A0A087Y2N2_POEFO Loading...

TAF5-like RNA polymerase II, p300/CBP-associated factor (PCAF)-associated factor

AlphaFold DB , UniProt , Accession A0A087Y2N2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 601 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.8Low69.5Low191 Ų191135.9 Ų135.994%0.94162%0.622SS**  0-52.90-88.8-167.6-96.700114.5R3 V4 R5M1-R3 PolarHBondContact O-N 3.47Å; M1-V4 PolarHBondContact O-N 3.03Å; M1-R5 PolarHBondContact O-N 3.43Å; M1-R5 VanDerWaalsContact O-N 3.12Å
2K50.2Low70.8Confident186 Ų186129.3 Ų129.381%0.80961%0.61SS**Hα-helixtrans-59.9-41.8-179-75.2-175.9176.1-179.30114.6R5 A6K2-R5 PolarHBondContact O-N 3.18Å; K2-A6 PolarHBondContact O-N 3.11Å; K2-A6 VanDerWaalsContact O-N 3.1Å
3R55.1Low71.7Confident206 Ų206125.1 Ų125.178%0.77760%0.597SS**Hα-helixtrans-63.2-46.3177.4-123.9179.7-172.9173.50.9112.8M1 R5 A6 E7M1-R3 PolarHBondContact O-N 3.47Å; R3-R5 VanDerWaalsContact C-N 3.35Å; R3-R5 PolarHBondContact O-N 3.45Å; R3-A6 WeakPolarHBondContact O-CB 3.37Å; R3-A6 PolarHBondContact O-N 3.16Å; R3-A6 VanDerWaalsContact O-N 3.13Å; R3-E7 WeakPolarHBondContact O-CG 3.32Å; R3-E7 PolarHBondContact O-N 3.1Å
4V57.1Low72.3Confident77 Ų77120 Ų12047%0.46759%0.586SS.*Hα-helixtrans-61.7-40.1178.2-178.30000111.8M1 Q8M1-V4 PolarHBondContact O-N 3.03Å; V4-Q8 VanDerWaalsContact O-CG 3.27Å; V4-Q8 WeakPolarHBondContact O-CG 3.41Å; V4-Q8 PolarHBondContact O-N 3.41Å
5R70.8Confident73.1Confident169 Ų169116.7 Ų116.764%0.63857%0.569SS**Hα-helixtrans-67-38.2174.2-80.4-173-176.8171.31.3112.6M1 K2 R3 Q8 I9M1-R5 PolarHBondContact O-N 3.43Å; M1-R5 VanDerWaalsContact O-N 3.12Å; K2-R5 PolarHBondContact O-N 3.18Å; R3-R5 VanDerWaalsContact C-N 3.35Å; R3-R5 PolarHBondContact O-N 3.45Å; R5-Q8 PolarHBondContact O-N 2.94Å; R5-I9 VanDerWaalsContact O-CG1 3.27Å; R5-I9 WeakPolarHBondContact O-CG1 3.35Å; R5-I9 PolarHBondContact O-N 3.21Å
6A74.4Confident73.6Confident46 Ų46117.4 Ų117.438%0.3857%0.565SS.*Hα-helixtrans-64.6-42.217700000111.6K2 R3 Q8 I9 Q10K2-A6 PolarHBondContact O-N 3.11Å; K2-A6 VanDerWaalsContact O-N 3.1Å; R3-A6 WeakPolarHBondContact O-CB 3.37Å; R3-A6 PolarHBondContact O-N 3.16Å; R3-A6 VanDerWaalsContact O-N 3.13Å; A6-Q8 PolarHBondContact O-N 3.12Å; A6-I9 PolarHBondContact O-N 3.09Å; A6-Q10 WeakPolarHBondContact O-CB 3.27Å; A6-Q10 WeakPolarHBondContact O-CG 3.47Å; A6-Q10 PolarHBondContact O-N 3.38Å
7E77.8Confident74.2Confident109 Ų109114.3 Ų114.351%0.50955%0.552SS.*Hα-helixtrans-63.5-39.7175.3-71.1163.6-166.900111.9R3 Q10 Y11R3-E7 WeakPolarHBondContact O-CG 3.32Å; R3-E7 PolarHBondContact O-N 3.1Å; E7-Q10 PolarHBondContact O-N 2.95Å; E7-Y11 WeakPolarHBondContact O-CB 3.4Å; E7-Y11 PolarHBondContact O-N 3.31Å
8Q82.3Confident74.5Confident121 Ų121116.6 Ų116.657%0.56556%0.559SS**Hα-helixtrans-64.1-41.1174.1-74.5171.3-13.800112.7V4 R5 A6 Y11 A12V4-Q8 VanDerWaalsContact O-CG 3.27Å; V4-Q8 WeakPolarHBondContact O-CG 3.41Å; V4-Q8 PolarHBondContact O-N 3.41Å; R5-Q8 PolarHBondContact O-N 2.94Å; A6-Q8 PolarHBondContact O-N 3.12Å; Q8-Y11 PolarHBondContact O-N 3.43Å; Q8-A12 WeakPolarHBondContact O-CB 3.38Å; Q8-A12 PolarHBondContact O-N 2.88Å
9I81.4Confident75Confident110 Ų110121.5 Ų121.556%0.56457%0.571SS**Hα-helixtrans-65.2-46.7175.7-68.7164.8000110R5 A6 Y11 A12 V13R5-I9 VanDerWaalsContact O-CG1 3.27Å; R5-I9 WeakPolarHBondContact O-CG1 3.35Å; R5-I9 PolarHBondContact O-N 3.21Å; A6-I9 PolarHBondContact O-N 3.09Å; I9-Y11 VanDerWaalsContact C-N 3.28Å; I9-Y11 PolarHBondContact O-N 2.91Å; I9-A12 PolarHBondContact O-N 3.46Å; I9-A12 VanDerWaalsContact O-N 3.12Å; I9-V13 HydrophobicContact CG2-CG2 4.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.42Å; I9-V13 PolarHBondContact O-N 3.37Å
10Q80.6Confident75.3Confident128 Ų128123.5 Ų123.560%0.59857%0.573SS**Hα-helixtrans-57.5-43.1176.3-75.7176.4-1100111.6A6 E7 V13 A14A6-Q10 WeakPolarHBondContact O-CB 3.27Å; A6-Q10 WeakPolarHBondContact O-CG 3.47Å; A6-Q10 PolarHBondContact O-N 3.38Å; E7-Q10 PolarHBondContact O-N 2.95Å; Q10-V13 PolarHBondContact O-N 2.99Å; Q10-A14 WeakPolarHBondContact O-CB 3.27Å; Q10-A14 PolarHBondContact O-N 3.21Å
11Y82.7Confident75.4Confident152 Ų152125.8 Ų125.860%0.59658%0.584SS**Hα-helixtrans-61.6-46.2174.7179.8-97.3000112E7 Q8 I9 V13 A14 Q15E7-Y11 WeakPolarHBondContact O-CB 3.4Å; E7-Y11 PolarHBondContact O-N 3.31Å; Q8-Y11 PolarHBondContact O-N 3.43Å; I9-Y11 VanDerWaalsContact C-N 3.28Å; I9-Y11 PolarHBondContact O-N 2.91Å; Y11-V13 VanDerWaalsContact C-N 3.35Å; Y11-V13 PolarHBondContact O-N 2.92Å; Y11-A14 PolarHBondContact O-N 3.26Å; Y11-Q15 HydrophobicContact CD1-CG 4.21Å; Y11-Q15 HydrophobicContact CE1-CG 3.78Å; Y11-Q15 HydrophobicContact CE2-CG 4.32Å; Y11-Q15 WeakPolarHBondContact O-CG 3.33Å; Y11-Q15 PolarHBondContact O-N 3.29Å
12A85.6Confident75.9Confident57 Ų57121.8 Ų121.847%0.47156%0.559SS.*Hα-helixtrans-61.8-41.6177.800000112.3Q8 I9 Q15 Y16Q8-A12 WeakPolarHBondContact O-CB 3.38Å; Q8-A12 PolarHBondContact O-N 2.88Å; I9-A12 PolarHBondContact O-N 3.46Å; I9-A12 VanDerWaalsContact O-N 3.12Å; A12-Q15 PolarHBondContact O-N 2.91Å; A12-Y16 WeakPolarHBondContact O-CB 3.45Å; A12-Y16 PolarHBondContact O-N 3.26Å
13V82.5Confident76.3Confident74 Ų74118.6 Ų118.645%0.44856%0.555SS.*Hα-helixtrans-62.4-47.6175.11720000110.6I9 Q10 Y11 Q15 Y16 L17I9-V13 HydrophobicContact CG2-CG2 4.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.42Å; I9-V13 PolarHBondContact O-N 3.37Å; Q10-V13 PolarHBondContact O-N 2.99Å; Y11-V13 VanDerWaalsContact C-N 3.35Å; Y11-V13 PolarHBondContact O-N 2.92Å; V13-Q15 VanDerWaalsContact C-N 3.31Å; V13-Q15 PolarHBondContact O-N 2.92Å; V13-Y16 WeakPolarHBondContact O-CB 3.48Å; V13-Y16 PolarHBondContact O-N 3.48Å; V13-Y16 VanDerWaalsContact O-N 3.09Å; V13-L17 HydrophobicContact CG1-CD1 3.95Å; V13-L17 HydrophobicContact CG1-CG 4.3Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.37Å
14A80.6Confident76.1Confident54 Ų54116.7 Ų116.745%0.44656%0.56SS.*Hα-helixtrans-59.7-41.5177.600000112Q10 Y11 K18Q10-A14 WeakPolarHBondContact O-CB 3.27Å; Q10-A14 PolarHBondContact O-N 3.21Å; Y11-A14 PolarHBondContact O-N 3.26Å; A14-K18 VanDerWaalsContact O-CB 3.32Å; A14-K18 WeakPolarHBondContact O-CB 3.33Å; A14-K18 PolarHBondContact O-N 3.41Å
15Q83.1Confident75.6Confident70 Ų70119 Ų11933%0.32757%0.574SS.*Hα-helixtrans-64.8-39.1174.3-68.2-58-39.500112.4Y11 A12 V13 R19Y11-Q15 HydrophobicContact CD1-CG 4.21Å; Y11-Q15 HydrophobicContact CE1-CG 3.78Å; Y11-Q15 HydrophobicContact CE2-CG 4.32Å; Y11-Q15 WeakPolarHBondContact O-CG 3.33Å; Y11-Q15 PolarHBondContact O-N 3.29Å; A12-Q15 PolarHBondContact O-N 2.91Å; V13-Q15 VanDerWaalsContact C-N 3.31Å; V13-Q15 PolarHBondContact O-N 2.92Å; Q15-R19 WeakPolarHBondContact O-CG 3.5Å; Q15-R19 PolarHBondContact O-N 3.41Å
16Y82.6Confident74.1Confident128 Ų128118.3 Ų118.350%0.50258%0.583SS.*Hα-helixtrans-63.4-48.4176.6178.5-96.3000111.7A12 V13 K18 R19 R20A12-Y16 WeakPolarHBondContact O-CB 3.45Å; A12-Y16 PolarHBondContact O-N 3.26Å; V13-Y16 WeakPolarHBondContact O-CB 3.48Å; V13-Y16 PolarHBondContact O-N 3.48Å; V13-Y16 VanDerWaalsContact O-N 3.09Å; Y16-K18 VanDerWaalsContact C-N 3.34Å; Y16-K18 PolarHBondContact O-N 3.23Å; Y16-R19 PolarHBondContact O-N 3.12Å; Y16-R20 HydrophobicContact CE1-CG 4.11Å; Y16-R20 PolarHBondContact O-N 3.46Å; Y16-R20 VanDerWaalsContact O-N 3.11Å; Y16-R20 PolarHBondContact OH-NE 3.1Å; Y16-R20 VanDerWaalsContact OH-NE 3.16Å; Y16-R20 PolarHBondContact OH-NH2 2.97Å
17L83.1Confident72.3Confident65 Ų65121.7 Ų121.734%0.3460%0.604SS.*Hα-helixtrans-61.3-42.7177.7-68.2174.3000111.6V13 R19 R20 Q21 Y22V13-L17 HydrophobicContact CG1-CD1 3.95Å; V13-L17 HydrophobicContact CG1-CG 4.3Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.37Å; L17-R19 PolarHBondContact O-N 3.37Å; L17-R20 CarbonylContact O-C 3.31Å; L17-R20 PolarHBondContact O-N 3.5Å; L17-R20 VanDerWaalsContact O-N 3.1Å; L17-Q21 PolarHBondContact O-N 2.9Å; L17-Y22 HydrophobicContact CD2-CD2 4.06Å; L17-Y22 HydrophobicContact CD2-CG 4.42Å; L17-Y22 PolarHBondContact O-N 3.35Å
18K80.4Confident70.5Confident155 Ų155121.6 Ų121.667%0.67462%0.616SS**Hα-helixtrans-60.6-41.4175.4-172.7175.7-177.7175.70112.5A14 Y16 R20 Q21A14-K18 VanDerWaalsContact O-CB 3.32Å; A14-K18 WeakPolarHBondContact O-CB 3.33Å; A14-K18 PolarHBondContact O-N 3.41Å; Y16-K18 VanDerWaalsContact C-N 3.34Å; Y16-K18 PolarHBondContact O-N 3.23Å; K18-R20 VanDerWaalsContact C-N 3.26Å; K18-R20 PolarHBondContact O-N 3.13Å; K18-Q21 PolarHBondContact O-N 3.44Å
19R83.8Confident68.3Low211 Ų211122.7 Ų122.780%0.79663%0.625SS**Hα-helixtrans-64.3-31.4175.3-76.1179.2-176-166.21.5112.6Q15 Y16 L17 Q21Q15-R19 WeakPolarHBondContact O-CG 3.5Å; Q15-R19 PolarHBondContact O-N 3.41Å; Y16-R19 PolarHBondContact O-N 3.12Å; L17-R19 PolarHBondContact O-N 3.37Å; R19-Q21 PolarHBondContact O-N 3.05Å
20R80.9Confident66Low161 Ų161128.1 Ų128.161%0.60864%0.644SS**THydrogen-bonded Turntrans-83.35.1177.2-72.7-85-173.8175.80.6113.4Y16 L17 K18 Y22Y16-R20 HydrophobicContact CE1-CG 4.11Å; Y16-R20 PolarHBondContact O-N 3.46Å; Y16-R20 VanDerWaalsContact O-N 3.11Å; Y16-R20 PolarHBondContact OH-NE 3.1Å; Y16-R20 VanDerWaalsContact OH-NE 3.16Å; Y16-R20 PolarHBondContact OH-NH2 2.97Å; L17-R20 CarbonylContact O-C 3.31Å; L17-R20 PolarHBondContact O-N 3.5Å; L17-R20 VanDerWaalsContact O-N 3.1Å; K18-R20 VanDerWaalsContact C-N 3.26Å; K18-R20 PolarHBondContact O-N 3.13Å; R20-Y22 VanDerWaalsContact C-N 3.27Å; R20-Y22 HydrophobicContact CB-CD2 3.71Å; R20-Y22 HydrophobicContact CB-CE2 3.87Å; R20-Y22 PolarHBondContact O-N 2.86Å
21Q76.4Confident63.8Low171 Ų171124.8 Ų124.880%0.79965%0.645SS**THydrogen-bonded Turntrans6129.6179.1-54.9-179.9-6.600114.3L17 K18 R19 V23L17-Q21 PolarHBondContact O-N 2.9Å; K18-Q21 PolarHBondContact O-N 3.44Å; R19-Q21 PolarHBondContact O-N 3.05Å; Q21-V23 PolarHBondContact O-N 3.43Å
22Y63.3Low61.3Low107 Ų107122.1 Ų122.142%0.4265%0.654SS.*  trans-70.2118.7164.5-75.7-87000108.4L17 R20L17-Y22 HydrophobicContact CD2-CD2 4.06Å; L17-Y22 HydrophobicContact CD2-CG 4.42Å; L17-Y22 PolarHBondContact O-N 3.35Å; R20-Y22 VanDerWaalsContact C-N 3.27Å; R20-Y22 HydrophobicContact CB-CD2 3.71Å; R20-Y22 HydrophobicContact CB-CE2 3.87Å; R20-Y22 PolarHBondContact O-N 2.86Å
23V57.1Low58.8Low119 Ų119128.6 Ų128.672%0.72167%0.671SS**  trans-81.1124.2-178.4-179.60000108.7Q21 T25Q21-V23 PolarHBondContact O-N 3.43Å; V23-T25 VanDerWaalsContact C-N 3.3Å; V23-T25 HydrophobicContact CG1-CG2 4.16Å; V23-T25 PolarHBondContact O-N 3.29Å
24D51.9Low56.7Low167 Ų167132.8 Ų132.889%0.89369%0.69SS**  trans-66.690.2166.5-84.3-32000108.4D26D24-D26 PolarHBondContact O-N 3.41Å
25T45.8Very low54.7Low124 Ų124138.6 Ų138.676%0.76171%0.706SS**  trans-80.4101.4166.949.80000108.9V23V23-T25 VanDerWaalsContact C-N 3.3Å; V23-T25 HydrophobicContact CG1-CG2 4.16Å; V23-T25 PolarHBondContact O-N 3.29Å
26D39.2Very low52.7Low155 Ų155138.2 Ų138.283%0.82970%0.704SS**  trans78.1111.9162.5-75.2-18.8000121.9D24 S28D24-D26 PolarHBondContact O-N 3.41Å; D26-S28 PolarHBondContact O-N 3Å
27S38.6Very low51.1Low117 Ų117134 Ų13482%0.81869%0.694SS**  trans-61.4111.2157.851.60000112.9
28S39.9Very low49Very low108 Ų108135.1 Ų135.176%0.75570%0.703SS**  165100.9116.7102.80000108.9D26D26-S28 PolarHBondContact O-N 3Å
29L35.6Very low47.5Very low144 Ų144134.2 Ų134.275%0.75470%0.701SS**  trans-138.480.1164.3-79.8170.1000108.3G31 F35L29-G31 PolarHBondContact O-N 3.12Å; L29-G31 VanDerWaalsContact O-N 3.12Å; L29-F35 HydrophobicContact CD1-CZ 3.97Å
30K33.5Very low45.8Very low223 Ų223128.5 Ų128.597%0.9768%0.684SS**  trans-67.9102.3156.8-84-174.7176.9177.40107.2
31G33.1Very low44.3Very low59 Ų59124.6 Ų124.661%0.60867%0.674SS**SBendtrans123.2117.6164.800000114.2L29L29-G31 PolarHBondContact O-N 3.12Å; L29-G31 VanDerWaalsContact O-N 3.12Å
32A30.8Very low42.8Very low96 Ų96119 Ų11979%0.79366%0.657SS**  trans80.9115.7160.900000119.8
33K32.8Very low42.1Very low192 Ų192114.4 Ų114.484%0.83564%0.642SS**  trans76.4117.5152.9-63.5-174.6-178.2-178.20119.4F35K33-F35 PolarHBondContact O-N 3Å
34L38.9Very low41.9Very low162 Ų162109 Ų10985%0.84861%0.609SS**  trans-11.9108.7158-69.8134.9000114.9Q36L34-Q36 PolarHBondContact O-N 2.85Å
35F37.8Very low42Very low176 Ų176105.8 Ų105.877%0.77259%0.592SS**PPolyproline II helixtrans-73120.5169.3-79.4-87.8000110L29 K33L29-F35 HydrophobicContact CD1-CZ 3.97Å; K33-F35 PolarHBondContact O-N 3Å
36Q41.6Very low42.4Very low62 Ų62102.6 Ų102.629%0.2957%0.573SS.*PPolyproline II helixtrans-69.7148.8164.5-73.61579.400109.2L34 E40 L41 A510L34-Q36 PolarHBondContact O-N 2.85Å; Q36-E40 WeakPolarHBondContact CA-OE2 3.21Å; Q36-E40 HydrophobicContact CB-CB 4.16Å; Q36-L41 HydrophobicContact CB-CD1 4.48Å; Q36-L41 HydrophobicContact CB-CG 4.32Å; Q36-A510 VanDerWaalsContact NE2-CA 3.3Å; Q36-A510 PolarHBondContact NE2-O 3.18Å
37S48Very low43.1Very low41 Ų4195.3 Ų95.329%0.28753%0.534SS..PPolyproline II helixtrans-64.815617578.20000110.9E39 E40 L41S37-E39 PolarHBondContact O-N 3.22Å; S37-E40 PolarHBondContact N-OE2 2.67Å; S37-E40 WeakPolarHBondContact O-CB 3.41Å; S37-E40 PolarHBondContact O-N 3.39Å; S37-E40 WeakPolarHBondContact OG-CB 3.49Å; S37-E40 VanDerWaalsContact OG-CG 3.22Å; S37-E40 WeakPolarHBondContact OG-CG 3.42Å; S37-E40 PolarHBondContact OG-N 3.27Å; S37-E40 VanDerWaalsContact OG-N 3.07Å; S37-L41 WeakPolarHBondContact O-CB 3.41Å; S37-L41 PolarHBondContact O-N 3.05Å
38T40.3Very low43.7Very low87 Ų8795.1 Ų95.153%0.53452%0.52SS..Hα-helixtrans-59.9-30.4177.648.40000112.6A42T38-A42 VanDerWaalsContact O-CB 3.27Å; T38-A42 WeakPolarHBondContact O-CB 3.22Å; T38-A42 PolarHBondContact O-N 2.68Å
39E47.9Very low44.3Very low136 Ų13694.4 Ų94.464%0.63651%0.511SS*.Hα-helixtrans-70.8-41173.2-67.8176.217600111.6S37 L41 A42 A43S37-E39 PolarHBondContact O-N 3.22Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-A42 PolarHBondContact O-N 3.25Å; E39-A43 WeakPolarHBondContact O-CB 3.34Å; E39-A43 PolarHBondContact O-N 3.07Å
40E49.1Very low45.2Very low92 Ų9288.5 Ų88.543%0.4348%0.479SS..Hα-helixtrans-67.7-34.7174.3-74.6166.9-178.500112.5Q36 S37 G44 R473Q36-E40 WeakPolarHBondContact CA-OE2 3.21Å; Q36-E40 HydrophobicContact CB-CB 4.16Å; S37-E40 PolarHBondContact N-OE2 2.67Å; S37-E40 WeakPolarHBondContact O-CB 3.41Å; S37-E40 PolarHBondContact O-N 3.39Å; S37-E40 WeakPolarHBondContact OG-CB 3.49Å; S37-E40 VanDerWaalsContact OG-CG 3.22Å; S37-E40 WeakPolarHBondContact OG-CG 3.42Å; S37-E40 PolarHBondContact OG-N 3.27Å; S37-E40 VanDerWaalsContact OG-N 3.07Å; E40-G44 WeakPolarHBondContact O-CA 3.27Å; E40-G44 PolarHBondContact O-N 3.02Å; E40-R473 PolarHBondContact O-NH2 3.44Å
41L48.3Very low45.8Very low78 Ų7878.7 Ų78.741%0.40844%0.439SS..Hα-helixtrans-68.4-48.3173.5-104.7154.6000110.9Q36 S37 E39 G44 L45Q36-L41 HydrophobicContact CB-CD1 4.48Å; Q36-L41 HydrophobicContact CB-CG 4.32Å; S37-L41 WeakPolarHBondContact O-CB 3.41Å; S37-L41 PolarHBondContact O-N 3.05Å; E39-L41 VanDerWaalsContact C-N 3.35Å; L41-G44 CarbonylContact O-C 3.51Å; L41-G44 PolarHBondContact O-N 3.45Å; L41-G44 VanDerWaalsContact O-N 3.13Å; L41-L45 HydrophobicContact CD2-CD1 4.29Å; L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 WeakPolarHBondContact O-CD1 3.46Å; L41-L45 PolarHBondContact O-N 3.25Å
42A45.8Very low46.5Very low53 Ų5377.6 Ų77.644%0.43843%0.428SS..Hα-helixtrans-61-46.7175.600000110.7T38 E39 G44 L45 T46T38-A42 VanDerWaalsContact O-CB 3.27Å; T38-A42 WeakPolarHBondContact O-CB 3.22Å; T38-A42 PolarHBondContact O-N 2.68Å; E39-A42 PolarHBondContact O-N 3.25Å; A42-G44 VanDerWaalsContact C-N 3.29Å; A42-G44 PolarHBondContact O-N 3.31Å; A42-L45 PolarHBondContact O-N 3.28Å; A42-T46 WeakPolarHBondContact O-CG2 3.45Å; A42-T46 PolarHBondContact O-N 3.23Å; A42-T46 PolarHBondContact O-OG1 2.93Å
43A48.8Very low47Very low12 Ų1281.3 Ų81.310%0.09942%0.423CS..Hα-helixtrans-60.8-37.2172.300000112.6E39 T46 V47 V472E39-A43 WeakPolarHBondContact O-CB 3.34Å; E39-A43 PolarHBondContact O-N 3.07Å; A43-T46 VanDerWaalsContact CA-OG1 3.3Å; A43-T46 WeakPolarHBondContact CA-OG1 3.46Å; A43-T46 PolarHBondContact O-OG1 3.23Å; A43-V47 WeakPolarHBondContact O-CB 3.44Å; A43-V47 WeakPolarHBondContact O-CG2 3.46Å; A43-V47 PolarHBondContact O-N 2.87Å; A43-V472 HydrophobicContact CB-CG1 3.39Å
44G52.1Low47.5Very low4 Ų473 Ų734%0.04139%0.389CS..Hα-helixtrans-68.7-41.7177.200000112.3E40 L41 A42 Q48E40-G44 WeakPolarHBondContact O-CA 3.27Å; E40-G44 PolarHBondContact O-N 3.02Å; L41-G44 CarbonylContact O-C 3.51Å; L41-G44 PolarHBondContact O-N 3.45Å; L41-G44 VanDerWaalsContact O-N 3.13Å; A42-G44 VanDerWaalsContact C-N 3.29Å; A42-G44 PolarHBondContact O-N 3.31Å; G44-Q48 VanDerWaalsContact O-CB 3.24Å; G44-Q48 WeakPolarHBondContact O-CB 3.34Å; G44-Q48 WeakPolarHBondContact O-CG 3.35Å; G44-Q48 PolarHBondContact O-N 2.83Å
45L54.7Low48.2Very low100 Ų10065.9 Ų65.952%0.52435%0.353SS..Hα-helixtrans-65.5-42.9173.7-87.2141.7000111.3L41 A42 Q48 T49L41-L45 HydrophobicContact CD2-CD1 4.29Å; L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 WeakPolarHBondContact O-CD1 3.46Å; L41-L45 PolarHBondContact O-N 3.25Å; A42-L45 PolarHBondContact O-N 3.28Å; L45-Q48 PolarHBondContact O-N 3.4Å; L45-T49 WeakPolarHBondContact O-CG2 3.48Å; L45-T49 PolarHBondContact O-N 3.11Å; L45-T49 PolarHBondContact O-OG1 3.49Å
46T53.9Low48.9Very low58 Ų5859.1 Ų59.136%0.35632%0.324SS..Hα-helixtrans-68.5-4317657.60000111.8A42 A43 Q48 T49 E50 Y451A42-T46 WeakPolarHBondContact O-CG2 3.45Å; A42-T46 PolarHBondContact O-N 3.23Å; A42-T46 PolarHBondContact O-OG1 2.93Å; A43-T46 VanDerWaalsContact CA-OG1 3.3Å; A43-T46 WeakPolarHBondContact CA-OG1 3.46Å; A43-T46 PolarHBondContact O-OG1 3.23Å; T46-Q48 VanDerWaalsContact C-N 3.29Å; T46-Q48 PolarHBondContact O-N 3.46Å; T46-T49 WeakPolarHBondContact CA-OG1 3.42Å; T46-T49 PolarHBondContact O-N 3.12Å; T46-T49 PolarHBondContact O-OG1 3.34Å; T46-E50 WeakPolarHBondContact O-CB 3.22Å; T46-E50 WeakPolarHBondContact O-CG 3.49Å; T46-E50 PolarHBondContact O-N 3.05Å; T46-Y451 PolarHBondContact OG1-OH 2.87Å
47V53.7Low49.6Very low2 Ų257 Ų571%0.01232%0.315CS..Hα-helixtrans-63.1-39174.1172.90000109.9A43 E50 S51 Y451 L463 L508A43-V47 WeakPolarHBondContact O-CB 3.44Å; A43-V47 WeakPolarHBondContact O-CG2 3.46Å; A43-V47 PolarHBondContact O-N 2.87Å; V47-E50 CarbonylContact O-C 3.55Å; V47-E50 PolarHBondContact O-N 3.07Å; V47-S51 WeakPolarHBondContact O-CA 3.37Å; V47-S51 WeakPolarHBondContact O-CB 3.45Å; V47-S51 PolarHBondContact O-N 3.23Å; V47-S51 PolarHBondContact O-OG 3.32Å; V47-Y451 HydrophobicContact CB-CE2 4.49Å; V47-Y451 HydrophobicContact CG2-CD1 4.29Å; V47-Y451 HydrophobicContact CG2-CD2 4.41Å; V47-Y451 HydrophobicContact CG2-CE1 3.66Å; V47-Y451 HydrophobicContact CG2-CE2 3.83Å; V47-Y451 VanDerWaalsContact CG2-CZ 3.43Å; V47-L463 HydrophobicContact CG2-CD2 4.49Å; V47-L508 HydrophobicContact CG1-CB 3.88Å; V47-L508 WeakPolarHBondContact CG1-O 3.48Å
48Q52Low49.8Very low112 Ų11255 Ų5552%0.52330%0.301SS..Hα-helixtrans-64.7-47.1175.5-81.7-176.5-10.400112.9G44 L45 T46 E50 S51 A509G44-Q48 VanDerWaalsContact O-CB 3.24Å; G44-Q48 WeakPolarHBondContact O-CB 3.34Å; G44-Q48 WeakPolarHBondContact O-CG 3.35Å; G44-Q48 PolarHBondContact O-N 2.83Å; L45-Q48 PolarHBondContact O-N 3.4Å; T46-Q48 VanDerWaalsContact C-N 3.29Å; T46-Q48 PolarHBondContact O-N 3.46Å; Q48-E50 VanDerWaalsContact C-N 3.29Å; Q48-E50 PolarHBondContact O-N 3.05Å; Q48-S51 PolarHBondContact O-N 2.94Å; Q48-S51 PolarHBondContact O-OG 3.15Å; Q48-A509 HydrophobicContact CG-CB 3.37Å
49T52.4Low50.4Low94 Ų9451.1 Ų51.158%0.57728%0.278SS*.Hα-helixtrans-66-34.4177.448.60000111.7L45 T46L45-T49 WeakPolarHBondContact O-CG2 3.48Å; L45-T49 PolarHBondContact O-N 3.11Å; L45-T49 PolarHBondContact O-OG1 3.49Å; T46-T49 WeakPolarHBondContact CA-OG1 3.42Å; T46-T49 PolarHBondContact O-N 3.12Å; T46-T49 PolarHBondContact O-OG1 3.34Å
50E54.1Low50.3Low19 Ų1944.8 Ų44.89%0.08925%0.249CC..Hα-helixtrans-90.8-5.9179.9-61178.7159.300113.8T46 V47 Q48 G52 K161 N448 Y451T46-E50 WeakPolarHBondContact O-CB 3.22Å; T46-E50 WeakPolarHBondContact O-CG 3.49Å; T46-E50 PolarHBondContact O-N 3.05Å; V47-E50 CarbonylContact O-C 3.55Å; V47-E50 PolarHBondContact O-N 3.07Å; Q48-E50 VanDerWaalsContact C-N 3.29Å; Q48-E50 PolarHBondContact O-N 3.05Å; E50-G52 PolarHBondContact O-N 2.72Å; E50-K161 IonicContact OE1-NZ 2.63Å; E50-K161 PolarHBondContact OE1-NZ 2.87Å; E50-N448 WeakPolarHBondContact O-CB 3.22Å; E50-N448 PolarHBondContact O-ND2 2.89Å; E50-Y451 HydrophobicContact CB-CE2 4.33Å; E50-Y451 WeakPolarHBondContact OE2-CE2 3.49Å; E50-Y451 PolarHBondContact OE2-OH 2.99Å
51S45.7Very low50.3Low18 Ų1844.2 Ų44.213%0.12625%0.253CS..THydrogen-bonded Turntrans-73.6-9.317862.40000113.4V47 Q48 N490 G491V47-S51 WeakPolarHBondContact O-CA 3.37Å; V47-S51 WeakPolarHBondContact O-CB 3.45Å; V47-S51 PolarHBondContact O-N 3.23Å; V47-S51 PolarHBondContact O-OG 3.32Å; Q48-S51 PolarHBondContact O-N 2.94Å; Q48-S51 PolarHBondContact O-OG 3.15Å; S51-N490 VanDerWaalsContact O-O 3.07Å; S51-G491 WeakPolarHBondContact CB-O 3.28Å
52G47.4Very low50.6Low36 Ų3641.4 Ų41.437%0.37124%0.24SC..SBendtrans-76168.3171.600000113E50 A54E50-G52 PolarHBondContact O-N 2.72Å; G52-A54 PolarHBondContact O-N 3.32Å
53Y42.6Very low51.3Low173 Ų17347.2 Ų47.268%0.67826%0.258SS*.THydrogen-bonded Turntrans-58.32.9172.8-66.9-85.1000114.8I56Y53-I56 WeakPolarHBondContact O-CD1 3.43Å
54A43.1Very low51.9Low17 Ų1749.3 Ų49.314%0.1427%0.271CS..THydrogen-bonded Turntrans-95.7-7.6-158.300000115.7G52 V196 E197G52-A54 PolarHBondContact O-N 3.32Å; A54-V196 CarbonylContact C-O 3.56Å; A54-V196 VanDerWaalsContact C-O 3.31Å; A54-V196 VanDerWaalsContact CA-O 3.31Å; A54-V196 WeakPolarHBondContact CA-O 3.47Å; A54-V196 CarbonylContact O-C 3.46Å; A54-V196 PolarHBondContact O-N 3.06Å; A54-E197 HydrophobicContact CB-CG 4.18Å
55N52.5Low52.9Low14 Ų1451.9 Ų51.98%0.07528%0.283CS..  trans-141.276.3-176.7-73.3-40.1000111.1Q195 N448 N450N55-Q195 WeakPolarHBondContact OD1-CA 3.14Å; N55-N448 CarbonylContact O-C 3.56Å; N55-N448 WeakPolarHBondContact O-CA 3.16Å; N55-N448 VanDerWaalsContact O-CB 3.26Å; N55-N448 WeakPolarHBondContact O-CB 3.49Å; N55-N450 PolarHBondContact O-ND2 2.93Å
56I53.4Low53.8Low34 Ų3448.6 Ų48.617%0.17427%0.268CS..  trans-94.4-17.4-170.7-64.1166.8000113.1Y53 S58 C406 N448 S449Y53-I56 WeakPolarHBondContact O-CD1 3.43Å; I56-S58 PolarHBondContact O-N 3.36Å; I56-C406 HydrophobicContact CG2-CB 3.8Å; I56-N448 CarbonylContact C-O 3.47Å; I56-N448 WeakPolarHBondContact CA-O 3.45Å; I56-S449 WeakPolarHBondContact O-CB 3.45Å; I56-S449 PolarHBondContact O-OG 3.34Å
57V55.4Low55Low16 Ų1652.8 Ų52.810%0.09728%0.284CS..  trans-92.9101.5-178.6-174.20000108.9L175 L178 C187 L190 S191 L408V57-L175 HydrophobicContact CG2-CD2 4.33Å; V57-L178 HydrophobicContact CG2-CD1 4.19Å; V57-C187 HydrophobicContact CG1-CB 3.96Å; V57-L190 HydrophobicContact CG1-CB 4.37Å; V57-S191 WeakPolarHBondContact O-CA 3.37Å; V57-S191 WeakPolarHBondContact O-CB 3.46Å; V57-S191 PolarHBondContact O-OG 3.48Å; V57-L408 HydrophobicContact CG1-CD1 4.09Å
58S52.7Low56.4Low0 Ų055.4 Ų55.40%030%0.295CS..  trans-80.4151.2162.5162.90000109.5I56 S191 Y409 S449 N450 T466I56-S58 PolarHBondContact O-N 3.36Å; S58-S191 WeakPolarHBondContact CA-OG 3.29Å; S58-Y409 WeakPolarHBondContact O-CE2 3.49Å; S58-Y409 PolarHBondContact O-OH 3.03Å; S58-S449 WeakPolarHBondContact CB-O 3.27Å; S58-S449 PolarHBondContact OG-O 3Å; S58-N450 WeakPolarHBondContact CA-OD1 3.4Å; S58-N450 WeakPolarHBondContact CB-OD1 3.4Å; S58-T466 WeakPolarHBondContact CB-OG1 3.31Å; S58-T466 VanDerWaalsContact OG-CB 3.3Å; S58-T466 WeakPolarHBondContact OG-CB 3.3Å; S58-T466 PolarHBondContact OG-OG1 2.92Å
59A52.2Low58Low5 Ų550.1 Ų50.14%0.04127%0.271CS..  trans-139.5134.8168.800000111.2C187 R188 S191 Y409A59-C187 HydrophobicContact CB-CB 4.32Å; A59-C187 WeakPolarHBondContact CB-O 3.39Å; A59-R188 HydrophobicContact CB-CB 3.88Å; A59-S191 PolarHBondContact N-OG 3.34Å; A59-Y409 WeakPolarHBondContact CA-OH 3.33Å
60A47.1Very low59.6Low3 Ų347.4 Ų47.43%0.02525%0.252CS..  trans-71.1152.9169.800000110.3C62 L421 L430A60-C62 PolarHBondContact O-N 3.24Å; A60-L421 HydrophobicContact CB-CD2 4.43Å; A60-L430 HydrophobicContact CB-CB 3.93Å; A60-L430 HydrophobicContact CB-CD1 3.54Å; A60-L430 HydrophobicContact CB-CD2 4.26Å; A60-L430 HydrophobicContact CB-CG 4.15Å
61P49Very low61.2Low81 Ų8150.3 Ų50.353%0.52627%0.27SS..  trans-59.9104.8172.2-16.228.3000108.8R431P61-R431 VanDerWaalsContact CD-NH2 3.31Å
62C53.6Low63.3Low18 Ų1849.7 Ų49.712%0.12227%0.266CS..  trans-92139.9168.1-680000107.8A60A60-C62 PolarHBondContact O-N 3.24Å
63Q60.4Low65.4Low176 Ų17648 Ų4882%0.82225%0.248SC*.  trans-60.8139.4172.1-70.6-149.7-16.600109.2D65Q63-D65 PolarHBondContact O-N 3.45Å
64P60.9Low67.7Low56 Ų5640.8 Ų40.836%0.36422%0.223SC..  trans-68.2103.6-179.327.4-33.8000109.6Y69 C109P64-Y69 WeakPolarHBondContact CA-OH 3.18Å; P64-Y69 WeakPolarHBondContact CB-OH 3.24Å; P64-C109 HydrophobicContact CB-CB 4.38Å; P64-C109 WeakPolarHBondContact CB-SG 3.36Å; P64-C109 HydrophobicContact CG-CB 4.23Å; P64-C109 WeakPolarHBondContact CG-SG 3.35Å
65D74.3Confident70Confident58 Ų5844.4 Ų44.431%0.3123%0.233SC..  trans-104.2108.2171.7-176-4.8000109.7Q63 Q67 Q68 Y69Q63-D65 PolarHBondContact O-N 3.45Å; D65-Q67 PolarHBondContact O-N 2.89Å; D65-Q67 PolarHBondContact OD1-N 3.31Å; D65-Q68 HydrophobicContact CB-CB 4.11Å; D65-Q68 HydrophobicContact CB-CG 3.91Å; D65-Q68 WeakPolarHBondContact O-CB 3.4Å; D65-Q68 PolarHBondContact O-N 3.46Å; D65-Q68 VanDerWaalsContact O-N 3.13Å; D65-Q68 WeakPolarHBondContact OD2-CG 3.29Å; D65-Y69 WeakPolarHBondContact O-CD1 3.3Å; D65-Y69 WeakPolarHBondContact O-CE1 3.16Å; D65-Y69 PolarHBondContact O-N 3.4Å
66P72.7Confident71.8Confident30 Ų3043.9 Ų43.920%0.19523%0.23CC..Hα-helixtrans-61.6-29-177.720-28.6000113.5Y69 E70 M106 L111 A114P66-Y69 PolarHBondContact O-N 3.21Å; P66-E70 PolarHBondContact O-N 2.98Å; P66-M106 HydrophobicContact CB-SD 4.26Å; P66-L111 HydrophobicContact CB-CD1 4.06Å; P66-L111 HydrophobicContact CG-CD1 3.75Å; P66-L111 HydrophobicContact CG-CD2 4.32Å; P66-A114 HydrophobicContact CB-CB 3.43Å; P66-A114 VanDerWaalsContact CB-CB 3.43Å; P66-A114 HydrophobicContact CG-CB 4.14Å
67Q79Confident73.5Confident147 Ų14746.5 Ų46.569%0.68724%0.237SC*.Hα-helixtrans-68.8-38.5177.3-67.7-170.5-11.800111.2D65 Y69 V71D65-Q67 PolarHBondContact O-N 2.89Å; D65-Q67 PolarHBondContact OD1-N 3.31Å; Q67-Y69 VanDerWaalsContact C-N 3.3Å; Q67-Y69 PolarHBondContact O-N 2.98Å; Q67-V71 WeakPolarHBondContact O-CB 3.32Å; Q67-V71 VanDerWaalsContact O-CG2 3.3Å; Q67-V71 WeakPolarHBondContact O-CG2 3.39Å; Q67-V71 PolarHBondContact O-N 3.3Å; Q67-V71 VanDerWaalsContact O-N 3.11Å
68Q83.1Confident75.2Confident56 Ų5648.7 Ų48.726%0.26225%0.253SS..Hα-helixtrans-64.4-37175.7-69.8-178.8-6.400111.6D65 V71 Q72D65-Q68 HydrophobicContact CB-CB 4.11Å; D65-Q68 HydrophobicContact CB-CG 3.91Å; D65-Q68 WeakPolarHBondContact O-CB 3.4Å; D65-Q68 PolarHBondContact O-N 3.46Å; D65-Q68 VanDerWaalsContact O-N 3.13Å; D65-Q68 WeakPolarHBondContact OD2-CG 3.29Å; Q68-V71 PolarHBondContact O-N 3Å; Q68-Q72 WeakPolarHBondContact O-CB 3.13Å; Q68-Q72 WeakPolarHBondContact O-CG 3.32Å; Q68-Q72 PolarHBondContact O-N 3.08Å
69Y85.3Confident76.8Confident1 Ų151.6 Ų51.60%0.00427%0.265CS..Hα-helixtrans-64.8-46.9-178.1-66.89.8000110.9P64 D65 P66 Q67 F73 L102 D105 M106 A185 R188P64-Y69 WeakPolarHBondContact CA-OH 3.18Å; P64-Y69 WeakPolarHBondContact CB-OH 3.24Å; D65-Y69 WeakPolarHBondContact O-CD1 3.3Å; D65-Y69 WeakPolarHBondContact O-CE1 3.16Å; D65-Y69 PolarHBondContact O-N 3.4Å; P66-Y69 PolarHBondContact O-N 3.21Å; Q67-Y69 VanDerWaalsContact C-N 3.3Å; Q67-Y69 PolarHBondContact O-N 2.98Å; Y69-F73 WeakPolarHBondContact O-CB 3.45Å; Y69-F73 PolarHBondContact O-N 2.75Å; Y69-L102 HydrophobicContact CD2-CB 4.45Å; Y69-L102 HydrophobicContact CD2-CD2 4.11Å; Y69-L102 HydrophobicContact CE2-CD2 4.42Å; Y69-L102 HydrophobicContact CG-CD2 4.16Å; Y69-D105 HydrophobicContact CE2-CB 4.46Å; Y69-D105 WeakPolarHBondContact CE2-OD2 3.48Å; Y69-D105 VanDerWaalsContact CZ-OD2 3.29Å; Y69-D105 PolarHBondContact OH-OD2 3.29Å; Y69-M106 HydrophobicContact CD2-CE 4.43Å; Y69-M106 HydrophobicContact CD2-CG 3.45Å; Y69-M106 VanDerWaalsContact CD2-CG 3.45Å; Y69-M106 HydrophobicContact CD2-SD 3.83Å; Y69-M106 HydrophobicContact CE2-CG 3.64Å; Y69-A185 HydrophobicContact CD1-CB 3.43Å; Y69-A185 VanDerWaalsContact CD1-CB 3.43Å; Y69-A185 HydrophobicContact CE1-CB 3.61Å; Y69-A185 HydrophobicContact CG-CB 4.47Å; Y69-R188 PolarHBondContact OH-NH1 3.2Å; Y69-R188 PolarHBondContact OH-NH2 2.91Å
70E86.4Confident78.5Confident38 Ų3851.8 Ų51.818%0.17827%0.266CS..Hα-helixtrans-64.7-45179.1-175.6172.4178.900112P66 S74 F118 R121 F122P66-E70 PolarHBondContact O-N 2.98Å; E70-S74 VanDerWaalsContact O-CB 3.28Å; E70-S74 WeakPolarHBondContact O-CB 3.34Å; E70-S74 PolarHBondContact O-N 3.24Å; E70-S74 PolarHBondContact O-OG 2.84Å; E70-F118 HydrophobicContact CB-CD2 4.23Å; E70-R121 WeakPolarHBondContact OE1-CD 3.36Å; E70-R121 IonicContact OE1-CZ 3.63Å; E70-R121 IonicContact OE1-NE 2.79Å; E70-R121 IonicContact OE1-NH1 3.59Å; E70-R121 PolarHBondContact OE1-NH1 3.11Å; E70-F122 HydrophobicContact CG-CE2 4.03Å; E70-F122 HydrophobicContact CG-CZ 4.11Å
71V89.2Confident80.3Confident79 Ų7955.8 Ų55.848%0.47929%0.294SS..Hα-helixtrans-67.3-47.8-179.9171.40000111.6Q67 Q68 S74 R75Q67-V71 WeakPolarHBondContact O-CB 3.32Å; Q67-V71 VanDerWaalsContact O-CG2 3.3Å; Q67-V71 WeakPolarHBondContact O-CG2 3.39Å; Q67-V71 PolarHBondContact O-N 3.3Å; Q67-V71 VanDerWaalsContact O-N 3.11Å; Q68-V71 PolarHBondContact O-N 3Å; V71-S74 PolarHBondContact O-N 3.05Å; V71-R75 WeakPolarHBondContact O-CB 3.34Å; V71-R75 PolarHBondContact O-N 3.32Å
72Q89.1Confident81.6Confident6 Ų659.3 Ų59.33%0.02830%0.303CS..Hα-helixtrans-66.1-44.3-178.8-69.8178.714.400110.9Q68 R75 L76 D182 I186Q68-Q72 WeakPolarHBondContact O-CB 3.13Å; Q68-Q72 WeakPolarHBondContact O-CG 3.32Å; Q68-Q72 PolarHBondContact O-N 3.08Å; Q72-R75 PolarHBondContact O-N 2.92Å; Q72-L76 PolarHBondContact O-N 3.48Å; Q72-D182 VanDerWaalsContact CD-O 3.28Å; Q72-D182 WeakPolarHBondContact CG-O 3.36Å; Q72-D182 PolarHBondContact NE2-O 3.26Å; Q72-I186 HydrophobicContact CB-CD1 3.83Å; Q72-I186 HydrophobicContact CB-CG1 4.09Å
73F90.9Very high82.4Confident1 Ų160.3 Ų60.30%0.00431%0.309CS..Hα-helixtrans-63.9-42177.4-173.3-96000112.2Y69 R75 L76 R77 L95 L98 F99 L102 F118 F122 F126Y69-F73 WeakPolarHBondContact O-CB 3.45Å; Y69-F73 PolarHBondContact O-N 2.75Å; F73-R75 VanDerWaalsContact C-N 3.34Å; F73-R75 PolarHBondContact O-N 3.33Å; F73-L76 PolarHBondContact O-N 3.42Å; F73-R77 WeakPolarHBondContact O-CB 3.2Å; F73-R77 PolarHBondContact O-N 3.07Å; F73-L95 HydrophobicContact CE2-CD2 4.18Å; F73-L95 HydrophobicContact CZ-CD2 4.34Å; F73-L98 HydrophobicContact CD2-CB 4.45Å; F73-L98 HydrophobicContact CE2-CB 4.11Å; F73-F99 HydrophobicContact CE2-CB 4.1Å; F73-F99 HydrophobicContact CZ-CB 3.86Å; F73-F99 HydrophobicContact CZ-CD2 4.49Å; F73-L102 HydrophobicContact CB-CD1 4.17Å; F73-L102 HydrophobicContact CD2-CD1 3.9Å; F73-L102 HydrophobicContact CG-CD1 4.37Å; F73-F118 HydrophobicContact CB-CE2 4.08Å; F73-F118 HydrophobicContact CB-CZ 4.32Å; F73-F118 HydrophobicContact CD1-CE2 4.26Å; F73-F118 HydrophobicContact CD1-CZ 4.13Å; F73-F118 HydrophobicContact CD2-CZ 4.5Å; F73-F118 HydrophobicContact CG-CE2 4.23Å; F73-F118 HydrophobicContact CG-CZ 4.06Å; F73-F122 AromaticContact CD1-CD1 3.8Å; F73-F122 HydrophobicContact CD1-CD1 3.8Å; F73-F122 AromaticContact CD1-CD2 3.9Å; F73-F122 HydrophobicContact CD1-CD2 3.9Å; F73-F122 AromaticContact CD1-CE1 3.91Å; F73-F122 HydrophobicContact CD1-CE1 3.91Å; F73-F122 HydrophobicContact CD1-CE2 4.03Å; F73-F122 AromaticContact CD1-CG 3.81Å; F73-F122 HydrophobicContact CD1-CG 3.81Å; F73-F122 HydrophobicContact CD1-CZ 4.04Å; F73-F122 HydrophobicContact CE1-CB 3.96Å; F73-F122 AromaticContact CE1-CD1 3.75Å; F73-F122 HydrophobicContact CE1-CD1 3.75Å; F73-F122 HydrophobicContact CE1-CD2 4.16Å; F73-F122 HydrophobicContact CE1-CE1 4.31Å; F73-F122 AromaticContact CE1-CG 3.68Å; F73-F122 HydrophobicContact CE1-CG 3.68Å; F73-F126 HydrophobicContact CZ-CE2 4.28Å; F73-F126 HydrophobicContact CZ-CZ 4.02Å
74S90.9Very high82.9Confident20 Ų2061.9 Ų61.914%0.1432%0.316CS..Hα-helixtrans-58.6-46.7174.4-61.50000111.6E70 V71 R77 C78 F122E70-S74 VanDerWaalsContact O-CB 3.28Å; E70-S74 WeakPolarHBondContact O-CB 3.34Å; E70-S74 PolarHBondContact O-N 3.24Å; E70-S74 PolarHBondContact O-OG 2.84Å; V71-S74 PolarHBondContact O-N 3.05Å; S74-R77 PolarHBondContact O-N 3.18Å; S74-C78 WeakPolarHBondContact O-CB 3.26Å; S74-C78 PolarHBondContact O-N 2.85Å; S74-C78 PolarHBondContact O-SG 3.41Å; S74-C78 VanDerWaalsContact O-SG 3.39Å; S74-F122 WeakPolarHBondContact OG-CZ 3.46Å
75R91.4Very high83.8Confident94 Ų9462.3 Ų62.336%0.35532%0.315SS..Hα-helixtrans-62.4-45.6-178.7-168.3-174.4-52.7-169.75.4111.7V71 Q72 F73 R77 C78 F79 Y177 D181V71-R75 WeakPolarHBondContact O-CB 3.34Å; V71-R75 PolarHBondContact O-N 3.32Å; Q72-R75 PolarHBondContact O-N 2.92Å; F73-R75 VanDerWaalsContact C-N 3.34Å; F73-R75 PolarHBondContact O-N 3.33Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-R77 PolarHBondContact O-N 3.43Å; R75-C78 PolarHBondContact O-N 3.35Å; R75-F79 VanDerWaalsContact O-CB 3.31Å; R75-F79 WeakPolarHBondContact O-CB 3.22Å; R75-F79 PolarHBondContact O-N 2.78Å; R75-Y177 WeakPolarHBondContact CB-OH 3.4Å; R75-Y177 WeakPolarHBondContact CG-OH 3.27Å; R75-D181 IonicContact CZ-OD2 3.66Å; R75-D181 IonicContact NH1-OD1 3.75Å; R75-D181 PolarHBondContact NH1-OD1 3.05Å; R75-D181 IonicContact NH1-OD2 3.76Å; R75-D181 PolarHBondContact NH1-OD2 3.13Å
76L90.2Very high84Confident2 Ų263 Ų631%0.0132%0.324CS..Hα-helixtrans-61.5-45.4177.2176.666.1000110.6Q72 F73 F79 L80 L95 L98 Y177 I186Q72-L76 PolarHBondContact O-N 3.48Å; F73-L76 PolarHBondContact O-N 3.42Å; L76-F79 PolarHBondContact O-N 2.98Å; L76-L80 HydrophobicContact CD1-CD1 3.95Å; L76-L80 HydrophobicContact CD1-CG 4.18Å; L76-L80 HydrophobicContact CG-CD1 4Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 2.82Å; L76-L95 HydrophobicContact CD2-CD2 3.99Å; L76-L95 HydrophobicContact CG-CD2 4.12Å; L76-L98 HydrophobicContact CD2-CD1 3.8Å; L76-Y177 WeakPolarHBondContact CA-OH 3.48Å; L76-Y177 HydrophobicContact CB-CE1 4Å; L76-Y177 HydrophobicContact CD1-CD1 3.66Å; L76-Y177 HydrophobicContact CD1-CE1 3.52Å; L76-Y177 HydrophobicContact CD1-CG 4.28Å; L76-Y177 HydrophobicContact CG-CE1 4.32Å; L76-Y177 PolarHBondContact N-OH 2.93Å; L76-I186 HydrophobicContact CB-CD1 3.97Å; L76-I186 HydrophobicContact CD2-CD1 4.08Å; L76-I186 HydrophobicContact CD2-CG2 4.42Å
77R90.3Very high84.6Confident89 Ų8966 Ų6634%0.33633%0.332SS..Hα-helixtrans-61.8-47178.5-178.6-178.2167.3-174.7-3.7111.8F73 S74 R75 L80 S81 L95F73-R77 WeakPolarHBondContact O-CB 3.2Å; F73-R77 PolarHBondContact O-N 3.07Å; S74-R77 PolarHBondContact O-N 3.18Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-R77 PolarHBondContact O-N 3.43Å; R77-L80 PolarHBondContact O-N 3.23Å; R77-S81 WeakPolarHBondContact O-CB 3.43Å; R77-S81 PolarHBondContact O-N 2.98Å; R77-S81 PolarHBondContact O-OG 3.29Å; R77-L95 HydrophobicContact CB-CD2 4.35Å; R77-L95 HydrophobicContact CG-CD1 4.35Å
78C89.6Confident84.8Confident62 Ų6259.1 Ų59.142%0.41930%0.3SS..Hα-helixtrans-58.7-49.7177-74.60000111S74 R75 L80 S81 E82S74-C78 WeakPolarHBondContact O-CB 3.26Å; S74-C78 PolarHBondContact O-N 2.85Å; S74-C78 PolarHBondContact O-SG 3.41Å; S74-C78 VanDerWaalsContact O-SG 3.39Å; R75-C78 PolarHBondContact O-N 3.35Å; C78-L80 VanDerWaalsContact C-N 3.29Å; C78-L80 PolarHBondContact O-N 3.22Å; C78-S81 WeakPolarHBondContact CA-OG 3.4Å; C78-S81 PolarHBondContact O-N 3.35Å; C78-S81 PolarHBondContact O-OG 2.79Å; C78-E82 WeakPolarHBondContact O-CB 3.41Å; C78-E82 WeakPolarHBondContact O-CG 3.38Å; C78-E82 PolarHBondContact O-N 2.7Å
79F88.2Confident84.8Confident61 Ų6163.8 Ų63.827%0.26832%0.322SS..Hα-helixtrans-54.9-43177.9175.6-105.6000112.8R75 L76 T83 Y173 Y177R75-F79 VanDerWaalsContact O-CB 3.31Å; R75-F79 WeakPolarHBondContact O-CB 3.22Å; R75-F79 PolarHBondContact O-N 2.78Å; L76-F79 PolarHBondContact O-N 2.98Å; F79-T83 PolarHBondContact O-OG1 3.31Å; F79-Y173 HydrophobicContact CD1-CE1 4.41Å; F79-Y173 HydrophobicContact CE1-CD1 4.28Å; F79-Y173 AromaticContact CE1-CE1 3.43Å; F79-Y173 HydrophobicContact CE1-CE1 3.43Å; F79-Y173 VanDerWaalsContact CE1-CE1 3.43Å; F79-Y173 HydrophobicContact CE1-CE2 4.37Å; F79-Y173 AromaticContact CE1-CZ 3.5Å; F79-Y173 VanDerWaalsContact CE1-CZ 3.5Å; F79-Y173 WeakPolarHBondContact CE1-OH 3.34Å; F79-Y173 AromaticContact CZ-CE1 3.81Å; F79-Y173 HydrophobicContact CZ-CE1 3.81Å; F79-Y173 AromaticContact CZ-CE2 3.91Å; F79-Y173 HydrophobicContact CZ-CE2 3.91Å; F79-Y173 AromaticContact CZ-CZ 3.33Å; F79-Y173 WeakPolarHBondContact CZ-OH 3.37Å; F79-Y177 HydrophobicContact CB-CD2 4.12Å; F79-Y177 HydrophobicContact CB-CE2 3.77Å; F79-Y177 AromaticContact CD1-CD2 3.31Å; F79-Y177 HydrophobicContact CD1-CD2 3.31Å; F79-Y177 AromaticContact CD1-CE2 3.84Å; F79-Y177 HydrophobicContact CD1-CE2 3.84Å; F79-Y177 AromaticContact CD1-CG 3.93Å; F79-Y177 HydrophobicContact CD1-CG 3.93Å; F79-Y177 AromaticContact CD2-CD2 3.97Å; F79-Y177 HydrophobicContact CD2-CD2 3.97Å; F79-Y177 HydrophobicContact CD2-CE2 4.29Å; F79-Y177 AromaticContact CE1-CD2 3.55Å; F79-Y177 HydrophobicContact CE1-CD2 3.55Å; F79-Y177 AromaticContact CE1-CG 3.92Å; F79-Y177 HydrophobicContact CE1-CG 3.92Å; F79-Y177 HydrophobicContact CE2-CD2 4.18Å; F79-Y177 AromaticContact CG-CD2 3.52Å; F79-Y177 HydrophobicContact CG-CD2 3.52Å; F79-Y177 AromaticContact CG-CE2 3.71Å; F79-Y177 HydrophobicContact CG-CE2 3.71Å; F79-Y177 AromaticContact CZ-CD2 3.98Å; F79-Y177 HydrophobicContact CZ-CD2 3.98Å
80L87.4Confident84.8Confident9 Ų966.9 Ų66.95%0.04734%0.337CS..Hα-helixtrans-73.7-29.7178.3-65174.1000113.1L76 R77 C78 A88 V91 L95 Y173L76-L80 HydrophobicContact CD1-CD1 3.95Å; L76-L80 HydrophobicContact CD1-CG 4.18Å; L76-L80 HydrophobicContact CG-CD1 4Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 2.82Å; R77-L80 PolarHBondContact O-N 3.23Å; C78-L80 VanDerWaalsContact C-N 3.29Å; C78-L80 PolarHBondContact O-N 3.22Å; L80-A88 HydrophobicContact CD2-CB 4.23Å; L80-V91 HydrophobicContact CD1-CG1 3.99Å; L80-V91 HydrophobicContact CD2-CB 3.86Å; L80-V91 HydrophobicContact CD2-CG1 3.64Å; L80-V91 HydrophobicContact CG-CG1 4.47Å; L80-L95 HydrophobicContact CD1-CD1 4.12Å; L80-L95 HydrophobicContact CD1-CD2 4.06Å; L80-L95 HydrophobicContact CD1-CG 4.05Å; L80-Y173 HydrophobicContact CD2-CE1 4.28Å
81S83.9Confident84.8Confident88 Ų8865.1 Ų65.162%0.61533%0.328SS*.Hα-helixtrans-81.1-26.9179.966.50000114.3R77 C78R77-S81 WeakPolarHBondContact O-CB 3.43Å; R77-S81 PolarHBondContact O-N 2.98Å; R77-S81 PolarHBondContact O-OG 3.29Å; C78-S81 WeakPolarHBondContact CA-OG 3.4Å; C78-S81 PolarHBondContact O-N 3.35Å; C78-S81 PolarHBondContact O-OG 2.79Å
82E77.2Confident84.8Confident155 Ų15563.3 Ų63.372%0.72432%0.319SS*.Hα-helixtrans-80.8-17.2-177.3-74.4175-170.300112.8C78C78-E82 WeakPolarHBondContact O-CB 3.41Å; C78-E82 WeakPolarHBondContact O-CG 3.38Å; C78-E82 PolarHBondContact O-N 2.7Å
83T70.3Confident84.7Confident39 Ų3965.7 Ų65.724%0.23934%0.337CS..  trans-105.2115.3-175.259.50000112.3F79 I85 A88 Y173F79-T83 PolarHBondContact O-OG1 3.31Å; T83-I85 HydrophobicContact CG2-CD1 4.27Å; T83-I85 PolarHBondContact O-N 2.89Å; T83-A88 VanDerWaalsContact OG1-CB 3.29Å; T83-A88 WeakPolarHBondContact OG1-CB 3.28Å; T83-Y173 WeakPolarHBondContact CG2-OH 3.48Å; T83-Y173 PolarHBondContact OG1-OH 3.11Å
84E69.7Low84.5Confident209 Ų20965.7 Ų65.798%0.97734%0.337SS*.  trans-75.150.2169.3-65.9-171.3169.400111.9
85I79.8Confident84.5Confident64 Ų6465.6 Ų65.633%0.32833%0.334SS..  trans-106.5131.3-179.2-58.4173.4000107.6T83 Y87 A88 Y173T83-I85 HydrophobicContact CG2-CD1 4.27Å; T83-I85 PolarHBondContact O-N 2.89Å; I85-Y87 HydrophobicContact CG2-CD2 3.61Å; I85-Y87 HydrophobicContact CG2-CE2 4.46Å; I85-Y87 HydrophobicContact CG2-CG 4.12Å; I85-Y87 PolarHBondContact O-N 3.01Å; I85-A88 HydrophobicContact CB-CB 4.34Å; I85-A88 WeakPolarHBondContact O-CB 3.46Å; I85-A88 PolarHBondContact O-N 2.54Å; I85-Y173 HydrophobicContact CD1-CE2 4.28Å
86S79.8Confident84.4Confident73 Ų7361.9 Ų61.951%0.5132%0.32SS..Hα-helixtrans-52.7-39.9178.152.60000112.5A88 Q89 E90S86-A88 VanDerWaalsContact C-N 3.29Å; S86-A88 PolarHBondContact O-N 2.88Å; S86-Q89 WeakPolarHBondContact O-CB 3.35Å; S86-Q89 PolarHBondContact O-N 3.43Å; S86-E90 PolarHBondContact O-N 3.47Å
87Y84.2Confident84.4Confident93 Ų9361.8 Ų61.837%0.36532%0.32SS..Hα-helixtrans-62.3-32176.3-51.2-45.2000113.5I85 Q89 E90 V91 P169 A170I85-Y87 HydrophobicContact CG2-CD2 3.61Å; I85-Y87 HydrophobicContact CG2-CE2 4.46Å; I85-Y87 HydrophobicContact CG2-CG 4.12Å; I85-Y87 PolarHBondContact O-N 3.01Å; Y87-Q89 VanDerWaalsContact C-N 3.3Å; Y87-Q89 PolarHBondContact O-N 2.8Å; Y87-E90 PolarHBondContact O-N 3.07Å; Y87-V91 WeakPolarHBondContact O-CG2 3.32Å; Y87-V91 PolarHBondContact O-N 3.3Å; Y87-P169 HydrophobicContact CD1-CB 3.96Å; Y87-P169 HydrophobicContact CD2-CB 4.46Å; Y87-P169 HydrophobicContact CE1-CB 3.54Å; Y87-P169 HydrophobicContact CE1-CG 4.1Å; Y87-P169 HydrophobicContact CE2-CB 4.09Å; Y87-P169 HydrophobicContact CG-CB 4.41Å; Y87-A170 HydrophobicContact CD1-CB 4.35Å
88A84.1Confident84.3Confident2 Ų257.6 Ų57.62%0.01730%0.304CS..Hα-helixtrans-68.3-32.1178.500000111.6L80 T83 I85 S86 V91 S92 Y173L80-A88 HydrophobicContact CD2-CB 4.23Å; T83-A88 VanDerWaalsContact OG1-CB 3.29Å; T83-A88 WeakPolarHBondContact OG1-CB 3.28Å; I85-A88 HydrophobicContact CB-CB 4.34Å; I85-A88 WeakPolarHBondContact O-CB 3.46Å; I85-A88 PolarHBondContact O-N 2.54Å; S86-A88 VanDerWaalsContact C-N 3.29Å; S86-A88 PolarHBondContact O-N 2.88Å; A88-V91 PolarHBondContact O-N 3.41Å; A88-S92 WeakPolarHBondContact O-CB 3.16Å; A88-S92 PolarHBondContact O-N 3.11Å; A88-S92 PolarHBondContact O-OG 3.34Å; A88-Y173 HydrophobicContact CB-CE1 4.24Å
89Q83.8Confident84.4Confident154 Ų15454.6 Ų54.672%0.7228%0.284SS*.Hα-helixtrans-66.8-41.3174.1-63.3-176.3-13.600111.5S86 Y87 S92S86-Q89 WeakPolarHBondContact O-CB 3.35Å; S86-Q89 PolarHBondContact O-N 3.43Å; Y87-Q89 VanDerWaalsContact C-N 3.3Å; Y87-Q89 PolarHBondContact O-N 2.8Å; Q89-S92 WeakPolarHBondContact O-CB 3.28Å; Q89-S92 PolarHBondContact O-N 3.07Å
90E85.4Confident84.5Confident66 Ų6651.7 Ų51.731%0.30827%0.272SS..Hα-helixtrans-62.4-48174.2-71-180-14600111.4S86 Y87 S92 S93 L166 T167 A170S86-E90 PolarHBondContact O-N 3.47Å; Y87-E90 PolarHBondContact O-N 3.07Å; E90-S92 PolarHBondContact O-N 3.08Å; E90-S93 VanDerWaalsContact O-CB 3.3Å; E90-S93 WeakPolarHBondContact O-CB 3.29Å; E90-S93 PolarHBondContact O-N 2.92Å; E90-S93 VanDerWaalsContact O-N 3.13Å; E90-S93 PolarHBondContact O-OG 3.29Å; E90-L166 HydrophobicContact CB-CD2 4.31Å; E90-T167 WeakPolarHBondContact OE2-CB 3.45Å; E90-T167 VanDerWaalsContact OE2-CG2 3.26Å; E90-T167 WeakPolarHBondContact OE2-CG2 3.4Å; E90-T167 PolarHBondContact OE2-N 2.68Å; E90-T167 PolarHBondContact OE2-OG1 2.95Å; E90-A170 HydrophobicContact CB-CB 4Å; E90-A170 WeakPolarHBondContact OE2-CB 3.26Å
91V86.4Confident84.5Confident1 Ų151.4 Ų51.41%0.00627%0.27CS..Hα-helixtrans-64.8-28.1178.7178.40000111.7L80 Y87 A88 S93 L94 A170 Y173 L174L80-V91 HydrophobicContact CD1-CG1 3.99Å; L80-V91 HydrophobicContact CD2-CB 3.86Å; L80-V91 HydrophobicContact CD2-CG1 3.64Å; L80-V91 HydrophobicContact CG-CG1 4.47Å; Y87-V91 WeakPolarHBondContact O-CG2 3.32Å; Y87-V91 PolarHBondContact O-N 3.3Å; A88-V91 PolarHBondContact O-N 3.41Å; V91-S93 PolarHBondContact O-N 2.6Å; V91-S93 VanDerWaalsContact O-N 3.15Å; V91-L94 HydrophobicContact CG1-CD1 4.11Å; V91-L94 VanDerWaalsContact O-CB 3.3Å; V91-L94 WeakPolarHBondContact O-CB 3.39Å; V91-L94 PolarHBondContact O-N 3.4Å; V91-A170 HydrophobicContact CG2-CB 4.13Å; V91-A170 WeakPolarHBondContact CG2-O 3.25Å; V91-Y173 HydrophobicContact CG2-CD1 4.43Å; V91-L174 HydrophobicContact CG1-CB 4.23Å; V91-L174 HydrophobicContact CG1-CD1 3.93Å; V91-L174 HydrophobicContact CG2-CB 4.21Å
92S87.4Confident84.7Confident41 Ų4147.3 Ų47.329%0.28724%0.241SC..Hα-helixtrans-61.5-20.9175.6-63.90000113.5A88 Q89 E90 L94 L95A88-S92 WeakPolarHBondContact O-CB 3.16Å; A88-S92 PolarHBondContact O-N 3.11Å; A88-S92 PolarHBondContact O-OG 3.34Å; Q89-S92 WeakPolarHBondContact O-CB 3.28Å; Q89-S92 PolarHBondContact O-N 3.07Å; E90-S92 PolarHBondContact O-N 3.08Å; S92-L94 PolarHBondContact O-N 2.76Å; S92-L95 WeakPolarHBondContact O-CB 3.34Å; S92-L95 PolarHBondContact O-N 3.49Å; S92-L95 VanDerWaalsContact O-N 3.08Å
93S87.4Confident85.3Confident56 Ų5640 Ų4039%0.39221%0.207SC..THydrogen-bonded Turntrans-61.1-21.1171.868.20000113.5E90 V91 P97 V164E90-S93 VanDerWaalsContact O-CB 3.3Å; E90-S93 WeakPolarHBondContact O-CB 3.29Å; E90-S93 PolarHBondContact O-N 2.92Å; E90-S93 VanDerWaalsContact O-N 3.13Å; E90-S93 PolarHBondContact O-OG 3.29Å; V91-S93 PolarHBondContact O-N 2.6Å; V91-S93 VanDerWaalsContact O-N 3.15Å; S93-P97 VanDerWaalsContact O-CD 3.25Å; S93-P97 WeakPolarHBondContact O-CD 3.35Å; S93-V164 WeakPolarHBondContact OG-CG1 3.48Å
94L88.1Confident86.1Confident1 Ų138.5 Ų38.51%0.00520%0.197CC..THydrogen-bonded Turntrans-75.5-20.5175.3-68.2165.7000113.4V91 S92 Y96 P97 L98 V164 L166 L174 L190 L194 V196V91-L94 HydrophobicContact CG1-CD1 4.11Å; V91-L94 VanDerWaalsContact O-CB 3.3Å; V91-L94 WeakPolarHBondContact O-CB 3.39Å; V91-L94 PolarHBondContact O-N 3.4Å; S92-L94 PolarHBondContact O-N 2.76Å; L94-Y96 VanDerWaalsContact C-N 3.34Å; L94-Y96 PolarHBondContact O-N 3.44Å; L94-P97 VanDerWaalsContact O-CD 3.28Å; L94-P97 WeakPolarHBondContact O-CD 3.21Å; L94-P97 WeakPolarHBondContact O-CG 3.19Å; L94-L98 HydrophobicContact CB-CD1 4.08Å; L94-L98 VanDerWaalsContact O-CB 3.24Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 WeakPolarHBondContact O-CD1 3.46Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.38Å; L94-V164 HydrophobicContact CD2-CB 3.84Å; L94-V164 HydrophobicContact CD2-CG1 3.74Å; L94-V164 HydrophobicContact CD2-CG2 3.8Å; L94-V164 HydrophobicContact CG-CG1 4.09Å; L94-L166 HydrophobicContact CD1-CD1 4.19Å; L94-L174 HydrophobicContact CD1-CD1 4.25Å; L94-L174 HydrophobicContact CD1-CD2 3.49Å; L94-L174 VanDerWaalsContact CD1-CD2 3.49Å; L94-L174 HydrophobicContact CD1-CG 4.47Å; L94-L190 HydrophobicContact CD2-CD2 4.01Å; L94-L194 HydrophobicContact CD2-CD2 3.55Å; L94-V196 HydrophobicContact CD2-CG2 4.4Å
95L89.9Confident86.8Confident18 Ų1830.1 Ų30.19%0.09416%0.159CC..Hα-helixtrans-64.3-38.6-173.3-69.2175.7000112.3F73 L76 R77 L80 S92 F99 F126F73-L95 HydrophobicContact CE2-CD2 4.18Å; F73-L95 HydrophobicContact CZ-CD2 4.34Å; L76-L95 HydrophobicContact CD2-CD2 3.99Å; L76-L95 HydrophobicContact CG-CD2 4.12Å; R77-L95 HydrophobicContact CB-CD2 4.35Å; R77-L95 HydrophobicContact CG-CD1 4.35Å; L80-L95 HydrophobicContact CD1-CD1 4.12Å; L80-L95 HydrophobicContact CD1-CD2 4.06Å; L80-L95 HydrophobicContact CD1-CG 4.05Å; S92-L95 WeakPolarHBondContact O-CB 3.34Å; S92-L95 PolarHBondContact O-N 3.49Å; S92-L95 VanDerWaalsContact O-N 3.08Å; L95-F99 VanDerWaalsContact O-CB 3.3Å; L95-F99 WeakPolarHBondContact O-CB 3.38Å; L95-F99 PolarHBondContact O-N 2.82Å; L95-F126 HydrophobicContact CB-CE1 3.96Å; L95-F126 HydrophobicContact CB-CZ 4Å; L95-F126 WeakPolarHBondContact O-CZ 3.48Å
96Y89.9Confident87.1Confident16 Ų1627.1 Ų27.16%0.06314%0.144CC..Hα-helixtrans-63.9-57.2178.1171-107.3000112.9L94 L98 F99 I100 F126 Q132 V136 F157L94-Y96 VanDerWaalsContact C-N 3.34Å; L94-Y96 PolarHBondContact O-N 3.44Å; Y96-L98 VanDerWaalsContact C-N 3.31Å; Y96-L98 PolarHBondContact O-N 3.47Å; Y96-F99 WeakPolarHBondContact O-CB 3.06Å; Y96-F99 PolarHBondContact O-N 2.8Å; Y96-I100 HydrophobicContact CD1-CD1 4.49Å; Y96-I100 HydrophobicContact CD2-CD1 4.29Å; Y96-I100 HydrophobicContact CE1-CD1 3.81Å; Y96-I100 HydrophobicContact CE2-CD1 3.58Å; Y96-I100 HydrophobicContact CE2-CG1 4.26Å; Y96-I100 PolarHBondContact O-N 2.83Å; Y96-I100 WeakPolarHBondContact OH-CD1 3.21Å; Y96-F126 HydrophobicContact CD2-CB 4.28Å; Y96-F126 HydrophobicContact CD2-CD1 4.03Å; Y96-F126 HydrophobicContact CD2-CG 4.2Å; Y96-F126 HydrophobicContact CG-CD1 4.49Å; Y96-Q132 HydrophobicContact CD1-CG 4.19Å; Y96-Q132 HydrophobicContact CD2-CB 3.94Å; Y96-Q132 HydrophobicContact CD2-CG 3.83Å; Y96-Q132 HydrophobicContact CE1-CG 3.99Å; Y96-Q132 HydrophobicContact CE2-CB 3.47Å; Y96-Q132 VanDerWaalsContact CE2-CB 3.47Å; Y96-Q132 HydrophobicContact CE2-CG 3.61Å; Y96-Q132 HydrophobicContact CG-CG 4.11Å; Y96-V136 HydrophobicContact CE2-CG2 4.07Å; Y96-F157 HydrophobicContact CE1-CZ 4.41Å
97P89.5Confident87.3Confident0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-62.5-38.417823.1-32.3000111.9S93 L94 F99 I100 Y101 Y162 V164 L194S93-P97 VanDerWaalsContact O-CD 3.25Å; S93-P97 WeakPolarHBondContact O-CD 3.35Å; L94-P97 VanDerWaalsContact O-CD 3.28Å; L94-P97 WeakPolarHBondContact O-CD 3.21Å; L94-P97 WeakPolarHBondContact O-CG 3.19Å; P97-F99 PolarHBondContact O-N 2.62Å; P97-I100 PolarHBondContact O-N 2.7Å; P97-Y101 HydrophobicContact CB-CD2 4.25Å; P97-Y101 HydrophobicContact CB-CE2 4.13Å; P97-Y101 WeakPolarHBondContact O-CD2 3.3Å; P97-Y101 PolarHBondContact O-N 3.06Å; P97-Y162 HydrophobicContact CB-CD1 3.64Å; P97-Y162 HydrophobicContact CB-CE1 3.98Å; P97-Y162 HydrophobicContact CB-CG 3.95Å; P97-Y162 HydrophobicContact CG-CD1 3.83Å; P97-Y162 HydrophobicContact CG-CE1 3.87Å; P97-V164 HydrophobicContact CG-CG2 4.25Å; P97-L194 HydrophobicContact CB-CD2 3.97Å; P97-L194 HydrophobicContact CB-CG 4.43Å; P97-L194 HydrophobicContact CG-CD2 3.77Å
98L89.1Confident87.3Confident1 Ų126.4 Ų26.41%0.00514%0.135CC..Hα-helixtrans-60.6-42.1175.7-75.1172.3000112.4F73 L76 L94 Y96 I100 Y101 L102 I186 A189 L190 L194F73-L98 HydrophobicContact CD2-CB 4.45Å; F73-L98 HydrophobicContact CE2-CB 4.11Å; L76-L98 HydrophobicContact CD2-CD1 3.8Å; L94-L98 HydrophobicContact CB-CD1 4.08Å; L94-L98 VanDerWaalsContact O-CB 3.24Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 WeakPolarHBondContact O-CD1 3.46Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.38Å; Y96-L98 VanDerWaalsContact C-N 3.31Å; Y96-L98 PolarHBondContact O-N 3.47Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 3.25Å; L98-Y101 PolarHBondContact O-N 3.41Å; L98-L102 WeakPolarHBondContact O-CB 3.29Å; L98-L102 VanDerWaalsContact O-CG 3.23Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.11Å; L98-I186 HydrophobicContact CD1-CG2 4.15Å; L98-I186 HydrophobicContact CD2-CG2 4.37Å; L98-A189 HydrophobicContact CD2-CB 3.67Å; L98-L190 HydrophobicContact CD1-CD2 4.49Å; L98-L190 HydrophobicContact CD2-CD2 4.04Å; L98-L190 HydrophobicContact CD2-CG 4.2Å; L98-L190 HydrophobicContact CG-CD2 4.5Å; L98-L194 HydrophobicContact CD2-CD1 4.12Å
99F90.9Very high87.2Confident0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-58.4-46.4176170.6-105.5000111.7F73 L95 Y96 P97 H103 F118 Y119 F122 H123 F126 V136F73-F99 HydrophobicContact CE2-CB 4.1Å; F73-F99 HydrophobicContact CZ-CB 3.86Å; F73-F99 HydrophobicContact CZ-CD2 4.49Å; L95-F99 VanDerWaalsContact O-CB 3.3Å; L95-F99 WeakPolarHBondContact O-CB 3.38Å; L95-F99 PolarHBondContact O-N 2.82Å; Y96-F99 WeakPolarHBondContact O-CB 3.06Å; Y96-F99 PolarHBondContact O-N 2.8Å; P97-F99 PolarHBondContact O-N 2.62Å; F99-H103 VanDerWaalsContact O-CB 3.28Å; F99-H103 WeakPolarHBondContact O-CB 3.36Å; F99-H103 PolarHBondContact O-N 3.26Å; F99-H103 VanDerWaalsContact O-N 3.11Å; F99-F118 HydrophobicContact CD2-CD1 4.16Å; F99-F118 AromaticContact CD2-CE1 3.42Å; F99-F118 HydrophobicContact CD2-CE1 3.42Å; F99-F118 VanDerWaalsContact CD2-CE1 3.42Å; F99-F118 HydrophobicContact CD2-CZ 4.07Å; F99-F118 AromaticContact CE2-CD1 3.91Å; F99-F118 HydrophobicContact CE2-CD1 3.91Å; F99-F118 AromaticContact CE2-CE1 3.66Å; F99-F118 HydrophobicContact CE2-CE1 3.66Å; F99-F118 HydrophobicContact CG-CE1 4.45Å; F99-Y119 HydrophobicContact CZ-CD2 4.1Å; F99-F122 HydrophobicContact CD2-CB 3.88Å; F99-F122 HydrophobicContact CE2-CB 3.76Å; F99-H123 HydrophobicContact CZ-CB 4.27Å; F99-F126 HydrophobicContact CB-CD2 4.33Å; F99-F126 HydrophobicContact CB-CE2 3.61Å; F99-F126 HydrophobicContact CB-CZ 3.96Å; F99-F126 AromaticContact CD1-CD2 3.81Å; F99-F126 HydrophobicContact CD1-CD2 3.81Å; F99-F126 AromaticContact CD1-CE2 3.91Å; F99-F126 HydrophobicContact CD1-CE2 3.91Å; F99-F126 HydrophobicContact CD2-CE2 4.02Å; F99-F126 HydrophobicContact CE1-CD2 4.25Å; F99-F126 AromaticContact CG-CD2 3.97Å; F99-F126 HydrophobicContact CG-CD2 3.97Å; F99-F126 AromaticContact CG-CE2 3.56Å; F99-F126 HydrophobicContact CG-CE2 3.56Å; F99-F126 HydrophobicContact CG-CZ 4.41Å; F99-V136 HydrophobicContact CE1-CG1 4.34Å; F99-V136 HydrophobicContact CE1-CG2 4.31Å
100I89.8Confident87Confident0 Ų023.6 Ų23.60%014%0.14CC..Hα-helixtrans-63.3-50.9178.4-64.1-177.4000110.7Y96 P97 L98 H103 L104 V135 L139 F157Y96-I100 HydrophobicContact CD1-CD1 4.49Å; Y96-I100 HydrophobicContact CD2-CD1 4.29Å; Y96-I100 HydrophobicContact CE1-CD1 3.81Å; Y96-I100 HydrophobicContact CE2-CD1 3.58Å; Y96-I100 HydrophobicContact CE2-CG1 4.26Å; Y96-I100 PolarHBondContact O-N 2.83Å; Y96-I100 WeakPolarHBondContact OH-CD1 3.21Å; P97-I100 PolarHBondContact O-N 2.7Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 3.25Å; I100-H103 PolarHBondContact O-N 3.5Å; I100-L104 HydrophobicContact CG2-CD1 3.78Å; I100-L104 HydrophobicContact CG2-CG 4.19Å; I100-L104 WeakPolarHBondContact O-CG 3.19Å; I100-L104 PolarHBondContact O-N 3.41Å; I100-V135 HydrophobicContact CD1-CG1 3.93Å; I100-L139 HydrophobicContact CD1-CD1 4.4Å; I100-L139 HydrophobicContact CG1-CD1 3.87Å; I100-L139 HydrophobicContact CG2-CD1 4.39Å; I100-F157 HydrophobicContact CD1-CE1 4.14Å; I100-F157 HydrophobicContact CD1-CE2 4.47Å; I100-F157 HydrophobicContact CD1-CZ 3.99Å
101Y88.7Confident86.9Confident2 Ų223 Ų231%0.00814%0.139CC..Hα-helixtrans-67.7-40.5-174.4-72.7-58.4000112.9P97 L98 H103 L104 D105 F157 Y162 H193 L194P97-Y101 HydrophobicContact CB-CD2 4.25Å; P97-Y101 HydrophobicContact CB-CE2 4.13Å; P97-Y101 WeakPolarHBondContact O-CD2 3.3Å; P97-Y101 PolarHBondContact O-N 3.06Å; L98-Y101 PolarHBondContact O-N 3.41Å; Y101-H103 VanDerWaalsContact C-N 3.31Å; Y101-H103 PolarHBondContact O-N 2.94Å; Y101-L104 PolarHBondContact O-N 3.06Å; Y101-D105 VanDerWaalsContact O-CB 3.26Å; Y101-D105 WeakPolarHBondContact O-CB 3.24Å; Y101-D105 PolarHBondContact O-N 2.59Å; Y101-F157 HydrophobicContact CE1-CB 4.2Å; Y101-F157 WeakPolarHBondContact CE1-O 3.32Å; Y101-F157 AromaticContact CZ-CD1 3.98Å; Y101-F157 PolarHBondContact OH-O 3.5Å; Y101-Y162 WeakPolarHBondContact OH-CB 3.39Å; Y101-H193 HydrophobicContact CD1-CB 3.49Å; Y101-H193 VanDerWaalsContact CD1-CB 3.49Å; Y101-H193 AromaticContact CD1-CD2 3.8Å; Y101-H193 AromaticContact CD1-CG 3.44Å; Y101-H193 VanDerWaalsContact CD1-CG 3.44Å; Y101-H193 AromaticContact CD1-ND1 3.92Å; Y101-H193 HydrophobicContact CD2-CB 3.58Å; Y101-H193 HydrophobicContact CE1-CB 3.57Å; Y101-H193 AromaticContact CE1-CG 3.78Å; Y101-H193 HydrophobicContact CE2-CB 3.66Å; Y101-H193 HydrophobicContact CG-CB 3.5Å; Y101-H193 AromaticContact CG-CD2 3.93Å; Y101-H193 AromaticContact CG-CG 3.77Å; Y101-H193 PolarHBondContact OH-O 2.86Å; Y101-L194 HydrophobicContact CD2-CD1 3.71Å; Y101-L194 HydrophobicContact CD2-CG 4.45Å; Y101-L194 HydrophobicContact CE2-CD1 4.06Å; Y101-L194 HydrophobicContact CE2-CG 4.35Å
102L88.1Confident86.7Confident2 Ų228.7 Ų28.71%0.0116%0.163CC..Hα-helixtrans-63-39.9174.2-68.5174.5000111.2Y69 F73 L98 D105 M106 F118 A189Y69-L102 HydrophobicContact CD2-CB 4.45Å; Y69-L102 HydrophobicContact CD2-CD2 4.11Å; Y69-L102 HydrophobicContact CE2-CD2 4.42Å; Y69-L102 HydrophobicContact CG-CD2 4.16Å; F73-L102 HydrophobicContact CB-CD1 4.17Å; F73-L102 HydrophobicContact CD2-CD1 3.9Å; F73-L102 HydrophobicContact CG-CD1 4.37Å; L98-L102 WeakPolarHBondContact O-CB 3.29Å; L98-L102 VanDerWaalsContact O-CG 3.23Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.11Å; L102-D105 PolarHBondContact O-N 3.46Å; L102-M106 WeakPolarHBondContact O-CE 3.46Å; L102-M106 WeakPolarHBondContact O-CG 3.25Å; L102-M106 PolarHBondContact O-N 3.15Å; L102-F118 HydrophobicContact CB-CE1 4.41Å; L102-F118 HydrophobicContact CB-CZ 4.14Å; L102-F118 HydrophobicContact CD1-CZ 4.28Å; L102-A189 HydrophobicContact CD2-CB 4.17Å
103H88.5Confident86.4Confident3 Ų329.8 Ų29.81%0.01418%0.181CC..Hα-helixtrans-63.5-48.8175.2-176.4103.9000112.1F99 I100 Y101 D105 M106 V107 V115 F118 L139F99-H103 VanDerWaalsContact O-CB 3.28Å; F99-H103 WeakPolarHBondContact O-CB 3.36Å; F99-H103 PolarHBondContact O-N 3.26Å; F99-H103 VanDerWaalsContact O-N 3.11Å; I100-H103 PolarHBondContact O-N 3.5Å; Y101-H103 VanDerWaalsContact C-N 3.31Å; Y101-H103 PolarHBondContact O-N 2.94Å; H103-D105 VanDerWaalsContact C-N 3.31Å; H103-D105 PolarHBondContact O-N 2.86Å; H103-M106 PolarHBondContact O-N 2.73Å; H103-V107 WeakPolarHBondContact O-CG2 3.48Å; H103-V107 PolarHBondContact O-N 2.9Å; H103-V115 WeakPolarHBondContact CE1-CG1 3.34Å; H103-F118 HydrophobicContact CB-CD1 4.49Å; H103-F118 HydrophobicContact CB-CE1 4.49Å; H103-L139 HydrophobicContact CB-CD2 4.35Å; H103-L139 WeakPolarHBondContact CD2-CD2 3.44Å
104L87.4Confident86.3Confident7 Ų728.4 Ų28.44%0.03717%0.173CC..Hα-helixtrans-62-38.3178.3-70.1178.4000112.4I100 Y101 V107 H108 L139 V148 L154 L158I100-L104 HydrophobicContact CG2-CD1 3.78Å; I100-L104 HydrophobicContact CG2-CG 4.19Å; I100-L104 WeakPolarHBondContact O-CG 3.19Å; I100-L104 PolarHBondContact O-N 3.41Å; Y101-L104 PolarHBondContact O-N 3.06Å; L104-V107 PolarHBondContact O-N 3.21Å; L104-H108 PolarHBondContact O-N 2.97Å; L104-L139 HydrophobicContact CD2-CD2 4.23Å; L104-V148 HydrophobicContact CD2-CG1 4.21Å; L104-V148 HydrophobicContact CD2-CG2 3.93Å; L104-L154 HydrophobicContact CD2-CD1 4.27Å; L104-L154 HydrophobicContact CD2-CD2 4.4Å; L104-L158 HydrophobicContact CD1-CD2 4.04Å; L104-L158 HydrophobicContact CD1-CG 4.2Å
105D84.7Confident86.2Confident32 Ų3228.5 Ų28.517%0.17117%0.173CC..Hα-helixtrans-64.4-42.8176.4-171.750.1000111.3Y69 Y101 L102 H103 V107 H108 C109 R188Y69-D105 HydrophobicContact CE2-CB 4.46Å; Y69-D105 WeakPolarHBondContact CE2-OD2 3.48Å; Y69-D105 VanDerWaalsContact CZ-OD2 3.29Å; Y69-D105 PolarHBondContact OH-OD2 3.29Å; Y101-D105 VanDerWaalsContact O-CB 3.26Å; Y101-D105 WeakPolarHBondContact O-CB 3.24Å; Y101-D105 PolarHBondContact O-N 2.59Å; L102-D105 PolarHBondContact O-N 3.46Å; H103-D105 VanDerWaalsContact C-N 3.31Å; H103-D105 PolarHBondContact O-N 2.86Å; D105-V107 VanDerWaalsContact C-N 3.35Å; D105-V107 PolarHBondContact O-N 2.91Å; D105-H108 WeakPolarHBondContact O-CB 3.47Å; D105-H108 PolarHBondContact O-N 2.87Å; D105-C109 PolarHBondContact O-N 2.78Å; D105-C109 PolarHBondContact O-SG 2.97Å; D105-R188 IonicContact OD1-NH1 3.38Å; D105-R188 IonicContact OD2-CZ 2.91Å; D105-R188 IonicContact OD2-NH1 3.98Å; D105-R188 PolarHBondContact OD2-NH1 3.25Å
106M84.9Confident86Confident1 Ų132.4 Ų32.41%0.00519%0.194CC..Hα-helixtrans-63.5-38173.2-71.5-175.4-70.500113.1P66 Y69 L102 H103 C109 G110 L111 A114 V115 F118P66-M106 HydrophobicContact CB-SD 4.26Å; Y69-M106 HydrophobicContact CD2-CE 4.43Å; Y69-M106 HydrophobicContact CD2-CG 3.45Å; Y69-M106 VanDerWaalsContact CD2-CG 3.45Å; Y69-M106 HydrophobicContact CD2-SD 3.83Å; Y69-M106 HydrophobicContact CE2-CG 3.64Å; L102-M106 WeakPolarHBondContact O-CE 3.46Å; L102-M106 WeakPolarHBondContact O-CG 3.25Å; L102-M106 PolarHBondContact O-N 3.15Å; H103-M106 PolarHBondContact O-N 2.73Å; M106-C109 PolarHBondContact O-N 3.12Å; M106-G110 PolarHBondContact O-N 2.89Å; M106-L111 PolarHBondContact O-N 3.28Å; M106-L111 VanDerWaalsContact O-N 3.12Å; M106-A114 HydrophobicContact SD-CB 4.33Å; M106-V115 HydrophobicContact CB-CG2 3.56Å; M106-F118 HydrophobicContact CE-CB 3.69Å; M106-F118 HydrophobicContact CE-CD1 3.52Å; M106-F118 HydrophobicContact CE-CD2 4.03Å; M106-F118 HydrophobicContact CE-CE1 4.08Å; M106-F118 HydrophobicContact CE-CG 3.49Å; M106-F118 VanDerWaalsContact CE-CG 3.49Å; M106-F118 HydrophobicContact SD-CB 4.48Å
107V86Confident86Confident3 Ų334.4 Ų34.42%0.01821%0.21CC..Hα-helixtrans-63.3-42.9174.2170.50000110.7H103 L104 D105 C109 G110 V115 V142 V148H103-V107 WeakPolarHBondContact O-CG2 3.48Å; H103-V107 PolarHBondContact O-N 2.9Å; L104-V107 PolarHBondContact O-N 3.21Å; D105-V107 VanDerWaalsContact C-N 3.35Å; D105-V107 PolarHBondContact O-N 2.91Å; V107-C109 VanDerWaalsContact C-N 3.27Å; V107-C109 PolarHBondContact O-N 3.5Å; V107-G110 PolarHBondContact O-N 3.38Å; V107-G110 VanDerWaalsContact O-N 3.07Å; V107-V115 HydrophobicContact CG2-CB 4.48Å; V107-V115 HydrophobicContact CG2-CG1 3.73Å; V107-V115 HydrophobicContact CG2-CG2 3.82Å; V107-V142 HydrophobicContact CG1-CG1 4.33Å; V107-V142 WeakPolarHBondContact CG2-O 3.45Å; V107-V148 HydrophobicContact CG1-CG2 3.78Å
108H83Confident86Confident148 Ų14834.5 Ų34.569%0.68521%0.211SC*.Hα-helixtrans-61.8-37.3176.2-169.772.8000112L104 D105 G110L104-H108 PolarHBondContact O-N 2.97Å; D105-H108 WeakPolarHBondContact O-CB 3.47Å; D105-H108 PolarHBondContact O-N 2.87Å; H108-G110 PolarHBondContact O-N 2.87Å
109C81.3Confident86Confident49 Ų4935.1 Ų35.133%0.33121%0.213SC..THydrogen-bonded Turntrans-75.8-4.3176.5-60.90000114P64 D105 M106 V107 L111P64-C109 HydrophobicContact CB-CB 4.38Å; P64-C109 WeakPolarHBondContact CB-SG 3.36Å; P64-C109 HydrophobicContact CG-CB 4.23Å; P64-C109 WeakPolarHBondContact CG-SG 3.35Å; D105-C109 PolarHBondContact O-N 2.78Å; D105-C109 PolarHBondContact O-SG 2.97Å; M106-C109 PolarHBondContact O-N 3.12Å; V107-C109 VanDerWaalsContact C-N 3.27Å; V107-C109 PolarHBondContact O-N 3.5Å; C109-L111 VanDerWaalsContact C-N 3.33Å; C109-L111 HydrophobicContact CB-CD1 3.8Å; C109-L111 HydrophobicContact CB-CG 3.96Å; C109-L111 PolarHBondContact O-N 3.32Å
110G81.4Confident86Confident48 Ų4839 Ų3950%0.49524%0.237SC..THydrogen-bonded Turntrans7418178.500000114.8M106 V107 H108 K112M106-G110 PolarHBondContact O-N 2.89Å; V107-G110 PolarHBondContact O-N 3.38Å; V107-G110 VanDerWaalsContact O-N 3.07Å; H108-G110 PolarHBondContact O-N 2.87Å; G110-K112 VanDerWaalsContact C-N 3.29Å; G110-K112 PolarHBondContact O-N 3.5Å
111L81.4Confident85.9Confident54 Ų5445.9 Ų45.928%0.28326%0.263SS..  trans-84.659.7-172.6-64.4167.3000112.7P66 M106 C109 G113 A114 V115P66-L111 HydrophobicContact CB-CD1 4.06Å; P66-L111 HydrophobicContact CG-CD1 3.75Å; P66-L111 HydrophobicContact CG-CD2 4.32Å; M106-L111 PolarHBondContact O-N 3.28Å; M106-L111 VanDerWaalsContact O-N 3.12Å; C109-L111 VanDerWaalsContact C-N 3.33Å; C109-L111 HydrophobicContact CB-CD1 3.8Å; C109-L111 HydrophobicContact CB-CG 3.96Å; C109-L111 PolarHBondContact O-N 3.32Å; L111-G113 VanDerWaalsContact C-N 3.35Å; L111-G113 PolarHBondContact O-N 3.41Å; L111-G113 VanDerWaalsContact O-N 3.15Å; L111-A114 HydrophobicContact CB-CB 4.26Å; L111-A114 PolarHBondContact O-N 2.97Å; L111-V115 WeakPolarHBondContact O-CG2 3.36Å; L111-V115 PolarHBondContact O-N 2.76Å
112K82.4Confident86Confident121 Ų12146.1 Ų46.153%0.52626%0.264SS..Hα-helixtrans-52.5-42.7-168-58.3-171176-179.30115.4G110 V115 D116 V143G110-K112 VanDerWaalsContact C-N 3.29Å; G110-K112 PolarHBondContact O-N 3.5Å; K112-V115 PolarHBondContact O-N 2.74Å; K112-D116 PolarHBondContact O-N 3.48Å; K112-V143 HydrophobicContact CB-CG1 3.91Å; K112-V143 HydrophobicContact CD-CG1 3.86Å; K112-V143 HydrophobicContact CG-CG1 3.68Å
113G82.3Confident86.1Confident63 Ų6347.8 Ų47.865%0.64927%0.272SS*.Hα-helixtrans-68.9-34.7-179.400000113.5L111 S117L111-G113 VanDerWaalsContact C-N 3.35Å; L111-G113 PolarHBondContact O-N 3.41Å; L111-G113 VanDerWaalsContact O-N 3.15Å; G113-S117 PolarHBondContact O-N 2.91Å
114A84.5Confident86Confident27 Ų2752.3 Ų52.322%0.22330%0.296CS..Hα-helixtrans-74.3-36.6176.700000111.9P66 M106 L111 D116 S117 F118P66-A114 HydrophobicContact CB-CB 3.43Å; P66-A114 VanDerWaalsContact CB-CB 3.43Å; P66-A114 HydrophobicContact CG-CB 4.14Å; M106-A114 HydrophobicContact SD-CB 4.33Å; L111-A114 HydrophobicContact CB-CB 4.26Å; L111-A114 PolarHBondContact O-N 2.97Å; A114-D116 PolarHBondContact O-N 3.04Å; A114-S117 PolarHBondContact O-N 2.78Å; A114-F118 VanDerWaalsContact O-CB 3.24Å; A114-F118 WeakPolarHBondContact O-CB 3.16Å; A114-F118 PolarHBondContact O-N 3.13Å
115V86.2Confident85.8Confident3 Ų353.4 Ų53.42%0.01831%0.306CS..Hα-helixtrans-57-48.6176.4172.70000111.2H103 M106 V107 L111 K112 Y119H103-V115 WeakPolarHBondContact CE1-CG1 3.34Å; M106-V115 HydrophobicContact CB-CG2 3.56Å; V107-V115 HydrophobicContact CG2-CB 4.48Å; V107-V115 HydrophobicContact CG2-CG1 3.73Å; V107-V115 HydrophobicContact CG2-CG2 3.82Å; L111-V115 WeakPolarHBondContact O-CG2 3.36Å; L111-V115 PolarHBondContact O-N 2.76Å; K112-V115 PolarHBondContact O-N 2.74Å; V115-Y119 WeakPolarHBondContact O-CB 3.46Å; V115-Y119 PolarHBondContact O-N 3Å
116D86.7Confident85.8Confident100 Ų10052.6 Ų52.654%0.53530%0.301SS..Hα-helixtrans-67.9-45.4-179.4-167.545.7000111.7K112 A114 F118 Y119 V120K112-D116 PolarHBondContact O-N 3.48Å; A114-D116 PolarHBondContact O-N 3.04Å; D116-F118 PolarHBondContact O-N 3.33Å; D116-Y119 PolarHBondContact O-N 3.19Å; D116-V120 WeakPolarHBondContact O-CG2 3.44Å; D116-V120 PolarHBondContact O-N 3.48Å
117S88.6Confident85.8Confident58 Ų5854.6 Ų54.641%0.40631%0.312SS..Hα-helixtrans-56.2-48.1175.2-1750000112.1G113 A114 R121G113-S117 PolarHBondContact O-N 2.91Å; A114-S117 PolarHBondContact O-N 2.78Å; S117-R121 WeakPolarHBondContact O-CB 3.48Å; S117-R121 PolarHBondContact O-N 3.45Å; S117-R121 VanDerWaalsContact O-N 3.13Å
118F89.1Confident85.4Confident2 Ų262.7 Ų62.71%0.00935%0.349CS..Hα-helixtrans-65.5-43.3179.3-175.5-95.3000112.1E70 F73 F99 L102 H103 M106 A114 D116 R121 F122E70-F118 HydrophobicContact CB-CD2 4.23Å; F73-F118 HydrophobicContact CB-CE2 4.08Å; F73-F118 HydrophobicContact CB-CZ 4.32Å; F73-F118 HydrophobicContact CD1-CE2 4.26Å; F73-F118 HydrophobicContact CD1-CZ 4.13Å; F73-F118 HydrophobicContact CD2-CZ 4.5Å; F73-F118 HydrophobicContact CG-CE2 4.23Å; F73-F118 HydrophobicContact CG-CZ 4.06Å; F99-F118 HydrophobicContact CD2-CD1 4.16Å; F99-F118 AromaticContact CD2-CE1 3.42Å; F99-F118 HydrophobicContact CD2-CE1 3.42Å; F99-F118 VanDerWaalsContact CD2-CE1 3.42Å; F99-F118 HydrophobicContact CD2-CZ 4.07Å; F99-F118 AromaticContact CE2-CD1 3.91Å; F99-F118 HydrophobicContact CE2-CD1 3.91Å; F99-F118 AromaticContact CE2-CE1 3.66Å; F99-F118 HydrophobicContact CE2-CE1 3.66Å; F99-F118 HydrophobicContact CG-CE1 4.45Å; L102-F118 HydrophobicContact CB-CE1 4.41Å; L102-F118 HydrophobicContact CB-CZ 4.14Å; L102-F118 HydrophobicContact CD1-CZ 4.28Å; H103-F118 HydrophobicContact CB-CD1 4.49Å; H103-F118 HydrophobicContact CB-CE1 4.49Å; M106-F118 HydrophobicContact CE-CB 3.69Å; M106-F118 HydrophobicContact CE-CD1 3.52Å; M106-F118 HydrophobicContact CE-CD2 4.03Å; M106-F118 HydrophobicContact CE-CE1 4.08Å; M106-F118 HydrophobicContact CE-CG 3.49Å; M106-F118 VanDerWaalsContact CE-CG 3.49Å; M106-F118 HydrophobicContact SD-CB 4.48Å; A114-F118 VanDerWaalsContact O-CB 3.24Å; A114-F118 WeakPolarHBondContact O-CB 3.16Å; A114-F118 PolarHBondContact O-N 3.13Å; D116-F118 PolarHBondContact O-N 3.33Å; F118-R121 PolarHBondContact O-N 2.72Å; F118-F122 HydrophobicContact CD1-CD2 4.27Å; F118-F122 AromaticContact CD2-CD2 3.65Å; F118-F122 HydrophobicContact CD2-CD2 3.65Å; F118-F122 AromaticContact CD2-CE2 3.45Å; F118-F122 HydrophobicContact CD2-CE2 3.45Å; F118-F122 VanDerWaalsContact CD2-CE2 3.45Å; F118-F122 HydrophobicContact CE1-CD2 4.26Å; F118-F122 AromaticContact CE2-CD2 3.61Å; F118-F122 HydrophobicContact CE2-CD2 3.61Å; F118-F122 AromaticContact CE2-CE2 3.49Å; F118-F122 HydrophobicContact CE2-CE2 3.49Å; F118-F122 VanDerWaalsContact CE2-CE2 3.49Å; F118-F122 AromaticContact CG-CD2 3.97Å; F118-F122 HydrophobicContact CG-CD2 3.97Å; F118-F122 HydrophobicContact CG-CE2 4.16Å; F118-F122 AromaticContact CZ-CD2 3.93Å; F118-F122 HydrophobicContact CZ-CD2 3.93Å; F118-F122 HydrophobicContact CZ-CE2 4.26Å; F118-F122 WeakPolarHBondContact O-CD2 3.3Å; F118-F122 PolarHBondContact O-N 2.64Å
119Y90.2Very high85.3Confident14 Ų1459.2 Ų59.26%0.05534%0.336CS..Hα-helixtrans-59-53.8176.8177.1-90.2000111.1F99 V115 D116 R121 F122 H123 V136 L139 R140F99-Y119 HydrophobicContact CZ-CD2 4.1Å; V115-Y119 WeakPolarHBondContact O-CB 3.46Å; V115-Y119 PolarHBondContact O-N 3Å; D116-Y119 PolarHBondContact O-N 3.19Å; Y119-R121 PolarHBondContact O-N 3.13Å; Y119-F122 PolarHBondContact O-N 3.44Å; Y119-H123 HydrophobicContact CD1-CB 4.39Å; Y119-H123 HydrophobicContact CD2-CB 4.23Å; Y119-H123 HydrophobicContact CE1-CB 4.04Å; Y119-H123 AromaticContact CE1-CD2 3.93Å; Y119-H123 AromaticContact CE1-CG 3.84Å; Y119-H123 HydrophobicContact CE2-CB 3.89Å; Y119-H123 HydrophobicContact CG-CB 4.46Å; Y119-H123 AromaticContact CZ-CD2 3.98Å; Y119-H123 AromaticContact CZ-CG 3.95Å; Y119-H123 WeakPolarHBondContact O-CB 3.48Å; Y119-H123 PolarHBondContact O-N 3.3Å; Y119-H123 PolarHBondContact O-ND1 3.13Å; Y119-H123 VanDerWaalsContact O-ND1 3.14Å; Y119-V136 HydrophobicContact CE2-CG1 4.11Å; Y119-V136 WeakPolarHBondContact CE2-O 3.47Å; Y119-V136 PolarHBondContact OH-O 2.82Å; Y119-L139 HydrophobicContact CD2-CB 4.39Å; Y119-L139 HydrophobicContact CE2-CB 4.17Å; Y119-R140 HydrophobicContact CE1-CB 3.98Å; Y119-R140 HydrophobicContact CE1-CG 3.92Å; Y119-R140 HydrophobicContact CE2-CB 4.18Å
120V90.1Very high85Confident83 Ų8359.6 Ų59.650%0.50335%0.348SS..Hα-helixtrans-58-40-177.9171.90000111.1D116 F122 H123D116-V120 WeakPolarHBondContact O-CG2 3.44Å; D116-V120 PolarHBondContact O-N 3.48Å; V120-F122 PolarHBondContact O-N 2.99Å; V120-H123 PolarHBondContact O-CE1 3.01Å; V120-H123 PolarHBondContact O-ND1 3.49Å
121R89.2Confident84.8Confident144 Ų14465.2 Ų65.254%0.54336%0.361SS..Hα-helixtrans-69.8-32.3-176.6-169.8171.2177.4161.7-0.4114.5E70 S117 F118 Y119E70-R121 WeakPolarHBondContact OE1-CD 3.36Å; E70-R121 IonicContact OE1-CZ 3.63Å; E70-R121 IonicContact OE1-NE 2.79Å; E70-R121 IonicContact OE1-NH1 3.59Å; E70-R121 PolarHBondContact OE1-NH1 3.11Å; S117-R121 WeakPolarHBondContact O-CB 3.48Å; S117-R121 PolarHBondContact O-N 3.45Å; S117-R121 VanDerWaalsContact O-N 3.13Å; F118-R121 PolarHBondContact O-N 2.72Å; Y119-R121 PolarHBondContact O-N 3.13Å
122F90.3Very high84.9Confident6 Ų664.9 Ų64.93%0.02636%0.358CS..Hα-helixtrans-119.2-15.9-170.3-55.5-65.6000115.8E70 F73 S74 F99 F118 Y119 V120 D124 A125E70-F122 HydrophobicContact CG-CE2 4.03Å; E70-F122 HydrophobicContact CG-CZ 4.11Å; F73-F122 AromaticContact CD1-CD1 3.8Å; F73-F122 HydrophobicContact CD1-CD1 3.8Å; F73-F122 AromaticContact CD1-CD2 3.9Å; F73-F122 HydrophobicContact CD1-CD2 3.9Å; F73-F122 AromaticContact CD1-CE1 3.91Å; F73-F122 HydrophobicContact CD1-CE1 3.91Å; F73-F122 HydrophobicContact CD1-CE2 4.03Å; F73-F122 AromaticContact CD1-CG 3.81Å; F73-F122 HydrophobicContact CD1-CG 3.81Å; F73-F122 HydrophobicContact CD1-CZ 4.04Å; F73-F122 HydrophobicContact CE1-CB 3.96Å; F73-F122 AromaticContact CE1-CD1 3.75Å; F73-F122 HydrophobicContact CE1-CD1 3.75Å; F73-F122 HydrophobicContact CE1-CD2 4.16Å; F73-F122 HydrophobicContact CE1-CE1 4.31Å; F73-F122 AromaticContact CE1-CG 3.68Å; F73-F122 HydrophobicContact CE1-CG 3.68Å; S74-F122 WeakPolarHBondContact OG-CZ 3.46Å; F99-F122 HydrophobicContact CD2-CB 3.88Å; F99-F122 HydrophobicContact CE2-CB 3.76Å; F118-F122 HydrophobicContact CD1-CD2 4.27Å; F118-F122 AromaticContact CD2-CD2 3.65Å; F118-F122 HydrophobicContact CD2-CD2 3.65Å; F118-F122 AromaticContact CD2-CE2 3.45Å; F118-F122 HydrophobicContact CD2-CE2 3.45Å; F118-F122 VanDerWaalsContact CD2-CE2 3.45Å; F118-F122 HydrophobicContact CE1-CD2 4.26Å; F118-F122 AromaticContact CE2-CD2 3.61Å; F118-F122 HydrophobicContact CE2-CD2 3.61Å; F118-F122 AromaticContact CE2-CE2 3.49Å; F118-F122 HydrophobicContact CE2-CE2 3.49Å; F118-F122 VanDerWaalsContact CE2-CE2 3.49Å; F118-F122 AromaticContact CG-CD2 3.97Å; F118-F122 HydrophobicContact CG-CD2 3.97Å; F118-F122 HydrophobicContact CG-CE2 4.16Å; F118-F122 AromaticContact CZ-CD2 3.93Å; F118-F122 HydrophobicContact CZ-CD2 3.93Å; F118-F122 HydrophobicContact CZ-CE2 4.26Å; F118-F122 WeakPolarHBondContact O-CD2 3.3Å; F118-F122 PolarHBondContact O-N 2.64Å; Y119-F122 PolarHBondContact O-N 3.44Å; V120-F122 PolarHBondContact O-N 2.99Å; F122-D124 VanDerWaalsContact C-N 3.28Å; F122-D124 PolarHBondContact O-N 3.34Å; F122-A125 WeakPolarHBondContact O-CB 3.12Å; F122-A125 PolarHBondContact O-N 3.26Å
123H89.1Confident85.1Confident38 Ų3864.8 Ų64.818%0.17635%0.354CS..G310 helixtrans-57.8-36-173.674.3-62.1000114.2F99 Y119 V120 A125 F126 V136F99-H123 HydrophobicContact CZ-CB 4.27Å; Y119-H123 HydrophobicContact CD1-CB 4.39Å; Y119-H123 HydrophobicContact CD2-CB 4.23Å; Y119-H123 HydrophobicContact CE1-CB 4.04Å; Y119-H123 AromaticContact CE1-CD2 3.93Å; Y119-H123 AromaticContact CE1-CG 3.84Å; Y119-H123 HydrophobicContact CE2-CB 3.89Å; Y119-H123 HydrophobicContact CG-CB 4.46Å; Y119-H123 AromaticContact CZ-CD2 3.98Å; Y119-H123 AromaticContact CZ-CG 3.95Å; Y119-H123 WeakPolarHBondContact O-CB 3.48Å; Y119-H123 PolarHBondContact O-N 3.3Å; Y119-H123 PolarHBondContact O-ND1 3.13Å; Y119-H123 VanDerWaalsContact O-ND1 3.14Å; V120-H123 PolarHBondContact O-CE1 3.01Å; V120-H123 PolarHBondContact O-ND1 3.49Å; H123-A125 PolarHBondContact O-N 2.93Å; H123-A125 VanDerWaalsContact O-N 3.09Å; H123-F126 PolarHBondContact O-N 2.82Å; H123-F126 VanDerWaalsContact O-N 3.08Å; H123-V136 HydrophobicContact CB-CG1 3.9Å
124D86.4Confident85.2Confident97 Ų9763.8 Ų63.852%0.51934%0.337SS..G310 helixtrans-57-28.6-177.7-72.3-35.9000113.3F122 F126F122-D124 VanDerWaalsContact C-N 3.28Å; F122-D124 PolarHBondContact O-N 3.34Å; D124-F126 PolarHBondContact O-N 2.88Å
125A83.8Confident85.2Confident31 Ų3162.9 Ų62.926%0.25633%0.329SS..G310 helixtrans-67.7-19-178.700000113.8F122 H123F122-A125 WeakPolarHBondContact O-CB 3.12Å; F122-A125 PolarHBondContact O-N 3.26Å; H123-A125 PolarHBondContact O-N 2.93Å; H123-A125 VanDerWaalsContact O-N 3.09Å
126F85.3Confident85.3Confident15 Ų1562.8 Ų62.87%0.06633%0.328CS..G310 helixtrans-114.210-170.7-55.1-66.5000113.4F73 L95 Y96 F99 H123 D124 H128 V136F73-F126 HydrophobicContact CZ-CE2 4.28Å; F73-F126 HydrophobicContact CZ-CZ 4.02Å; L95-F126 HydrophobicContact CB-CE1 3.96Å; L95-F126 HydrophobicContact CB-CZ 4Å; L95-F126 WeakPolarHBondContact O-CZ 3.48Å; Y96-F126 HydrophobicContact CD2-CB 4.28Å; Y96-F126 HydrophobicContact CD2-CD1 4.03Å; Y96-F126 HydrophobicContact CD2-CG 4.2Å; Y96-F126 HydrophobicContact CG-CD1 4.49Å; F99-F126 HydrophobicContact CB-CD2 4.33Å; F99-F126 HydrophobicContact CB-CE2 3.61Å; F99-F126 HydrophobicContact CB-CZ 3.96Å; F99-F126 AromaticContact CD1-CD2 3.81Å; F99-F126 HydrophobicContact CD1-CD2 3.81Å; F99-F126 AromaticContact CD1-CE2 3.91Å; F99-F126 HydrophobicContact CD1-CE2 3.91Å; F99-F126 HydrophobicContact CD2-CE2 4.02Å; F99-F126 HydrophobicContact CE1-CD2 4.25Å; F99-F126 AromaticContact CG-CD2 3.97Å; F99-F126 HydrophobicContact CG-CD2 3.97Å; F99-F126 AromaticContact CG-CE2 3.56Å; F99-F126 HydrophobicContact CG-CE2 3.56Å; F99-F126 HydrophobicContact CG-CZ 4.41Å; H123-F126 PolarHBondContact O-N 2.82Å; H123-F126 VanDerWaalsContact O-N 3.08Å; D124-F126 PolarHBondContact O-N 2.88Å; F126-H128 VanDerWaalsContact C-N 3.33Å; F126-V136 HydrophobicContact CB-CG2 3.94Å
127L83.8Confident85.3Confident43 Ų4362.2 Ų62.223%0.22532%0.322CS..  trans-85.7-4-179-63.1176.3000113.9R133 V136L127-R133 HydrophobicContact CD2-CG 4.01Å; L127-V136 HydrophobicContact CD2-CG1 4.23Å
128H79.6Confident85.1Confident173 Ų17362.6 Ų62.680%0.80132%0.318SS*.SBendtrans-77.9-29.8-176.5-61.6-59.2000113.6F126F126-H128 VanDerWaalsContact C-N 3.33Å
129D78.9Confident85Confident75 Ų7562.5 Ų62.540%0.40132%0.318SS..SBendtrans-97.3128.3177.2-176.4-11.8000109.9E131 Q132 R133D129-E131 VanDerWaalsContact C-N 3.32Å; D129-E131 PolarHBondContact O-N 3.36Å; D129-E131 PolarHBondContact OD1-N 3.36Å; D129-Q132 HydrophobicContact CB-CB 4.06Å; D129-Q132 HydrophobicContact CB-CG 3.86Å; D129-Q132 PolarHBondContact O-N 2.65Å; D129-Q132 PolarHBondContact OD2-NE2 2.63Å; D129-R133 WeakPolarHBondContact O-CB 3.29Å; D129-R133 PolarHBondContact O-N 3.03Å
130G75.9Confident84.7Confident57 Ų5769.7 Ų69.759%0.58835%0.345SS*.Hα-helixtrans-62.7-34.4-175.500000113.8S134G130-S134 PolarHBondContact O-N 2.82Å
131E78.2Confident84.4Confident166 Ų16672.5 Ų72.578%0.77635%0.352SS*.Hα-helixtrans-74.1-42.1178.3-66.8-154.6162.800111.8D129D129-E131 VanDerWaalsContact C-N 3.32Å; D129-E131 PolarHBondContact O-N 3.36Å; D129-E131 PolarHBondContact OD1-N 3.36Å
132Q83.6Confident84.1Confident46 Ų4666 Ų6622%0.21533%0.328CS..Hα-helixtrans-64.4-43.9177.1-61.2-176.513.500111Y96 D129 S134 V135 V136Y96-Q132 HydrophobicContact CD1-CG 4.19Å; Y96-Q132 HydrophobicContact CD2-CB 3.94Å; Y96-Q132 HydrophobicContact CD2-CG 3.83Å; Y96-Q132 HydrophobicContact CE1-CG 3.99Å; Y96-Q132 HydrophobicContact CE2-CB 3.47Å; Y96-Q132 VanDerWaalsContact CE2-CB 3.47Å; Y96-Q132 HydrophobicContact CE2-CG 3.61Å; Y96-Q132 HydrophobicContact CG-CG 4.11Å; D129-Q132 HydrophobicContact CB-CB 4.06Å; D129-Q132 HydrophobicContact CB-CG 3.86Å; D129-Q132 PolarHBondContact O-N 2.65Å; D129-Q132 PolarHBondContact OD2-NE2 2.63Å; Q132-S134 VanDerWaalsContact C-N 3.32Å; Q132-S134 PolarHBondContact O-N 3.03Å; Q132-V135 PolarHBondContact O-N 3.21Å; Q132-V136 VanDerWaalsContact O-CG2 3.32Å; Q132-V136 WeakPolarHBondContact O-CG2 3.13Å; Q132-V136 PolarHBondContact O-N 2.58Å
133R84.7Confident83.7Confident120 Ų12068.1 Ų68.145%0.45334%0.342SS..Hα-helixtrans-54-45179178.5173.3-177.8149.15.3112.9L127 D129 V135 V136 E137L127-R133 HydrophobicContact CD2-CG 4.01Å; D129-R133 WeakPolarHBondContact O-CB 3.29Å; D129-R133 PolarHBondContact O-N 3.03Å; R133-V135 VanDerWaalsContact C-N 3.26Å; R133-V135 PolarHBondContact O-N 3.22Å; R133-V136 PolarHBondContact O-N 3.47Å; R133-E137 HydrophobicContact CG-CG 4.27Å; R133-E137 WeakPolarHBondContact CG-OE1 2.92Å; R133-E137 IonicContact CZ-OE1 2.83Å; R133-E137 IonicContact NE-OE1 3.45Å; R133-E137 PolarHBondContact NE-OE1 3.18Å; R133-E137 IonicContact NH2-OE1 2.91Å; R133-E137 PolarHBondContact NH2-OE1 2.68Å; R133-E137 WeakPolarHBondContact O-CB 3.46Å; R133-E137 WeakPolarHBondContact O-CG 3.49Å; R133-E137 PolarHBondContact O-N 3.24Å
134S84.9Confident83.4Confident42 Ų4268.3 Ų68.329%0.29435%0.346SS..Hα-helixtrans-59.6-36.8179171.50000112.5G130 Q132 Q138 K153G130-S134 PolarHBondContact O-N 2.82Å; Q132-S134 VanDerWaalsContact C-N 3.32Å; Q132-S134 PolarHBondContact O-N 3.03Å; S134-Q138 WeakPolarHBondContact O-CG 3.14Å; S134-Q138 PolarHBondContact O-N 3.48Å; S134-K153 PolarHBondContact OG-NZ 2.95Å
135V85.5Confident83.2Confident8 Ų866.3 Ų66.35%0.04834%0.342CS..Hα-helixtrans-79.8-41.1-179.2-178.50000110.7I100 Q132 R133 Q138 L139 K153 L154 F157I100-V135 HydrophobicContact CD1-CG1 3.93Å; Q132-V135 PolarHBondContact O-N 3.21Å; R133-V135 VanDerWaalsContact C-N 3.26Å; R133-V135 PolarHBondContact O-N 3.22Å; V135-Q138 WeakPolarHBondContact O-CB 3.5Å; V135-Q138 PolarHBondContact O-N 3.27Å; V135-L139 HydrophobicContact CG1-CD1 4.21Å; V135-L139 PolarHBondContact O-N 2.77Å; V135-K153 HydrophobicContact CG2-CD 4.15Å; V135-L154 HydrophobicContact CG1-CD2 4.04Å; V135-F157 HydrophobicContact CG1-CE2 4.22Å
136V87.8Confident83.1Confident0 Ų072.5 Ų72.50%037%0.366CS..Hα-helixtrans-63-43.5177.3175.10000111.3Y96 F99 Y119 H123 F126 L127 Q132 R133 Q138 L139 R140Y96-V136 HydrophobicContact CE2-CG2 4.07Å; F99-V136 HydrophobicContact CE1-CG1 4.34Å; F99-V136 HydrophobicContact CE1-CG2 4.31Å; Y119-V136 HydrophobicContact CE2-CG1 4.11Å; Y119-V136 WeakPolarHBondContact CE2-O 3.47Å; Y119-V136 PolarHBondContact OH-O 2.82Å; H123-V136 HydrophobicContact CB-CG1 3.9Å; F126-V136 HydrophobicContact CB-CG2 3.94Å; L127-V136 HydrophobicContact CD2-CG1 4.23Å; Q132-V136 VanDerWaalsContact O-CG2 3.32Å; Q132-V136 WeakPolarHBondContact O-CG2 3.13Å; Q132-V136 PolarHBondContact O-N 2.58Å; R133-V136 PolarHBondContact O-N 3.47Å; V136-Q138 VanDerWaalsContact C-N 3.26Å; V136-Q138 PolarHBondContact O-N 3.26Å; V136-L139 WeakPolarHBondContact O-CB 3.38Å; V136-L139 PolarHBondContact O-N 2.77Å; V136-L139 VanDerWaalsContact O-N 3.13Å; V136-R140 PolarHBondContact O-N 3.05Å
137E86.9Confident83Confident88 Ų8874.5 Ų74.541%0.41138%0.378SS..Hα-helixtrans-63.4-32.7175.9-73176.7175.900112.1R133 R140R133-E137 HydrophobicContact CG-CG 4.27Å; R133-E137 WeakPolarHBondContact CG-OE1 2.92Å; R133-E137 IonicContact CZ-OE1 2.83Å; R133-E137 IonicContact NE-OE1 3.45Å; R133-E137 PolarHBondContact NE-OE1 3.18Å; R133-E137 IonicContact NH2-OE1 2.91Å; R133-E137 PolarHBondContact NH2-OE1 2.68Å; R133-E137 WeakPolarHBondContact O-CB 3.46Å; R133-E137 WeakPolarHBondContact O-CG 3.49Å; R133-E137 PolarHBondContact O-N 3.24Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å
138Q85.2Confident83Confident66 Ų6673.1 Ų73.131%0.30837%0.371SS..Hα-helixtrans-70.4-35.4173.9-72.4173.23.200112.5S134 V135 V136 R140 H141 V142 N151S134-Q138 WeakPolarHBondContact O-CG 3.14Å; S134-Q138 PolarHBondContact O-N 3.48Å; V135-Q138 WeakPolarHBondContact O-CB 3.5Å; V135-Q138 PolarHBondContact O-N 3.27Å; V136-Q138 VanDerWaalsContact C-N 3.26Å; V136-Q138 PolarHBondContact O-N 3.26Å; Q138-R140 PolarHBondContact O-N 3.13Å; Q138-H141 PolarHBondContact O-N 3.11Å; Q138-V142 WeakPolarHBondContact O-CG2 3.47Å; Q138-N151 PolarHBondContact OE1-ND2 3.16Å
139L85.7Confident83.1Confident1 Ų167.5 Ų67.51%0.00535%0.354CS..Hα-helixtrans-60-30.2178.2-87.4148.6000112.7I100 H103 L104 Y119 V135 V136 H141 V142 L154I100-L139 HydrophobicContact CD1-CD1 4.4Å; I100-L139 HydrophobicContact CG1-CD1 3.87Å; I100-L139 HydrophobicContact CG2-CD1 4.39Å; H103-L139 HydrophobicContact CB-CD2 4.35Å; H103-L139 WeakPolarHBondContact CD2-CD2 3.44Å; L104-L139 HydrophobicContact CD2-CD2 4.23Å; Y119-L139 HydrophobicContact CD2-CB 4.39Å; Y119-L139 HydrophobicContact CE2-CB 4.17Å; V135-L139 HydrophobicContact CG1-CD1 4.21Å; V135-L139 PolarHBondContact O-N 2.77Å; V136-L139 WeakPolarHBondContact O-CB 3.38Å; V136-L139 PolarHBondContact O-N 2.77Å; V136-L139 VanDerWaalsContact O-N 3.13Å; L139-H141 PolarHBondContact O-N 3.45Å; L139-H141 VanDerWaalsContact O-N 3.08Å; L139-V142 PolarHBondContact O-N 3.24Å; L139-L154 HydrophobicContact CD2-CD2 4.38Å; L139-L154 HydrophobicContact CG-CD2 4.26Å
140R84.9Confident83.4Confident165 Ų16567.6 Ų67.662%0.62337%0.366SS*.THydrogen-bonded Turntrans-52.8-33.6176.2-170.7179.1179.4-179.71.5113.5Y119 V136 E137 Q138Y119-R140 HydrophobicContact CE1-CB 3.98Å; Y119-R140 HydrophobicContact CE1-CG 3.92Å; Y119-R140 HydrophobicContact CE2-CB 4.18Å; V136-R140 PolarHBondContact O-N 3.05Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; Q138-R140 PolarHBondContact O-N 3.13Å
141H83.5Confident83.9Confident141 Ų14166 Ų6665%0.65334%0.344SS*.THydrogen-bonded Turntrans-95.21.1-175.9-61.4-64000113.2Q138 L139Q138-H141 PolarHBondContact O-N 3.11Å; L139-H141 PolarHBondContact O-N 3.45Å; L139-H141 VanDerWaalsContact O-N 3.08Å
142V83.3Confident84.1Confident7 Ų762.2 Ų62.24%0.04233%0.333CS..  trans-101.899.9-173.3176.40000109.2V107 Q138 L139 D147 V148 L154V107-V142 HydrophobicContact CG1-CG1 4.33Å; V107-V142 WeakPolarHBondContact CG2-O 3.45Å; Q138-V142 WeakPolarHBondContact O-CG2 3.47Å; L139-V142 PolarHBondContact O-N 3.24Å; V142-D147 HydrophobicContact CB-CB 4.34Å; V142-D147 HydrophobicContact CG1-CB 4.15Å; V142-D147 HydrophobicContact CG2-CB 4.3Å; V142-V148 HydrophobicContact CG1-CB 4.43Å; V142-V148 HydrophobicContact CG1-CG2 3.43Å; V142-V148 VanDerWaalsContact CG1-CG2 3.43Å; V142-L154 HydrophobicContact CB-CD1 4.4Å; V142-L154 HydrophobicContact CG1-CD1 4.18Å; V142-L154 HydrophobicContact CG2-CD1 3.67Å
143V80.5Confident84.1Confident52 Ų5264.4 Ų64.432%0.31534%0.342SS..  trans-122-15.6-175.5-171.70000111.6K112 D147K112-V143 HydrophobicContact CB-CG1 3.91Å; K112-V143 HydrophobicContact CD-CG1 3.86Å; K112-V143 HydrophobicContact CG-CG1 3.68Å; V143-D147 PolarHBondContact N-OD2 3.35Å
144T83.6Confident84Confident42 Ų4258.7 Ų58.726%0.25832%0.321SS..SBendtrans-126158178.472.40000112Q146 D147 V148T144-Q146 PolarHBondContact O-N 3.31Å; T144-D147 WeakPolarHBondContact CB-OD2 3.19Å; T144-D147 PolarHBondContact N-OD2 3.34Å; T144-D147 WeakPolarHBondContact O-CB 3.49Å; T144-D147 PolarHBondContact O-N 2.88Å; T144-D147 PolarHBondContact OG1-N 2.95Å; T144-D147 PolarHBondContact OG1-OD1 3.08Å; T144-D147 PolarHBondContact OG1-OD2 2.99Å; T144-V148 PolarHBondContact O-N 3.24Å
145A81.4Confident83.9Confident55 Ų5561.5 Ų61.546%0.45533%0.325SS..Hα-helixtrans-59.4-26.2174.700000113.1A149A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 3.44Å
146Q82.1Confident83.7Confident161 Ų16163.7 Ų63.775%0.75234%0.34SS*.Hα-helixtrans-69.5-36.3174.6-70.7-179.1-1200111.8T144 V148 A149 A150T144-Q146 PolarHBondContact O-N 3.31Å; Q146-V148 VanDerWaalsContact C-N 3.35Å; Q146-A149 CarbonylContact O-C 3.58Å; Q146-A149 PolarHBondContact O-N 3.13Å; Q146-A150 PolarHBondContact O-N 2.67Å
147D83.8Confident83.4Confident57 Ų5765.2 Ų65.231%0.30535%0.347SS..Hα-helixtrans-67.3-39177-52.1-41.4000110.9V142 V143 T144 A149 A150 N151V142-D147 HydrophobicContact CB-CB 4.34Å; V142-D147 HydrophobicContact CG1-CB 4.15Å; V142-D147 HydrophobicContact CG2-CB 4.3Å; V143-D147 PolarHBondContact N-OD2 3.35Å; T144-D147 WeakPolarHBondContact CB-OD2 3.19Å; T144-D147 PolarHBondContact N-OD2 3.34Å; T144-D147 WeakPolarHBondContact O-CB 3.49Å; T144-D147 PolarHBondContact O-N 2.88Å; T144-D147 PolarHBondContact OG1-N 2.95Å; T144-D147 PolarHBondContact OG1-OD1 3.08Å; T144-D147 PolarHBondContact OG1-OD2 2.99Å; D147-A149 VanDerWaalsContact C-N 3.35Å; D147-A150 PolarHBondContact O-N 3.29Å; D147-N151 PolarHBondContact O-N 2.86Å
148V82.9Confident83.2Confident13 Ų1365 Ų658%0.07935%0.348CS..Hα-helixtrans-60.8-46.6172.2-178.10000110.2L104 V107 V142 T144 Q146 A150 N151 L154 L158L104-V148 HydrophobicContact CD2-CG1 4.21Å; L104-V148 HydrophobicContact CD2-CG2 3.93Å; V107-V148 HydrophobicContact CG1-CG2 3.78Å; V142-V148 HydrophobicContact CG1-CB 4.43Å; V142-V148 HydrophobicContact CG1-CG2 3.43Å; V142-V148 VanDerWaalsContact CG1-CG2 3.43Å; T144-V148 PolarHBondContact O-N 3.24Å; Q146-V148 VanDerWaalsContact C-N 3.35Å; V148-A150 PolarHBondContact O-N 3.31Å; V148-N151 PolarHBondContact O-N 3.36Å; V148-L154 HydrophobicContact CG1-CB 4.39Å; V148-L158 HydrophobicContact CG1-CD1 3.57Å
149A81.8Confident82.9Confident56 Ų5668 Ų6846%0.46336%0.362SS..Hα-helixtrans-66.2-23.7178.600000113A145 Q146 D147 R155A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 3.44Å; Q146-A149 CarbonylContact O-C 3.58Å; Q146-A149 PolarHBondContact O-N 3.13Å; D147-A149 VanDerWaalsContact C-N 3.35Å; A149-R155 PolarHBondContact O-NH2 2.99Å
150A86Confident82.6Confident77 Ų7773.6 Ų73.664%0.63639%0.388SS*.Hα-helixtrans-78.6-27.2176.400000113Q146 D147 V148 P152Q146-A150 PolarHBondContact O-N 2.67Å; D147-A150 PolarHBondContact O-N 3.29Å; V148-A150 PolarHBondContact O-N 3.31Å; A150-P152 WeakPolarHBondContact O-CD 3.39Å
151N85.3Confident82.3Confident23 Ų2369 Ų6912%0.12337%0.373CS..  trans-91.3114.2-177.2-170.4-30.3000112Q138 D147 V148 K153 L154 R155Q138-N151 PolarHBondContact OE1-ND2 3.16Å; D147-N151 PolarHBondContact O-N 2.86Å; V148-N151 PolarHBondContact O-N 3.36Å; N151-K153 VanDerWaalsContact C-N 3.32Å; N151-K153 PolarHBondContact O-N 3.23Å; N151-K153 PolarHBondContact OD1-N 3.03Å; N151-L154 HydrophobicContact CB-CB 4.18Å; N151-L154 HydrophobicContact CB-CD1 3.96Å; N151-L154 HydrophobicContact CB-CG 4.1Å; N151-L154 PolarHBondContact O-N 3.27Å; N151-R155 PolarHBondContact O-N 3.03Å
152P82.8Confident82.2Confident86 Ų8666.2 Ų66.256%0.55836%0.357SS*.Hα-helixtrans-66.4-30.5-177.727.3-34.5000113.4A150 S156A150-P152 WeakPolarHBondContact O-CD 3.39Å; P152-S156 PolarHBondContact O-N 2.99Å
153K82.5Confident82.1Confident93 Ų9368.6 Ų68.640%0.40437%0.371SS..Hα-helixtrans-68.3-48178.2-69.1-172.7179-175.70110.7S134 V135 N151 R155 S156 F157S134-K153 PolarHBondContact OG-NZ 2.95Å; V135-K153 HydrophobicContact CG2-CD 4.15Å; N151-K153 VanDerWaalsContact C-N 3.32Å; N151-K153 PolarHBondContact O-N 3.23Å; N151-K153 PolarHBondContact OD1-N 3.03Å; K153-R155 VanDerWaalsContact C-N 3.29Å; K153-R155 PolarHBondContact O-N 3.26Å; K153-S156 WeakPolarHBondContact O-CB 3.23Å; K153-S156 PolarHBondContact O-N 3.28Å; K153-S156 VanDerWaalsContact O-N 3.13Å; K153-F157 VanDerWaalsContact O-CD2 3.29Å; K153-F157 WeakPolarHBondContact O-CD2 3.2Å; K153-F157 PolarHBondContact O-N 3.24Å; K153-F157 VanDerWaalsContact O-N 3.11Å
154L83.1Confident82.3Confident0 Ų066.5 Ų66.50%036%0.359CS..Hα-helixtrans-65.4-35178.7-62.1178.2000111.9L104 V135 L139 V142 V148 N151 S156 F157 L158L104-L154 HydrophobicContact CD2-CD1 4.27Å; L104-L154 HydrophobicContact CD2-CD2 4.4Å; V135-L154 HydrophobicContact CG1-CD2 4.04Å; L139-L154 HydrophobicContact CD2-CD2 4.38Å; L139-L154 HydrophobicContact CG-CD2 4.26Å; V142-L154 HydrophobicContact CB-CD1 4.4Å; V142-L154 HydrophobicContact CG1-CD1 4.18Å; V142-L154 HydrophobicContact CG2-CD1 3.67Å; V148-L154 HydrophobicContact CG1-CB 4.39Å; N151-L154 HydrophobicContact CB-CB 4.18Å; N151-L154 HydrophobicContact CB-CD1 3.96Å; N151-L154 HydrophobicContact CB-CG 4.1Å; N151-L154 PolarHBondContact O-N 3.27Å; L154-S156 VanDerWaalsContact C-N 3.34Å; L154-F157 WeakPolarHBondContact O-CB 3.35Å; L154-F157 PolarHBondContact O-N 2.99Å; L154-L158 PolarHBondContact O-N 3.32Å
155R82.8Confident82.3Confident101 Ų10170 Ų7038%0.38137%0.372SS..Hα-helixtrans-61-44.5171.6-159-171.5-52.9122.71.7111.7A149 N151 K153 F157 L158 E159A149-R155 PolarHBondContact O-NH2 2.99Å; N151-R155 PolarHBondContact O-N 3.03Å; K153-R155 VanDerWaalsContact C-N 3.29Å; K153-R155 PolarHBondContact O-N 3.26Å; R155-F157 VanDerWaalsContact C-N 3.29Å; R155-F157 PolarHBondContact O-N 3.35Å; R155-L158 PolarHBondContact O-N 3.41Å; R155-E159 WeakPolarHBondContact CD-OE1 3.5Å; R155-E159 HydrophobicContact CG-CG 4.38Å; R155-E159 WeakPolarHBondContact CG-OE1 3.3Å; R155-E159 WeakPolarHBondContact O-CG 3.21Å; R155-E159 PolarHBondContact O-N 3.27Å
156S81.6Confident82.4Confident53 Ų5367.5 Ų67.537%0.37135%0.351SS..Hα-helixtrans-58.8-39.4175.8-172.20000112.6P152 K153 L154 L158 E159 H160P152-S156 PolarHBondContact O-N 2.99Å; K153-S156 WeakPolarHBondContact O-CB 3.23Å; K153-S156 PolarHBondContact O-N 3.28Å; K153-S156 VanDerWaalsContact O-N 3.13Å; L154-S156 VanDerWaalsContact C-N 3.34Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 3Å; S156-E159 PolarHBondContact O-N 2.93Å; S156-H160 PolarHBondContact O-N 3.14Å; S156-H160 PolarHBondContact O-ND1 3.43Å; S156-H160 VanDerWaalsContact O-ND1 3.13Å
157F82Confident82.5Confident33 Ų3361.6 Ų61.615%0.14533%0.326CS..Hα-helixtrans-62.2-32.9174-86.3-84.4000113.3Y96 I100 Y101 V135 K153 L154 R155 Y162Y96-F157 HydrophobicContact CE1-CZ 4.41Å; I100-F157 HydrophobicContact CD1-CE1 4.14Å; I100-F157 HydrophobicContact CD1-CE2 4.47Å; I100-F157 HydrophobicContact CD1-CZ 3.99Å; Y101-F157 HydrophobicContact CE1-CB 4.2Å; Y101-F157 WeakPolarHBondContact CE1-O 3.32Å; Y101-F157 AromaticContact CZ-CD1 3.98Å; Y101-F157 PolarHBondContact OH-O 3.5Å; V135-F157 HydrophobicContact CG1-CE2 4.22Å; K153-F157 VanDerWaalsContact O-CD2 3.29Å; K153-F157 WeakPolarHBondContact O-CD2 3.2Å; K153-F157 PolarHBondContact O-N 3.24Å; K153-F157 VanDerWaalsContact O-N 3.11Å; L154-F157 WeakPolarHBondContact O-CB 3.35Å; L154-F157 PolarHBondContact O-N 2.99Å; R155-F157 VanDerWaalsContact C-N 3.29Å; R155-F157 PolarHBondContact O-N 3.35Å; F157-Y162 AromaticContact CD1-CD2 3.98Å; F157-Y162 HydrophobicContact CD1-CD2 3.98Å; F157-Y162 AromaticContact CE1-CD2 3.42Å; F157-Y162 HydrophobicContact CE1-CD2 3.42Å; F157-Y162 VanDerWaalsContact CE1-CD2 3.42Å; F157-Y162 AromaticContact CE1-CE2 3.62Å; F157-Y162 HydrophobicContact CE1-CE2 3.62Å; F157-Y162 HydrophobicContact CE1-CG 4.48Å; F157-Y162 HydrophobicContact CZ-CD2 4.35Å; F157-Y162 HydrophobicContact CZ-CE2 4.17Å
158L81.4Confident82.2Confident82 Ų8262.1 Ų62.143%0.42933%0.327SS..Hα-helixtrans-83.4-28.4177.6-67.4175.6000112.7L104 V148 L154 R155 S156L104-L158 HydrophobicContact CD1-CD2 4.04Å; L104-L158 HydrophobicContact CD1-CG 4.2Å; V148-L158 HydrophobicContact CG1-CD1 3.57Å; L154-L158 PolarHBondContact O-N 3.32Å; R155-L158 PolarHBondContact O-N 3.41Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 3Å
159E79Confident82.1Confident130 Ų13063.6 Ų63.661%0.60734%0.336SS*.Hα-helixtrans-79.9-29179.2-73.4173.3-17900112.8R155 S156R155-E159 WeakPolarHBondContact CD-OE1 3.5Å; R155-E159 HydrophobicContact CG-CG 4.38Å; R155-E159 WeakPolarHBondContact CG-OE1 3.3Å; R155-E159 WeakPolarHBondContact O-CG 3.21Å; R155-E159 PolarHBondContact O-N 3.27Å; S156-E159 PolarHBondContact O-N 2.93Å
160H79.7Confident82.3Confident118 Ų11860.9 Ų60.955%0.54631%0.314SS..SBendtrans-122.7140.1-177-53.586.1000111.2S156 Y162S156-H160 PolarHBondContact O-N 3.14Å; S156-H160 PolarHBondContact O-ND1 3.43Å; S156-H160 VanDerWaalsContact O-ND1 3.13Å; H160-Y162 PolarHBondContact O-N 3Å
161K79.5Confident82.1Confident70 Ų7058 Ų5830%0.30429%0.287SS..PPolyproline II helixtrans-69131.6171.9-65-170.8-176.8-176.50109.7E50 V163 H193 Q195E50-K161 IonicContact OE1-NZ 2.63Å; E50-K161 PolarHBondContact OE1-NZ 2.87Å; K161-V163 PolarHBondContact O-N 2.82Å; K161-H193 CarbonylContact C-O 3.57Å; K161-H193 WeakPolarHBondContact CA-O 3.5Å; K161-Q195 HydrophobicContact CB-CB 4.11Å; K161-Q195 HydrophobicContact CD-CB 4.45Å
162Y81Confident81.9Confident81 Ų8159.3 Ų59.332%0.31830%0.298SS..EExtended strand (participates in β ladder)trans-75.6120.9176.2-165.7-87.7000110P97 Y101 F157 H160 V164 H193 L194 Q195P97-Y162 HydrophobicContact CB-CD1 3.64Å; P97-Y162 HydrophobicContact CB-CE1 3.98Å; P97-Y162 HydrophobicContact CB-CG 3.95Å; P97-Y162 HydrophobicContact CG-CD1 3.83Å; P97-Y162 HydrophobicContact CG-CE1 3.87Å; Y101-Y162 WeakPolarHBondContact OH-CB 3.39Å; F157-Y162 AromaticContact CD1-CD2 3.98Å; F157-Y162 HydrophobicContact CD1-CD2 3.98Å; F157-Y162 AromaticContact CE1-CD2 3.42Å; F157-Y162 HydrophobicContact CE1-CD2 3.42Å; F157-Y162 VanDerWaalsContact CE1-CD2 3.42Å; F157-Y162 AromaticContact CE1-CE2 3.62Å; F157-Y162 HydrophobicContact CE1-CE2 3.62Å; F157-Y162 HydrophobicContact CE1-CG 4.48Å; F157-Y162 HydrophobicContact CZ-CD2 4.35Å; F157-Y162 HydrophobicContact CZ-CE2 4.17Å; H160-Y162 PolarHBondContact O-N 3Å; Y162-V164 HydrophobicContact CD1-CG2 3.7Å; Y162-V164 HydrophobicContact CE1-CG2 3.93Å; Y162-H193 PolarHBondContact N-O 3.46Å; Y162-L194 WeakPolarHBondContact O-CA 3.36Å; Y162-Q195 PolarHBondContact O-N 2.92Å
163V82.1Confident82Confident58 Ų5857.1 Ų57.135%0.35228%0.279SS..EExtended strand (participates in β ladder)trans-87.7124.8-176.1-174.60000110.3K161 Q195 E197K161-V163 PolarHBondContact O-N 2.82Å; V163-Q195 CarbonylContact C-O 3.56Å; V163-Q195 WeakPolarHBondContact CA-O 3.36Å; V163-Q195 HydrophobicContact CG2-CB 4.33Å; V163-E197 HydrophobicContact CG1-CB 4.49Å; V163-E197 HydrophobicContact CG1-CG 3.89Å
164V83.6Confident82.2Confident7 Ų753 Ų534%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-120.8130.5174.1-177.90000109.2S93 L94 P97 Y162 L166 L194 Q195 V196 E197S93-V164 WeakPolarHBondContact OG-CG1 3.48Å; L94-V164 HydrophobicContact CD2-CB 3.84Å; L94-V164 HydrophobicContact CD2-CG1 3.74Å; L94-V164 HydrophobicContact CD2-CG2 3.8Å; L94-V164 HydrophobicContact CG-CG1 4.09Å; P97-V164 HydrophobicContact CG-CG2 4.25Å; Y162-V164 HydrophobicContact CD1-CG2 3.7Å; Y162-V164 HydrophobicContact CE1-CG2 3.93Å; V164-L166 HydrophobicContact CG1-CD2 4.21Å; V164-L166 HydrophobicContact CG1-CG 4.35Å; V164-L194 HydrophobicContact CG2-CD2 4.06Å; V164-Q195 PolarHBondContact N-O 3.01Å; V164-V196 CarbonylContact O-C 3.51Å; V164-V196 WeakPolarHBondContact O-CA 3.03Å; V164-E197 PolarHBondContact O-N 3.41Å
165H83.3Confident82.1Confident116 Ų11654 Ų5454%0.53727%0.267SS..EExtended strand (participates in β ladder)trans-99.5123.8-179.4-60.180.4000109.2E197H165-E197 WeakPolarHBondContact CA-O 3.33Å; H165-E197 IonicContact CD2-OE2 3.91Å; H165-E197 IonicContact NE2-OE2 3.94Å; H165-E197 PolarHBondContact NE2-OE2 3.48Å
166L83.7Confident82.1Confident2 Ų258 Ų581%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-124.2152.7176.5-62.4-179.6000110.4E90 L94 V164 H171 L174 V196 E197 V198 T199E90-L166 HydrophobicContact CB-CD2 4.31Å; L94-L166 HydrophobicContact CD1-CD1 4.19Å; V164-L166 HydrophobicContact CG1-CD2 4.21Å; V164-L166 HydrophobicContact CG1-CG 4.35Å; L166-H171 HydrophobicContact CB-CB 4.41Å; L166-L174 HydrophobicContact CD1-CD2 4.15Å; L166-V196 HydrophobicContact CB-CG1 4.44Å; L166-V196 HydrophobicContact CD1-CG1 3.6Å; L166-V196 HydrophobicContact CG-CG1 4.03Å; L166-E197 PolarHBondContact N-O 3.43Å; L166-V198 CarbonylContact O-C 3.58Å; L166-V198 WeakPolarHBondContact O-CA 3.21Å; L166-T199 PolarHBondContact O-N 2.96Å; L166-T199 PolarHBondContact O-OG1 2.92Å; L166-T199 VanDerWaalsContact O-OG1 3.07Å
167T84.1Confident82.3Confident38 Ų3856 Ų5623%0.23327%0.266CS..EExtended strand (participates in β ladder)trans-78155.6165.660.10000111.1E90 P169 A170 H171E90-T167 WeakPolarHBondContact OE2-CB 3.45Å; E90-T167 VanDerWaalsContact OE2-CG2 3.26Å; E90-T167 WeakPolarHBondContact OE2-CG2 3.4Å; E90-T167 PolarHBondContact OE2-N 2.68Å; E90-T167 PolarHBondContact OE2-OG1 2.95Å; T167-P169 VanDerWaalsContact C-CD 3.49Å; T167-A170 PolarHBondContact O-N 2.91Å; T167-A170 VanDerWaalsContact O-N 3.13Å; T167-A170 WeakPolarHBondContact OG1-CB 3.37Å; T167-H171 WeakPolarHBondContact O-CB 3.3Å; T167-H171 PolarHBondContact O-N 3.39Å
168E78.4Confident82.5Confident68 Ų6854.6 Ų54.632%0.31826%0.26SS..Hα-helixtrans-52.6-41.4177.2-176-178.6179.200114.2S172 V198 T199 S201E168-S172 WeakPolarHBondContact O-CB 3.3Å; E168-S172 PolarHBondContact O-N 3.03Å; E168-S172 PolarHBondContact O-OG 2.64Å; E168-V198 HydrophobicContact CB-CG1 4.14Å; E168-T199 PolarHBondContact N-O 3.37Å; E168-S201 PolarHBondContact OE2-N 3.37Å
169P81.1Confident82.3Confident43 Ų4353.7 Ų53.728%0.27925%0.254SS..Hα-helixtrans-68.1-40.4174.6-20.434.4000113.1Y87 T167 S172 Y173Y87-P169 HydrophobicContact CD1-CB 3.96Å; Y87-P169 HydrophobicContact CD2-CB 4.46Å; Y87-P169 HydrophobicContact CE1-CB 3.54Å; Y87-P169 HydrophobicContact CE1-CG 4.1Å; Y87-P169 HydrophobicContact CE2-CB 4.09Å; Y87-P169 HydrophobicContact CG-CB 4.41Å; T167-P169 VanDerWaalsContact C-CD 3.49Å; P169-S172 PolarHBondContact O-N 3.19Å; P169-Y173 WeakPolarHBondContact O-CB 3.49Å; P169-Y173 PolarHBondContact O-N 2.92Å
170A84.8Confident82.4Confident0 Ų051.1 Ų51.10%025%0.25CS..Hα-helixtrans-65.7-39.6177.300000112.1Y87 E90 V91 T167 Y173 L174Y87-A170 HydrophobicContact CD1-CB 4.35Å; E90-A170 HydrophobicContact CB-CB 4Å; E90-A170 WeakPolarHBondContact OE2-CB 3.26Å; V91-A170 HydrophobicContact CG2-CB 4.13Å; V91-A170 WeakPolarHBondContact CG2-O 3.25Å; T167-A170 PolarHBondContact O-N 2.91Å; T167-A170 VanDerWaalsContact O-N 3.13Å; T167-A170 WeakPolarHBondContact OG1-CB 3.37Å; A170-Y173 WeakPolarHBondContact O-CB 3.4Å; A170-Y173 PolarHBondContact O-N 3.45Å; A170-L174 PolarHBondContact O-N 2.93Å
171H82.3Confident82.3Confident16 Ų1649.3 Ų49.37%0.07425%0.245CC..Hα-helixtrans-62.8-43.4172.3178-100000112.1L166 T167 Y173 L174 L175 V198L166-H171 HydrophobicContact CB-CB 4.41Å; T167-H171 WeakPolarHBondContact O-CB 3.3Å; T167-H171 PolarHBondContact O-N 3.39Å; H171-Y173 VanDerWaalsContact C-N 3.28Å; H171-Y173 PolarHBondContact O-N 2.76Å; H171-L174 PolarHBondContact O-N 3.38Å; H171-L175 WeakPolarHBondContact CE1-CD1 3.32Å; H171-L175 PolarHBondContact O-N 2.87Å; H171-V198 HydrophobicContact CB-CG1 4.13Å; H171-V198 HydrophobicContact CB-CG2 3.91Å; H171-V198 VanDerWaalsContact CD2-CG2 3.49Å; H171-V198 WeakPolarHBondContact CD2-CG2 3.5Å
172S80.6Confident82.3Confident51 Ų5148.7 Ų48.736%0.35725%0.245SC..Hα-helixtrans-63.3-35.8175.8-58.30000112.2E168 P169 L175 R176E168-S172 WeakPolarHBondContact O-CB 3.3Å; E168-S172 PolarHBondContact O-N 3.03Å; E168-S172 PolarHBondContact O-OG 2.64Å; P169-S172 PolarHBondContact O-N 3.19Å; S172-L175 PolarHBondContact O-N 3.04Å; S172-R176 WeakPolarHBondContact O-CG 3.07Å; S172-R176 PolarHBondContact O-N 2.93Å; S172-R176 VanDerWaalsContact O-N 3.1Å
173Y85.6Confident82.4Confident40 Ų4045 Ų4516%0.15723%0.23CC..Hα-helixtrans-64.7-46.4174.5-174.2-108.1000111.9F79 L80 T83 I85 A88 V91 P169 A170 H171 L175 R176 Y177F79-Y173 HydrophobicContact CD1-CE1 4.41Å; F79-Y173 HydrophobicContact CE1-CD1 4.28Å; F79-Y173 AromaticContact CE1-CE1 3.43Å; F79-Y173 HydrophobicContact CE1-CE1 3.43Å; F79-Y173 VanDerWaalsContact CE1-CE1 3.43Å; F79-Y173 HydrophobicContact CE1-CE2 4.37Å; F79-Y173 AromaticContact CE1-CZ 3.5Å; F79-Y173 VanDerWaalsContact CE1-CZ 3.5Å; F79-Y173 WeakPolarHBondContact CE1-OH 3.34Å; F79-Y173 AromaticContact CZ-CE1 3.81Å; F79-Y173 HydrophobicContact CZ-CE1 3.81Å; F79-Y173 AromaticContact CZ-CE2 3.91Å; F79-Y173 HydrophobicContact CZ-CE2 3.91Å; F79-Y173 AromaticContact CZ-CZ 3.33Å; F79-Y173 WeakPolarHBondContact CZ-OH 3.37Å; L80-Y173 HydrophobicContact CD2-CE1 4.28Å; T83-Y173 WeakPolarHBondContact CG2-OH 3.48Å; T83-Y173 PolarHBondContact OG1-OH 3.11Å; I85-Y173 HydrophobicContact CD1-CE2 4.28Å; A88-Y173 HydrophobicContact CB-CE1 4.24Å; V91-Y173 HydrophobicContact CG2-CD1 4.43Å; P169-Y173 WeakPolarHBondContact O-CB 3.49Å; P169-Y173 PolarHBondContact O-N 2.92Å; A170-Y173 WeakPolarHBondContact O-CB 3.4Å; A170-Y173 PolarHBondContact O-N 3.45Å; H171-Y173 VanDerWaalsContact C-N 3.28Å; H171-Y173 PolarHBondContact O-N 2.76Å; Y173-L175 PolarHBondContact O-N 3.18Å; Y173-R176 PolarHBondContact O-N 3.42Å; Y173-Y177 PolarHBondContact O-N 3.46Å
174L86.4Confident82.3Confident5 Ų543 Ų433%0.02622%0.219CC..Hα-helixtrans-58.5-46.6173.5174.365.2000111.6V91 L94 L166 A170 H171 R176 Y177 L178V91-L174 HydrophobicContact CG1-CB 4.23Å; V91-L174 HydrophobicContact CG1-CD1 3.93Å; V91-L174 HydrophobicContact CG2-CB 4.21Å; L94-L174 HydrophobicContact CD1-CD1 4.25Å; L94-L174 HydrophobicContact CD1-CD2 3.49Å; L94-L174 VanDerWaalsContact CD1-CD2 3.49Å; L94-L174 HydrophobicContact CD1-CG 4.47Å; L166-L174 HydrophobicContact CD1-CD2 4.15Å; A170-L174 PolarHBondContact O-N 2.93Å; H171-L174 PolarHBondContact O-N 3.38Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 2.94Å; L174-Y177 WeakPolarHBondContact O-CB 3.24Å; L174-Y177 PolarHBondContact O-N 3.27Å; L174-Y177 VanDerWaalsContact O-N 3.16Å; L174-L178 HydrophobicContact CD1-CD1 4.26Å; L174-L178 HydrophobicContact CD1-CD2 4.5Å; L174-L178 HydrophobicContact CD1-CG 4.16Å; L174-L178 HydrophobicContact CG-CD1 4.05Å; L174-L178 HydrophobicContact CG-CG 4.34Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.44Å
175L81.7Confident82.1Confident22 Ų2242.7 Ų42.712%0.11522%0.217CC..Hα-helixtrans-60.3-41.9-180-78.6178.6000112.5V57 H171 S172 Y173 Y177 L178 Q179 C406V57-L175 HydrophobicContact CG2-CD2 4.33Å; H171-L175 WeakPolarHBondContact CE1-CD1 3.32Å; H171-L175 PolarHBondContact O-N 2.87Å; S172-L175 PolarHBondContact O-N 3.04Å; Y173-L175 PolarHBondContact O-N 3.18Å; L175-Y177 VanDerWaalsContact C-N 3.3Å; L175-Y177 PolarHBondContact O-N 3.19Å; L175-L178 PolarHBondContact O-N 3.23Å; L175-L178 VanDerWaalsContact O-N 3.16Å; L175-Q179 WeakPolarHBondContact O-CB 3.49Å; L175-Q179 VanDerWaalsContact O-CG 3.22Å; L175-Q179 WeakPolarHBondContact O-CG 3.47Å; L175-Q179 PolarHBondContact O-N 2.83Å; L175-C406 HydrophobicContact CD2-CB 4.06Å
176R82.6Confident82.1Confident184 Ų18437.2 Ų37.269%0.69419%0.192SC*.Hα-helixtrans-61.1-39.7175.7-75.4-178.3-176.6169.63.4112.3S172 Y173 L174 Q179 S180S172-R176 WeakPolarHBondContact O-CG 3.07Å; S172-R176 PolarHBondContact O-N 2.93Å; S172-R176 VanDerWaalsContact O-N 3.1Å; Y173-R176 PolarHBondContact O-N 3.42Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 2.94Å; R176-Q179 PolarHBondContact O-N 3.14Å; R176-S180 PolarHBondContact O-N 3.47Å
177Y86.3Confident82Confident11 Ų1137.3 Ų37.34%0.04319%0.192CC..Hα-helixtrans-64.5-44.2173.8175.6-89.1000111.3R75 L76 F79 Y173 L174 L175 Q179 S180 N183R75-Y177 WeakPolarHBondContact CB-OH 3.4Å; R75-Y177 WeakPolarHBondContact CG-OH 3.27Å; L76-Y177 WeakPolarHBondContact CA-OH 3.48Å; L76-Y177 HydrophobicContact CB-CE1 4Å; L76-Y177 HydrophobicContact CD1-CD1 3.66Å; L76-Y177 HydrophobicContact CD1-CE1 3.52Å; L76-Y177 HydrophobicContact CD1-CG 4.28Å; L76-Y177 HydrophobicContact CG-CE1 4.32Å; L76-Y177 PolarHBondContact N-OH 2.93Å; F79-Y177 HydrophobicContact CB-CD2 4.12Å; F79-Y177 HydrophobicContact CB-CE2 3.77Å; F79-Y177 AromaticContact CD1-CD2 3.31Å; F79-Y177 HydrophobicContact CD1-CD2 3.31Å; F79-Y177 AromaticContact CD1-CE2 3.84Å; F79-Y177 HydrophobicContact CD1-CE2 3.84Å; F79-Y177 AromaticContact CD1-CG 3.93Å; F79-Y177 HydrophobicContact CD1-CG 3.93Å; F79-Y177 AromaticContact CD2-CD2 3.97Å; F79-Y177 HydrophobicContact CD2-CD2 3.97Å; F79-Y177 HydrophobicContact CD2-CE2 4.29Å; F79-Y177 AromaticContact CE1-CD2 3.55Å; F79-Y177 HydrophobicContact CE1-CD2 3.55Å; F79-Y177 AromaticContact CE1-CG 3.92Å; F79-Y177 HydrophobicContact CE1-CG 3.92Å; F79-Y177 HydrophobicContact CE2-CD2 4.18Å; F79-Y177 AromaticContact CG-CD2 3.52Å; F79-Y177 HydrophobicContact CG-CD2 3.52Å; F79-Y177 AromaticContact CG-CE2 3.71Å; F79-Y177 HydrophobicContact CG-CE2 3.71Å; F79-Y177 AromaticContact CZ-CD2 3.98Å; F79-Y177 HydrophobicContact CZ-CD2 3.98Å; Y173-Y177 PolarHBondContact O-N 3.46Å; L174-Y177 WeakPolarHBondContact O-CB 3.24Å; L174-Y177 PolarHBondContact O-N 3.27Å; L174-Y177 VanDerWaalsContact O-N 3.16Å; L175-Y177 VanDerWaalsContact C-N 3.3Å; L175-Y177 PolarHBondContact O-N 3.19Å; Y177-Q179 PolarHBondContact O-N 3.3Å; Y177-S180 PolarHBondContact O-N 2.81Å; Y177-S180 PolarHBondContact O-OG 2.7Å; Y177-N183 VanDerWaalsContact CE1-OD1 3.32Å; Y177-N183 WeakPolarHBondContact CE1-OD1 3.4Å; Y177-N183 PolarHBondContact O-ND2 3.5Å
178L84.8Confident81.7Confident4 Ų436.7 Ų36.72%0.02119%0.186CC..Hα-helixtrans-63.6-28.9179-65.9176.7000112.6V57 L174 L175 N183 I186 L190 L408V57-L178 HydrophobicContact CG2-CD1 4.19Å; L174-L178 HydrophobicContact CD1-CD1 4.26Å; L174-L178 HydrophobicContact CD1-CD2 4.5Å; L174-L178 HydrophobicContact CD1-CG 4.16Å; L174-L178 HydrophobicContact CG-CD1 4.05Å; L174-L178 HydrophobicContact CG-CG 4.34Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.44Å; L175-L178 PolarHBondContact O-N 3.23Å; L175-L178 VanDerWaalsContact O-N 3.16Å; L178-N183 HydrophobicContact CD2-CB 3.9Å; L178-N183 PolarHBondContact O-ND2 2.92Å; L178-I186 HydrophobicContact CD2-CB 4.42Å; L178-I186 HydrophobicContact CD2-CG2 3.89Å; L178-L190 HydrophobicContact CD1-CD1 3.79Å; L178-L190 HydrophobicContact CD2-CD1 4.34Å; L178-L408 HydrophobicContact CB-CD1 4.49Å; L178-L408 HydrophobicContact CB-CD2 4.02Å; L178-L408 WeakPolarHBondContact O-CD2 3.43Å
179Q78.5Confident81.7Confident64 Ų6433.6 Ų33.630%0.29917%0.172SC..Hα-helixtrans-79-22.6177.8-72.5164.8-400114.1L175 R176 Y177 C406 L408L175-Q179 WeakPolarHBondContact O-CB 3.49Å; L175-Q179 VanDerWaalsContact O-CG 3.22Å; L175-Q179 WeakPolarHBondContact O-CG 3.47Å; L175-Q179 PolarHBondContact O-N 2.83Å; R176-Q179 PolarHBondContact O-N 3.14Å; Y177-Q179 PolarHBondContact O-N 3.3Å; Q179-C406 PolarHBondContact NE2-O 3.33Å; Q179-L408 HydrophobicContact CB-CD2 4.43Å; Q179-L408 HydrophobicContact CG-CD2 3.76Å
180S80Confident81.7Confident76 Ų7631.9 Ų31.953%0.53116%0.16SC..Hα-helixtrans-75.3-32.3-168.966.80000114.2R176 Y177R176-S180 PolarHBondContact O-N 3.47Å; Y177-S180 PolarHBondContact O-N 2.81Å; Y177-S180 PolarHBondContact O-OG 2.7Å
181D79.1Confident81.2Confident80 Ų8032.2 Ų32.243%0.42816%0.163SC..SBendtrans-142.8172.4-170.5-84.6-46.6000111.1R75 N183R75-D181 IonicContact CZ-OD2 3.66Å; R75-D181 IonicContact NH1-OD1 3.75Å; R75-D181 PolarHBondContact NH1-OD1 3.05Å; R75-D181 IonicContact NH1-OD2 3.76Å; R75-D181 PolarHBondContact NH1-OD2 3.13Å; D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 PolarHBondContact O-ND2 3.36Å; D181-N183 VanDerWaalsContact O-ND2 3.14Å
182D79.2Confident80.8Confident57 Ų5734 Ų3431%0.30518%0.175SC..  trans-66.295.6168.7-1758.3000111.2Q72 S184Q72-D182 VanDerWaalsContact CD-O 3.28Å; Q72-D182 WeakPolarHBondContact CG-O 3.36Å; Q72-D182 PolarHBondContact NE2-O 3.26Å; D182-S184 WeakPolarHBondContact OD1-CB 3.33Å; D182-S184 PolarHBondContact OD1-N 2.92Å; D182-S184 VanDerWaalsContact OD1-N 3.08Å; D182-S184 PolarHBondContact OD1-OG 3.31Å
183N82.9Confident80.6Confident3 Ų333.7 Ų33.72%0.01617%0.168CC..  trans-108.328.2174.3-66.6-66.6000112Y177 L178 D181 A185 I186 C187Y177-N183 VanDerWaalsContact CE1-OD1 3.32Å; Y177-N183 WeakPolarHBondContact CE1-OD1 3.4Å; Y177-N183 PolarHBondContact O-ND2 3.5Å; L178-N183 HydrophobicContact CD2-CB 3.9Å; L178-N183 PolarHBondContact O-ND2 2.92Å; D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 PolarHBondContact O-ND2 3.36Å; D181-N183 VanDerWaalsContact O-ND2 3.14Å; N183-A185 VanDerWaalsContact C-N 3.3Å; N183-A185 PolarHBondContact O-N 3.29Å; N183-I186 PolarHBondContact O-N 3.46Å; N183-I186 VanDerWaalsContact O-N 3.15Å; N183-C187 WeakPolarHBondContact O-CB 3.49Å; N183-C187 PolarHBondContact O-N 2.8Å; N183-C187 PolarHBondContact O-SG 3.22Å; N183-C187 VanDerWaalsContact O-SG 3.34Å
184S78.8Confident80.3Confident15 Ų1531.9 Ų31.911%0.10516%0.161CC..Hα-helixtrans-57.2-34.4-172.8510000114.9D182 R188D182-S184 WeakPolarHBondContact OD1-CB 3.33Å; D182-S184 PolarHBondContact OD1-N 2.92Å; D182-S184 VanDerWaalsContact OD1-N 3.08Å; D182-S184 PolarHBondContact OD1-OG 3.31Å; S184-R188 WeakPolarHBondContact O-CB 3.02Å; S184-R188 PolarHBondContact O-N 2.78Å
185A79.1Confident79.9Confident1 Ų133.9 Ų33.91%0.00817%0.17CC..Hα-helixtrans-73.4-40.5177.400000112.1Y69 N183 R188 A189Y69-A185 HydrophobicContact CD1-CB 3.43Å; Y69-A185 VanDerWaalsContact CD1-CB 3.43Å; Y69-A185 HydrophobicContact CE1-CB 3.61Å; Y69-A185 HydrophobicContact CG-CB 4.47Å; N183-A185 VanDerWaalsContact C-N 3.3Å; N183-A185 PolarHBondContact O-N 3.29Å; A185-R188 PolarHBondContact O-N 2.87Å; A185-A189 PolarHBondContact O-N 3.05Å
186I84.9Confident79.7Confident1 Ų133.6 Ų33.61%0.00517%0.169CC..Hα-helixtrans-64.4-48.5174.5-62170000109.9Q72 L76 L98 L178 N183 R188 A189 L190Q72-I186 HydrophobicContact CB-CD1 3.83Å; Q72-I186 HydrophobicContact CB-CG1 4.09Å; L76-I186 HydrophobicContact CB-CD1 3.97Å; L76-I186 HydrophobicContact CD2-CD1 4.08Å; L76-I186 HydrophobicContact CD2-CG2 4.42Å; L98-I186 HydrophobicContact CD1-CG2 4.15Å; L98-I186 HydrophobicContact CD2-CG2 4.37Å; L178-I186 HydrophobicContact CD2-CB 4.42Å; L178-I186 HydrophobicContact CD2-CG2 3.89Å; N183-I186 PolarHBondContact O-N 3.46Å; N183-I186 VanDerWaalsContact O-N 3.15Å; I186-R188 PolarHBondContact O-N 2.69Å; I186-A189 PolarHBondContact O-N 2.74Å; I186-L190 HydrophobicContact CG2-CD1 3.88Å; I186-L190 HydrophobicContact CG2-CG 4.18Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 VanDerWaalsContact O-CG 3.3Å; I186-L190 WeakPolarHBondContact O-CG 3.5Å; I186-L190 PolarHBondContact O-N 3.47Å
187C80.1Confident79.4Confident4 Ų428.1 Ų28.13%0.02715%0.151CC..Hα-helixtrans-55.3-40.8176.5-71.40000111.5V57 A59 N183 S191V57-C187 HydrophobicContact CG1-CB 3.96Å; A59-C187 HydrophobicContact CB-CB 4.32Å; A59-C187 WeakPolarHBondContact CB-O 3.39Å; N183-C187 WeakPolarHBondContact O-CB 3.49Å; N183-C187 PolarHBondContact O-N 2.8Å; N183-C187 PolarHBondContact O-SG 3.22Å; N183-C187 VanDerWaalsContact O-SG 3.34Å; C187-S191 VanDerWaalsContact O-CB 3.24Å; C187-S191 WeakPolarHBondContact O-CB 3.38Å; C187-S191 PolarHBondContact O-N 2.94Å
188R77.8Confident78.9Confident25 Ų2529.1 Ų29.19%0.09416%0.159CC..Hα-helixtrans-63.7-50.9175.5178.4172.743.278.512.4112.7A59 Y69 D105 S184 A185 I186 L190 S191 T192A59-R188 HydrophobicContact CB-CB 3.88Å; Y69-R188 PolarHBondContact OH-NH1 3.2Å; Y69-R188 PolarHBondContact OH-NH2 2.91Å; D105-R188 IonicContact OD1-NH1 3.38Å; D105-R188 IonicContact OD2-CZ 2.91Å; D105-R188 IonicContact OD2-NH1 3.98Å; D105-R188 PolarHBondContact OD2-NH1 3.25Å; S184-R188 WeakPolarHBondContact O-CB 3.02Å; S184-R188 PolarHBondContact O-N 2.78Å; A185-R188 PolarHBondContact O-N 2.87Å; I186-R188 PolarHBondContact O-N 2.69Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 2.8Å; R188-S191 PolarHBondContact O-N 3.33Å; R188-S191 VanDerWaalsContact O-N 3.11Å; R188-T192 HydrophobicContact CG-CG2 4.3Å; R188-T192 PolarHBondContact O-N 2.72Å; R188-T192 PolarHBondContact O-OG1 3.45Å
189A79.5Confident78.3Confident3 Ų332.4 Ų32.43%0.02518%0.179CC..Hα-helixtrans-59-42.4177.800000111.7L98 L102 A185 I186 S191 H193 L194L98-A189 HydrophobicContact CD2-CB 3.67Å; L102-A189 HydrophobicContact CD2-CB 4.17Å; A185-A189 PolarHBondContact O-N 3.05Å; I186-A189 PolarHBondContact O-N 2.74Å; A189-S191 VanDerWaalsContact C-N 3.33Å; A189-S191 PolarHBondContact O-N 2.78Å; A189-H193 WeakPolarHBondContact O-CB 3.37Å; A189-H193 PolarHBondContact O-N 3Å; A189-L194 VanDerWaalsContact O-CD1 3.27Å; A189-L194 WeakPolarHBondContact O-CD1 3.32Å
190L80.5Confident77.3Confident7 Ų733.4 Ų33.44%0.03720%0.198CC..Hα-helixtrans-60.7-40.5174.9-70.1175.9000112.3V57 L94 L98 L178 I186 R188 L194V57-L190 HydrophobicContact CG1-CB 4.37Å; L94-L190 HydrophobicContact CD2-CD2 4.01Å; L98-L190 HydrophobicContact CD1-CD2 4.49Å; L98-L190 HydrophobicContact CD2-CD2 4.04Å; L98-L190 HydrophobicContact CD2-CG 4.2Å; L98-L190 HydrophobicContact CG-CD2 4.5Å; L178-L190 HydrophobicContact CD1-CD1 3.79Å; L178-L190 HydrophobicContact CD2-CD1 4.34Å; I186-L190 HydrophobicContact CG2-CD1 3.88Å; I186-L190 HydrophobicContact CG2-CG 4.18Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 VanDerWaalsContact O-CG 3.3Å; I186-L190 WeakPolarHBondContact O-CG 3.5Å; I186-L190 PolarHBondContact O-N 3.47Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 2.8Å; L190-L194 HydrophobicContact CD2-CB 4.39Å; L190-L194 HydrophobicContact CD2-CD1 4.33Å; L190-L194 HydrophobicContact CD2-CD2 3.97Å; L190-L194 HydrophobicContact CD2-CG 4.46Å; L190-L194 PolarHBondContact O-N 3.04Å
191S74.1Confident76.1Confident7 Ų732.2 Ų32.25%0.04919%0.19CC..Hα-helixtrans-75.1-38.8-177.1-158.80000113.5V57 S58 A59 C187 R188 A189 Q467V57-S191 WeakPolarHBondContact O-CA 3.37Å; V57-S191 WeakPolarHBondContact O-CB 3.46Å; V57-S191 PolarHBondContact O-OG 3.48Å; S58-S191 WeakPolarHBondContact CA-OG 3.29Å; A59-S191 PolarHBondContact N-OG 3.34Å; C187-S191 VanDerWaalsContact O-CB 3.24Å; C187-S191 WeakPolarHBondContact O-CB 3.38Å; C187-S191 PolarHBondContact O-N 2.94Å; R188-S191 PolarHBondContact O-N 3.33Å; R188-S191 VanDerWaalsContact O-N 3.11Å; A189-S191 VanDerWaalsContact C-N 3.33Å; A189-S191 PolarHBondContact O-N 2.78Å; S191-Q467 PolarHBondContact O-NE2 3.27Å; S191-Q467 PolarHBondContact OG-NE2 2.52Å
192T73.4Confident74.3Confident55 Ų5539 Ų3934%0.33721%0.21SC..Hα-helixtrans-87.6-37.9-173.855.60000112.8R188R188-T192 HydrophobicContact CG-CG2 4.3Å; R188-T192 PolarHBondContact O-N 2.72Å; R188-T192 PolarHBondContact O-OG1 3.45Å
193H76.6Confident72.3Confident44 Ų4446.8 Ų46.820%0.20424%0.235CC..Hα-helixtrans-118.7-19.6-165-61.2-54.4000114.7Y101 K161 Y162 A189Y101-H193 HydrophobicContact CD1-CB 3.49Å; Y101-H193 VanDerWaalsContact CD1-CB 3.49Å; Y101-H193 AromaticContact CD1-CD2 3.8Å; Y101-H193 AromaticContact CD1-CG 3.44Å; Y101-H193 VanDerWaalsContact CD1-CG 3.44Å; Y101-H193 AromaticContact CD1-ND1 3.92Å; Y101-H193 HydrophobicContact CD2-CB 3.58Å; Y101-H193 HydrophobicContact CE1-CB 3.57Å; Y101-H193 AromaticContact CE1-CG 3.78Å; Y101-H193 HydrophobicContact CE2-CB 3.66Å; Y101-H193 HydrophobicContact CG-CB 3.5Å; Y101-H193 AromaticContact CG-CD2 3.93Å; Y101-H193 AromaticContact CG-CG 3.77Å; Y101-H193 PolarHBondContact OH-O 2.86Å; K161-H193 CarbonylContact C-O 3.57Å; K161-H193 WeakPolarHBondContact CA-O 3.5Å; Y162-H193 PolarHBondContact N-O 3.46Å; A189-H193 WeakPolarHBondContact O-CB 3.37Å; A189-H193 PolarHBondContact O-N 3Å
194L80.9Confident69.9Low1 Ų151.2 Ų51.21%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-108.4151.6-179.9-68.989.1000111.5L94 P97 L98 Y101 Y162 V164 A189 L190L94-L194 HydrophobicContact CD2-CD2 3.55Å; P97-L194 HydrophobicContact CB-CD2 3.97Å; P97-L194 HydrophobicContact CB-CG 4.43Å; P97-L194 HydrophobicContact CG-CD2 3.77Å; L98-L194 HydrophobicContact CD2-CD1 4.12Å; Y101-L194 HydrophobicContact CD2-CD1 3.71Å; Y101-L194 HydrophobicContact CD2-CG 4.45Å; Y101-L194 HydrophobicContact CE2-CD1 4.06Å; Y101-L194 HydrophobicContact CE2-CG 4.35Å; Y162-L194 WeakPolarHBondContact O-CA 3.36Å; V164-L194 HydrophobicContact CG2-CD2 4.06Å; A189-L194 VanDerWaalsContact O-CD1 3.27Å; A189-L194 WeakPolarHBondContact O-CD1 3.32Å; L190-L194 HydrophobicContact CD2-CB 4.39Å; L190-L194 HydrophobicContact CD2-CD1 4.33Å; L190-L194 HydrophobicContact CD2-CD2 3.97Å; L190-L194 HydrophobicContact CD2-CG 4.46Å; L190-L194 PolarHBondContact O-N 3.04Å
195Q77.8Confident67.7Low47 Ų4757.5 Ų57.522%0.2229%0.29CS..EExtended strand (participates in β ladder)trans-120.8116.5167.7172.9170.4-24.700107.5N55 K161 Y162 V163 V164 E197N55-Q195 WeakPolarHBondContact OD1-CA 3.14Å; K161-Q195 HydrophobicContact CB-CB 4.11Å; K161-Q195 HydrophobicContact CD-CB 4.45Å; Y162-Q195 PolarHBondContact O-N 2.92Å; V163-Q195 CarbonylContact C-O 3.56Å; V163-Q195 WeakPolarHBondContact CA-O 3.36Å; V163-Q195 HydrophobicContact CG2-CB 4.33Å; V164-Q195 PolarHBondContact N-O 3.01Å; Q195-E197 HydrophobicContact CG-CG 4.26Å; Q195-E197 PolarHBondContact NE2-OE1 2.89Å
196V77.5Confident65.7Low16 Ų1668.1 Ų68.110%0.09733%0.331CS..EExtended strand (participates in β ladder)trans-102.697.7-174.1-1790000109.4A54 L94 V164 L166 V198A54-V196 CarbonylContact C-O 3.56Å; A54-V196 VanDerWaalsContact C-O 3.31Å; A54-V196 VanDerWaalsContact CA-O 3.31Å; A54-V196 WeakPolarHBondContact CA-O 3.47Å; A54-V196 CarbonylContact O-C 3.46Å; A54-V196 PolarHBondContact O-N 3.06Å; L94-V196 HydrophobicContact CD2-CG2 4.4Å; V164-V196 CarbonylContact O-C 3.51Å; V164-V196 WeakPolarHBondContact O-CA 3.03Å; L166-V196 HydrophobicContact CB-CG1 4.44Å; L166-V196 HydrophobicContact CD1-CG1 3.6Å; L166-V196 HydrophobicContact CG-CG1 4.03Å; V196-V198 HydrophobicContact CG1-CG2 4.41Å; V196-V198 PolarHBondContact O-N 2.89Å
197E76.6Confident63.4Low69 Ų6976.5 Ų76.532%0.32237%0.37SS..EExtended strand (participates in β ladder)trans-81.7108.8178.7-67.8-169-178.700110.6A54 V163 V164 H165 L166 Q195 T199A54-E197 HydrophobicContact CB-CG 4.18Å; V163-E197 HydrophobicContact CG1-CB 4.49Å; V163-E197 HydrophobicContact CG1-CG 3.89Å; V164-E197 PolarHBondContact O-N 3.41Å; H165-E197 WeakPolarHBondContact CA-O 3.33Å; H165-E197 IonicContact CD2-OE2 3.91Å; H165-E197 IonicContact NE2-OE2 3.94Å; H165-E197 PolarHBondContact NE2-OE2 3.48Å; L166-E197 PolarHBondContact N-O 3.43Å; Q195-E197 HydrophobicContact CG-CG 4.26Å; Q195-E197 PolarHBondContact NE2-OE1 2.89Å; E197-T199 PolarHBondContact O-N 3.43Å
198V73.9Confident61.1Low32 Ų3282 Ų8219%0.19440%0.399CS..EExtended strand (participates in β ladder)trans-86.4113.3178.2-173.40000109.6L166 E168 H171 V196 A200L166-V198 CarbonylContact O-C 3.58Å; L166-V198 WeakPolarHBondContact O-CA 3.21Å; E168-V198 HydrophobicContact CB-CG1 4.14Å; H171-V198 HydrophobicContact CB-CG1 4.13Å; H171-V198 HydrophobicContact CB-CG2 3.91Å; H171-V198 VanDerWaalsContact CD2-CG2 3.49Å; H171-V198 WeakPolarHBondContact CD2-CG2 3.5Å; V196-V198 HydrophobicContact CG1-CG2 4.41Å; V196-V198 PolarHBondContact O-N 2.89Å; V198-A200 PolarHBondContact O-N 3.37Å
199T72.2Confident58.9Low73 Ų7391.7 Ų91.745%0.44844%0.437SS..EExtended strand (participates in β ladder)trans-74.7112.5168.954.20000108.9L166 E168 E197 S201L166-T199 PolarHBondContact O-N 2.96Å; L166-T199 PolarHBondContact O-OG1 2.92Å; L166-T199 VanDerWaalsContact O-OG1 3.07Å; E168-T199 PolarHBondContact N-O 3.37Å; E197-T199 PolarHBondContact O-N 3.43Å; T199-S201 PolarHBondContact O-N 3.18Å
200A58.6Low56.7Low85 Ų8595.3 Ų95.370%0.70248%0.475SS*.  trans-61.4128.817700000109.4V198 R202V198-A200 PolarHBondContact O-N 3.37Å; A200-R202 PolarHBondContact O-N 3Å
201S55Low54.1Low52 Ų5299.4 Ų99.436%0.36451%0.509SS..  trans-64.8131.6169.7-56.70000106.8E168 T199 R203E168-S201 PolarHBondContact OE2-N 3.37Å; T199-S201 PolarHBondContact O-N 3.18Å; S201-R203 PolarHBondContact O-N 3.17Å
202R40.6Very low51.9Low223 Ų223103.3 Ų103.384%0.84254%0.542SS*.  trans-56.4109.9169.5-82.3-176.2175.3-178-0.2106.5A200 T204A200-R202 PolarHBondContact O-N 3Å; R202-T204 PolarHBondContact O-N 2.71Å
203R38.2Very low49.8Very low219 Ų219105.5 Ų105.583%0.82657%0.566SS**  trans-6678.2170.4-77.4-172.7178.7-174.3-0.1108S201 E205S201-R203 PolarHBondContact O-N 3.17Å; R203-E205 PolarHBondContact O-N 2.77Å
204T32.5Very low47.7Very low96 Ų96107.3 Ų107.359%0.58960%0.597SS**  trans-74.7109.2162.841.70000107.2R202R202-T204 PolarHBondContact O-N 2.71Å
205E32.8Very low45.1Very low147 Ų147112.3 Ų112.369%0.68763%0.631SS**SBendtrans77.4112.2145.1-62.5172.3173.700118.8R203 Q207R203-E205 PolarHBondContact O-N 2.77Å; E205-Q207 PolarHBondContact O-N 2.85Å
206Y36.8Very low42.7Very low224 Ų224119.8 Ų119.888%0.87867%0.669SS**  trans19.367.6139.7-84.9-89.1000117.7
207Q35.1Very low40.4Very low178 Ų178122.9 Ų122.983%0.83270%0.696SS**  trans-101.344.6161-71.9-170.7-6.300111.5E205E205-Q207 PolarHBondContact O-N 2.85Å
208L33.3Very low38Very low118 Ų118124.8 Ų124.862%0.61872%0.724SS**  trans-90.5-3.8177.5-90.6155.9000113.7
209Y31.8Very low35.8Very low229 Ų229127.6 Ų127.690%0.89875%0.75SS**SBendtrans-135.2101.7171.7-71.5-82000110.5
210G32Very low33.6Very low80 Ų80132.1 Ų132.183%0.82577%0.772SS**  trans98.379.2161.400000116.9
211A25.8Very low32Very low92 Ų92133.4 Ų133.476%0.7678%0.783SS**  trans-155.770.3147.500000109.5
212A28.2Very low30.6Very low89 Ų89134.3 Ų134.374%0.73680%0.8SS**  trans-80.3132.7153.200000107.5
213A28.9Very low30Very low102 Ų102129.2 Ų129.284%0.84380%0.798SS**SBendtrans77.4117.4169.200000117.6
214G32.3Very low29.3Very low82 Ų82131 Ų13185%0.84581%0.805SS**  trans43.2106.3145.100000119.1
215S26.4Very low29Very low105 Ų105130.8 Ų130.873%0.73481%0.813SS**  trans-150.481.6147-163.40000111.4A217S215-A217 PolarHBondContact O-N 3.39Å
216M28.3Very low28.7Very low204 Ų204127.8 Ų127.8100%1.00582%0.821SS**  trans-77.183.2144.8-103.4176.417100106.3
217A29.1Very low28.1Very low81 Ų81121.1 Ų121.167%0.66982%0.821SS**  trans17687.4159.400000109.8S215S215-A217 PolarHBondContact O-N 3.39Å
218A26.7Very low27.7Very low109 Ų109116.7 Ų116.790%0.90182%0.823SS**  trans-141.15615800000109.5
219A26.8Very low27.3Very low91 Ų91115.3 Ų115.375%0.75284%0.838SS**SBendtrans-134.177.1165.900000107.8
220N26.5Very low27.1Very low168 Ų168108.3 Ų108.390%0.89884%0.835SS**  trans160.295.9150.2-91.8-17.8000109.5
221A26.1Very low27Very low113 Ų113114.5 Ų114.593%0.93484%0.842SS**  trans-105.379.1157.300000107.8
222G24.1Very low27.2Very low70 Ų70113.2 Ų113.272%0.72284%0.838SS**  trans-88.5119.4164.600000109.4
223S28.2Very low27.6Very low116 Ų116113.1 Ų113.181%0.81185%0.846SS**  trans18.5111151.7-164.40000118.2
224W23.3Very low27.7Very low257 Ų257114.2 Ų114.297%0.97384%0.842SS**  trans-149.7114.4136.2-137-30.8000111.6
225A26.7Very low27.5Very low92 Ų92119.9 Ų119.976%0.7685%0.847SS**  trans-75.3145.316700000111.1
226G26Very low27.5Very low83 Ų83118.8 Ų118.886%0.85684%0.844SS**  trans151.896.315600000116.9
227G24.9Very low27.7Very low85 Ų85115.3 Ų115.388%0.87683%0.834SS**  92.1107.6128.300000120.1
228G25.6Very low27.6Very low85 Ų85119.9 Ų119.988%0.87684%0.842SS**  109.396.1122.100000119.1
229G25.4Very low27.8Very low89 Ų89120.4 Ų120.492%0.91883%0.833SS**  79.7117.1127.800000119.6
230G27.8Very low28.3Very low81 Ų81121.7 Ų121.784%0.83583%0.834SS**  trans15886.7160.900000113.4
231E30.6Very low29.1Very low210 Ų210118.8 Ų118.898%0.98183%0.834SS**  trans-63.3130.5172.9-69.6174.8137.400111.6
232G29.1Very low29.9Very low66 Ų66116 Ų11668%0.6882%0.815SS**  trans-16394.217000000108.6T234G232-T234 PolarHBondContact O-N 3.25Å
233G37.7Very low31.1Very low87 Ų87118.6 Ų118.690%0.89781%0.811SS**  trans-63.9110.9-17600000112.8
234T29.5Very low32Very low125 Ų125115.6 Ų115.677%0.76779%0.789SS**  trans-126.9115.7153.847.80000105.6G232 A236G232-T234 PolarHBondContact O-N 3.25Å; T234-A236 VanDerWaalsContact C-N 3.3Å; T234-A236 PolarHBondContact O-N 3.07Å
235E28.3Very low33.5Very low201 Ų201112.9 Ų112.994%0.93979%0.787SS**  trans-57.798.6169.9-76.2-173.9156.300108.1V237E235-V237 PolarHBondContact O-N 3.44Å
236A25.9Very low35.2Very low82 Ų82113.9 Ų113.968%0.67878%0.78SS**  trans-66.7114.6167.800000106.4T234 E238T234-A236 VanDerWaalsContact C-N 3.3Å; T234-A236 PolarHBondContact O-N 3.07Å; A236-E238 VanDerWaalsContact C-N 3.27Å; A236-E238 PolarHBondContact O-N 2.9Å
237V32.5Very low37.5Very low131 Ų131117.7 Ų117.779%0.79478%0.775SS**  trans-62.899161.8176.40000105.8E235 V239E235-V237 PolarHBondContact O-N 3.44Å; V237-V239 PolarHBondContact O-N 3.36Å
238E27.3Very low40Very low177 Ų177118.8 Ų118.883%0.82777%0.765SS**  trans-59.9101.4169.4-76.4-173.1157.500107.8A236 P240A236-E238 VanDerWaalsContact C-N 3.27Å; A236-E238 PolarHBondContact O-N 2.9Å; E238-P240 VanDerWaalsContact O-CD 3.31Å; E238-P240 WeakPolarHBondContact O-CD 3.19Å
239V31.6Very low42.2Very low120 Ų120116.6 Ų116.673%0.72774%0.739SS**  trans-74.4116.1163.5178.90000105.7V237 A241V237-V239 PolarHBondContact O-N 3.36Å; V239-A241 PolarHBondContact O-N 3.22Å
240P36.6Very low44.6Very low117 Ų117115.8 Ų115.876%0.7671%0.713SS**  trans-67.4103.2178.8-14.729.5000108.5E238 G242E238-P240 VanDerWaalsContact O-CD 3.31Å; E238-P240 WeakPolarHBondContact O-CD 3.19Å; P240-G242 VanDerWaalsContact C-N 3.34Å; P240-G242 PolarHBondContact O-N 3.18Å
241A44.6Very low47Very low108 Ų108116.7 Ų116.789%0.89370%0.698SS**  trans-71.393.3167.100000107.9V239V239-A241 PolarHBondContact O-N 3.22Å
242G42Very low49.3Very low53 Ų53109.1 Ų109.155%0.54667%0.671SS.*SBendtrans177.4117.4176.100000110.8P240P240-G242 VanDerWaalsContact C-N 3.34Å; P240-G242 PolarHBondContact O-N 3.18Å
243I49Very low51.3Low126 Ų126110.4 Ų110.465%0.64666%0.662SS**  trans-42.8130.9162-61.3161.3000107.3Q245I243-Q245 PolarHBondContact O-N 3.2Å
244P48.1Very low53.1Low53 Ų53111.2 Ų111.234%0.34464%0.642SS.*  trans-59.3103.9175.219.8-28.4000109N246 A249P244-N246 PolarHBondContact O-N 3.12Å; P244-N246 VanDerWaalsContact O-N 3.13Å; P244-A249 HydrophobicContact CB-CB 3.37Å; P244-A249 HydrophobicContact CG-CB 4.15Å
245Q54.6Low55.6Low199 Ų199109.8 Ų109.893%0.9363%0.63SS**  trans-68.7-0.9170.4-67.7-175.7-5.100111.8I243I243-Q245 PolarHBondContact O-N 3.2Å
246N63Low57.8Low113 Ų113103.6 Ų103.660%0.60461%0.608SS**SBendtrans-94.8116.2-177.9-128.3-16.4000109.2P244 V248 A249 L250P244-N246 PolarHBondContact O-N 3.12Å; P244-N246 VanDerWaalsContact O-N 3.13Å; N246-V248 PolarHBondContact O-N 2.64Å; N246-V248 VanDerWaalsContact O-N 3.07Å; N246-A249 HydrophobicContact CB-CB 4.17Å; N246-A249 PolarHBondContact O-N 3.45Å; N246-L250 PolarHBondContact O-N 2.9Å; N246-L250 VanDerWaalsContact O-N 3.07Å
247E73.9Confident60Low164 Ų164104.3 Ų104.377%0.76660%0.6SS**Hα-helixtrans-50.9-35.4178.8-72.2-175.8155.800112.4A249 L250 L251E247-A249 PolarHBondContact O-N 2.9Å; E247-L250 PolarHBondContact O-N 2.81Å; E247-L251 WeakPolarHBondContact O-CB 3.21Å; E247-L251 WeakPolarHBondContact O-CG 3.28Å; E247-L251 PolarHBondContact O-N 2.99Å
248V76.9Confident61.9Low108 Ų108103.3 Ų103.366%0.65559%0.585SS**Hα-helixtrans-64.1-40176.8-178.70000112.4N246 A252N246-V248 PolarHBondContact O-N 2.64Å; N246-V248 VanDerWaalsContact O-N 3.07Å; V248-A252 VanDerWaalsContact O-CB 3.32Å; V248-A252 WeakPolarHBondContact O-CB 3.49Å; V248-A252 PolarHBondContact O-N 2.86Å
249A72.6Confident64Low39 Ų39102 Ų10232%0.32258%0.576SS.*Hα-helixtrans-76.3-29.4178.600000111.7P244 N246 E247 L253P244-A249 HydrophobicContact CB-CB 3.37Å; P244-A249 HydrophobicContact CG-CB 4.15Å; N246-A249 HydrophobicContact CB-CB 4.17Å; N246-A249 PolarHBondContact O-N 3.45Å; E247-A249 PolarHBondContact O-N 2.9Å; A249-L253 VanDerWaalsContact O-CB 3.24Å; A249-L253 WeakPolarHBondContact O-CB 3.44Å; A249-L253 PolarHBondContact O-N 2.88Å
250L74.1Confident65.6Low72 Ų72101.5 Ų101.538%0.37757%0.573SS.*Hα-helixtrans-68.8-41.5170.5-168.9141.7000111.7N246 E247 L253 Q254N246-L250 PolarHBondContact O-N 2.9Å; N246-L250 VanDerWaalsContact O-N 3.07Å; E247-L250 PolarHBondContact O-N 2.81Å; L250-L253 PolarHBondContact O-N 3.23Å; L250-Q254 HydrophobicContact CD2-CG 4.32Å; L250-Q254 VanDerWaalsContact CD2-NE2 3.35Å; L250-Q254 WeakPolarHBondContact O-CB 3.33Å; L250-Q254 VanDerWaalsContact O-CG 3.3Å; L250-Q254 WeakPolarHBondContact O-CG 3.49Å; L250-Q254 PolarHBondContact O-N 3Å
251L79.3Confident66.9Low99 Ų99105.3 Ų105.352%0.51857%0.572SS.*Hα-helixtrans-64.6-44.2172.8-73.3172.5000111.8E247 L253 Q254 D255E247-L251 WeakPolarHBondContact O-CB 3.21Å; E247-L251 WeakPolarHBondContact O-CG 3.28Å; E247-L251 PolarHBondContact O-N 2.99Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.21Å; L251-Q254 PolarHBondContact O-N 2.86Å; L251-D255 WeakPolarHBondContact O-CB 3.35Å; L251-D255 PolarHBondContact O-N 3.49Å
252A78.3Confident67.9Low51 Ų51106.8 Ų106.842%0.42156%0.561SS.*Hα-helixtrans-62.3-39.4175.500000111.9V248 D255 C256V248-A252 VanDerWaalsContact O-CB 3.32Å; V248-A252 WeakPolarHBondContact O-CB 3.49Å; V248-A252 PolarHBondContact O-N 2.86Å; A252-D255 PolarHBondContact O-N 2.99Å; A252-C256 WeakPolarHBondContact O-CB 3.25Å; A252-C256 PolarHBondContact O-N 3.46Å; A252-C256 PolarHBondContact O-SG 2.69Å
253L71.3Confident68.8Low93 Ų93105.1 Ų105.149%0.48754%0.544SS..Hα-helixtrans-65.3-44.5173.8-178.267.5000111.4A249 L250 L251 D255 C256 I257A249-L253 VanDerWaalsContact O-CB 3.24Å; A249-L253 WeakPolarHBondContact O-CB 3.44Å; A249-L253 PolarHBondContact O-N 2.88Å; L250-L253 PolarHBondContact O-N 3.23Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.21Å; L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 2.67Å; L253-C256 PolarHBondContact O-N 3.08Å; L253-I257 HydrophobicContact CD1-CD1 4.32Å; L253-I257 HydrophobicContact CD1-CG1 4.49Å; L253-I257 HydrophobicContact CD2-CD1 4.5Å; L253-I257 HydrophobicContact CG-CD1 3.9Å; L253-I257 HydrophobicContact CG-CG1 4.48Å; L253-I257 WeakPolarHBondContact O-CB 3.22Å; L253-I257 VanDerWaalsContact O-CG1 3.23Å; L253-I257 WeakPolarHBondContact O-CG1 3.35Å; L253-I257 PolarHBondContact O-N 2.82Å
254Q76.7Confident69.6Low104 Ų104104.9 Ų104.949%0.48655%0.55SS.*Hα-helixtrans-59.6-42.6175-77.3177.8-8.100111.7L250 L251 I257 K258L250-Q254 HydrophobicContact CD2-CG 4.32Å; L250-Q254 VanDerWaalsContact CD2-NE2 3.35Å; L250-Q254 WeakPolarHBondContact O-CB 3.33Å; L250-Q254 VanDerWaalsContact O-CG 3.3Å; L250-Q254 WeakPolarHBondContact O-CG 3.49Å; L250-Q254 PolarHBondContact O-N 3Å; L251-Q254 PolarHBondContact O-N 2.86Å; Q254-I257 PolarHBondContact O-N 2.86Å; Q254-K258 VanDerWaalsContact O-CB 3.28Å; Q254-K258 WeakPolarHBondContact O-CB 3.36Å; Q254-K258 PolarHBondContact O-N 2.91Å
255D80.2Confident70.3Confident96 Ų96104 Ų10451%0.51355%0.545SS..Hα-helixtrans-65.9-40.1175.4-86.8-9.3000112.1L251 A252 L253 K258 K259L251-D255 WeakPolarHBondContact O-CB 3.35Å; L251-D255 PolarHBondContact O-N 3.49Å; A252-D255 PolarHBondContact O-N 2.99Å; L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 2.67Å; D255-K258 PolarHBondContact O-N 3.34Å; D255-K259 WeakPolarHBondContact O-CB 3.29Å; D255-K259 VanDerWaalsContact O-CG 3.26Å; D255-K259 WeakPolarHBondContact O-CG 3.28Å; D255-K259 PolarHBondContact O-N 3.15Å
256C75.4Confident70.7Confident70 Ų7097.9 Ų97.947%0.47352%0.524SS..Hα-helixtrans-64.1-44.9173.9-76.40000111.7A252 L253 K258 K259 V260A252-C256 WeakPolarHBondContact O-CB 3.25Å; A252-C256 PolarHBondContact O-N 3.46Å; A252-C256 PolarHBondContact O-SG 2.69Å; L253-C256 PolarHBondContact O-N 3.08Å; C256-K258 VanDerWaalsContact C-N 3.3Å; C256-K258 PolarHBondContact O-N 2.85Å; C256-K259 PolarHBondContact O-N 2.98Å; C256-V260 WeakPolarHBondContact O-CG2 3.29Å; C256-V260 PolarHBondContact O-N 3.21Å
257I71.8Confident70.8Confident98 Ų9899.2 Ų99.250%0.50353%0.53SS..Hα-helixtrans-60.1-44.1174.9-70166.1000110L253 Q254 V260 R261L253-I257 HydrophobicContact CD1-CD1 4.32Å; L253-I257 HydrophobicContact CD1-CG1 4.49Å; L253-I257 HydrophobicContact CD2-CD1 4.5Å; L253-I257 HydrophobicContact CG-CD1 3.9Å; L253-I257 HydrophobicContact CG-CG1 4.48Å; L253-I257 WeakPolarHBondContact O-CB 3.22Å; L253-I257 VanDerWaalsContact O-CG1 3.23Å; L253-I257 WeakPolarHBondContact O-CG1 3.35Å; L253-I257 PolarHBondContact O-N 2.82Å; Q254-I257 PolarHBondContact O-N 2.86Å; I257-V260 PolarHBondContact O-N 3.31Å; I257-R261 VanDerWaalsContact O-CB 3.25Å; I257-R261 WeakPolarHBondContact O-CB 3.34Å; I257-R261 PolarHBondContact O-N 3.19Å
258K72.6Confident70.6Confident110 Ų11091.9 Ų91.948%0.47850%0.497SS..Hα-helixtrans-62-45.2176.9-170.6178179-176.70111.2Q254 D255 C256 V260 R261 E262Q254-K258 VanDerWaalsContact O-CB 3.28Å; Q254-K258 WeakPolarHBondContact O-CB 3.36Å; Q254-K258 PolarHBondContact O-N 2.91Å; D255-K258 PolarHBondContact O-N 3.34Å; C256-K258 VanDerWaalsContact C-N 3.3Å; C256-K258 PolarHBondContact O-N 2.85Å; K258-V260 VanDerWaalsContact C-N 3.34Å; K258-V260 PolarHBondContact O-N 3.05Å; K258-R261 PolarHBondContact O-N 2.96Å; K258-E262 VanDerWaalsContact CE-CD 3.43Å; K258-E262 WeakPolarHBondContact CE-OE1 3.5Å; K258-E262 WeakPolarHBondContact CE-OE2 3.19Å; K258-E262 VanDerWaalsContact CG-CD 3.5Å; K258-E262 HydrophobicContact CG-CG 4.23Å; K258-E262 WeakPolarHBondContact CG-OE1 3.14Å; K258-E262 VanDerWaalsContact O-CB 3.28Å; K258-E262 WeakPolarHBondContact O-CB 3.37Å; K258-E262 WeakPolarHBondContact O-CG 3.31Å; K258-E262 PolarHBondContact O-N 2.9Å
259K70.4Confident70.8Confident148 Ų14891.2 Ų91.264%0.64349%0.493SS*.Hα-helixtrans-61.9-36.7175.5-76173.4-175174.90113.1D255 C256 G263D255-K259 WeakPolarHBondContact O-CB 3.29Å; D255-K259 VanDerWaalsContact O-CG 3.26Å; D255-K259 WeakPolarHBondContact O-CG 3.28Å; D255-K259 PolarHBondContact O-N 3.15Å; C256-K259 PolarHBondContact O-N 2.98Å; K259-G263 WeakPolarHBondContact O-CA 3.19Å; K259-G263 PolarHBondContact O-N 2.95Å
260V66.3Low71.4Confident111 Ų11191 Ų9167%0.67349%0.486SS*.Hα-helixtrans-72.7-40.2175.2172.70000110.9C256 I257 K258C256-V260 WeakPolarHBondContact O-CG2 3.29Å; C256-V260 PolarHBondContact O-N 3.21Å; I257-V260 PolarHBondContact O-N 3.31Å; K258-V260 VanDerWaalsContact C-N 3.34Å; K258-V260 PolarHBondContact O-N 3.05Å
261R63.7Low72Confident196 Ų19689.9 Ų89.974%0.7448%0.484SS*.Hα-helixtrans-71.4-34.6-179.4-169.4179.6-176.6-167.71.7113.2I257 K258 R551I257-R261 VanDerWaalsContact O-CB 3.25Å; I257-R261 WeakPolarHBondContact O-CB 3.34Å; I257-R261 PolarHBondContact O-N 3.19Å; K258-R261 PolarHBondContact O-N 2.96Å; R261-R551 PolarHBondContact O-NH1 3.41Å
262E65.5Low72.2Confident139 Ų13988.7 Ų88.765%0.6548%0.475SS*.Hα-helixtrans-99.1-10.9-179.8-63177.8178.100112.6K258K258-E262 VanDerWaalsContact CE-CD 3.43Å; K258-E262 WeakPolarHBondContact CE-OE1 3.5Å; K258-E262 WeakPolarHBondContact CE-OE2 3.19Å; K258-E262 VanDerWaalsContact CG-CD 3.5Å; K258-E262 HydrophobicContact CG-CG 4.23Å; K258-E262 WeakPolarHBondContact CG-OE1 3.14Å; K258-E262 VanDerWaalsContact O-CB 3.28Å; K258-E262 WeakPolarHBondContact O-CB 3.37Å; K258-E262 WeakPolarHBondContact O-CG 3.31Å; K258-E262 PolarHBondContact O-N 2.9Å
263G61.8Low72.6Confident19 Ų1990.1 Ų90.120%0.19647%0.47CS..SBendtrans-75.4174.8178.800000113.7K259K259-G263 WeakPolarHBondContact O-CA 3.19Å; K259-G263 PolarHBondContact O-N 2.95Å
264P64.1Low73.2Confident120 Ų12087.5 Ų87.578%0.77946%0.461SS*.SBendtrans-55.9143.4176.625.5-33.5000110S266P264-S266 PolarHBondContact O-N 2.77Å
265P64.1Low73.5Confident35 Ų3583.4 Ų83.423%0.22744%0.442CS..PPolyproline II helixtrans-54.7130.6-178.223.6-33.1000109.9L267 L535 D549 V568P265-L267 PolarHBondContact O-N 2.89Å; P265-L535 HydrophobicContact CB-CD2 3.88Å; P265-D549 HydrophobicContact CG-CB 4.36Å; P265-V568 HydrophobicContact CG-CG1 3.85Å; P265-V568 HydrophobicContact CG-CG2 3.82Å
266S63.2Low73.5Confident70 Ų7085.1 Ų85.149%0.4945%0.447SS..PPolyproline II helixtrans-63.8132.3173.952.10000108.7P264 T268P264-S266 PolarHBondContact O-N 2.77Å; S266-T268 PolarHBondContact O-N 2.92Å; S266-T268 VanDerWaalsContact O-N 3.08Å
267L63.5Low73.3Confident141 Ų14189.4 Ų89.474%0.73846%0.46SS*.PPolyproline II helixtrans-57.3118.8177.5-70.6168.1000108.4P265P265-L267 PolarHBondContact O-N 2.89Å
268T70.5Confident73Confident10 Ų1086.2 Ų86.26%0.06145%0.445CS..PPolyproline II helixtrans-70128.8178.250.20000108.8S266 I270 L535 F583S266-T268 PolarHBondContact O-N 2.92Å; S266-T268 VanDerWaalsContact O-N 3.08Å; T268-I270 WeakPolarHBondContact O-CG1 3.28Å; T268-I270 PolarHBondContact O-N 2.89Å; T268-L535 HydrophobicContact CG2-CD1 3.56Å; T268-F583 HydrophobicContact CG2-CE1 3.78Å; T268-F583 HydrophobicContact CG2-CZ 4.23Å
269T82Confident72.4Confident94 Ų9487.5 Ų87.558%0.57746%0.457SS*.EExtended strand (participates in β ladder)trans-69131168.6-57.50000108.2L588 L589T269-L588 HydrophobicContact CG2-CD1 3.93Å; T269-L589 PolarHBondContact O-N 2.69Å
270I84.9Confident72Confident34 Ų3484.9 Ų84.917%0.17445%0.447CS..EExtended strand (participates in β ladder)trans-117.6127-178.6-49.7-176.4000109.1T268 F272 Y571 L589 V591T268-I270 WeakPolarHBondContact O-CG1 3.28Å; T268-I270 PolarHBondContact O-N 2.89Å; I270-F272 HydrophobicContact CB-CE2 4.33Å; I270-F272 HydrophobicContact CG2-CD2 3.97Å; I270-F272 HydrophobicContact CG2-CE2 3.51Å; I270-F272 HydrophobicContact CG2-CZ 4.05Å; I270-Y571 HydrophobicContact CD1-CD1 3.61Å; I270-Y571 HydrophobicContact CD1-CD2 3.22Å; I270-Y571 HydrophobicContact CD1-CE1 3.68Å; I270-Y571 HydrophobicContact CD1-CE2 3.32Å; I270-Y571 HydrophobicContact CD1-CG 3.36Å; I270-L589 CarbonylContact C-O 3.46Å; I270-L589 WeakPolarHBondContact CA-O 3.3Å; I270-L589 HydrophobicContact CD1-CD2 4.04Å; I270-L589 HydrophobicContact CG1-CB 4.11Å; I270-L589 HydrophobicContact CG1-CD2 4.13Å; I270-L589 HydrophobicContact CG2-CB 4.39Å; I270-L589 HydrophobicContact CG2-CD2 4.34Å; I270-L589 HydrophobicContact CG2-CG 4.49Å; I270-V591 HydrophobicContact CG2-CG2 3.68Å
271C85.9Confident72.6Confident50 Ų5086 Ų8634%0.33845%0.446SS..EExtended strand (participates in β ladder)trans-113.6121.9173.3-67.60000109.5L589 L590 V591C271-L589 PolarHBondContact N-O 3.43Å; C271-L590 HydrophobicContact CB-CD2 3.7Å; C271-V591 PolarHBondContact O-N 2.92Å
272F84.8Confident73.6Confident74 Ų7477 Ų7733%0.32541%0.413SS..EExtended strand (participates in β ladder)trans-94.9121.4174.7-72.4-96.2000109.8I270 V545 T575 V591I270-F272 HydrophobicContact CB-CE2 4.33Å; I270-F272 HydrophobicContact CG2-CD2 3.97Å; I270-F272 HydrophobicContact CG2-CE2 3.51Å; I270-F272 HydrophobicContact CG2-CZ 4.05Å; F272-V545 HydrophobicContact CE1-CG2 4.21Å; F272-V545 HydrophobicContact CZ-CG2 4.42Å; F272-T575 HydrophobicContact CB-CG2 4.46Å; F272-T575 HydrophobicContact CD1-CG2 4.24Å; F272-V591 CarbonylContact C-O 3.56Å; F272-V591 WeakPolarHBondContact CA-O 3.43Å; F272-V591 HydrophobicContact CD1-CB 3.76Å; F272-V591 HydrophobicContact CD1-CG1 3.69Å; F272-V591 HydrophobicContact CD1-CG2 4.41Å; F272-V591 HydrophobicContact CE1-CB 3.92Å; F272-V591 HydrophobicContact CE1-CG1 3.65Å; F272-V591 HydrophobicContact CE1-CG2 4.16Å; F272-V591 HydrophobicContact CG-CB 4.29Å; F272-V591 HydrophobicContact CZ-CG2 4.36Å
273Y85.3Confident74.6Confident80 Ų8072.9 Ų72.931%0.31440%0.395SS..EExtended strand (participates in β ladder)trans-97.2113.1165.3-72.2-68.4000108.7L308 L590 V591 T592 G593Y273-L308 HydrophobicContact CE1-CD2 4.13Å; Y273-L590 HydrophobicContact CE2-CD1 4.32Å; Y273-L590 HydrophobicContact CE2-CD2 3.97Å; Y273-V591 PolarHBondContact N-O 3.36Å; Y273-T592 WeakPolarHBondContact O-CA 3.41Å; Y273-G593 PolarHBondContact O-N 3.22Å; Y273-G593 VanDerWaalsContact O-N 3.07Å
274A84.6Confident75.8Confident38 Ų3872.3 Ų72.331%0.31439%0.389SS..EExtended strand (participates in β ladder)trans-103.9121.917800000109.6T575 G593 A595A274-T575 HydrophobicContact CB-CG2 3.72Å; A274-G593 WeakPolarHBondContact CA-O 3.45Å; A274-A595 HydrophobicContact CB-CB 4.11Å
275F83Confident77.1Confident19 Ų1966.8 Ų66.88%0.08335%0.353CS..EExtended strand (participates in β ladder)trans-81.6122.2170.9-67.3-90000109.6T278 L282 A285 L294 A296 W306 G593 A595F275-T278 HydrophobicContact CB-CG2 3.52Å; F275-L282 HydrophobicContact CB-CD2 4.05Å; F275-L282 HydrophobicContact CD2-CD2 3.31Å; F275-L282 HydrophobicContact CE2-CD2 3.81Å; F275-L282 HydrophobicContact CG-CD2 3.76Å; F275-A285 HydrophobicContact CE2-CB 3.68Å; F275-A285 HydrophobicContact CZ-CB 4.04Å; F275-L294 HydrophobicContact CE1-CD2 3.79Å; F275-L294 HydrophobicContact CE1-CG 4.44Å; F275-L294 HydrophobicContact CE2-CD2 4.38Å; F275-L294 HydrophobicContact CZ-CD1 4.07Å; F275-L294 HydrophobicContact CZ-CD2 3.47Å; F275-L294 VanDerWaalsContact CZ-CD2 3.47Å; F275-L294 HydrophobicContact CZ-CG 3.88Å; F275-A296 HydrophobicContact CE1-CB 4.27Å; F275-A296 HydrophobicContact CZ-CB 4.08Å; F275-W306 HydrophobicContact CD1-CH2 4.09Å; F275-W306 HydrophobicContact CD1-CZ2 4.2Å; F275-W306 HydrophobicContact CE1-CD2 4.46Å; F275-W306 HydrophobicContact CE1-CE3 4.11Å; F275-W306 AromaticContact CE1-CH2 3.47Å; F275-W306 HydrophobicContact CE1-CH2 3.47Å; F275-W306 VanDerWaalsContact CE1-CH2 3.47Å; F275-W306 AromaticContact CE1-CZ2 3.88Å; F275-W306 HydrophobicContact CE1-CZ2 3.88Å; F275-W306 AromaticContact CE1-CZ3 3.63Å; F275-W306 HydrophobicContact CE1-CZ3 3.63Å; F275-W306 HydrophobicContact CZ-CH2 4.41Å; F275-W306 HydrophobicContact CZ-CZ3 4.23Å; F275-G593 WeakPolarHBondContact CD2-O 3.17Å; F275-G593 PolarHBondContact N-O 3.45Å; F275-A595 WeakPolarHBondContact O-CB 3.13Å; F275-A595 PolarHBondContact O-N 2.9Å
276H79.8Confident78.3Confident132 Ų13266.1 Ų66.161%0.61135%0.347SS*.PPolyproline II helixtrans-94.2155.5174.4-68.6-88.2000110.6T278 A595H276-T278 PolarHBondContact O-N 2.8Å; H276-A595 VanDerWaalsContact CE1-CB 3.49Å; H276-A595 WeakPolarHBondContact CE1-CB 2.91Å; H276-A595 WeakPolarHBondContact ND1-CB 3.03Å
277H70.7Confident79.6Confident160 Ų16062.9 Ų62.974%0.74132%0.324SS*.  trans54.951.8176.8-55.3-70.9000112.9D279H277-D279 VanDerWaalsContact C-N 3.29Å; H277-D279 PolarHBondContact O-N 3.03Å
278T66Low80.9Confident30 Ų3056.1 Ų56.118%0.18429%0.289CS..  trans-93.651.7-178.152.70000112.1F275 H276 Q280 M281 L282 T594F275-T278 HydrophobicContact CB-CG2 3.52Å; H276-T278 PolarHBondContact O-N 2.8Å; T278-Q280 PolarHBondContact O-N 3.39Å; T278-M281 PolarHBondContact O-N 3.42Å; T278-M281 VanDerWaalsContact O-N 3.15Å; T278-L282 HydrophobicContact CG2-CB 4.47Å; T278-T594 HydrophobicContact CG2-CG2 4.41Å
279D61Low81.5Confident138 Ų13858.5 Ų58.574%0.73830%0.304SS*.THydrogen-bonded Turntrans-56.7-23.6177.8-53.1-18000112.4H277H277-D279 VanDerWaalsContact C-N 3.29Å; H277-D279 PolarHBondContact O-N 3.03Å
280Q62.2Low81.6Confident92 Ų9256.4 Ų56.443%0.4329%0.29SS..THydrogen-bonded Turntrans-94.116.6-176.8-64-175-3.200114.7T278 F298 D299 S300T278-Q280 PolarHBondContact O-N 3.39Å; Q280-F298 HydrophobicContact CB-CD1 4.19Å; Q280-D299 VanDerWaalsContact O-CB 3.32Å; Q280-D299 WeakPolarHBondContact O-CB 3.34Å; Q280-D299 PolarHBondContact O-N 2.8Å; Q280-S300 PolarHBondContact OE1-OG 2.94Å
281M77.4Confident81.6Confident134 Ų13457.1 Ų57.166%0.6630%0.298SS*.  trans51.5105.9177-67.4-91.4-179.100113.7T278 D299T278-M281 PolarHBondContact O-N 3.42Å; T278-M281 VanDerWaalsContact O-N 3.15Å; M281-D299 HydrophobicContact CB-CB 3.98Å; M281-D299 PolarHBondContact O-N 2.85Å; M281-D299 VanDerWaalsContact O-N 3.15Å
282L85.4Confident81.6Confident7 Ų760.1 Ų60.14%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-80.9121.3-178.6-176.371.1000110.7F275 T278 A296 F298 L579 T594F275-L282 HydrophobicContact CB-CD2 4.05Å; F275-L282 HydrophobicContact CD2-CD2 3.31Å; F275-L282 HydrophobicContact CE2-CD2 3.81Å; F275-L282 HydrophobicContact CG-CD2 3.76Å; T278-L282 HydrophobicContact CG2-CB 4.47Å; L282-A296 HydrophobicContact CD1-CB 3.55Å; L282-F298 HydrophobicContact CD1-CD1 4.32Å; L282-F298 HydrophobicContact CD1-CE1 3.81Å; L282-F298 HydrophobicContact CD1-CE2 4.33Å; L282-F298 HydrophobicContact CD1-CZ 3.81Å; L282-L579 HydrophobicContact CB-CD1 4.14Å; L282-L579 HydrophobicContact CD2-CD1 3.29Å; L282-L579 HydrophobicContact CG-CD1 3.36Å; L282-T594 HydrophobicContact CB-CG2 4.01Å; L282-T594 HydrophobicContact CD2-CG2 4.01Å
283N86.3Confident81.9Confident53 Ų5357.6 Ų57.628%0.28329%0.292SS..EExtended strand (participates in β ladder)trans-101.9-39.8-176.9-72.4-26.5000112.6G297 V356N283-G297 PolarHBondContact N-O 2.8Å; N283-V356 WeakPolarHBondContact CB-O 3.38Å
284A86.8Confident82.2Confident7 Ų754.2 Ų54.26%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-137.6145.4-179.200000111.2A296 G297 Y357A284-A296 CarbonylContact O-C 3.58Å; A284-A296 WeakPolarHBondContact O-CA 3.42Å; A284-A296 WeakPolarHBondContact O-CB 3.37Å; A284-G297 PolarHBondContact N-O 3.39Å; A284-G297 PolarHBondContact O-N 2.96Å; A284-Y357 WeakPolarHBondContact CB-O 3.47Å
285A90.9Very high82.6Confident4 Ų452.4 Ų52.43%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-146.9132.5169.400000110.4F275 A295 A296 L579 N580 T592F275-A285 HydrophobicContact CE2-CB 3.68Å; F275-A285 HydrophobicContact CZ-CB 4.04Å; A285-A295 WeakPolarHBondContact CA-O 3.36Å; A285-A296 HydrophobicContact CB-CB 4.43Å; A285-L579 HydrophobicContact CB-CD1 4.45Å; A285-N580 VanDerWaalsContact O-CB 3.24Å; A285-N580 WeakPolarHBondContact O-CB 3.34Å; A285-N580 PolarHBondContact O-ND2 2.92Å; A285-T592 HydrophobicContact CB-CG2 4.24Å
286E90.4Very high83Confident22 Ų2251.5 Ų51.510%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-140144.5179.1-169.7169.8123.700110.8A295 R358 A360 F361E286-A295 PolarHBondContact N-O 2.8Å; E286-A295 PolarHBondContact O-N 3.18Å; E286-R358 IonicContact OE2-NH2 3.96Å; E286-R358 PolarHBondContact OE2-NH2 2.9Å; E286-A360 WeakPolarHBondContact OE1-CA 3.34Å; E286-F361 HydrophobicContact CG-CD2 4.34Å; E286-F361 WeakPolarHBondContact O-CE2 3.39Å; E286-F361 PolarHBondContact OE1-N 2.79Å
287V90.5Very high83.6Confident1 Ų145.2 Ų45.21%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-102.1138.7175.5179.80000108.9L294 L308 Q582 L590 T592V287-L294 HydrophobicContact CG2-CD1 3.6Å; V287-L308 HydrophobicContact CG1-CD1 4.06Å; V287-Q582 PolarHBondContact O-NE2 3.08Å; V287-Q582 PolarHBondContact O-OE1 3.24Å; V287-L590 HydrophobicContact CB-CD1 4.04Å; V287-L590 HydrophobicContact CG1-CD1 3.75Å; V287-L590 HydrophobicContact CG2-CD1 4.04Å; V287-T592 HydrophobicContact CG2-CG2 4.3Å
288S90.1Very high84.6Confident0 Ų037.9 Ų37.90%020%0.197CC..  trans-61.8149.4178.465.60000111.6D290 S291 R292 L293 M584S288-D290 WeakPolarHBondContact CB-OD1 3.39Å; S288-D290 PolarHBondContact O-N 3.22Å; S288-D290 PolarHBondContact OG-OD1 3.2Å; S288-S291 WeakPolarHBondContact O-CA 2.85Å; S288-S291 PolarHBondContact O-N 3.2Å; S288-R292 PolarHBondContact OG-N 2.81Å; S288-R292 VanDerWaalsContact OG-N 3.11Å; S288-L293 PolarHBondContact N-O 3.09Å; S288-L293 PolarHBondContact OG-N 2.81Å; S288-L293 PolarHBondContact OG-O 2.79Å; S288-M584 WeakPolarHBondContact O-CE 3.32Å
289P83.8Confident85.7Confident59 Ų5940.2 Ų40.238%0.38321%0.208SC..THydrogen-bonded Turntrans-52.6-31.7177.9-29.734.5000114.6S291 M584P289-S291 VanDerWaalsContact C-N 3.31Å; P289-M584 WeakPolarHBondContact O-CE 3.47Å
290D83.3Confident87Confident50 Ų5036 Ų3627%0.26719%0.19SC..THydrogen-bonded Turntrans-86.73.7177.972.8-6.5000114.5S288 R292S288-D290 WeakPolarHBondContact CB-OD1 3.39Å; S288-D290 PolarHBondContact O-N 3.22Å; S288-D290 PolarHBondContact OG-OD1 3.2Å; D290-R292 HydrophobicContact CB-CG 4.18Å; D290-R292 WeakPolarHBondContact O-CG 3.46Å; D290-R292 PolarHBondContact O-N 2.86Å; D290-R292 WeakPolarHBondContact OD1-CB 3.19Å; D290-R292 WeakPolarHBondContact OD1-CG 3.5Å; D290-R292 PolarHBondContact OD1-N 2.98Å; D290-R292 VanDerWaalsContact OD1-N 3.09Å; D290-R292 WeakPolarHBondContact OD2-CD 3.36Å; D290-R292 VanDerWaalsContact OD2-CG 3.27Å; D290-R292 WeakPolarHBondContact OD2-CG 3.38Å; D290-R292 IonicContact OD2-CZ 3.38Å; D290-R292 IonicContact OD2-NE 3.13Å; D290-R292 PolarHBondContact OD2-NE 3.42Å; D290-R292 VanDerWaalsContact OD2-NE 3.13Å; D290-R292 IonicContact OD2-NH1 3.39Å; D290-R292 PolarHBondContact OD2-NH1 2.96Å
291S84.9Confident88.3Confident49 Ų4933 Ų3334%0.34318%0.179SC..SBendtrans58.125.4-178.2-46.10000114.4S288 P289 M584S288-S291 WeakPolarHBondContact O-CA 2.85Å; S288-S291 PolarHBondContact O-N 3.2Å; P289-S291 VanDerWaalsContact C-N 3.31Å; S291-M584 WeakPolarHBondContact OG-CE 3.3Å
292R86.8Confident88.8Confident113 Ų11326.7 Ų26.743%0.42615%0.148SC..SBendtrans-99.5-29.3-177.4-58.9-170.1-166.2157.9-4.6113.6S288 D290 L308 R309S288-R292 PolarHBondContact OG-N 2.81Å; S288-R292 VanDerWaalsContact OG-N 3.11Å; D290-R292 HydrophobicContact CB-CG 4.18Å; D290-R292 WeakPolarHBondContact O-CG 3.46Å; D290-R292 PolarHBondContact O-N 2.86Å; D290-R292 WeakPolarHBondContact OD1-CB 3.19Å; D290-R292 WeakPolarHBondContact OD1-CG 3.5Å; D290-R292 PolarHBondContact OD1-N 2.98Å; D290-R292 VanDerWaalsContact OD1-N 3.09Å; D290-R292 WeakPolarHBondContact OD2-CD 3.36Å; D290-R292 VanDerWaalsContact OD2-CG 3.27Å; D290-R292 WeakPolarHBondContact OD2-CG 3.38Å; D290-R292 IonicContact OD2-CZ 3.38Å; D290-R292 IonicContact OD2-NE 3.13Å; D290-R292 PolarHBondContact OD2-NE 3.42Å; D290-R292 VanDerWaalsContact OD2-NE 3.13Å; D290-R292 IonicContact OD2-NH1 3.39Å; D290-R292 PolarHBondContact OD2-NH1 2.96Å; R292-L308 PolarHBondContact O-N 2.86Å; R292-R309 VanDerWaalsContact CD-CZ 3.48Å; R292-R309 VanDerWaalsContact NE-NH1 3.19Å; R292-R309 VanDerWaalsContact NE-NH2 3.19Å
293L90.6Very high89.1Confident21 Ų2126.4 Ų26.411%0.1115%0.147CC..EExtended strand (participates in β ladder)trans-122.8146.3-174.8-58.1175.2000109.3S288 L305 W306 L313 F361 L382S288-L293 PolarHBondContact N-O 3.09Å; S288-L293 PolarHBondContact OG-N 2.81Å; S288-L293 PolarHBondContact OG-O 2.79Å; L293-L305 HydrophobicContact CB-CD1 4.11Å; L293-W306 WeakPolarHBondContact CA-O 3.18Å; L293-L313 HydrophobicContact CD2-CD2 3.63Å; L293-F361 HydrophobicContact CB-CE1 4.05Å; L293-F361 HydrophobicContact CB-CZ 3.9Å; L293-F361 HydrophobicContact CD1-CE1 4.21Å; L293-L382 HydrophobicContact CD1-CD1 3.92Å
294L91.8Very high89.3Confident9 Ų926 Ų265%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-121.1127.3169.6174.270.6000106.4F275 V287 L305 W306 L308 T592F275-L294 HydrophobicContact CE1-CD2 3.79Å; F275-L294 HydrophobicContact CE1-CG 4.44Å; F275-L294 HydrophobicContact CE2-CD2 4.38Å; F275-L294 HydrophobicContact CZ-CD1 4.07Å; F275-L294 HydrophobicContact CZ-CD2 3.47Å; F275-L294 VanDerWaalsContact CZ-CD2 3.47Å; F275-L294 HydrophobicContact CZ-CG 3.88Å; V287-L294 HydrophobicContact CG2-CD1 3.6Å; L294-L305 CarbonylContact O-C 3.59Å; L294-L305 WeakPolarHBondContact O-CA 2.98Å; L294-W306 HydrophobicContact CB-CB 4.33Å; L294-W306 HydrophobicContact CB-CE3 4.41Å; L294-W306 HydrophobicContact CD2-CE3 4.21Å; L294-W306 HydrophobicContact CG-CE3 4.11Å; L294-W306 PolarHBondContact N-O 3.32Å; L294-W306 PolarHBondContact O-N 2.83Å; L294-L308 HydrophobicContact CB-CD1 4.22Å; L294-L308 HydrophobicContact CB-CD2 4.05Å; L294-L308 HydrophobicContact CB-CG 4.13Å; L294-L308 HydrophobicContact CD2-CD2 4.35Å; L294-T592 HydrophobicContact CD1-CG2 4.1Å
295A93.1Very high89.5Confident0 Ų025.7 Ų25.70%014%0.14CC..EExtended strand (participates in β ladder)trans-111.4145.7172.400000109.6A285 E286 K304 L305 F361 L368A285-A295 WeakPolarHBondContact CA-O 3.36Å; E286-A295 PolarHBondContact N-O 2.8Å; E286-A295 PolarHBondContact O-N 3.18Å; A295-K304 CarbonylContact C-O 3.47Å; A295-K304 WeakPolarHBondContact CA-O 3.32Å; A295-L305 HydrophobicContact CB-CD1 4.06Å; A295-F361 HydrophobicContact CB-CE1 4.42Å; A295-F361 HydrophobicContact CB-CE2 3.56Å; A295-F361 HydrophobicContact CB-CZ 3.44Å; A295-F361 VanDerWaalsContact CB-CZ 3.44Å; A295-L368 HydrophobicContact CB-CD1 3.85Å; A295-L368 HydrophobicContact CB-CD2 3.88Å
296A92.3Very high89.5Confident0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-141.8139.7172.100000112.8F275 L282 A284 A285 F298 V303 K304 W306F275-A296 HydrophobicContact CE1-CB 4.27Å; F275-A296 HydrophobicContact CZ-CB 4.08Å; L282-A296 HydrophobicContact CD1-CB 3.55Å; A284-A296 CarbonylContact O-C 3.58Å; A284-A296 WeakPolarHBondContact O-CA 3.42Å; A284-A296 WeakPolarHBondContact O-CB 3.37Å; A285-A296 HydrophobicContact CB-CB 4.43Å; A296-F298 HydrophobicContact CB-CE2 3.77Å; A296-F298 HydrophobicContact CB-CZ 4.12Å; A296-V303 CarbonylContact O-C 3.6Å; A296-V303 VanDerWaalsContact O-CA 3.28Å; A296-V303 WeakPolarHBondContact O-CA 3.38Å; A296-K304 PolarHBondContact N-O 3.03Å; A296-K304 PolarHBondContact O-N 2.82Å; A296-W306 HydrophobicContact CB-CH2 3.72Å; A296-W306 HydrophobicContact CB-CZ3 3.45Å; A296-W306 VanDerWaalsContact CB-CZ3 3.45Å
297G92.2Very high89.4Confident0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-98.7136.7172.800000111.7N283 A284N283-G297 PolarHBondContact N-O 2.8Å; A284-G297 PolarHBondContact N-O 3.39Å; A284-G297 PolarHBondContact O-N 2.96Å
298F91.4Very high89.2Confident6 Ų630.9 Ų30.93%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-117.5160.2-177.3-66.7-92.2000112Q280 L282 A296 S300 S301 A302 K304 W306 V356Q280-F298 HydrophobicContact CB-CD1 4.19Å; L282-F298 HydrophobicContact CD1-CD1 4.32Å; L282-F298 HydrophobicContact CD1-CE1 3.81Å; L282-F298 HydrophobicContact CD1-CE2 4.33Å; L282-F298 HydrophobicContact CD1-CZ 3.81Å; A296-F298 HydrophobicContact CB-CE2 3.77Å; A296-F298 HydrophobicContact CB-CZ 4.12Å; F298-S300 WeakPolarHBondContact CB-OG 3.35Å; F298-S300 PolarHBondContact O-N 3.05Å; F298-S301 PolarHBondContact O-N 2.88Å; F298-A302 PolarHBondContact N-O 3.07Å; F298-K304 HydrophobicContact CD2-CD 4.26Å; F298-K304 HydrophobicContact CD2-CG 4.08Å; F298-K304 HydrophobicContact CE2-CB 3.77Å; F298-K304 HydrophobicContact CE2-CD 3.55Å; F298-K304 HydrophobicContact CE2-CG 3.58Å; F298-K304 HydrophobicContact CZ-CD 3.8Å; F298-K304 HydrophobicContact CZ-CG 4.35Å; F298-W306 AromaticContact CE2-CH2 3.89Å; F298-W306 HydrophobicContact CE2-CH2 3.89Å; F298-W306 AromaticContact CZ-CH2 3.81Å; F298-W306 HydrophobicContact CZ-CH2 3.81Å; F298-W306 HydrophobicContact CZ-CZ2 4.43Å; F298-V356 PolarHBondContact O-N 3.28Å; F298-V356 VanDerWaalsContact O-N 3.11Å
299D89.3Confident88.8Confident79 Ų7937.1 Ų37.142%0.42219%0.189SC..THydrogen-bonded Turntrans-65.1-27171.9-151.648.2000112.1Q280 M281 S301 P355Q280-D299 VanDerWaalsContact O-CB 3.32Å; Q280-D299 WeakPolarHBondContact O-CB 3.34Å; Q280-D299 PolarHBondContact O-N 2.8Å; M281-D299 HydrophobicContact CB-CB 3.98Å; M281-D299 PolarHBondContact O-N 2.85Å; M281-D299 VanDerWaalsContact O-N 3.15Å; D299-S301 PolarHBondContact O-N 3.21Å; D299-P355 VanDerWaalsContact OD1-CB 3.25Å; D299-P355 WeakPolarHBondContact OD1-CB 3.34Å; D299-P355 WeakPolarHBondContact OD1-CG 3.47Å
300S88.4Confident88.1Confident51 Ų5139.4 Ų39.436%0.35721%0.212SC..THydrogen-bonded Turntrans-68.810.8174.762.50000114.9Q280 F298 A302Q280-S300 PolarHBondContact OE1-OG 2.94Å; F298-S300 WeakPolarHBondContact CB-OG 3.35Å; F298-S300 PolarHBondContact O-N 3.05Å; S300-A302 PolarHBondContact O-N 3.24Å
301S88.9Confident87.8Confident27 Ų2746.6 Ų46.619%0.18924%0.236CC..SBendtrans64.510.5-176.6-420000114.9F298 D299 H352 G354F298-S301 PolarHBondContact O-N 2.88Å; D299-S301 PolarHBondContact O-N 3.21Å; S301-H352 VanDerWaalsContact CB-O 3.28Å; S301-H352 WeakPolarHBondContact CB-O 3.49Å; S301-G354 VanDerWaalsContact CA-O 3.26Å; S301-G354 WeakPolarHBondContact CA-O 3.28Å; S301-G354 VanDerWaalsContact CB-O 3.27Å; S301-G354 WeakPolarHBondContact CB-O 3.25Å; S301-G354 VanDerWaalsContact OG-CA 3.26Å; S301-G354 WeakPolarHBondContact OG-CA 3.1Å; S301-G354 PolarHBondContact OG-N 3.47Å; S301-G354 PolarHBondContact OG-O 2.98Å; S301-G354 VanDerWaalsContact OG-O 3.09Å
302A88.3Confident87.6Confident3 Ų348.8 Ų48.83%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-94.1145.9177.200000111.3F298 S300 M348F298-A302 PolarHBondContact N-O 3.07Å; S300-A302 PolarHBondContact O-N 3.24Å; A302-M348 HydrophobicContact CB-CG 4.2Å; A302-M348 HydrophobicContact CB-SD 4.23Å
303V90.8Very high87.3Confident0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-109123.8162.6179.40000107.6A296 L349 V356 T359 L368A296-V303 CarbonylContact O-C 3.6Å; A296-V303 VanDerWaalsContact O-CA 3.28Å; A296-V303 WeakPolarHBondContact O-CA 3.38Å; V303-L349 HydrophobicContact CB-CB 4.14Å; V303-L349 HydrophobicContact CB-CD1 4.45Å; V303-L349 HydrophobicContact CG1-CD1 4.2Å; V303-L349 PolarHBondContact N-O 3.14Å; V303-L349 WeakPolarHBondContact O-CA 3.39Å; V303-L349 WeakPolarHBondContact O-CB 3.26Å; V303-L349 PolarHBondContact O-N 3.42Å; V303-V356 HydrophobicContact CG2-CB 4.43Å; V303-V356 HydrophobicContact CG2-CG1 3.95Å; V303-V356 HydrophobicContact CG2-CG2 3.96Å; V303-T359 HydrophobicContact CG1-CG2 4.11Å; V303-T359 HydrophobicContact CG2-CG2 4.38Å; V303-L368 HydrophobicContact CG1-CD2 3.82Å
304K90.9Very high86.7Confident45 Ų4549.7 Ų49.720%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-104.9142.8174.7-61.7180-170.9175.10109.7A295 A296 F298 W306 M348A295-K304 CarbonylContact C-O 3.47Å; A295-K304 WeakPolarHBondContact CA-O 3.32Å; A296-K304 PolarHBondContact N-O 3.03Å; A296-K304 PolarHBondContact O-N 2.82Å; F298-K304 HydrophobicContact CD2-CD 4.26Å; F298-K304 HydrophobicContact CD2-CG 4.08Å; F298-K304 HydrophobicContact CE2-CB 3.77Å; F298-K304 HydrophobicContact CE2-CD 3.55Å; F298-K304 HydrophobicContact CE2-CG 3.58Å; F298-K304 HydrophobicContact CZ-CD 3.8Å; F298-K304 HydrophobicContact CZ-CG 4.35Å; K304-W306 HydrophobicContact CB-CE3 4.33Å; K304-W306 HydrophobicContact CB-CH2 3.33Å; K304-W306 HydrophobicContact CB-CZ2 3.75Å; K304-W306 HydrophobicContact CB-CZ3 3.65Å; K304-W306 HydrophobicContact CD-CH2 4.03Å; K304-W306 HydrophobicContact CD-CZ2 3.89Å; K304-W306 HydrophobicContact CG-CH2 4.27Å; K304-W306 HydrophobicContact CG-CZ2 4.48Å; K304-W306 WeakPolarHBondContact O-CZ3 3.34Å; K304-M348 HydrophobicContact CD-CE 4.44Å; K304-M348 HydrophobicContact CG-CE 4.47Å; K304-M348 HydrophobicContact CG-CG 4.31Å
305L90.9Very high85.8Confident0 Ų051.6 Ų51.60%026%0.262CS..EExtended strand (participates in β ladder)trans-122.9126.8178.8-172.377000109.2L293 L294 A295 L313 V346 K347 F361 L382 F385L293-L305 HydrophobicContact CB-CD1 4.11Å; L294-L305 CarbonylContact O-C 3.59Å; L294-L305 WeakPolarHBondContact O-CA 2.98Å; A295-L305 HydrophobicContact CB-CD1 4.06Å; L305-L313 HydrophobicContact CD2-CD1 4Å; L305-L313 HydrophobicContact CG-CD1 4.26Å; L305-V346 CarbonylContact O-C 3.57Å; L305-V346 VanDerWaalsContact O-CA 3.25Å; L305-V346 WeakPolarHBondContact O-CA 3.14Å; L305-K347 PolarHBondContact N-O 2.8Å; L305-K347 PolarHBondContact O-N 3.39Å; L305-F361 HydrophobicContact CD1-CE1 3.95Å; L305-F361 HydrophobicContact CD1-CZ 3.74Å; L305-L382 HydrophobicContact CD1-CD2 4.45Å; L305-L382 HydrophobicContact CD2-CD2 3.81Å; L305-F385 HydrophobicContact CD2-CD1 3.88Å; L305-F385 HydrophobicContact CD2-CE1 3.48Å; L305-F385 VanDerWaalsContact CD2-CE1 3.48Å
306W90.5Very high84.9Confident57 Ų5758.8 Ų58.822%0.21629%0.294CS..EExtended strand (participates in β ladder)trans-111.6140.8175.3-61.8-103.8000110.5F275 L293 L294 A296 F298 K304 V346F275-W306 HydrophobicContact CD1-CH2 4.09Å; F275-W306 HydrophobicContact CD1-CZ2 4.2Å; F275-W306 HydrophobicContact CE1-CD2 4.46Å; F275-W306 HydrophobicContact CE1-CE3 4.11Å; F275-W306 AromaticContact CE1-CH2 3.47Å; F275-W306 HydrophobicContact CE1-CH2 3.47Å; F275-W306 VanDerWaalsContact CE1-CH2 3.47Å; F275-W306 AromaticContact CE1-CZ2 3.88Å; F275-W306 HydrophobicContact CE1-CZ2 3.88Å; F275-W306 AromaticContact CE1-CZ3 3.63Å; F275-W306 HydrophobicContact CE1-CZ3 3.63Å; F275-W306 HydrophobicContact CZ-CH2 4.41Å; F275-W306 HydrophobicContact CZ-CZ3 4.23Å; L293-W306 WeakPolarHBondContact CA-O 3.18Å; L294-W306 HydrophobicContact CB-CB 4.33Å; L294-W306 HydrophobicContact CB-CE3 4.41Å; L294-W306 HydrophobicContact CD2-CE3 4.21Å; L294-W306 HydrophobicContact CG-CE3 4.11Å; L294-W306 PolarHBondContact N-O 3.32Å; L294-W306 PolarHBondContact O-N 2.83Å; A296-W306 HydrophobicContact CB-CH2 3.72Å; A296-W306 HydrophobicContact CB-CZ3 3.45Å; A296-W306 VanDerWaalsContact CB-CZ3 3.45Å; F298-W306 AromaticContact CE2-CH2 3.89Å; F298-W306 HydrophobicContact CE2-CH2 3.89Å; F298-W306 AromaticContact CZ-CH2 3.81Å; F298-W306 HydrophobicContact CZ-CH2 3.81Å; F298-W306 HydrophobicContact CZ-CZ2 4.43Å; K304-W306 HydrophobicContact CB-CE3 4.33Å; K304-W306 HydrophobicContact CB-CH2 3.33Å; K304-W306 HydrophobicContact CB-CZ2 3.75Å; K304-W306 HydrophobicContact CB-CZ3 3.65Å; K304-W306 HydrophobicContact CD-CH2 4.03Å; K304-W306 HydrophobicContact CD-CZ2 3.89Å; K304-W306 HydrophobicContact CG-CH2 4.27Å; K304-W306 HydrophobicContact CG-CZ2 4.48Å; K304-W306 WeakPolarHBondContact O-CZ3 3.34Å; W306-V346 HydrophobicContact CD2-CG1 4.46Å; W306-V346 HydrophobicContact CG-CG1 4.43Å; W306-V346 HydrophobicContact CG-CG2 4.11Å
307S89Confident83.5Confident24 Ų2464.9 Ų64.917%0.16833%0.334CS..EExtended strand (participates in β ladder)trans-80.8121.6162.3-172.10000109.6R309 R311 E345S307-R309 PolarHBondContact O-N 2.81Å; S307-R309 PolarHBondContact OG-N 3.34Å; S307-R309 PolarHBondContact OG-O 3.39Å; S307-R311 WeakPolarHBondContact CB-O 3.3Å; S307-R311 PolarHBondContact OG-O 3.19Å; S307-E345 PolarHBondContact N-O 2.85Å
308L85.5Confident82Confident55 Ų5569.7 Ų69.729%0.28836%0.356SS..SBendtrans-81.81171.9-61.5178.5000112.1Y273 V287 R292 L294Y273-L308 HydrophobicContact CE1-CD2 4.13Å; V287-L308 HydrophobicContact CG1-CD1 4.06Å; R292-L308 PolarHBondContact O-N 2.86Å; L294-L308 HydrophobicContact CB-CD1 4.22Å; L294-L308 HydrophobicContact CB-CD2 4.05Å; L294-L308 HydrophobicContact CB-CG 4.13Å; L294-L308 HydrophobicContact CD2-CD2 4.35Å
309R81.6Confident80.2Confident132 Ų13278.5 Ų78.550%0.49840%0.397SS..SBendtrans-112.7157.8176.2-67.5-171174.1-174.92.5110.3R292 S307 R311R292-R309 VanDerWaalsContact CD-CZ 3.48Å; R292-R309 VanDerWaalsContact NE-NH1 3.19Å; R292-R309 VanDerWaalsContact NE-NH2 3.19Å; S307-R309 PolarHBondContact O-N 2.81Å; S307-R309 PolarHBondContact OG-N 3.34Å; S307-R309 PolarHBondContact OG-O 3.39Å; R309-R311 PolarHBondContact O-N 3.26Å
310A70.7Confident78.4Confident106 Ų10677 Ų7788%0.87640%0.395SS*.SBendtrans-59.5-10.9173.600000114.6
311R76.4Confident76.7Confident202 Ų20279 Ų7976%0.76240%0.402SS*.SBendtrans-80.7122.1175.2-72.6-170.2177.5-172.4-1109.6S307 R309S307-R311 WeakPolarHBondContact CB-O 3.3Å; S307-R311 PolarHBondContact OG-O 3.19Å; R309-R311 PolarHBondContact O-N 3.26Å
312K80.6Confident75Confident95 Ų9583.2 Ų83.241%0.41343%0.427SS..PPolyproline II helixtrans-69.1147.1173.7-53.3-162.9-176-177.70111.5K314 C342 G343 S344 E345K312-K314 PolarHBondContact O-N 2.9Å; K312-C342 PolarHBondContact NZ-SG 2.96Å; K312-G343 WeakPolarHBondContact CD-O 3.31Å; K312-S344 CarbonylContact C-O 3.35Å; K312-E345 HydrophobicContact CD-CG 4.49Å; K312-E345 HydrophobicContact CG-CG 4.24Å
313L80.6Confident73.3Confident16 Ų1687.2 Ų87.28%0.08445%0.454CS..BIsolated β-bridgetrans-71.6119.2175.2-57.9174.3000109.4L293 L305 G343 S344 K347 F385L293-L313 HydrophobicContact CD2-CD2 3.63Å; L305-L313 HydrophobicContact CD2-CD1 4Å; L305-L313 HydrophobicContact CG-CD1 4.26Å; L313-G343 CarbonylContact O-C 3.6Å; L313-G343 WeakPolarHBondContact O-CA 3.35Å; L313-S344 WeakPolarHBondContact CA-O 3.45Å; L313-S344 VanDerWaalsContact CB-O 3.3Å; L313-S344 WeakPolarHBondContact CB-O 3.47Å; L313-S344 PolarHBondContact N-O 3.01Å; L313-S344 PolarHBondContact O-N 3.45Å; L313-K347 HydrophobicContact CB-CG 4.16Å; L313-K347 HydrophobicContact CD1-CB 4.16Å; L313-K347 HydrophobicContact CD1-CG 4.12Å; L313-F385 HydrophobicContact CB-CE1 4.43Å; L313-F385 HydrophobicContact CB-CE2 4.14Å; L313-F385 HydrophobicContact CB-CZ 3.73Å; L313-F385 HydrophobicContact CD1-CE1 4.41Å; L313-F385 HydrophobicContact CD1-CZ 4.5Å; L313-F385 HydrophobicContact CD2-CE1 4.41Å; L313-F385 HydrophobicContact CD2-CZ 4.08Å; L313-F385 HydrophobicContact CG-CZ 4.31Å
314K78.4Confident71.3Confident137 Ų13792 Ų9260%0.59647%0.473SS*.  trans-118.1123.1178.5-68.1-169.4-179.9-145.50109.4K312 G341K312-K314 PolarHBondContact O-N 2.9Å; K314-G341 PolarHBondContact NZ-O 2.82Å
315A72.6Confident69.1Low48 Ų4894.2 Ų94.240%0.39749%0.486SS..PPolyproline II helixtrans-69.1132.1174.600000109.4F385A315-F385 HydrophobicContact CB-CD2 4.02Å; A315-F385 HydrophobicContact CB-CE2 4.5Å
316K73.4Confident66.9Low152 Ų152100.1 Ų100.166%0.66151%0.513SS*.PPolyproline II helixtrans-80.8153.9164.6-69.2179.5-177.3174.30109.1H318 G383K316-H318 PolarHBondContact O-N 2.67Å; K316-H318 VanDerWaalsContact O-N 3.17Å; K316-G383 PolarHBondContact N-O 2.83Å
317P62.5Low64.9Low128 Ų128104.8 Ų104.883%0.83154%0.541SS*.PPolyproline II helixtrans-53.9125.1175.520.7-31.4000110Q319P317-Q319 PolarHBondContact O-N 3.04Å
318H60.3Low62.7Low100 Ų100104.8 Ų104.846%0.46354%0.543SS..PPolyproline II helixtrans-66.2124.1-177-18074.7000110K316 A320 T386K316-H318 PolarHBondContact O-N 2.67Å; K316-H318 VanDerWaalsContact O-N 3.17Å; H318-A320 WeakPolarHBondContact NE2-CA 3.19Å; H318-A320 VanDerWaalsContact NE2-CB 3.28Å; H318-A320 WeakPolarHBondContact NE2-CB 3.24Å; H318-T386 PolarHBondContact CE1-OG1 3.17Å; H318-T386 PolarHBondContact ND1-OG1 3.45Å
319Q55.1Low60.8Low191 Ų191106.9 Ų106.989%0.89356%0.561SS**  trans-104.587172.2-149.817110.200106.7P317 D321P317-Q319 PolarHBondContact O-N 3.04Å; Q319-D321 PolarHBondContact O-N 2.94Å; Q319-D321 VanDerWaalsContact O-N 3.16Å
320A51.4Low59.2Low47 Ų47103.4 Ų103.439%0.38855%0.553SS.*  trans-63.9113.4-178.200000109.9H318 V322 I325H318-A320 WeakPolarHBondContact NE2-CA 3.19Å; H318-A320 VanDerWaalsContact NE2-CB 3.28Å; H318-A320 WeakPolarHBondContact NE2-CB 3.24Å; A320-V322 PolarHBondContact O-N 2.77Å; A320-I325 HydrophobicContact CB-CD1 4.4Å
321D51.3Low58.1Low95 Ų95103.1 Ų103.151%0.50854%0.539SS..  trans-79.898.7166.4-169.1-15.1000108.8Q319 S323 Y324Q319-D321 PolarHBondContact O-N 2.94Å; Q319-D321 VanDerWaalsContact O-N 3.16Å; D321-S323 PolarHBondContact O-N 2.73Å; D321-S323 WeakPolarHBondContact OD1-CB 3.5Å; D321-S323 PolarHBondContact OD1-N 2.87Å; D321-S323 VanDerWaalsContact OD1-N 3.12Å; D321-S323 PolarHBondContact OD1-OG 3.42Å; D321-S323 PolarHBondContact OD2-OG 3.21Å; D321-Y324 HydrophobicContact CB-CD2 4.27Å; D321-Y324 PolarHBondContact O-N 3.03Å
322V53.8Low56.8Low115 Ų11599 Ų9970%0.69753%0.529SS*.G310 helixtrans-59.4-18.2-176.5-167.90000112.6A320 Y324 I325A320-V322 PolarHBondContact O-N 2.77Å; V322-Y324 VanDerWaalsContact C-N 3.31Å; V322-Y324 PolarHBondContact O-N 3.12Å; V322-I325 HydrophobicContact CB-CD1 4.23Å; V322-I325 HydrophobicContact CG1-CD1 4.21Å; V322-I325 HydrophobicContact CG2-CD1 4.31Å
323S52.7Low55.1Low86 Ų86101.1 Ų101.160%0.60154%0.54SS*.G310 helixtrans-72.2-19.6-179.567.80000114.5D321D321-S323 PolarHBondContact O-N 2.73Å; D321-S323 WeakPolarHBondContact OD1-CB 3.5Å; D321-S323 PolarHBondContact OD1-N 2.87Å; D321-S323 VanDerWaalsContact OD1-N 3.12Å; D321-S323 PolarHBondContact OD1-OG 3.42Å; D321-S323 PolarHBondContact OD2-OG 3.21Å
324Y48.3Very low53.4Low102 Ų102107.5 Ų107.540%0.457%0.57SS.*G310 helixtrans-110.12.9-179.3-64-78.8000114.2D321 V322 H326 S425D321-Y324 HydrophobicContact CB-CD2 4.27Å; D321-Y324 PolarHBondContact O-N 3.03Å; V322-Y324 VanDerWaalsContact C-N 3.31Å; V322-Y324 PolarHBondContact O-N 3.12Å; Y324-H326 PolarHBondContact O-N 2.61Å; Y324-S425 WeakPolarHBondContact CE1-O 3.49Å
325I46Very low51.7Low91 Ų91107.6 Ų107.647%0.46757%0.572SS.*  trans-74.187.3-176.6-55.1179.9000110.3A320 V322A320-I325 HydrophobicContact CB-CD1 4.4Å; V322-I325 HydrophobicContact CB-CD1 4.23Å; V322-I325 HydrophobicContact CG1-CD1 4.21Å; V322-I325 HydrophobicContact CG2-CD1 4.31Å
326H44.8Very low50.3Low124 Ų124111.8 Ų111.857%0.57459%0.593SS**  trans-83.6110.9146-76.1-68.7000106.4Y324 A328Y324-H326 PolarHBondContact O-N 2.61Å; H326-A328 PolarHBondContact O-N 3.36Å
327L47.2Very low48.9Very low154 Ų154111 Ų11181%0.80660%0.595SS**  trans-36.592.9-176.9-79.4103.7000112.5
328A44.2Very low48.2Very low24 Ų24110 Ų11020%0.19858%0.58CS.*  trans-85.4116.6158.300000105H326 D330 N387H326-A328 PolarHBondContact O-N 3.36Å; A328-D330 PolarHBondContact O-N 2.7Å; A328-N387 HydrophobicContact CB-CB 4.14Å; A328-N387 WeakPolarHBondContact CB-OD1 3.47Å
329C43.8Very low47.6Very low99 Ų99114.3 Ų114.367%0.66960%0.6SS**  trans-67.383.5173.1-64.70000108.7V331C329-V331 VanDerWaalsContact C-N 3.31Å; C329-V331 PolarHBondContact O-N 3.26Å
330D49.9Very low47.2Very low60 Ų60112.1 Ų112.132%0.32160%0.595SS.*  trans-72.792.4167.2-74.72.5000106.5A328 Q332 T386 N387A328-D330 PolarHBondContact O-N 2.7Å; D330-Q332 PolarHBondContact O-N 2.98Å; D330-T386 WeakPolarHBondContact OD2-CB 3.47Å; D330-N387 WeakPolarHBondContact OD1-CB 3.41Å; D330-N387 PolarHBondContact OD2-N 2.91Å
331V46.4Very low47.4Very low99 Ų99112.4 Ų112.460%0.660%0.603SS**  trans-78.785.5163.6-174.80000106C329 E333C329-V331 VanDerWaalsContact C-N 3.31Å; C329-V331 PolarHBondContact O-N 3.26Å; V331-E333 VanDerWaalsContact C-N 3.25Å; V331-E333 HydrophobicContact CG1-CG 4.25Å; V331-E333 PolarHBondContact O-N 2.58Å
332Q48.6Very low47.7Very low117 Ų117111.5 Ų111.555%0.54760%0.602SS.*  trans-70.593.3159-170173.1-100105.4D330 E334D330-Q332 PolarHBondContact O-N 2.98Å; Q332-E334 VanDerWaalsContact C-N 3.33Å; Q332-E334 PolarHBondContact O-N 3.41Å
333E44.6Very low48.3Very low138 Ų138106.6 Ų106.665%0.64558%0.576SS**  trans-61.6110.6154.6-84.2-179.4166.700104.7V331 E335V331-E333 VanDerWaalsContact C-N 3.25Å; V331-E333 HydrophobicContact CG1-CG 4.25Å; V331-E333 PolarHBondContact O-N 2.58Å; E333-E335 PolarHBondContact O-N 3.3Å
334E45.1Very low49.5Very low151 Ų151104.6 Ų104.671%0.70656%0.561SS**  trans-56.691.1155.3-69.7-177.3171.400105.3Q332 V336Q332-E334 VanDerWaalsContact C-N 3.33Å; Q332-E334 PolarHBondContact O-N 3.41Å; E334-V336 PolarHBondContact O-N 3.31Å; E334-V336 VanDerWaalsContact O-N 3.16Å
335E43.3Very low51.2Low139 Ų139105.5 Ų105.565%0.6557%0.569SS**  trans-52.6125.7156-78.9-174169.200105.1E333 D337E333-E335 PolarHBondContact O-N 3.3Å; E335-D337 PolarHBondContact O-N 2.92Å
336V43.5Very low53.1Low136 Ų136103.8 Ų103.882%0.82456%0.563SS**THydrogen-bonded Turntrans-60.112.8-163.6176.10000114.1E334E334-V336 PolarHBondContact O-N 3.31Å; E334-V336 VanDerWaalsContact O-N 3.16Å
337D43.4Very low55Low134 Ų13499.5 Ų99.572%0.71754%0.543SS*.THydrogen-bonded Turntrans-105.13-173.3-64.5-29.2000114.3E335 E339E335-D337 PolarHBondContact O-N 2.92Å; D337-E339 PolarHBondContact O-N 2.86Å
338E48.1Very low56.9Low109 Ų10995.9 Ų95.951%0.50952%0.523SS..THydrogen-bonded Turntrans-81.320.5177.2-69.8-162.2178.700114.5D340 K347E338-D340 VanDerWaalsContact C-N 3.26Å; E338-D340 PolarHBondContact O-N 3.41Å; E338-K347 IonicContact OE1-NZ 2.84Å; E338-K347 PolarHBondContact OE1-NZ 3.31Å
339E47.6Very low58.9Low190 Ų19095 Ų9589%0.88851%0.514SS*.THydrogen-bonded Turntrans-71.3-17.2168.7-72.9-166.4165.500113.1D337D337-E339 PolarHBondContact O-N 2.86Å
340D46.8Very low60.9Low144 Ų14496.6 Ų96.677%0.7751%0.506SS*.SBendtrans-113.10.6-170.2-86.6-17.8000116.6E338 C342E338-D340 VanDerWaalsContact C-N 3.26Å; E338-D340 PolarHBondContact O-N 3.41Å; D340-C342 HydrophobicContact CB-CB 4.42Å; D340-C342 PolarHBondContact O-N 3.06Å
341G56.9Low62.3Low54 Ų5494.4 Ų94.456%0.55750%0.498SS*.  trans58.814.4-177.500000114.5K314K314-G341 PolarHBondContact NZ-O 2.82Å
342C56.8Low64.4Low75 Ų7590.3 Ų90.351%0.50747%0.472SS..  trans-85110.4174.9-165.30000106.8K312 D340K312-C342 PolarHBondContact NZ-SG 2.96Å; D340-C342 HydrophobicContact CB-CB 4.42Å; D340-C342 PolarHBondContact O-N 3.06Å
343G66.7Low66.4Low13 Ų1389.7 Ų89.713%0.13448%0.481CS..  trans-59.2175-178.900000113K312 L313K312-G343 WeakPolarHBondContact CD-O 3.31Å; L313-G343 CarbonylContact O-C 3.6Å; L313-G343 WeakPolarHBondContact O-CA 3.35Å
344S77.9Confident68.6Low43 Ų4383.5 Ų83.530%0.30146%0.455SS..BIsolated β-bridgetrans-104.4152.4176.5-176.30000111.9K312 L313 V346K312-S344 CarbonylContact C-O 3.35Å; L313-S344 WeakPolarHBondContact CA-O 3.45Å; L313-S344 VanDerWaalsContact CB-O 3.3Å; L313-S344 WeakPolarHBondContact CB-O 3.47Å; L313-S344 PolarHBondContact N-O 3.01Å; L313-S344 PolarHBondContact O-N 3.45Å; S344-V346 VanDerWaalsContact C-N 3.27Å; S344-V346 VanDerWaalsContact CB-O 3.3Å; S344-V346 WeakPolarHBondContact CB-O 3.48Å; S344-V346 PolarHBondContact OG-N 2.95Å; S344-V346 PolarHBondContact OG-O 3.04Å
345E82.7Confident70.9Confident122 Ų12277.1 Ų77.157%0.5743%0.426SS*.SBendtrans-73.5-25.8170.1-66.5-177.8175.400111.9S307 K312S307-E345 PolarHBondContact N-O 2.85Å; K312-E345 HydrophobicContact CD-CG 4.49Å; K312-E345 HydrophobicContact CG-CG 4.24Å
346V85.9Confident73.4Confident54 Ų5470.5 Ų70.533%0.32740%0.395SS..EExtended strand (participates in β ladder)trans-129.5130.1-179.3-170.80000109.7L305 W306 S344L305-V346 CarbonylContact O-C 3.57Å; L305-V346 VanDerWaalsContact O-CA 3.25Å; L305-V346 WeakPolarHBondContact O-CA 3.14Å; W306-V346 HydrophobicContact CD2-CG1 4.46Å; W306-V346 HydrophobicContact CG-CG1 4.43Å; W306-V346 HydrophobicContact CG-CG2 4.11Å; S344-V346 VanDerWaalsContact C-N 3.27Å; S344-V346 VanDerWaalsContact CB-O 3.3Å; S344-V346 WeakPolarHBondContact CB-O 3.48Å; S344-V346 PolarHBondContact OG-N 2.95Å; S344-V346 PolarHBondContact OG-O 3.04Å
347K86.1Confident75.8Confident34 Ų3466.8 Ų66.815%0.14837%0.367CS..EExtended strand (participates in β ladder)trans-114.4135.3169.6-79.6-77.2-175.4179.50109L305 L313 E338 F385L305-K347 PolarHBondContact N-O 2.8Å; L305-K347 PolarHBondContact O-N 3.39Å; L313-K347 HydrophobicContact CB-CG 4.16Å; L313-K347 HydrophobicContact CD1-CB 4.16Å; L313-K347 HydrophobicContact CD1-CG 4.12Å; E338-K347 IonicContact OE1-NZ 2.84Å; E338-K347 PolarHBondContact OE1-NZ 3.31Å; K347-F385 HydrophobicContact CB-CD1 4.36Å; K347-F385 HydrophobicContact CB-CG 4.48Å; K347-F385 HydrophobicContact CG-CD1 4.45Å; K347-F385 HydrophobicContact CG-CD2 4.32Å; K347-F385 HydrophobicContact CG-CG 4.26Å
348M86.3Confident78.3Confident79 Ų7962.4 Ų62.439%0.38934%0.34SS..EExtended strand (participates in β ladder)trans-101.8122.6175.5-168.7175.5-53.100109.2A302 K304 R350A302-M348 HydrophobicContact CB-CG 4.2Å; A302-M348 HydrophobicContact CB-SD 4.23Å; K304-M348 HydrophobicContact CD-CE 4.44Å; K304-M348 HydrophobicContact CG-CE 4.47Å; K304-M348 HydrophobicContact CG-CG 4.31Å; M348-R350 HydrophobicContact CG-CG 4.1Å; M348-R350 HydrophobicContact SD-CG 4.25Å; M348-R350 PolarHBondContact SD-NE 2.96Å; M348-R350 PolarHBondContact SD-NH2 3.38Å; M348-R350 VanDerWaalsContact SD-NH2 3.38Å
349L87.4Confident80.6Confident4 Ų457.3 Ų57.32%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-101.1114.4177-50.4175.4000107.5V303 L368 W380 F385V303-L349 HydrophobicContact CB-CB 4.14Å; V303-L349 HydrophobicContact CB-CD1 4.45Å; V303-L349 HydrophobicContact CG1-CD1 4.2Å; V303-L349 PolarHBondContact N-O 3.14Å; V303-L349 WeakPolarHBondContact O-CA 3.39Å; V303-L349 WeakPolarHBondContact O-CB 3.26Å; V303-L349 PolarHBondContact O-N 3.42Å; L349-L368 HydrophobicContact CD1-CD2 4.18Å; L349-W380 HydrophobicContact CB-CD2 4.09Å; L349-W380 HydrophobicContact CB-CE3 3.81Å; L349-W380 HydrophobicContact CB-CH2 4Å; L349-W380 HydrophobicContact CB-CZ2 4.27Å; L349-W380 HydrophobicContact CB-CZ3 3.76Å; L349-W380 HydrophobicContact CD1-CB 4.06Å; L349-W380 HydrophobicContact CD1-CD2 3.89Å; L349-W380 HydrophobicContact CD1-CE3 4.1Å; L349-W380 HydrophobicContact CD1-CG 3.87Å; L349-W380 HydrophobicContact CD2-CE3 4.16Å; L349-W380 HydrophobicContact CG-CD2 4.46Å; L349-W380 HydrophobicContact CG-CE3 4.24Å; L349-F385 HydrophobicContact CD2-CB 3.91Å; L349-F385 VanDerWaalsContact CD2-O 3.32Å; L349-F385 WeakPolarHBondContact CD2-O 3.45Å
350R84Confident82.8Confident133 Ų13348.4 Ų48.450%0.50228%0.275SS..EExtended strand (participates in β ladder)trans-114.4132.1179-66.3-169.9-179.7-167.97.5109.2M348M348-R350 HydrophobicContact CG-CG 4.1Å; M348-R350 HydrophobicContact SD-CG 4.25Å; M348-R350 PolarHBondContact SD-NE 2.96Å; M348-R350 PolarHBondContact SD-NH2 3.38Å; M348-R350 VanDerWaalsContact SD-NH2 3.38Å
351G81Confident85.1Confident15 Ų1542 Ų4216%0.15524%0.24CC..  trans-178.1-34.1177.600000113R378G351-R378 PolarHBondContact O-NH1 2.99Å; G351-R378 PolarHBondContact O-NH2 3.07Å
352H89.8Confident86.7Confident12 Ų1240 Ų406%0.05622%0.217CC..  trans-64.6155.3174.3-76.7-64.9000112.3S301 V356 S370 S372 D374 T376S301-H352 VanDerWaalsContact CB-O 3.28Å; S301-H352 WeakPolarHBondContact CB-O 3.49Å; H352-V356 HydrophobicContact CB-CG2 4.24Å; H352-S370 PolarHBondContact CD2-OG 2.89Å; H352-S370 PolarHBondContact NE2-OG 3.29Å; H352-S372 VanDerWaalsContact CE1-CB 3.49Å; H352-S372 WeakPolarHBondContact CE1-CB 3.35Å; H352-S372 WeakPolarHBondContact ND1-CB 3.15Å; H352-D374 VanDerWaalsContact CA-OD2 3.29Å; H352-D374 WeakPolarHBondContact CA-OD2 3.48Å; H352-D374 IonicContact CG-OD2 3.62Å; H352-D374 IonicContact ND1-OD1 3.94Å; H352-D374 PolarHBondContact ND1-OD1 2.73Å; H352-D374 IonicContact ND1-OD2 3.2Å; H352-D374 PolarHBondContact ND1-OD2 3Å; H352-T376 PolarHBondContact ND1-OG1 3.05Å
353S90Very high88Confident105 Ų10539.5 Ų39.573%0.73421%0.212SC*.SBendtrans-117.826.7176.7-60.20000112.4D374S353-D374 PolarHBondContact N-OD2 2.99Å
354G90.6Very high88.8Confident8 Ų842.8 Ų42.88%0.08223%0.226CC..SBendtrans-167.4176173.200000111.6S301 V356 S372S301-G354 VanDerWaalsContact CA-O 3.26Å; S301-G354 WeakPolarHBondContact CA-O 3.28Å; S301-G354 VanDerWaalsContact CB-O 3.27Å; S301-G354 WeakPolarHBondContact CB-O 3.25Å; S301-G354 VanDerWaalsContact OG-CA 3.26Å; S301-G354 WeakPolarHBondContact OG-CA 3.1Å; S301-G354 PolarHBondContact OG-N 3.47Å; S301-G354 PolarHBondContact OG-O 2.98Å; S301-G354 VanDerWaalsContact OG-O 3.09Å; G354-V356 PolarHBondContact O-N 3.32Å; G354-S372 VanDerWaalsContact C-OG 3.3Å; G354-S372 PolarHBondContact O-OG 3.06Å
355P94.3Very high89.2Confident17 Ų1741.4 Ų41.411%0.1122%0.216CC..  trans-49.2137.8177.1-30.537.6000112.7D299 Y357 S372 E373D299-P355 VanDerWaalsContact OD1-CB 3.25Å; D299-P355 WeakPolarHBondContact OD1-CB 3.34Å; D299-P355 WeakPolarHBondContact OD1-CG 3.47Å; P355-Y357 HydrophobicContact CB-CE1 4.08Å; P355-S372 CarbonylContact O-C 3.58Å; P355-S372 WeakPolarHBondContact O-CA 3.48Å; P355-S372 WeakPolarHBondContact O-CB 3.49Å; P355-S372 PolarHBondContact O-OG 3.03Å; P355-E373 VanDerWaalsContact CD-OE2 3.26Å; P355-E373 WeakPolarHBondContact CD-OE2 3.5Å; P355-E373 VanDerWaalsContact CG-OE2 3.32Å; P355-E373 WeakPolarHBondContact CG-OE2 3.45Å; P355-E373 PolarHBondContact O-N 2.95Å
356V95.3Very high89.4Confident0 Ų037.8 Ų37.80%021%0.205CC..EExtended strand (participates in β ladder)trans-93.8109.8177-178.30000109.2N283 F298 V303 H352 G354 T359 C371N283-V356 WeakPolarHBondContact CB-O 3.38Å; F298-V356 PolarHBondContact O-N 3.28Å; F298-V356 VanDerWaalsContact O-N 3.11Å; V303-V356 HydrophobicContact CG2-CB 4.43Å; V303-V356 HydrophobicContact CG2-CG1 3.95Å; V303-V356 HydrophobicContact CG2-CG2 3.96Å; H352-V356 HydrophobicContact CB-CG2 4.24Å; G354-V356 PolarHBondContact O-N 3.32Å; V356-T359 HydrophobicContact CG1-CG2 4.08Å; V356-C371 WeakPolarHBondContact CA-O 3.36Å; V356-C371 WeakPolarHBondContact CG1-O 3.28Å
357Y94.9Very high89.6Confident57 Ų5735.2 Ų35.222%0.22419%0.189CC..EExtended strand (participates in β ladder)trans-86.4-27.8-173.3-67.2-56.6000114.1A284 P355 C371 E373 P397 V398 W399A284-Y357 WeakPolarHBondContact CB-O 3.47Å; P355-Y357 HydrophobicContact CB-CE1 4.08Å; Y357-C371 PolarHBondContact N-O 3.39Å; Y357-E373 HydrophobicContact CD2-CB 4.45Å; Y357-E373 HydrophobicContact CE2-CB 3.53Å; Y357-E373 HydrophobicContact CE2-CG 3.99Å; Y357-E373 PolarHBondContact OH-OE2 3.02Å; Y357-P397 HydrophobicContact CE2-CB 4.31Å; Y357-V398 WeakPolarHBondContact CD2-O 3.24Å; Y357-W399 WeakPolarHBondContact CB-O 3.17Å; Y357-W399 HydrophobicContact CD1-CE3 4.25Å; Y357-W399 HydrophobicContact CD1-CZ3 4.21Å; Y357-W399 AromaticContact CD2-CE3 3.71Å; Y357-W399 HydrophobicContact CD2-CE3 3.71Å; Y357-W399 AromaticContact CD2-CZ3 3.84Å; Y357-W399 HydrophobicContact CD2-CZ3 3.84Å; Y357-W399 HydrophobicContact CE1-CE3 4.35Å; Y357-W399 AromaticContact CE1-CZ3 3.84Å; Y357-W399 HydrophobicContact CE1-CZ3 3.84Å; Y357-W399 AromaticContact CE2-CE3 3.81Å; Y357-W399 HydrophobicContact CE2-CE3 3.81Å; Y357-W399 HydrophobicContact CE2-CH2 4.34Å; Y357-W399 AromaticContact CE2-CZ3 3.43Å; Y357-W399 HydrophobicContact CE2-CZ3 3.43Å; Y357-W399 VanDerWaalsContact CE2-CZ3 3.43Å; Y357-W399 AromaticContact CG-CE3 3.95Å; Y357-W399 HydrophobicContact CG-CE3 3.95Å; Y357-W399 HydrophobicContact CG-CZ3 4.22Å; Y357-W399 AromaticContact CZ-CZ3 3.46Å; Y357-W399 VanDerWaalsContact CZ-CZ3 3.46Å
358R95.4Very high89.9Confident43 Ų4333.6 Ų33.616%0.16218%0.182CC..EExtended strand (participates in β ladder)trans-148.7147.5176.7-165.974.3-170.7-159.24.5111.6E286 S370 C371 D400 L401E286-R358 IonicContact OE2-NH2 3.96Å; E286-R358 PolarHBondContact OE2-NH2 2.9Å; R358-S370 WeakPolarHBondContact O-CA 3.29Å; R358-C371 VanDerWaalsContact CB-SG 3.56Å; R358-C371 PolarHBondContact O-N 3.36Å; R358-D400 WeakPolarHBondContact CD-OD1 3.04Å; R358-D400 VanDerWaalsContact CG-OD1 3.26Å; R358-D400 WeakPolarHBondContact CG-OD1 3.31Å; R358-D400 IonicContact CZ-OD1 3.48Å; R358-D400 IonicContact NE-OD1 3.99Å; R358-D400 IonicContact NH1-OD1 2.89Å; R358-L401 HydrophobicContact CB-CD2 4.03Å; R358-L401 HydrophobicContact CB-CG 4.08Å; R358-L401 HydrophobicContact CG-CD2 4.22Å; R358-L401 HydrophobicContact CG-CG 3.8Å; R358-L401 WeakPolarHBondContact O-CD2 3.2Å
359T95.4Very high90.4Very high1 Ų129.8 Ų29.81%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-127.8143.316757.40000108.9V303 V356 L369V303-T359 HydrophobicContact CG1-CG2 4.11Å; V303-T359 HydrophobicContact CG2-CG2 4.38Å; V356-T359 HydrophobicContact CG1-CG2 4.08Å; T359-L369 CarbonylContact C-O 3.59Å; T359-L369 WeakPolarHBondContact CA-O 3.38Å
360A95.3Very high90.8Very high3 Ų329.6 Ų29.63%0.02516%0.163CC..EExtended strand (participates in β ladder)trans-142.9139.1170.300000112.4E286 L369 L401 I403E286-A360 WeakPolarHBondContact OE1-CA 3.34Å; A360-L369 PolarHBondContact N-O 2.76Å; A360-L369 PolarHBondContact O-N 2.99Å; A360-L401 HydrophobicContact CB-CD1 3.26Å; A360-L401 HydrophobicContact CB-CG 4.33Å; A360-I403 HydrophobicContact CB-CD1 3.84Å; A360-I403 HydrophobicContact CB-CG1 4.32Å; A360-I403 VanDerWaalsContact O-CD1 3.32Å; A360-I403 WeakPolarHBondContact O-CD1 3.41Å
361F94.1Very high91.3Very high9 Ų923.3 Ų23.34%0.03914%0.139CC..EExtended strand (participates in β ladder)trans-85.3147.3178.7-75-82.6000112.3E286 L293 A295 L305 L368 L382 I403E286-F361 HydrophobicContact CG-CD2 4.34Å; E286-F361 WeakPolarHBondContact O-CE2 3.39Å; E286-F361 PolarHBondContact OE1-N 2.79Å; L293-F361 HydrophobicContact CB-CE1 4.05Å; L293-F361 HydrophobicContact CB-CZ 3.9Å; L293-F361 HydrophobicContact CD1-CE1 4.21Å; A295-F361 HydrophobicContact CB-CE1 4.42Å; A295-F361 HydrophobicContact CB-CE2 3.56Å; A295-F361 HydrophobicContact CB-CZ 3.44Å; A295-F361 VanDerWaalsContact CB-CZ 3.44Å; L305-F361 HydrophobicContact CD1-CE1 3.95Å; L305-F361 HydrophobicContact CD1-CZ 3.74Å; F361-L368 HydrophobicContact CD1-CB 4.42Å; F361-L368 HydrophobicContact CD1-CD1 3.73Å; F361-L368 HydrophobicContact CD2-CD1 4Å; F361-L368 HydrophobicContact CE1-CD1 3.78Å; F361-L368 HydrophobicContact CE2-CD1 4.04Å; F361-L368 HydrophobicContact CG-CD1 3.87Å; F361-L368 HydrophobicContact CZ-CD1 3.94Å; F361-L382 HydrophobicContact CD1-CD1 3.81Å; F361-L382 HydrophobicContact CE1-CD1 3.68Å; F361-I403 WeakPolarHBondContact O-CD1 3.25Å
362L90.9Very high92.1Very high13 Ų1322.6 Ų22.67%0.06813%0.131CC..  trans-61.1153.2162.5-67.6-176000110.6D364 S365 G367 Y379 I403 F424L362-D364 WeakPolarHBondContact CB-OD1 3.38Å; L362-D364 PolarHBondContact O-N 2.9Å; L362-S365 WeakPolarHBondContact O-CA 3.26Å; L362-S365 PolarHBondContact O-N 3.04Å; L362-G367 PolarHBondContact N-O 3.46Å; L362-Y379 HydrophobicContact CD1-CE2 3.87Å; L362-Y379 HydrophobicContact CG-CE2 4.32Å; L362-I403 HydrophobicContact CD2-CD1 4.15Å; L362-I403 HydrophobicContact CD2-CG2 4.1Å; L362-F424 HydrophobicContact CD2-CE1 3.86Å; L362-F424 HydrophobicContact CD2-CE2 4.11Å; L362-F424 HydrophobicContact CD2-CZ 3.44Å; L362-F424 VanDerWaalsContact CD2-CZ 3.44Å
363T84.8Confident92.3Very high64 Ų6426.2 Ų26.239%0.39315%0.148SC..THydrogen-bonded Turntrans-62.3-27.3-177.854.80000113.7S365 P405 S407T363-S365 VanDerWaalsContact C-N 3.35Å; T363-P405 WeakPolarHBondContact CG2-O 3.32Å; T363-S407 WeakPolarHBondContact CB-OG 3.38Å; T363-S407 WeakPolarHBondContact CG2-OG 3.38Å; T363-S407 PolarHBondContact N-OG 2.77Å; T363-S407 VanDerWaalsContact N-OG 3.11Å; T363-S407 PolarHBondContact OG1-OG 3.44Å
364D81.8Confident92.5Very high83 Ų8322.7 Ų22.744%0.44412%0.121SC..THydrogen-bonded Turntrans-89-1.8175.669.7-16.7000113.2L362 S366L362-D364 WeakPolarHBondContact CB-OD1 3.38Å; L362-D364 PolarHBondContact O-N 2.9Å; D364-S366 PolarHBondContact O-N 2.94Å; D364-S366 PolarHBondContact OD1-N 2.76Å; D364-S366 PolarHBondContact OD1-OG 3.01Å; D364-S366 VanDerWaalsContact OD2-CB 3.22Å; D364-S366 WeakPolarHBondContact OD2-CB 3.01Å; D364-S366 PolarHBondContact OD2-OG 3.48Å
365S86.5Confident92.6Very high13 Ų1324 Ų249%0.09113%0.129CC..SBendtrans59.223.5-176.1-46.80000114.3L362 T363 L382L362-S365 WeakPolarHBondContact O-CA 3.26Å; L362-S365 PolarHBondContact O-N 3.04Å; T363-S365 VanDerWaalsContact C-N 3.35Å; S365-L382 WeakPolarHBondContact O-CD1 3.32Å
366S87.3Confident92.5Very high46 Ų4623.5 Ų23.532%0.32213%0.126SC..SBendtrans-84.9-25.917866.60000113.6D364 L382D364-S366 PolarHBondContact O-N 2.94Å; D364-S366 PolarHBondContact OD1-N 2.76Å; D364-S366 PolarHBondContact OD1-OG 3.01Å; D364-S366 VanDerWaalsContact OD2-CB 3.22Å; D364-S366 WeakPolarHBondContact OD2-CB 3.01Å; D364-S366 PolarHBondContact OD2-OG 3.48Å; S366-L382 VanDerWaalsContact O-CB 3.25Å; S366-L382 WeakPolarHBondContact O-CB 3.25Å; S366-L382 PolarHBondContact O-N 2.79Å
367G89.6Confident92.5Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-137.5162.1-177.600000112.7L362 W380L362-G367 PolarHBondContact N-O 3.46Å; G367-W380 WeakPolarHBondContact CA-O 3.24Å
368L94.4Very high92.4Very high0 Ų021.7 Ų21.70%012%0.118CC..EExtended strand (participates in β ladder)trans-131.6133.6178.7179.875.5000109.9A295 V303 L349 F361 Y379 W380 L382A295-L368 HydrophobicContact CB-CD1 3.85Å; A295-L368 HydrophobicContact CB-CD2 3.88Å; V303-L368 HydrophobicContact CG1-CD2 3.82Å; L349-L368 HydrophobicContact CD1-CD2 4.18Å; F361-L368 HydrophobicContact CD1-CB 4.42Å; F361-L368 HydrophobicContact CD1-CD1 3.73Å; F361-L368 HydrophobicContact CD2-CD1 4Å; F361-L368 HydrophobicContact CE1-CD1 3.78Å; F361-L368 HydrophobicContact CE2-CD1 4.04Å; F361-L368 HydrophobicContact CG-CD1 3.87Å; F361-L368 HydrophobicContact CZ-CD1 3.94Å; L368-Y379 WeakPolarHBondContact O-CA 3.4Å; L368-W380 HydrophobicContact CB-CB 4.28Å; L368-W380 PolarHBondContact N-O 3.29Å; L368-W380 PolarHBondContact O-N 3.01Å; L368-L382 HydrophobicContact CB-CD1 4.29Å; L368-L382 HydrophobicContact CB-CD2 3.94Å; L368-L382 HydrophobicContact CB-CG 4.3Å
369L95.6Very high92.2Very high0 Ų021.3 Ų21.30%012%0.117CC..EExtended strand (participates in β ladder)trans-99143166.7-72.2179000110.5T359 A360 I377 R378 Y379 Y391 L401 I403 F410 F424T359-L369 CarbonylContact C-O 3.59Å; T359-L369 WeakPolarHBondContact CA-O 3.38Å; A360-L369 PolarHBondContact N-O 2.76Å; A360-L369 PolarHBondContact O-N 2.99Å; L369-I377 HydrophobicContact CD2-CG2 4.31Å; L369-R378 CarbonylContact C-O 3.5Å; L369-R378 VanDerWaalsContact CA-O 3.31Å; L369-R378 WeakPolarHBondContact CA-O 3.42Å; L369-Y379 HydrophobicContact CD2-CD2 3.86Å; L369-Y379 HydrophobicContact CD2-CG 4.28Å; L369-Y379 HydrophobicContact CG-CD2 4.42Å; L369-Y391 HydrophobicContact CD2-CE2 4.2Å; L369-L401 HydrophobicContact CB-CD1 3.74Å; L369-L401 HydrophobicContact CB-CD2 4.31Å; L369-L401 HydrophobicContact CD1-CD1 4.31Å; L369-I403 HydrophobicContact CB-CD1 4.37Å; L369-I403 HydrophobicContact CD1-CD1 3.93Å; L369-I403 HydrophobicContact CD1-CG1 3.69Å; L369-I403 HydrophobicContact CG-CD1 4.19Å; L369-I403 HydrophobicContact CG-CG1 4.49Å; L369-F410 HydrophobicContact CD1-CB 3.56Å; L369-F410 HydrophobicContact CD1-CD1 3.75Å; L369-F410 HydrophobicContact CD1-CD2 3.74Å; L369-F410 HydrophobicContact CD1-CE1 4.33Å; L369-F410 HydrophobicContact CD1-CE2 4.32Å; L369-F410 HydrophobicContact CD1-CG 3.41Å; L369-F410 VanDerWaalsContact CD1-CG 3.41Å; L369-F424 HydrophobicContact CD1-CE1 3.86Å; L369-F424 HydrophobicContact CD1-CZ 4.16Å; L369-F424 HydrophobicContact CD2-CE1 4.08Å; L369-F424 HydrophobicContact CG-CE1 4.09Å
370S95.5Very high91.9Very high0 Ų021.4 Ų21.40%012%0.118CC..EExtended strand (participates in β ladder)trans-133.2143.8168.461.20000111.2H352 R358 I377 R378 W380H352-S370 PolarHBondContact CD2-OG 2.89Å; H352-S370 PolarHBondContact NE2-OG 3.29Å; R358-S370 WeakPolarHBondContact O-CA 3.29Å; S370-I377 CarbonylContact O-C 3.57Å; S370-I377 VanDerWaalsContact O-CA 3.3Å; S370-I377 WeakPolarHBondContact O-CA 3.3Å; S370-I377 WeakPolarHBondContact O-CG2 3.47Å; S370-R378 PolarHBondContact N-O 3.18Å; S370-R378 PolarHBondContact O-N 3.13Å; S370-W380 PolarHBondContact OG-NE1 2.96Å
371C96Very high91.5Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-122.7149.5173.377.70000111V356 Y357 R358 I377 V398 L401V356-C371 WeakPolarHBondContact CA-O 3.36Å; V356-C371 WeakPolarHBondContact CG1-O 3.28Å; Y357-C371 PolarHBondContact N-O 3.39Å; R358-C371 VanDerWaalsContact CB-SG 3.56Å; R358-C371 PolarHBondContact O-N 3.36Å; C371-I377 HydrophobicContact CB-CG1 4.07Å; C371-V398 HydrophobicContact CB-CB 3.83Å; C371-V398 HydrophobicContact CB-CG1 3.57Å; C371-V398 PolarHBondContact SG-O 3.2Å; C371-L401 HydrophobicContact CB-CD2 3.64Å
372S95.9Very high91.2Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-140166.4-169.7174.50000112.7H352 G354 P355 D374 S375 T376 V398H352-S372 VanDerWaalsContact CE1-CB 3.49Å; H352-S372 WeakPolarHBondContact CE1-CB 3.35Å; H352-S372 WeakPolarHBondContact ND1-CB 3.15Å; G354-S372 VanDerWaalsContact C-OG 3.3Å; G354-S372 PolarHBondContact O-OG 3.06Å; P355-S372 CarbonylContact O-C 3.58Å; P355-S372 WeakPolarHBondContact O-CA 3.48Å; P355-S372 WeakPolarHBondContact O-CB 3.49Å; P355-S372 PolarHBondContact O-OG 3.03Å; S372-D374 WeakPolarHBondContact CB-OD1 3.19Å; S372-D374 PolarHBondContact O-N 3.08Å; S372-D374 PolarHBondContact OG-N 2.84Å; S372-S375 PolarHBondContact O-N 3.19Å; S372-T376 PolarHBondContact N-O 3.15Å; S372-V398 PolarHBondContact O-N 2.8Å
373E95.6Very high90.8Very high89 Ų8924.4 Ų24.442%0.41614%0.139SC..THydrogen-bonded Turntrans-56.6-27.5167.6-161.6171.3153.600113.4P355 Y357 S375 P397P355-E373 VanDerWaalsContact CD-OE2 3.26Å; P355-E373 WeakPolarHBondContact CD-OE2 3.5Å; P355-E373 VanDerWaalsContact CG-OE2 3.32Å; P355-E373 WeakPolarHBondContact CG-OE2 3.45Å; P355-E373 PolarHBondContact O-N 2.95Å; Y357-E373 HydrophobicContact CD2-CB 4.45Å; Y357-E373 HydrophobicContact CE2-CB 3.53Å; Y357-E373 HydrophobicContact CE2-CG 3.99Å; Y357-E373 PolarHBondContact OH-OE2 3.02Å; E373-S375 PolarHBondContact O-N 3.33Å; E373-P397 HydrophobicContact CG-CB 4.12Å; E373-P397 HydrophobicContact CG-CG 3.7Å
374D93.3Very high90.5Very high31 Ų3122 Ų2217%0.16613%0.125CC..THydrogen-bonded Turntrans-66.58.4179.170.712.6000114.4H352 S353 S372 T376H352-D374 VanDerWaalsContact CA-OD2 3.29Å; H352-D374 WeakPolarHBondContact CA-OD2 3.48Å; H352-D374 IonicContact CG-OD2 3.62Å; H352-D374 IonicContact ND1-OD1 3.94Å; H352-D374 PolarHBondContact ND1-OD1 2.73Å; H352-D374 IonicContact ND1-OD2 3.2Å; H352-D374 PolarHBondContact ND1-OD2 3Å; S353-D374 PolarHBondContact N-OD2 2.99Å; S372-D374 WeakPolarHBondContact CB-OD1 3.19Å; S372-D374 PolarHBondContact O-N 3.08Å; S372-D374 PolarHBondContact OG-N 2.84Å; D374-T376 WeakPolarHBondContact O-CG2 3.44Å; D374-T376 PolarHBondContact O-N 3.2Å; D374-T376 WeakPolarHBondContact OD1-CA 3.43Å; D374-T376 VanDerWaalsContact OD1-CB 3.28Å; D374-T376 WeakPolarHBondContact OD1-CB 3.41Å; D374-T376 PolarHBondContact OD1-N 3Å; D374-T376 PolarHBondContact OD1-OG1 2.81Å; D374-T376 PolarHBondContact OD2-OG1 3.08Å
375S93.4Very high90.5Very high35 Ų3519.2 Ų19.225%0.24511%0.109CC..SBendtrans65.89.1-177.9720000115.2S372 E373 H394 Y396S372-S375 PolarHBondContact O-N 3.19Å; E373-S375 PolarHBondContact O-N 3.33Å; S375-H394 WeakPolarHBondContact CB-O 3.48Å; S375-Y396 WeakPolarHBondContact CA-O 3.49Å; S375-Y396 VanDerWaalsContact CB-O 3.25Å; S375-Y396 WeakPolarHBondContact CB-O 3.38Å
376T92.6Very high90.2Very high7 Ų719.3 Ų19.34%0.04311%0.109CC..EExtended strand (participates in β ladder)trans-106.8153.8-17977.40000112.6H352 S372 D374 L390 Q392H352-T376 PolarHBondContact ND1-OG1 3.05Å; S372-T376 PolarHBondContact N-O 3.15Å; D374-T376 WeakPolarHBondContact O-CG2 3.44Å; D374-T376 PolarHBondContact O-N 3.2Å; D374-T376 WeakPolarHBondContact OD1-CA 3.43Å; D374-T376 VanDerWaalsContact OD1-CB 3.28Å; D374-T376 WeakPolarHBondContact OD1-CB 3.41Å; D374-T376 PolarHBondContact OD1-N 3Å; D374-T376 PolarHBondContact OD1-OG1 2.81Å; D374-T376 PolarHBondContact OD2-OG1 3.08Å; T376-L390 HydrophobicContact CG2-CD1 4.08Å; T376-Q392 HydrophobicContact CG2-CG 4.06Å
377I95.2Very high90Very high0 Ų017.8 Ų17.80%010%0.097CC..EExtended strand (participates in β ladder)trans-117.6135167.9-52165.7000106.8L369 S370 C371 Y391 V398 F410 S412 W422L369-I377 HydrophobicContact CD2-CG2 4.31Å; S370-I377 CarbonylContact O-C 3.57Å; S370-I377 VanDerWaalsContact O-CA 3.3Å; S370-I377 WeakPolarHBondContact O-CA 3.3Å; S370-I377 WeakPolarHBondContact O-CG2 3.47Å; C371-I377 HydrophobicContact CB-CG1 4.07Å; I377-Y391 HydrophobicContact CB-CD2 4.32Å; I377-Y391 HydrophobicContact CG2-CD2 4.32Å; I377-Y391 PolarHBondContact N-O 2.89Å; I377-Y391 VanDerWaalsContact N-O 3.07Å; I377-Y391 WeakPolarHBondContact O-CD2 3.26Å; I377-Y391 PolarHBondContact O-N 3.46Å; I377-V398 HydrophobicContact CD1-CG1 4.32Å; I377-V398 HydrophobicContact CG1-CG1 4.25Å; I377-V398 HydrophobicContact CG1-CG2 4.39Å; I377-F410 HydrophobicContact CD1-CE2 3.95Å; I377-F410 HydrophobicContact CG2-CE2 4.01Å; I377-S412 VanDerWaalsContact CD1-CB 3.42Å; I377-W422 HydrophobicContact CD1-CZ2 4.3Å
378R92.1Very high89.6Confident18 Ų1820.1 Ų20.17%0.06811%0.112CC..EExtended strand (participates in β ladder)trans-119.5138.3-176.8-74.5-179.8-173.5-107.2-2.2110.4G351 L369 S370 W380 N387 L390G351-R378 PolarHBondContact O-NH1 2.99Å; G351-R378 PolarHBondContact O-NH2 3.07Å; L369-R378 CarbonylContact C-O 3.5Å; L369-R378 VanDerWaalsContact CA-O 3.31Å; L369-R378 WeakPolarHBondContact CA-O 3.42Å; S370-R378 PolarHBondContact N-O 3.18Å; S370-R378 PolarHBondContact O-N 3.13Å; R378-W380 HydrophobicContact CB-CZ2 4.17Å; R378-N387 WeakPolarHBondContact CB-ND2 3.26Å; R378-L390 HydrophobicContact CG-CD1 3.64Å
379Y92Very high89.1Confident36 Ų3620.8 Ų20.814%0.14112%0.116CC..EExtended strand (participates in β ladder)trans-104.1127.8168.5176.1-89.7000110.4L362 L368 L369 D381 N387 T388 V389 F424L362-Y379 HydrophobicContact CD1-CE2 3.87Å; L362-Y379 HydrophobicContact CG-CE2 4.32Å; L368-Y379 WeakPolarHBondContact O-CA 3.4Å; L369-Y379 HydrophobicContact CD2-CD2 3.86Å; L369-Y379 HydrophobicContact CD2-CG 4.28Å; L369-Y379 HydrophobicContact CG-CD2 4.42Å; Y379-D381 HydrophobicContact CE1-CB 4.44Å; Y379-N387 PolarHBondContact O-ND2 3.39Å; Y379-T388 WeakPolarHBondContact CD1-OG1 3.18Å; Y379-T388 WeakPolarHBondContact CE1-OG1 3.35Å; Y379-T388 PolarHBondContact O-N 3.01Å; Y379-V389 PolarHBondContact N-O 3.1Å; Y379-F424 AromaticContact CD2-CD1 3.97Å; Y379-F424 HydrophobicContact CD2-CD1 3.97Å; Y379-F424 AromaticContact CD2-CE1 3.97Å; Y379-F424 HydrophobicContact CD2-CE1 3.97Å; Y379-F424 HydrophobicContact CE2-CD1 4.25Å; Y379-F424 HydrophobicContact CE2-CE1 4.25Å
380W89Confident88.8Confident3 Ų321.7 Ų21.71%0.01112%0.12CC..EExtended strand (participates in β ladder)trans-111.1123.5179.4-52.390.9000108.9L349 G367 L368 S370 R378 T386 N387L349-W380 HydrophobicContact CB-CD2 4.09Å; L349-W380 HydrophobicContact CB-CE3 3.81Å; L349-W380 HydrophobicContact CB-CH2 4Å; L349-W380 HydrophobicContact CB-CZ2 4.27Å; L349-W380 HydrophobicContact CB-CZ3 3.76Å; L349-W380 HydrophobicContact CD1-CB 4.06Å; L349-W380 HydrophobicContact CD1-CD2 3.89Å; L349-W380 HydrophobicContact CD1-CE3 4.1Å; L349-W380 HydrophobicContact CD1-CG 3.87Å; L349-W380 HydrophobicContact CD2-CE3 4.16Å; L349-W380 HydrophobicContact CG-CD2 4.46Å; L349-W380 HydrophobicContact CG-CE3 4.24Å; G367-W380 WeakPolarHBondContact CA-O 3.24Å; L368-W380 HydrophobicContact CB-CB 4.28Å; L368-W380 PolarHBondContact N-O 3.29Å; L368-W380 PolarHBondContact O-N 3.01Å; S370-W380 PolarHBondContact OG-NE1 2.96Å; R378-W380 HydrophobicContact CB-CZ2 4.17Å; W380-T386 WeakPolarHBondContact CA-O 3.48Å; W380-N387 HydrophobicContact CD2-CB 4.43Å; W380-N387 HydrophobicContact CE3-CB 3.8Å; W380-N387 HydrophobicContact CH2-CB 4.1Å; W380-N387 HydrophobicContact CZ3-CB 3.62Å
381D86.4Confident88.5Confident46 Ų4621.8 Ų21.825%0.24612%0.121CC..EExtended strand (participates in β ladder)trans-77.9121.2169.316842.1000109Y379 G383 S384 F385 T386 T388Y379-D381 HydrophobicContact CE1-CB 4.44Å; D381-G383 PolarHBondContact O-N 3.49Å; D381-G383 PolarHBondContact OD1-N 2.81Å; D381-S384 WeakPolarHBondContact OD2-CB 3.35Å; D381-S384 PolarHBondContact OD2-N 2.96Å; D381-S384 PolarHBondContact OD2-OG 2.68Å; D381-F385 WeakPolarHBondContact O-CA 3.34Å; D381-F385 PolarHBondContact O-N 2.84Å; D381-T386 PolarHBondContact N-O 2.96Å; D381-T386 VanDerWaalsContact N-O 3.08Å; D381-T388 HydrophobicContact CB-CG2 3.6Å
382L86.6Confident88.2Confident17 Ų1727.7 Ų27.79%0.08915%0.148CC..THydrogen-bonded Turntrans-82.7-3.9-179.3-55.6174.7000112.5L293 L305 F361 S365 S366 L368 F385L293-L382 HydrophobicContact CD1-CD1 3.92Å; L305-L382 HydrophobicContact CD1-CD2 4.45Å; L305-L382 HydrophobicContact CD2-CD2 3.81Å; F361-L382 HydrophobicContact CD1-CD1 3.81Å; F361-L382 HydrophobicContact CE1-CD1 3.68Å; S365-L382 WeakPolarHBondContact O-CD1 3.32Å; S366-L382 VanDerWaalsContact O-CB 3.25Å; S366-L382 WeakPolarHBondContact O-CB 3.25Å; S366-L382 PolarHBondContact O-N 2.79Å; L368-L382 HydrophobicContact CB-CD1 4.29Å; L368-L382 HydrophobicContact CB-CD2 3.94Å; L368-L382 HydrophobicContact CB-CG 4.3Å; L382-F385 HydrophobicContact CB-CE1 4.47Å; L382-F385 VanDerWaalsContact O-CE1 3.28Å; L382-F385 WeakPolarHBondContact O-CE1 3.46Å; L382-F385 VanDerWaalsContact O-CZ 3.23Å; L382-F385 WeakPolarHBondContact O-CZ 3.4Å
383G82.6Confident87.8Confident24 Ų2429.1 Ų29.125%0.24716%0.163CC..THydrogen-bonded Turntrans-75.5-44.2168.900000112.8K316 D381K316-G383 PolarHBondContact N-O 2.83Å; D381-G383 PolarHBondContact O-N 3.49Å; D381-G383 PolarHBondContact OD1-N 2.81Å
384S78.8Confident87.6Confident13 Ų1325.3 Ų25.39%0.09115%0.146CC..THydrogen-bonded Turntrans-103.7-15-179.759.90000114.3D381 T386D381-S384 WeakPolarHBondContact OD2-CB 3.35Å; D381-S384 PolarHBondContact OD2-N 2.96Å; D381-S384 PolarHBondContact OD2-OG 2.68Å; S384-T386 VanDerWaalsContact C-N 3.27Å; S384-T386 PolarHBondContact O-N 2.98Å; S384-T386 PolarHBondContact OG-OG1 2.82Å
385F83.1Confident87.6Confident26 Ų2626.7 Ų26.711%0.11417%0.167CC..THydrogen-bonded Turntrans59.433.4-173.4-52.9-73.3000113.8L305 L313 A315 K347 L349 D381 L382L305-F385 HydrophobicContact CD2-CD1 3.88Å; L305-F385 HydrophobicContact CD2-CE1 3.48Å; L305-F385 VanDerWaalsContact CD2-CE1 3.48Å; L313-F385 HydrophobicContact CB-CE1 4.43Å; L313-F385 HydrophobicContact CB-CE2 4.14Å; L313-F385 HydrophobicContact CB-CZ 3.73Å; L313-F385 HydrophobicContact CD1-CE1 4.41Å; L313-F385 HydrophobicContact CD1-CZ 4.5Å; L313-F385 HydrophobicContact CD2-CE1 4.41Å; L313-F385 HydrophobicContact CD2-CZ 4.08Å; L313-F385 HydrophobicContact CG-CZ 4.31Å; A315-F385 HydrophobicContact CB-CD2 4.02Å; A315-F385 HydrophobicContact CB-CE2 4.5Å; K347-F385 HydrophobicContact CB-CD1 4.36Å; K347-F385 HydrophobicContact CB-CG 4.48Å; K347-F385 HydrophobicContact CG-CD1 4.45Å; K347-F385 HydrophobicContact CG-CD2 4.32Å; K347-F385 HydrophobicContact CG-CG 4.26Å; L349-F385 HydrophobicContact CD2-CB 3.91Å; L349-F385 VanDerWaalsContact CD2-O 3.32Å; L349-F385 WeakPolarHBondContact CD2-O 3.45Å; D381-F385 WeakPolarHBondContact O-CA 3.34Å; D381-F385 PolarHBondContact O-N 2.84Å; L382-F385 HydrophobicContact CB-CE1 4.47Å; L382-F385 VanDerWaalsContact O-CE1 3.28Å; L382-F385 WeakPolarHBondContact O-CE1 3.46Å; L382-F385 VanDerWaalsContact O-CZ 3.23Å; L382-F385 WeakPolarHBondContact O-CZ 3.4Å
386T79.3Confident87.7Confident15 Ų1531.2 Ų31.29%0.09218%0.179CC..EExtended strand (participates in β ladder)trans-115.4156.8-179.859.10000111.1H318 D330 W380 D381 S384 T388H318-T386 PolarHBondContact CE1-OG1 3.17Å; H318-T386 PolarHBondContact ND1-OG1 3.45Å; D330-T386 WeakPolarHBondContact OD2-CB 3.47Å; W380-T386 WeakPolarHBondContact CA-O 3.48Å; D381-T386 PolarHBondContact N-O 2.96Å; D381-T386 VanDerWaalsContact N-O 3.08Å; S384-T386 VanDerWaalsContact C-N 3.27Å; S384-T386 PolarHBondContact O-N 2.98Å; S384-T386 PolarHBondContact OG-OG1 2.82Å; T386-T388 PolarHBondContact O-N 3.26Å
387N83.3Confident87.9Confident14 Ų1432.1 Ų32.18%0.07519%0.185CC..EExtended strand (participates in β ladder)trans-79.5118171.3-179.8-124.7000108.9A328 D330 R378 Y379 W380 V389A328-N387 HydrophobicContact CB-CB 4.14Å; A328-N387 WeakPolarHBondContact CB-OD1 3.47Å; D330-N387 WeakPolarHBondContact OD1-CB 3.41Å; D330-N387 PolarHBondContact OD2-N 2.91Å; R378-N387 WeakPolarHBondContact CB-ND2 3.26Å; Y379-N387 PolarHBondContact O-ND2 3.39Å; W380-N387 HydrophobicContact CD2-CB 4.43Å; W380-N387 HydrophobicContact CE3-CB 3.8Å; W380-N387 HydrophobicContact CH2-CB 4.1Å; W380-N387 HydrophobicContact CZ3-CB 3.62Å; N387-V389 PolarHBondContact ND2-O 3.2Å
388T81.3Confident88Confident49 Ų4932.1 Ų32.130%0.30119%0.185SC..EExtended strand (participates in β ladder)trans-98.8-31.1-179.574.70000112.8Y379 D381 T386Y379-T388 WeakPolarHBondContact CD1-OG1 3.18Å; Y379-T388 WeakPolarHBondContact CE1-OG1 3.35Å; Y379-T388 PolarHBondContact O-N 3.01Å; D381-T388 HydrophobicContact CB-CG2 3.6Å; T386-T388 PolarHBondContact O-N 3.26Å
389V83.8Confident88.2Confident14 Ų1434.7 Ų34.79%0.08520%0.195CC..EExtended strand (participates in β ladder)trans-137.5139.9-179.3-171.90000111.1Y379 N387 Y391Y379-V389 PolarHBondContact N-O 3.1Å; N387-V389 PolarHBondContact ND2-O 3.2Å; V389-Y391 HydrophobicContact CB-CE2 4.07Å; V389-Y391 HydrophobicContact CG1-CD1 4.27Å; V389-Y391 HydrophobicContact CG1-CD2 4.34Å; V389-Y391 HydrophobicContact CG1-CE1 3.75Å; V389-Y391 HydrophobicContact CG1-CE2 3.82Å; V389-Y391 VanDerWaalsContact CG1-CZ 3.48Å
390L88.3Confident88.4Confident18 Ų1833.4 Ų33.49%0.09419%0.191CC..EExtended strand (participates in β ladder)trans-113.6121.2170.9-175.969.3000109.4T376 R378 Q392T376-L390 HydrophobicContact CG2-CD1 4.08Å; R378-L390 HydrophobicContact CG-CD1 3.64Å; L390-Q392 HydrophobicContact CD2-CG 4.09Å; L390-Q392 HydrophobicContact CG-CG 4.05Å
391Y91.1Very high88.8Confident2 Ų233.2 Ų33.21%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-100.9118.1174.5-51.3-89.8000109.2L369 I377 V389 F410 W422 F424 R426L369-Y391 HydrophobicContact CD2-CE2 4.2Å; I377-Y391 HydrophobicContact CB-CD2 4.32Å; I377-Y391 HydrophobicContact CG2-CD2 4.32Å; I377-Y391 PolarHBondContact N-O 2.89Å; I377-Y391 VanDerWaalsContact N-O 3.07Å; I377-Y391 WeakPolarHBondContact O-CD2 3.26Å; I377-Y391 PolarHBondContact O-N 3.46Å; V389-Y391 HydrophobicContact CB-CE2 4.07Å; V389-Y391 HydrophobicContact CG1-CD1 4.27Å; V389-Y391 HydrophobicContact CG1-CD2 4.34Å; V389-Y391 HydrophobicContact CG1-CE1 3.75Å; V389-Y391 HydrophobicContact CG1-CE2 3.82Å; V389-Y391 VanDerWaalsContact CG1-CZ 3.48Å; Y391-F410 HydrophobicContact CD1-CE1 4.25Å; Y391-F410 AromaticContact CD1-CZ 3.8Å; Y391-F410 HydrophobicContact CD1-CZ 3.8Å; Y391-F410 HydrophobicContact CD2-CE1 4.35Å; Y391-F410 AromaticContact CD2-CZ 3.71Å; Y391-F410 HydrophobicContact CD2-CZ 3.71Å; Y391-F410 AromaticContact CE1-CE1 3.88Å; Y391-F410 HydrophobicContact CE1-CE1 3.88Å; Y391-F410 AromaticContact CE1-CZ 3.91Å; Y391-F410 HydrophobicContact CE1-CZ 3.91Å; Y391-F410 HydrophobicContact CE2-CE1 4.01Å; Y391-F410 AromaticContact CE2-CZ 3.84Å; Y391-F410 HydrophobicContact CE2-CZ 3.84Å; Y391-F410 HydrophobicContact CG-CE1 4.48Å; Y391-F410 AromaticContact CG-CZ 3.71Å; Y391-F410 HydrophobicContact CG-CZ 3.71Å; Y391-F410 AromaticContact CZ-CE1 3.78Å; Y391-F410 AromaticContact CZ-CZ 3.95Å; Y391-W422 HydrophobicContact CD1-CE3 4.12Å; Y391-W422 HydrophobicContact CG-CE3 4.45Å; Y391-F424 VanDerWaalsContact OH-CA 3.26Å; Y391-F424 WeakPolarHBondContact OH-CA 3.31Å; Y391-F424 PolarHBondContact OH-O 3.1Å; Y391-R426 VanDerWaalsContact CD1-O 3.25Å; Y391-R426 WeakPolarHBondContact CD1-O 3.15Å; Y391-R426 VanDerWaalsContact CE1-O 3.22Å; Y391-R426 WeakPolarHBondContact CE1-O 3.5Å
392Q89Confident89.2Confident124 Ų12432.2 Ų32.258%0.57918%0.184SC*.EExtended strand (participates in β ladder)trans-118.4128.4177.1-68.9-172.3-1900109.3T376 L390 S427T376-Q392 HydrophobicContact CG2-CG 4.06Å; L390-Q392 HydrophobicContact CD2-CG 4.09Å; L390-Q392 HydrophobicContact CG-CG 4.05Å; Q392-S427 PolarHBondContact N-O 3.01Å
393G86.8Confident89.6Confident31 Ų3132 Ų3232%0.3218%0.184SC..  trans-172.7-33.9172.400000112.8R420G393-R420 PolarHBondContact O-NH1 2.84Å; G393-R420 PolarHBondContact O-NH2 2.7Å
394H92.9Very high89.9Confident9 Ų930.9 Ų30.94%0.04217%0.172CC..  trans-65.4141.5169.3-70.9-72.4000109.6S375 V398 S412 S414 D416 R420S375-H394 WeakPolarHBondContact CB-O 3.48Å; H394-V398 HydrophobicContact CB-CG2 3.87Å; H394-S412 PolarHBondContact NE2-OG 3.09Å; H394-S414 WeakPolarHBondContact CE1-CB 3.37Å; H394-S414 WeakPolarHBondContact ND1-CB 3.27Å; H394-S414 PolarHBondContact ND1-OG 2.81Å; H394-D416 IonicContact CE1-OD1 2.78Å; H394-D416 IonicContact CE1-OD2 3.22Å; H394-D416 IonicContact CG-OD2 3.26Å; H394-D416 IonicContact ND1-OD1 2.87Å; H394-D416 PolarHBondContact ND1-OD1 3.39Å; H394-D416 IonicContact ND1-OD2 3.89Å; H394-D416 PolarHBondContact ND1-OD2 3.17Å; H394-R420 WeakPolarHBondContact CE1-CD 3.24Å; H394-R420 PolarHBondContact CE1-NE 2.92Å; H394-R420 VanDerWaalsContact CE1-NE 3.27Å; H394-R420 PolarHBondContact ND1-NE 3.16Å; H394-R420 WeakPolarHBondContact NE2-CD 3.26Å
395G91.2Very high90.1Very high59 Ų5932.9 Ų32.961%0.60818%0.184SC*.SBendtrans-96.84.6174.400000113
396Y96.1Very high89.9Confident131 Ų13131.7 Ų31.751%0.51418%0.179SC..SBendtrans-146167.6-171.3-71.6-87.7000109.5S375 S414 H415 D416S375-Y396 WeakPolarHBondContact CA-O 3.49Å; S375-Y396 VanDerWaalsContact CB-O 3.25Å; S375-Y396 WeakPolarHBondContact CB-O 3.38Å; Y396-S414 PolarHBondContact O-OG 3.43Å; Y396-H415 AromaticContact CD1-CD2 3.55Å; Y396-D416 HydrophobicContact CD2-CB 3.66Å; Y396-D416 HydrophobicContact CE2-CB 4.49Å; Y396-D416 HydrophobicContact CG-CB 4.27Å
397P97Very high90.1Very high26 Ų2631.4 Ų31.417%0.16918%0.178CC..  trans-48.9140.9177.7-33.339.8000113.7Y357 E373 W399 S414 H415Y357-P397 HydrophobicContact CE2-CB 4.31Å; E373-P397 HydrophobicContact CG-CB 4.12Å; E373-P397 HydrophobicContact CG-CG 3.7Å; P397-W399 HydrophobicContact CB-CH2 4.2Å; P397-W399 HydrophobicContact CB-CZ2 4.22Å; P397-W399 HydrophobicContact CB-CZ3 4.47Å; P397-S414 WeakPolarHBondContact O-CA 3.43Å; P397-S414 WeakPolarHBondContact O-CB 3.37Å; P397-S414 PolarHBondContact O-OG 2.88Å; P397-H415 HydrophobicContact CB-CB 4.49Å; P397-H415 PolarHBondContact O-N 2.85Å
398V97.7Very high90.1Very high0 Ų031.3 Ų31.30%018%0.177CC..EExtended strand (participates in β ladder)trans-103.1115.6176.1-174.70000108.3Y357 C371 S372 I377 H394 G413Y357-V398 WeakPolarHBondContact CD2-O 3.24Å; C371-V398 HydrophobicContact CB-CB 3.83Å; C371-V398 HydrophobicContact CB-CG1 3.57Å; C371-V398 PolarHBondContact SG-O 3.2Å; S372-V398 PolarHBondContact O-N 2.8Å; I377-V398 HydrophobicContact CD1-CG1 4.32Å; I377-V398 HydrophobicContact CG1-CG1 4.25Å; I377-V398 HydrophobicContact CG1-CG2 4.39Å; H394-V398 HydrophobicContact CB-CG2 3.87Å; V398-G413 CarbonylContact C-O 3.51Å; V398-G413 WeakPolarHBondContact CG1-O 3.24Å
399W96.4Very high90.4Very high71 Ų7129.6 Ų29.627%0.26917%0.165SC..EExtended strand (participates in β ladder)trans-83.8-44.3-172-61.2130.6000112.9Y357 P397 G413 H415Y357-W399 WeakPolarHBondContact CB-O 3.17Å; Y357-W399 HydrophobicContact CD1-CE3 4.25Å; Y357-W399 HydrophobicContact CD1-CZ3 4.21Å; Y357-W399 AromaticContact CD2-CE3 3.71Å; Y357-W399 HydrophobicContact CD2-CE3 3.71Å; Y357-W399 AromaticContact CD2-CZ3 3.84Å; Y357-W399 HydrophobicContact CD2-CZ3 3.84Å; Y357-W399 HydrophobicContact CE1-CE3 4.35Å; Y357-W399 AromaticContact CE1-CZ3 3.84Å; Y357-W399 HydrophobicContact CE1-CZ3 3.84Å; Y357-W399 AromaticContact CE2-CE3 3.81Å; Y357-W399 HydrophobicContact CE2-CE3 3.81Å; Y357-W399 HydrophobicContact CE2-CH2 4.34Å; Y357-W399 AromaticContact CE2-CZ3 3.43Å; Y357-W399 HydrophobicContact CE2-CZ3 3.43Å; Y357-W399 VanDerWaalsContact CE2-CZ3 3.43Å; Y357-W399 AromaticContact CG-CE3 3.95Å; Y357-W399 HydrophobicContact CG-CE3 3.95Å; Y357-W399 HydrophobicContact CG-CZ3 4.22Å; Y357-W399 AromaticContact CZ-CZ3 3.46Å; Y357-W399 VanDerWaalsContact CZ-CZ3 3.46Å; P397-W399 HydrophobicContact CB-CH2 4.2Å; P397-W399 HydrophobicContact CB-CZ2 4.22Å; P397-W399 HydrophobicContact CB-CZ3 4.47Å; W399-G413 PolarHBondContact N-O 2.82Å; W399-H415 HydrophobicContact CZ2-CB 4.01Å; W399-H415 AromaticContact CZ2-ND1 3.97Å
400D96.8Very high91Very high9 Ų928.9 Ų28.95%0.04816%0.161CC..EExtended strand (participates in β ladder)trans-141154.7-172.6-165.926.2000111.4R358 S412 G413 D441 C442 V443R358-D400 WeakPolarHBondContact CD-OD1 3.04Å; R358-D400 VanDerWaalsContact CG-OD1 3.26Å; R358-D400 WeakPolarHBondContact CG-OD1 3.31Å; R358-D400 IonicContact CZ-OD1 3.48Å; R358-D400 IonicContact NE-OD1 3.99Å; R358-D400 IonicContact NH1-OD1 2.89Å; D400-S412 WeakPolarHBondContact O-CA 3.49Å; D400-G413 PolarHBondContact N-O 2.95Å; D400-G413 PolarHBondContact O-N 3.16Å; D400-D441 WeakPolarHBondContact CB-O 3.06Å; D400-C442 WeakPolarHBondContact OD2-CA 3.17Å; D400-V443 PolarHBondContact OD2-N 3.48Å
401L96.2Very high91.3Very high0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-144.4146.9178.176.993.4000110R358 A360 L369 C371 A411R358-L401 HydrophobicContact CB-CD2 4.03Å; R358-L401 HydrophobicContact CB-CG 4.08Å; R358-L401 HydrophobicContact CG-CD2 4.22Å; R358-L401 HydrophobicContact CG-CG 3.8Å; R358-L401 WeakPolarHBondContact O-CD2 3.2Å; A360-L401 HydrophobicContact CB-CD1 3.26Å; A360-L401 HydrophobicContact CB-CG 4.33Å; L369-L401 HydrophobicContact CB-CD1 3.74Å; L369-L401 HydrophobicContact CB-CD2 4.31Å; L369-L401 HydrophobicContact CD1-CD1 4.31Å; C371-L401 HydrophobicContact CB-CD2 3.64Å; L401-A411 VanDerWaalsContact CA-O 3.29Å; L401-A411 WeakPolarHBondContact CA-O 3.3Å
402D96Very high91.6Very high24 Ų2428 Ų2813%0.12816%0.156CC..EExtended strand (participates in β ladder)trans-142.2144.1174.7-160.952.3000110.5F410 A411 V443 K444 F445D402-F410 CarbonylContact O-C 3.59Å; D402-F410 VanDerWaalsContact O-CA 3.28Å; D402-F410 WeakPolarHBondContact O-CA 3.46Å; D402-F410 WeakPolarHBondContact O-CB 3.49Å; D402-A411 PolarHBondContact N-O 3.15Å; D402-A411 PolarHBondContact O-N 2.85Å; D402-V443 WeakPolarHBondContact CB-O 3.31Å; D402-K444 HydrophobicContact CB-CD 4.15Å; D402-K444 VanDerWaalsContact CG-CD 3.43Å; D402-K444 WeakPolarHBondContact OD1-CD 3.31Å; D402-K444 IonicContact OD1-NZ 2.82Å; D402-K444 PolarHBondContact OD1-NZ 3.47Å; D402-K444 WeakPolarHBondContact OD2-CA 3.19Å; D402-K444 WeakPolarHBondContact OD2-CD 3.32Å; D402-F445 HydrophobicContact CB-CD2 4.22Å; D402-F445 WeakPolarHBondContact O-CE2 3.22Å; D402-F445 PolarHBondContact OD2-N 2.93Å
403I93.3Very high92Very high14 Ų1422 Ų227%0.07213%0.129CC..EExtended strand (participates in β ladder)trans-101.7136.1179-66.9160.2000108.1A360 F361 L362 L369 F410 F424A360-I403 HydrophobicContact CB-CD1 3.84Å; A360-I403 HydrophobicContact CB-CG1 4.32Å; A360-I403 VanDerWaalsContact O-CD1 3.32Å; A360-I403 WeakPolarHBondContact O-CD1 3.41Å; F361-I403 WeakPolarHBondContact O-CD1 3.25Å; L362-I403 HydrophobicContact CD2-CD1 4.15Å; L362-I403 HydrophobicContact CD2-CG2 4.1Å; L369-I403 HydrophobicContact CB-CD1 4.37Å; L369-I403 HydrophobicContact CD1-CD1 3.93Å; L369-I403 HydrophobicContact CD1-CG1 3.69Å; L369-I403 HydrophobicContact CG-CD1 4.19Å; L369-I403 HydrophobicContact CG-CG1 4.49Å; I403-F410 HydrophobicContact CG1-CB 4.13Å; I403-F424 HydrophobicContact CG2-CZ 4.46Å
404S89.9Confident92.5Very high0 Ų020.6 Ų20.60%011%0.114CC..  trans-58.5142175.3-176.20000110.5C406 S407 Y409 S449S404-C406 PolarHBondContact O-N 2.94Å; S404-C406 PolarHBondContact OG-SG 3.39Å; S404-S407 WeakPolarHBondContact O-CA 3.47Å; S404-S407 PolarHBondContact O-N 3.11Å; S404-Y409 WeakPolarHBondContact CB-O 3.27Å; S404-Y409 PolarHBondContact N-O 3.47Å; S404-S449 WeakPolarHBondContact OG-CB 3.31Å; S404-S449 PolarHBondContact OG-OG 3.37Å
405P83.5Confident92.7Very high55 Ų5523.5 Ų23.536%0.35713%0.127SC..THydrogen-bonded Turntrans-54.8-20.1175.5-2733.8000114.8T363T363-P405 WeakPolarHBondContact CG2-O 3.32Å
406C77.4Confident92.9Very high0 Ų022.1 Ų22.10%011%0.106CC..THydrogen-bonded Turntrans-90.3-2173.762.10000114.8I56 L175 Q179 S404 L408I56-C406 HydrophobicContact CG2-CB 3.8Å; L175-C406 HydrophobicContact CD2-CB 4.06Å; Q179-C406 PolarHBondContact NE2-O 3.33Å; S404-C406 PolarHBondContact O-N 2.94Å; S404-C406 PolarHBondContact OG-SG 3.39Å; C406-L408 HydrophobicContact CB-CD1 4.26Å; C406-L408 HydrophobicContact CB-CG 4.18Å; C406-L408 PolarHBondContact O-N 2.75Å
407S84.6Confident92.9Very high9 Ų922.5 Ų22.56%0.06311%0.106CC..SBendtrans50.624.9-174.2-650000115T363 S404 F424T363-S407 WeakPolarHBondContact CB-OG 3.38Å; T363-S407 WeakPolarHBondContact CG2-OG 3.38Å; T363-S407 PolarHBondContact N-OG 2.77Å; T363-S407 VanDerWaalsContact N-OG 3.11Å; T363-S407 PolarHBondContact OG1-OG 3.44Å; S404-S407 WeakPolarHBondContact O-CA 3.47Å; S404-S407 PolarHBondContact O-N 3.11Å; S407-F424 VanDerWaalsContact O-CE2 3.24Å; S407-F424 WeakPolarHBondContact O-CE2 3.41Å
408L82.9Confident92.8Very high13 Ų1322 Ų227%0.06810%0.103CC..SBendtrans-91.1-27.2174.9-63.8175.8000112.6V57 L178 Q179 C406V57-L408 HydrophobicContact CG1-CD1 4.09Å; L178-L408 HydrophobicContact CB-CD1 4.49Å; L178-L408 HydrophobicContact CB-CD2 4.02Å; L178-L408 WeakPolarHBondContact O-CD2 3.43Å; Q179-L408 HydrophobicContact CB-CD2 4.43Å; Q179-L408 HydrophobicContact CG-CD2 3.76Å; C406-L408 HydrophobicContact CB-CD1 4.26Å; C406-L408 HydrophobicContact CB-CG 4.18Å; C406-L408 PolarHBondContact O-N 2.75Å
409Y88.4Confident92.7Very high12 Ų1222 Ų225%0.04710%0.103CC..EExtended strand (participates in β ladder)trans-136.9160.3-176.8-50.4-81.8000109.9S58 A59 S404 W422 T423 L430S58-Y409 WeakPolarHBondContact O-CE2 3.49Å; S58-Y409 PolarHBondContact O-OH 3.03Å; A59-Y409 WeakPolarHBondContact CA-OH 3.33Å; S404-Y409 WeakPolarHBondContact CB-O 3.27Å; S404-Y409 PolarHBondContact N-O 3.47Å; Y409-W422 VanDerWaalsContact CA-O 3.31Å; Y409-W422 WeakPolarHBondContact CA-O 3.48Å; Y409-W422 WeakPolarHBondContact CB-O 3.18Å; Y409-T423 VanDerWaalsContact CD1-OG1 3.29Å; Y409-T423 WeakPolarHBondContact CD1-OG1 3.47Å; Y409-T423 WeakPolarHBondContact CE1-OG1 3.19Å; Y409-L430 HydrophobicContact CD1-CD1 3.85Å; Y409-L430 HydrophobicContact CE1-CD1 3.92Å
410F94.6Very high92.6Very high0 Ų020.2 Ų20.20%010%0.096CC..EExtended strand (participates in β ladder)trans-136.8161.4165.268.2-88.8000109.4L369 I377 Y391 D402 I403 W422 F424L369-F410 HydrophobicContact CD1-CB 3.56Å; L369-F410 HydrophobicContact CD1-CD1 3.75Å; L369-F410 HydrophobicContact CD1-CD2 3.74Å; L369-F410 HydrophobicContact CD1-CE1 4.33Å; L369-F410 HydrophobicContact CD1-CE2 4.32Å; L369-F410 HydrophobicContact CD1-CG 3.41Å; L369-F410 VanDerWaalsContact CD1-CG 3.41Å; I377-F410 HydrophobicContact CD1-CE2 3.95Å; I377-F410 HydrophobicContact CG2-CE2 4.01Å; Y391-F410 HydrophobicContact CD1-CE1 4.25Å; Y391-F410 AromaticContact CD1-CZ 3.8Å; Y391-F410 HydrophobicContact CD1-CZ 3.8Å; Y391-F410 HydrophobicContact CD2-CE1 4.35Å; Y391-F410 AromaticContact CD2-CZ 3.71Å; Y391-F410 HydrophobicContact CD2-CZ 3.71Å; Y391-F410 AromaticContact CE1-CE1 3.88Å; Y391-F410 HydrophobicContact CE1-CE1 3.88Å; Y391-F410 AromaticContact CE1-CZ 3.91Å; Y391-F410 HydrophobicContact CE1-CZ 3.91Å; Y391-F410 HydrophobicContact CE2-CE1 4.01Å; Y391-F410 AromaticContact CE2-CZ 3.84Å; Y391-F410 HydrophobicContact CE2-CZ 3.84Å; Y391-F410 HydrophobicContact CG-CE1 4.48Å; Y391-F410 AromaticContact CG-CZ 3.71Å; Y391-F410 HydrophobicContact CG-CZ 3.71Å; Y391-F410 AromaticContact CZ-CE1 3.78Å; Y391-F410 AromaticContact CZ-CZ 3.95Å; D402-F410 CarbonylContact O-C 3.59Å; D402-F410 VanDerWaalsContact O-CA 3.28Å; D402-F410 WeakPolarHBondContact O-CA 3.46Å; D402-F410 WeakPolarHBondContact O-CB 3.49Å; I403-F410 HydrophobicContact CG1-CB 4.13Å; F410-W422 HydrophobicContact CD1-CB 3.8Å; F410-W422 HydrophobicContact CD2-CB 3.87Å; F410-W422 AromaticContact CD2-CD1 3.7Å; F410-W422 AromaticContact CD2-CG 3.99Å; F410-W422 HydrophobicContact CD2-CG 3.99Å; F410-W422 HydrophobicContact CE1-CB 3.36Å; F410-W422 HydrophobicContact CE1-CG 4.19Å; F410-W422 HydrophobicContact CE2-CB 3.43Å; F410-W422 VanDerWaalsContact CE2-CB 3.43Å; F410-W422 AromaticContact CE2-CD1 3.35Å; F410-W422 HydrophobicContact CE2-CD2 4.08Å; F410-W422 AromaticContact CE2-CG 3.35Å; F410-W422 HydrophobicContact CE2-CG 3.35Å; F410-W422 HydrophobicContact CG-CB 4.05Å; F410-W422 HydrophobicContact CZ-CB 3.16Å; F410-W422 AromaticContact CZ-CD1 3.98Å; F410-W422 HydrophobicContact CZ-CD2 4.09Å; F410-W422 AromaticContact CZ-CG 3.48Å; F410-W422 HydrophobicContact CZ-CG 3.48Å; F410-W422 VanDerWaalsContact CZ-CG 3.48Å; F410-W422 PolarHBondContact N-O 3.48Å; F410-W422 PolarHBondContact O-N 3.2Å; F410-F424 HydrophobicContact CB-CZ 4.31Å; F410-F424 HydrophobicContact CD1-CD1 4.15Å; F410-F424 AromaticContact CD1-CE1 3.78Å; F410-F424 HydrophobicContact CD1-CE1 3.78Å; F410-F424 HydrophobicContact CD1-CE2 4.24Å; F410-F424 AromaticContact CD1-CZ 3.82Å; F410-F424 HydrophobicContact CD1-CZ 3.82Å; F410-F424 HydrophobicContact CE1-CD1 4.26Å; F410-F424 HydrophobicContact CE1-CE1 4.26Å; F410-F424 HydrophobicContact CG-CZ 4.49Å
411A96.4Very high92.5Very high0 Ų019.8 Ų19.80%09%0.094CC..EExtended strand (participates in β ladder)trans-128.9152178.500000110L401 D402 R420 V443 F445 L452L401-A411 VanDerWaalsContact CA-O 3.29Å; L401-A411 WeakPolarHBondContact CA-O 3.3Å; D402-A411 PolarHBondContact N-O 3.15Å; D402-A411 PolarHBondContact O-N 2.85Å; A411-R420 CarbonylContact C-O 3.56Å; A411-R420 WeakPolarHBondContact CA-O 3.27Å; A411-R420 WeakPolarHBondContact CB-O 3.48Å; A411-V443 HydrophobicContact CB-CG1 3.7Å; A411-F445 HydrophobicContact CB-CD2 4.46Å; A411-F445 HydrophobicContact CB-CE2 3.52Å; A411-F445 HydrophobicContact CB-CZ 3.66Å; A411-L452 HydrophobicContact CB-CD1 3.6Å; A411-L452 HydrophobicContact CB-CD2 3.8Å; A411-L452 HydrophobicContact CB-CG 4.37Å
412S97.3Very high92.3Very high0 Ų019.9 Ų19.90%09%0.094CC..EExtended strand (participates in β ladder)trans-132.6145.3179.4590000111.1I377 H394 D400 A419 R420 W422I377-S412 VanDerWaalsContact CD1-CB 3.42Å; H394-S412 PolarHBondContact NE2-OG 3.09Å; D400-S412 WeakPolarHBondContact O-CA 3.49Å; S412-A419 CarbonylContact O-C 3.57Å; S412-A419 WeakPolarHBondContact O-CA 3.33Å; S412-A419 WeakPolarHBondContact O-CB 3.37Å; S412-R420 PolarHBondContact N-O 2.95Å; S412-R420 PolarHBondContact O-N 3.4Å; S412-W422 PolarHBondContact OG-NE1 3.34Å
413G97.1Very high91.8Very high0 Ų019.8 Ų19.80%010%0.095CC..EExtended strand (participates in β ladder)trans-113.7138.8171.300000110.4V398 W399 D400 V440V398-G413 CarbonylContact C-O 3.51Å; V398-G413 WeakPolarHBondContact CG1-O 3.24Å; W399-G413 PolarHBondContact N-O 2.82Å; D400-G413 PolarHBondContact N-O 2.95Å; D400-G413 PolarHBondContact O-N 3.16Å; G413-V440 CarbonylContact C-O 3.59Å
414S97.5Very high91.4Very high0 Ų021 Ų210%010%0.1CC..EExtended strand (participates in β ladder)trans-136.6161-174.11750000112.4H394 Y396 P397 D416 R417 T418 V440H394-S414 WeakPolarHBondContact CE1-CB 3.37Å; H394-S414 WeakPolarHBondContact ND1-CB 3.27Å; H394-S414 PolarHBondContact ND1-OG 2.81Å; Y396-S414 PolarHBondContact O-OG 3.43Å; P397-S414 WeakPolarHBondContact O-CA 3.43Å; P397-S414 WeakPolarHBondContact O-CB 3.37Å; P397-S414 PolarHBondContact O-OG 2.88Å; S414-D416 WeakPolarHBondContact CB-OD1 3.37Å; S414-D416 PolarHBondContact O-N 2.9Å; S414-D416 PolarHBondContact OG-N 3.2Å; S414-R417 PolarHBondContact O-N 2.73Å; S414-T418 PolarHBondContact N-O 3.27Å; S414-V440 PolarHBondContact N-O 3.35Å; S414-V440 PolarHBondContact O-N 3.25Å; S414-V440 VanDerWaalsContact O-N 3.08Å
415H96.9Very high90.8Very high70 Ų7022.8 Ų22.832%0.32411%0.112SC..THydrogen-bonded Turntrans-57.3-19.6167.4-175.781.2000113.1Y396 P397 W399 R417 D439Y396-H415 AromaticContact CD1-CD2 3.55Å; P397-H415 HydrophobicContact CB-CB 4.49Å; P397-H415 PolarHBondContact O-N 2.85Å; W399-H415 HydrophobicContact CZ2-CB 4.01Å; W399-H415 AromaticContact CZ2-ND1 3.97Å; H415-R417 PolarHBondContact O-N 2.96Å; H415-D439 IonicContact CE1-OD1 3.96Å; H415-D439 IonicContact CE1-OD2 2.7Å; H415-D439 PolarHBondContact CE1-OD2 3.25Å; H415-D439 IonicContact CG-OD2 3.73Å; H415-D439 VanDerWaalsContact ND1-CG 3.29Å; H415-D439 IonicContact ND1-OD1 3.21Å; H415-D439 IonicContact ND1-OD2 3.74Å; H415-D439 PolarHBondContact ND1-OD2 3.23Å
416D94.8Very high90.7Very high31 Ų3122.8 Ų22.817%0.16611%0.105CC..THydrogen-bonded Turntrans-69.46.2174.6764000114.6H394 Y396 S414 T418 R420H394-D416 IonicContact CE1-OD1 2.78Å; H394-D416 IonicContact CE1-OD2 3.22Å; H394-D416 IonicContact CG-OD2 3.26Å; H394-D416 IonicContact ND1-OD1 2.87Å; H394-D416 PolarHBondContact ND1-OD1 3.39Å; H394-D416 IonicContact ND1-OD2 3.89Å; H394-D416 PolarHBondContact ND1-OD2 3.17Å; Y396-D416 HydrophobicContact CD2-CB 3.66Å; Y396-D416 HydrophobicContact CE2-CB 4.49Å; Y396-D416 HydrophobicContact CG-CB 4.27Å; S414-D416 WeakPolarHBondContact CB-OD1 3.37Å; S414-D416 PolarHBondContact O-N 2.9Å; S414-D416 PolarHBondContact OG-N 3.2Å; D416-T418 PolarHBondContact O-N 3.11Å; D416-T418 WeakPolarHBondContact OD1-CA 3.38Å; D416-T418 WeakPolarHBondContact OD1-CB 3.25Å; D416-T418 PolarHBondContact OD1-N 2.99Å; D416-T418 PolarHBondContact OD1-OG1 3.48Å; D416-T418 PolarHBondContact OD2-OG1 3.11Å; D416-R420 IonicContact OD2-CZ 2.8Å; D416-R420 IonicContact OD2-NE 3.46Å; D416-R420 IonicContact OD2-NH2 2.82Å; D416-R420 PolarHBondContact OD2-NH2 3.42Å
417R95.4Very high90.9Very high138 Ų13825 Ų2552%0.52112%0.12SC..SBendtrans68.313.8179.2-43.1-178.5-175.8166.15.9113.8S414 H415 L437 S438S414-R417 PolarHBondContact O-N 2.73Å; H415-R417 PolarHBondContact O-N 2.96Å; R417-L437 WeakPolarHBondContact CD-O 3.26Å; R417-S438 WeakPolarHBondContact CA-O 3.44Å; R417-S438 VanDerWaalsContact CB-O 3.29Å; R417-S438 WeakPolarHBondContact CB-O 3.42Å
418T94.8Very high90.8Very high15 Ų1530.7 Ų30.79%0.09214%0.141CC..EExtended strand (participates in β ladder)trans-119.3147.117975.60000110.6S414 D416 L432 V434S414-T418 PolarHBondContact N-O 3.27Å; D416-T418 PolarHBondContact O-N 3.11Å; D416-T418 WeakPolarHBondContact OD1-CA 3.38Å; D416-T418 WeakPolarHBondContact OD1-CB 3.25Å; D416-T418 PolarHBondContact OD1-N 2.99Å; D416-T418 PolarHBondContact OD1-OG1 3.48Å; D416-T418 PolarHBondContact OD2-OG1 3.11Å; T418-L432 HydrophobicContact CG2-CD1 3.89Å; T418-L432 HydrophobicContact CG2-CD2 4.49Å; T418-L432 HydrophobicContact CG2-CG 4.29Å; T418-L432 VanDerWaalsContact OG1-CD1 3.3Å; T418-L432 WeakPolarHBondContact OG1-CD1 2.99Å; T418-V434 HydrophobicContact CG2-CG2 4.13Å
419A96.4Very high91Very high1 Ų131.6 Ų31.61%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-100.4151.8159.300000109.3S412 Y433 V440 V443 T454S412-A419 CarbonylContact O-C 3.57Å; S412-A419 WeakPolarHBondContact O-CA 3.33Å; S412-A419 WeakPolarHBondContact O-CB 3.37Å; A419-Y433 HydrophobicContact CB-CD2 4.01Å; A419-Y433 PolarHBondContact N-O 3.38Å; A419-Y433 WeakPolarHBondContact O-CD2 3.45Å; A419-Y433 PolarHBondContact O-N 2.92Å; A419-V440 HydrophobicContact CB-CG1 4.33Å; A419-V443 HydrophobicContact CB-CG2 4.31Å; A419-T454 HydrophobicContact CB-CG2 3.54Å
420R94.9Very high90.9Very high34 Ų3432.8 Ų32.813%0.12816%0.155CC..EExtended strand (participates in β ladder)trans-130.3145.2-180-67.1-178.4-166.1-160.515.1111.5G393 H394 A411 S412 D416 W422 P429 R431 L432G393-R420 PolarHBondContact O-NH1 2.84Å; G393-R420 PolarHBondContact O-NH2 2.7Å; H394-R420 WeakPolarHBondContact CE1-CD 3.24Å; H394-R420 PolarHBondContact CE1-NE 2.92Å; H394-R420 VanDerWaalsContact CE1-NE 3.27Å; H394-R420 PolarHBondContact ND1-NE 3.16Å; H394-R420 WeakPolarHBondContact NE2-CD 3.26Å; A411-R420 CarbonylContact C-O 3.56Å; A411-R420 WeakPolarHBondContact CA-O 3.27Å; A411-R420 WeakPolarHBondContact CB-O 3.48Å; S412-R420 PolarHBondContact N-O 2.95Å; S412-R420 PolarHBondContact O-N 3.4Å; D416-R420 IonicContact OD2-CZ 2.8Å; D416-R420 IonicContact OD2-NE 3.46Å; D416-R420 IonicContact OD2-NH2 2.82Å; D416-R420 PolarHBondContact OD2-NH2 3.42Å; R420-W422 HydrophobicContact CB-CZ2 4.04Å; R420-P429 HydrophobicContact CB-CB 4.09Å; R420-P429 HydrophobicContact CG-CB 4.35Å; R420-R431 VanDerWaalsContact CA-O 3.29Å; R420-R431 WeakPolarHBondContact CA-O 3.28Å; R420-L432 HydrophobicContact CG-CD1 3.51Å
421L93.7Very high90.5Very high0 Ų035.1 Ų35.10%016%0.164CC..EExtended strand (participates in β ladder)trans-103136.3172.4-173.867.4000109.3A60 P429 L430 R431 Y433 F445A60-L421 HydrophobicContact CB-CD2 4.43Å; L421-P429 CarbonylContact O-C 3.51Å; L421-L430 HydrophobicContact CD2-CD1 4.46Å; L421-L430 HydrophobicContact CG-CD1 4.43Å; L421-L430 WeakPolarHBondContact O-CB 3.44Å; L421-L430 PolarHBondContact O-N 3.34Å; L421-R431 HydrophobicContact CB-CB 3.83Å; L421-R431 HydrophobicContact CD2-CB 4.46Å; L421-R431 PolarHBondContact N-O 3.41Å; L421-R431 PolarHBondContact O-N 3.16Å; L421-Y433 HydrophobicContact CB-CE2 3.93Å; L421-F445 HydrophobicContact CD1-CE1 3.93Å; L421-F445 HydrophobicContact CD1-CZ 3.58Å
422W91.6Very high90.2Very high1 Ų138.9 Ų38.90%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-131.5160.7-176.1-53.286.8000111.1I377 Y391 Y409 F410 S412 R420 Y428 P429I377-W422 HydrophobicContact CD1-CZ2 4.3Å; Y391-W422 HydrophobicContact CD1-CE3 4.12Å; Y391-W422 HydrophobicContact CG-CE3 4.45Å; Y409-W422 VanDerWaalsContact CA-O 3.31Å; Y409-W422 WeakPolarHBondContact CA-O 3.48Å; Y409-W422 WeakPolarHBondContact CB-O 3.18Å; F410-W422 HydrophobicContact CD1-CB 3.8Å; F410-W422 HydrophobicContact CD2-CB 3.87Å; F410-W422 AromaticContact CD2-CD1 3.7Å; F410-W422 AromaticContact CD2-CG 3.99Å; F410-W422 HydrophobicContact CD2-CG 3.99Å; F410-W422 HydrophobicContact CE1-CB 3.36Å; F410-W422 HydrophobicContact CE1-CG 4.19Å; F410-W422 HydrophobicContact CE2-CB 3.43Å; F410-W422 VanDerWaalsContact CE2-CB 3.43Å; F410-W422 AromaticContact CE2-CD1 3.35Å; F410-W422 HydrophobicContact CE2-CD2 4.08Å; F410-W422 AromaticContact CE2-CG 3.35Å; F410-W422 HydrophobicContact CE2-CG 3.35Å; F410-W422 HydrophobicContact CG-CB 4.05Å; F410-W422 HydrophobicContact CZ-CB 3.16Å; F410-W422 AromaticContact CZ-CD1 3.98Å; F410-W422 HydrophobicContact CZ-CD2 4.09Å; F410-W422 AromaticContact CZ-CG 3.48Å; F410-W422 HydrophobicContact CZ-CG 3.48Å; F410-W422 VanDerWaalsContact CZ-CG 3.48Å; F410-W422 PolarHBondContact N-O 3.48Å; F410-W422 PolarHBondContact O-N 3.2Å; S412-W422 PolarHBondContact OG-NE1 3.34Å; R420-W422 HydrophobicContact CB-CZ2 4.04Å; W422-Y428 VanDerWaalsContact CZ3-C 3.46Å; W422-P429 HydrophobicContact CD2-CB 4.03Å; W422-P429 HydrophobicContact CE3-CB 3.98Å; W422-P429 HydrophobicContact CH2-CB 3.99Å; W422-P429 HydrophobicContact CH2-CG 4.12Å; W422-P429 HydrophobicContact CZ2-CB 4.02Å; W422-P429 HydrophobicContact CZ2-CG 4.48Å; W422-P429 HydrophobicContact CZ3-CB 3.97Å; W422-P429 VanDerWaalsContact CZ3-CD 3.43Å; W422-P429 HydrophobicContact CZ3-CG 4.24Å; W422-P429 VanDerWaalsContact CZ3-N 3.27Å
423T86.8Confident90.1Very high23 Ų2339 Ų3914%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-123.4147.4168.1-64.60000108.3Y409 S425 R426 L430Y409-T423 VanDerWaalsContact CD1-OG1 3.29Å; Y409-T423 WeakPolarHBondContact CD1-OG1 3.47Å; Y409-T423 WeakPolarHBondContact CE1-OG1 3.19Å; T423-S425 WeakPolarHBondContact CG2-OG 3.23Å; T423-S425 PolarHBondContact O-N 3.4Å; T423-R426 PolarHBondContact O-N 3.37Å; T423-R426 VanDerWaalsContact O-N 3.12Å; T423-R426 VanDerWaalsContact O-O 3.1Å; T423-L430 WeakPolarHBondContact OG1-CD1 3.26Å
424F84.6Confident89.9Confident40 Ų4043.5 Ų43.518%0.17521%0.211CC..THydrogen-bonded Turntrans-62.5-25-178.5-64.2-81.1000114.4L362 L369 Y379 Y391 I403 S407 F410L362-F424 HydrophobicContact CD2-CE1 3.86Å; L362-F424 HydrophobicContact CD2-CE2 4.11Å; L362-F424 HydrophobicContact CD2-CZ 3.44Å; L362-F424 VanDerWaalsContact CD2-CZ 3.44Å; L369-F424 HydrophobicContact CD1-CE1 3.86Å; L369-F424 HydrophobicContact CD1-CZ 4.16Å; L369-F424 HydrophobicContact CD2-CE1 4.08Å; L369-F424 HydrophobicContact CG-CE1 4.09Å; Y379-F424 AromaticContact CD2-CD1 3.97Å; Y379-F424 HydrophobicContact CD2-CD1 3.97Å; Y379-F424 AromaticContact CD2-CE1 3.97Å; Y379-F424 HydrophobicContact CD2-CE1 3.97Å; Y379-F424 HydrophobicContact CE2-CD1 4.25Å; Y379-F424 HydrophobicContact CE2-CE1 4.25Å; Y391-F424 VanDerWaalsContact OH-CA 3.26Å; Y391-F424 WeakPolarHBondContact OH-CA 3.31Å; Y391-F424 PolarHBondContact OH-O 3.1Å; I403-F424 HydrophobicContact CG2-CZ 4.46Å; S407-F424 VanDerWaalsContact O-CE2 3.24Å; S407-F424 WeakPolarHBondContact O-CE2 3.41Å; F410-F424 HydrophobicContact CB-CZ 4.31Å; F410-F424 HydrophobicContact CD1-CD1 4.15Å; F410-F424 AromaticContact CD1-CE1 3.78Å; F410-F424 HydrophobicContact CD1-CE1 3.78Å; F410-F424 HydrophobicContact CD1-CE2 4.24Å; F410-F424 AromaticContact CD1-CZ 3.82Å; F410-F424 HydrophobicContact CD1-CZ 3.82Å; F410-F424 HydrophobicContact CE1-CD1 4.26Å; F410-F424 HydrophobicContact CE1-CE1 4.26Å; F410-F424 HydrophobicContact CG-CZ 4.49Å
425S78Confident89.5Confident36 Ų3644.5 Ų44.525%0.25222%0.222SC..THydrogen-bonded Turntrans-84.1-7.4178.259.60000114.6Y324 T423Y324-S425 WeakPolarHBondContact CE1-O 3.49Å; T423-S425 WeakPolarHBondContact CG2-OG 3.23Å; T423-S425 PolarHBondContact O-N 3.4Å
426R80.2Confident89.4Confident55 Ų5541.9 Ų41.921%0.20821%0.21CC..  trans-126127.9-174.9-61.8-173.1-173.4-170.83.9111.2Y391 T423 Y428Y391-R426 VanDerWaalsContact CD1-O 3.25Å; Y391-R426 WeakPolarHBondContact CD1-O 3.15Å; Y391-R426 VanDerWaalsContact CE1-O 3.22Å; Y391-R426 WeakPolarHBondContact CE1-O 3.5Å; T423-R426 PolarHBondContact O-N 3.37Å; T423-R426 VanDerWaalsContact O-N 3.12Å; T423-R426 VanDerWaalsContact O-O 3.1Å; R426-Y428 VanDerWaalsContact C-N 3.27Å; R426-Y428 PolarHBondContact O-N 3.28Å
427S81.5Confident89.4Confident46 Ų4646.6 Ų46.632%0.32223%0.234SC..SBendtrans-75.2-11.1179.756.70000114.7Q392Q392-S427 PolarHBondContact N-O 3.01Å
428Y82.3Confident89.5Confident129 Ų12941.9 Ų41.951%0.50622%0.222SC..SBendtrans-116.2155.6179.761.4-94.3000111.3W422 R426W422-Y428 VanDerWaalsContact CZ3-C 3.46Å; R426-Y428 VanDerWaalsContact C-N 3.27Å; R426-Y428 PolarHBondContact O-N 3.28Å
429P88.3Confident89.6Confident33 Ų3342.6 Ų42.621%0.21423%0.225CC..  trans-71.2140.6-17429.7-35.5000111.2R420 L421 W422R420-P429 HydrophobicContact CB-CB 4.09Å; R420-P429 HydrophobicContact CG-CB 4.35Å; L421-P429 CarbonylContact O-C 3.51Å; W422-P429 HydrophobicContact CD2-CB 4.03Å; W422-P429 HydrophobicContact CE3-CB 3.98Å; W422-P429 HydrophobicContact CH2-CB 3.99Å; W422-P429 HydrophobicContact CH2-CG 4.12Å; W422-P429 HydrophobicContact CZ2-CB 4.02Å; W422-P429 HydrophobicContact CZ2-CG 4.48Å; W422-P429 HydrophobicContact CZ3-CB 3.97Å; W422-P429 VanDerWaalsContact CZ3-CD 3.43Å; W422-P429 HydrophobicContact CZ3-CG 4.24Å; W422-P429 VanDerWaalsContact CZ3-N 3.27Å
430L85.2Confident89.7Confident37 Ų3742.5 Ų42.519%0.19423%0.225CC..SBendtrans-72-38.6171.7-68.7173000112.1A60 Y409 L421 T423A60-L430 HydrophobicContact CB-CB 3.93Å; A60-L430 HydrophobicContact CB-CD1 3.54Å; A60-L430 HydrophobicContact CB-CD2 4.26Å; A60-L430 HydrophobicContact CB-CG 4.15Å; Y409-L430 HydrophobicContact CD1-CD1 3.85Å; Y409-L430 HydrophobicContact CE1-CD1 3.92Å; L421-L430 HydrophobicContact CD2-CD1 4.46Å; L421-L430 HydrophobicContact CG-CD1 4.43Å; L421-L430 WeakPolarHBondContact O-CB 3.44Å; L421-L430 PolarHBondContact O-N 3.34Å; T423-L430 WeakPolarHBondContact OG1-CD1 3.26Å
431R86.9Confident89.8Confident49 Ų4942.3 Ų42.319%0.18523%0.227CC..EExtended strand (participates in β ladder)trans-143146.3-174.8-165.182.680.5156.18.2110.8P61 R420 L421 Y433 T466 Q467 Q468P61-R431 VanDerWaalsContact CD-NH2 3.31Å; R420-R431 VanDerWaalsContact CA-O 3.29Å; R420-R431 WeakPolarHBondContact CA-O 3.28Å; L421-R431 HydrophobicContact CB-CB 3.83Å; L421-R431 HydrophobicContact CD2-CB 4.46Å; L421-R431 PolarHBondContact N-O 3.41Å; L421-R431 PolarHBondContact O-N 3.16Å; R431-Y433 HydrophobicContact CG-CD1 4.44Å; R431-Y433 HydrophobicContact CG-CE1 4.06Å; R431-T466 PolarHBondContact NH2-O 3.4Å; R431-Q467 PolarHBondContact NH2-O 3.07Å; R431-Q468 VanDerWaalsContact CZ-C 3.44Å; R431-Q468 PolarHBondContact NH1-O 2.82Å; R431-Q468 VanDerWaalsContact NH2-C 3.28Å
432L90.8Very high89.9Confident79 Ų7942.4 Ų42.441%0.41423%0.227SC..EExtended strand (participates in β ladder)trans-110.6127.7166.9-168.668.8000109.8T418 R420 V434T418-L432 HydrophobicContact CG2-CD1 3.89Å; T418-L432 HydrophobicContact CG2-CD2 4.49Å; T418-L432 HydrophobicContact CG2-CG 4.29Å; T418-L432 VanDerWaalsContact OG1-CD1 3.3Å; T418-L432 WeakPolarHBondContact OG1-CD1 2.99Å; R420-L432 HydrophobicContact CG-CD1 3.51Å; L432-V434 HydrophobicContact CB-CG2 4.41Å; L432-V434 HydrophobicContact CD2-CG2 3.33Å; L432-V434 HydrophobicContact CG-CG2 3.48Å; L432-V434 VanDerWaalsContact CG-CG2 3.48Å
433Y93.8Very high90.2Very high1 Ų142.4 Ų42.40%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-100.799.6171.6-57-73.9000108.7A419 L421 R431 L452 W464 T466A419-Y433 HydrophobicContact CB-CD2 4.01Å; A419-Y433 PolarHBondContact N-O 3.38Å; A419-Y433 WeakPolarHBondContact O-CD2 3.45Å; A419-Y433 PolarHBondContact O-N 2.92Å; L421-Y433 HydrophobicContact CB-CE2 3.93Å; R431-Y433 HydrophobicContact CG-CD1 4.44Å; R431-Y433 HydrophobicContact CG-CE1 4.06Å; Y433-L452 HydrophobicContact CD2-CD2 3.73Å; Y433-L452 HydrophobicContact CE2-CD2 3.32Å; Y433-W464 HydrophobicContact CD1-CB 3.59Å; Y433-W464 AromaticContact CD1-CD2 3.69Å; Y433-W464 HydrophobicContact CD1-CD2 3.69Å; Y433-W464 AromaticContact CD1-CE3 3.72Å; Y433-W464 HydrophobicContact CD1-CE3 3.72Å; Y433-W464 AromaticContact CD1-CG 3.63Å; Y433-W464 HydrophobicContact CD1-CG 3.63Å; Y433-W464 HydrophobicContact CE1-CB 3.6Å; Y433-W464 HydrophobicContact CE1-CG 4.16Å; Y433-W464 HydrophobicContact CG-CB 4.36Å; Y433-W464 HydrophobicContact CG-CD2 4.06Å; Y433-W464 HydrophobicContact CG-CE3 4.34Å; Y433-W464 HydrophobicContact CG-CG 4.04Å; Y433-T466 WeakPolarHBondContact OH-CA 3.32Å
434V92.6Very high90.6Very high95 Ų9543 Ų4358%0.57623%0.228SC*.EExtended strand (participates in β ladder)trans-105.2129.2-180-172.90000109.3T418 L432 W464T418-V434 HydrophobicContact CG2-CG2 4.13Å; L432-V434 HydrophobicContact CB-CG2 4.41Å; L432-V434 HydrophobicContact CD2-CG2 3.33Å; L432-V434 HydrophobicContact CG-CG2 3.48Å; L432-V434 VanDerWaalsContact CG-CG2 3.48Å; V434-W464 WeakPolarHBondContact O-CH2 3.27Å
435G90.8Very high91.1Very high22 Ų2241.6 Ų41.623%0.22722%0.222CC..  trans167.3-20.3169.600000114.8R462G435-R462 PolarHBondContact O-NH1 2.83Å; G435-R462 PolarHBondContact O-NH2 3.19Å
436H95.1Very high91.7Very high14 Ų1440 Ų407%0.06521%0.21CC..  trans-62.5148.2170.7-78.5-67.6000111.4V440 T454 S456 D458 T460H436-V440 HydrophobicContact CB-CG2 4.32Å; H436-T454 PolarHBondContact CD2-OG1 2.93Å; H436-T454 PolarHBondContact NE2-OG1 2.97Å; H436-S456 WeakPolarHBondContact ND1-CB 3.32Å; H436-D458 WeakPolarHBondContact CA-OD2 3.47Å; H436-D458 IonicContact CE1-OD1 2.92Å; H436-D458 IonicContact CG-OD2 3.14Å; H436-D458 IonicContact ND1-OD1 3.61Å; H436-D458 PolarHBondContact ND1-OD1 3.04Å; H436-D458 IonicContact ND1-OD2 3.79Å; H436-D458 PolarHBondContact ND1-OD2 2.96Å; H436-T460 PolarHBondContact CE1-OG1 3.21Å; H436-T460 PolarHBondContact ND1-OG1 2.97Å
437L94.6Very high91.9Very high130 Ų13039.2 Ų39.268%0.68121%0.212SC*.SBendtrans-88.3-18.8-178.6-62.2176000112.6R417 D458R417-L437 WeakPolarHBondContact CD-O 3.26Å; L437-D458 HydrophobicContact CB-CB 3.98Å; L437-D458 PolarHBondContact N-OD2 3.05Å
438S96.8Very high91.8Very high39 Ų3937.1 Ų37.127%0.27320%0.197SC..SBendtrans-139.4-174.5179.9-57.80000109.9R417 S456R417-S438 WeakPolarHBondContact CA-O 3.44Å; R417-S438 VanDerWaalsContact CB-O 3.29Å; R417-S438 WeakPolarHBondContact CB-O 3.42Å; S438-S456 PolarHBondContact O-OG 3.14Å
439D96.8Very high91.9Very high30 Ų3031 Ų3116%0.1617%0.173CC..  trans-52.3147.7-175.8-515.3000112.6H415 S456 T457H415-D439 IonicContact CE1-OD1 3.96Å; H415-D439 IonicContact CE1-OD2 2.7Å; H415-D439 PolarHBondContact CE1-OD2 3.25Å; H415-D439 IonicContact CG-OD2 3.73Å; H415-D439 VanDerWaalsContact ND1-CG 3.29Å; H415-D439 IonicContact ND1-OD1 3.21Å; H415-D439 IonicContact ND1-OD2 3.74Å; H415-D439 PolarHBondContact ND1-OD2 3.23Å; D439-S456 WeakPolarHBondContact O-CA 3.41Å; D439-S456 WeakPolarHBondContact O-CB 3.49Å; D439-S456 PolarHBondContact O-OG 3.32Å; D439-T457 PolarHBondContact O-N 3.31Å; D439-T457 VanDerWaalsContact O-N 3.16Å
440V97.8Very high91.6Very high0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-97.8102.3173.8-179.10000108.3G413 S414 A419 H436 V443 T454G413-V440 CarbonylContact C-O 3.59Å; S414-V440 PolarHBondContact N-O 3.35Å; S414-V440 PolarHBondContact O-N 3.25Å; S414-V440 VanDerWaalsContact O-N 3.08Å; A419-V440 HydrophobicContact CB-CG1 4.33Å; H436-V440 HydrophobicContact CB-CG2 4.32Å; V440-V443 HydrophobicContact CG1-CG2 3.77Å; V440-T454 HydrophobicContact CG1-CG2 4.34Å
441D97.2Very high91.8Very high30 Ų3028.3 Ų28.316%0.1616%0.157CC..EExtended strand (participates in β ladder)trans-83.9-28.7-172.4-61.2-49.5000112.7D400 G455 T457 V482 L483D400-D441 WeakPolarHBondContact CB-O 3.06Å; D441-G455 PolarHBondContact N-O 2.99Å; D441-T457 PolarHBondContact OD1-OG1 3.37Å; D441-T457 WeakPolarHBondContact OD2-CA 3.22Å; D441-T457 PolarHBondContact OD2-N 2.91Å; D441-T457 PolarHBondContact OD2-OG1 3.44Å; D441-V482 WeakPolarHBondContact CB-O 3.47Å; D441-L483 HydrophobicContact CB-CD2 4.28Å
442C96.7Very high92.1Very high2 Ų226 Ų261%0.01415%0.148CC..EExtended strand (participates in β ladder)trans-145.9148.218056.70000113.2D400 T454 G455 V482 L483D400-C442 WeakPolarHBondContact OD2-CA 3.17Å; C442-T454 WeakPolarHBondContact O-CA 3.35Å; C442-G455 PolarHBondContact N-O 2.85Å; C442-G455 PolarHBondContact O-N 2.88Å; C442-V482 PolarHBondContact SG-O 3.15Å; C442-L483 WeakPolarHBondContact CB-O 3.38Å
443V97.4Very high92.4Very high0 Ų022.2 Ų22.20%013%0.128CC..EExtended strand (participates in β ladder)trans-139.4134.9-177.6-178.80000109.4D400 D402 A411 A419 V440 L452 A453 T454D400-V443 PolarHBondContact OD2-N 3.48Å; D402-V443 WeakPolarHBondContact CB-O 3.31Å; A411-V443 HydrophobicContact CB-CG1 3.7Å; A419-V443 HydrophobicContact CB-CG2 4.31Å; V440-V443 HydrophobicContact CG1-CG2 3.77Å; V443-L452 HydrophobicContact CG1-CD1 3.56Å; V443-L452 HydrophobicContact CG1-CD2 4.02Å; V443-L452 HydrophobicContact CG1-CG 3.91Å; V443-A453 WeakPolarHBondContact CA-O 3.5Å; V443-T454 HydrophobicContact CG1-CG2 4.42Å; V443-T454 HydrophobicContact CG2-CG2 4.18Å
444K96.5Very high92.6Very high35 Ų3522.1 Ų22.115%0.15213%0.128CC..EExtended strand (participates in β ladder)trans-141.6140.3173.1-70.5-60171.6-153.80113.2D402 L452 A453 L485 F487D402-K444 HydrophobicContact CB-CD 4.15Å; D402-K444 VanDerWaalsContact CG-CD 3.43Å; D402-K444 WeakPolarHBondContact OD1-CD 3.31Å; D402-K444 IonicContact OD1-NZ 2.82Å; D402-K444 PolarHBondContact OD1-NZ 3.47Å; D402-K444 WeakPolarHBondContact OD2-CA 3.19Å; D402-K444 WeakPolarHBondContact OD2-CD 3.32Å; K444-L452 WeakPolarHBondContact O-CD1 3.41Å; K444-A453 PolarHBondContact N-O 2.82Å; K444-A453 PolarHBondContact O-N 2.98Å; K444-L485 HydrophobicContact CB-CB 4.24Å; K444-L485 HydrophobicContact CG-CB 3.85Å; K444-L485 WeakPolarHBondContact CG-O 3.36Å; K444-F487 HydrophobicContact CB-CD2 4.11Å; K444-F487 HydrophobicContact CB-CE2 4.26Å; K444-F487 WeakPolarHBondContact O-CE2 3.32Å
445F93.8Very high92.9Very high11 Ų1117.6 Ų17.65%0.04810%0.101CC..EExtended strand (participates in β ladder)trans-79.7142.1170-81-82.5000111.3D402 A411 L421 L452 T466 F487D402-F445 HydrophobicContact CB-CD2 4.22Å; D402-F445 WeakPolarHBondContact O-CE2 3.22Å; D402-F445 PolarHBondContact OD2-N 2.93Å; A411-F445 HydrophobicContact CB-CD2 4.46Å; A411-F445 HydrophobicContact CB-CE2 3.52Å; A411-F445 HydrophobicContact CB-CZ 3.66Å; L421-F445 HydrophobicContact CD1-CE1 3.93Å; L421-F445 HydrophobicContact CD1-CZ 3.58Å; F445-L452 HydrophobicContact CD1-CD1 3.82Å; F445-L452 HydrophobicContact CD2-CD1 3.96Å; F445-L452 HydrophobicContact CE1-CD1 3.84Å; F445-L452 HydrophobicContact CE2-CD1 3.98Å; F445-L452 HydrophobicContact CG-CD1 3.89Å; F445-L452 HydrophobicContact CZ-CD1 3.93Å; F445-T466 HydrophobicContact CE1-CG2 4.19Å; F445-F487 VanDerWaalsContact C-CD2 3.49Å; F445-F487 WeakPolarHBondContact O-CD2 3.24Å
446H91.1Very high93.2Very high2 Ų216.6 Ų16.61%0.0099%0.09CC..  trans-67.7149.4164.7-175-86.3000109.9N448 S449 Y451 F487 G491H446-N448 WeakPolarHBondContact ND1-CB 3.49Å; H446-N448 PolarHBondContact ND1-N 3.41Å; H446-N448 VanDerWaalsContact ND1-N 3.18Å; H446-N448 PolarHBondContact ND1-ND2 2.7Å; H446-N448 PolarHBondContact ND1-OD1 2.83Å; H446-N448 PolarHBondContact O-N 3.29Å; H446-S449 PolarHBondContact O-N 2.97Å; H446-Y451 WeakPolarHBondContact CB-O 3.34Å; H446-Y451 PolarHBondContact N-O 2.87Å; H446-F487 HydrophobicContact CB-CD1 4.35Å; H446-F487 HydrophobicContact CB-CD2 4.41Å; H446-F487 HydrophobicContact CB-CE1 4.11Å; H446-F487 HydrophobicContact CB-CE2 4.15Å; H446-F487 HydrophobicContact CB-CG 4.48Å; H446-F487 HydrophobicContact CB-CZ 3.98Å; H446-F487 AromaticContact CD2-CD1 3.52Å; H446-F487 AromaticContact CD2-CE1 3.54Å; H446-G491 WeakPolarHBondContact NE2-CA 3.41Å; H446-G491 PolarHBondContact NE2-O 2.95Å
447P84.4Confident93.3Very high39 Ų3918.4 Ų18.425%0.25310%0.102SC..THydrogen-bonded Turntrans-53.1-23.3179.3-31.336.2000115.8F487 S488P447-F487 HydrophobicContact CG-CB 4.33Å; P447-S488 WeakPolarHBondContact CG-O 3.47Å
448N78.6Confident93.4Very high2 Ų213.4 Ų13.41%0.0118%0.076CC..THydrogen-bonded Turntrans-88.9-2.4177.180.7-5.3000113.5E50 N55 I56 H446 N450E50-N448 WeakPolarHBondContact O-CB 3.22Å; E50-N448 PolarHBondContact O-ND2 2.89Å; N55-N448 CarbonylContact O-C 3.56Å; N55-N448 WeakPolarHBondContact O-CA 3.16Å; N55-N448 VanDerWaalsContact O-CB 3.26Å; N55-N448 WeakPolarHBondContact O-CB 3.49Å; I56-N448 CarbonylContact C-O 3.47Å; I56-N448 WeakPolarHBondContact CA-O 3.45Å; H446-N448 WeakPolarHBondContact ND1-CB 3.49Å; H446-N448 PolarHBondContact ND1-N 3.41Å; H446-N448 VanDerWaalsContact ND1-N 3.18Å; H446-N448 PolarHBondContact ND1-ND2 2.7Å; H446-N448 PolarHBondContact ND1-OD1 2.83Å; H446-N448 PolarHBondContact O-N 3.29Å; N448-N450 PolarHBondContact O-N 3.27Å; N448-N450 PolarHBondContact OD1-N 2.54Å
449S84.9Confident93.4Very high0 Ų016.2 Ų16.20%08%0.083CC..SBendtrans62.2-6.8-176.7-37.40000116.7I56 S58 S404 H446 T466I56-S449 WeakPolarHBondContact O-CB 3.45Å; I56-S449 PolarHBondContact O-OG 3.34Å; S58-S449 WeakPolarHBondContact CB-O 3.27Å; S58-S449 PolarHBondContact OG-O 3Å; S404-S449 WeakPolarHBondContact OG-CB 3.31Å; S404-S449 PolarHBondContact OG-OG 3.37Å; H446-S449 PolarHBondContact O-N 2.97Å; S449-T466 WeakPolarHBondContact O-CG2 3.41Å; S449-T466 PolarHBondContact O-OG1 2.69Å
450N82Confident93.3Very high4 Ų415.9 Ų15.92%0.0218%0.082CC..SBendtrans-83.2-17.4-177.2-64.9-27.6000113.4N55 S58 N448 T466N55-N450 PolarHBondContact O-ND2 2.93Å; S58-N450 WeakPolarHBondContact CA-OD1 3.4Å; S58-N450 WeakPolarHBondContact CB-OD1 3.4Å; N448-N450 PolarHBondContact O-N 3.27Å; N448-N450 PolarHBondContact OD1-N 2.54Å; N450-T466 VanDerWaalsContact C-OG1 3.25Å; N450-T466 VanDerWaalsContact CA-OG1 3.3Å; N450-T466 WeakPolarHBondContact CA-OG1 3.41Å; N450-T466 PolarHBondContact O-N 2.84Å; N450-T466 PolarHBondContact O-OG1 2.88Å
451Y89.4Confident93.3Very high10 Ų1015.9 Ų15.94%0.0398%0.082CC..EExtended strand (participates in β ladder)trans-123.2146.7177.3-56.5-83.3000111T46 V47 E50 H446 L463 W464 V472T46-Y451 PolarHBondContact OG1-OH 2.87Å; V47-Y451 HydrophobicContact CB-CE2 4.49Å; V47-Y451 HydrophobicContact CG2-CD1 4.29Å; V47-Y451 HydrophobicContact CG2-CD2 4.41Å; V47-Y451 HydrophobicContact CG2-CE1 3.66Å; V47-Y451 HydrophobicContact CG2-CE2 3.83Å; V47-Y451 VanDerWaalsContact CG2-CZ 3.43Å; E50-Y451 HydrophobicContact CB-CE2 4.33Å; E50-Y451 WeakPolarHBondContact OE2-CE2 3.49Å; E50-Y451 PolarHBondContact OE2-OH 2.99Å; H446-Y451 WeakPolarHBondContact CB-O 3.34Å; H446-Y451 PolarHBondContact N-O 2.87Å; Y451-L463 HydrophobicContact CD1-CD2 4.19Å; Y451-L463 HydrophobicContact CD1-CG 4.3Å; Y451-L463 HydrophobicContact CG-CD2 4.48Å; Y451-W464 VanDerWaalsContact CA-O 3.25Å; Y451-W464 WeakPolarHBondContact CA-O 3.4Å; Y451-V472 HydrophobicContact CD1-CG2 4.43Å; Y451-V472 HydrophobicContact CE1-CG2 4.26Å
452L94Very high93.2Very high0 Ų016.5 Ų16.50%08%0.082CC..EExtended strand (participates in β ladder)trans-124.9126.8175.9-172.873.8000108.7A411 Y433 V443 K444 F445 T454 L463 W464 T466A411-L452 HydrophobicContact CB-CD1 3.6Å; A411-L452 HydrophobicContact CB-CD2 3.8Å; A411-L452 HydrophobicContact CB-CG 4.37Å; Y433-L452 HydrophobicContact CD2-CD2 3.73Å; Y433-L452 HydrophobicContact CE2-CD2 3.32Å; V443-L452 HydrophobicContact CG1-CD1 3.56Å; V443-L452 HydrophobicContact CG1-CD2 4.02Å; V443-L452 HydrophobicContact CG1-CG 3.91Å; K444-L452 WeakPolarHBondContact O-CD1 3.41Å; F445-L452 HydrophobicContact CD1-CD1 3.82Å; F445-L452 HydrophobicContact CD2-CD1 3.96Å; F445-L452 HydrophobicContact CE1-CD1 3.84Å; F445-L452 HydrophobicContact CE2-CD1 3.98Å; F445-L452 HydrophobicContact CG-CD1 3.89Å; F445-L452 HydrophobicContact CZ-CD1 3.93Å; L452-T454 HydrophobicContact CD2-CG2 4.33Å; L452-T454 HydrophobicContact CG-CG2 4.47Å; L452-L463 CarbonylContact O-C 3.55Å; L452-L463 WeakPolarHBondContact O-CA 3.39Å; L452-W464 HydrophobicContact CB-CB 4.43Å; L452-W464 PolarHBondContact N-O 3.22Å; L452-W464 PolarHBondContact O-N 2.66Å; L452-T466 HydrophobicContact CB-CG2 4.22Å
453A97Very high93.2Very high0 Ų016.4 Ų16.40%08%0.082CC..EExtended strand (participates in β ladder)trans-96.5139.7169.800000110.6V443 K444 R462 L463 L485 F487 L494V443-A453 WeakPolarHBondContact CA-O 3.5Å; K444-A453 PolarHBondContact N-O 2.82Å; K444-A453 PolarHBondContact O-N 2.98Å; A453-R462 CarbonylContact C-O 3.55Å; A453-R462 VanDerWaalsContact CA-O 3.26Å; A453-R462 WeakPolarHBondContact CA-O 3.34Å; A453-L463 HydrophobicContact CB-CD1 4.26Å; A453-L485 HydrophobicContact CB-CD1 3.95Å; A453-F487 HydrophobicContact CB-CE2 3.53Å; A453-F487 HydrophobicContact CB-CZ 3.49Å; A453-F487 VanDerWaalsContact CB-CZ 3.49Å; A453-L494 HydrophobicContact CB-CD1 3.98Å; A453-L494 HydrophobicContact CB-CD2 3.85Å
454T98Very high92.9Very high0 Ų016.7 Ų16.70%08%0.083CC..EExtended strand (participates in β ladder)trans-129.2132.5174.960.30000109.8A419 H436 V440 C442 V443 L452 V461 R462 W464A419-T454 HydrophobicContact CB-CG2 3.54Å; H436-T454 PolarHBondContact CD2-OG1 2.93Å; H436-T454 PolarHBondContact NE2-OG1 2.97Å; V440-T454 HydrophobicContact CG1-CG2 4.34Å; C442-T454 WeakPolarHBondContact O-CA 3.35Å; V443-T454 HydrophobicContact CG1-CG2 4.42Å; V443-T454 HydrophobicContact CG2-CG2 4.18Å; L452-T454 HydrophobicContact CD2-CG2 4.33Å; L452-T454 HydrophobicContact CG-CG2 4.47Å; T454-V461 CarbonylContact O-C 3.55Å; T454-V461 VanDerWaalsContact O-CA 3.29Å; T454-V461 WeakPolarHBondContact O-CA 3.34Å; T454-V461 WeakPolarHBondContact O-CG1 3.35Å; T454-R462 PolarHBondContact N-O 3.28Å; T454-R462 PolarHBondContact O-N 3.32Å; T454-W464 PolarHBondContact OG1-NE1 2.82Å
455G97.6Very high92.5Very high0 Ų015.6 Ų15.60%08%0.079CC..EExtended strand (participates in β ladder)trans-110143174.600000109.5D441 C442 L485D441-G455 PolarHBondContact N-O 2.99Å; C442-G455 PolarHBondContact N-O 2.85Å; C442-G455 PolarHBondContact O-N 2.88Å; G455-L485 VanDerWaalsContact N-CD1 3.35Å
456S97.9Very high92Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-136.5156.7-172.3172.50000112.4H436 S438 D439 D458 K459 T460 V482H436-S456 WeakPolarHBondContact ND1-CB 3.32Å; S438-S456 PolarHBondContact O-OG 3.14Å; D439-S456 WeakPolarHBondContact O-CA 3.41Å; D439-S456 WeakPolarHBondContact O-CB 3.49Å; D439-S456 PolarHBondContact O-OG 3.32Å; S456-D458 VanDerWaalsContact CB-OD1 3.32Å; S456-D458 WeakPolarHBondContact CB-OD1 3.34Å; S456-D458 PolarHBondContact O-N 2.95Å; S456-D458 VanDerWaalsContact O-N 3.11Å; S456-D458 VanDerWaalsContact OG-CG 3.26Å; S456-D458 PolarHBondContact OG-N 2.79Å; S456-D458 VanDerWaalsContact OG-N 3.07Å; S456-D458 PolarHBondContact OG-OD1 3.3Å; S456-K459 PolarHBondContact O-N 3.48Å; S456-T460 PolarHBondContact N-O 3.02Å; S456-V482 PolarHBondContact O-N 3.47Å
457T97.1Very high91.4Very high53 Ų5317.1 Ų17.133%0.3259%0.087SC..THydrogen-bonded Turntrans-57.5-19.4167.6-46.80000112.1D439 D441 K459 A481D439-T457 PolarHBondContact O-N 3.31Å; D439-T457 VanDerWaalsContact O-N 3.16Å; D441-T457 PolarHBondContact OD1-OG1 3.37Å; D441-T457 WeakPolarHBondContact OD2-CA 3.22Å; D441-T457 PolarHBondContact OD2-N 2.91Å; D441-T457 PolarHBondContact OD2-OG1 3.44Å; T457-K459 PolarHBondContact O-N 2.62Å; T457-K459 VanDerWaalsContact O-N 3.08Å; T457-A481 HydrophobicContact CG2-CB 4.2Å
458D96.1Very high91Very high24 Ų2421.4 Ų21.413%0.12810%0.103CC..THydrogen-bonded Turntrans-69.72.1173.577.29.8000114.3H436 L437 S456 T460H436-D458 WeakPolarHBondContact CA-OD2 3.47Å; H436-D458 IonicContact CE1-OD1 2.92Å; H436-D458 IonicContact CG-OD2 3.14Å; H436-D458 IonicContact ND1-OD1 3.61Å; H436-D458 PolarHBondContact ND1-OD1 3.04Å; H436-D458 IonicContact ND1-OD2 3.79Å; H436-D458 PolarHBondContact ND1-OD2 2.96Å; L437-D458 HydrophobicContact CB-CB 3.98Å; L437-D458 PolarHBondContact N-OD2 3.05Å; S456-D458 VanDerWaalsContact CB-OD1 3.32Å; S456-D458 WeakPolarHBondContact CB-OD1 3.34Å; S456-D458 PolarHBondContact O-N 2.95Å; S456-D458 VanDerWaalsContact O-N 3.11Å; S456-D458 VanDerWaalsContact OG-CG 3.26Å; S456-D458 PolarHBondContact OG-N 2.79Å; S456-D458 VanDerWaalsContact OG-N 3.07Å; S456-D458 PolarHBondContact OG-OD1 3.3Å; D458-T460 VanDerWaalsContact CG-OG1 3.29Å; D458-T460 PolarHBondContact O-N 2.93Å; D458-T460 WeakPolarHBondContact OD1-CA 3.42Å; D458-T460 VanDerWaalsContact OD1-CB 3.28Å; D458-T460 WeakPolarHBondContact OD1-CB 3.36Å; D458-T460 PolarHBondContact OD1-N 2.88Å; D458-T460 PolarHBondContact OD1-OG1 3.12Å; D458-T460 PolarHBondContact OD2-OG1 3.33Å
459K96.8Very high91Very high99 Ų9921.8 Ų21.843%0.4311%0.108SC..SBendtrans7117.4176.3-40.8177.4175.8-1650113.1S456 T457 H478 R479 G480S456-K459 PolarHBondContact O-N 3.48Å; T457-K459 PolarHBondContact O-N 2.62Å; T457-K459 VanDerWaalsContact O-N 3.08Å; K459-H478 HydrophobicContact CB-CB 4.4Å; K459-R479 WeakPolarHBondContact CD-O 3.26Å; K459-R479 WeakPolarHBondContact CE-O 3.36Å; K459-R479 PolarHBondContact NZ-O 3.47Å; K459-G480 WeakPolarHBondContact CB-O 3.33Å; K459-G480 WeakPolarHBondContact CG-O 3.49Å
460T96.1Very high90.9Very high22 Ų2227.9 Ų27.914%0.13514%0.137CC..EExtended strand (participates in β ladder)trans-117.8154.1177.676.70000111.1H436 S456 D458 L474 T476H436-T460 PolarHBondContact CE1-OG1 3.21Å; H436-T460 PolarHBondContact ND1-OG1 2.97Å; S456-T460 PolarHBondContact N-O 3.02Å; D458-T460 VanDerWaalsContact CG-OG1 3.29Å; D458-T460 PolarHBondContact O-N 2.93Å; D458-T460 WeakPolarHBondContact OD1-CA 3.42Å; D458-T460 VanDerWaalsContact OD1-CB 3.28Å; D458-T460 WeakPolarHBondContact OD1-CB 3.36Å; D458-T460 PolarHBondContact OD1-N 2.88Å; D458-T460 PolarHBondContact OD1-OG1 3.12Å; D458-T460 PolarHBondContact OD2-OG1 3.33Å; T460-L474 HydrophobicContact CG2-CD1 4.25Å; T460-T476 HydrophobicContact CG2-CG2 4.33Å
461V97.3Very high91.2Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-115.9134168.6-177.90000107.7T454 F475 V482 L485 L494T454-V461 CarbonylContact O-C 3.55Å; T454-V461 VanDerWaalsContact O-CA 3.29Å; T454-V461 WeakPolarHBondContact O-CA 3.34Å; T454-V461 WeakPolarHBondContact O-CG1 3.35Å; V461-F475 HydrophobicContact CB-CB 4.14Å; V461-F475 HydrophobicContact CB-CD2 4.13Å; V461-F475 HydrophobicContact CG1-CD2 4.07Å; V461-F475 PolarHBondContact N-O 3.26Å; V461-F475 PolarHBondContact O-N 2.78Å; V461-V482 HydrophobicContact CG2-CB 4.32Å; V461-V482 HydrophobicContact CG2-CG1 3.82Å; V461-V482 HydrophobicContact CG2-CG2 3.92Å; V461-L485 HydrophobicContact CG1-CD1 4.31Å; V461-L485 HydrophobicContact CG1-CD2 3.7Å; V461-L485 HydrophobicContact CG2-CD2 4.05Å; V461-L494 HydrophobicContact CG1-CD2 3.85Å
462R95.6Very high91.2Very high43 Ų4331 Ų3116%0.16216%0.159CC..EExtended strand (participates in β ladder)trans-116.3142.7177-70.1178.8-178.4-135.22.3110.4G435 A453 T454 W464 R473 L474G435-R462 PolarHBondContact O-NH1 2.83Å; G435-R462 PolarHBondContact O-NH2 3.19Å; A453-R462 CarbonylContact C-O 3.55Å; A453-R462 VanDerWaalsContact CA-O 3.26Å; A453-R462 WeakPolarHBondContact CA-O 3.34Å; T454-R462 PolarHBondContact N-O 3.28Å; T454-R462 PolarHBondContact O-N 3.32Å; R462-W464 HydrophobicContact CB-CZ2 3.94Å; R462-W464 HydrophobicContact CG-CZ2 4.31Å; R462-R473 WeakPolarHBondContact CA-O 3.36Å; R462-L474 HydrophobicContact CG-CD1 3.57Å
463L95.1Very high91Very high1 Ų131.7 Ų31.71%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-108.1125.4169.5-169.472.3000108.1V47 Y451 L452 A453 S471 V472 R473 F475 F487 L508V47-L463 HydrophobicContact CG2-CD2 4.49Å; Y451-L463 HydrophobicContact CD1-CD2 4.19Å; Y451-L463 HydrophobicContact CD1-CG 4.3Å; Y451-L463 HydrophobicContact CG-CD2 4.48Å; L452-L463 CarbonylContact O-C 3.55Å; L452-L463 WeakPolarHBondContact O-CA 3.39Å; A453-L463 HydrophobicContact CB-CD1 4.26Å; L463-S471 CarbonylContact O-C 3.59Å; L463-V472 PolarHBondContact O-N 3.07Å; L463-R473 HydrophobicContact CB-CB 3.94Å; L463-R473 HydrophobicContact CD2-CG 4.37Å; L463-R473 PolarHBondContact N-O 3.18Å; L463-R473 PolarHBondContact O-N 2.82Å; L463-R473 VanDerWaalsContact O-N 3.15Å; L463-F475 HydrophobicContact CB-CE2 4.18Å; L463-F487 HydrophobicContact CD1-CE1 4.15Å; L463-F487 HydrophobicContact CD1-CZ 3.68Å; L463-L508 HydrophobicContact CD2-CD2 4.13Å
464W92.4Very high90.7Very high6 Ų635.9 Ų35.92%0.02318%0.183CC..EExtended strand (participates in β ladder)trans-111.5144.2-178.7-53.490.7000110.2Y433 V434 Y451 L452 T454 R462 Q470 S471Y433-W464 HydrophobicContact CD1-CB 3.59Å; Y433-W464 AromaticContact CD1-CD2 3.69Å; Y433-W464 HydrophobicContact CD1-CD2 3.69Å; Y433-W464 AromaticContact CD1-CE3 3.72Å; Y433-W464 HydrophobicContact CD1-CE3 3.72Å; Y433-W464 AromaticContact CD1-CG 3.63Å; Y433-W464 HydrophobicContact CD1-CG 3.63Å; Y433-W464 HydrophobicContact CE1-CB 3.6Å; Y433-W464 HydrophobicContact CE1-CG 4.16Å; Y433-W464 HydrophobicContact CG-CB 4.36Å; Y433-W464 HydrophobicContact CG-CD2 4.06Å; Y433-W464 HydrophobicContact CG-CE3 4.34Å; Y433-W464 HydrophobicContact CG-CG 4.04Å; V434-W464 WeakPolarHBondContact O-CH2 3.27Å; Y451-W464 VanDerWaalsContact CA-O 3.25Å; Y451-W464 WeakPolarHBondContact CA-O 3.4Å; L452-W464 HydrophobicContact CB-CB 4.43Å; L452-W464 PolarHBondContact N-O 3.22Å; L452-W464 PolarHBondContact O-N 2.66Å; T454-W464 PolarHBondContact OG1-NE1 2.82Å; R462-W464 HydrophobicContact CB-CZ2 3.94Å; R462-W464 HydrophobicContact CG-CZ2 4.31Å; W464-Q470 WeakPolarHBondContact CA-O 3.29Å; W464-S471 VanDerWaalsContact CE3-CA 3.49Å; W464-S471 VanDerWaalsContact CE3-N 3.31Å
465S87.8Confident90.5Very high11 Ų1136 Ų368%0.07718%0.184CC..EExtended strand (participates in β ladder)trans-79.6125.3164.6170.20000108.5Q467 Q468 G469 Q470S465-Q467 VanDerWaalsContact C-N 3.32Å; S465-Q467 PolarHBondContact OG-N 3.23Å; S465-Q468 PolarHBondContact OG-N 3.31Å; S465-Q468 VanDerWaalsContact OG-N 3.12Å; S465-G469 VanDerWaalsContact O-CA 3.26Å; S465-G469 WeakPolarHBondContact O-CA 3.28Å; S465-G469 PolarHBondContact O-N 3.19Å; S465-Q470 PolarHBondContact N-O 2.76Å
466T83.6Confident90.2Very high0 Ų040.3 Ų40.30%021%0.21CC..THydrogen-bonded Turntrans-68.3-35.4177.1580000111.9S58 R431 Y433 F445 S449 N450 L452S58-T466 WeakPolarHBondContact CB-OG1 3.31Å; S58-T466 VanDerWaalsContact OG-CB 3.3Å; S58-T466 WeakPolarHBondContact OG-CB 3.3Å; S58-T466 PolarHBondContact OG-OG1 2.92Å; R431-T466 PolarHBondContact NH2-O 3.4Å; Y433-T466 WeakPolarHBondContact OH-CA 3.32Å; F445-T466 HydrophobicContact CE1-CG2 4.19Å; S449-T466 WeakPolarHBondContact O-CG2 3.41Å; S449-T466 PolarHBondContact O-OG1 2.69Å; N450-T466 VanDerWaalsContact C-OG1 3.25Å; N450-T466 VanDerWaalsContact CA-OG1 3.3Å; N450-T466 WeakPolarHBondContact CA-OG1 3.41Å; N450-T466 PolarHBondContact O-N 2.84Å; N450-T466 PolarHBondContact O-OG1 2.88Å; L452-T466 HydrophobicContact CB-CG2 4.22Å
467Q77Confident89.8Confident45 Ų4542.2 Ų42.221%0.2123%0.23CC..THydrogen-bonded Turntrans-74.4-34.1179.1-67.5-175.4-0.400114.3S191 R431 S465S191-Q467 PolarHBondContact O-NE2 3.27Å; S191-Q467 PolarHBondContact OG-NE2 2.52Å; R431-Q467 PolarHBondContact NH2-O 3.07Å; S465-Q467 VanDerWaalsContact C-N 3.32Å; S465-Q467 PolarHBondContact OG-N 3.23Å
468Q76.5Confident89.7Confident129 Ų12940.3 Ų40.360%0.60322%0.217SC*.THydrogen-bonded Turntrans-102.2-23.3-179-61.3-176.17.500113.1R431 S465 Q470R431-Q468 VanDerWaalsContact CZ-C 3.44Å; R431-Q468 PolarHBondContact NH1-O 2.82Å; R431-Q468 VanDerWaalsContact NH2-C 3.28Å; S465-Q468 PolarHBondContact OG-N 3.31Å; S465-Q468 VanDerWaalsContact OG-N 3.12Å; Q468-Q470 HydrophobicContact CB-CB 4.46Å; Q468-Q470 HydrophobicContact CB-CG 4.33Å; Q468-Q470 PolarHBondContact O-N 3.46Å
469G79.1Confident89.6Confident11 Ų1148.8 Ų48.811%0.11325%0.247CC..  trans74.94-175.400000113.6S465S465-G469 VanDerWaalsContact O-CA 3.26Å; S465-G469 WeakPolarHBondContact O-CA 3.28Å; S465-G469 PolarHBondContact O-N 3.19Å
470Q82.7Confident89.5Confident128 Ų12844.3 Ų44.360%0.59823%0.23SC*.  trans-92147.7-176.6-64.7-62.6-20.200111.2W464 S465 Q468 V472W464-Q470 WeakPolarHBondContact CA-O 3.29Å; S465-Q470 PolarHBondContact N-O 2.76Å; Q468-Q470 HydrophobicContact CB-CB 4.46Å; Q468-Q470 HydrophobicContact CB-CG 4.33Å; Q468-Q470 PolarHBondContact O-N 3.46Å; Q470-V472 PolarHBondContact O-N 3.07Å
471S88.7Confident89.5Confident46 Ų4643.4 Ų43.432%0.32222%0.224SC..EExtended strand (participates in β ladder)trans-70.3111.1171.2-176.60000108.1L463 W464 R473L463-S471 CarbonylContact O-C 3.59Å; W464-S471 VanDerWaalsContact CE3-CA 3.49Å; W464-S471 VanDerWaalsContact CE3-N 3.31Å; S471-R473 PolarHBondContact OG-O 3.03Å
472V88.9Confident89.6Confident34 Ų3443.4 Ų43.421%0.20622%0.224CC..EExtended strand (participates in β ladder)trans-82.1-37.9178.5-176.30000110.2A43 Y451 L463 Q470A43-V472 HydrophobicContact CB-CG1 3.39Å; Y451-V472 HydrophobicContact CD1-CG2 4.43Å; Y451-V472 HydrophobicContact CE1-CG2 4.26Å; L463-V472 PolarHBondContact O-N 3.07Å; Q470-V472 PolarHBondContact O-N 3.07Å
473R89.1Confident89.6Confident14 Ų1443.9 Ų43.95%0.05323%0.23CC..EExtended strand (participates in β ladder)trans-142150.2179-59.3-169.9170-159.7-10.6112.8E40 R462 L463 S471 F475 D507 L508 A509E40-R473 PolarHBondContact O-NH2 3.44Å; R462-R473 WeakPolarHBondContact CA-O 3.36Å; L463-R473 HydrophobicContact CB-CB 3.94Å; L463-R473 HydrophobicContact CD2-CG 4.37Å; L463-R473 PolarHBondContact N-O 3.18Å; L463-R473 PolarHBondContact O-N 2.82Å; L463-R473 VanDerWaalsContact O-N 3.15Å; S471-R473 PolarHBondContact OG-O 3.03Å; R473-F475 HydrophobicContact CB-CE1 4.37Å; R473-F475 HydrophobicContact CB-CE2 4.1Å; R473-F475 HydrophobicContact CB-CZ 3.89Å; R473-F475 HydrophobicContact CG-CZ 4.48Å; R473-D507 PolarHBondContact NH1-O 2.98Å; R473-L508 PolarHBondContact NH1-O 3.15Å; R473-L508 PolarHBondContact NH2-O 3.01Å; R473-A509 VanDerWaalsContact NH1-C 3.33Å; R473-A509 PolarHBondContact NH1-O 3.01Å; R473-A509 PolarHBondContact NH2-O 3.17Å
474L92.3Very high89.6Confident87 Ų8744.1 Ų44.146%0.45523%0.232SC..EExtended strand (participates in β ladder)trans-124.8113.1171.4178.167.7000108.8T460 R462 T476T460-L474 HydrophobicContact CG2-CD1 4.25Å; R462-L474 HydrophobicContact CG-CD1 3.57Å; L474-T476 HydrophobicContact CD2-CG2 4.07Å; L474-T476 HydrophobicContact CG-CG2 3.95Å
475F93.3Very high89.9Confident2 Ų244 Ų441%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-95.8112.4175.1-53-72.6000109.5V461 L463 R473 L494 W506 L508V461-F475 HydrophobicContact CB-CB 4.14Å; V461-F475 HydrophobicContact CB-CD2 4.13Å; V461-F475 HydrophobicContact CG1-CD2 4.07Å; V461-F475 PolarHBondContact N-O 3.26Å; V461-F475 PolarHBondContact O-N 2.78Å; L463-F475 HydrophobicContact CB-CE2 4.18Å; R473-F475 HydrophobicContact CB-CE1 4.37Å; R473-F475 HydrophobicContact CB-CE2 4.1Å; R473-F475 HydrophobicContact CB-CZ 3.89Å; R473-F475 HydrophobicContact CG-CZ 4.48Å; F475-L494 HydrophobicContact CD2-CD2 4.19Å; F475-L494 HydrophobicContact CE2-CD2 3.83Å; F475-W506 HydrophobicContact CB-CD2 3.84Å; F475-W506 HydrophobicContact CB-CE3 3.94Å; F475-W506 HydrophobicContact CB-CG 4.42Å; F475-W506 HydrophobicContact CB-CH2 4.09Å; F475-W506 HydrophobicContact CB-CZ2 3.99Å; F475-W506 HydrophobicContact CB-CZ3 4.06Å; F475-W506 HydrophobicContact CD1-CB 4.01Å; F475-W506 AromaticContact CD1-CD2 3.72Å; F475-W506 HydrophobicContact CD1-CD2 3.72Å; F475-W506 AromaticContact CD1-CE3 3.52Å; F475-W506 HydrophobicContact CD1-CE3 3.52Å; F475-W506 AromaticContact CD1-CG 3.93Å; F475-W506 HydrophobicContact CD1-CG 3.93Å; F475-W506 HydrophobicContact CD1-CZ3 4.23Å; F475-W506 HydrophobicContact CE1-CB 3.89Å; F475-W506 HydrophobicContact CE1-CD2 4.49Å; F475-W506 HydrophobicContact CE1-CE3 4.37Å; F475-W506 HydrophobicContact CE1-CG 4.31Å; F475-W506 HydrophobicContact CG-CB 4.49Å; F475-W506 AromaticContact CG-CD2 3.89Å; F475-W506 HydrophobicContact CG-CD2 3.89Å; F475-W506 HydrophobicContact CG-CE3 4.04Å; F475-W506 HydrophobicContact CG-CG 4.07Å; F475-W506 HydrophobicContact CZ-CB 4.3Å; F475-L508 HydrophobicContact CE2-CD2 4.36Å; F475-L508 HydrophobicContact CZ-CD2 3.94Å
476T92Very high90.3Very high92 Ų9244 Ų4456%0.56423%0.232SC*.EExtended strand (participates in β ladder)trans-108.4137.5175.964.40000110.3T460 L474 W506T460-T476 HydrophobicContact CG2-CG2 4.33Å; L474-T476 HydrophobicContact CD2-CG2 4.07Å; L474-T476 HydrophobicContact CG-CG2 3.95Å; T476-W506 WeakPolarHBondContact O-CH2 3.22Å
477G88.7Confident90.8Very high40 Ų4044.9 Ų44.941%0.41224%0.236SC..  trans158.8-15.4174.700000115.1K504G477-K504 WeakPolarHBondContact O-CE 3.41Å
478H94.3Very high91.4Very high13 Ų1342.8 Ų42.86%0.0623%0.226CC..  trans-68.8152.8172-78.6-75.3000111.7K459 V482 S496 D500K459-H478 HydrophobicContact CB-CB 4.4Å; H478-V482 HydrophobicContact CB-CG2 4.14Å; H478-S496 PolarHBondContact CE1-O 2.93Å; H478-S496 PolarHBondContact NE2-OG 3.28Å; H478-D500 WeakPolarHBondContact CA-OD2 3.48Å; H478-D500 WeakPolarHBondContact CB-OD2 3.42Å; H478-D500 IonicContact CE1-OD1 3.6Å; H478-D500 IonicContact CE1-OD2 2.69Å; H478-D500 IonicContact CG-OD2 3.46Å; H478-D500 VanDerWaalsContact ND1-CG 3.3Å; H478-D500 IonicContact ND1-OD1 3.8Å; H478-D500 PolarHBondContact ND1-OD1 3.23Å; H478-D500 VanDerWaalsContact ND1-OD1 3.14Å; H478-D500 IonicContact ND1-OD2 2.64Å; H478-D500 PolarHBondContact ND1-OD2 3.18Å
479R94.4Very high91.8Very high201 Ų20138.7 Ų38.776%0.75821%0.211SC*.SBendtrans-108.5-10.9179.3-63-171.1-179.1-164.36.2114.3K459 D500K459-R479 WeakPolarHBondContact CD-O 3.26Å; K459-R479 WeakPolarHBondContact CE-O 3.36Å; K459-R479 PolarHBondContact NZ-O 3.47Å; R479-D500 HydrophobicContact CB-CB 3.98Å; R479-D500 PolarHBondContact N-OD2 3.08Å
480G94.9Very high91.9Very high6 Ų640.5 Ų40.56%0.06222%0.218CC..SBendtrans-135.1-176.7175.500000110.6K459K459-G480 WeakPolarHBondContact CB-O 3.33Å; K459-G480 WeakPolarHBondContact CG-O 3.49Å
481A96.7Very high92Very high2 Ų234.4 Ų34.42%0.01719%0.189CC..  trans-58.3146.5178.300000111.4T457 L483 G498 E499T457-A481 HydrophobicContact CG2-CB 4.2Å; A481-L483 HydrophobicContact CB-CD2 4.11Å; A481-G498 CarbonylContact O-C 3.57Å; A481-G498 VanDerWaalsContact O-CA 3.3Å; A481-G498 WeakPolarHBondContact O-CA 3.28Å; A481-E499 HydrophobicContact CB-CG 3.98Å; A481-E499 WeakPolarHBondContact CB-OE2 3.44Å; A481-E499 PolarHBondContact N-OE2 2.86Å; A481-E499 PolarHBondContact O-N 2.8Å
482V97.9Very high91.9Very high0 Ų037.6 Ų37.60%020%0.197CC..EExtended strand (participates in β ladder)trans-96.1109.5175.4-1750000108.5D441 C442 S456 V461 H478 L485 A497D441-V482 WeakPolarHBondContact CB-O 3.47Å; C442-V482 PolarHBondContact SG-O 3.15Å; S456-V482 PolarHBondContact O-N 3.47Å; V461-V482 HydrophobicContact CG2-CB 4.32Å; V461-V482 HydrophobicContact CG2-CG1 3.82Å; V461-V482 HydrophobicContact CG2-CG2 3.92Å; H478-V482 HydrophobicContact CB-CG2 4.14Å; V482-L485 HydrophobicContact CG1-CD2 4.27Å; V482-A497 WeakPolarHBondContact CG1-O 3.26Å
483L96.2Very high92Very high54 Ų5438.3 Ų38.328%0.28320%0.197SC..EExtended strand (participates in β ladder)trans-101.7-20.5-172.3-56177.8000113D441 C442 A481 A497 E499D441-L483 HydrophobicContact CB-CD2 4.28Å; C442-L483 WeakPolarHBondContact CB-O 3.38Å; A481-L483 HydrophobicContact CB-CD2 4.11Å; L483-A497 PolarHBondContact N-O 2.87Å; L483-E499 HydrophobicContact CD1-CG 4.02Å; L483-E499 HydrophobicContact CG-CG 4.46Å
484A95.9Very high92.3Very high5 Ų537.7 Ų37.74%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-138140.2-176.800000112S496 A497 L527A484-S496 WeakPolarHBondContact O-CA 3.43Å; A484-A497 PolarHBondContact N-O 3.4Å; A484-A497 PolarHBondContact O-N 3.02Å; A484-L527 HydrophobicContact CB-CB 4.32Å; A484-L527 HydrophobicContact CB-CD1 4.05Å; A484-L527 HydrophobicContact CB-CG 3.9Å
485L97.8Very high92.5Very high5 Ų533.5 Ų33.53%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-131.7149.6172.3-69172.3000110K444 A453 G455 V461 V482 L494 A495K444-L485 HydrophobicContact CB-CB 4.24Å; K444-L485 HydrophobicContact CG-CB 3.85Å; K444-L485 WeakPolarHBondContact CG-O 3.36Å; A453-L485 HydrophobicContact CB-CD1 3.95Å; G455-L485 VanDerWaalsContact N-CD1 3.35Å; V461-L485 HydrophobicContact CG1-CD1 4.31Å; V461-L485 HydrophobicContact CG1-CD2 3.7Å; V461-L485 HydrophobicContact CG2-CD2 4.05Å; V482-L485 HydrophobicContact CG1-CD2 4.27Å; L485-L494 HydrophobicContact CD2-CD1 4.19Å; L485-L494 HydrophobicContact CD2-CG 4.49Å; L485-A495 WeakPolarHBondContact CA-O 3.28Å
486A96.2Very high92.7Very high9 Ų933.4 Ų33.47%0.07417%0.172CC..EExtended strand (participates in β ladder)trans-151.4137.516800000110.3A495 L527 F529A486-A495 PolarHBondContact N-O 2.69Å; A486-A495 PolarHBondContact O-N 3.32Å; A486-L527 HydrophobicContact CB-CB 3.84Å; A486-F529 HydrophobicContact CB-CD2 3.86Å; A486-F529 HydrophobicContact CB-CE2 4.26Å; A486-F529 VanDerWaalsContact O-CE2 3.31Å; A486-F529 WeakPolarHBondContact O-CE2 3.2Å
487F93.9Very high92.9Very high20 Ų2029 Ų299%0.08815%0.145CC..EExtended strand (participates in β ladder)trans-91.2144.3170.1-78.8-81.1000111K444 F445 H446 P447 A453 L463 L494 L508 F529K444-F487 HydrophobicContact CB-CD2 4.11Å; K444-F487 HydrophobicContact CB-CE2 4.26Å; K444-F487 WeakPolarHBondContact O-CE2 3.32Å; F445-F487 VanDerWaalsContact C-CD2 3.49Å; F445-F487 WeakPolarHBondContact O-CD2 3.24Å; H446-F487 HydrophobicContact CB-CD1 4.35Å; H446-F487 HydrophobicContact CB-CD2 4.41Å; H446-F487 HydrophobicContact CB-CE1 4.11Å; H446-F487 HydrophobicContact CB-CE2 4.15Å; H446-F487 HydrophobicContact CB-CG 4.48Å; H446-F487 HydrophobicContact CB-CZ 3.98Å; H446-F487 AromaticContact CD2-CD1 3.52Å; H446-F487 AromaticContact CD2-CE1 3.54Å; P447-F487 HydrophobicContact CG-CB 4.33Å; A453-F487 HydrophobicContact CB-CE2 3.53Å; A453-F487 HydrophobicContact CB-CZ 3.49Å; A453-F487 VanDerWaalsContact CB-CZ 3.49Å; L463-F487 HydrophobicContact CD1-CE1 4.15Å; L463-F487 HydrophobicContact CD1-CZ 3.68Å; F487-L494 HydrophobicContact CD1-CB 4.22Å; F487-L494 HydrophobicContact CD1-CD1 3.96Å; F487-L494 HydrophobicContact CD2-CD1 4.09Å; F487-L494 HydrophobicContact CE1-CB 4.08Å; F487-L494 HydrophobicContact CE1-CD1 3.83Å; F487-L494 HydrophobicContact CE1-CD2 4.45Å; F487-L494 HydrophobicContact CE1-CG 4.35Å; F487-L494 HydrophobicContact CE2-CD1 3.98Å; F487-L494 HydrophobicContact CG-CD1 4.11Å; F487-L494 HydrophobicContact CZ-CD1 3.88Å; F487-L494 HydrophobicContact CZ-CD2 4.48Å; F487-L508 HydrophobicContact CD1-CD1 3.65Å; F487-L508 HydrophobicContact CE1-CD1 3.5Å; F487-L508 HydrophobicContact CE1-CD2 4.12Å; F487-L508 HydrophobicContact CE1-CG 4.43Å; F487-F529 VanDerWaalsContact O-CD2 3.27Å; F487-F529 WeakPolarHBondContact O-CD2 3Å
488S91Very high93.2Very high0 Ų027.1 Ų27.10%013%0.126CC..  trans-66.9135.5166.857.80000109.9P447 N490 G491 K492 Y493P447-S488 WeakPolarHBondContact CG-O 3.47Å; S488-N490 WeakPolarHBondContact CB-OD1 3.47Å; S488-N490 PolarHBondContact O-N 3.03Å; S488-N490 PolarHBondContact OG-OD1 2.87Å; S488-G491 PolarHBondContact O-N 3.01Å; S488-K492 PolarHBondContact OG-N 2.9Å; S488-Y493 PolarHBondContact N-O 2.92Å; S488-Y493 PolarHBondContact OG-N 2.8Å; S488-Y493 PolarHBondContact OG-O 2.98Å; S488-Y493 VanDerWaalsContact OG-O 3.05Å
489P84.8Confident93.3Very high43 Ų4331.4 Ų31.428%0.27915%0.145SC..THydrogen-bonded Turntrans-54.2-27.2176.4-31.335.7000115.1G491 F529 S530 S533P489-G491 PolarHBondContact O-N 3.44Å; P489-F529 HydrophobicContact CG-CB 4.44Å; P489-S530 WeakPolarHBondContact CG-O 3.45Å; P489-S533 VanDerWaalsContact CD-OG 3.27Å; P489-S533 WeakPolarHBondContact CD-OG 3.49Å
490N80.3Confident93.2Very high49 Ų4923 Ų2326%0.26212%0.115SC..THydrogen-bonded Turntrans-78.41174.672.115.2000114.8S51 S488 K492 S533S51-N490 VanDerWaalsContact O-O 3.07Å; S488-N490 WeakPolarHBondContact CB-OD1 3.47Å; S488-N490 PolarHBondContact O-N 3.03Å; S488-N490 PolarHBondContact OG-OD1 2.87Å; N490-K492 VanDerWaalsContact C-N 3.27Å; N490-K492 PolarHBondContact O-N 3.04Å; N490-K492 WeakPolarHBondContact OD1-CB 3.35Å; N490-K492 PolarHBondContact OD1-N 2.98Å; N490-S533 PolarHBondContact N-OG 2.9Å; N490-S533 VanDerWaalsContact ND2-CB 3.31Å; N490-S533 WeakPolarHBondContact ND2-CB 3.44Å
491G84.3Confident93.2Very high0 Ų025.5 Ų25.50%013%0.126CC..SBendtrans69.78.8177.300000116.7S51 H446 S488 P489 L508S51-G491 WeakPolarHBondContact CB-O 3.28Å; H446-G491 WeakPolarHBondContact NE2-CA 3.41Å; H446-G491 PolarHBondContact NE2-O 2.95Å; S488-G491 PolarHBondContact O-N 3.01Å; P489-G491 PolarHBondContact O-N 3.44Å; G491-L508 WeakPolarHBondContact O-CD1 3.47Å
492K86.8Confident93Very high113 Ų11328.6 Ų28.649%0.49114%0.137SC..SBendtrans-93.8-29.5-174.2-64.7-174.7178.8-175.30114.3S488 N490 L508S488-K492 PolarHBondContact OG-N 2.9Å; N490-K492 VanDerWaalsContact C-N 3.27Å; N490-K492 PolarHBondContact O-N 3.04Å; N490-K492 WeakPolarHBondContact OD1-CB 3.35Å; N490-K492 PolarHBondContact OD1-N 2.98Å; K492-L508 WeakPolarHBondContact O-CB 3.48Å; K492-L508 PolarHBondContact O-N 3.18Å
493Y91.4Very high92.9Very high50 Ų5028.6 Ų28.620%0.19614%0.137CC..EExtended strand (participates in β ladder)trans-124.4146.6-172.5-54.6-66.4000112.1S488 W506 D507 F514 I550S488-Y493 PolarHBondContact N-O 2.92Å; S488-Y493 PolarHBondContact OG-N 2.8Å; S488-Y493 PolarHBondContact OG-O 2.98Å; S488-Y493 VanDerWaalsContact OG-O 3.05Å; Y493-W506 VanDerWaalsContact CA-O 3.29Å; Y493-W506 WeakPolarHBondContact CA-O 3.25Å; Y493-D507 HydrophobicContact CE1-CB 4.5Å; Y493-F514 HydrophobicContact CD1-CD1 4.43Å; Y493-F514 HydrophobicContact CE1-CD1 4.12Å; Y493-F514 HydrophobicContact CE1-CD2 4.4Å; Y493-F514 HydrophobicContact CE1-CE1 4.39Å; Y493-F514 HydrophobicContact CE1-CG 4.13Å; Y493-I550 HydrophobicContact CD2-CD1 4.17Å; Y493-I550 HydrophobicContact CE2-CD1 4.43Å
494L95.6Very high92.9Very high0 Ų026.5 Ų26.50%013%0.126CC..EExtended strand (participates in β ladder)trans-117.4124167.8174.164.2000108.2A453 V461 F475 L485 F487 L505 W506 L508A453-L494 HydrophobicContact CB-CD1 3.98Å; A453-L494 HydrophobicContact CB-CD2 3.85Å; V461-L494 HydrophobicContact CG1-CD2 3.85Å; F475-L494 HydrophobicContact CD2-CD2 4.19Å; F475-L494 HydrophobicContact CE2-CD2 3.83Å; L485-L494 HydrophobicContact CD2-CD1 4.19Å; L485-L494 HydrophobicContact CD2-CG 4.49Å; F487-L494 HydrophobicContact CD1-CB 4.22Å; F487-L494 HydrophobicContact CD1-CD1 3.96Å; F487-L494 HydrophobicContact CD2-CD1 4.09Å; F487-L494 HydrophobicContact CE1-CB 4.08Å; F487-L494 HydrophobicContact CE1-CD1 3.83Å; F487-L494 HydrophobicContact CE1-CD2 4.45Å; F487-L494 HydrophobicContact CE1-CG 4.35Å; F487-L494 HydrophobicContact CE2-CD1 3.98Å; F487-L494 HydrophobicContact CG-CD1 4.11Å; F487-L494 HydrophobicContact CZ-CD1 3.88Å; F487-L494 HydrophobicContact CZ-CD2 4.48Å; L494-L505 WeakPolarHBondContact O-CA 3.32Å; L494-W506 HydrophobicContact CB-CB 4.41Å; L494-W506 PolarHBondContact N-O 2.87Å; L494-W506 PolarHBondContact O-N 3.39Å; L494-L508 HydrophobicContact CB-CD1 4.37Å; L494-L508 HydrophobicContact CB-CD2 3.77Å; L494-L508 HydrophobicContact CB-CG 4.14Å; L494-L508 HydrophobicContact CD2-CD2 4.36Å
495A96.7Very high92.8Very high0 Ų026.3 Ų26.30%012%0.124CC..EExtended strand (participates in β ladder)trans-92.3136.6168.600000109.5L485 A486 V503 K504 L505 L527 F529L485-A495 WeakPolarHBondContact CA-O 3.28Å; A486-A495 PolarHBondContact N-O 2.69Å; A486-A495 PolarHBondContact O-N 3.32Å; A495-V503 HydrophobicContact CB-CG1 4.38Å; A495-K504 CarbonylContact C-O 3.57Å; A495-K504 WeakPolarHBondContact CA-O 3.44Å; A495-L505 HydrophobicContact CB-CD2 3.61Å; A495-L527 HydrophobicContact CB-CD1 3.96Å; A495-F529 HydrophobicContact CB-CD2 4.48Å; A495-F529 HydrophobicContact CB-CE2 3.49Å; A495-F529 VanDerWaalsContact CB-CE2 3.49Å; A495-F529 HydrophobicContact CB-CZ 3.94Å
496S97.3Very high92.6Very high0 Ų026.4 Ų26.40%012%0.124CC..EExtended strand (participates in β ladder)trans-135143.8171.564.90000111.5H478 A484 K504 W506H478-S496 PolarHBondContact CE1-O 2.93Å; H478-S496 PolarHBondContact NE2-OG 3.28Å; A484-S496 WeakPolarHBondContact O-CA 3.43Å; S496-K504 PolarHBondContact N-O 2.88Å; S496-K504 PolarHBondContact O-N 3.04Å; S496-W506 PolarHBondContact OG-NE1 2.86Å
497A96.8Very high92.3Very high0 Ų027.9 Ų27.90%013%0.13CC..EExtended strand (participates in β ladder)trans-153.5165.7179.700000111.5V482 L483 A484 R502 V503 I524 L527V482-A497 WeakPolarHBondContact CG1-O 3.26Å; L483-A497 PolarHBondContact N-O 2.87Å; A484-A497 PolarHBondContact N-O 3.4Å; A484-A497 PolarHBondContact O-N 3.02Å; A497-R502 WeakPolarHBondContact CA-O 3.33Å; A497-V503 HydrophobicContact CB-CG2 4.18Å; A497-I524 HydrophobicContact CB-CB 3.71Å; A497-I524 HydrophobicContact CB-CD1 3.89Å; A497-I524 HydrophobicContact CB-CG1 4.41Å; A497-I524 HydrophobicContact CB-CG2 3.46Å; A497-I524 VanDerWaalsContact CB-CG2 3.46Å; A497-L527 HydrophobicContact CB-CD1 3.66Å; A497-L527 HydrophobicContact CB-CD2 4.24Å; A497-L527 HydrophobicContact CB-CG 4.09Å
498G94.3Very high92Very high0 Ų027 Ų270%013%0.127CC..EExtended strand (participates in β ladder)trans177-137.7175.900000112.4A481 D500 Q501 I524A481-G498 CarbonylContact O-C 3.57Å; A481-G498 VanDerWaalsContact O-CA 3.3Å; A481-G498 WeakPolarHBondContact O-CA 3.28Å; G498-D500 PolarHBondContact O-N 3.37Å; G498-Q501 PolarHBondContact O-N 2.99Å; G498-I524 PolarHBondContact O-N 2.81Å
499E95.8Very high91.4Very high102 Ų10227.7 Ų27.748%0.47713%0.132SC..THydrogen-bonded Turntrans-68-17.7-171.4-64.1178.6155.100114.5A481 L483 Q501A481-E499 HydrophobicContact CB-CG 3.98Å; A481-E499 WeakPolarHBondContact CB-OE2 3.44Å; A481-E499 PolarHBondContact N-OE2 2.86Å; A481-E499 PolarHBondContact O-N 2.8Å; L483-E499 HydrophobicContact CD1-CG 4.02Å; L483-E499 HydrophobicContact CG-CG 4.46Å; E499-Q501 PolarHBondContact O-N 3.07Å
500D93.4Very high91.1Very high24 Ų2426.8 Ų26.813%0.12813%0.129CC..THydrogen-bonded Turntrans-79.31.8176.970.8-1.9000113.8H478 R479 G498 R502H478-D500 WeakPolarHBondContact CA-OD2 3.48Å; H478-D500 WeakPolarHBondContact CB-OD2 3.42Å; H478-D500 IonicContact CE1-OD1 3.6Å; H478-D500 IonicContact CE1-OD2 2.69Å; H478-D500 IonicContact CG-OD2 3.46Å; H478-D500 VanDerWaalsContact ND1-CG 3.3Å; H478-D500 IonicContact ND1-OD1 3.8Å; H478-D500 PolarHBondContact ND1-OD1 3.23Å; H478-D500 VanDerWaalsContact ND1-OD1 3.14Å; H478-D500 IonicContact ND1-OD2 2.64Å; H478-D500 PolarHBondContact ND1-OD2 3.18Å; R479-D500 HydrophobicContact CB-CB 3.98Å; R479-D500 PolarHBondContact N-OD2 3.08Å; G498-D500 PolarHBondContact O-N 3.37Å; D500-R502 WeakPolarHBondContact O-CG 3.49Å; D500-R502 PolarHBondContact O-N 2.89Å; D500-R502 PolarHBondContact OD1-N 2.89Å
501Q94Very high91.1Very high60 Ų6025.8 Ų25.828%0.2813%0.13SC..SBendtrans6225.8173.8-37.8176.2-18.500112.1G498 E499 H520 A521 D522G498-Q501 PolarHBondContact O-N 2.99Å; E499-Q501 PolarHBondContact O-N 3.07Å; Q501-H520 HydrophobicContact CB-CB 4.4Å; Q501-A521 PolarHBondContact NE2-O 3.31Å; Q501-A521 PolarHBondContact OE1-O 2.97Å; Q501-D522 WeakPolarHBondContact CG-O 3.28Å
502R93.4Very high91.1Very high66 Ų6629.1 Ų29.125%0.24915%0.15CC..EExtended strand (participates in β ladder)trans-124.3134.6179.7-60.5-62.7174.7-108.32.8109.7A497 D500 E516A497-R502 WeakPolarHBondContact CA-O 3.33Å; D500-R502 WeakPolarHBondContact O-CG 3.49Å; D500-R502 PolarHBondContact O-N 2.89Å; D500-R502 PolarHBondContact OD1-N 2.89Å; R502-E516 HydrophobicContact CB-CG 4.29Å; R502-E516 HydrophobicContact CG-CG 4.46Å; R502-E516 IonicContact NE-OE1 3.6Å
503V95.8Very high91.3Very high1 Ų127 Ų271%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-91.8122.7164-172.60000107.4A495 A497 E516 L517 I524 L527A495-V503 HydrophobicContact CB-CG1 4.38Å; A497-V503 HydrophobicContact CB-CG2 4.18Å; V503-E516 CarbonylContact O-C 3.4Å; V503-E516 WeakPolarHBondContact O-CA 3.37Å; V503-L517 HydrophobicContact CB-CB 4.06Å; V503-L517 HydrophobicContact CB-CD1 4.03Å; V503-L517 HydrophobicContact CB-CG 4.36Å; V503-L517 HydrophobicContact CG1-CD1 4.07Å; V503-L517 PolarHBondContact N-O 2.8Å; V503-L517 PolarHBondContact O-N 2.83Å; V503-I524 HydrophobicContact CG2-CD1 3.69Å; V503-L527 HydrophobicContact CG1-CD1 4.41Å; V503-L527 HydrophobicContact CG1-CD2 3.9Å; V503-L527 HydrophobicContact CG2-CD2 4Å
504K95.2Very high91.1Very high10 Ų1028.7 Ų28.74%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-108.2128.4175.8-72.3-177.4178.4-74.60109G477 A495 S496 W506 L513 E516G477-K504 WeakPolarHBondContact O-CE 3.41Å; A495-K504 CarbonylContact C-O 3.57Å; A495-K504 WeakPolarHBondContact CA-O 3.44Å; S496-K504 PolarHBondContact N-O 2.88Å; S496-K504 PolarHBondContact O-N 3.04Å; K504-W506 HydrophobicContact CB-CZ2 3.95Å; K504-W506 HydrophobicContact CD-CH2 4.32Å; K504-W506 HydrophobicContact CD-CZ2 3.72Å; K504-W506 HydrophobicContact CG-CZ2 4.44Å; K504-L513 HydrophobicContact CB-CD1 3.64Å; K504-L513 HydrophobicContact CD-CD1 4.12Å; K504-L513 HydrophobicContact CG-CD1 3.84Å; K504-E516 HydrophobicContact CG-CG 4.37Å; K504-E516 IonicContact NZ-OE2 3.42Å; K504-E516 PolarHBondContact NZ-OE2 3.26Å
505L94.8Very high90.9Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-103.2124.2174-68.6167.6000108.7L494 A495 F514 K515 L517 F529 V536 I550L494-L505 WeakPolarHBondContact O-CA 3.32Å; A495-L505 HydrophobicContact CB-CD2 3.61Å; L505-F514 HydrophobicContact CB-CB 4.47Å; L505-F514 HydrophobicContact CB-CD1 4.28Å; L505-F514 WeakPolarHBondContact O-CA 3.14Å; L505-F514 WeakPolarHBondContact O-CB 3.49Å; L505-F514 PolarHBondContact O-N 2.91Å; L505-K515 HydrophobicContact CB-CB 4.27Å; L505-K515 HydrophobicContact CD1-CB 4.15Å; L505-K515 PolarHBondContact N-O 2.88Å; L505-K515 PolarHBondContact O-N 3.29Å; L505-L517 HydrophobicContact CD1-CD1 4.1Å; L505-L517 HydrophobicContact CD1-CG 4.49Å; L505-F529 HydrophobicContact CD2-CE1 4.39Å; L505-F529 HydrophobicContact CD2-CE2 4.49Å; L505-F529 HydrophobicContact CD2-CZ 3.66Å; L505-V536 HydrophobicContact CD2-CG2 4.2Å; L505-I550 HydrophobicContact CD1-CB 4.02Å; L505-I550 HydrophobicContact CD1-CG2 3.32Å
506W93.7Very high90.7Very high8 Ų832.8 Ų32.83%0.0317%0.171CC..EExtended strand (participates in β ladder)trans-108.1132.8-179.6-53.495.1000109.3F475 T476 Y493 L494 S496 K504 L508 L513F475-W506 HydrophobicContact CB-CD2 3.84Å; F475-W506 HydrophobicContact CB-CE3 3.94Å; F475-W506 HydrophobicContact CB-CG 4.42Å; F475-W506 HydrophobicContact CB-CH2 4.09Å; F475-W506 HydrophobicContact CB-CZ2 3.99Å; F475-W506 HydrophobicContact CB-CZ3 4.06Å; F475-W506 HydrophobicContact CD1-CB 4.01Å; F475-W506 AromaticContact CD1-CD2 3.72Å; F475-W506 HydrophobicContact CD1-CD2 3.72Å; F475-W506 AromaticContact CD1-CE3 3.52Å; F475-W506 HydrophobicContact CD1-CE3 3.52Å; F475-W506 AromaticContact CD1-CG 3.93Å; F475-W506 HydrophobicContact CD1-CG 3.93Å; F475-W506 HydrophobicContact CD1-CZ3 4.23Å; F475-W506 HydrophobicContact CE1-CB 3.89Å; F475-W506 HydrophobicContact CE1-CD2 4.49Å; F475-W506 HydrophobicContact CE1-CE3 4.37Å; F475-W506 HydrophobicContact CE1-CG 4.31Å; F475-W506 HydrophobicContact CG-CB 4.49Å; F475-W506 AromaticContact CG-CD2 3.89Å; F475-W506 HydrophobicContact CG-CD2 3.89Å; F475-W506 HydrophobicContact CG-CE3 4.04Å; F475-W506 HydrophobicContact CG-CG 4.07Å; F475-W506 HydrophobicContact CZ-CB 4.3Å; T476-W506 WeakPolarHBondContact O-CH2 3.22Å; Y493-W506 VanDerWaalsContact CA-O 3.29Å; Y493-W506 WeakPolarHBondContact CA-O 3.25Å; L494-W506 HydrophobicContact CB-CB 4.41Å; L494-W506 PolarHBondContact N-O 2.87Å; L494-W506 PolarHBondContact O-N 3.39Å; S496-W506 PolarHBondContact OG-NE1 2.86Å; K504-W506 HydrophobicContact CB-CZ2 3.95Å; K504-W506 HydrophobicContact CD-CH2 4.32Å; K504-W506 HydrophobicContact CD-CZ2 3.72Å; K504-W506 HydrophobicContact CG-CZ2 4.44Å; W506-L508 PolarHBondContact O-N 2.85Å; W506-L513 HydrophobicContact CD2-CD1 4.22Å; W506-L513 HydrophobicContact CE3-CB 3.97Å; W506-L513 HydrophobicContact CE3-CD1 4.14Å; W506-L513 HydrophobicContact CH2-CB 4.31Å; W506-L513 HydrophobicContact CH2-CD1 4.02Å; W506-L513 HydrophobicContact CZ2-CD1 4.09Å; W506-L513 HydrophobicContact CZ3-CB 3.69Å; W506-L513 HydrophobicContact CZ3-CD1 4.05Å; W506-L513 HydrophobicContact CZ3-CG 4.46Å
507D89.8Confident90.4Very high39 Ų3932.8 Ų32.821%0.20917%0.172CC..EExtended strand (participates in β ladder)trans-79.2115.9169-176.1-35.4000108.6R473 Y493 A509 A510 G511 T512 F514R473-D507 PolarHBondContact NH1-O 2.98Å; Y493-D507 HydrophobicContact CE1-CB 4.5Å; D507-A509 PolarHBondContact O-N 2.79Å; D507-A509 WeakPolarHBondContact OD1-CA 3.45Å; D507-A509 VanDerWaalsContact OD1-CB 3.28Å; D507-A509 WeakPolarHBondContact OD1-CB 3.47Å; D507-A509 PolarHBondContact OD1-N 3.22Å; D507-A510 HydrophobicContact CB-CB 4.05Å; D507-A510 PolarHBondContact O-N 2.81Å; D507-A510 PolarHBondContact OD1-N 3.36Å; D507-G511 WeakPolarHBondContact O-CA 3.09Å; D507-G511 PolarHBondContact O-N 3.13Å; D507-T512 PolarHBondContact N-O 2.8Å; D507-F514 HydrophobicContact CB-CB 4.38Å
508L86.7Confident90.1Very high1 Ų138.5 Ų38.51%0.00519%0.193CC..THydrogen-bonded Turntrans-74.8-8.1-178.1-67.3173.6000113.7V47 L463 R473 F475 F487 G491 K492 L494 W506V47-L508 HydrophobicContact CG1-CB 3.88Å; V47-L508 WeakPolarHBondContact CG1-O 3.48Å; L463-L508 HydrophobicContact CD2-CD2 4.13Å; R473-L508 PolarHBondContact NH1-O 3.15Å; R473-L508 PolarHBondContact NH2-O 3.01Å; F475-L508 HydrophobicContact CE2-CD2 4.36Å; F475-L508 HydrophobicContact CZ-CD2 3.94Å; F487-L508 HydrophobicContact CD1-CD1 3.65Å; F487-L508 HydrophobicContact CE1-CD1 3.5Å; F487-L508 HydrophobicContact CE1-CD2 4.12Å; F487-L508 HydrophobicContact CE1-CG 4.43Å; G491-L508 WeakPolarHBondContact O-CD1 3.47Å; K492-L508 WeakPolarHBondContact O-CB 3.48Å; K492-L508 PolarHBondContact O-N 3.18Å; L494-L508 HydrophobicContact CB-CD1 4.37Å; L494-L508 HydrophobicContact CB-CD2 3.77Å; L494-L508 HydrophobicContact CB-CG 4.14Å; L494-L508 HydrophobicContact CD2-CD2 4.36Å; W506-L508 PolarHBondContact O-N 2.85Å
509A78.2Confident89.7Confident15 Ų1539.5 Ų39.512%0.12420%0.203CC..THydrogen-bonded Turntrans-94.8-44.8169.600000111.8Q48 R473 D507Q48-A509 HydrophobicContact CG-CB 3.37Å; R473-A509 VanDerWaalsContact NH1-C 3.33Å; R473-A509 PolarHBondContact NH1-O 3.01Å; R473-A509 PolarHBondContact NH2-O 3.17Å; D507-A509 PolarHBondContact O-N 2.79Å; D507-A509 WeakPolarHBondContact OD1-CA 3.45Å; D507-A509 VanDerWaalsContact OD1-CB 3.28Å; D507-A509 WeakPolarHBondContact OD1-CB 3.47Å; D507-A509 PolarHBondContact OD1-N 3.22Å
510A79.6Confident89.5Confident24 Ų2435 Ų3520%0.19818%0.182CC..THydrogen-bonded Turntrans-83.4-21.4-178.100000113.8Q36 D507 T512Q36-A510 VanDerWaalsContact NE2-CA 3.3Å; Q36-A510 PolarHBondContact NE2-O 3.18Å; D507-A510 HydrophobicContact CB-CB 4.05Å; D507-A510 PolarHBondContact O-N 2.81Å; D507-A510 PolarHBondContact OD1-N 3.36Å; A510-T512 WeakPolarHBondContact CB-OG1 3.48Å; A510-T512 PolarHBondContact O-N 2.91Å
511G80.1Confident89.4Confident29 Ų2937.2 Ų37.230%0.29920%0.204SC..  trans76.310.2178.300000112.2D507D507-G511 WeakPolarHBondContact O-CA 3.09Å; D507-G511 PolarHBondContact O-N 3.13Å
512T84.4Confident89.3Confident69 Ų6937.3 Ų37.342%0.42321%0.206SC..SBendtrans-114.6156.6-172.454.20000110.6D507 A510 F514D507-T512 PolarHBondContact N-O 2.8Å; A510-T512 WeakPolarHBondContact CB-OG1 3.48Å; A510-T512 PolarHBondContact O-N 2.91Å; T512-F514 PolarHBondContact O-N 3.34Å; T512-F514 VanDerWaalsContact O-N 3.17Å
513L89.8Confident89.3Confident70 Ų7035 Ų3537%0.36620%0.2SC..EExtended strand (participates in β ladder)trans-61.6116.6169-174.769.9000109.2K504 W506 K515 E516K504-L513 HydrophobicContact CB-CD1 3.64Å; K504-L513 HydrophobicContact CD-CD1 4.12Å; K504-L513 HydrophobicContact CG-CD1 3.84Å; W506-L513 HydrophobicContact CD2-CD1 4.22Å; W506-L513 HydrophobicContact CE3-CB 3.97Å; W506-L513 HydrophobicContact CE3-CD1 4.14Å; W506-L513 HydrophobicContact CH2-CB 4.31Å; W506-L513 HydrophobicContact CH2-CD1 4.02Å; W506-L513 HydrophobicContact CZ2-CD1 4.09Å; W506-L513 HydrophobicContact CZ3-CB 3.69Å; W506-L513 HydrophobicContact CZ3-CD1 4.05Å; W506-L513 HydrophobicContact CZ3-CG 4.46Å; L513-K515 WeakPolarHBondContact CD1-O 3.48Å; L513-E516 HydrophobicContact CD2-CB 4.43Å
514F88.9Confident89.2Confident84 Ų8434.9 Ų34.937%0.36820%0.2SC..EExtended strand (participates in β ladder)trans-79.4-52.2173.9175.5-114.2000110.7Y493 L505 D507 T512Y493-F514 HydrophobicContact CD1-CD1 4.43Å; Y493-F514 HydrophobicContact CE1-CD1 4.12Å; Y493-F514 HydrophobicContact CE1-CD2 4.4Å; Y493-F514 HydrophobicContact CE1-CE1 4.39Å; Y493-F514 HydrophobicContact CE1-CG 4.13Å; L505-F514 HydrophobicContact CB-CB 4.47Å; L505-F514 HydrophobicContact CB-CD1 4.28Å; L505-F514 WeakPolarHBondContact O-CA 3.14Å; L505-F514 WeakPolarHBondContact O-CB 3.49Å; L505-F514 PolarHBondContact O-N 2.91Å; D507-F514 HydrophobicContact CB-CB 4.38Å; T512-F514 PolarHBondContact O-N 3.34Å; T512-F514 VanDerWaalsContact O-N 3.17Å
515K90Very high89.1Confident29 Ų2936.2 Ų36.213%0.12621%0.209CC..EExtended strand (participates in β ladder)trans-146.6153.9-179.4-77.2-172.5172.6-153.30112.4L505 L513 S552 E566L505-K515 HydrophobicContact CB-CB 4.27Å; L505-K515 HydrophobicContact CD1-CB 4.15Å; L505-K515 PolarHBondContact N-O 2.88Å; L505-K515 PolarHBondContact O-N 3.29Å; L513-K515 WeakPolarHBondContact CD1-O 3.48Å; K515-S552 PolarHBondContact NZ-O 3.08Å; K515-E566 HydrophobicContact CD-CG 4.47Å; K515-E566 VanDerWaalsContact NZ-CG 3.34Å; K515-E566 IonicContact NZ-OE1 3.52Å; K515-E566 PolarHBondContact NZ-OE1 2.82Å
516E92Very high89Confident57 Ų5736.6 Ų36.627%0.26621%0.211SC..EExtended strand (participates in β ladder)trans-124.1114.8170.1-176.8-177130.100108.7R502 V503 K504 L513 R518R502-E516 HydrophobicContact CB-CG 4.29Å; R502-E516 HydrophobicContact CG-CG 4.46Å; R502-E516 IonicContact NE-OE1 3.6Å; V503-E516 CarbonylContact O-C 3.4Å; V503-E516 WeakPolarHBondContact O-CA 3.37Å; K504-E516 HydrophobicContact CG-CG 4.37Å; K504-E516 IonicContact NZ-OE2 3.42Å; K504-E516 PolarHBondContact NZ-OE2 3.26Å; L513-E516 HydrophobicContact CD2-CB 4.43Å; E516-R518 IonicContact OE1-CZ 3.41Å; E516-R518 VanDerWaalsContact OE1-CZ 3.26Å; E516-R518 IonicContact OE1-NE 2.8Å; E516-R518 PolarHBondContact OE1-NE 3.37Å; E516-R518 IonicContact OE1-NH2 3.88Å; E516-R518 PolarHBondContact OE1-NH2 2.85Å
517L91.4Very high89.1Confident1 Ų136.8 Ų36.81%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-93.2134.2-179.4-47171000109.2V503 L505 W548 E566V503-L517 HydrophobicContact CB-CB 4.06Å; V503-L517 HydrophobicContact CB-CD1 4.03Å; V503-L517 HydrophobicContact CB-CG 4.36Å; V503-L517 HydrophobicContact CG1-CD1 4.07Å; V503-L517 PolarHBondContact N-O 2.8Å; V503-L517 PolarHBondContact O-N 2.83Å; L505-L517 HydrophobicContact CD1-CD1 4.1Å; L505-L517 HydrophobicContact CD1-CG 4.49Å; L517-W548 HydrophobicContact CB-CD2 4.12Å; L517-W548 HydrophobicContact CB-CE3 4.02Å; L517-W548 HydrophobicContact CB-CZ3 4.27Å; L517-W548 HydrophobicContact CD1-CB 3.72Å; L517-W548 HydrophobicContact CD1-CD2 4Å; L517-W548 HydrophobicContact CD1-CE3 4.48Å; L517-W548 HydrophobicContact CD1-CG 3.65Å; L517-E566 HydrophobicContact CD2-CB 3.74Å; L517-E566 HydrophobicContact CD2-CG 3.9Å
518R91.2Very high89.3Confident119 Ų11935.7 Ų35.745%0.44921%0.209SC..EExtended strand (participates in β ladder)trans-125.6137.2-173.8-57.5-165167.8165.13109.6E516 W548 S563 S564E516-R518 IonicContact OE1-CZ 3.41Å; E516-R518 VanDerWaalsContact OE1-CZ 3.26Å; E516-R518 IonicContact OE1-NE 2.8Å; E516-R518 PolarHBondContact OE1-NE 3.37Å; E516-R518 IonicContact OE1-NH2 3.88Å; E516-R518 PolarHBondContact OE1-NH2 2.85Å; R518-W548 WeakPolarHBondContact O-CH2 3.28Å; R518-W548 WeakPolarHBondContact O-CZ3 3.47Å; R518-S563 CarbonylContact O-C 3.52Å; R518-S563 VanDerWaalsContact O-CA 3.26Å; R518-S563 WeakPolarHBondContact O-CA 3.4Å; R518-S564 PolarHBondContact N-OG 3.24Å; R518-S564 PolarHBondContact O-N 3.07Å; R518-S564 PolarHBondContact O-OG 2.85Å
519G86.1Confident89.6Confident21 Ų2136.2 Ų36.222%0.21621%0.211CC..  trans159.3-21.9172.900000114.2R546G519-R546 PolarHBondContact O-NH1 2.84Å; G519-R546 PolarHBondContact O-NH2 3.42Å
520H91Very high90.1Very high8 Ų835.5 Ų35.54%0.03721%0.205CC..  trans-65.6141.1171.1-77.5-75.9000112.7Q501 I524 S538 S540 D542 R546 W548Q501-H520 HydrophobicContact CB-CB 4.4Å; H520-I524 HydrophobicContact CB-CD1 4.1Å; H520-I524 HydrophobicContact CB-CG1 3.98Å; H520-S538 PolarHBondContact NE2-OG 2.9Å; H520-S540 VanDerWaalsContact CE1-CB 3.49Å; H520-S540 WeakPolarHBondContact CE1-CB 3.3Å; H520-S540 WeakPolarHBondContact ND1-CB 3.28Å; H520-D542 IonicContact CG-OD2 3.47Å; H520-D542 IonicContact ND1-OD1 3.83Å; H520-D542 IonicContact ND1-OD2 3.79Å; H520-D542 PolarHBondContact ND1-OD2 3.3Å; H520-R546 VanDerWaalsContact CA-NH1 3.26Å; H520-R546 PolarHBondContact CE1-NH1 3.07Å; H520-R546 VanDerWaalsContact CE1-NH1 3.34Å; H520-R546 VanDerWaalsContact CG-NH1 3.32Å; H520-R546 PolarHBondContact ND1-NH1 2.91Å; H520-W548 AromaticContact CD2-CZ2 3.96Å
521A90.3Very high90.3Very high70 Ų7037 Ų3758%0.57921%0.213SC*.SBendtrans-96.9-14.917900000112.3Q501 D542Q501-A521 PolarHBondContact NE2-O 3.31Å; Q501-A521 PolarHBondContact OE1-O 2.97Å; A521-D542 HydrophobicContact CB-CB 4.2Å; A521-D542 PolarHBondContact N-OD2 2.83Å; A521-D542 VanDerWaalsContact N-OD2 3.08Å
522D92.3Very high90.3Very high62 Ų6239.7 Ų39.733%0.33222%0.22SC..SBendtrans-141.7-178.9177.6-147.2-27.7000111.1Q501 S540 I541 D542Q501-D522 WeakPolarHBondContact CG-O 3.28Å; D522-S540 VanDerWaalsContact C-OG 3.3Å; D522-S540 PolarHBondContact O-OG 2.93Å; D522-S540 VanDerWaalsContact O-OG 3.06Å; D522-I541 HydrophobicContact CB-CB 4.2Å; D522-D542 HydrophobicContact CB-CB 3.97Å
523S93.2Very high90.3Very high17 Ų1736.9 Ų36.912%0.11920%0.203CC..  trans-56139.8-177.9-53.90000111.1S540 I541S523-S540 WeakPolarHBondContact O-CA 3.42Å; S523-S540 VanDerWaalsContact O-CB 3.24Å; S523-S540 WeakPolarHBondContact O-CB 3.45Å; S523-S540 PolarHBondContact O-OG 3.32Å; S523-I541 PolarHBondContact O-N 3.45Å
524I94.9Very high90.1Very high0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-96.4123.9-178.7-60.8166.9000107.9A497 G498 V503 H520 L527 S539A497-I524 HydrophobicContact CB-CB 3.71Å; A497-I524 HydrophobicContact CB-CD1 3.89Å; A497-I524 HydrophobicContact CB-CG1 4.41Å; A497-I524 HydrophobicContact CB-CG2 3.46Å; A497-I524 VanDerWaalsContact CB-CG2 3.46Å; G498-I524 PolarHBondContact O-N 2.81Å; V503-I524 HydrophobicContact CG2-CD1 3.69Å; H520-I524 HydrophobicContact CB-CD1 4.1Å; H520-I524 HydrophobicContact CB-CG1 3.98Å; I524-L527 HydrophobicContact CG2-CD2 4.3Å; I524-S539 CarbonylContact C-O 3.6Å; I524-S539 VanDerWaalsContact CA-O 3.31Å; I524-S539 WeakPolarHBondContact CA-O 3.25Å; I524-S539 VanDerWaalsContact CG2-O 3.25Å; I524-S539 WeakPolarHBondContact CG2-O 3.44Å
525T92.2Very high90.2Very high37 Ų3730.1 Ų30.123%0.22717%0.172CC..EExtended strand (participates in β ladder)trans-102.5-31.2-169.249.50000113.3S539 I541 V578T525-S539 PolarHBondContact N-O 2.89Å; T525-I541 HydrophobicContact CG2-CD1 4.21Å; T525-I541 HydrophobicContact CG2-CG1 3.64Å; T525-V578 PolarHBondContact OG1-O 2.75Å; T525-V578 VanDerWaalsContact OG1-O 3.11Å
526S93.4Very high90.3Very high8 Ų828.8 Ų28.86%0.05617%0.166CC..EExtended strand (participates in β ladder)trans-145.6151.1177.3179.30000112.6S538 S539 N580 V581S526-S538 WeakPolarHBondContact O-CA 3.29Å; S526-S539 WeakPolarHBondContact CB-OG 3.26Å; S526-S539 PolarHBondContact N-OG 3.38Å; S526-S539 PolarHBondContact O-N 2.83Å; S526-S539 PolarHBondContact O-OG 2.98Å; S526-N580 PolarHBondContact OG-OD1 3.44Å; S526-V581 PolarHBondContact OG-N 2.79Å
527L96.2Very high90.4Very high12 Ų1226 Ų266%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-133.4142.7-179.8-72.9174.1000110.2A484 A486 A495 A497 V503 I524 V536 A537A484-L527 HydrophobicContact CB-CB 4.32Å; A484-L527 HydrophobicContact CB-CD1 4.05Å; A484-L527 HydrophobicContact CB-CG 3.9Å; A486-L527 HydrophobicContact CB-CB 3.84Å; A495-L527 HydrophobicContact CB-CD1 3.96Å; A497-L527 HydrophobicContact CB-CD1 3.66Å; A497-L527 HydrophobicContact CB-CD2 4.24Å; A497-L527 HydrophobicContact CB-CG 4.09Å; V503-L527 HydrophobicContact CG1-CD1 4.41Å; V503-L527 HydrophobicContact CG1-CD2 3.9Å; V503-L527 HydrophobicContact CG2-CD2 4Å; I524-L527 HydrophobicContact CG2-CD2 4.3Å; L527-V536 HydrophobicContact CD2-CG1 4.22Å; L527-A537 WeakPolarHBondContact CA-O 3.33Å
528S94.2Very high90.5Very high17 Ų1726 Ų2612%0.11915%0.153CC..EExtended strand (participates in β ladder)trans-145.3142.4169.8-173.70000111.2V536 A537 V581 F583S528-V536 WeakPolarHBondContact O-CA 3.48Å; S528-A537 PolarHBondContact N-O 3.02Å; S528-A537 PolarHBondContact O-N 2.84Å; S528-V581 WeakPolarHBondContact CB-O 3.23Å; S528-F583 PolarHBondContact OG-N 3.06Å
529F92.1Very high90.5Very high11 Ų1120.3 Ų20.35%0.04813%0.132CC..EExtended strand (participates in β ladder)trans-91.3147.7169.7-87.9-89.7000111.3A486 F487 P489 A495 L505 V536 I550 F583A486-F529 HydrophobicContact CB-CD2 3.86Å; A486-F529 HydrophobicContact CB-CE2 4.26Å; A486-F529 VanDerWaalsContact O-CE2 3.31Å; A486-F529 WeakPolarHBondContact O-CE2 3.2Å; F487-F529 VanDerWaalsContact O-CD2 3.27Å; F487-F529 WeakPolarHBondContact O-CD2 3Å; P489-F529 HydrophobicContact CG-CB 4.44Å; A495-F529 HydrophobicContact CB-CD2 4.48Å; A495-F529 HydrophobicContact CB-CE2 3.49Å; A495-F529 VanDerWaalsContact CB-CE2 3.49Å; A495-F529 HydrophobicContact CB-CZ 3.94Å; L505-F529 HydrophobicContact CD2-CE1 4.39Å; L505-F529 HydrophobicContact CD2-CE2 4.49Å; L505-F529 HydrophobicContact CD2-CZ 3.66Å; F529-V536 HydrophobicContact CD1-CG2 3.64Å; F529-V536 HydrophobicContact CE1-CG2 3.33Å; F529-V536 HydrophobicContact CE2-CG2 4.25Å; F529-V536 HydrophobicContact CG-CG2 4.24Å; F529-V536 HydrophobicContact CZ-CG2 3.68Å; F529-I550 HydrophobicContact CE1-CD1 3.9Å; F529-F583 VanDerWaalsContact O-CB 3.23Å; F529-F583 WeakPolarHBondContact O-CB 3.24Å; F529-F583 VanDerWaalsContact O-CD2 3.28Å; F529-F583 WeakPolarHBondContact O-CD2 3.4Å
530S89Confident90.8Very high0 Ų019.3 Ų19.30%012%0.121CC..  trans-67.3154.216859.60000111.2P489 D532 S533 S534 L535P489-S530 WeakPolarHBondContact CG-O 3.45Å; S530-D532 VanDerWaalsContact CB-OD1 3.29Å; S530-D532 WeakPolarHBondContact CB-OD1 3.23Å; S530-D532 PolarHBondContact O-N 3.04Å; S530-D532 VanDerWaalsContact O-N 3.12Å; S530-D532 PolarHBondContact OG-OD1 3.21Å; S530-S533 WeakPolarHBondContact O-CA 3.47Å; S530-S533 PolarHBondContact O-N 3.38Å; S530-S534 PolarHBondContact OG-N 3.17Å; S530-L535 PolarHBondContact N-O 3.49Å; S530-L535 PolarHBondContact OG-N 3.28Å; S530-L535 PolarHBondContact OG-O 2.87Å
531P82.6Confident90.7Very high56 Ų5622.7 Ų22.736%0.36414%0.139SC..THydrogen-bonded Turntrans-58.6-28.4-178-26.235.8000114.3S533 M584P531-S533 VanDerWaalsContact C-N 3.32Å; P531-M584 WeakPolarHBondContact CG-O 3.47Å
532D80.1Confident90.6Very high86 Ų8621.2 Ų21.246%0.4612%0.121SC..THydrogen-bonded Turntrans-86.50.4176.970.1-14.2000113.7S530 S534S530-D532 VanDerWaalsContact CB-OD1 3.29Å; S530-D532 WeakPolarHBondContact CB-OD1 3.23Å; S530-D532 PolarHBondContact O-N 3.04Å; S530-D532 VanDerWaalsContact O-N 3.12Å; S530-D532 PolarHBondContact OG-OD1 3.21Å; D532-S534 PolarHBondContact O-N 2.75Å; D532-S534 PolarHBondContact OD1-N 2.76Å; D532-S534 PolarHBondContact OD1-OG 2.62Å; D532-S534 WeakPolarHBondContact OD2-CB 3.33Å; D532-S534 PolarHBondContact OD2-OG 3.37Å
533S85.9Confident90.4Very high9 Ų921 Ų216%0.06312%0.12CC..SBendtrans59.821.6-176.3-47.70000114.9P489 N490 S530 P531 I550P489-S533 VanDerWaalsContact CD-OG 3.27Å; P489-S533 WeakPolarHBondContact CD-OG 3.49Å; N490-S533 PolarHBondContact N-OG 2.9Å; N490-S533 VanDerWaalsContact ND2-CB 3.31Å; N490-S533 WeakPolarHBondContact ND2-CB 3.44Å; S530-S533 WeakPolarHBondContact O-CA 3.47Å; S530-S533 PolarHBondContact O-N 3.38Å; P531-S533 VanDerWaalsContact C-N 3.32Å; S533-I550 WeakPolarHBondContact O-CD1 3.48Å
534S85.1Confident90.2Very high9 Ų920.2 Ų20.26%0.06311%0.114CC..SBendtrans-92.8-28.9-179.770.60000113.8S530 D532 I550S530-S534 PolarHBondContact OG-N 3.17Å; D532-S534 PolarHBondContact O-N 2.75Å; D532-S534 PolarHBondContact OD1-N 2.76Å; D532-S534 PolarHBondContact OD1-OG 2.62Å; D532-S534 WeakPolarHBondContact OD2-CB 3.33Å; D532-S534 PolarHBondContact OD2-OG 3.37Å; S534-I550 WeakPolarHBondContact O-CG1 3.5Å; S534-I550 PolarHBondContact O-N 2.74Å; S534-I550 VanDerWaalsContact O-N 3.1Å
535L89.9Confident90.1Very high4 Ų420.2 Ų20.22%0.02111%0.114CC..EExtended strand (participates in β ladder)trans-118.5151.6-177.2-57.3177.5000111.2P265 T268 S530 V547 W548 D549 V568 F583P265-L535 HydrophobicContact CB-CD2 3.88Å; T268-L535 HydrophobicContact CG2-CD1 3.56Å; S530-L535 PolarHBondContact N-O 3.49Å; S530-L535 PolarHBondContact OG-N 3.28Å; S530-L535 PolarHBondContact OG-O 2.87Å; L535-V547 HydrophobicContact CB-CG1 4.27Å; L535-V547 HydrophobicContact CD1-CG1 4.1Å; L535-V547 HydrophobicContact CD2-CG1 4.43Å; L535-W548 CarbonylContact C-O 3.56Å; L535-W548 VanDerWaalsContact CA-O 3.26Å; L535-W548 WeakPolarHBondContact CA-O 3.23Å; L535-D549 HydrophobicContact CD2-CB 3.9Å; L535-V568 HydrophobicContact CD2-CG2 4.38Å; L535-F583 HydrophobicContact CB-CZ 4.28Å
536V92.9Very high90Very high0 Ų019.2 Ų19.20%011%0.107CC..EExtended strand (participates in β ladder)trans-122.6134.2168.4176.80000107.9L505 L527 S528 F529 V547 W548 I550L505-V536 HydrophobicContact CD2-CG2 4.2Å; L527-V536 HydrophobicContact CD2-CG1 4.22Å; S528-V536 WeakPolarHBondContact O-CA 3.48Å; F529-V536 HydrophobicContact CD1-CG2 3.64Å; F529-V536 HydrophobicContact CE1-CG2 3.33Å; F529-V536 HydrophobicContact CE2-CG2 4.25Å; F529-V536 HydrophobicContact CG-CG2 4.24Å; F529-V536 HydrophobicContact CZ-CG2 3.68Å; V536-V547 CarbonylContact O-C 3.51Å; V536-V547 WeakPolarHBondContact O-CA 3.21Å; V536-W548 HydrophobicContact CB-CB 4.49Å; V536-W548 PolarHBondContact N-O 2.92Å; V536-W548 VanDerWaalsContact O-CD1 3.25Å; V536-W548 PolarHBondContact O-N 2.89Å; V536-I550 HydrophobicContact CB-CG2 4.4Å; V536-I550 HydrophobicContact CG2-CG2 3.72Å
537A93.3Very high90Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-108.5139.7169.600000109.5L527 S528 R546 V547 V581 F583 L589L527-A537 WeakPolarHBondContact CA-O 3.33Å; S528-A537 PolarHBondContact N-O 3.02Å; S528-A537 PolarHBondContact O-N 2.84Å; A537-R546 CarbonylContact C-O 3.56Å; A537-R546 VanDerWaalsContact CA-O 3.31Å; A537-R546 WeakPolarHBondContact CA-O 3.35Å; A537-V547 HydrophobicContact CB-CG2 4.4Å; A537-V581 HydrophobicContact CB-CG1 3.63Å; A537-F583 HydrophobicContact CB-CD2 4.15Å; A537-F583 HydrophobicContact CB-CE2 3.4Å; A537-F583 HydrophobicContact CB-CZ 3.92Å; A537-L589 HydrophobicContact CB-CD1 3.77Å; A537-L589 HydrophobicContact CB-CD2 3.85Å; A537-L589 HydrophobicContact CB-CG 4.47Å
538S93.8Very high89.7Confident0 Ų018.4 Ų18.40%010%0.102CC..EExtended strand (participates in β ladder)trans-132.2140.2177.158.10000110.6H520 S526 V545 R546 W548H520-S538 PolarHBondContact NE2-OG 2.9Å; S526-S538 WeakPolarHBondContact O-CA 3.29Å; S538-V545 CarbonylContact O-C 3.38Å; S538-V545 WeakPolarHBondContact O-CA 3.13Å; S538-R546 PolarHBondContact N-O 3.09Å; S538-R546 PolarHBondContact O-N 3.33Å; S538-W548 PolarHBondContact OG-NE1 2.84Å
539S92.3Very high89.4Confident0 Ų018.2 Ų18.20%010%0.099CC..EExtended strand (participates in β ladder)trans-114.1152.9170.945.30000111I524 T525 S526 V581I524-S539 CarbonylContact C-O 3.6Å; I524-S539 VanDerWaalsContact CA-O 3.31Å; I524-S539 WeakPolarHBondContact CA-O 3.25Å; I524-S539 VanDerWaalsContact CG2-O 3.25Å; I524-S539 WeakPolarHBondContact CG2-O 3.44Å; T525-S539 PolarHBondContact N-O 2.89Å; S526-S539 WeakPolarHBondContact CB-OG 3.26Å; S526-S539 PolarHBondContact N-OG 3.38Å; S526-S539 PolarHBondContact O-N 2.83Å; S526-S539 PolarHBondContact O-OG 2.98Å; S539-V581 VanDerWaalsContact CB-CG2 3.41Å; S539-V581 WeakPolarHBondContact OG-CG2 3.39Å
540S92.1Very high89.1Confident0 Ų018.1 Ų18.10%010%0.099CC..EExtended strand (participates in β ladder)trans-143.4159.5-177.8170.20000111.8H520 D522 S523 D542 N543 S544H520-S540 VanDerWaalsContact CE1-CB 3.49Å; H520-S540 WeakPolarHBondContact CE1-CB 3.3Å; H520-S540 WeakPolarHBondContact ND1-CB 3.28Å; D522-S540 VanDerWaalsContact C-OG 3.3Å; D522-S540 PolarHBondContact O-OG 2.93Å; D522-S540 VanDerWaalsContact O-OG 3.06Å; S523-S540 WeakPolarHBondContact O-CA 3.42Å; S523-S540 VanDerWaalsContact O-CB 3.24Å; S523-S540 WeakPolarHBondContact O-CB 3.45Å; S523-S540 PolarHBondContact O-OG 3.32Å; S540-D542 VanDerWaalsContact CB-OD1 3.24Å; S540-D542 WeakPolarHBondContact CB-OD1 3.32Å; S540-D542 PolarHBondContact O-N 3.27Å; S540-D542 VanDerWaalsContact O-N 3.14Å; S540-D542 VanDerWaalsContact OG-CG 3.29Å; S540-D542 PolarHBondContact OG-N 2.94Å; S540-D542 PolarHBondContact OG-OD1 3.11Å; S540-N543 PolarHBondContact O-N 2.56Å; S540-S544 PolarHBondContact N-O 3.05Å
541I89.7Confident88.7Confident78 Ų7822.2 Ų22.240%0.412%0.115SC..THydrogen-bonded Turntrans-58.7-18.5170.7-55.2-176.4000111.4D522 S523 T525 N543D522-I541 HydrophobicContact CB-CB 4.2Å; S523-I541 PolarHBondContact O-N 3.45Å; T525-I541 HydrophobicContact CG2-CD1 4.21Å; T525-I541 HydrophobicContact CG2-CG1 3.64Å; I541-N543 PolarHBondContact O-N 3.13Å
542D88.4Confident87.9Confident40 Ų4021.4 Ų21.421%0.21411%0.111CC..THydrogen-bonded Turntrans-67.16.4170.473.49.9000114.3H520 A521 D522 S540 S544 R546H520-D542 IonicContact CG-OD2 3.47Å; H520-D542 IonicContact ND1-OD1 3.83Å; H520-D542 IonicContact ND1-OD2 3.79Å; H520-D542 PolarHBondContact ND1-OD2 3.3Å; A521-D542 HydrophobicContact CB-CB 4.2Å; A521-D542 PolarHBondContact N-OD2 2.83Å; A521-D542 VanDerWaalsContact N-OD2 3.08Å; D522-D542 HydrophobicContact CB-CB 3.97Å; S540-D542 VanDerWaalsContact CB-OD1 3.24Å; S540-D542 WeakPolarHBondContact CB-OD1 3.32Å; S540-D542 PolarHBondContact O-N 3.27Å; S540-D542 VanDerWaalsContact O-N 3.14Å; S540-D542 VanDerWaalsContact OG-CG 3.29Å; S540-D542 PolarHBondContact OG-N 2.94Å; S540-D542 PolarHBondContact OG-OD1 3.11Å; D542-S544 VanDerWaalsContact CG-OG 3.23Å; D542-S544 PolarHBondContact O-N 3.09Å; D542-S544 WeakPolarHBondContact OD1-CA 3.16Å; D542-S544 VanDerWaalsContact OD1-CB 3.22Å; D542-S544 WeakPolarHBondContact OD1-CB 3.33Å; D542-S544 PolarHBondContact OD1-N 3.39Å; D542-S544 PolarHBondContact OD1-OG 2.97Å; D542-S544 PolarHBondContact OD2-OG 2.79Å; D542-R546 IonicContact OD1-NH1 3.49Å; D542-R546 IonicContact OD2-CZ 3.91Å; D542-R546 IonicContact OD2-NH1 2.83Å; D542-R546 PolarHBondContact OD2-NH1 2.87Å
543N87.1Confident86.6Confident56 Ų5623.3 Ų23.330%0.29913%0.125SC..SBendtrans60.218.9-177.4-57-48.6000114.1S540 I541 N577S540-N543 PolarHBondContact O-N 2.56Å; I541-N543 PolarHBondContact O-N 3.13Å; N543-N577 PolarHBondContact OD1-N 3.44Å
544S89.4Confident84.7Confident1 Ų129.8 Ų29.81%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-108.5145.4176.179.30000112.5S540 D542 R546 Y571S540-S544 PolarHBondContact N-O 3.05Å; D542-S544 VanDerWaalsContact CG-OG 3.23Å; D542-S544 PolarHBondContact O-N 3.09Å; D542-S544 WeakPolarHBondContact OD1-CA 3.16Å; D542-S544 VanDerWaalsContact OD1-CB 3.22Å; D542-S544 WeakPolarHBondContact OD1-CB 3.33Å; D542-S544 PolarHBondContact OD1-N 3.39Å; D542-S544 PolarHBondContact OD1-OG 2.97Å; D542-S544 PolarHBondContact OD2-OG 2.79Å; S544-R546 PolarHBondContact OG-NH1 2.84Å; S544-Y571 WeakPolarHBondContact CA-O 3.44Å
545V91.7Very high82.8Confident0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-109125.7165.71800000107.8F272 S538 Y571 V578 V581 L589 V591F272-V545 HydrophobicContact CE1-CG2 4.21Å; F272-V545 HydrophobicContact CZ-CG2 4.42Å; S538-V545 CarbonylContact O-C 3.38Å; S538-V545 WeakPolarHBondContact O-CA 3.13Å; V545-Y571 PolarHBondContact N-O 3.01Å; V545-Y571 PolarHBondContact O-N 2.91Å; V545-V578 HydrophobicContact CG2-CG1 4.12Å; V545-V578 HydrophobicContact CG2-CG2 4.43Å; V545-V581 HydrophobicContact CG1-CG2 4.23Å; V545-V581 HydrophobicContact CG2-CG2 4.18Å; V545-L589 HydrophobicContact CG1-CD2 4Å; V545-V591 HydrophobicContact CG1-CG2 4.31Å; V545-V591 HydrophobicContact CG2-CG1 3.78Å; V545-V591 HydrophobicContact CG2-CG2 4.04Å
546R91.8Very high80.5Confident17 Ų1734.4 Ų34.46%0.06420%0.204CC..EExtended strand (participates in β ladder)trans-116.5140.4178.9-69.6-173.117393.7-4.6110.5G519 H520 A537 S538 D542 S544 W548 L567 G569 Q570G519-R546 PolarHBondContact O-NH1 2.84Å; G519-R546 PolarHBondContact O-NH2 3.42Å; H520-R546 VanDerWaalsContact CA-NH1 3.26Å; H520-R546 PolarHBondContact CE1-NH1 3.07Å; H520-R546 VanDerWaalsContact CE1-NH1 3.34Å; H520-R546 VanDerWaalsContact CG-NH1 3.32Å; H520-R546 PolarHBondContact ND1-NH1 2.91Å; A537-R546 CarbonylContact C-O 3.56Å; A537-R546 VanDerWaalsContact CA-O 3.31Å; A537-R546 WeakPolarHBondContact CA-O 3.35Å; S538-R546 PolarHBondContact N-O 3.09Å; S538-R546 PolarHBondContact O-N 3.33Å; D542-R546 IonicContact OD1-NH1 3.49Å; D542-R546 IonicContact OD2-CZ 3.91Å; D542-R546 IonicContact OD2-NH1 2.83Å; D542-R546 PolarHBondContact OD2-NH1 2.87Å; S544-R546 PolarHBondContact OG-NH1 2.84Å; R546-W548 HydrophobicContact CB-CH2 4.46Å; R546-W548 HydrophobicContact CB-CZ2 3.62Å; R546-W548 HydrophobicContact CG-CZ2 4.21Å; R546-L567 HydrophobicContact CB-CD1 3.77Å; R546-L567 HydrophobicContact CG-CD1 3.97Å; R546-G569 WeakPolarHBondContact CA-O 3.25Å; R546-Q570 HydrophobicContact CG-CB 4.19Å; R546-Q570 HydrophobicContact CG-CG 4.07Å; R546-Q570 VanDerWaalsContact NH2-CD 3.32Å; R546-Q570 VanDerWaalsContact NH2-OE1 3.14Å
547V91.6Very high78.3Confident1 Ų138.5 Ų38.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-115.6129.9176.5-178.60000109L535 V536 A537 V568 G569 Y571 L589L535-V547 HydrophobicContact CB-CG1 4.27Å; L535-V547 HydrophobicContact CD1-CG1 4.1Å; L535-V547 HydrophobicContact CD2-CG1 4.43Å; V536-V547 CarbonylContact O-C 3.51Å; V536-V547 WeakPolarHBondContact O-CA 3.21Å; A537-V547 HydrophobicContact CB-CG2 4.4Å; V547-V568 WeakPolarHBondContact O-CB 3.38Å; V547-V568 PolarHBondContact O-N 2.84Å; V547-G569 PolarHBondContact N-O 3.48Å; V547-G569 PolarHBondContact O-N 3.22Å; V547-Y571 HydrophobicContact CB-CE2 4.42Å; V547-Y571 HydrophobicContact CG2-CD2 4.33Å; V547-Y571 HydrophobicContact CG2-CE2 3.86Å; V547-L589 HydrophobicContact CG2-CD2 4.06Å
548W90.8Very high76.4Confident1 Ų142.9 Ų42.90%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-121.5132.2-172.3-45.391.6000110.7L517 R518 H520 L535 V536 S538 R546 S564 E566 L567L517-W548 HydrophobicContact CB-CD2 4.12Å; L517-W548 HydrophobicContact CB-CE3 4.02Å; L517-W548 HydrophobicContact CB-CZ3 4.27Å; L517-W548 HydrophobicContact CD1-CB 3.72Å; L517-W548 HydrophobicContact CD1-CD2 4Å; L517-W548 HydrophobicContact CD1-CE3 4.48Å; L517-W548 HydrophobicContact CD1-CG 3.65Å; R518-W548 WeakPolarHBondContact O-CH2 3.28Å; R518-W548 WeakPolarHBondContact O-CZ3 3.47Å; H520-W548 AromaticContact CD2-CZ2 3.96Å; L535-W548 CarbonylContact C-O 3.56Å; L535-W548 VanDerWaalsContact CA-O 3.26Å; L535-W548 WeakPolarHBondContact CA-O 3.23Å; V536-W548 HydrophobicContact CB-CB 4.49Å; V536-W548 PolarHBondContact N-O 2.92Å; V536-W548 VanDerWaalsContact O-CD1 3.25Å; V536-W548 PolarHBondContact O-N 2.89Å; S538-W548 PolarHBondContact OG-NE1 2.84Å; R546-W548 HydrophobicContact CB-CH2 4.46Å; R546-W548 HydrophobicContact CB-CZ2 3.62Å; R546-W548 HydrophobicContact CG-CZ2 4.21Å; W548-S564 WeakPolarHBondContact CZ3-OG 3.33Å; W548-E566 CarbonylContact C-O 3.59Å; W548-E566 VanDerWaalsContact CA-O 3.28Å; W548-E566 WeakPolarHBondContact CA-O 3.04Å; W548-L567 HydrophobicContact CD2-CD1 4.17Å; W548-L567 HydrophobicContact CE3-CB 3.84Å; W548-L567 HydrophobicContact CE3-CD1 3.88Å; W548-L567 HydrophobicContact CE3-CG 4.47Å; W548-L567 HydrophobicContact CH2-CD1 3.94Å; W548-L567 HydrophobicContact CZ2-CD1 4.23Å; W548-L567 HydrophobicContact CZ3-CB 3.66Å; W548-L567 HydrophobicContact CZ3-CD1 3.75Å; W548-L567 HydrophobicContact CZ3-CG 4.19Å
549D88.8Confident74.7Confident14 Ų1445 Ų458%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-91.4113.2171.6-170.2-21.1000110P265 L535 R551 E566 V568P265-D549 HydrophobicContact CG-CB 4.36Å; L535-D549 HydrophobicContact CD2-CB 3.9Å; D549-R551 WeakPolarHBondContact OD1-CA 3.5Å; D549-R551 VanDerWaalsContact OD1-CB 3.23Å; D549-R551 WeakPolarHBondContact OD1-CB 3.49Å; D549-R551 PolarHBondContact OD1-N 3.26Å; D549-R551 IonicContact OD1-NE 3.19Å; D549-R551 PolarHBondContact OD1-NE 3.34Å; D549-R551 IonicContact OD1-NH2 3.95Å; D549-R551 IonicContact OD2-CZ 3.57Å; D549-R551 IonicContact OD2-NE 3.46Å; D549-R551 PolarHBondContact OD2-NE 3.39Å; D549-R551 IonicContact OD2-NH2 2.82Å; D549-R551 PolarHBondContact OD2-NH2 3.32Å; D549-E566 PolarHBondContact N-O 3.16Å; D549-E566 WeakPolarHBondContact O-CB 3.48Å; D549-E566 WeakPolarHBondContact O-CG 3.38Å; D549-V568 HydrophobicContact CB-CG2 3.58Å
550I85.7Confident72.8Confident8 Ų850.9 Ų50.94%0.04133%0.332CS..SBendtrans-86.9-12.2-176.364.4153.3000112.8Y493 L505 F529 S533 S534 V536Y493-I550 HydrophobicContact CD2-CD1 4.17Å; Y493-I550 HydrophobicContact CE2-CD1 4.43Å; L505-I550 HydrophobicContact CD1-CB 4.02Å; L505-I550 HydrophobicContact CD1-CG2 3.32Å; F529-I550 HydrophobicContact CE1-CD1 3.9Å; S533-I550 WeakPolarHBondContact O-CD1 3.48Å; S534-I550 WeakPolarHBondContact O-CG1 3.5Å; S534-I550 PolarHBondContact O-N 2.74Å; S534-I550 VanDerWaalsContact O-N 3.1Å; V536-I550 HydrophobicContact CB-CG2 4.4Å; V536-I550 HydrophobicContact CG2-CG2 3.72Å
551R79.1Confident71.1Confident86 Ų8656.3 Ų56.333%0.32536%0.362SS..SBendtrans-75.6-28.5177.1-55.5172.7-65.9172.44.5112.3R261 D549 T553R261-R551 PolarHBondContact O-NH1 3.41Å; D549-R551 WeakPolarHBondContact OD1-CA 3.5Å; D549-R551 VanDerWaalsContact OD1-CB 3.23Å; D549-R551 WeakPolarHBondContact OD1-CB 3.49Å; D549-R551 PolarHBondContact OD1-N 3.26Å; D549-R551 IonicContact OD1-NE 3.19Å; D549-R551 PolarHBondContact OD1-NE 3.34Å; D549-R551 IonicContact OD1-NH2 3.95Å; D549-R551 IonicContact OD2-CZ 3.57Å; D549-R551 IonicContact OD2-NE 3.46Å; D549-R551 PolarHBondContact OD2-NE 3.39Å; D549-R551 IonicContact OD2-NH2 2.82Å; D549-R551 PolarHBondContact OD2-NH2 3.32Å; R551-T553 PolarHBondContact O-N 2.82Å
552S65.8Low69.8Low40 Ų4054.8 Ų54.828%0.2837%0.365SS..  trans-59.9103.8-176.6-175.40000109.8K515 H554K515-S552 PolarHBondContact NZ-O 3.08Å; S552-H554 PolarHBondContact O-N 3.25Å
553T53.3Low69Low125 Ų12553.3 Ų53.377%0.76736%0.358SS*.  trans-80.6-5.6177.652.80000112.1R551 G555R551-T553 PolarHBondContact O-N 2.82Å; T553-G555 PolarHBondContact O-N 3.46Å
554H46Very low68.5Low146 Ų14651.2 Ų51.268%0.67635%0.348SS*.  trans-78.2103.2170.6-64.3-17.2000107.4S552 G556S552-H554 PolarHBondContact O-N 3.25Å; H554-G556 PolarHBondContact O-N 2.88Å
555G44.8Very low67.7Low72 Ų7253 Ų5374%0.74237%0.366SS*.  trans-60.273.3152.600000108.1T553 A557T553-G555 PolarHBondContact O-N 3.46Å; G555-A557 PolarHBondContact O-N 3.29Å
556G43.5Very low67.3Low38 Ų3854 Ų5439%0.39237%0.371SS..  trans-52.5138.8169.100000106.9H554H554-G556 PolarHBondContact O-N 2.88Å
557A45.8Very low67Low86 Ų8655.3 Ų55.371%0.71138%0.379SS*.  trans-44.313517100000107.8G555 A559G555-A557 PolarHBondContact O-N 3.29Å; A557-A559 PolarHBondContact O-N 3.23Å
558P53.3Low66.7Low92 Ų9257.8 Ų57.860%0.59739%0.394SS*.  trans-47.3135.1175.420.7-31.5000107.5S563P558-S563 CarbonylContact C-O 3.54Å; P558-S563 VanDerWaalsContact CA-O 3.24Å; P558-S563 WeakPolarHBondContact CA-O 3.44Å
559A57.5Low66.3Low44 Ų4458.4 Ų58.436%0.36440%0.4SS..  trans-55.6161.617700000108.8A557 D561 G562 S563A557-A559 PolarHBondContact O-N 3.23Å; A559-D561 VanDerWaalsContact CB-OD1 3.25Å; A559-D561 WeakPolarHBondContact CB-OD1 3.47Å; A559-D561 PolarHBondContact O-N 2.87Å; A559-G562 PolarHBondContact O-N 2.9Å; A559-S563 WeakPolarHBondContact CB-OG 2.99Å; A559-S563 PolarHBondContact N-O 2.89Å
560A52.3Low66.3Low123 Ų12362.2 Ų62.2100%1.01742%0.418SS*.THydrogen-bonded Turntrans-56.1-16.5-173.200000113.9
561D56.9Low66.3Low115 Ų11564.7 Ų64.762%0.61543%0.427SS*.THydrogen-bonded Turntrans-90.2-1.7175.562.42.3000115A559 S563A559-D561 VanDerWaalsContact CB-OD1 3.25Å; A559-D561 WeakPolarHBondContact CB-OD1 3.47Å; A559-D561 PolarHBondContact O-N 2.87Å; D561-S563 WeakPolarHBondContact OD1-CB 3.14Å; D561-S563 PolarHBondContact OD1-N 3.4Å; D561-S563 PolarHBondContact OD1-OG 3.43Å; D561-S563 PolarHBondContact OD2-OG 2.88Å
562G62.9Low66.5Low46 Ų4665.4 Ų65.447%0.47444%0.44SS..SBendtrans84.35.5-177.600000115.1A559A559-G562 PolarHBondContact O-N 2.9Å
563S70.6Confident66.6Low8 Ų864.2 Ų64.26%0.05644%0.435CS..  trans-74.4152.4174.866.30000112.1R518 P558 A559 D561R518-S563 CarbonylContact O-C 3.52Å; R518-S563 VanDerWaalsContact O-CA 3.26Å; R518-S563 WeakPolarHBondContact O-CA 3.4Å; P558-S563 CarbonylContact C-O 3.54Å; P558-S563 VanDerWaalsContact CA-O 3.24Å; P558-S563 WeakPolarHBondContact CA-O 3.44Å; A559-S563 WeakPolarHBondContact CB-OG 2.99Å; A559-S563 PolarHBondContact N-O 2.89Å; D561-S563 WeakPolarHBondContact OD1-CB 3.14Å; D561-S563 PolarHBondContact OD1-N 3.4Å; D561-S563 PolarHBondContact OD1-OG 3.43Å; D561-S563 PolarHBondContact OD2-OG 2.88Å
564S76.6Confident67.4Low13 Ų1365 Ų659%0.09143%0.434CS..  trans-73.4137.8-179.958.90000110.6R518 W548 E566 L567R518-S564 PolarHBondContact N-OG 3.24Å; R518-S564 PolarHBondContact O-N 3.07Å; R518-S564 PolarHBondContact O-OG 2.85Å; W548-S564 WeakPolarHBondContact CZ3-OG 3.33Å; S564-E566 VanDerWaalsContact CB-OE2 3.27Å; S564-E566 WeakPolarHBondContact CB-OE2 3.27Å; S564-E566 PolarHBondContact O-N 3.32Å; S564-L567 WeakPolarHBondContact O-CB 3.39Å; S564-L567 PolarHBondContact O-N 3.5Å
565G74.1Confident68.5Low38 Ų3858.2 Ų58.239%0.39240%0.403SS..THydrogen-bonded Turntrans-62.7-7.2-176.800000115.1L567G565-L567 VanDerWaalsContact C-N 3.27Å
566E82.6Confident69.8Low22 Ų2256.2 Ų56.210%0.10338%0.378CS..THydrogen-bonded Turntrans-72.7-11.7169.2-68.186.7169.300114.3K515 L517 W548 D549 S564 V568K515-E566 HydrophobicContact CD-CG 4.47Å; K515-E566 VanDerWaalsContact NZ-CG 3.34Å; K515-E566 IonicContact NZ-OE1 3.52Å; K515-E566 PolarHBondContact NZ-OE1 2.82Å; L517-E566 HydrophobicContact CD2-CB 3.74Å; L517-E566 HydrophobicContact CD2-CG 3.9Å; W548-E566 CarbonylContact C-O 3.59Å; W548-E566 VanDerWaalsContact CA-O 3.28Å; W548-E566 WeakPolarHBondContact CA-O 3.04Å; D549-E566 PolarHBondContact N-O 3.16Å; D549-E566 WeakPolarHBondContact O-CB 3.48Å; D549-E566 WeakPolarHBondContact O-CG 3.38Å; S564-E566 VanDerWaalsContact CB-OE2 3.27Å; S564-E566 WeakPolarHBondContact CB-OE2 3.27Å; S564-E566 PolarHBondContact O-N 3.32Å; E566-V568 PolarHBondContact O-N 2.71Å
567L85.4Confident71.3Confident44 Ų4457.8 Ų57.823%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-66.7116.7179-175.762.2000110.6R546 W548 S564 G565 G569R546-L567 HydrophobicContact CB-CD1 3.77Å; R546-L567 HydrophobicContact CG-CD1 3.97Å; W548-L567 HydrophobicContact CD2-CD1 4.17Å; W548-L567 HydrophobicContact CE3-CB 3.84Å; W548-L567 HydrophobicContact CE3-CD1 3.88Å; W548-L567 HydrophobicContact CE3-CG 4.47Å; W548-L567 HydrophobicContact CH2-CD1 3.94Å; W548-L567 HydrophobicContact CZ2-CD1 4.23Å; W548-L567 HydrophobicContact CZ3-CB 3.66Å; W548-L567 HydrophobicContact CZ3-CD1 3.75Å; W548-L567 HydrophobicContact CZ3-CG 4.19Å; S564-L567 WeakPolarHBondContact O-CB 3.39Å; S564-L567 PolarHBondContact O-N 3.5Å; G565-L567 VanDerWaalsContact C-N 3.27Å; L567-G569 WeakPolarHBondContact CD1-O 3.4Å
568V85.1Confident73.1Confident52 Ų5253.7 Ų53.732%0.31534%0.344SS..EExtended strand (participates in β ladder)trans-87.7-41.3176.7-178.30000110.7P265 L535 V547 D549 E566P265-V568 HydrophobicContact CG-CG1 3.85Å; P265-V568 HydrophobicContact CG-CG2 3.82Å; L535-V568 HydrophobicContact CD2-CG2 4.38Å; V547-V568 WeakPolarHBondContact O-CB 3.38Å; V547-V568 PolarHBondContact O-N 2.84Å; D549-V568 HydrophobicContact CB-CG2 3.58Å; E566-V568 PolarHBondContact O-N 2.71Å
569G83.3Confident74.4Confident14 Ų1450.6 Ų50.614%0.14432%0.322CS..EExtended strand (participates in β ladder)trans-161.3144.8-177.200000112.3R546 V547 L567R546-G569 WeakPolarHBondContact CA-O 3.25Å; V547-G569 PolarHBondContact N-O 3.48Å; V547-G569 PolarHBondContact O-N 3.22Å; L567-G569 WeakPolarHBondContact CD1-O 3.4Å
570Q88.3Confident75.9Confident94 Ų9449.2 Ų49.244%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-114.4128.5168178.1178-14.200108.3R546 V572R546-Q570 HydrophobicContact CG-CB 4.19Å; R546-Q570 HydrophobicContact CG-CG 4.07Å; R546-Q570 VanDerWaalsContact NH2-CD 3.32Å; R546-Q570 VanDerWaalsContact NH2-OE1 3.14Å; Q570-V572 HydrophobicContact CG-CG2 4.46Å
571Y86.1Confident77.7Confident61 Ų6143.4 Ų43.424%0.23926%0.26CS..EExtended strand (participates in β ladder)trans-121.9127.7-177.2-55.1-87.6000108.6I270 S544 V545 V547I270-Y571 HydrophobicContact CD1-CD1 3.61Å; I270-Y571 HydrophobicContact CD1-CD2 3.22Å; I270-Y571 HydrophobicContact CD1-CE1 3.68Å; I270-Y571 HydrophobicContact CD1-CE2 3.32Å; I270-Y571 HydrophobicContact CD1-CG 3.36Å; S544-Y571 WeakPolarHBondContact CA-O 3.44Å; V545-Y571 PolarHBondContact N-O 3.01Å; V545-Y571 PolarHBondContact O-N 2.91Å; V547-Y571 HydrophobicContact CB-CE2 4.42Å; V547-Y571 HydrophobicContact CG2-CD2 4.33Å; V547-Y571 HydrophobicContact CG2-CE2 3.86Å
572V82.2Confident79.3Confident100 Ų10039.9 Ų39.961%0.60624%0.24SC*.EExtended strand (participates in β ladder)trans-122.9119.2175.9-175.60000106.1Q570Q570-V572 HydrophobicContact CG-CG2 4.46Å
573G68.4Low80.4Confident16 Ų1638.6 Ų38.617%0.16522%0.221CC..  trans-98.9174.1178.400000112.1T575G573-T575 PolarHBondContact O-N 3.47Å
574N69.4Low81Confident141 Ų14138.9 Ų38.975%0.75422%0.222SC*.SBendtrans-75.730.5167.2-69.2-12.9000112L596N574-L596 WeakPolarHBondContact O-CB 3.31Å; N574-L596 PolarHBondContact O-N 2.95Å
575T68.8Low80.9Confident4 Ų441.5 Ų41.53%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-110.8129.3179.849.50000108.8F272 A274 G573 T594F272-T575 HydrophobicContact CB-CG2 4.46Å; F272-T575 HydrophobicContact CD1-CG2 4.24Å; A274-T575 HydrophobicContact CB-CG2 3.72Å; G573-T575 PolarHBondContact O-N 3.47Å; T575-T594 CarbonylContact C-O 3.5Å; T575-T594 WeakPolarHBondContact CA-O 3.32Å; T575-T594 WeakPolarHBondContact CB-O 3.12Å
576S72.6Confident80.7Confident29 Ų2944.6 Ų44.620%0.20326%0.259CS..EExtended strand (participates in β ladder)trans-88.4154.4164.247.20000109.2T594 A595S576-T594 PolarHBondContact N-O 3.01Å; S576-T594 PolarHBondContact O-N 3.05Å; S576-T594 PolarHBondContact O-OG1 2.93Å; S576-T594 PolarHBondContact OG-O 3.14Å; S576-T594 PolarHBondContact OG-OG1 2.84Å; S576-A595 PolarHBondContact OG-O 2.89Å
577N76Confident80.4Confident71 Ų7145.4 Ų45.438%0.3826%0.264SS..EExtended strand (participates in β ladder)trans51.871.9171.1-162.520000113.2N543 L579 G593N543-N577 PolarHBondContact OD1-N 3.44Å; N577-L579 PolarHBondContact O-N 3.01Å; N577-G593 WeakPolarHBondContact O-CA 3.36Å
578V82.1Confident80.4Confident1 Ų145.7 Ų45.71%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-67.7116.3176.7-177.60000109.2T525 V545 V581 V591T525-V578 PolarHBondContact OG1-O 2.75Å; T525-V578 VanDerWaalsContact OG1-O 3.11Å; V545-V578 HydrophobicContact CG2-CG1 4.12Å; V545-V578 HydrophobicContact CG2-CG2 4.43Å; V578-V581 HydrophobicContact CG1-CG2 4.18Å; V578-V591 HydrophobicContact CG1-CG1 3.44Å; V578-V591 VanDerWaalsContact CG1-CG1 3.44Å; V578-V591 HydrophobicContact CG2-CG1 4.45Å
579L82.2Confident80.5Confident27 Ų2743.2 Ų43.214%0.14125%0.25CS..EExtended strand (participates in β ladder)trans-91.3-43.9-173.1-63.5176.8000111.9L282 A285 N577 T592L282-L579 HydrophobicContact CB-CD1 4.14Å; L282-L579 HydrophobicContact CD2-CD1 3.29Å; L282-L579 HydrophobicContact CG-CD1 3.36Å; A285-L579 HydrophobicContact CB-CD1 4.45Å; N577-L579 PolarHBondContact O-N 3.01Å; L579-T592 PolarHBondContact N-O 3.39Å
580N87.1Confident80.8Confident14 Ų1442.8 Ų42.88%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-145.2148.6-174.3-157.72.3000112A285 S526 V591 T592A285-N580 VanDerWaalsContact O-CB 3.24Å; A285-N580 WeakPolarHBondContact O-CB 3.34Å; A285-N580 PolarHBondContact O-ND2 2.92Å; S526-N580 PolarHBondContact OG-OD1 3.44Å; N580-V591 WeakPolarHBondContact O-CA 3.48Å; N580-T592 WeakPolarHBondContact CB-OG1 3.49Å; N580-T592 PolarHBondContact N-O 2.82Å; N580-T592 PolarHBondContact O-N 3.03Å
581V91Very high80.8Confident2 Ų238.3 Ų38.31%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-132.8127.7175.6174.20000107.2S526 S528 A537 S539 V545 V578 L589 L590 V591S526-V581 PolarHBondContact OG-N 2.79Å; S528-V581 WeakPolarHBondContact CB-O 3.23Å; A537-V581 HydrophobicContact CB-CG1 3.63Å; S539-V581 VanDerWaalsContact CB-CG2 3.41Å; S539-V581 WeakPolarHBondContact OG-CG2 3.39Å; V545-V581 HydrophobicContact CG1-CG2 4.23Å; V545-V581 HydrophobicContact CG2-CG2 4.18Å; V578-V581 HydrophobicContact CG1-CG2 4.18Å; V581-L589 HydrophobicContact CG1-CD1 3.37Å; V581-L589 HydrophobicContact CG1-CD2 4.12Å; V581-L589 HydrophobicContact CG1-CG 3.94Å; V581-L590 WeakPolarHBondContact CA-O 3.37Å; V581-V591 HydrophobicContact CG2-CG1 4.27Å; V581-V591 HydrophobicContact CG2-CG2 4.26Å
582Q90Very high80.9Confident41 Ų4135.6 Ų35.619%0.19221%0.214CC..EExtended strand (participates in β ladder)trans-138.4120.8-175-1721782.700110.2V287 M584 L590V287-Q582 PolarHBondContact O-NE2 3.08Å; V287-Q582 PolarHBondContact O-OE1 3.24Å; Q582-M584 HydrophobicContact CG-SD 3.84Å; Q582-L590 PolarHBondContact N-O 2.73Å; Q582-L590 PolarHBondContact O-N 3.18Å
583F87.3Confident81Confident18 Ų1830.9 Ų30.98%0.07919%0.186CC..EExtended strand (participates in β ladder)trans-76.2128167.4-86.3-72.2000110T268 S528 F529 L535 A537 L589T268-F583 HydrophobicContact CG2-CE1 3.78Å; T268-F583 HydrophobicContact CG2-CZ 4.23Å; S528-F583 PolarHBondContact OG-N 3.06Å; F529-F583 VanDerWaalsContact O-CB 3.23Å; F529-F583 WeakPolarHBondContact O-CB 3.24Å; F529-F583 VanDerWaalsContact O-CD2 3.28Å; F529-F583 WeakPolarHBondContact O-CD2 3.4Å; L535-F583 HydrophobicContact CB-CZ 4.28Å; A537-F583 HydrophobicContact CB-CD2 4.15Å; A537-F583 HydrophobicContact CB-CE2 3.4Å; A537-F583 HydrophobicContact CB-CZ 3.92Å; F583-L589 HydrophobicContact CD1-CB 4.33Å; F583-L589 HydrophobicContact CD1-CD1 3.8Å; F583-L589 HydrophobicContact CD2-CD1 3.8Å; F583-L589 HydrophobicContact CE1-CB 4.17Å; F583-L589 HydrophobicContact CE1-CD1 3.85Å; F583-L589 HydrophobicContact CE1-CG 4.49Å; F583-L589 HydrophobicContact CE2-CD1 3.9Å; F583-L589 HydrophobicContact CG-CD1 3.77Å; F583-L589 HydrophobicContact CZ-CD1 3.92Å
584M83.6Confident81.8Confident14 Ų1430.9 Ų30.97%0.06918%0.182CC..  trans-100.6179.1173.4-56.7-55.8-79.100110.2S288 P289 S291 P531 Q582 L588 L590S288-M584 WeakPolarHBondContact O-CE 3.32Å; P289-M584 WeakPolarHBondContact O-CE 3.47Å; S291-M584 WeakPolarHBondContact OG-CE 3.3Å; P531-M584 WeakPolarHBondContact CG-O 3.47Å; Q582-M584 HydrophobicContact CG-SD 3.84Å; M584-L588 HydrophobicContact CB-CB 4.28Å; M584-L588 PolarHBondContact N-O 3.13Å; M584-L590 HydrophobicContact CE-CD1 4.38Å; M584-L590 HydrophobicContact CG-CD1 3.49Å; M584-L590 VanDerWaalsContact CG-CD1 3.49Å; M584-L590 HydrophobicContact CG-CG 3.63Å; M584-L590 HydrophobicContact SD-CD1 4.04Å
585A72.9Confident82.2Confident69 Ų6924.6 Ų24.657%0.5715%0.15SC*.G310 helixtrans-54.3154.3169.700000111.3N587A585-N587 VanDerWaalsContact C-N 3.3Å; A585-N587 PolarHBondContact O-N 3.07Å
586C70.7Confident82.3Confident102 Ų10228.9 Ų28.969%0.68917%0.172SC*.G310 helixtrans62.928.4177-54.80000115.2L588C586-L588 PolarHBondContact O-N 2.89Å
587N76.5Confident81.7Confident39 Ų3933.9 Ų33.921%0.20919%0.192CC..G310 helixtrans59.326.8178.1-63.6-9000114.1A585A585-N587 VanDerWaalsContact C-N 3.3Å; A585-N587 PolarHBondContact O-N 3.07Å
588L84.5Confident80.6Confident50 Ų5039.6 Ų39.626%0.26221%0.214SC..EExtended strand (participates in β ladder)trans-80126.8169.6177.367000109.4T269 M584 C586 L590T269-L588 HydrophobicContact CG2-CD1 3.93Å; M584-L588 HydrophobicContact CB-CB 4.28Å; M584-L588 PolarHBondContact N-O 3.13Å; C586-L588 PolarHBondContact O-N 2.89Å; L588-L590 HydrophobicContact CD1-CD2 4.48Å; L588-L590 HydrophobicContact CD2-CD2 3.92Å; L588-L590 HydrophobicContact CG-CD2 4Å
589L87.8Confident78.8Confident0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-102.7117.7175.1-17163.7000109.5T269 I270 C271 A537 V545 V547 V581 F583 V591T269-L589 PolarHBondContact O-N 2.69Å; I270-L589 CarbonylContact C-O 3.46Å; I270-L589 WeakPolarHBondContact CA-O 3.3Å; I270-L589 HydrophobicContact CD1-CD2 4.04Å; I270-L589 HydrophobicContact CG1-CB 4.11Å; I270-L589 HydrophobicContact CG1-CD2 4.13Å; I270-L589 HydrophobicContact CG2-CB 4.39Å; I270-L589 HydrophobicContact CG2-CD2 4.34Å; I270-L589 HydrophobicContact CG2-CG 4.49Å; C271-L589 PolarHBondContact N-O 3.43Å; A537-L589 HydrophobicContact CB-CD1 3.77Å; A537-L589 HydrophobicContact CB-CD2 3.85Å; A537-L589 HydrophobicContact CB-CG 4.47Å; V545-L589 HydrophobicContact CG1-CD2 4Å; V547-L589 HydrophobicContact CG2-CD2 4.06Å; V581-L589 HydrophobicContact CG1-CD1 3.37Å; V581-L589 HydrophobicContact CG1-CD2 4.12Å; V581-L589 HydrophobicContact CG1-CG 3.94Å; F583-L589 HydrophobicContact CD1-CB 4.33Å; F583-L589 HydrophobicContact CD1-CD1 3.8Å; F583-L589 HydrophobicContact CD2-CD1 3.8Å; F583-L589 HydrophobicContact CE1-CB 4.17Å; F583-L589 HydrophobicContact CE1-CD1 3.85Å; F583-L589 HydrophobicContact CE1-CG 4.49Å; F583-L589 HydrophobicContact CE2-CD1 3.9Å; F583-L589 HydrophobicContact CG-CD1 3.77Å; F583-L589 HydrophobicContact CZ-CD1 3.92Å; L589-V591 HydrophobicContact CG-CG2 4.35Å
590L88.9Confident76.6Confident5 Ų553.1 Ų53.13%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-95.8133.7172.5-59.9-175000109.4C271 Y273 V287 V581 Q582 M584 L588C271-L590 HydrophobicContact CB-CD2 3.7Å; Y273-L590 HydrophobicContact CE2-CD1 4.32Å; Y273-L590 HydrophobicContact CE2-CD2 3.97Å; V287-L590 HydrophobicContact CB-CD1 4.04Å; V287-L590 HydrophobicContact CG1-CD1 3.75Å; V287-L590 HydrophobicContact CG2-CD1 4.04Å; V581-L590 WeakPolarHBondContact CA-O 3.37Å; Q582-L590 PolarHBondContact N-O 2.73Å; Q582-L590 PolarHBondContact O-N 3.18Å; M584-L590 HydrophobicContact CE-CD1 4.38Å; M584-L590 HydrophobicContact CG-CD1 3.49Å; M584-L590 VanDerWaalsContact CG-CD1 3.49Å; M584-L590 HydrophobicContact CG-CG 3.63Å; M584-L590 HydrophobicContact SD-CD1 4.04Å; L588-L590 HydrophobicContact CD1-CD2 4.48Å; L588-L590 HydrophobicContact CD2-CD2 3.92Å; L588-L590 HydrophobicContact CG-CD2 4Å
591V89Confident74.7Confident1 Ų161.9 Ų61.91%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-124.7127.8178.4-176.50000108I270 C271 F272 Y273 V545 V578 N580 V581 L589I270-V591 HydrophobicContact CG2-CG2 3.68Å; C271-V591 PolarHBondContact O-N 2.92Å; F272-V591 CarbonylContact C-O 3.56Å; F272-V591 WeakPolarHBondContact CA-O 3.43Å; F272-V591 HydrophobicContact CD1-CB 3.76Å; F272-V591 HydrophobicContact CD1-CG1 3.69Å; F272-V591 HydrophobicContact CD1-CG2 4.41Å; F272-V591 HydrophobicContact CE1-CB 3.92Å; F272-V591 HydrophobicContact CE1-CG1 3.65Å; F272-V591 HydrophobicContact CE1-CG2 4.16Å; F272-V591 HydrophobicContact CG-CB 4.29Å; F272-V591 HydrophobicContact CZ-CG2 4.36Å; Y273-V591 PolarHBondContact N-O 3.36Å; V545-V591 HydrophobicContact CG1-CG2 4.31Å; V545-V591 HydrophobicContact CG2-CG1 3.78Å; V545-V591 HydrophobicContact CG2-CG2 4.04Å; V578-V591 HydrophobicContact CG1-CG1 3.44Å; V578-V591 VanDerWaalsContact CG1-CG1 3.44Å; V578-V591 HydrophobicContact CG2-CG1 4.45Å; N580-V591 WeakPolarHBondContact O-CA 3.48Å; V581-V591 HydrophobicContact CG2-CG1 4.27Å; V581-V591 HydrophobicContact CG2-CG2 4.26Å; L589-V591 HydrophobicContact CG-CG2 4.35Å
592T87.5Confident73.9Confident4 Ų464.9 Ų64.93%0.02536%0.36CS..EExtended strand (participates in β ladder)trans-113.5137176.157.70000110.2Y273 A285 V287 L294 L579 N580Y273-T592 WeakPolarHBondContact O-CA 3.41Å; A285-T592 HydrophobicContact CB-CG2 4.24Å; V287-T592 HydrophobicContact CG2-CG2 4.3Å; L294-T592 HydrophobicContact CD1-CG2 4.1Å; L579-T592 PolarHBondContact N-O 3.39Å; N580-T592 WeakPolarHBondContact CB-OG1 3.49Å; N580-T592 PolarHBondContact N-O 2.82Å; N580-T592 PolarHBondContact O-N 3.03Å
593G85.5Confident73Confident1 Ų166.2 Ų66.21%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-167.6179.6178.200000112.2Y273 A274 F275 N577Y273-G593 PolarHBondContact O-N 3.22Å; Y273-G593 VanDerWaalsContact O-N 3.07Å; A274-G593 WeakPolarHBondContact CA-O 3.45Å; F275-G593 WeakPolarHBondContact CD2-O 3.17Å; F275-G593 PolarHBondContact N-O 3.45Å; N577-G593 WeakPolarHBondContact O-CA 3.36Å
594T83.8Confident72.2Confident15 Ų1568.8 Ų68.89%0.09239%0.385CS..EExtended strand (participates in β ladder)trans-85.5147.617652.40000110.7T278 L282 T575 S576T278-T594 HydrophobicContact CG2-CG2 4.41Å; L282-T594 HydrophobicContact CB-CG2 4.01Å; L282-T594 HydrophobicContact CD2-CG2 4.01Å; T575-T594 CarbonylContact C-O 3.5Å; T575-T594 WeakPolarHBondContact CA-O 3.32Å; T575-T594 WeakPolarHBondContact CB-O 3.12Å; S576-T594 PolarHBondContact N-O 3.01Å; S576-T594 PolarHBondContact O-N 3.05Å; S576-T594 PolarHBondContact O-OG1 2.93Å; S576-T594 PolarHBondContact OG-O 3.14Å; S576-T594 PolarHBondContact OG-OG1 2.84Å
595A79.4Confident71.6Confident10 Ų1072.1 Ų72.18%0.08340%0.403CS..EExtended strand (participates in β ladder)trans-68.2140.517300000110.5A274 F275 H276 S576 E597A274-A595 HydrophobicContact CB-CB 4.11Å; F275-A595 WeakPolarHBondContact O-CB 3.13Å; F275-A595 PolarHBondContact O-N 2.9Å; H276-A595 VanDerWaalsContact CE1-CB 3.49Å; H276-A595 WeakPolarHBondContact CE1-CB 2.91Å; H276-A595 WeakPolarHBondContact ND1-CB 3.03Å; S576-A595 PolarHBondContact OG-O 2.89Å; A595-E597 PolarHBondContact O-N 3.24Å; A595-E597 VanDerWaalsContact O-N 3.09Å
596L70.3Confident71.5Confident93 Ų9372.3 Ų72.349%0.48739%0.393SS..  trans-66.8107.7167.8-91.6155.6000108.9N574 K598N574-L596 WeakPolarHBondContact O-CB 3.31Å; N574-L596 PolarHBondContact O-N 2.95Å; L596-K598 PolarHBondContact O-N 2.89Å; L596-K598 VanDerWaalsContact O-N 3.14Å
597E60Low71.5Confident134 Ų13470.3 Ų70.363%0.62637%0.373SS*.  trans-67.4111168.6-69.7-173.6173.900108.4A595 T599A595-E597 PolarHBondContact O-N 3.24Å; A595-E597 VanDerWaalsContact O-N 3.09Å; E597-T599 PolarHBondContact O-N 2.81Å
598K52Low71.2Confident192 Ų19272.5 Ų72.584%0.83539%0.385SS*.  trans-66.4104.8167.2-72.6-179178.8178.40106.5L596 E600L596-K598 PolarHBondContact O-N 2.89Å; L596-K598 VanDerWaalsContact O-N 3.14Å; K598-E600 PolarHBondContact O-N 3.17Å
599T44.2Very low70.2Confident132 Ų13274.2 Ų74.281%0.8139%0.394SS*.  trans-60.7108158.332.50000106.2E597E597-T599 PolarHBondContact O-N 2.81Å
600E36.5Very low68.7Low179 Ų17980.4 Ų80.484%0.83643%0.427SS*.  trans-60.3138169.8-72.7-16815800108.5K598K598-E600 PolarHBondContact O-N 3.17Å
601P47.4Very low66.9Low199 Ų19987.3 Ų87.3100%1.29246%0.464SS*.  trans-68.50-17028-36000114.7

Retrieved 601 of 601 residues in 1968.3 ms (Link to these results)

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