeakPolarHBondContact O-CB 3.43Å; H259-E263 PolarHBondContact O-N 3.43Å; A260-E263 PolarHBondContact O-N 3.1Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-L265 PolarHBondContact O-N 3.28Å; E263-I266 PolarHBondContact O-N 2.92Å; E263-N267 WeakPolarHBondContact O-CB 3.27Å; E263-N267 VanDerWaalsContact O-CG 3.22Å; E263-N267 PolarHBondContact O-N 3.45Å; E263-N267 PolarHBondContact O-ND2 2.68Å
264Q97.3Very high92.6Very high143 Ų14353.6 Ų53.667%0.66827%0.274SS*.Hα-helixtrans-61.4-42.4173.9-74.1177.2-16.500112A260 A261 N267 K268A260-Q264 WeakPolarHBondContact O-CG 3.49Å; A260-Q264 PolarHBondContact O-N 2.64Å; A261-Q264 PolarHBondContact O-N 3.14Å; Q264-N267 PolarHBondContact O-N 2.92Å; Q264-K268 WeakPolarHBondContact O-CB 3.43Å; Q264-K268 PolarHBondContact O-N 3.1Å
265L97.2Very high90.9Very high25 Ų2556.6 Ų56.613%0.13131%0.309CS..Hα-helixtrans-60.3-49175.7171.663.3000111.6F239 L241 A261 A262 E263 N267 K268 L269 V288F239-L265 HydrophobicContact CB-CD1 4.46Å; F239-L265 HydrophobicContact CB-CD2 3.59Å; F239-L265 HydrophobicContact CD1-CD1 3.52Å; F239-L265 HydrophobicContact CD1-CD2 4.04Å; F239-L265 HydrophobicContact CD1-CG 4.38Å; F239-L265 HydrophobicContact CD2-CD2 3.71Å; F239-L265 HydrophobicContact CE1-CD1 3.74Å; F239-L265 HydrophobicContact CE2-CD2 4.34Å; F239-L265 HydrophobicContact CG-CD1 3.92Å; F239-L265 HydrophobicContact CG-CD2 3.51Å; F239-L265 HydrophobicContact CG-CG 4.31Å; F239-L265 HydrophobicContact CZ-CD1 4.31Å; L241-L265 HydrophobicContact CD2-CD2 4.12Å; A261-L265 WeakPolarHBondContact O-CB 3.37Å; A261-L265 PolarHBondContact O-N 2.92Å; A262-L265 WeakPolarHBondContact O-CB 3.49Å; A262-L265 PolarHBondContact O-N 2.62Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-L265 PolarHBondContact O-N 3.28Å; L265-N267 VanDerWaalsContact C-N 3.34Å; L265-N267 PolarHBondContact O-N 3.06Å; L265-K268 WeakPolarHBondContact O-CB 3.36Å; L265-K268 PolarHBondContact O-N 3.17Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CG 4.1Å; L265-L269 HydrophobicContact CG-CD1 4.09Å; L265-L269 WeakPolarHBondContact O-CG 3.34Å; L265-L269 PolarHBondContact O-N 2.89Å; L265-V288 HydrophobicContact CD2-CG2 3.95Å; L265-V288 HydrophobicContact CG-CG2 4.33Å
266I95.8Very high89Confident0 Ų060.2 Ų60.20%033%0.334CS..Hα-helixtrans-59.2-46.3178.2-69.2164.6000110.4L202 R205 L206 A262 E263 K268 L269 E270 L280 V288L202-I266 HydrophobicContact CD2-CD1 4.28Å; R205-I266 HydrophobicContact CG-CD1 4.01Å; R205-I266 HydrophobicContact CG-CG2 4.31Å; R205-I266 VanDerWaalsContact CZ-CG2 3.4Å; L206-I266 HydrophobicContact CD1-CD1 4.46Å; L206-I266 HydrophobicContact CD2-CD1 3.6Å; L206-I266 HydrophobicContact CD2-CG1 3.85Å; L206-I266 HydrophobicContact CD2-CG2 4.4Å; L206-I266 HydrophobicContact CG-CD1 3.87Å; A262-I266 WeakPolarHBondContact O-CB 3.38Å; A262-I266 WeakPolarHBondContact O-CD1 3.21Å; A262-I266 WeakPolarHBondContact O-CG1 3.49Å; A262-I266 PolarHBondContact O-N 2.93Å; E263-I266 PolarHBondContact O-N 2.92Å; I266-K268 VanDerWaalsContact C-N 3.32Å; I266-K268 PolarHBondContact O-N 2.75Å; I266-L269 PolarHBondContact O-N 2.86Å; I266-E270 WeakPolarHBondContact O-CB 3.45Å; I266-E270 WeakPolarHBondContact O-CG 3.49Å; I266-E270 PolarHBondContact O-N 3.49Å; I266-L280 HydrophobicContact CG2-CD1 4Å; I266-V288 HydrophobicContact CD1-CG1 4.2Å; I266-V288 HydrophobicContact CG1-CG1 4.07Å
267N94.3Very high87Confident74 Ų7461 Ų6140%0.39635%0.354SS..Hα-helixtrans-61.2-40.3177.8-70.9-24.4000112.1R205 E263 Q264 L265 S271R205-N267 PolarHBondContact NH2-OD1 3.41Å; E263-N267 WeakPolarHBondContact O-CB 3.27Å; E263-N267 VanDerWaalsContact O-CG 3.22Å; E263-N267 PolarHBondContact O-N 3.45Å; E263-N267 PolarHBondContact O-ND2 2.68Å; Q264-N267 PolarHBondContact O-N 2.92Å; L265-N267 VanDerWaalsContact C-N 3.34Å; L265-N267 PolarHBondContact O-N 3.06Å; N267-S271 WeakPolarHBondContact O-CB 3.26Å; N267-S271 PolarHBondContact O-N 2.84Å
268K94Very high85Confident122 Ų12264 Ų6453%0.5337%0.371SS..Hα-helixtrans-62.5-52.3176.4179.1-178.5170.9-176.20110.9Q264 L265 I266 E270 S271 E272Q264-K268 WeakPolarHBondContact O-CB 3.43Å; Q264-K268 PolarHBondContact O-N 3.1Å; L265-K268 WeakPolarHBondContact O-CB 3.36Å; L265-K268 PolarHBondContact O-N 3.17Å; I266-K268 VanDerWaalsContact C-N 3.32Å; I266-K268 PolarHBondContact O-N 2.75Å; K268-E270 VanDerWaalsContact C-N 3.31Å; K268-E270 PolarHBondContact O-N 3.39Å; K268-S271 PolarHBondContact O-N 2.85Å; K268-S271 PolarHBondContact O-OG 3.27Å; K268-E272 WeakPolarHBondContact CE-OE1 3.09Å; K268-E272 IonicContact NZ-OE1 3.91Å; K268-E272 WeakPolarHBondContact O-CG 3.01Å; K268-E272 PolarHBondContact O-N 3.33Å
269L93.3Very high84.1Confident9 Ų968 Ų685%0.04740%0.404CS..Hα-helixtrans-60.1-39.9179.4-67.5171.3000111.9F239 L265 I266 E272 N273 L280 V288F239-L269 HydrophobicContact CE1-CD1 4.29Å; F239-L269 HydrophobicContact CE1-CD2 4.07Å; F239-L269 HydrophobicContact CE2-CD1 4.15Å; F239-L269 HydrophobicContact CZ-CD1 3.68Å; F239-L269 HydrophobicContact CZ-CD2 3.94Å; F239-L269 HydrophobicContact CZ-CG 4.38Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CG 4.1Å; L265-L269 HydrophobicContact CG-CD1 4.09Å; L265-L269 WeakPolarHBondContact O-CG 3.34Å; L265-L269 PolarHBondContact O-N 2.89Å; I266-L269 PolarHBondContact O-N 2.86Å; L269-E272 PolarHBondContact O-N 3.32Å; L269-N273 WeakPolarHBondContact O-CB 3.46Å; L269-N273 PolarHBondContact O-N 3Å; L269-N273 VanDerWaalsContact O-N 3.12Å; L269-N273 PolarHBondContact O-ND2 2.78Å; L269-L280 HydrophobicContact CB-CD2 3.4Å; L269-L280 HydrophobicContact CD1-CD2 4.48Å; L269-V288 HydrophobicContact CD1-CG2 3.83Å
270E90.7Very high83.7Confident56 Ų5667.1 Ų67.126%0.26240%0.4SS..Hα-helixtrans-65.1-39.3174.8-75.9178.3173.800111.7R205 I266 K268 N273 R274 L280R205-E270 IonicContact CZ-OE1 2.68Å; R205-E270 IonicContact CZ-OE2 2.67Å; R205-E270 IonicContact NH1-OE1 2.62Å; R205-E270 PolarHBondContact NH1-OE1 2.91Å; R205-E270 IonicContact NH1-OE2 3.63Å; R205-E270 VanDerWaalsContact NH2-CD 3.3Å; R205-E270 IonicContact NH2-OE1 2.64Å; R205-E270 PolarHBondContact NH2-OE1 3.1Å; R205-E270 IonicContact NH2-OE2 3.43Å; R205-E270 PolarHBondContact NH2-OE2 3.36Å; I266-E270 WeakPolarHBondContact O-CB 3.45Å; I266-E270 WeakPolarHBondContact O-CG 3.49Å; I266-E270 PolarHBondContact O-N 3.49Å; K268-E270 VanDerWaalsContact C-N 3.31Å; K268-E270 PolarHBondContact O-N 3.39Å; E270-N273 PolarHBondContact O-N 2.8Å; E270-R274 WeakPolarHBondContact O-CG 3.44Å; E270-R274 PolarHBondContact O-N 3.43Å; E270-L280 HydrophobicContact CG-CD1 4.34Å; E270-L280 HydrophobicContact CG-CD2 3.86Å; E270-L280 HydrophobicContact CG-CG 3.83Å
271S88.7Confident83.3Confident59 Ų5967.6 Ų67.641%0.41340%0.4SS..Hα-helixtrans-66.2-38.6178.775.30000112.9N267 K268 N273 R274N267-S271 WeakPolarHBondContact O-CB 3.26Å; N267-S271 PolarHBondContact O-N 2.84Å; K268-S271 PolarHBondContact O-N 2.85Å; K268-S271 PolarHBondContact O-OG 3.27Å; S271-N273 VanDerWaalsContact C-N 3.3Å; S271-N273 PolarHBondContact O-N 3.48Å; S271-R274 PolarHBondContact O-N 3.45Å
272E86.3Confident83Confident117 Ų11769.8 Ų69.855%0.54741%0.41SS..Hα-helixtrans-67.8-32.3176.4-69.7170.1172.400111.1K268 L269K268-E272 WeakPolarHBondContact CE-OE1 3.09Å; K268-E272 IonicContact NZ-OE1 3.91Å; K268-E272 WeakPolarHBondContact O-CG 3.01Å; K268-E272 PolarHBondContact O-N 3.33Å; L269-E272 PolarHBondContact O-N 3.32Å
273N78.5Confident82.8Confident45 Ų4573.6 Ų73.624%0.24143%0.427CS..Hα-helixtrans-83.6-5.7176.7-75.5-52.5000114.7L269 E270 S271 G275 S276L269-N273 WeakPolarHBondContact O-CB 3.46Å; L269-N273 PolarHBondContact O-N 3Å; L269-N273 VanDerWaalsContact O-N 3.12Å; L269-N273 PolarHBondContact O-ND2 2.78Å; E270-N273 PolarHBondContact O-N 2.8Å; S271-N273 VanDerWaalsContact C-N 3.3Å; S271-N273 PolarHBondContact O-N 3.48Å; N273-G275 PolarHBondContact O-N 3.48Å; N273-G275 VanDerWaalsContact O-N 3.08Å; N273-S276 PolarHBondContact O-N 3.45Å; N273-S276 PolarHBondContact O-OG 3.45Å
274R64.2Low82.7Confident197 Ų19770.6 Ų70.674%0.74341%0.414SS*.G310 helixtrans-59.5-25.8-179.8-74.9-178.9-174.61801.2113.7E270 S271 S276 G277E270-R274 WeakPolarHBondContact O-CG 3.44Å; E270-R274 PolarHBondContact O-N 3.43Å; S271-R274 PolarHBondContact O-N 3.45Å; R274-S276 PolarHBondContact O-N 3.34Å; R274-G277 PolarHBondContact O-N 3.45Å
275G59.6Low82.6Confident86 Ų8664.3 Ų64.389%0.88739%0.385SS*.G310 helixtrans-63.3-22.4173.300000114.2N273N273-G275 PolarHBondContact O-N 3.48Å; N273-G275 VanDerWaalsContact O-N 3.08Å
276S57.9Low82.5Confident75 Ų7563.1 Ų63.152%0.52438%0.378SS..G310 helixtrans-103.20.1-178.365.80000114N273 R274 C278N273-S276 PolarHBondContact O-N 3.45Å; N273-S276 PolarHBondContact O-OG 3.45Å; R274-S276 PolarHBondContact O-N 3.34Å; S276-C278 PolarHBondContact O-N 3.07Å
277G51.8Low82.6Confident75 Ų7563.4 Ų63.477%0.77338%0.38SS*.THydrogen-bonded Turntrans64.54.6-179.200000114.8R274R274-G277 PolarHBondContact O-N 3.45Å
278C51.8Low82.8Confident89 Ų8960 Ų6060%0.60136%0.361SS*.PPolyproline II helixtrans-96.9148.9-173.2-97.50000112.9S276S276-C278 PolarHBondContact O-N 3.07Å
279A78Confident82.9Confident84 Ų8454.2 Ų54.269%0.69434%0.337SS*.PPolyproline II helixtrans-58.3166.8156.800000110.3S281A279-S281 PolarHBondContact O-N 3.33Å
280L87.4Confident83.1Confident18 Ų1854.1 Ų54.19%0.09434%0.337CS..PPolyproline II helixtrans-48.5138.7172.9-67.5179.2000111.3L206 I266 L269 E270 D284 I285L206-L280 HydrophobicContact CD2-CD1 3.98Å; I266-L280 HydrophobicContact CG2-CD1 4Å; L269-L280 HydrophobicContact CB-CD2 3.4Å; L269-L280 HydrophobicContact CD1-CD2 4.48Å; E270-L280 HydrophobicContact CG-CD1 4.34Å; E270-L280 HydrophobicContact CG-CD2 3.86Å; E270-L280 HydrophobicContact CG-CG 3.83Å; L280-D284 HydrophobicContact CB-CB 4.32Å; L280-D284 HydrophobicContact CD2-CB 4.44Å; L280-I285 HydrophobicContact CB-CD1 4.27Å; L280-I285 HydrophobicContact CB-CG1 3.8Å; L280-I285 HydrophobicContact CD1-CG1 4.39Å
281S90.8Very high83.4Confident54 Ų5451.4 Ų51.438%0.37833%0.325SS..PPolyproline II helixtrans-63.2154.4173.672.90000110.1A279 Q283 D284 I285A279-S281 PolarHBondContact O-N 3.33Å; S281-Q283 PolarHBondContact O-N 3.38Å; S281-D284 WeakPolarHBondContact CB-OD2 2.74Å; S281-D284 PolarHBondContact N-OD2 3.32Å; S281-D284 PolarHBondContact O-N 3.35Å; S281-D284 VanDerWaalsContact O-N 3.1Å; S281-D284 PolarHBondContact OG-N 3.2Å; S281-D284 VanDerWaalsContact OG-N 3.11Å; S281-D284 PolarHBondContact OG-OD2 3.46Å; S281-I285 WeakPolarHBondContact O-CG1 3.27Å; S281-I285 PolarHBondContact O-N 2.69Å
282I91.1Very high83.8Confident62 Ų6248.8 Ų48.832%0.31831%0.306SS..Hα-helixtrans-59.5-32.9178.6-168.758.5000112L211 Y232 I285 A286L211-I282 HydrophobicContact CD1-CD1 3.92Å; L211-I282 HydrophobicContact CD2-CD1 4.2Å; Y232-I282 HydrophobicContact CD1-CG1 3.62Å; Y232-I282 HydrophobicContact CD1-CG2 4.37Å; Y232-I282 HydrophobicContact CD2-CD1 4.12Å; Y232-I282 HydrophobicContact CD2-CG1 3.95Å; Y232-I282 HydrophobicContact CE1-CD1 4.4Å; Y232-I282 HydrophobicContact CE1-CG1 3.57Å; Y232-I282 HydrophobicContact CE2-CD1 3.91Å; Y232-I282 HydrophobicContact CE2-CG1 3.93Å; Y232-I282 HydrophobicContact CG-CD1 4.47Å; Y232-I282 HydrophobicContact CG-CG1 3.81Å; I282-I285 PolarHBondContact O-N 3.48Å; I282-A286 WeakPolarHBondContact O-CB 2.98Å; I282-A286 PolarHBondContact O-N 3.44Å
283Q93.7Very high84.3Confident79 Ų7943.8 Ų43.837%0.36928%0.283SS..Hα-helixtrans-68.5-42.7175.4-166.96450.300111.8Y232 S281 I285 A286 D287Y232-Q283 PolarHBondContact O-NE2 2.81Å; Y232-Q283 PolarHBondContact O-OE1 2.85Å; S281-Q283 PolarHBondContact O-N 3.38Å; Q283-I285 VanDerWaalsContact C-N 3.26Å; Q283-I285 PolarHBondContact O-N 2.94Å; Q283-A286 PolarHBondContact O-N 3.41Å; Q283-D287 PolarHBondContact NE2-OD1 3.32Å; Q283-D287 WeakPolarHBondContact O-CB 3.04Å; Q283-D287 PolarHBondContact O-N 3.42Å
284D95.2Very high85.2Confident13 Ų1343.5 Ų43.57%0.0728%0.279CS..Hα-helixtrans-58.5-41.9174.5-63.3-37.7000111.3R238 L280 S281 V288R238-D284 IonicContact CZ-OD1 3.15Å; R238-D284 IonicContact NH1-OD1 3.7Å; R238-D284 PolarHBondContact NH1-OD1 2.74Å; R238-D284 IonicContact NH2-OD1 2.69Å; R238-D284 PolarHBondContact NH2-OD1 3.16Å; L280-D284 HydrophobicContact CB-CB 4.32Å; L280-D284 HydrophobicContact CD2-CB 4.44Å; S281-D284 WeakPolarHBondContact CB-OD2 2.74Å; S281-D284 PolarHBondContact N-OD2 3.32Å; S281-D284 PolarHBondContact O-N 3.35Å; S281-D284 VanDerWaalsContact O-N 3.1Å; S281-D284 PolarHBondContact OG-N 3.2Å; S281-D284 VanDerWaalsContact OG-N 3.11Å; S281-D284 PolarHBondContact OG-OD2 3.46Å; D284-V288 WeakPolarHBondContact O-CB 3.41Å; D284-V288 WeakPolarHBondContact O-CG2 3.19Å; D284-V288 PolarHBondContact O-N 2.85Å
285I95Very high86.7Confident12 Ų1234.3 Ų34.36%0.06225%0.245CC..Hα-helixtrans-63.4-46.4176.6-62173.2000110.3L206 L208 L211 I228 L280 S281 I282 Q283 D287 V288 C289L206-I285 HydrophobicContact CB-CG2 4.46Å; L206-I285 HydrophobicContact CD1-CG2 4.34Å; L206-I285 HydrophobicContact CD2-CG1 4.47Å; L206-I285 HydrophobicContact CD2-CG2 4.46Å; L208-I285 HydrophobicContact CD2-CG2 3.46Å; L208-I285 VanDerWaalsContact CD2-CG2 3.46Å; L211-I285 HydrophobicContact CD2-CD1 4.42Å; I228-I285 HydrophobicContact CG2-CG2 3.94Å; L280-I285 HydrophobicContact CB-CD1 4.27Å; L280-I285 HydrophobicContact CB-CG1 3.8Å; L280-I285 HydrophobicContact CD1-CG1 4.39Å; S281-I285 WeakPolarHBondContact O-CG1 3.27Å; S281-I285 PolarHBondContact O-N 2.69Å; I282-I285 PolarHBondContact O-N 3.48Å; Q283-I285 VanDerWaalsContact C-N 3.26Å; Q283-I285 PolarHBondContact O-N 2.94Å; I285-D287 PolarHBondContact O-N 2.9Å; I285-V288 PolarHBondContact O-N 2.53Å; I285-C289 WeakPolarHBondContact O-CB 3.38Å; I285-C289 PolarHBondContact O-N 3.18Å; I285-C289 PolarHBondContact O-SG 3.41Å
286A95.3Very high88.5Confident0 Ų030.3 Ų30.30%020%0.203CC..Hα-helixtrans-59.7-45.6178.500000112.2I228 I282 Q283 C289 A290I228-A286 HydrophobicContact CG2-CB 4.33Å; I282-A286 WeakPolarHBondContact O-CB 2.98Å; I282-A286 PolarHBondContact O-N 3.44Å; Q283-A286 PolarHBondContact O-N 3.41Å; A286-C289 WeakPolarHBondContact O-CB 3.35Å; A286-C289 PolarHBondContact O-N 3.34Å; A286-A290 WeakPolarHBondContact O-CB 3.49Å; A286-A290 PolarHBondContact O-N 2.59Å
287D97.4Very high90.3Very high6 Ų626.7 Ų26.73%0.03218%0.178CC..Hα-helixtrans-69.1-36.7-179.4-61.7-14.3000111.8G234 D235 R238 F239 Q283 I285 S291G234-D287 VanDerWaalsContact CA-OD1 3.31Å; G234-D287 WeakPolarHBondContact CA-OD1 3.41Å; D235-D287 PolarHBondContact N-OD1 3.39Å; R238-D287 HydrophobicContact CB-CB 4.22Å; R238-D287 WeakPolarHBondContact CD-OD2 3.26Å; R238-D287 IonicContact CZ-OD2 3.52Å; R238-D287 IonicContact NE-OD2 3.61Å; R238-D287 IonicContact NH1-OD2 3.78Å; R238-D287 PolarHBondContact NH1-OD2 2.8Å; F239-D287 HydrophobicContact CD2-CB 4.25Å; F239-D287 HydrophobicContact CE2-CB 3.77Å; Q283-D287 PolarHBondContact NE2-OD1 3.32Å; Q283-D287 WeakPolarHBondContact O-CB 3.04Å; Q283-D287 PolarHBondContact O-N 3.42Å; I285-D287 PolarHBondContact O-N 2.9Å; D287-S291 WeakPolarHBondContact O-CB 3.5Å; D287-S291 PolarHBondContact O-N 3.35Å; D287-S291 PolarHBondContact O-OG 2.82Å
288V97.8Very high92.4Very high1 Ų126.7 Ų26.71%0.00616%0.155CC..Hα-helixtrans-62.8-48.4171.3170.10000110.2L206 F239 L265 I266 L269 D284 I285 A290 S291 V292L206-V288 HydrophobicContact CD1-CG1 4.13Å; L206-V288 HydrophobicContact CD2-CG1 4.48Å; F239-V288 HydrophobicContact CD2-CG2 4.11Å; F239-V288 HydrophobicContact CE2-CG2 3.8Å; L265-V288 HydrophobicContact CD2-CG2 3.95Å; L265-V288 HydrophobicContact CG-CG2 4.33Å; I266-V288 HydrophobicContact CD1-CG1 4.2Å; I266-V288 HydrophobicContact CG1-CG1 4.07Å; L269-V288 HydrophobicContact CD1-CG2 3.83Å; D284-V288 WeakPolarHBondContact O-CB 3.41Å; D284-V288 WeakPolarHBondContact O-CG2 3.19Å; D284-V288 PolarHBondContact O-N 2.85Å; I285-V288 PolarHBondContact O-N 2.53Å; V288-A290 PolarHBondContact O-N 3.29Å; V288-S291 PolarHBondContact O-N 3.32Å; V288-V292 HydrophobicContact CG1-CG2 4.35Å; V288-V292 WeakPolarHBondContact O-CB 3.48Å; V288-V292 VanDerWaalsContact O-CG2 3.25Å; V288-V292 WeakPolarHBondContact O-CG2 3.4Å; V288-V292 PolarHBondContact O-N 3.4Å
289C97Very high94.5Very high1 Ų122.6 Ų22.61%0.00713%0.127CC..Hα-helixtrans-57.9-46.9177.4-75.80000111.7I225 I228 A229 I285 A286 V292 Q293I225-C289 HydrophobicContact CG2-CB 3.87Å; I228-C289 HydrophobicContact CG2-CB 4.32Å; A229-C289 HydrophobicContact CB-CB 4.01Å; I285-C289 WeakPolarHBondContact O-CB 3.38Å; I285-C289 PolarHBondContact O-N 3.18Å; I285-C289 PolarHBondContact O-SG 3.41Å; A286-C289 WeakPolarHBondContact O-CB 3.35Å; A286-C289 PolarHBondContact O-N 3.34Å; C289-V292 PolarHBondContact O-N 2.94Å; C289-Q293 WeakPolarHBondContact O-CB 3.37Å; C289-Q293 PolarHBondContact O-N 3.36Å
290A97Very high95.5Very high7 Ų718.6 Ų18.66%0.0589%0.094CC..Hα-helixtrans-63.7-45.7178.100000111.9A229 G234 H236 A286 V288 V292 Q293 F294A229-A290 HydrophobicContact CB-CB 4Å; G234-A290 WeakPolarHBondContact O-CB 3.41Å; H236-A290 HydrophobicContact CB-CB 4Å; A286-A290 WeakPolarHBondContact O-CB 3.49Å; A286-A290 PolarHBondContact O-N 2.59Å; V288-A290 PolarHBondContact O-N 3.29Å; A290-V292 PolarHBondContact O-N 2.78Å; A290-Q293 PolarHBondContact O-N 2.99Å; A290-F294 VanDerWaalsContact O-CB 3.32Å; A290-F294 WeakPolarHBondContact O-CB 3.02Å; A290-F294 PolarHBondContact O-N 3.17Å
291S97.5Very high96Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-64.4-40.1179-62.10000112.2D235 F239 D287 V288 C295D235-S291 PolarHBondContact O-OG 2.96Å; F239-S291 PolarHBondContact N-OG 3.41Å; D287-S291 WeakPolarHBondContact O-CB 3.5Å; D287-S291 PolarHBondContact O-N 3.35Å; D287-S291 PolarHBondContact O-OG 2.82Å; V288-S291 PolarHBondContact O-N 3.32Å; S291-C295 VanDerWaalsContact O-CB 3.27Å; S291-C295 WeakPolarHBondContact O-CB 3.39Å; S291-C295 PolarHBondContact O-N 3.13Å
292V97.7Very high96.2Very high3 Ų318.1 Ų18.12%0.0188%0.083CC..Hα-helixtrans-62.8-48.2174.4167.80000110.7L199 L202 L241 I258 A262 V288 C289 A290 F294 C295 M296L199-V292 HydrophobicContact CD2-CG1 4.05Å; L202-V292 HydrophobicContact CD1-CG1 3.72Å; L202-V292 HydrophobicContact CD1-CG2 3.97Å; L241-V292 HydrophobicContact CD1-CB 4.28Å; L241-V292 HydrophobicContact CD1-CG2 3.63Å; I258-V292 HydrophobicContact CG2-CG1 4.41Å; A262-V292 HydrophobicContact CB-CG2 3.76Å; V288-V292 HydrophobicContact CG1-CG2 4.35Å; V288-V292 WeakPolarHBondContact O-CB 3.48Å; V288-V292 VanDerWaalsContact O-CG2 3.25Å; V288-V292 WeakPolarHBondContact O-CG2 3.4Å; V288-V292 PolarHBondContact O-N 3.4Å; C289-V292 PolarHBondContact O-N 2.94Å; A290-V292 PolarHBondContact O-N 2.78Å; V292-F294 PolarHBondContact O-N 2.95Å; V292-C295 PolarHBondContact O-N 2.86Å; V292-M296 WeakPolarHBondContact O-CB 3.49Å; V292-M296 PolarHBondContact O-N 3.26Å
293Q96.2Very high96.5Very high13 Ų1315.6 Ų15.66%0.0617%0.07CC..Hα-helixtrans-63.6-41.3-179.8-173.1172.588.300111.8C289 A290 M296 T297 N338 V340C289-Q293 WeakPolarHBondContact O-CB 3.37Å; C289-Q293 PolarHBondContact O-N 3.36Å; A290-Q293 PolarHBondContact O-N 2.99Å; Q293-M296 PolarHBondContact O-N 3.01Å; Q293-T297 VanDerWaalsContact O-CB 3.28Å; Q293-T297 WeakPolarHBondContact O-CB 3.5Å; Q293-T297 PolarHBondContact O-N 2.89Å; Q293-T297 PolarHBondContact O-OG1 2.83Å; Q293-N338 PolarHBondContact NE2-ND2 3.17Å; Q293-V340 HydrophobicContact CG-CB 4.1Å; Q293-V340 HydrophobicContact CG-CG1 4.01Å; Q293-V340 VanDerWaalsContact OE1-CB 3.27Å
294F96.2Very high96.7Very high39 Ų3911.9 Ų11.917%0.1715%0.052CC..Hα-helixtrans-61.1-49.9174174-110.7000112.2H236 A290 V292 M296 T297 R298 F426H236-F294 HydrophobicContact CB-CB 3.85Å; H236-F294 HydrophobicContact CB-CG 4.22Å; H236-F294 AromaticContact CD2-CD2 3.52Å; H236-F294 AromaticContact CD2-CE2 3.68Å; H236-F294 AromaticContact CD2-CG 3.82Å; A290-F294 VanDerWaalsContact O-CB 3.32Å; A290-F294 WeakPolarHBondContact O-CB 3.02Å; A290-F294 PolarHBondContact O-N 3.17Å; V292-F294 PolarHBondContact O-N 2.95Å; F294-M296 PolarHBondContact O-N 2.98Å; F294-T297 PolarHBondContact O-N 3.39Å; F294-R298 HydrophobicContact CD2-CG 4.44Å; F294-R298 HydrophobicContact CE2-CG 4.26Å; F294-R298 HydrophobicContact CZ-CG 4.42Å; F294-R298 WeakPolarHBondContact O-CG 3.4Å; F294-R298 PolarHBondContact O-N 2.89Å; F294-F426 HydrophobicContact CB-CD1 4.13Å; F294-F426 HydrophobicContact CB-CE1 4.29Å; F294-F426 AromaticContact CD2-CD1 3.61Å; F294-F426 HydrophobicContact CD2-CD1 3.61Å; F294-F426 AromaticContact CD2-CD2 3.65Å; F294-F426 HydrophobicContact CD2-CD2 3.65Å; F294-F426 AromaticContact CD2-CE1 3.56Å; F294-F426 HydrophobicContact CD2-CE1 3.56Å; F294-F426 AromaticContact CD2-CE2 3.59Å; F294-F426 HydrophobicContact CD2-CE2 3.59Å; F294-F426 AromaticContact CD2-CG 3.66Å; F294-F426 HydrophobicContact CD2-CG 3.66Å; F294-F426 AromaticContact CD2-CZ 3.54Å; F294-F426 HydrophobicContact CD2-CZ 3.54Å; F294-F426 AromaticContact CE2-CD2 3.81Å; F294-F426 HydrophobicContact CE2-CD2 3.81Å; F294-F426 HydrophobicContact CE2-CE1 4.41Å; F294-F426 AromaticContact CE2-CE2 3.63Å; F294-F426 HydrophobicContact CE2-CE2 3.63Å; F294-F426 HydrophobicContact CE2-CG 4.27Å; F294-F426 AromaticContact CE2-CZ 3.95Å; F294-F426 HydrophobicContact CE2-CZ 3.95Å; F294-F426 HydrophobicContact CG-CD1 4.38Å; F294-F426 HydrophobicContact CG-CE1 4.39Å
295C96.3Very high96.8Very high4 Ų411.5 Ų11.53%0.0275%0.05CC..Hα-helixtrans-59.3-46.2178-177.10000111.9L241 P242 L243 S291 V292 R298 L299L241-C295 HydrophobicContact CB-CB 3.91Å; L241-C295 HydrophobicContact CD1-CB 4.27Å; P242-C295 PolarHBondContact O-SG 3.4Å; L243-C295 WeakPolarHBondContact CD2-O 3.14Å; S291-C295 VanDerWaalsContact O-CB 3.27Å; S291-C295 WeakPolarHBondContact O-CB 3.39Å; S291-C295 PolarHBondContact O-N 3.13Å; V292-C295 PolarHBondContact O-N 2.86Å; C295-R298 PolarHBondContact O-N 3.28Å; C295-L299 PolarHBondContact O-N 3.39Å
296M96.9Very high96.8Very high1 Ų111.6 Ų11.61%0.0055%0.05CC..Hα-helixtrans-64.2-44.6178.2-174.2172.5-69.900111.8P195 V198 L199 F255 I258 V292 Q293 F294 R298 L299 I300P195-M296 HydrophobicContact CB-CE 4.08Å; P195-M296 HydrophobicContact CB-SD 3.69Å; V198-M296 HydrophobicContact CB-CE 4.43Å; V198-M296 HydrophobicContact CG1-CE 4.1Å; L199-M296 HydrophobicContact CD1-CE 4.43Å; L199-M296 HydrophobicContact CD1-SD 3.9Å; L199-M296 HydrophobicContact CD2-CE 4.01Å; L199-M296 HydrophobicContact CD2-SD 4.18Å; L199-M296 HydrophobicContact CG-CE 3.91Å; L199-M296 HydrophobicContact CG-SD 4.03Å; F255-M296 HydrophobicContact CD1-CE 4.06Å; F255-M296 HydrophobicContact CD1-CG 4.22Å; F255-M296 HydrophobicContact CE1-CG 4.01Å; I258-M296 HydrophobicContact CD1-CB 4.31Å; V292-M296 WeakPolarHBondContact O-CB 3.49Å; V292-M296 PolarHBondContact O-N 3.26Å; Q293-M296 PolarHBondContact O-N 3.01Å; F294-M296 PolarHBondContact O-N 2.98Å; M296-R298 VanDerWaalsContact C-N 3.35Å; M296-R298 PolarHBondContact O-N 2.7Å; M296-L299 PolarHBondContact O-N 2.96Å; M296-I300 HydrophobicContact CG-CD1 3.78Å; M296-I300 WeakPolarHBondContact O-CB 3.34Å; M296-I300 VanDerWaalsContact O-CG1 3.3Å; M296-I300 WeakPolarHBondContact O-CG1 3.02Å; M296-I300 PolarHBondContact O-N 3.48Å
297T96.9Very high96.8Very high0 Ų011.6 Ų11.60%05%0.05CC..Hα-helixtrans-59.1-45.8176.8-58.60000111Q293 F294 I300 C301 I341 L421 F426Q293-T297 VanDerWaalsContact O-CB 3.28Å; Q293-T297 WeakPolarHBondContact O-CB 3.5Å; Q293-T297 PolarHBondContact O-N 2.89Å; Q293-T297 PolarHBondContact O-OG1 2.83Å; F294-T297 PolarHBondContact O-N 3.39Å; T297-I300 PolarHBondContact O-N 2.99Å; T297-C301 WeakPolarHBondContact O-CB 3.48Å; T297-C301 PolarHBondContact O-N 3.44Å; T297-C301 PolarHBondContact O-SG 3.38Å; T297-I341 WeakPolarHBondContact OG1-CG1 3.32Å; T297-L421 HydrophobicContact CG2-CD1 4.1Å; T297-F426 HydrophobicContact CG2-CE1 3.9Å; T297-F426 HydrophobicContact CG2-CZ 4.01Å
298R95.9Very high96.7Very high75 Ų7511.3 Ų11.328%0.2835%0.048SC..Hα-helixtrans-63.8-42.7177.9-73.4-179.472.9-1629.9112.8L243 F294 C295 M296 I300 R302 L421L243-R298 HydrophobicContact CD2-CB 3.98Å; F294-R298 HydrophobicContact CD2-CG 4.44Å; F294-R298 HydrophobicContact CE2-CG 4.26Å; F294-R298 HydrophobicContact CZ-CG 4.42Å; F294-R298 WeakPolarHBondContact O-CG 3.4Å; F294-R298 PolarHBondContact O-N 2.89Å; C295-R298 PolarHBondContact O-N 3.28Å; M296-R298 VanDerWaalsContact C-N 3.35Å; M296-R298 PolarHBondContact O-N 2.7Å; R298-I300 VanDerWaalsContact C-N 3.33Å; R298-R302 WeakPolarHBondContact O-CB 3.37Å; R298-R302 VanDerWaalsContact O-CG 3.27Å; R298-R302 WeakPolarHBondContact O-CG 3.36Å; R298-R302 PolarHBondContact O-N 3.12Å; R298-L421 HydrophobicContact CG-CD1 4.26Å
299L96.3Very high96.5Very high3 Ų314 Ų142%0.0166%0.061CC..Hα-helixtrans-58.5-49.6174.8174.362.6000110.1L243 P244 F253 F255 I258 C295 M296 R302 R303L243-L299 HydrophobicContact CD2-CB 4.22Å; P244-L299 WeakPolarHBondContact O-CD1 3.26Å; F253-L299 HydrophobicContact CD1-CG 4.42Å; F255-L299 HydrophobicContact CD1-CD2 3.93Å; F255-L299 HydrophobicContact CE1-CD2 3.85Å; I258-L299 HydrophobicContact CD1-CD2 3.92Å; C295-L299 PolarHBondContact O-N 3.39Å; M296-L299 PolarHBondContact O-N 2.96Å; L299-R302 PolarHBondContact O-N 3.19Å; L299-R303 HydrophobicContact CD1-CG 4.49Å; L299-R303 WeakPolarHBondContact O-CG 3.48Å; L299-R303 PolarHBondContact O-N 3.48Å
300I97.9Very high96.3Very high0 Ų014.5 Ų14.50%06%0.063CC..Hα-helixtrans-60.2-51.5-179.1-70.9166.9000111L166 I168 F253 F255 M296 T297 R298 R302 R303 V304 I341 L345L166-I300 HydrophobicContact CD2-CG2 3.59Å; I168-I300 HydrophobicContact CD1-CD1 4.11Å; F253-I300 HydrophobicContact CE1-CG1 4.34Å; F255-I300 HydrophobicContact CE1-CD1 4.28Å; F255-I300 HydrophobicContact CE1-CG1 4.06Å; F255-I300 HydrophobicContact CZ-CD1 4.48Å; F255-I300 HydrophobicContact CZ-CG1 4.16Å; M296-I300 HydrophobicContact CG-CD1 3.78Å; M296-I300 WeakPolarHBondContact O-CB 3.34Å; M296-I300 VanDerWaalsContact O-CG1 3.3Å; M296-I300 WeakPolarHBondContact O-CG1 3.02Å; M296-I300 PolarHBondContact O-N 3.48Å; T297-I300 PolarHBondContact O-N 2.99Å; R298-I300 VanDerWaalsContact C-N 3.33Å; I300-R302 VanDerWaalsContact C-N 3.31Å; I300-R302 PolarHBondContact O-N 2.9Å; I300-R303 PolarHBondContact O-N 3.33Å; I300-R303 VanDerWaalsContact O-N 3.16Å; I300-V304 HydrophobicContact CG2-CG2 4.45Å; I300-V304 WeakPolarHBondContact O-CG2 3.01Å; I300-V304 PolarHBondContact O-N 2.91Å; I300-I341 HydrophobicContact CD1-CD1 4.18Å; I300-I341 HydrophobicContact CD1-CG2 4.35Å; I300-L345 HydrophobicContact CG2-CD1 4.06Å; I300-L345 HydrophobicContact CG2-CD2 3.93Å; I300-L345 HydrophobicContact CG2-CG 4.29Å
301C97.7Very high96Very high6 Ų614.1 Ų14.14%0.0416%0.06CC..Hα-helixtrans-58.2-40.9180-69.40000112.3T297 R303 V304 Q305 G344 V348 L421T297-C301 WeakPolarHBondContact O-CB 3.48Å; T297-C301 PolarHBondContact O-N 3.44Å; T297-C301 PolarHBondContact O-SG 3.38Å; C301-R303 PolarHBondContact O-N 3.13Å; C301-V304 PolarHBondContact O-N 3.01Å; C301-Q305 VanDerWaalsContact O-CB 3.27Å; C301-Q305 WeakPolarHBondContact O-CB 3.25Å; C301-Q305 PolarHBondContact O-N 2.88Å; C301-G344 VanDerWaalsContact SG-C 3.52Å; C301-V348 HydrophobicContact CB-CG2 3.71Å; C301-L421 HydrophobicContact CB-CD1 4.26Å
302R96.2Very high95.6Very high56 Ų5617.4 Ų17.421%0.2118%0.077CC..Hα-helixtrans-64.8-37.5178.2-76.6177.9178.5-160.7-1.3113.2L243 R298 L299 I300 R306 I416 P418L243-R302 VanDerWaalsContact CD1-CZ 3.48Å; R298-R302 WeakPolarHBondContact O-CB 3.37Å; R298-R302 VanDerWaalsContact O-CG 3.27Å; R298-R302 WeakPolarHBondContact O-CG 3.36Å; R298-R302 PolarHBondContact O-N 3.12Å; L299-R302 PolarHBondContact O-N 3.19Å; I300-R302 VanDerWaalsContact C-N 3.31Å; I300-R302 PolarHBondContact O-N 2.9Å; R302-R306 WeakPolarHBondContact O-CB 3.39Å; R302-R306 PolarHBondContact O-N 3.5Å; R302-R306 VanDerWaalsContact O-N 3.11Å; R302-I416 HydrophobicContact CB-CD1 4.4Å; R302-I416 WeakPolarHBondContact O-CD1 3.42Å; R302-P418 HydrophobicContact CG-CB 4.34Å
303R96.8Very high94.9Very high9 Ų919.7 Ų19.73%0.0349%0.089CC..Hα-helixtrans-72.9-40.5177.2-60.5-58.5173.8-152.6-11.9111.5L175 R245 S248 D250 D252 F253 L299 I300 C301 R306 A307L175-R303 HydrophobicContact CD2-CB 4.16Å; L175-R303 WeakPolarHBondContact CD2-O 2.9Å; R245-R303 VanDerWaalsContact CB-NH2 3.28Å; R245-R303 PolarHBondContact O-NH2 2.9Å; S248-R303 PolarHBondContact O-NH1 3.3Å; D250-R303 WeakPolarHBondContact O-CD 3.41Å; D250-R303 PolarHBondContact O-NH1 3.45Å; D250-R303 IonicContact OD1-NH1 2.68Å; D252-R303 WeakPolarHBondContact O-CD 3.27Å; D252-R303 PolarHBondContact O-NE 3.32Å; F253-R303 HydrophobicContact CD1-CB 4.11Å; F253-R303 HydrophobicContact CD1-CG 3.64Å; F253-R303 HydrophobicContact CE1-CB 3.37Å; F253-R303 HydrophobicContact CE1-CG 3.45Å; F253-R303 VanDerWaalsContact CE1-CG 3.45Å; F253-R303 HydrophobicContact CG-CG 4.49Å; F253-R303 HydrophobicContact CZ-CB 3.73Å; F253-R303 HydrophobicContact CZ-CG 4.16Å; L299-R303 HydrophobicContact CD1-CG 4.49Å; L299-R303 WeakPolarHBondContact O-CG 3.48Å; L299-R303 PolarHBondContact O-N 3.48Å; I300-R303 PolarHBondContact O-N 3.33Å; I300-R303 VanDerWaalsContact O-N 3.16Å; C301-R303 PolarHBondContact O-N 3.13Å; R303-R306 PolarHBondContact O-N 3.19Å; R303-A307 PolarHBondContact O-N 3.06Å
304V98Very high93.4Very high0 Ų026.2 Ų26.20%012%0.124CC..Hα-helixtrans-62.3-46.6173.9173.50000110.9M164 L166 L175 I300 C301 R306 A307 I308 L329 L345 V348M164-V304 HydrophobicContact SD-CG1 4.19Å; L166-V304 HydrophobicContact CD1-CG2 4.23Å; L166-V304 HydrophobicContact CD2-CG2 4.1Å; L175-V304 HydrophobicContact CD1-CG2 4.11Å; L175-V304 HydrophobicContact CD2-CG2 4.11Å; I300-V304 HydrophobicContact CG2-CG2 4.45Å; I300-V304 WeakPolarHBondContact O-CG2 3.01Å; I300-V304 PolarHBondContact O-N 2.91Å; C301-V304 PolarHBondContact O-N 3.01Å; V304-R306 VanDerWaalsContact C-N 3.3Å; V304-R306 PolarHBondContact O-N 3.3Å; V304-A307 PolarHBondContact O-N 2.92Å; V304-A307 VanDerWaalsContact O-N 3.13Å; V304-I308 HydrophobicContact CG1-CD1 3.87Å; V304-I308 HydrophobicContact CG1-CG1 4.43Å; V304-I308 WeakPolarHBondContact O-CG1 3.2Å; V304-I308 PolarHBondContact O-N 3.5Å; V304-L329 HydrophobicContact CG1-CD1 3.87Å; V304-L329 HydrophobicContact CG1-CD2 3.7Å; V304-L329 HydrophobicContact CG1-CG 4.44Å; V304-L345 HydrophobicContact CB-CD2 4Å; V304-L345 HydrophobicContact CG1-CD2 4.15Å; V304-L345 HydrophobicContact CG2-CD2 3.75Å; V304-V348 HydrophobicContact CG1-CG1 4.06Å
305Q97.1Very high91.6Very high5 Ų527.5 Ų27.52%0.02314%0.135CC..Hα-helixtrans-52.7-49.7174.1-176.7-177.4-1.100111.1C301 A307 I308 E309 V348 Y352 I416 E417 I419C301-Q305 VanDerWaalsContact O-CB 3.27Å; C301-Q305 WeakPolarHBondContact O-CB 3.25Å; C301-Q305 PolarHBondContact O-N 2.88Å; Q305-A307 PolarHBondContact O-N 2.9Å; Q305-I308 PolarHBondContact O-N 2.81Å; Q305-E309 WeakPolarHBondContact O-CG 3.39Å; Q305-E309 PolarHBondContact O-N 3.23Å; Q305-V348 HydrophobicContact CB-CG1 4.33Å; Q305-Y352 HydrophobicContact CG-CE2 3.91Å; Q305-Y352 WeakPolarHBondContact CG-OH 3.26Å; Q305-Y352 PolarHBondContact NE2-OH 3.3Å; Q305-I416 HydrophobicContact CB-CD1 4.48Å; Q305-I416 HydrophobicContact CG-CD1 4.47Å; Q305-E417 PolarHBondContact NE2-O 2.63Å; Q305-I419 HydrophobicContact CG-CD1 3.98Å; Q305-I419 HydrophobicContact CG-CG1 4.47Å; Q305-I419 VanDerWaalsContact OE1-N 3.14Å
306R95.3Very high89.8Confident14 Ų1434.5 Ų34.55%0.05317%0.172CC..Hα-helixtrans-62-40.4178.1-176.9173.7-75.3-76.9-14.7113.3K249 D250 R302 R303 V304 I308 E309 Y310 I414 I416K249-R306 VanDerWaalsContact C-NH1 3.3Å; K249-R306 VanDerWaalsContact CB-NH1 3.28Å; K249-R306 PolarHBondContact O-NH1 2.71Å; D250-R306 WeakPolarHBondContact O-CD 3.38Å; R302-R306 WeakPolarHBondContact O-CB 3.39Å; R302-R306 PolarHBondContact O-N 3.5Å; R302-R306 VanDerWaalsContact O-N 3.11Å; R303-R306 PolarHBondContact O-N 3.19Å; V304-R306 VanDerWaalsContact C-N 3.3Å; V304-R306 PolarHBondContact O-N 3.3Å; R306-I308 VanDerWaalsContact C-N 3.3Å; R306-E309 PolarHBondContact O-N 3.33Å; R306-Y310 WeakPolarHBondContact O-CB 3.36Å; R306-Y310 PolarHBondContact O-N 2.82Å; R306-I414 PolarHBondContact NH1-O 3.48Å; R306-I414 PolarHBondContact NH2-O 2.92Å; R306-I416 HydrophobicContact CB-CD1 4.25Å; R306-I416 HydrophobicContact CB-CG2 4.27Å
307A95.7Very high87.9Confident0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-64.3-39.2176.200000111M164 L175 L187 C251 R303 V304 Q305 Y310 C311M164-A307 HydrophobicContact CE-CB 3.63Å; M164-A307 HydrophobicContact SD-CB 3.95Å; L175-A307 HydrophobicContact CD1-CB 4.32Å; L175-A307 HydrophobicContact CD2-CB 3.64Å; L175-A307 HydrophobicContact CG-CB 3.95Å; L187-A307 HydrophobicContact CD1-CB 3.91Å; C251-A307 PolarHBondContact SG-N 3.08Å; C251-A307 VanDerWaalsContact SG-N 3.42Å; R303-A307 PolarHBondContact O-N 3.06Å; V304-A307 PolarHBondContact O-N 2.92Å; V304-A307 VanDerWaalsContact O-N 3.13Å; Q305-A307 PolarHBondContact O-N 2.9Å; A307-Y310 PolarHBondContact O-N 2.86Å; A307-C311 PolarHBondContact O-N 3.4Å; A307-C311 PolarHBondContact O-SG 3.28Å
308I95.3Very high86.1Confident1 Ų139.6 Ų39.61%0.00520%0.201CC..Hα-helixtrans-64.6-49.6176.9-65.1164000109.5M164 V304 Q305 R306 Y310 C311 L312 V348 Y352 L354M164-I308 HydrophobicContact CE-CB 4.42Å; M164-I308 HydrophobicContact CE-CG1 3.74Å; M164-I308 HydrophobicContact SD-CG1 3.72Å; V304-I308 HydrophobicContact CG1-CD1 3.87Å; V304-I308 HydrophobicContact CG1-CG1 4.43Å; V304-I308 WeakPolarHBondContact O-CG1 3.2Å; V304-I308 PolarHBondContact O-N 3.5Å; Q305-I308 PolarHBondContact O-N 2.81Å; R306-I308 VanDerWaalsContact C-N 3.3Å; I308-Y310 VanDerWaalsContact C-N 3.3Å; I308-Y310 PolarHBondContact O-N 3.09Å; I308-C311 CarbonylContact O-C 3.48Å; I308-C311 WeakPolarHBondContact O-CA 3.49Å; I308-C311 WeakPolarHBondContact O-CB 3.3Å; I308-C311 PolarHBondContact O-N 2.77Å; I308-L312 HydrophobicContact CG2-CD1 3.84Å; I308-L312 HydrophobicContact CG2-CG 4.24Å; I308-L312 WeakPolarHBondContact O-CG 3.43Å; I308-L312 PolarHBondContact O-N 2.85Å; I308-V348 HydrophobicContact CD1-CG1 3.88Å; I308-Y352 HydrophobicContact CB-CD2 4.22Å; I308-Y352 HydrophobicContact CB-CE2 4.32Å; I308-Y352 HydrophobicContact CB-CG 4.47Å; I308-Y352 HydrophobicContact CD1-CD2 3.8Å; I308-Y352 HydrophobicContact CD1-CE2 4.28Å; I308-Y352 HydrophobicContact CG2-CD1 3.7Å; I308-Y352 HydrophobicContact CG2-CD2 3.72Å; I308-Y352 HydrophobicContact CG2-CE1 4.11Å; I308-Y352 HydrophobicContact CG2-CE2 4.14Å; I308-Y352 HydrophobicContact CG2-CG 3.5Å; I308-L354 HydrophobicContact CD1-CD1 3.86Å; I308-L354 HydrophobicContact CG1-CD1 4Å; I308-L354 HydrophobicContact CG2-CD1 4.09Å
309E93.5Very high84Confident56 Ų5640.1 Ų40.126%0.26222%0.222SC..Hα-helixtrans-56.6-43.2175.9-68.8-71.8-176.900112Q305 R306 C311 L312 L313 Y352 I414 I416Q305-E309 WeakPolarHBondContact O-CG 3.39Å; Q305-E309 PolarHBondContact O-N 3.23Å; R306-E309 PolarHBondContact O-N 3.33Å; E309-C311 VanDerWaalsContact C-N 3.3Å; E309-C311 PolarHBondContact O-N 2.88Å; E309-L312 PolarHBondContact O-N 2.86Å; E309-L313 WeakPolarHBondContact O-CG 3.37Å; E309-L313 PolarHBondContact O-N 2.83Å; E309-L313 VanDerWaalsContact O-N 3.12Å; E309-Y352 VanDerWaalsContact CD-OH 3.23Å; E309-Y352 HydrophobicContact CG-CE1 4.25Å; E309-Y352 VanDerWaalsContact CG-OH 3.29Å; E309-Y352 WeakPolarHBondContact CG-OH 3.42Å; E309-Y352 VanDerWaalsContact OE1-CE1 3.23Å; E309-Y352 WeakPolarHBondContact OE1-CE1 3.31Å; E309-Y352 VanDerWaalsContact OE1-CZ 3.28Å; E309-Y352 PolarHBondContact OE1-OH 2.98Å; E309-I414 HydrophobicContact CB-CD1 4.49Å; E309-I414 HydrophobicContact CB-CG2 4.02Å; E309-I416 HydrophobicContact CG-CG2 4.13Å
310Y92.5Very high82.4Confident12 Ų1244.9 Ų44.95%0.04726%0.256CS..Hα-helixtrans-58.1-42174.2176.3-99.8000112.2L187 R306 A307 I308 L312 L313 I322 D408 V409 A412 I414L187-Y310 HydrophobicContact CD1-CD1 4.45Å; L187-Y310 HydrophobicContact CD2-CD1 3.98Å; L187-Y310 HydrophobicContact CD2-CE1 3.76Å; R306-Y310 WeakPolarHBondContact O-CB 3.36Å; R306-Y310 PolarHBondContact O-N 2.82Å; A307-Y310 PolarHBondContact O-N 2.86Å; I308-Y310 VanDerWaalsContact C-N 3.3Å; I308-Y310 PolarHBondContact O-N 3.09Å; Y310-L312 VanDerWaalsContact C-N 3.29Å; Y310-L312 PolarHBondContact O-N 3.32Å; Y310-L313 PolarHBondContact O-N 2.88Å; Y310-I322 HydrophobicContact CD1-CD1 4.2Å; Y310-I322 HydrophobicContact CE1-CD1 3.71Å; Y310-D408 WeakPolarHBondContact OH-CB 3.29Å; Y310-V409 HydrophobicContact CD1-CG2 3.76Å; Y310-V409 HydrophobicContact CD2-CB 4.27Å; Y310-V409 HydrophobicContact CD2-CG1 4.47Å; Y310-V409 HydrophobicContact CD2-CG2 3.96Å; Y310-V409 HydrophobicContact CE1-CG2 3.7Å; Y310-V409 HydrophobicContact CE2-CB 4.3Å; Y310-V409 HydrophobicContact CE2-CG2 3.91Å; Y310-V409 HydrophobicContact CG-CG2 3.89Å; Y310-A412 HydrophobicContact CD2-CB 3.92Å; Y310-A412 HydrophobicContact CE2-CB 4.02Å; Y310-I414 HydrophobicContact CD2-CD1 4.06Å; Y310-I414 HydrophobicContact CG-CD1 4.35Å
311C91.1Very high81.5Confident0 Ų046.6 Ų46.60%027%0.266CS..Hα-helixtrans-71.4-20.5175.7-66.30000114A307 I308 E309 H325 P326A307-C311 PolarHBondContact O-N 3.4Å; A307-C311 PolarHBondContact O-SG 3.28Å; I308-C311 CarbonylContact O-C 3.48Å; I308-C311 WeakPolarHBondContact O-CA 3.49Å; I308-C311 WeakPolarHBondContact O-CB 3.3Å; I308-C311 PolarHBondContact O-N 2.77Å; E309-C311 VanDerWaalsContact C-N 3.3Å; E309-C311 PolarHBondContact O-N 2.88Å; C311-H325 PolarHBondContact O-CE1 3.08Å; C311-H325 PolarHBondContact O-ND1 2.74Å; C311-P326 HydrophobicContact CB-CG 4.13Å
312L88.4Confident80.8Confident68 Ų6846.6 Ų46.636%0.35627%0.265SS..Hα-helixtrans-89.7-12.9178.6-67177.1000113.3I308 E309 Y310 Y352I308-L312 HydrophobicContact CG2-CD1 3.84Å; I308-L312 HydrophobicContact CG2-CG 4.24Å; I308-L312 WeakPolarHBondContact O-CG 3.43Å; I308-L312 PolarHBondContact O-N 2.85Å; E309-L312 PolarHBondContact O-N 2.86Å; Y310-L312 VanDerWaalsContact C-N 3.29Å; Y310-L312 PolarHBondContact O-N 3.32Å; L312-Y352 HydrophobicContact CD1-CD1 3.6Å; L312-Y352 HydrophobicContact CD1-CE1 3.97Å
313L83.6Confident80Confident51 Ų5150.6 Ų50.627%0.26728%0.28SS..  trans-61.4139.1175.1-69.1-178000112.3E309 Y310 T315 A412 I414E309-L313 WeakPolarHBondContact O-CG 3.37Å; E309-L313 PolarHBondContact O-N 2.83Å; E309-L313 VanDerWaalsContact O-N 3.12Å; Y310-L313 PolarHBondContact O-N 2.88Å; L313-T315 VanDerWaalsContact C-N 3.32Å; L313-T315 HydrophobicContact CB-CG2 4.43Å; L313-T315 PolarHBondContact O-N 2.97Å; L313-A412 HydrophobicContact CD1-CB 4.14Å; L313-I414 HydrophobicContact CD1-CD1 3.52Å; L313-I414 HydrophobicContact CD1-CG1 3.83Å; L313-I414 HydrophobicContact CG-CD1 4.1Å
314N64.6Low79.5Confident151 Ų15154.9 Ų54.981%0.80730%0.304SS*.  trans-9224.9178-69.2-36.8000113.3
315T58.3Low79.1Confident65 Ų6558.7 Ų58.740%0.39932%0.322SS..  trans-90.3150.2-169.256.10000113.5L313 S317 R318L313-T315 VanDerWaalsContact C-N 3.32Å; L313-T315 HydrophobicContact CB-CG2 4.43Å; L313-T315 PolarHBondContact O-N 2.97Å; T315-S317 PolarHBondContact O-N 2.78Å; T315-S317 VanDerWaalsContact O-N 3.11Å; T315-S317 PolarHBondContact OG1-OG 2.88Å; T315-R318 VanDerWaalsContact O-CB 3.31Å; T315-R318 WeakPolarHBondContact O-CB 3.29Å; T315-R318 PolarHBondContact O-N 3.05Å
316D58.6Low78.9Confident152 Ų15258.9 Ų58.981%0.81332%0.323SS*.G310 helixtrans-55.6-27.6175.6-69.1-38.2000113.3R318 A319D316-R318 PolarHBondContact O-N 2.94Å; D316-A319 WeakPolarHBondContact O-CB 3.45Å; D316-A319 PolarHBondContact O-N 3.42Å
317S56.7Low78.9Confident64 Ų6461.2 Ų61.245%0.44834%0.339SS..G310 helixtrans-59.2-26.1174.860.30000113.1T315T315-S317 PolarHBondContact O-N 2.78Å; T315-S317 VanDerWaalsContact O-N 3.11Å; T315-S317 PolarHBondContact OG1-OG 2.88Å
318R57.8Low79Confident43 Ų4361.3 Ų61.316%0.16234%0.34CS..G310 helixtrans-72.8-32.9172.9178.3-179.5158.8-162.4-8.4111.9T315 D316 S320 V321 I322 R323 H325T315-R318 VanDerWaalsContact O-CB 3.31Å; T315-R318 WeakPolarHBondContact O-CB 3.29Å; T315-R318 PolarHBondContact O-N 3.05Å; D316-R318 PolarHBondContact O-N 2.94Å; R318-S320 PolarHBondContact O-N 3.27Å; R318-V321 PolarHBondContact O-N 2.76Å; R318-V321 VanDerWaalsContact O-N 3.14Å; R318-I322 HydrophobicContact CG-CB 4.23Å; R318-I322 WeakPolarHBondContact CG-O 3.35Å; R318-I322 PolarHBondContact NE-O 3.07Å; R318-R323 PolarHBondContact NH2-O 3.42Å; R318-H325 PolarHBondContact NH1-CE1 3.26Å; R318-H325 PolarHBondContact NH1-ND1 2.98Å; R318-H325 PolarHBondContact NH1-NE2 3.05Å
319A51.4Low79.2Confident86 Ų8661.2 Ų61.271%0.71134%0.339SS*.THydrogen-bonded Turntrans-60.1-12.5-156.300000114.5D316D316-A319 WeakPolarHBondContact O-CB 3.45Å; D316-A319 PolarHBondContact O-N 3.42Å
320S64Low79.4Confident104 Ų10458.6 Ų58.673%0.72733%0.327SS*.THydrogen-bonded Turntrans-96.2-33.617860.50000115.6R318R318-S320 PolarHBondContact O-N 3.27Å
321V79.2Confident79.7Confident35 Ų3558 Ų5821%0.21233%0.325CS..THydrogen-bonded Turntrans-114.4-51.7-167.1-167.90000114.3Q179 V185 R318 R323 V403Q179-V321 PolarHBondContact NE2-O 2.78Å; Q179-V321 PolarHBondContact OE1-O 2.82Å; V185-V321 HydrophobicContact CG1-CG1 4.1Å; V185-V321 HydrophobicContact CG2-CG1 3.66Å; R318-V321 PolarHBondContact O-N 2.76Å; R318-V321 VanDerWaalsContact O-N 3.14Å; V321-R323 PolarHBondContact O-N 3.4Å; V321-V403 HydrophobicContact CG1-CB 4.27Å; V321-V403 HydrophobicContact CG1-CG1 4.11Å
322I83.4Confident79.9Confident7 Ų758 Ų584%0.03633%0.325CS..  trans-92.8105.2-177.3-57.7175000110I177 V185 L187 Y310 R318 N324I177-I322 HydrophobicContact CG1-CD1 4.25Å; V185-I322 HydrophobicContact CG1-CG1 4.33Å; L187-I322 HydrophobicContact CD2-CD1 4.1Å; Y310-I322 HydrophobicContact CD1-CD1 4.2Å; Y310-I322 HydrophobicContact CE1-CD1 3.71Å; R318-I322 HydrophobicContact CG-CB 4.23Å; R318-I322 WeakPolarHBondContact CG-O 3.35Å; R318-I322 PolarHBondContact NE-O 3.07Å; I322-N324 WeakPolarHBondContact CG2-O 3.43Å
323R78.9Confident80.1Confident139 Ų13955 Ų5553%0.52531%0.31SS..  trans-67.9-46.9-172.6-65.9-169.6-70.4-87.53.9113.3Q179 D183 R318 V321Q179-R323 PolarHBondContact O-NH2 2.88Å; D183-R323 IonicContact OD2-CZ 3.81Å; D183-R323 IonicContact OD2-NH1 2.64Å; D183-R323 PolarHBondContact OD2-NH1 2.96Å; D183-R323 IonicContact OD2-NH2 3.27Å; D183-R323 PolarHBondContact OD2-NH2 2.85Å; R318-R323 PolarHBondContact NH2-O 3.42Å; V321-R323 PolarHBondContact O-N 3.4Å
324N85.1Confident80.5Confident99 Ų9954.3 Ų54.353%0.52932%0.316SS..SBendtrans-135.3160.1-173.8-69.4-47.7000112P162 I322P162-N324 HydrophobicContact CG-CB 3.74Å; P162-N324 WeakPolarHBondContact CG-O 3.46Å; I322-N324 WeakPolarHBondContact CG2-O 3.43Å
325H89.5Confident82Confident81 Ų8147.6 Ų47.638%0.37528%0.28SS..  trans-64.5143172.8-60.6-62.7000110.6P162 C311 R318P162-H325 WeakPolarHBondContact CG-O 3.47Å; C311-H325 PolarHBondContact O-CE1 3.08Å; C311-H325 PolarHBondContact O-ND1 2.74Å; R318-H325 PolarHBondContact NH1-CE1 3.26Å; R318-H325 PolarHBondContact NH1-ND1 2.98Å; R318-H325 PolarHBondContact NH1-NE2 3.05Å
326P93.5Very high83.6Confident9 Ų944.5 Ų44.56%0.05826%0.261CS..  trans-62.2137.9177.826.6-34.2000110.5P162 M164 C311 L354P162-P326 WeakPolarHBondContact O-CA 3.46Å; M164-P326 HydrophobicContact CB-CB 4.23Å; C311-P326 HydrophobicContact CB-CG 4.13Å; P326-L354 WeakPolarHBondContact O-CD2 3.31Å
327T95.6Very high85.3Confident63 Ų6338.2 Ų38.239%0.38723%0.229SC..SBendtrans-88.3-17.4178.768.10000113K160 P162K160-T327 PolarHBondContact O-OG1 2.98Å; P162-T327 PolarHBondContact O-N 3.42Å; P162-T327 PolarHBondContact O-OG1 3.22Å
328A98.4Very high87.1Confident1 Ų135.5 Ų35.51%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-155.8159.8-17700000111.1L159 M164 R355 V357L159-A328 HydrophobicContact CD1-CB 3.55Å; M164-A328 PolarHBondContact N-O 2.9Å; A328-R355 CarbonylContact C-O 3.51Å; A328-R355 VanDerWaalsContact CA-O 3.24Å; A328-R355 WeakPolarHBondContact CA-O 3.3Å; A328-R355 HydrophobicContact CB-CB 4.04Å; A328-R355 WeakPolarHBondContact CB-O 3.31Å; A328-V357 HydrophobicContact CB-CG2 4.38Å
329L98.7Very high88.9Confident0 Ų037 Ų370%023%0.226CC..EExtended strand (participates in β ladder)trans-101.5115.6161.2173.462000108.6M164 V304 V331 L345 A349 R355 F356 V357M164-L329 HydrophobicContact CB-CD1 4.17Å; M164-L329 HydrophobicContact CG-CD1 3.91Å; M164-L329 HydrophobicContact SD-CD1 4.07Å; V304-L329 HydrophobicContact CG1-CD1 3.87Å; V304-L329 HydrophobicContact CG1-CD2 3.7Å; V304-L329 HydrophobicContact CG1-CG 4.44Å; L329-V331 HydrophobicContact CG-CG2 4.3Å; L329-L345 HydrophobicContact CD2-CB 4.27Å; L329-L345 HydrophobicContact CD2-CD2 4.29Å; L329-A349 HydrophobicContact CB-CB 4.25Å; L329-A349 HydrophobicContact CD2-CB 4.23Å; L329-R355 PolarHBondContact N-O 3.26Å; L329-F356 HydrophobicContact CD2-CD2 4.15Å; L329-F356 HydrophobicContact CD2-CE2 4.41Å; L329-F356 HydrophobicContact CG-CD2 4.36Å; L329-V357 PolarHBondContact O-N 3.43Å
330V98.7Very high91Very high1 Ų134 Ų341%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-101.3132.9175.9-177.40000109.6A152 L159 Y163 M164 I165 L166 V357A152-V330 HydrophobicContact CB-CB 4.49Å; A152-V330 HydrophobicContact CB-CG1 3.37Å; A152-V330 HydrophobicContact CB-CG2 4.25Å; L159-V330 HydrophobicContact CD1-CG2 4.06Å; L159-V330 HydrophobicContact CD2-CG2 3.75Å; Y163-V330 HydrophobicContact CD2-CB 3.87Å; Y163-V330 HydrophobicContact CD2-CG2 3.29Å; Y163-V330 HydrophobicContact CE2-CB 4.14Å; Y163-V330 HydrophobicContact CE2-CG2 3.76Å; Y163-V330 HydrophobicContact CG-CG2 3.8Å; M164-V330 WeakPolarHBondContact O-CB 3.37Å; M164-V330 PolarHBondContact O-N 3.23Å; I165-V330 CarbonylContact C-O 3.54Å; I165-V330 WeakPolarHBondContact CA-O 3.33Å; I165-V330 HydrophobicContact CD1-CB 3.76Å; I165-V330 HydrophobicContact CD1-CG1 3.49Å; I165-V330 VanDerWaalsContact CD1-CG1 3.49Å; L166-V330 PolarHBondContact N-O 3.07Å; V330-V357 CarbonylContact C-O 3.58Å; V330-V357 WeakPolarHBondContact CA-O 3.15Å; V330-V357 HydrophobicContact CG2-CB 4.21Å
331V98.2Very high92.6Very high0 Ų029.1 Ų29.10%016%0.164CC..EExtended strand (participates in β ladder)trans-123.5128.5175.6-176.20000110.1L166 I168 L329 L345 F356 V357 A358 P359L166-V331 HydrophobicContact CB-CG2 4.3Å; L166-V331 HydrophobicContact CD2-CG1 4.32Å; L166-V331 HydrophobicContact CD2-CG2 4.39Å; L166-V331 WeakPolarHBondContact O-CA 3.2Å; I168-V331 HydrophobicContact CD1-CG1 4.45Å; I168-V331 HydrophobicContact CG1-CG1 4.43Å; L329-V331 HydrophobicContact CG-CG2 4.3Å; V331-L345 HydrophobicContact CG1-CD1 4.22Å; V331-L345 HydrophobicContact CG2-CD1 3.7Å; V331-F356 HydrophobicContact CB-CE2 4.29Å; V331-F356 HydrophobicContact CB-CZ 4.22Å; V331-F356 HydrophobicContact CG2-CD2 4.48Å; V331-F356 HydrophobicContact CG2-CE2 3.48Å; V331-F356 VanDerWaalsContact CG2-CE2 3.48Å; V331-F356 HydrophobicContact CG2-CZ 3.89Å; V331-V357 PolarHBondContact N-O 3.37Å; V331-A358 WeakPolarHBondContact O-CA 3.37Å; V331-P359 VanDerWaalsContact O-CD 3.28Å; V331-P359 WeakPolarHBondContact O-CD 3.48Å
332S94.8Very high93.4Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-139.6175.5173.7-162.50000111.5L166 I168L166-S332 PolarHBondContact O-N 3.41Å; I168-S332 PolarHBondContact N-O 3.04Å
333G92.8Very high94Very high3 Ų330.8 Ų30.83%0.03117%0.173CC..SBendtrans97.3157.8-173.800000113.1I168 V335 G336 S337 C364I168-G333 CarbonylContact O-C 3.5Å; I168-G333 VanDerWaalsContact O-CA 3.29Å; I168-G333 WeakPolarHBondContact O-CA 3.4Å; G333-V335 VanDerWaalsContact C-N 3.32Å; G333-V335 PolarHBondContact O-N 3.33Å; G333-G336 CarbonylContact O-C 3.55Å; G333-G336 VanDerWaalsContact O-CA 3.25Å; G333-G336 WeakPolarHBondContact O-CA 3.28Å; G333-G336 PolarHBondContact O-N 3.31Å; G333-S337 PolarHBondContact O-N 3.3Å; G333-C364 CarbonylContact C-O 3.59Å; G333-C364 WeakPolarHBondContact CA-O 3.33Å; G333-C364 PolarHBondContact N-O 2.92Å
334G92.2Very high94.9Very high38 Ų3824.1 Ų24.139%0.39215%0.148SC..SBendtrans-56.9-40.3-17700000114I168 G336 S337 C364I168-G334 PolarHBondContact O-N 2.75Å; G334-G336 VanDerWaalsContact C-N 3.32Å; G334-S337 WeakPolarHBondContact O-CB 3.35Å; G334-S337 PolarHBondContact O-N 2.96Å; G334-C364 PolarHBondContact N-O 2.99Å
335V95.1Very high95.6Very high10 Ų1019.4 Ų19.46%0.06112%0.123CC..G310 helixtrans-71.7-32.8174.3-176.70000110.7I168 P195 G196 L199 G333 S337 N338 I341I168-V335 HydrophobicContact CB-CB 4.21Å; I168-V335 HydrophobicContact CD1-CB 4.33Å; I168-V335 HydrophobicContact CD1-CG1 4.12Å; I168-V335 HydrophobicContact CG1-CB 4.35Å; I168-V335 WeakPolarHBondContact O-CB 3.44Å; I168-V335 PolarHBondContact O-N 3.02Å; P195-V335 HydrophobicContact CB-CG1 4.22Å; P195-V335 HydrophobicContact CB-CG2 4.32Å; P195-V335 HydrophobicContact CG-CB 4.42Å; P195-V335 HydrophobicContact CG-CG1 4.41Å; P195-V335 HydrophobicContact CG-CG2 4.19Å; G196-V335 VanDerWaalsContact CA-CG2 3.4Å; L199-V335 HydrophobicContact CD1-CG1 4Å; L199-V335 HydrophobicContact CD1-CG2 4.18Å; G333-V335 VanDerWaalsContact C-N 3.32Å; G333-V335 PolarHBondContact O-N 3.33Å; V335-S337 PolarHBondContact O-N 2.81Å; V335-N338 WeakPolarHBondContact O-CB 3.29Å; V335-N338 PolarHBondContact O-N 3.32Å; V335-I341 HydrophobicContact CG1-CD1 3.57Å
336G93.6Very high96Very high0 Ų017.6 Ų17.60%012%0.117CC..G310 helixtrans-60.9-11.4172.500000113.9I168 G333 G334 R342I168-G336 PolarHBondContact O-N 3.07Å; I168-G336 VanDerWaalsContact O-N 3.14Å; G333-G336 CarbonylContact O-C 3.55Å; G333-G336 VanDerWaalsContact O-CA 3.25Å; G333-G336 WeakPolarHBondContact O-CA 3.28Å; G333-G336 PolarHBondContact O-N 3.31Å; G334-G336 VanDerWaalsContact C-N 3.32Å; G336-R342 VanDerWaalsContact O-CG 3.27Å; G336-R342 WeakPolarHBondContact O-CG 3.44Å; G336-R342 PolarHBondContact O-NE 3.1Å
337S93.5Very high96.2Very high19 Ų1919.4 Ų19.413%0.13313%0.125CC..G310 helixtrans-88.6-4.7173.3-58.20000114.5G333 G334 V335 C339 C364G333-S337 PolarHBondContact O-N 3.3Å; G334-S337 WeakPolarHBondContact O-CB 3.35Å; G334-S337 PolarHBondContact O-N 2.96Å; V335-S337 PolarHBondContact O-N 2.81Å; S337-C339 PolarHBondContact O-N 3.4Å; S337-C364 WeakPolarHBondContact OG-CB 3.5Å
338N95.1Very high96.3Very high7 Ų716.4 Ų16.44%0.03711%0.107CC..  trans-67.9125.1175.8-179.9-76.8000110.6Q293 V335 V340 I341 R342Q293-N338 PolarHBondContact NE2-ND2 3.17Å; V335-N338 WeakPolarHBondContact O-CB 3.29Å; V335-N338 PolarHBondContact O-N 3.32Å; N338-V340 PolarHBondContact O-N 3.09Å; N338-V340 WeakPolarHBondContact OD1-CB 3.45Å; N338-V340 PolarHBondContact OD1-N 3.41Å; N338-V340 VanDerWaalsContact OD1-N 3.09Å; N338-I341 HydrophobicContact CB-CB 4.13Å; N338-I341 HydrophobicContact CB-CD1 3.96Å; N338-I341 HydrophobicContact CB-CG1 4.17Å; N338-I341 PolarHBondContact O-N 3.04Å; N338-I341 PolarHBondContact OD1-N 3.15Å; N338-R342 WeakPolarHBondContact O-CG 3.24Å; N338-R342 PolarHBondContact O-N 3.13Å
339C94.6Very high96.3Very high76 Ų7616.3 Ų16.351%0.51411%0.106SC..Hα-helixtrans-65.9-37.1-172.3-67.80000112.7E226 S337 R342 A343E226-C339 VanDerWaalsContact OE1-CB 3.24Å; E226-C339 WeakPolarHBondContact OE1-CB 3.44Å; E226-C339 PolarHBondContact OE1-N 3.22Å; E226-C339 PolarHBondContact OE1-SG 2.9Å; S337-C339 PolarHBondContact O-N 3.4Å; C339-R342 PolarHBondContact O-N 3.29Å; C339-A343 WeakPolarHBondContact O-CB 3.43Å; C339-A343 PolarHBondContact O-N 3.11Å
340V95.8Very high96.3Very high22 Ų2221 Ų2113%0.13313%0.131CC..Hα-helixtrans-68.1-42.7179.4175.60000110.9Q293 N338 A343 G344 I425 F426Q293-V340 HydrophobicContact CG-CB 4.1Å; Q293-V340 HydrophobicContact CG-CG1 4.01Å; Q293-V340 VanDerWaalsContact OE1-CB 3.27Å; N338-V340 PolarHBondContact O-N 3.09Å; N338-V340 WeakPolarHBondContact OD1-CB 3.45Å; N338-V340 PolarHBondContact OD1-N 3.41Å; N338-V340 VanDerWaalsContact OD1-N 3.09Å; V340-A343 PolarHBondContact O-N 2.86Å; V340-G344 PolarHBondContact O-N 3.11Å; V340-I425 HydrophobicContact CG1-CG2 3.95Å; V340-I425 WeakPolarHBondContact O-CG2 3.45Å; V340-F426 HydrophobicContact CG1-CD1 3.36Å; V340-F426 HydrophobicContact CG1-CE1 3.52Å; V340-F426 HydrophobicContact CG1-CG 4.45Å
341I96.8Very high96.2Very high2 Ų226.2 Ų26.21%0.0116%0.155CC..Hα-helixtrans-62.9-45.3173.6-66.7173.5000110.6I168 T297 I300 V335 N338 A343 G344 L345I168-I341 HydrophobicContact CD1-CG2 3.94Å; T297-I341 WeakPolarHBondContact OG1-CG1 3.32Å; I300-I341 HydrophobicContact CD1-CD1 4.18Å; I300-I341 HydrophobicContact CD1-CG2 4.35Å; V335-I341 HydrophobicContact CG1-CD1 3.57Å; N338-I341 HydrophobicContact CB-CB 4.13Å; N338-I341 HydrophobicContact CB-CD1 3.96Å; N338-I341 HydrophobicContact CB-CG1 4.17Å; N338-I341 PolarHBondContact O-N 3.04Å; N338-I341 PolarHBondContact OD1-N 3.15Å; I341-A343 VanDerWaalsContact C-N 3.33Å; I341-A343 PolarHBondContact O-N 3.28Å; I341-G344 PolarHBondContact O-N 3.38Å; I341-L345 HydrophobicContact CG2-CD1 3.78Å; I341-L345 HydrophobicContact CG2-CG 4.42Å; I341-L345 WeakPolarHBondContact O-CB 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.42Å; I341-L345 PolarHBondContact O-N 3.07Å
342R96.6Very high96.1Very high42 Ų4227.9 Ų27.916%0.15816%0.162CC..Hα-helixtrans-59.8-43177.2-74.9-173.6177.5-159.5-1.6111.8G336 N338 C339 L345 T346 F356 P359 C364G336-R342 VanDerWaalsContact O-CG 3.27Å; G336-R342 WeakPolarHBondContact O-CG 3.44Å; G336-R342 PolarHBondContact O-NE 3.1Å; N338-R342 WeakPolarHBondContact O-CG 3.24Å; N338-R342 PolarHBondContact O-N 3.13Å; C339-R342 PolarHBondContact O-N 3.29Å; R342-L345 PolarHBondContact O-N 3.47Å; R342-T346 WeakPolarHBondContact O-CB 3.28Å; R342-T346 PolarHBondContact O-N 3.32Å; R342-T346 PolarHBondContact O-OG1 2.9Å; R342-F356 HydrophobicContact CB-CE1 4.33Å; R342-F356 HydrophobicContact CB-CZ 4.1Å; R342-F356 HydrophobicContact CG-CE1 4.46Å; R342-F356 HydrophobicContact CG-CZ 4.12Å; R342-P359 PolarHBondContact NH1-O 3.42Å; R342-P359 PolarHBondContact NH2-O 3.41Å; R342-C364 PolarHBondContact NH2-SG 3.16Å
343A97Very high96.2Very high34 Ų3435.3 Ų35.328%0.28120%0.202SC..Hα-helixtrans-66.2-44.2-179.500000111.7C339 V340 I341 L345 T346 E347 I425C339-A343 WeakPolarHBondContact O-CB 3.43Å; C339-A343 PolarHBondContact O-N 3.11Å; V340-A343 PolarHBondContact O-N 2.86Å; I341-A343 VanDerWaalsContact C-N 3.33Å; I341-A343 PolarHBondContact O-N 3.28Å; A343-L345 PolarHBondContact O-N 2.97Å; A343-T346 WeakPolarHBondContact O-CB 3.41Å; A343-T346 PolarHBondContact O-N 2.79Å; A343-E347 PolarHBondContact O-N 3.26Å; A343-E347 VanDerWaalsContact O-N 3.11Å; A343-I425 HydrophobicContact CB-CB 4.35Å; A343-I425 HydrophobicContact CB-CD1 4.41Å; A343-I425 HydrophobicContact CB-CG1 3.96Å; A343-I425 HydrophobicContact CB-CG2 3.69Å
344G97.6Very high96.4Very high0 Ų036.1 Ų36.10%021%0.205CC..Hα-helixtrans-60-43.1173.100000113C301 V340 I341 T346 E347 V348C301-G344 VanDerWaalsContact SG-C 3.52Å; V340-G344 PolarHBondContact O-N 3.11Å; I341-G344 PolarHBondContact O-N 3.38Å; G344-T346 VanDerWaalsContact C-N 3.32Å; G344-T346 PolarHBondContact O-N 2.78Å; G344-E347 PolarHBondContact O-N 2.97Å; G344-V348 WeakPolarHBondContact O-CG2 3.5Å; G344-V348 PolarHBondContact O-N 3.37Å; G344-V348 VanDerWaalsContact O-N 3.16Å
345L98.5Very high96.7Very high0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-69.3-29.3176.5-72.4172.6000113.3L166 I300 V304 L329 V331 I341 R342 A343 V348 A349 F356L166-L345 HydrophobicContact CD2-CD1 3.52Å; L166-L345 HydrophobicContact CD2-CD2 4.39Å; I300-L345 HydrophobicContact CG2-CD1 4.06Å; I300-L345 HydrophobicContact CG2-CD2 3.93Å; I300-L345 HydrophobicContact CG2-CG 4.29Å; V304-L345 HydrophobicContact CB-CD2 4Å; V304-L345 HydrophobicContact CG1-CD2 4.15Å; V304-L345 HydrophobicContact CG2-CD2 3.75Å; L329-L345 HydrophobicContact CD2-CB 4.27Å; L329-L345 HydrophobicContact CD2-CD2 4.29Å; V331-L345 HydrophobicContact CG1-CD1 4.22Å; V331-L345 HydrophobicContact CG2-CD1 3.7Å; I341-L345 HydrophobicContact CG2-CD1 3.78Å; I341-L345 HydrophobicContact CG2-CG 4.42Å; I341-L345 WeakPolarHBondContact O-CB 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.42Å; I341-L345 PolarHBondContact O-N 3.07Å; R342-L345 PolarHBondContact O-N 3.47Å; A343-L345 PolarHBondContact O-N 2.97Å; L345-V348 PolarHBondContact O-N 3.35Å; L345-A349 WeakPolarHBondContact O-CB 3.34Å; L345-A349 PolarHBondContact O-N 2.88Å; L345-F356 HydrophobicContact CB-CD2 4.33Å; L345-F356 HydrophobicContact CB-CE2 3.63Å; L345-F356 HydrophobicContact CB-CZ 4.4Å
346T98.1Very high96.9Very high42 Ų4241.3 Ų41.326%0.25821%0.213SC..Hα-helixtrans-65.3-41.7173.6-59.70000110.4R342 A343 G344 A349 N350 F356R342-T346 WeakPolarHBondContact O-CB 3.28Å; R342-T346 PolarHBondContact O-N 3.32Å; R342-T346 PolarHBondContact O-OG1 2.9Å; A343-T346 WeakPolarHBondContact O-CB 3.41Å; A343-T346 PolarHBondContact O-N 2.79Å; G344-T346 VanDerWaalsContact C-N 3.32Å; G344-T346 PolarHBondContact O-N 2.78Å; T346-A349 PolarHBondContact O-N 2.83Å; T346-N350 WeakPolarHBondContact O-CB 3.4Å; T346-N350 PolarHBondContact O-N 3.48Å; T346-N350 PolarHBondContact O-ND2 2.88Å; T346-F356 HydrophobicContact CG2-CB 4.39Å; T346-F356 WeakPolarHBondContact OG1-CD1 2.96Å
347E98.3Very high97.1Very high47 Ų4741.9 Ų41.922%0.2222%0.217CC..Hα-helixtrans-63.7-40.7173.8-71.8-169.4168.700112.6A343 G344 N350 H351 L421 S422 I425A343-E347 PolarHBondContact O-N 3.26Å; A343-E347 VanDerWaalsContact O-N 3.11Å; G344-E347 PolarHBondContact O-N 2.97Å; E347-N350 PolarHBondContact O-N 3.47Å; E347-H351 WeakPolarHBondContact O-CB 3.42Å; E347-H351 PolarHBondContact O-N 3.15Å; E347-L421 HydrophobicContact CB-CD2 4.24Å; E347-L421 WeakPolarHBondContact OE2-CA 3.47Å; E347-S422 WeakPolarHBondContact OE1-CB 3.21Å; E347-S422 PolarHBondContact OE1-OG 3.23Å; E347-S422 PolarHBondContact OE2-N 3.04Å; E347-I425 HydrophobicContact CG-CD1 3.81Å; E347-I425 WeakPolarHBondContact OE1-CD1 3.48Å; E347-I425 VanDerWaalsContact OE2-CD1 3.29Å; E347-I425 WeakPolarHBondContact OE2-CD1 3.31Å
348V98.3Very high97.3Very high0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-60.5-46.3173.8176.80000110.7C301 V304 Q305 I308 G344 L345 H351 Y352 I419 L421C301-V348 HydrophobicContact CB-CG2 3.71Å; V304-V348 HydrophobicContact CG1-CG1 4.06Å; Q305-V348 HydrophobicContact CB-CG1 4.33Å; I308-V348 HydrophobicContact CD1-CG1 3.88Å; G344-V348 WeakPolarHBondContact O-CG2 3.5Å; G344-V348 PolarHBondContact O-N 3.37Å; G344-V348 VanDerWaalsContact O-N 3.16Å; L345-V348 PolarHBondContact O-N 3.35Å; V348-H351 WeakPolarHBondContact O-CB 2.95Å; V348-H351 PolarHBondContact O-N 3.02Å; V348-Y352 HydrophobicContact CG1-CD2 4.46Å; V348-Y352 HydrophobicContact CG1-CE2 4.42Å; V348-Y352 VanDerWaalsContact O-CD2 3.31Å; V348-Y352 WeakPolarHBondContact O-CD2 3.5Å; V348-Y352 PolarHBondContact O-N 3.08Å; V348-I419 HydrophobicContact CB-CD1 4.36Å; V348-I419 HydrophobicContact CG1-CD1 4.16Å; V348-I419 HydrophobicContact CG2-CD1 4.17Å; V348-L421 HydrophobicContact CG2-CD2 4.45Å
349A98.4Very high97.3Very high0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-61.3-46.6177.900000111.8L329 L345 T346 H351 Y352 N353 L354 F356L329-A349 HydrophobicContact CB-CB 4.25Å; L329-A349 HydrophobicContact CD2-CB 4.23Å; L345-A349 WeakPolarHBondContact O-CB 3.34Å; L345-A349 PolarHBondContact O-N 2.88Å; T346-A349 PolarHBondContact O-N 2.83Å; A349-H351 VanDerWaalsContact C-N 3.32Å; A349-H351 PolarHBondContact O-N 3.27Å; A349-Y352 CarbonylContact O-C 3.56Å; A349-Y352 PolarHBondContact O-N 2.89Å; A349-Y352 VanDerWaalsContact O-N 3.12Å; A349-N353 PolarHBondContact O-N 3.25Å; A349-N353 VanDerWaalsContact O-N 3.16Å; A349-L354 CarbonylContact C-O 3.59Å; A349-L354 HydrophobicContact CB-CB 4.26Å; A349-L354 PolarHBondContact O-N 2.9Å; A349-F356 HydrophobicContact CB-CB 3.98Å; A349-F356 HydrophobicContact CB-CD2 4.4Å
350N98Very high97.3Very high98 Ų9841 Ų4152%0.52421%0.212SC..Hα-helixtrans-61.1-39.2178.8-71.7-17.8000112.2T346 E347 Y352 N353T346-N350 WeakPolarHBondContact O-CB 3.4Å; T346-N350 PolarHBondContact O-N 3.48Å; T346-N350 PolarHBondContact O-ND2 2.88Å; E347-N350 PolarHBondContact O-N 3.47Å; N350-Y352 PolarHBondContact O-N 3.16Å; N350-N353 PolarHBondContact O-N 2.86Å
351H97.6Very high97Very high111 Ų11143.5 Ų43.551%0.51423%0.229SC..Hα-helixtrans-56.8-34.7176.4-175.283.8000112.6E347 V348 A349 I419E347-H351 WeakPolarHBondContact O-CB 3.42Å; E347-H351 PolarHBondContact O-N 3.15Å; V348-H351 WeakPolarHBondContact O-CB 2.95Å; V348-H351 PolarHBondContact O-N 3.02Å; A349-H351 VanDerWaalsContact C-N 3.32Å; A349-H351 PolarHBondContact O-N 3.27Å; H351-I419 HydrophobicContact CB-CD1 3.8Å
352Y96.2Very high96.8Very high34 Ų3447.6 Ų47.613%0.13326%0.258CS..THydrogen-bonded Turntrans-98.611.1177.4-66.9-77.4000114.1Q305 I308 E309 L312 V348 A349 N350 L354 I419Q305-Y352 HydrophobicContact CG-CE2 3.91Å; Q305-Y352 WeakPolarHBondContact CG-OH 3.26Å; Q305-Y352 PolarHBondContact NE2-OH 3.3Å; I308-Y352 HydrophobicContact CB-CD2 4.22Å; I308-Y352 HydrophobicContact CB-CE2 4.32Å; I308-Y352 HydrophobicContact CB-CG 4.47Å; I308-Y352 HydrophobicContact CD1-CD2 3.8Å; I308-Y352 HydrophobicContact CD1-CE2 4.28Å; I308-Y352 HydrophobicContact CG2-CD1 3.7Å; I308-Y352 HydrophobicContact CG2-CD2 3.72Å; I308-Y352 HydrophobicContact CG2-CE1 4.11Å; I308-Y352 HydrophobicContact CG2-CE2 4.14Å; I308-Y352 HydrophobicContact CG2-CG 3.5Å; E309-Y352 VanDerWaalsContact CD-OH 3.23Å; E309-Y352 HydrophobicContact CG-CE1 4.25Å; E309-Y352 VanDerWaalsContact CG-OH 3.29Å; E309-Y352 WeakPolarHBondContact CG-OH 3.42Å; E309-Y352 VanDerWaalsContact OE1-CE1 3.23Å; E309-Y352 WeakPolarHBondContact OE1-CE1 3.31Å; E309-Y352 VanDerWaalsContact OE1-CZ 3.28Å; E309-Y352 PolarHBondContact OE1-OH 2.98Å; L312-Y352 HydrophobicContact CD1-CD1 3.6Å; L312-Y352 HydrophobicContact CD1-CE1 3.97Å; V348-Y352 HydrophobicContact CG1-CD2 4.46Å; V348-Y352 HydrophobicContact CG1-CE2 4.42Å; V348-Y352 VanDerWaalsContact O-CD2 3.31Å; V348-Y352 WeakPolarHBondContact O-CD2 3.5Å; V348-Y352 PolarHBondContact O-N 3.08Å; A349-Y352 CarbonylContact O-C 3.56Å; A349-Y352 PolarHBondContact O-N 2.89Å; A349-Y352 VanDerWaalsContact O-N 3.12Å; N350-Y352 PolarHBondContact O-N 3.16Å; Y352-L354 PolarHBondContact O-N 3.2Å; Y352-I419 HydrophobicContact CE2-CD1 3.91Å
353N96.7Very high96.7Very high156 Ų15646.4 Ų46.483%0.83425%0.254SS*.THydrogen-bonded Turntrans5530.5-174.6-54.2-70.8000113.6A349 N350A349-N353 PolarHBondContact O-N 3.25Å; A349-N353 VanDerWaalsContact O-N 3.16Å; N350-N353 PolarHBondContact O-N 2.86Å
354L97.5Very high96.5Very high21 Ų2144.8 Ų44.811%0.1124%0.241CC..PPolyproline II helixtrans-89.9143.5174-65.9178.5000110.2I308 P326 A349 Y352 F356I308-L354 HydrophobicContact CD1-CD1 3.86Å; I308-L354 HydrophobicContact CG1-CD1 4Å; I308-L354 HydrophobicContact CG2-CD1 4.09Å; P326-L354 WeakPolarHBondContact O-CD2 3.31Å; A349-L354 CarbonylContact C-O 3.59Å; A349-L354 HydrophobicContact CB-CB 4.26Å; A349-L354 PolarHBondContact O-N 2.9Å; Y352-L354 PolarHBondContact O-N 3.2Å; L354-F356 PolarHBondContact O-N 3.12Å
355R97.8Very high96.2Very high106 Ų10647.3 Ų47.340%0.426%0.257SS..EExtended strand (participates in β ladder)trans-66.1131.7166.4-72.6177.260.6177.1-0.6109.5D156 A328 L329 V357D156-R355 VanDerWaalsContact CG-NH2 3.34Å; D156-R355 IonicContact OD1-NH2 3.66Å; D156-R355 PolarHBondContact OD1-NH2 3.45Å; D156-R355 IonicContact OD2-CZ 3.92Å; D156-R355 IonicContact OD2-NH2 3.66Å; D156-R355 PolarHBondContact OD2-NH2 2.91Å; A328-R355 CarbonylContact C-O 3.51Å; A328-R355 VanDerWaalsContact CA-O 3.24Å; A328-R355 WeakPolarHBondContact CA-O 3.3Å; A328-R355 HydrophobicContact CB-CB 4.04Å; A328-R355 WeakPolarHBondContact CB-O 3.31Å; L329-R355 PolarHBondContact N-O 3.26Å; R355-V357 HydrophobicContact CB-CG2 4.48Å
356F98.4Very high96.1Very high51 Ų5148.3 Ų48.322%0.22426%0.262CS..EExtended strand (participates in β ladder)trans-89.7126.1166.4-177.3-97.8000109.7L329 V331 R342 L345 T346 A349 L354 A358L329-F356 HydrophobicContact CD2-CD2 4.15Å; L329-F356 HydrophobicContact CD2-CE2 4.41Å; L329-F356 HydrophobicContact CG-CD2 4.36Å; V331-F356 HydrophobicContact CB-CE2 4.29Å; V331-F356 HydrophobicContact CB-CZ 4.22Å; V331-F356 HydrophobicContact CG2-CD2 4.48Å; V331-F356 HydrophobicContact CG2-CE2 3.48Å; V331-F356 VanDerWaalsContact CG2-CE2 3.48Å; V331-F356 HydrophobicContact CG2-CZ 3.89Å; R342-F356 HydrophobicContact CB-CE1 4.33Å; R342-F356 HydrophobicContact CB-CZ 4.1Å; R342-F356 HydrophobicContact CG-CE1 4.46Å; R342-F356 HydrophobicContact CG-CZ 4.12Å; L345-F356 HydrophobicContact CB-CD2 4.33Å; L345-F356 HydrophobicContact CB-CE2 3.63Å; L345-F356 HydrophobicContact CB-CZ 4.4Å; T346-F356 HydrophobicContact CG2-CB 4.39Å; T346-F356 WeakPolarHBondContact OG1-CD1 2.96Å; A349-F356 HydrophobicContact CB-CB 3.98Å; A349-F356 HydrophobicContact CB-CD2 4.4Å; L354-F356 PolarHBondContact O-N 3.12Å; F356-A358 HydrophobicContact CE1-CB 3.88Å; F356-A358 HydrophobicContact CZ-CB 4.15Å
357V98.3Very high96Very high11 Ų1146.7 Ų46.77%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-129.4129.2179.3-178.60000109A152 D156 L159 A328 L329 V330 V331 R355A152-V357 HydrophobicContact CB-CG1 4.1Å; D156-V357 HydrophobicContact CB-CG1 4.21Å; L159-V357 HydrophobicContact CD1-CG2 4.41Å; A328-V357 HydrophobicContact CB-CG2 4.38Å; L329-V357 PolarHBondContact O-N 3.43Å; V330-V357 CarbonylContact C-O 3.58Å; V330-V357 WeakPolarHBondContact CA-O 3.15Å; V330-V357 HydrophobicContact CG2-CB 4.21Å; V331-V357 PolarHBondContact N-O 3.37Å; R355-V357 HydrophobicContact CB-CG2 4.48Å
358A96.9Very high96.1Very high26 Ų2644.5 Ų44.522%0.21524%0.242CC..  trans-141.7127.6172.400000108.8V331 F356V331-A358 WeakPolarHBondContact O-CA 3.37Å; F356-A358 HydrophobicContact CE1-CB 3.88Å; F356-A358 HydrophobicContact CZ-CB 4.15Å
359P95.4Very high96.1Very high0 Ų045.1 Ų45.10%025%0.245CC..  trans-54.5157172.2-23.934000111.4T151 A152 T155 V331 R342 L363 C364T151-P359 HydrophobicContact CG2-CB 4.12Å; T151-P359 HydrophobicContact CG2-CG 3.98Å; A152-P359 HydrophobicContact CB-CG 4.37Å; T155-P359 HydrophobicContact CG2-CB 4.26Å; V331-P359 VanDerWaalsContact O-CD 3.28Å; V331-P359 WeakPolarHBondContact O-CD 3.48Å; R342-P359 PolarHBondContact NH1-O 3.42Å; R342-P359 PolarHBondContact NH2-O 3.41Å; P359-L363 HydrophobicContact CB-CB 4.06Å; P359-C364 PolarHBondContact O-SG 3.26Å; P359-C364 VanDerWaalsContact O-SG 3.33Å
360P94.4Very high96.1Very high57 Ų5745.1 Ų45.137%0.3725%0.245SC..  trans-58.6149.1171.727.6-32.9000109.3S362 L363 C364P360-S362 PolarHBondContact O-N 2.99Å; P360-L363 HydrophobicContact CG-CB 4.18Å; P360-L363 HydrophobicContact CG-CD1 3.82Å; P360-L363 HydrophobicContact CG-CG 3.97Å; P360-L363 PolarHBondContact O-N 3.26Å; P360-C364 PolarHBondContact O-N 3.03Å
361P91.2Very high96.1Very high75 Ų7540.5 Ų40.549%0.48722%0.22SC..G310 helixtrans-51.3-35-173.9-31.136.6000114.9L363 C364P361-L363 PolarHBondContact O-N 2.8Å; P361-C364 PolarHBondContact O-N 3.1Å; P361-C364 VanDerWaalsContact O-N 3.12Å
362S91.6Very high96.2Very high88 Ų8835.2 Ų35.262%0.61520%0.196SC*.G310 helixtrans-64.9-18.6177.358.30000114.6P360P360-S362 PolarHBondContact O-N 2.99Å
363L95.7Very high96.3Very high17 Ų1734.5 Ų34.59%0.08919%0.193CC..G310 helixtrans-106.3-0.3176.1-62.7-177.5000112.8T151 F154 T155 P359 P360 P361 I369T151-L363 HydrophobicContact CG2-CB 4.03Å; F154-L363 HydrophobicContact CD1-CD1 4.13Å; F154-L363 HydrophobicContact CE1-CD1 4.27Å; T155-L363 HydrophobicContact CG2-CD1 3.64Å; P359-L363 HydrophobicContact CB-CB 4.06Å; P360-L363 HydrophobicContact CG-CB 4.18Å; P360-L363 HydrophobicContact CG-CD1 3.82Å; P360-L363 HydrophobicContact CG-CG 3.97Å; P360-L363 PolarHBondContact O-N 3.26Å; P361-L363 PolarHBondContact O-N 2.8Å; L363-I369 HydrophobicContact CD2-CB 4.29Å; L363-I369 HydrophobicContact CD2-CD1 3.68Å; L363-I369 HydrophobicContact CD2-CG2 4.32Å
364C92.7Very high96.4Very high0 Ų027.1 Ų27.10%015%0.153CC..SBendtrans-89.4-10.6174.3-72.40000113.2G333 G334 S337 R342 P359 P360 P361G333-C364 CarbonylContact C-O 3.59Å; G333-C364 WeakPolarHBondContact CA-O 3.33Å; G333-C364 PolarHBondContact N-O 2.92Å; G334-C364 PolarHBondContact N-O 2.99Å; S337-C364 WeakPolarHBondContact OG-CB 3.5Å; R342-C364 PolarHBondContact NH2-SG 3.16Å; P359-C364 PolarHBondContact O-SG 3.26Å; P359-C364 VanDerWaalsContact O-SG 3.33Å; P360-C364 PolarHBondContact O-N 3.03Å; P361-C364 PolarHBondContact O-N 3.1Å; P361-C364 VanDerWaalsContact O-N 3.12Å
365T90.6Very high96.4Very high54 Ų5426.1 Ų26.133%0.33115%0.148SC..SBendtrans-98.1172.1172.458.20000110.7N367T365-N367 PolarHBondContact O-N 3.45Å; T365-N367 PolarHBondContact O-ND2 3.42Å
366D95.3Very high96.4Very high21 Ų2121 Ų2111%0.11213%0.129CC..SBendtrans-69128.1-176.4-59.8-5000110E40 D45 L62 H144 H148 M370E40-D366 HydrophobicContact CG-CB 4.1Å; D45-D366 HydrophobicContact CB-CB 4.01Å; L62-D366 WeakPolarHBondContact CD1-O 3.43Å; H144-D366 IonicContact CE1-OD1 3.72Å; H144-D366 PolarHBondContact CE1-OD1 3.39Å; H144-D366 IonicContact CE1-OD2 3.2Å; H144-D366 PolarHBondContact CE1-OD2 3.14Å; H144-D366 IonicContact NE2-OD1 3.61Å; H144-D366 IonicContact NE2-OD2 3.66Å; H148-D366 IonicContact CD2-OD1 3.32Å; H148-D366 IonicContact CE1-OD1 3.52Å; H148-D366 PolarHBondContact CE1-OD1 2.89Å; H148-D366 IonicContact NE2-OD1 2.78Å; H148-D366 PolarHBondContact NE2-OD1 3.23Å; D366-M370 HydrophobicContact CB-CE 4.39Å
367N97.7Very high96.3Very high7 Ų719.6 Ų19.64%0.03712%0.124CC..  trans-155.8163.1-175.265.174.3000111.9T365 I369 M370T365-N367 PolarHBondContact O-N 3.45Å; T365-N367 PolarHBondContact O-ND2 3.42Å; N367-I369 VanDerWaalsContact C-N 3.28Å; N367-I369 PolarHBondContact O-N 2.86Å; N367-I369 WeakPolarHBondContact OD1-CA 3.41Å; N367-I369 WeakPolarHBondContact OD1-CB 3.32Å; N367-I369 PolarHBondContact OD1-N 2.84Å; N367-M370 VanDerWaalsContact O-CG 3.27Å; N367-M370 WeakPolarHBondContact O-CG 3.1Å; N367-M370 PolarHBondContact OD1-N 2.91Å
368G98.6Very high96.3Very high2 Ų219.2 Ų19.22%0.02112%0.121CC..Hα-helixtrans-70.2-22.6178.300000114.1A49 I371 A372A49-G368 VanDerWaalsContact CB-C 3.4Å; G368-I371 PolarHBondContact O-N 3.37Å; G368-A372 WeakPolarHBondContact O-CB 2.89Å; G368-A372 PolarHBondContact O-N 2.87Å
369I98.7Very high96.2Very high13 Ų1318.5 Ų18.57%0.06711%0.114CC..Hα-helixtrans-66.9-45-176.4-60.7169.5000110.1A49 I51 L57 D60 F154 L363 N367 I371 A372 W373A49-I369 HydrophobicContact CB-CB 4.25Å; A49-I369 HydrophobicContact CB-CG1 3.63Å; I51-I369 HydrophobicContact CD1-CG2 3.95Å; L57-I369 HydrophobicContact CD1-CD1 4.37Å; L57-I369 HydrophobicContact CD1-CG1 4.01Å; L57-I369 HydrophobicContact CD2-CD1 3.81Å; L57-I369 HydrophobicContact CD2-CG1 4.36Å; D60-I369 HydrophobicContact CB-CD1 4.07Å; D60-I369 HydrophobicContact CB-CG1 3.97Å; F154-I369 HydrophobicContact CD1-CG2 4.07Å; F154-I369 HydrophobicContact CE1-CG2 3.78Å; F154-I369 HydrophobicContact CZ-CG2 4.09Å; L363-I369 HydrophobicContact CD2-CB 4.29Å; L363-I369 HydrophobicContact CD2-CD1 3.68Å; L363-I369 HydrophobicContact CD2-CG2 4.32Å; N367-I369 VanDerWaalsContact C-N 3.28Å; N367-I369 PolarHBondContact O-N 2.86Å; N367-I369 WeakPolarHBondContact OD1-CA 3.41Å; N367-I369 WeakPolarHBondContact OD1-CB 3.32Å; N367-I369 PolarHBondContact OD1-N 2.84Å; I369-I371 VanDerWaalsContact C-N 3.26Å; I369-I371 PolarHBondContact O-N 3.49Å; I369-A372 PolarHBondContact O-N 3.47Å; I369-W373 WeakPolarHBondContact O-CB 3.43Å; I369-W373 PolarHBondContact O-N 3.3Å
370M98.3Very high96.1Very high0 Ų022.8 Ų22.80%013%0.132CC..Hα-helixtrans-62-35.2178.668.9178.2-166.200112.4E40 H144 A147 H148 T151 D366 N367 N374E40-M370 HydrophobicContact CG-CE 4Å; E40-M370 WeakPolarHBondContact OE2-CE 3.4Å; H144-M370 WeakPolarHBondContact ND1-CE 3.44Å; A147-M370 HydrophobicContact CB-CB 4.07Å; A147-M370 HydrophobicContact CB-CG 3.93Å; A147-M370 HydrophobicContact CB-SD 4.23Å; H148-M370 VanDerWaalsContact CE1-SD 3.6Å; T151-M370 WeakPolarHBondContact OG1-CB 3.22Å; D366-M370 HydrophobicContact CB-CE 4.39Å; N367-M370 VanDerWaalsContact O-CG 3.27Å; N367-M370 WeakPolarHBondContact O-CG 3.1Å; N367-M370 PolarHBondContact OD1-N 2.91Å; M370-N374 WeakPolarHBondContact O-CB 3.34Å; M370-N374 PolarHBondContact O-N 3.46Å
371I98.9Very high96Very high0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-73-46.4178.7-55.6-51.1000110.8E40 A110 T112 I142 A147 G368 I369 W373 N374 G375E40-I371 HydrophobicContact CB-CG1 3.81Å; E40-I371 HydrophobicContact CG-CG1 4.44Å; E40-I371 WeakPolarHBondContact OE2-CD1 3.4Å; A110-I371 HydrophobicContact CB-CG2 3.95Å; A110-I371 WeakPolarHBondContact CB-O 3.42Å; T112-I371 WeakPolarHBondContact OG1-CD1 3.4Å; T112-I371 WeakPolarHBondContact OG1-CG1 3.45Å; I142-I371 HydrophobicContact CB-CD1 4.35Å; I142-I371 HydrophobicContact CB-CG2 4.08Å; I142-I371 HydrophobicContact CG1-CG2 3.83Å; I142-I371 HydrophobicContact CG2-CD1 3.68Å; I142-I371 HydrophobicContact CG2-CG2 4.35Å; A147-I371 HydrophobicContact CB-CD1 3.64Å; G368-I371 PolarHBondContact O-N 3.37Å; I369-I371 VanDerWaalsContact C-N 3.26Å; I369-I371 PolarHBondContact O-N 3.49Å; I371-W373 VanDerWaalsContact C-N 3.3Å; I371-W373 PolarHBondContact O-N 2.93Å; I371-N374 PolarHBondContact O-N 3.38Å; I371-G375 PolarHBondContact O-N 2.66Å
372A98.8Very high96Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-61-42.4176.200000110.9A49 I51 G368 I369 G375 V376A49-A372 HydrophobicContact CB-CB 4.23Å; I51-A372 HydrophobicContact CB-CB 4.16Å; I51-A372 HydrophobicContact CD1-CB 3.64Å; I51-A372 HydrophobicContact CG1-CB 3.69Å; G368-A372 WeakPolarHBondContact O-CB 2.89Å; G368-A372 PolarHBondContact O-N 2.87Å; I369-A372 PolarHBondContact O-N 3.47Å; A372-G375 CarbonylContact O-C 3.5Å; A372-G375 PolarHBondContact O-N 3.46Å; A372-V376 WeakPolarHBondContact O-CG2 3.49Å; A372-V376 PolarHBondContact O-N 2.82Å
373W98.4Very high96.2Very high19 Ų1923.2 Ų23.27%0.07212%0.116CC..Hα-helixtrans-67.3-45.2-179.3176.6-121.4000112.4I51 L150 L153 F154 I369 I371 G375 V376 L377I51-W373 HydrophobicContact CD1-CB 3.98Å; L150-W373 PolarHBondContact O-NE1 2.78Å; L150-W373 VanDerWaalsContact O-NE1 3.1Å; L153-W373 HydrophobicContact CB-CZ2 4.19Å; F154-W373 HydrophobicContact CB-CD2 3.97Å; F154-W373 HydrophobicContact CB-CG 3.86Å; F154-W373 HydrophobicContact CB-CZ2 4.49Å; F154-W373 AromaticContact CD2-CD2 3.88Å; F154-W373 HydrophobicContact CD2-CD2 3.88Å; F154-W373 AromaticContact CD2-CE3 3.95Å; F154-W373 HydrophobicContact CD2-CE3 3.95Å; F154-W373 HydrophobicContact CD2-CG 4.15Å; F154-W373 HydrophobicContact CD2-CZ3 4.48Å; F154-W373 HydrophobicContact CG-CD2 4.37Å; F154-W373 HydrophobicContact CG-CG 4.31Å; I369-W373 WeakPolarHBondContact O-CB 3.43Å; I369-W373 PolarHBondContact O-N 3.3Å; I371-W373 VanDerWaalsContact C-N 3.3Å; I371-W373 PolarHBondContact O-N 2.93Å; W373-G375 VanDerWaalsContact C-N 3.26Å; W373-G375 PolarHBondContact O-N 2.93Å; W373-V376 HydrophobicContact CE3-CB 4.07Å; W373-V376 HydrophobicContact CE3-CG1 4.04Å; W373-V376 HydrophobicContact CZ3-CB 4.37Å; W373-V376 HydrophobicContact CZ3-CG1 3.82Å; W373-V376 WeakPolarHBondContact O-CB 3.31Å; W373-V376 PolarHBondContact O-N 2.62Å; W373-V376 VanDerWaalsContact O-N 3.13Å; W373-L377 HydrophobicContact CD2-CD1 4.3Å; W373-L377 HydrophobicContact CD2-CG 4.19Å; W373-L377 HydrophobicContact CG-CD1 4.48Å; W373-L377 HydrophobicContact CH2-CD2 3.92Å; W373-L377 HydrophobicContact CH2-CG 4.36Å; W373-L377 HydrophobicContact CZ2-CD1 4.08Å; W373-L377 HydrophobicContact CZ2-CD2 3.64Å; W373-L377 HydrophobicContact CZ2-CG 3.94Å; W373-L377 WeakPolarHBondContact O-CG 3.22Å; W373-L377 PolarHBondContact O-N 2.94Å
374N98.6Very high96.2Very high1 Ų127.6 Ų27.61%0.00515%0.148CC..Hα-helixtrans-59-42.8172.7-167.7-7.2000110.4I142 A147 L150 M370 I371 V376 L377 L378I142-N374 HydrophobicContact CD1-CB 4.09Å; I142-N374 HydrophobicContact CG2-CB 4.1Å; I142-N374 WeakPolarHBondContact CG2-ND2 3.47Å; A147-N374 HydrophobicContact CB-CB 4.23Å; A147-N374 PolarHBondContact N-ND2 2.92Å; L150-N374 HydrophobicContact CD1-CB 4.36Å; L150-N374 WeakPolarHBondContact CD1-OD1 3.34Å; M370-N374 WeakPolarHBondContact O-CB 3.34Å; M370-N374 PolarHBondContact O-N 3.46Å; I371-N374 PolarHBondContact O-N 3.38Å; N374-V376 PolarHBondContact O-N 2.66Å; N374-L377 PolarHBondContact O-N 3.04Å; N374-L377 VanDerWaalsContact O-N 3.17Å; N374-L378 WeakPolarHBondContact O-CG 3.4Å; N374-L378 PolarHBondContact O-N 2.92Å
375G98.5Very high96.3Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-57.4-42.2172.700000114I140 I371 A372 W373 L378 Q379I140-G375 WeakPolarHBondContact CD1-O 3.36Å; I371-G375 PolarHBondContact O-N 2.66Å; A372-G375 CarbonylContact O-C 3.5Å; A372-G375 PolarHBondContact O-N 3.46Å; W373-G375 VanDerWaalsContact C-N 3.26Å; W373-G375 PolarHBondContact O-N 2.93Å; G375-L378 PolarHBondContact O-N 3.2Å; G375-Q379 VanDerWaalsContact O-CB 3.24Å; G375-Q379 WeakPolarHBondContact O-CB 3.13Å; G375-Q379 PolarHBondContact O-N 2.98Å
376V97.7Very high96.6Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-62.9-43.1174.7167.30000111.4V36 I51 A372 W373 N374 Q379 K380V36-V376 HydrophobicContact CB-CG2 3.96Å; V36-V376 HydrophobicContact CG2-CG2 3.63Å; I51-V376 HydrophobicContact CB-CG2 4.09Å; I51-V376 HydrophobicContact CG2-CG2 3.9Å; A372-V376 WeakPolarHBondContact O-CG2 3.49Å; A372-V376 PolarHBondContact O-N 2.82Å; W373-V376 HydrophobicContact CE3-CB 4.07Å; W373-V376 HydrophobicContact CE3-CG1 4.04Å; W373-V376 HydrophobicContact CZ3-CB 4.37Å; W373-V376 HydrophobicContact CZ3-CG1 3.82Å; W373-V376 WeakPolarHBondContact O-CB 3.31Å; W373-V376 PolarHBondContact O-N 2.62Å; W373-V376 VanDerWaalsContact O-N 3.13Å; N374-V376 PolarHBondContact O-N 2.66Å; V376-Q379 PolarHBondContact O-N 3.33Å; V376-K380 HydrophobicContact CG1-CD 4.29Å; V376-K380 WeakPolarHBondContact O-CG 3.24Å; V376-K380 PolarHBondContact O-N 3.49Å
377L97.1Very high96.7Very high21 Ų2128.5 Ų28.511%0.1115%0.148CC..Hα-helixtrans-63.4-46.8178.3-70.8173.3000111.6L150 L153 L181 W373 N374 Q379 K380 E381L150-L377 HydrophobicContact CB-CD1 3.99Å; L150-L377 HydrophobicContact CD1-CD1 4.05Å; L150-L377 HydrophobicContact CD2-CD1 4.22Å; L150-L377 HydrophobicContact CG-CD1 4.32Å; L153-L377 HydrophobicContact CD1-CD1 4.28Å; L181-L377 HydrophobicContact CD1-CB 3.8Å; L181-L377 WeakPolarHBondContact CD1-O 3.44Å; L181-L377 HydrophobicContact CD2-CB 3.91Å; L181-L377 HydrophobicContact CD2-CD1 3.95Å; L181-L377 HydrophobicContact CD2-CG 4.37Å; W373-L377 HydrophobicContact CD2-CD1 4.3Å; W373-L377 HydrophobicContact CD2-CG 4.19Å; W373-L377 HydrophobicContact CG-CD1 4.48Å; W373-L377 HydrophobicContact CH2-CD2 3.92Å; W373-L377 HydrophobicContact CH2-CG 4.36Å; W373-L377 HydrophobicContact CZ2-CD1 4.08Å; W373-L377 HydrophobicContact CZ2-CD2 3.64Å; W373-L377 HydrophobicContact CZ2-CG 3.94Å; W373-L377 WeakPolarHBondContact O-CG 3.22Å; W373-L377 PolarHBondContact O-N 2.94Å; N374-L377 PolarHBondContact O-N 3.04Å; N374-L377 VanDerWaalsContact O-N 3.17Å; L377-Q379 VanDerWaalsContact C-N 3.32Å; L377-Q379 PolarHBondContact O-N 3.29Å; L377-K380 PolarHBondContact O-N 2.92Å; L377-E381 PolarHBondContact O-N 3.39Å
378L97.2Very high96.5Very high2 Ų230.8 Ų30.81%0.0116%0.158CC..Hα-helixtrans-64.3-36.8176.4-67.6175.9000112.4I140 I142 E182 N374 G375 E381 N382 S383I140-L378 HydrophobicContact CG2-CB 4.21Å; I140-L378 HydrophobicContact CG2-CD1 3.66Å; I142-L378 HydrophobicContact CD1-CD1 3.64Å; E182-L378 HydrophobicContact CG-CD2 3.58Å; E182-L378 WeakPolarHBondContact OE2-CD2 3.28Å; N374-L378 WeakPolarHBondContact O-CG 3.4Å; N374-L378 PolarHBondContact O-N 2.92Å; G375-L378 PolarHBondContact O-N 3.2Å; L378-E381 PolarHBondContact O-N 3.22Å; L378-N382 PolarHBondContact O-N 3.5Å; L378-S383 WeakPolarHBondContact O-CB 3.3Å; L378-S383 PolarHBondContact O-N 2.84Å
379Q94.9Very high96.4Very high12 Ų1235 Ų356%0.05618%0.18CC..Hα-helixtrans-63.2-44.7174.8-176.5-78.2-42.700111.8T53 F108 I140 G375 V376 L377 E381 N382T53-Q379 HydrophobicContact CG2-CG 4.34Å; F108-Q379 HydrophobicContact CD2-CG 4.08Å; F108-Q379 HydrophobicContact CE1-CG 4.24Å; F108-Q379 HydrophobicContact CE2-CG 3.58Å; F108-Q379 HydrophobicContact CZ-CG 3.68Å; I140-Q379 HydrophobicContact CD1-CB 4.39Å; G375-Q379 VanDerWaalsContact O-CB 3.24Å; G375-Q379 WeakPolarHBondContact O-CB 3.13Å; G375-Q379 PolarHBondContact O-N 2.98Å; V376-Q379 PolarHBondContact O-N 3.33Å; L377-Q379 VanDerWaalsContact C-N 3.32Å; L377-Q379 PolarHBondContact O-N 3.29Å; Q379-E381 VanDerWaalsContact C-N 3.26Å; Q379-E381 PolarHBondContact O-N 3.43Å; Q379-N382 PolarHBondContact O-N 3.41Å
380K92.9Very high96.2Very high90 Ų9035.7 Ų35.739%0.39118%0.184SC..Hα-helixtrans-58.4-38.2179.3-78.2175.3179.81780112.6T53 V376 L377 N382T53-K380 WeakPolarHBondContact O-CE 3.29Å; T53-K380 PolarHBondContact O-NZ 3.12Å; T53-K380 VanDerWaalsContact O-NZ 3.17Å; V376-K380 HydrophobicContact CG1-CD 4.29Å; V376-K380 WeakPolarHBondContact O-CG 3.24Å; V376-K380 PolarHBondContact O-N 3.49Å; L377-K380 PolarHBondContact O-N 2.92Å; K380-N382 VanDerWaalsContact C-N 3.3Å
381E92.5Very high96Very high136 Ų13639.9 Ų39.964%0.63621%0.213SC*.THydrogen-bonded Turntrans-86.55.3178-63.2-5414300113.8L181 L377 L378 Q379 S383L181-E381 HydrophobicContact CD1-CB 4.4Å; L181-E381 HydrophobicContact CD1-CG 3.54Å; L377-E381 PolarHBondContact O-N 3.39Å; L378-E381 PolarHBondContact O-N 3.22Å; Q379-E381 VanDerWaalsContact C-N 3.26Å; Q379-E381 PolarHBondContact O-N 3.43Å; E381-S383 PolarHBondContact O-N 2.89Å
382N91.9Very high95.8Very high86 Ų8643.3 Ų43.346%0.4624%0.237SC..THydrogen-bonded Turntrans49.245.4-172.9-57.1-81.7000112.2C29 L378 Q379 K380C29-N382 WeakPolarHBondContact CB-OD1 3.3Å; C29-N382 PolarHBondContact SG-OD1 3.06Å; L378-N382 PolarHBondContact O-N 3.5Å; Q379-N382 PolarHBondContact O-N 3.41Å; K380-N382 VanDerWaalsContact C-N 3.3Å
383S95.2Very high95.7Very high6 Ų643.5 Ų43.54%0.04224%0.238CC..  trans-55.2142.6-176.71760000111.7E182 L378 E381 R385 I386E182-S383 PolarHBondContact OE1-OG 3.07Å; E182-S383 WeakPolarHBondContact OE2-CB 3.42Å; E182-S383 PolarHBondContact OE2-OG 2.93Å; L378-S383 WeakPolarHBondContact O-CB 3.3Å; L378-S383 PolarHBondContact O-N 2.84Å; E381-S383 PolarHBondContact O-N 2.89Å; S383-R385 PolarHBondContact O-N 2.83Å; S383-R385 VanDerWaalsContact O-N 3.1Å; S383-R385 PolarHBondContact OG-N 2.8Å; S383-I386 WeakPolarHBondContact O-CG1 3.49Å; S383-I386 PolarHBondContact O-N 3.38Å; S383-I386 VanDerWaalsContact O-N 3.13Å
384S94.9Very high95.6Very high109 Ų10948.2 Ų48.276%0.76227%0.265SS*.THydrogen-bonded Turntrans-64.6-10.9173.960.80000113.2I386S384-I386 PolarHBondContact O-N 3.14Å
385R95.4Very high95.6Very high40 Ų4050.8 Ų50.815%0.15128%0.276CS..THydrogen-bonded Turntrans-73.7-8.2172.4-70.9174.367.1169.24.6113.9P141 E146 E182 S383 I387P141-R385 WeakPolarHBondContact CD-O 3.2Å; P141-R385 VanDerWaalsContact O-CZ 3.25Å; P141-R385 PolarHBondContact O-NE 2.91Å; P141-R385 VanDerWaalsContact O-NE 3.08Å; P141-R385 PolarHBondContact O-NH2 3.22Å; E146-R385 IonicContact OE1-NH1 3.54Å; E146-R385 IonicContact OE2-CZ 3.64Å; E146-R385 IonicContact OE2-NH1 3.71Å; E146-R385 PolarHBondContact OE2-NH1 2.65Å; E146-R385 IonicContact OE2-NH2 2.69Å; E182-R385 WeakPolarHBondContact OE1-CD 2.8Å; E182-R385 IonicContact OE1-NH1 3.26Å; S383-R385 PolarHBondContact O-N 2.83Å; S383-R385 VanDerWaalsContact O-N 3.1Å; S383-R385 PolarHBondContact OG-N 2.8Å; R385-I387 WeakPolarHBondContact O-CG1 3.31Å; R385-I387 PolarHBondContact O-N 3.04Å; R385-I387 VanDerWaalsContact O-N 3.16Å
386I96.7Very high95.5Very high12 Ų1253.7 Ų53.76%0.06230%0.296CS..  trans-73.6107.5172.5-58.9167.6000108F108 P138 I140 S383 S384F108-I386 HydrophobicContact CD1-CG2 4.12Å; F108-I386 HydrophobicContact CE1-CD1 4.39Å; F108-I386 HydrophobicContact CE1-CG2 3.87Å; P138-I386 HydrophobicContact CB-CG2 3.72Å; P138-I386 HydrophobicContact CG-CG2 3.97Å; I140-I386 HydrophobicContact CD1-CG1 4.26Å; I140-I386 HydrophobicContact CG1-CG1 4.18Å; S383-I386 WeakPolarHBondContact O-CG1 3.49Å; S383-I386 PolarHBondContact O-N 3.38Å; S383-I386 VanDerWaalsContact O-N 3.13Å; S384-I386 PolarHBondContact O-N 3.14Å
387I97.1Very high95.4Very high43 Ų4356.4 Ų56.422%0.22131%0.313CS..BIsolated β-bridgetrans-101.7118.1-174.3-54.7-53.4000110.6P138 I139 P141 R385 D389 S392 V393P138-I387 VanDerWaalsContact CA-O 3.31Å; P138-I387 WeakPolarHBondContact CA-O 3.45Å; P138-I387 WeakPolarHBondContact CB-O 3.32Å; I139-I387 PolarHBondContact N-O 3.38Å; I139-I387 PolarHBondContact O-N 2.86Å; P141-I387 HydrophobicContact CG-CG1 3.91Å; R385-I387 WeakPolarHBondContact O-CG1 3.31Å; R385-I387 PolarHBondContact O-N 3.04Å; R385-I387 VanDerWaalsContact O-N 3.16Å; I387-D389 WeakPolarHBondContact CG2-O 3.43Å; I387-S392 VanDerWaalsContact CG2-OG 3.31Å; I387-S392 WeakPolarHBondContact CG2-OG 3.42Å; I387-V393 HydrophobicContact CB-CG2 3.94Å; I387-V393 HydrophobicContact CG1-CG2 4.29Å; I387-V393 HydrophobicContact CG2-CG2 3.77Å
388E94.2Very high95.3Very high55 Ų5565.6 Ų65.626%0.25735%0.347SS..SBendtrans-84.5-35.1172.8-64.9-179.4173.500112.5N21 H25 P138 I390N21-E388 WeakPolarHBondContact CA-OE2 3.24Å; N21-E388 WeakPolarHBondContact CB-OE2 3.46Å; N21-E388 PolarHBondContact ND2-OE2 3.32Å; N21-E388 VanDerWaalsContact O-OE1 3.11Å; H25-E388 WeakPolarHBondContact CA-OE1 3.36Å; H25-E388 VanDerWaalsContact CB-OE1 3.3Å; H25-E388 WeakPolarHBondContact CB-OE1 3.31Å; H25-E388 PolarHBondContact N-OE1 3.41Å; H25-E388 IonicContact ND1-OE1 3.86Å; P138-E388 HydrophobicContact CB-CG 4.34Å; E388-I390 VanDerWaalsContact C-N 3.33Å; E388-I390 PolarHBondContact O-N 3.35Å
389D95.8Very high95.1Very high89 Ų8967 Ų6748%0.47636%0.356SS..  trans-78.585.3172.9-1799.6000110.4I387 S391 S392I387-D389 WeakPolarHBondContact CG2-O 3.43Å; D389-S391 PolarHBondContact O-N 3.05Å; D389-S391 WeakPolarHBondContact OD1-CB 3.41Å; D389-S391 PolarHBondContact OD1-N 3.5Å; D389-S391 VanDerWaalsContact OD1-N 3.11Å; D389-S391 PolarHBondContact OD1-OG 3.43Å; D389-S391 PolarHBondContact OD2-OG 3.37Å; D389-S392 WeakPolarHBondContact O-CB 3.39Å; D389-S392 PolarHBondContact O-N 3.15Å; D389-S392 PolarHBondContact O-OG 3.02Å
390I94.7Very high94.9Very high28 Ų2871.7 Ų71.714%0.14439%0.386CS..G310 helixtrans-52.6-29.5179.6-63.8167.4000112.3K129 A132 I139 E388 S392 V393K129-I390 HydrophobicContact CB-CG2 3.71Å; K129-I390 HydrophobicContact CD-CG2 4.31Å; K129-I390 WeakPolarHBondContact CE-O 3.46Å; K129-I390 HydrophobicContact CG-CG2 3.64Å; K129-I390 PolarHBondContact NZ-O 2.84Å; A132-I390 VanDerWaalsContact C-CD1 3.47Å; A132-I390 HydrophobicContact CB-CD1 3.71Å; A132-I390 HydrophobicContact CB-CG1 4.23Å; I139-I390 HydrophobicContact CD1-CG1 4.33Å; I139-I390 HydrophobicContact CD1-CG2 3.88Å; I139-I390 HydrophobicContact CG1-CG1 4.44Å; E388-I390 VanDerWaalsContact C-N 3.33Å; E388-I390 PolarHBondContact O-N 3.35Å; I390-S392 VanDerWaalsContact C-N 3.25Å; I390-S392 PolarHBondContact O-N 2.99Å; I390-V393 PolarHBondContact O-N 3.11Å
391S94.1Very high94.9Very high89 Ų8967.9 Ų67.962%0.62237%0.37SS*.G310 helixtrans-65.3-32.1-179.676.30000112.2K129 D389 V393K129-S391 PolarHBondContact NZ-O 3.4Å; K129-S391 VanDerWaalsContact NZ-O 3.15Å; D389-S391 PolarHBondContact O-N 3.05Å; D389-S391 WeakPolarHBondContact OD1-CB 3.41Å; D389-S391 PolarHBondContact OD1-N 3.5Å; D389-S391 VanDerWaalsContact OD1-N 3.11Å; D389-S391 PolarHBondContact OD1-OG 3.43Å; D389-S391 PolarHBondContact OD2-OG 3.37Å; S391-V393 PolarHBondContact O-N 3.35Å
392S95.4Very high95Very high71 Ų7163 Ų6350%0.49736%0.356SS..G310 helixtrans-76.5-15.9-17873.50000115.1I387 D389 I390 D394I387-S392 VanDerWaalsContact CG2-OG 3.31Å; I387-S392 WeakPolarHBondContact CG2-OG 3.42Å; D389-S392 WeakPolarHBondContact O-CB 3.39Å; D389-S392 PolarHBondContact O-N 3.15Å; D389-S392 PolarHBondContact O-OG 3.02Å; I390-S392 VanDerWaalsContact C-N 3.25Å; I390-S392 PolarHBondContact O-N 2.99Å; S392-D394 PolarHBondContact O-N 3.36Å
393V97.5Very high95.1Very high5 Ų562.7 Ų62.73%0.0336%0.357CS..  trans-68.7122.4179.2178.20000109.6V113 V125 K129 I139 P141 I387 I390 S391V113-V393 HydrophobicContact CG1-CG1 4.23Å; V125-V393 HydrophobicContact CG1-CG1 4.28Å; K129-V393 WeakPolarHBondContact CE-O 3.16Å; K129-V393 PolarHBondContact NZ-O 2.99Å; I139-V393 HydrophobicContact CB-CG2 4.11Å; I139-V393 HydrophobicContact CD1-CG2 4.42Å; I139-V393 HydrophobicContact CG2-CG1 4.19Å; I139-V393 HydrophobicContact CG2-CG2 4.07Å; P141-V393 HydrophobicContact CG-CG1 4.19Å; P141-V393 HydrophobicContact CG-CG2 4.35Å; I387-V393 HydrophobicContact CB-CG2 3.94Å; I387-V393 HydrophobicContact CG1-CG2 4.29Å; I387-V393 HydrophobicContact CG2-CG2 3.77Å; I390-V393 PolarHBondContact O-N 3.11Å; S391-V393 PolarHBondContact O-N 3.35Å
394D96.4Very high95.1Very high118 Ų11866.2 Ų66.263%0.63138%0.376SS*.  trans-129.3172.3174.7-154.5-1.1000110.4S392S392-D394 PolarHBondContact O-N 3.36Å
395F97.6Very high95Very high54 Ų5461.1 Ų61.124%0.23734%0.34CS..  trans-113.4148.1177.366.3-89.1000112.2V113 P118 L121 K122 V125V113-F395 HydrophobicContact CB-CB 4.48Å; V113-F395 CarbonylContact O-C 3.21Å; V113-F395 VanDerWaalsContact O-CA 3.26Å; V113-F395 WeakPolarHBondContact O-CA 3.49Å; V113-F395 VanDerWaalsContact O-CB 3.31Å; V113-F395 WeakPolarHBondContact O-CB 3.1Å; P118-F395 HydrophobicContact CB-CE2 4.02Å; P118-F395 WeakPolarHBondContact O-CE2 3.41Å; L121-F395 HydrophobicContact CB-CB 3.99Å; L121-F395 HydrophobicContact CB-CD2 3.77Å; L121-F395 HydrophobicContact CB-CE2 4.47Å; L121-F395 HydrophobicContact CB-CG 3.92Å; L121-F395 HydrophobicContact CD1-CB 4.28Å; L121-F395 HydrophobicContact CD1-CD2 4.01Å; K122-F395 HydrophobicContact CB-CD1 4.5Å; K122-F395 HydrophobicContact CB-CE1 3.74Å; K122-F395 HydrophobicContact CB-CZ 3.85Å; K122-F395 HydrophobicContact CG-CE1 4.09Å; K122-F395 HydrophobicContact CG-CZ 4.42Å; V125-F395 HydrophobicContact CG2-CB 4.13Å
396C97.2Very high95Very high62 Ų6262.3 Ų62.342%0.41934%0.344SS..  trans-125.6120.5176.3-172.70000109.4V113 K114 R398V113-C396 PolarHBondContact O-N 3.41Å; K114-C396 VanDerWaalsContact CA-O 3.25Å; K114-C396 WeakPolarHBondContact CA-O 3.33Å; K114-C396 HydrophobicContact CB-CB 4.13Å; K114-C396 WeakPolarHBondContact CB-O 3.11Å; C396-R398 PolarHBondContact O-N 2.61Å; C396-R398 PolarHBondContact SG-O 3.46Å
397P95.8Very high94.8Very high57 Ų5766.8 Ų66.837%0.3737%0.365SS..SBendtrans-62.9-17.6180-24.635.3000114.2P115 G116 P118P115-P397 WeakPolarHBondContact CB-O 3.35Å; G116-P397 PolarHBondContact N-O 2.91Å; G116-P397 WeakPolarHBondContact O-CA 3.11Å; P118-P397 HydrophobicContact CB-CG 4.1Å; P118-P397 HydrophobicContact CG-CB 3.99Å; P118-P397 HydrophobicContact CG-CG 3.63Å
398R94Very high94.5Very high213 Ų21367.6 Ų67.680%0.80437%0.37SS*.  trans-118.5149.4-177.7-61.3-179.3-176.1168.90.8110.2C396C396-R398 PolarHBondContact O-N 2.61Å; C396-R398 PolarHBondContact SG-O 3.46Å
399S92.3Very high94.4Very high31 Ų3165 Ų6522%0.21736%0.358CS..  trans-144.9159.9168.2-157.70000110.1K114 D143K114-S399 WeakPolarHBondContact CD-OG 3.48Å; K114-S399 PolarHBondContact NZ-OG 3.38Å; D143-S399 VanDerWaalsContact OD2-CB 3.26Å; D143-S399 WeakPolarHBondContact OD2-CB 3.17Å; D143-S399 PolarHBondContact OD2-OG 2.91Å
400T90.9Very high94.2Very high111 Ų11165.6 Ų65.668%0.68136%0.356SS*.  trans-106.2141.8170.752.10000108.6G402T400-G402 VanDerWaalsContact C-N 3.32Å; T400-G402 PolarHBondContact O-N 3.05Å; T400-G402 VanDerWaalsContact O-N 3.1Å
401F92.9Very high94.1Very high10 Ų1071.1 Ų71.14%0.04438%0.382CS..  trans-87.772177.9-165.6-102.6000110.9M145 A149 I165 L167 I174 Y184 L186M145-F401 HydrophobicContact CB-CD2 3.93Å; M145-F401 HydrophobicContact CB-CE2 4.22Å; M145-F401 HydrophobicContact CE-CB 4.11Å; M145-F401 HydrophobicContact CE-CD2 4.18Å; A149-F401 HydrophobicContact CB-CE2 4.32Å; A149-F401 HydrophobicContact CB-CZ 4.18Å; I165-F401 HydrophobicContact CG2-CE1 3.88Å; I165-F401 HydrophobicContact CG2-CZ 3.79Å; L167-F401 HydrophobicContact CD1-CE2 4.28Å; I174-F401 HydrophobicContact CG2-CB 4.47Å; I174-F401 HydrophobicContact CG2-CD1 3.86Å; I174-F401 HydrophobicContact CG2-CE1 4.25Å; I174-F401 HydrophobicContact CG2-CG 4.05Å; Y184-F401 HydrophobicContact CD1-CE1 4.26Å; Y184-F401 HydrophobicContact CD1-CE2 4.07Å; Y184-F401 AromaticContact CD1-CZ 3.68Å; Y184-F401 HydrophobicContact CD1-CZ 3.68Å; Y184-F401 HydrophobicContact CE1-CZ 4.45Å; Y184-F401 HydrophobicContact CG-CE2 4.43Å; Y184-F401 HydrophobicContact CG-CZ 4.21Å; L186-F401 WeakPolarHBondContact CB-O 3.21Å; L186-F401 HydrophobicContact CD1-CB 4.41Å; L186-F401 HydrophobicContact CD1-CD1 4.47Å
402G94.2Very high93.9Very high35 Ų3568.5 Ų68.536%0.36137%0.365SS..SBendtrans66.2-147.2-179.400000114.6Y184 T400Y184-G402 CarbonylContact O-C 3.57Å; Y184-G402 VanDerWaalsContact O-CA 3.27Å; Y184-G402 WeakPolarHBondContact O-CA 3.12Å; T400-G402 VanDerWaalsContact C-N 3.32Å; T400-G402 PolarHBondContact O-N 3.05Å; T400-G402 VanDerWaalsContact O-N 3.1Å
403V94.7Very high93.6Very high78 Ų7869.8 Ų69.847%0.47337%0.366SS..EExtended strand (participates in β ladder)trans-76.9124.9-178.6-178.50000110.1Y184 V185 L186 V321 C405Y184-V403 PolarHBondContact O-N 3.5Å; V185-V403 CarbonylContact C-O 3.47Å; V185-V403 WeakPolarHBondContact CA-O 3.07Å; L186-V403 PolarHBondContact N-O 3.34Å; V321-V403 HydrophobicContact CG1-CB 4.27Å; V321-V403 HydrophobicContact CG1-CG1 4.11Å; V403-C405 PolarHBondContact O-N 3.45Å
404D95.1Very high93.2Very high81 Ų8170.3 Ų70.343%0.43337%0.369SS..EExtended strand (participates in β ladder)trans-83.2106.2179.6-167.5-14.2000111.6R406D404-R406 VanDerWaalsContact OD1-CB 3.27Å; D404-R406 WeakPolarHBondContact OD1-CB 3.4Å; D404-R406 WeakPolarHBondContact OD1-CG 3.42Å; D404-R406 IonicContact OD1-CZ 3.48Å; D404-R406 PolarHBondContact OD1-N 3.03Å; D404-R406 IonicContact OD1-NE 3.62Å; D404-R406 PolarHBondContact OD1-NE 3.32Å; D404-R406 IonicContact OD2-CZ 3.7Å; D404-R406 IonicContact OD2-NE 3.23Å; D404-R406 PolarHBondContact OD2-NE 2.89Å; D404-R406 IonicContact OD2-NH2 3.96Å; D404-R406 PolarHBondContact OD2-NH2 2.9Å
405C93.8Very high92.9Very high2 Ų269.2 Ų69.21%0.01437%0.371CS..  trans-104.715.8178.5-76.80000112.8V185 L186 L187 V403 E407 D408 V409V185-C405 HydrophobicContact CG1-CB 3.88Å; L186-C405 PolarHBondContact O-N 3.11Å; L187-C405 HydrophobicContact CD2-CB 4.24Å; V403-C405 PolarHBondContact O-N 3.45Å; C405-E407 VanDerWaalsContact C-N 3.34Å; C405-E407 PolarHBondContact O-N 3.43Å; C405-D408 HydrophobicContact CB-CB 4.49Å; C405-D408 WeakPolarHBondContact O-CB 3.39Å; C405-D408 PolarHBondContact O-N 2.79Å; C405-D408 VanDerWaalsContact O-N 3.11Å; C405-V409 WeakPolarHBondContact O-CG2 3.24Å; C405-V409 PolarHBondContact O-N 2.86Å
406R94.4Very high92.6Very high64 Ų6468.2 Ų68.224%0.24237%0.367CS..Hα-helixtrans-61.3-39.1-175.6-71.6-178.4-63.2146.81113.7L186 L187 D252 D404 D408 V409 K410L186-R406 HydrophobicContact CG-CG 4.34Å; L187-R406 WeakPolarHBondContact O-CG 3.14Å; D252-R406 WeakPolarHBondContact OD1-CD 3.47Å; D252-R406 IonicContact OD1-NH1 3.45Å; D252-R406 IonicContact OD2-NH1 2.78Å; D404-R406 VanDerWaalsContact OD1-CB 3.27Å; D404-R406 WeakPolarHBondContact OD1-CB 3.4Å; D404-R406 WeakPolarHBondContact OD1-CG 3.42Å; D404-R406 IonicContact OD1-CZ 3.48Å; D404-R406 PolarHBondContact OD1-N 3.03Å; D404-R406 IonicContact OD1-NE 3.62Å; D404-R406 PolarHBondContact OD1-NE 3.32Å; D404-R406 IonicContact OD2-CZ 3.7Å; D404-R406 IonicContact OD2-NE 3.23Å; D404-R406 PolarHBondContact OD2-NE 2.89Å; D404-R406 IonicContact OD2-NH2 3.96Å; D404-R406 PolarHBondContact OD2-NH2 2.9Å; R406-D408 VanDerWaalsContact C-N 3.33Å; R406-V409 PolarHBondContact O-N 3.25Å; R406-K410 PolarHBondContact O-N 3.38Å; R406-K410 VanDerWaalsContact O-N 3.08Å
407E92.7Very high92.4Very high106 Ų10673 Ų7350%0.49538%0.384SS..Hα-helixtrans-67.9-34.4176-71-58.9140.200111.6C405 K410 Q411C405-E407 VanDerWaalsContact C-N 3.34Å; C405-E407 PolarHBondContact O-N 3.43Å; E407-K410 PolarHBondContact O-N 2.8Å; E407-K410 IonicContact OE1-NZ 3.97Å; E407-K410 IonicContact OE2-NZ 2.72Å; E407-K410 PolarHBondContact OE2-NZ 2.91Å; E407-Q411 WeakPolarHBondContact O-CB 3.35Å; E407-Q411 VanDerWaalsContact O-CG 3.25Å; E407-Q411 WeakPolarHBondContact O-CG 3.37Å; E407-Q411 PolarHBondContact O-N 3.04Å
408D91.4Very high92.2Very high61 Ų6172.7 Ų72.733%0.32638%0.382SS..Hα-helixtrans-65.7-42.7175.3-58.6-30.3000111.2Y310 C405 R406 K410 Q411 A412Y310-D408 WeakPolarHBondContact OH-CB 3.29Å; C405-D408 HydrophobicContact CB-CB 4.49Å; C405-D408 WeakPolarHBondContact O-CB 3.39Å; C405-D408 PolarHBondContact O-N 2.79Å; C405-D408 VanDerWaalsContact O-N 3.11Å; R406-D408 VanDerWaalsContact C-N 3.33Å; D408-K410 VanDerWaalsContact C-N 3.29Å; D408-K410 PolarHBondContact O-N 3.49Å; D408-Q411 PolarHBondContact O-N 2.94Å; D408-A412 PolarHBondContact O-N 2.92Å
409V92Very high92.2Very high1 Ų164.1 Ų64.11%0.00635%0.351CS..Hα-helixtrans-57.3-44.7174.2173.60000110.8L187 C251 Y310 C405 R406 A412L187-V409 HydrophobicContact CB-CG2 4.28Å; L187-V409 HydrophobicContact CD2-CG2 3.89Å; C251-V409 HydrophobicContact CB-CG1 4.32Å; Y310-V409 HydrophobicContact CD1-CG2 3.76Å; Y310-V409 HydrophobicContact CD2-CB 4.27Å; Y310-V409 HydrophobicContact CD2-CG1 4.47Å; Y310-V409 HydrophobicContact CD2-CG2 3.96Å; Y310-V409 HydrophobicContact CE1-CG2 3.7Å; Y310-V409 HydrophobicContact CE2-CB 4.3Å; Y310-V409 HydrophobicContact CE2-CG2 3.91Å; Y310-V409 HydrophobicContact CG-CG2 3.89Å; C405-V409 WeakPolarHBondContact O-CG2 3.24Å; C405-V409 PolarHBondContact O-N 2.86Å; R406-V409 PolarHBondContact O-N 3.25Å; V409-A412 PolarHBondContact O-N 3.38Å
410K92.3Very high92.2Very high100 Ų10071.6 Ų71.644%0.43538%0.38SS..Hα-helixtrans-67.2-40.9179.5-178.4179.6164.1-1580112.1D250 R406 E407 D408 A412 N413D250-K410 HydrophobicContact CB-CB 4.32Å; R406-K410 PolarHBondContact O-N 3.38Å; R406-K410 VanDerWaalsContact O-N 3.08Å; E407-K410 PolarHBondContact O-N 2.8Å; E407-K410 IonicContact OE1-NZ 3.97Å; E407-K410 IonicContact OE2-NZ 2.72Å; E407-K410 PolarHBondContact OE2-NZ 2.91Å; D408-K410 VanDerWaalsContact C-N 3.29Å; D408-K410 PolarHBondContact O-N 3.49Å; K410-A412 VanDerWaalsContact C-N 3.33Å; K410-N413 PolarHBondContact O-N 3.32Å; K410-N413 VanDerWaalsContact O-N 3.16Å
411Q90.9Very high92.3Very high145 Ų14567.8 Ų67.868%0.67836%0.355SS*.Hα-helixtrans-66.6-32.7177-73.5174.622.300112.7E407 D408 N413E407-Q411 WeakPolarHBondContact O-CB 3.35Å; E407-Q411 VanDerWaalsContact O-CG 3.25Å; E407-Q411 WeakPolarHBondContact O-CG 3.37Å; E407-Q411 PolarHBondContact O-N 3.04Å; D408-Q411 PolarHBondContact O-N 2.94Å; Q411-N413 PolarHBondContact O-N 2.93Å; Q411-N413 VanDerWaalsContact O-N 3.09Å
412A90.1Very high92.3Very high34 Ų3469.9 Ų69.928%0.28137%0.371SS..THydrogen-bonded Turntrans-60.9-17.8173.700000113Y310 L313 D408 V409 K410 I414Y310-A412 HydrophobicContact CD2-CB 3.92Å; Y310-A412 HydrophobicContact CE2-CB 4.02Å; L313-A412 HydrophobicContact CD1-CB 4.14Å; D408-A412 PolarHBondContact O-N 2.92Å; V409-A412 PolarHBondContact O-N 3.38Å; K410-A412 VanDerWaalsContact C-N 3.33Å; A412-I414 HydrophobicContact CB-CD1 4.24Å; A412-I414 HydrophobicContact CB-CG1 3.95Å; A412-I414 PolarHBondContact O-N 3.26Å
413N89.9Confident91.9Very high97 Ų9771 Ų7152%0.51937%0.373SS..THydrogen-bonded Turntrans52.832.8166.8-167.926.5000114.1K249 K410 Q411 S415K249-N413 WeakPolarHBondContact CD-OD1 3.48Å; K249-N413 WeakPolarHBondContact CE-OD1 3.27Å; K249-N413 PolarHBondContact NZ-O 2.93Å; K249-N413 PolarHBondContact NZ-OD1 3.38Å; K410-N413 PolarHBondContact O-N 3.32Å; K410-N413 VanDerWaalsContact O-N 3.16Å; Q411-N413 PolarHBondContact O-N 2.93Å; Q411-N413 VanDerWaalsContact O-N 3.09Å; N413-S415 PolarHBondContact O-N 3.42Å
414I89.3Confident91.5Very high17 Ų1772.8 Ų72.89%0.08738%0.38CS..  trans-60.7133-171.1-56.7176.8000110.2R306 E309 Y310 L313 A412 I416R306-I414 PolarHBondContact NH1-O 3.48Å; R306-I414 PolarHBondContact NH2-O 2.92Å; E309-I414 HydrophobicContact CB-CD1 4.49Å; E309-I414 HydrophobicContact CB-CG2 4.02Å; Y310-I414 HydrophobicContact CD2-CD1 4.06Å; Y310-I414 HydrophobicContact CG-CD1 4.35Å; L313-I414 HydrophobicContact CD1-CD1 3.52Å; L313-I414 HydrophobicContact CD1-CG1 3.83Å; L313-I414 HydrophobicContact CG-CD1 4.1Å; A412-I414 HydrophobicContact CB-CD1 4.24Å; A412-I414 HydrophobicContact CB-CG1 3.95Å; A412-I414 PolarHBondContact O-N 3.26Å; I414-I416 HydrophobicContact CG2-CG2 4Å
415S90.3Very high91.2Very high95 Ų9570 Ų7066%0.66437%0.365SS*.  trans-94.3127168.2-66.60000107.7K249 N413K249-S415 PolarHBondContact NZ-OG 3.01Å; K249-S415 VanDerWaalsContact NZ-OG 3.11Å; N413-S415 PolarHBondContact O-N 3.42Å
416I90.9Very high90.8Very high32 Ų3270.7 Ų70.716%0.16437%0.368CS..  trans-112.7137.3175.667.5176.6000108.5R302 Q305 R306 E309 I414 P418R302-I416 HydrophobicContact CB-CD1 4.4Å; R302-I416 WeakPolarHBondContact O-CD1 3.42Å; Q305-I416 HydrophobicContact CB-CD1 4.48Å; Q305-I416 HydrophobicContact CG-CD1 4.47Å; R306-I416 HydrophobicContact CB-CD1 4.25Å; R306-I416 HydrophobicContact CB-CG2 4.27Å; E309-I416 HydrophobicContact CG-CG2 4.13Å; I414-I416 HydrophobicContact CG2-CG2 4Å; I416-P418 WeakPolarHBondContact O-CD 3.38Å
417E92.3Very high89.6Confident164 Ų16473.3 Ų73.377%0.76638%0.383SS*.  trans-84.2112.4161.5-175.3177.1175.900107.4Q305 I419Q305-E417 PolarHBondContact NE2-O 2.63Å; E417-I419 PolarHBondContact O-N 2.99Å
418P91.9Very high87.8Confident50 Ų5072.3 Ų72.333%0.32539%0.385SS..  trans-60.1125.4-174.2-24.635.1000111.7R302 I416 K420R302-P418 HydrophobicContact CG-CB 4.34Å; I416-P418 WeakPolarHBondContact O-CD 3.38Å; P418-K420 PolarHBondContact O-N 3.46Å
419I93.9Very high87.6Confident32 Ų3272.9 Ų72.916%0.16439%0.388CS..  trans-56.6130.1174.8-65.3162.1000109.1Q305 V348 H351 Y352 E417 L421Q305-I419 HydrophobicContact CG-CD1 3.98Å; Q305-I419 HydrophobicContact CG-CG1 4.47Å; Q305-I419 VanDerWaalsContact OE1-N 3.14Å; V348-I419 HydrophobicContact CB-CD1 4.36Å; V348-I419 HydrophobicContact CG1-CD1 4.16Å; V348-I419 HydrophobicContact CG2-CD1 4.17Å; H351-I419 HydrophobicContact CB-CD1 3.8Å; Y352-I419 HydrophobicContact CE2-CD1 3.91Å; E417-I419 PolarHBondContact O-N 2.99Å; I419-L421 HydrophobicContact CG2-CD2 4.48Å; I419-L421 PolarHBondContact O-N 3.31Å
420K92.1Very high87.4Confident189 Ų18976.6 Ų76.682%0.82241%0.408SS*.  trans-77.9108173.7-68.8-178.6-176.8174.30108.2P418P418-K420 PolarHBondContact O-N 3.46Å
421L93.1Very high87.1Confident31 Ų3175.3 Ų75.316%0.16241%0.407CS..  trans-72.4139.3175.3-58.6178000110T297 R298 C301 E347 V348 I419 I425 F426T297-L421 HydrophobicContact CG2-CD1 4.1Å; R298-L421 HydrophobicContact CG-CD1 4.26Å; C301-L421 HydrophobicContact CB-CD1 4.26Å; E347-L421 HydrophobicContact CB-CD2 4.24Å; E347-L421 WeakPolarHBondContact OE2-CA 3.47Å; V348-L421 HydrophobicContact CG2-CD2 4.45Å; I419-L421 HydrophobicContact CG2-CD2 4.48Å; I419-L421 PolarHBondContact O-N 3.31Å; L421-I425 HydrophobicContact CB-CD1 4.46Å; L421-F426 HydrophobicContact CB-CE2 3.85Å; L421-F426 HydrophobicContact CB-CZ 4.22Å; L421-F426 HydrophobicContact CD1-CE2 4.27Å; L421-F426 HydrophobicContact CD1-CZ 3.78Å
422S92.1Very high86.9Confident54 Ų5471.2 Ų71.238%0.37839%0.391SS..  trans-61.1139.3177.9-57.10000111.2E347 D424 I425E347-S422 WeakPolarHBondContact OE1-CB 3.21Å; E347-S422 PolarHBondContact OE1-OG 3.23Å; E347-S422 PolarHBondContact OE2-N 3.04Å; S422-D424 PolarHBondContact O-N 3.49Å; S422-I425 WeakPolarHBondContact O-CB 3.28Å; S422-I425 PolarHBondContact O-N 3.37Å
423S86.7Confident86.7Confident58 Ų5873.6 Ų73.641%0.40640%0.398SS..G310 helixtrans-57.6-33.8176.244.70000112.4I425 F426 Q427S423-I425 PolarHBondContact O-N 3.47Å; S423-F426 PolarHBondContact O-N 3.41Å; S423-Q427 PolarHBondContact O-N 3.25Å
424D86.8Confident86.5Confident116 Ų11672 Ų7262%0.6239%0.39SS*.G310 helixtrans-68-21.4-172.7-54.2-6.3000112.1S422 F426 Q427S422-D424 PolarHBondContact O-N 3.49Å; D424-F426 PolarHBondContact O-N 3.16Å; D424-Q427 PolarHBondContact O-N 3.23Å
425I87.4Confident86.2Confident23 Ų2375.9 Ų75.912%0.11841%0.411CS..G310 helixtrans-62.1-33.3171.9-69.1167.7000111.5V340 A343 E347 L421 S422 S423V340-I425 HydrophobicContact CG1-CG2 3.95Å; V340-I425 WeakPolarHBondContact O-CG2 3.45Å; A343-I425 HydrophobicContact CB-CB 4.35Å; A343-I425 HydrophobicContact CB-CD1 4.41Å; A343-I425 HydrophobicContact CB-CG1 3.96Å; A343-I425 HydrophobicContact CB-CG2 3.69Å; E347-I425 HydrophobicContact CG-CD1 3.81Å; E347-I425 WeakPolarHBondContact OE1-CD1 3.48Å; E347-I425 VanDerWaalsContact OE2-CD1 3.29Å; E347-I425 WeakPolarHBondContact OE2-CD1 3.31Å; L421-I425 HydrophobicContact CB-CD1 4.46Å; S422-I425 WeakPolarHBondContact O-CB 3.28Å; S422-I425 PolarHBondContact O-N 3.37Å; S423-I425 PolarHBondContact O-N 3.47Å
426F85.4Confident85.9Confident16 Ų1674.5 Ų74.57%0.0739%0.392CS..G310 helixtrans-103.21-175.1-52.5-73.5000112.4H236 F294 T297 V340 L421 S423 D424H236-F426 HydrophobicContact CB-CB 4.17Å; H236-F426 VanDerWaalsContact CE1-CB 3.47Å; H236-F426 WeakPolarHBondContact CE1-CB 3.31Å; H236-F426 VanDerWaalsContact CG-CB 3.49Å; H236-F426 VanDerWaalsContact ND1-CB 3.31Å; H236-F426 WeakPolarHBondContact ND1-CB 3.39Å; H236-F426 PolarHBondContact ND1-O 2.72Å; F294-F426 HydrophobicContact CB-CD1 4.13Å; F294-F426 HydrophobicContact CB-CE1 4.29Å; F294-F426 AromaticContact CD2-CD1 3.61Å; F294-F426 HydrophobicContact CD2-CD1 3.61Å; F294-F426 AromaticContact CD2-CD2 3.65Å; F294-F426 HydrophobicContact CD2-CD2 3.65Å; F294-F426 AromaticContact CD2-CE1 3.56Å; F294-F426 HydrophobicContact CD2-CE1 3.56Å; F294-F426 AromaticContact CD2-CE2 3.59Å; F294-F426 HydrophobicContact CD2-CE2 3.59Å; F294-F426 AromaticContact CD2-CG 3.66Å; F294-F426 HydrophobicContact CD2-CG 3.66Å; F294-F426 AromaticContact CD2-CZ 3.54Å; F294-F426 HydrophobicContact CD2-CZ 3.54Å; F294-F426 AromaticContact CE2-CD2 3.81Å; F294-F426 HydrophobicContact CE2-CD2 3.81Å; F294-F426 HydrophobicContact CE2-CE1 4.41Å; F294-F426 AromaticContact CE2-CE2 3.63Å; F294-F426 HydrophobicContact CE2-CE2 3.63Å; F294-F426 HydrophobicContact CE2-CG 4.27Å; F294-F426 AromaticContact CE2-CZ 3.95Å; F294-F426 HydrophobicContact CE2-CZ 3.95Å; F294-F426 HydrophobicContact CG-CD1 4.38Å; F294-F426 HydrophobicContact CG-CE1 4.39Å; T297-F426 HydrophobicContact CG2-CE1 3.9Å; T297-F426 HydrophobicContact CG2-CZ 4.01Å; V340-F426 HydrophobicContact CG1-CD1 3.36Å; V340-F426 HydrophobicContact CG1-CE1 3.52Å; V340-F426 HydrophobicContact CG1-CG 4.45Å; L421-F426 HydrophobicContact CB-CE2 3.85Å; L421-F426 HydrophobicContact CB-CZ 4.22Å; L421-F426 HydrophobicContact CD1-CE2 4.27Å; L421-F426 HydrophobicContact CD1-CZ 3.78Å; S423-F426 PolarHBondContact O-N 3.41Å; D424-F426 PolarHBondContact O-N 3.16Å
427Q70Confident85.5Confident119 Ų11978 Ų7856%0.55641%0.411SS*.  trans-88.6139165.4-66.8-168.3-3.100108.6S423 D424S423-Q427 PolarHBondContact O-N 3.25Å; D424-Q427 PolarHBondContact O-N 3.23Å
428P54.4Low84.9Confident84 Ų8470.2 Ų70.255%0.54538%0.379SS..  trans-59.60-172.825.1-37.4000115.1K230 N233K230-P428 HydrophobicContact CB-CB 4.38Å; K230-P428 HydrophobicContact CG-CB 3.83Å; K230-P428 PolarHBondContact NZ-OXT 3.45Å; K230-P428 VanDerWaalsContact O-CB 3.3Å; K230-P428 WeakPolarHBondContact O-CB 3.49Å; N233-P428 HydrophobicContact CB-CG 4.15Å

Retrieved 428 of 428 residues in 152.6 ms (Link to these results)

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