A0A5K4FBG3_SCHMA Loading...

Sperm-associated antigen 17

AlphaFold DB , UniProt , Accession A0A5K4FBG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,359 aa.

>A0A5K4FBG3_SCHMA|A0A5K4FBG3
MPKSAKNIKNKTPRASIGVSDWESKLCDLNLDDSVQDVWKMSLSILSPSLLPENEIISILAASVVNGQRQRFTVITYEDVLNQIFVQCKTKSQKDAPEFYEICDVAKNLIETVNELNPQTLSKVLKFMFNNIKILDIKQQSLRKSILRINQLEDTKKKENLKDKKSGAKVMKSQEPPVNKEKSKLYKRGEEALEEKYLGDEPDNGICRYILLVNFEKCGLLEELCRLKIDVHSIIRLHVDDQKQLQILITKQKAEKMWGSKGSEQNLEQMRSEEEALLLAEEQLRQYWRTTSILMRDHVYDRLGNIATLDYNVKTELLPDDLNGAENRASFGATMFNEISTILYDLIDFRRQWKNYLEHIKVVHLPICPPLLNENDSASSKQLLKMSKPAVGLHPDNLDKPAIKSEDCGDLLAEDFVDMRFYNEILEGLPIESTSVELILHALLEQVSANKNEILPQAALIDEKAKNDGFDPLIARNIANEELSEEMPLHRKSVNSLLNTSPFIILHPYDENRYKTLFTTQNVQNNEELMNSELNLYSQLFPNISNNISKENINFEWKPELQVVKSNEEKTGNEIIEESFKQMEEVRFHQIMQFAEKFGFTPEEFKHYFSKLQLESLQIWKAYSSRKQFQQSLNMIQPLDSTLGTLPKNHINPTMDQLLDDINKNNDQLKDTTIPFDDPYLLYENLSVLFIQIEYEINKIRKFSLKNEITSSESHTTPTSIESGSRSKSVSSRRSSSAVHFDVPERSNKSITLENKDQKSKFSRLTLLAQELQEILKQLHVTNQIMVSLDKENNKNSSEHPFETYKVSLENFGTLLNKAKNINLNDWSVEEKLEPNVLLQRLHSLNYEKPYLDVYKRLYDDSLFIVSHHPFDRTIRSNHYTWCSWFHVNTIGFRPYLQLIEGHIRNWTREQEAIYEAAKLSAEILQTDDISVQNSSSTEQSPTKPIKKNSPKSQKGAKTKRNRSTSGSESEASIVQNEIKSLLGDPNEFILPGSLKAAQREQERTKLKKDSEERQQETKRARSAKKRTVKEISPIEKKKTSGKRDKSPHSKSPVQKNNQDDESIQPQQLKTKRTSNEFWPFTGYDISNLLPHITGEVTHMFPTDGGTIKTQRNEIPTGQANLRVSLIKDGHVFTIHKIDGPPEPNIPYKNPNEAKFNDQENEQPNPNYQSESNQLNKLNKNSYSDSNNGSRIKTNSVNLDDNSETTQNKPFEHFIHLSTPDGAQVAVYHCVNEISNRANDECAEENIPSKETLINGESKWRTKNEQTNSFLNSQHSILLKLSSAKSINDSINIDDLKKKSDKEYEVTRFITSDGIVIQILMPSCTSTASCAIRILYPDGAIMERGTTVAEELRRNENPQFTLNNPQEEKQQEITIQSEPAVTSALQVNNLQSTKSSSRRKSSRRKIEEKKTEDDAQNETGLVGTEIAAALTPSSTPRSTTSDSDDNLPWLITLLSGERFWFRIIKSFTNTSNLVEDTPTTNASDSVSQESVNLDTPSSKRLNDAVKYETYPSKPLESFRAYDPATGETLYTRPEDNLIAVEPHPDSPFKLIVQHADGTRLTQILLASEKVNDECNSVDLNSNANKPQMFIRTECVGFPAVILNKSTGEFEISLFGKSQFSSTFHFTPKGHHILQHFNGGQLNINPDNSVYYTSQSLEIVNLNEPTVYEMRSKDMESLLECTDPHKNVYTVDSWANCNVLLTVSNKKHTVDDNSSTEANQIYSTELKDENNQQTEDSCHTALQNKDDGDDNEIEESHNNEISNDACCLYDEHIPRLFYFNPIKRTAVELIHHEEYNCLLQRAHNIQTPRHHISKLTIEEKLMYMNPKNQNTSTSDSAFYEDIRKLGEKAGKGLDIIMPSLEYLGLKLPETNVTLLPVQKSKSIKRENQKFNGYHQAFHANVRHFTEFPVITSEINQRFLGVLCAYTEYYLNRLNEWCSQQPTRLSEIMRSESRLFLDPIPTVSSILSRDKQISDPNETENITDVSSSPSQQTIVSQEISQPTNKYSPARQEAFKLLRQEIEKAMRDRAALRSTHIPNYFRSQEGIGFLLSQIPDVKKLSKLVPELSNSPSRNPKPNDKSNNRSTHVPLDAVALAKQKQLRVPKYLYAKRPSLSKCNNGVNEIRYATDFNVQQALIEDPVRRRALFTSIIGGPPFGQFSLRRMRGLRLAPSRINAGVLPYGVTRRFSVKLVNWGPETAYFRIKQLPIHSGIRVFYTPGPIPAGLSRRLTIEVSNQRQDLLESYPSNQQVDDRRLEQTDNQAESRKSCHSNIKWEIDKYTEQNSKDFENDNYNTDNDELKDNLSIDDKNITFSEHLQITTDTHIMYLLITGRQMENSIPVQSSMLNANEDIIKPRFIQPLMS
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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
1M25.3Very low28.7Very low242 Ų242161.1 Ų161.1100%1.19283%0.834SS**  0150.90-75.2178.8169.700109.2
2P32Very low28.4Very low126 Ų126157.5 Ų157.582%0.81882%0.824SS**  trans-89.6142.7-147.531.6-33.8000114.7S4P2-S4 PolarHBondContact O-N 3.07Å
3K27Very low28.5Very low205 Ų205154.5 Ų154.589%0.89182%0.82SS**  trans-68.2113168.5-60.1165.4-177.3173.90107.6A5K3-A5 PolarHBondContact O-N 3.29Å
4S30.7Very low28.3Very low120 Ų120159.1 Ų159.184%0.83982%0.821SS**  trans-61.1133.8172.344.40000109.3P2P2-S4 PolarHBondContact O-N 3.07Å
5A29.4Very low28.5Very low91 Ų91154.2 Ų154.275%0.75281%0.813SS**  trans-64.5148.3-163.500000112.9K3 N7K3-A5 PolarHBondContact O-N 3.29Å; A5-N7 VanDerWaalsContact C-N 3.29Å; A5-N7 PolarHBondContact O-N 2.98Å
6K30Very low28.8Very low194 Ų194151.8 Ų151.884%0.84381%0.813SS**  trans-58.995.4161.1-72.7-179.9176.5-179.30107.7I8K6-I8 VanDerWaalsContact C-N 3.33Å; K6-I8 PolarHBondContact O-N 2.95Å
7N28.5Very low29.3Very low145 Ų145149.4 Ų149.478%0.77580%0.798SS**  trans-76.992.6175.8-154.8-14.8000107.3A5 K9A5-N7 VanDerWaalsContact C-N 3.29Å; A5-N7 PolarHBondContact O-N 2.98Å; N7-K9 PolarHBondContact O-N 3.4Å
8I29.6Very low29.9Very low132 Ų132143.2 Ų143.268%0.67778%0.776SS**  trans-70.380.3179.9-55.7174000107.4K6 N10K6-I8 VanDerWaalsContact C-N 3.33Å; K6-I8 PolarHBondContact O-N 2.95Å; I8-N10 WeakPolarHBondContact CG2-OD1 3.43Å; I8-N10 PolarHBondContact O-N 3.43Å
9K28.1Very low30.9Very low184 Ų184141.2 Ų141.280%0.877%0.768SS**  trans-65.697.3157.1-77.6-164.5173.1-170.40106.3N7 K11N7-K9 PolarHBondContact O-N 3.4Å; K9-K11 PolarHBondContact O-N 3.32Å
10N27.8Very low32.1Very low133 Ų133138.3 Ų138.371%0.71176%0.759SS**  trans-48.1106.2164.5-71.2-16.8000107.2I8 T12I8-N10 WeakPolarHBondContact CG2-OD1 3.43Å; I8-N10 PolarHBondContact O-N 3.43Å; N10-T12 PolarHBondContact O-N 3.03Å
11K26.9Very low34Very low200 Ų200135.5 Ų135.587%0.8774%0.743SS**  trans-6698154.4-75.4-174.7176-176.40104.2K9K9-K11 PolarHBondContact O-N 3.32Å
12T25.9Very low36.5Very low118 Ų118125.6 Ų125.672%0.72469%0.692SS**  trans-45.4129.9154.1320000106.5N10 R14N10-T12 PolarHBondContact O-N 3.03Å; T12-R14 PolarHBondContact O-N 2.84Å; T12-R14 VanDerWaalsContact O-N 3.12Å
13P29.8Very low38.8Very low118 Ų118122.5 Ų122.577%0.76667%0.667SS**  trans-53.8128.1179.122.6-32000107.2A15P13-A15 PolarHBondContact O-N 2.97Å
14R25.3Very low41.1Very low220 Ų220115.2 Ų115.283%0.8364%0.642SS**  trans-52.9120176.5-172.5-178.3-167.3177.41.8105.5T12 S16T12-R14 PolarHBondContact O-N 2.84Å; T12-R14 VanDerWaalsContact O-N 3.12Å; R14-S16 PolarHBondContact O-N 2.84Å
15A30.8Very low43.6Very low85 Ų85114.4 Ų114.470%0.70262%0.624SS**  trans-45.9133.1-170.200000109.5P13 I17P13-A15 PolarHBondContact O-N 2.97Å; A15-I17 PolarHBondContact O-N 3.24Å
16S34.3Very low46Very low116 Ų116110.2 Ų110.281%0.81159%0.588SS**  trans-46.8105.6-173.445.40000109.7R14 G18R14-S16 PolarHBondContact O-N 2.84Å; S16-G18 PolarHBondContact O-N 3.27Å; S16-G18 VanDerWaalsContact O-N 3.09Å
17I36.3Very low48.4Very low110 Ų110102.8 Ų102.856%0.56456%0.56SS**  trans-58.8117.4170.4-65.9169.9000104.2A15 D21A15-I17 PolarHBondContact O-N 3.24Å; I17-D21 HydrophobicContact CG2-CB 3.62Å
18G40.3Very low50.8Low38 Ų38101.6 Ų101.639%0.39255%0.554SS.*  trans-56.3143.1-175.100000109.7S16 S20 D21S16-G18 PolarHBondContact O-N 3.27Å; S16-G18 VanDerWaalsContact O-N 3.09Å; G18-S20 PolarHBondContact O-N 2.97Å; G18-D21 VanDerWaalsContact O-CB 3.28Å; G18-D21 WeakPolarHBondContact O-CB 3.29Å; G18-D21 PolarHBondContact O-N 3.36Å
19V48.6Very low53.1Low105 Ų10596.9 Ų96.964%0.63653%0.53SS*.THydrogen-bonded Turntrans-56.5-29.1-178.3-176.60000111D21 W22V19-D21 VanDerWaalsContact C-N 3.29Å; V19-D21 PolarHBondContact O-N 3.13Å; V19-W22 VanDerWaalsContact O-CD1 3.25Å; V19-W22 PolarHBondContact O-NE1 2.79Å
20S55.4Low55.3Low84 Ų8491.3 Ų91.359%0.58751%0.509SS*.Hα-helixtrans-66.1-16.9175-39.70000115.8G18 S24G18-S20 PolarHBondContact O-N 2.97Å; S20-S24 WeakPolarHBondContact O-CB 3.42Å; S20-S24 PolarHBondContact O-N 2.91Å; S20-S24 VanDerWaalsContact O-N 3.1Å; S20-S24 PolarHBondContact O-OG 2.87Å
21D71Confident57.4Low79 Ų7985.4 Ų85.442%0.42248%0.477SS..Hα-helixtrans-76.4-27-165.8-141.476.1000113.1I17 G18 V19 S24 K25I17-D21 HydrophobicContact CG2-CB 3.62Å; G18-D21 VanDerWaalsContact O-CB 3.28Å; G18-D21 WeakPolarHBondContact O-CB 3.29Å; G18-D21 PolarHBondContact O-N 3.36Å; V19-D21 VanDerWaalsContact C-N 3.29Å; V19-D21 PolarHBondContact O-N 3.13Å; D21-S24 PolarHBondContact O-OG 2.98Å; D21-K25 WeakPolarHBondContact O-CG 3.28Å; D21-K25 PolarHBondContact O-NZ 3.26Å; D21-K25 IonicContact OD2-NZ 3.62Å; D21-K25 PolarHBondContact OD2-NZ 2.93Å
22W79.8Confident59.2Low34 Ų3479 Ų7913%0.12945%0.452CS..Hα-helixtrans-93.6-33.6172.865.1-91.7000111.7V19 K25 L26 F99 E101 I102 V105V19-W22 VanDerWaalsContact O-CD1 3.25Å; V19-W22 PolarHBondContact O-NE1 2.79Å; W22-K25 PolarHBondContact O-N 3.25Å; W22-L26 HydrophobicContact CE3-CD2 4.48Å; W22-L26 HydrophobicContact CZ3-CD2 4.06Å; W22-L26 PolarHBondContact O-N 2.97Å; W22-F99 HydrophobicContact CB-CD1 4.5Å; W22-E101 HydrophobicContact CD2-CB 3.82Å; W22-E101 HydrophobicContact CE3-CB 4.37Å; W22-E101 HydrophobicContact CG-CB 4.06Å; W22-E101 HydrophobicContact CG-CG 4.39Å; W22-E101 HydrophobicContact CZ2-CB 4.38Å; W22-I102 HydrophobicContact CH2-CB 4.03Å; W22-I102 HydrophobicContact CH2-CD1 3.63Å; W22-I102 HydrophobicContact CH2-CG1 4.4Å; W22-I102 HydrophobicContact CZ3-CB 3.75Å; W22-I102 HydrophobicContact CZ3-CD1 3.87Å; W22-I102 HydrophobicContact CZ3-CG1 4.3Å; W22-V105 HydrophobicContact CH2-CG2 4.47Å; W22-V105 HydrophobicContact CZ2-CG2 4.04Å
23E78.9Confident60.5Low61 Ų6177 Ų7729%0.28544%0.437SS..Hα-helixtrans-65.7-43.9-178.3-177.5174.5-152.200111.5L26 C27 K123E23-L26 PolarHBondContact O-N 2.98Å; E23-C27 PolarHBondContact O-N 3.38Å; E23-C27 PolarHBondContact O-SG 2.82Å; E23-K123 IonicContact OE1-NZ 2.73Å; E23-K123 PolarHBondContact OE1-NZ 2.95Å
24S76.7Confident61.4Low52 Ų5276.5 Ų76.536%0.36444%0.437SS..Hα-helixtrans-55.4-51.4171.847.40000111.6S20 D21 L26 C27 D28S20-S24 WeakPolarHBondContact O-CB 3.42Å; S20-S24 PolarHBondContact O-N 2.91Å; S20-S24 VanDerWaalsContact O-N 3.1Å; S20-S24 PolarHBondContact O-OG 2.87Å; D21-S24 PolarHBondContact O-OG 2.98Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.11Å; S24-C27 WeakPolarHBondContact O-CB 3.4Å; S24-C27 PolarHBondContact O-N 3.28Å; S24-C27 VanDerWaalsContact O-N 3.09Å; S24-D28 PolarHBondContact O-N 3.16Å
25K82.2Confident62.6Low104 Ų10472.4 Ų72.445%0.45244%0.436SS..Hα-helixtrans-60.6-36.4177.6-64.5-176.3-171.384.30112.9D21 W22 L29 F99D21-K25 WeakPolarHBondContact O-CG 3.28Å; D21-K25 PolarHBondContact O-NZ 3.26Å; D21-K25 IonicContact OD2-NZ 3.62Å; D21-K25 PolarHBondContact OD2-NZ 2.93Å; W22-K25 PolarHBondContact O-N 3.25Å; K25-L29 WeakPolarHBondContact O-CB 3.44Å; K25-L29 PolarHBondContact O-N 2.83Å; K25-F99 HydrophobicContact CB-CE1 3.67Å; K25-F99 HydrophobicContact CB-CZ 4.3Å
26L80.9Confident63.2Low2 Ų275.7 Ų75.71%0.0144%0.437CS..Hα-helixtrans-70.4-35.3174.5-179.562.3000112.2W22 E23 S24 L29 F99 I102 K123 K126W22-L26 HydrophobicContact CE3-CD2 4.48Å; W22-L26 HydrophobicContact CZ3-CD2 4.06Å; W22-L26 PolarHBondContact O-N 2.97Å; E23-L26 PolarHBondContact O-N 2.98Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.11Å; L26-L29 HydrophobicContact CD1-CD2 4.3Å; L26-F99 HydrophobicContact CB-CD1 4.05Å; L26-F99 HydrophobicContact CB-CE1 4.48Å; L26-F99 HydrophobicContact CB-CG 4.17Å; L26-F99 HydrophobicContact CD1-CB 4.21Å; L26-F99 HydrophobicContact CD1-CD2 3.9Å; L26-F99 HydrophobicContact CD1-CE2 4.5Å; L26-F99 HydrophobicContact CD1-CG 4.02Å; L26-F99 HydrophobicContact CD2-CB 4.38Å; L26-I102 HydrophobicContact CD2-CB 4.43Å; L26-K123 HydrophobicContact CD2-CB 4.34Å; L26-K126 HydrophobicContact CD1-CB 4.39Å; L26-K126 HydrophobicContact CD1-CG 4.14Å; L26-K126 VanDerWaalsContact O-CD 3.32Å; L26-K126 WeakPolarHBondContact O-CD 3.45Å; L26-K126 WeakPolarHBondContact O-CE 3.39Å; L26-K126 PolarHBondContact O-NZ 3Å
27C79Confident64Low38 Ų3874.5 Ų74.526%0.25742%0.421SS..Hα-helixtrans-67.6-45.7173.7-65.70000111.2E23 S24 L29 K126 L227E23-C27 PolarHBondContact O-N 3.38Å; E23-C27 PolarHBondContact O-SG 2.82Å; S24-C27 WeakPolarHBondContact O-CB 3.4Å; S24-C27 PolarHBondContact O-N 3.28Å; S24-C27 VanDerWaalsContact O-N 3.09Å; C27-L29 VanDerWaalsContact C-N 3.34Å; C27-K126 PolarHBondContact O-NZ 2.99Å; C27-L227 HydrophobicContact CB-CD2 4.44Å
28D78.7Confident65.2Low120 Ų12072.1 Ų72.164%0.64241%0.412SS*.Hα-helixtrans-74-20179-74.3-33.8000114.1S24 N30S24-D28 PolarHBondContact O-N 3.16Å; D28-N30 PolarHBondContact O-N 3.38Å; D28-N30 VanDerWaalsContact O-N 3.14Å
29L79.4Confident67Low34 Ų3471 Ų7118%0.17840%0.396CS..  trans-53.2119.7176.4178.970.6000110.4K25 L26 C27 L31 F99 K126 N130K25-L29 WeakPolarHBondContact O-CB 3.44Å; K25-L29 PolarHBondContact O-N 2.83Å; L26-L29 HydrophobicContact CD1-CD2 4.3Å; C27-L29 VanDerWaalsContact C-N 3.34Å; L29-L31 HydrophobicContact CD2-CD2 4.5Å; L29-F99 HydrophobicContact CD2-CE2 3.95Å; L29-K126 WeakPolarHBondContact O-CE 3.25Å; L29-K126 PolarHBondContact O-NZ 3.27Å; L29-N130 HydrophobicContact CD2-CB 3.88Å
30N73.9Confident68.5Low66 Ų6671.4 Ų71.435%0.35339%0.389SS..  trans-87.2132.7170.3-169.99.3000109.7D28 D32 K133D28-N30 PolarHBondContact O-N 3.38Å; D28-N30 VanDerWaalsContact O-N 3.14Å; N30-D32 PolarHBondContact ND2-O 3.1Å; N30-D32 PolarHBondContact OD1-N 3.5Å; N30-D32 VanDerWaalsContact OD1-N 3.1Å; N30-K133 PolarHBondContact O-NZ 3.42Å
31L71Confident69.9Low9 Ų968.1 Ų68.15%0.04736%0.364CS..SBendtrans-82.2-38173.2-70.7175.2000110.4L29 D33 W39 M41 F129 N130 K133 I229L29-L31 HydrophobicContact CD2-CD2 4.5Å; L31-D33 PolarHBondContact O-N 3.1Å; L31-W39 HydrophobicContact CB-CZ3 4.35Å; L31-M41 HydrophobicContact CD1-CE 3.95Å; L31-F129 HydrophobicContact CD1-CB 3.77Å; L31-F129 HydrophobicContact CD1-CD2 3.95Å; L31-F129 HydrophobicContact CD1-CG 4.35Å; L31-F129 HydrophobicContact CD2-CB 4.23Å; L31-N130 HydrophobicContact CD2-CB 4.39Å; L31-K133 HydrophobicContact CD2-CD 4.34Å; L31-K133 WeakPolarHBondContact O-CE 3.17Å; L31-K133 PolarHBondContact O-NZ 2.89Å; L31-I229 HydrophobicContact CD1-CD1 4.44Å; L31-I229 HydrophobicContact CD1-CG1 4.23Å
32D64.8Low70.5Confident65 Ų6564.4 Ų64.435%0.34835%0.345SS..SBendtrans-97.674.4177.6-64-48.6000110.8N30 S34 K40N30-D32 PolarHBondContact ND2-O 3.1Å; N30-D32 PolarHBondContact OD1-N 3.5Å; N30-D32 VanDerWaalsContact OD1-N 3.1Å; D32-S34 PolarHBondContact O-N 2.92Å; D32-K40 WeakPolarHBondContact OD1-CA 3.29Å
33D53.2Low71Confident76 Ų7662.8 Ų62.841%0.40634%0.339SS..  trans-67.187.3-179.4-75.3-50.6000112.4L31 V35 Q36 K133L31-D33 PolarHBondContact O-N 3.1Å; D33-V35 PolarHBondContact O-N 3.49Å; D33-Q36 PolarHBondContact O-N 3.29Å; D33-Q36 VanDerWaalsContact O-N 3.12Å; D33-K133 IonicContact OD2-NZ 3.55Å; D33-K133 PolarHBondContact OD2-NZ 3.22Å
34S49.7Very low71.4Confident109 Ų10960 Ų6076%0.76233%0.325SS*.THydrogen-bonded Turntrans-61-4.2179.759.10000115.7D32D32-S34 PolarHBondContact O-N 2.92Å
35V49.6Very low72Confident133 Ų13357.7 Ų57.781%0.80631%0.309SS*.THydrogen-bonded Turntrans-86-16.3177.7-1720000111.9D33D33-V35 PolarHBondContact O-N 3.49Å
36Q43.4Very low72.3Confident155 Ų15552.8 Ų52.872%0.72429%0.288SS*.SBendtrans-154.2109.9177.7-112.5164.30.800112.6D33 V38D33-Q36 PolarHBondContact O-N 3.29Å; D33-Q36 VanDerWaalsContact O-N 3.12Å; Q36-V38 PolarHBondContact O-N 3.41Å
37D52Low72.7Confident90 Ų9052.7 Ų52.748%0.48129%0.287SS..  trans-61.491.8-177.4-61.5-85.4000114.2P992D37-P992 WeakPolarHBondContact OD2-CB 3.36Å; D37-P992 WeakPolarHBondContact OD2-CG 3.49Å
38V60.1Low73.3Confident60 Ų6050.9 Ų50.936%0.36428%0.275SS..SBendtrans-139.7-31177.9-163.60000115.4Q36 I137 Q140 C207Q36-V38 PolarHBondContact O-N 3.41Å; V38-I137 HydrophobicContact CG1-CG1 4Å; V38-Q140 PolarHBondContact O-NE2 3.01Å; V38-Q140 VanDerWaalsContact O-NE2 3.15Å; V38-C207 PolarHBondContact O-SG 2.91Å
39W78.8Confident73.7Confident16 Ų1646.6 Ų46.66%0.06126%0.255CS..  trans-147.6139-176.6-160.581.3000113L31 M41 I132 K133 D136 C207 R208L31-W39 HydrophobicContact CB-CZ3 4.35Å; W39-M41 HydrophobicContact CE3-CB 4.41Å; W39-M41 HydrophobicContact CH2-CB 3.7Å; W39-M41 HydrophobicContact CH2-CE 4.45Å; W39-M41 HydrophobicContact CH2-CG 4.1Å; W39-M41 HydrophobicContact CH2-SD 3.62Å; W39-M41 HydrophobicContact CZ2-CB 4.28Å; W39-M41 HydrophobicContact CZ2-SD 4.45Å; W39-M41 HydrophobicContact CZ3-CB 3.75Å; W39-M41 HydrophobicContact CZ3-SD 4.27Å; W39-I132 HydrophobicContact CZ2-CG2 4.16Å; W39-K133 HydrophobicContact CB-CG 4.31Å; W39-K133 HydrophobicContact CD2-CB 3.8Å; W39-K133 HydrophobicContact CD2-CD 4.29Å; W39-K133 HydrophobicContact CD2-CG 3.75Å; W39-K133 HydrophobicContact CE3-CB 3.82Å; W39-K133 HydrophobicContact CE3-CD 3.76Å; W39-K133 HydrophobicContact CE3-CG 3.74Å; W39-K133 HydrophobicContact CG-CB 4.44Å; W39-K133 HydrophobicContact CG-CG 4.04Å; W39-K133 HydrophobicContact CH2-CB 3.85Å; W39-K133 HydrophobicContact CZ2-CB 3.88Å; W39-K133 HydrophobicContact CZ3-CB 3.84Å; W39-K133 HydrophobicContact CZ3-CD 4.12Å; W39-K133 HydrophobicContact CZ3-CG 4.21Å; W39-D136 PolarHBondContact NE1-OD2 3.24Å; W39-C207 HydrophobicContact CG-CB 4.04Å; W39-R208 HydrophobicContact CZ2-CB 4.25Å
40K79.9Confident74Confident112 Ų11248 Ų4849%0.48726%0.262SS..  trans-144.1145.1172.2-69.9179.2-177.7168.90109.2D32 C207 R208D32-K40 WeakPolarHBondContact OD1-CA 3.29Å; K40-C207 PolarHBondContact O-N 3.21Å; K40-R208 PolarHBondContact O-N 3.49Å
41M85.2Confident74.6Confident15 Ų1546.1 Ų46.17%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-124.7136.1-175.6179.417566.300111.8L31 W39 F129 R208 I210L31-M41 HydrophobicContact CD1-CE 3.95Å; W39-M41 HydrophobicContact CE3-CB 4.41Å; W39-M41 HydrophobicContact CH2-CB 3.7Å; W39-M41 HydrophobicContact CH2-CE 4.45Å; W39-M41 HydrophobicContact CH2-CG 4.1Å; W39-M41 HydrophobicContact CH2-SD 3.62Å; W39-M41 HydrophobicContact CZ2-CB 4.28Å; W39-M41 HydrophobicContact CZ2-SD 4.45Å; W39-M41 HydrophobicContact CZ3-CB 3.75Å; W39-M41 HydrophobicContact CZ3-SD 4.27Å; M41-F129 HydrophobicContact CE-CB 4.18Å; M41-F129 HydrophobicContact CE-CD2 3.83Å; M41-F129 HydrophobicContact CE-CE2 4.34Å; M41-F129 HydrophobicContact CE-CG 3.92Å; M41-F129 HydrophobicContact SD-CB 4.24Å; M41-F129 HydrophobicContact SD-CD1 4.17Å; M41-F129 HydrophobicContact SD-CG 4.07Å; M41-R208 WeakPolarHBondContact CA-O 3.37Å; M41-I210 HydrophobicContact CG-CD1 4.37Å; M41-I210 HydrophobicContact CG-CG1 4.21Å; M41-I210 HydrophobicContact SD-CD1 3.45Å; M41-I210 WeakPolarHBondContact SD-CD1 3.23Å; M41-I210 HydrophobicContact SD-CG1 3.92Å
42S84.4Confident75.2Confident1 Ų147 Ų471%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-96.3132.1160.3-179.90000108.9R208 I210S42-R208 PolarHBondContact N-O 2.9Å; S42-I210 PolarHBondContact O-N 3.48Å
43L88.5Confident76.3Confident1 Ų143.9 Ų43.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-122.7116.6-178.1-178.664000109.7F129 I210 L212 I229 V231 H232L43-F129 HydrophobicContact CD1-CE1 4.15Å; L43-F129 HydrophobicContact CD1-CE2 4.38Å; L43-F129 HydrophobicContact CD1-CZ 3.7Å; L43-F129 HydrophobicContact CD2-CE2 3.92Å; L43-F129 HydrophobicContact CD2-CZ 4.01Å; L43-I210 HydrophobicContact CD1-CB 3.95Å; L43-I210 HydrophobicContact CD1-CG2 3.85Å; L43-L212 HydrophobicContact CD1-CD1 4Å; L43-L212 HydrophobicContact CD1-CD2 4.28Å; L43-L212 HydrophobicContact CD1-CG 3.79Å; L43-I229 HydrophobicContact CD2-CG2 3.57Å; L43-V231 HydrophobicContact CD2-CG2 4.16Å; L43-H232 WeakPolarHBondContact O-CB 3.34Å; L43-H232 PolarHBondContact O-N 3.43Å
44S87.3Confident77.9Confident1 Ų142 Ų421%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-125.8140179.5-56.90000110.9I210 L211 L212 S233 L343S44-I210 PolarHBondContact N-O 3.39Å; S44-L211 WeakPolarHBondContact O-CA 3.39Å; S44-L212 PolarHBondContact O-N 3.35Å; S44-S233 WeakPolarHBondContact CA-O 3.38Å; S44-S233 VanDerWaalsContact CB-OG 3.26Å; S44-S233 WeakPolarHBondContact CB-OG 3.47Å; S44-S233 PolarHBondContact OG-OG 3.17Å; S44-L343 WeakPolarHBondContact OG-CD2 3.48Å
45I89.3Confident79.6Confident4 Ų439 Ų392%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-98.8131.3174.6-59.7169.9000107.8L212 L221 V231 S233 I234 I235I45-L212 CarbonylContact C-O 3.49Å; I45-L212 WeakPolarHBondContact CA-O 3.29Å; I45-L212 HydrophobicContact CG1-CB 4.27Å; I45-L212 HydrophobicContact CG1-CD1 4.29Å; I45-L221 HydrophobicContact CD1-CD1 3.83Å; I45-V231 HydrophobicContact CD1-CG1 4.26Å; I45-V231 HydrophobicContact CG1-CG1 4.47Å; I45-S233 PolarHBondContact N-O 2.96Å; I45-I234 HydrophobicContact CB-CG1 4.44Å; I45-I234 HydrophobicContact CD1-CG1 4.46Å; I45-I234 WeakPolarHBondContact O-CA 3.43Å; I45-I235 PolarHBondContact O-N 3.06Å
46L90.2Very high81.3Confident1 Ų132.7 Ų32.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-117.6121.5173.7-179.270000109I57 L60 L212 N214 I235 L237L46-I57 HydrophobicContact CD2-CG1 4.47Å; L46-I57 HydrophobicContact CD2-CG2 4.44Å; L46-L60 HydrophobicContact CD2-CD2 3.43Å; L46-L60 VanDerWaalsContact CD2-CD2 3.43Å; L46-L212 PolarHBondContact N-O 3.45Å; L46-N214 PolarHBondContact O-N 2.97Å; L46-I235 HydrophobicContact CD1-CB 3.76Å; L46-I235 HydrophobicContact CD1-CG2 3.64Å; L46-L237 HydrophobicContact CD1-CB 4.2Å
47S89.4Confident83.4Confident0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-133.2147.7178.8-63.20000110.1I235 L237S47-I235 PolarHBondContact N-O 3.36Å; S47-I235 VanDerWaalsContact N-O 3.11Å; S47-L237 PolarHBondContact O-N 3.47Å
48P90.3Very high85Confident0 Ų023.4 Ų23.40%013%0.126CC..EExtended strand (participates in β ladder)trans-67.3157.8175.831.3-38.2000111.5E53 N54 I57 L284 W288P48-E53 HydrophobicContact CB-CB 3.96Å; P48-N54 WeakPolarHBondContact CG-OD1 3.42Å; P48-I57 HydrophobicContact CB-CD1 3.85Å; P48-I57 HydrophobicContact CG-CD1 4.32Å; P48-L284 HydrophobicContact CB-CD2 4.35Å; P48-L284 HydrophobicContact CG-CD1 3.96Å; P48-L284 HydrophobicContact CG-CD2 3.79Å; P48-W288 PolarHBondContact O-NE1 2.9Å
49S87.4Confident86.2Confident31 Ų3120.6 Ų20.622%0.21711%0.109CC..SBendtrans-84.7-30.1163.3-171.70000111.2E53 L237S49-E53 WeakPolarHBondContact CA-OE2 3.43Å; S49-E53 PolarHBondContact N-OE2 2.94Å; S49-L237 WeakPolarHBondContact CB-O 3.46Å; S49-L237 PolarHBondContact N-O 3.27Å
50L86.4Confident86.6Confident63 Ų6320 Ų2033%0.3311%0.107SC..SBendtrans-139.3138.4-178.7-64173.4000110.5P52 E53 Q242L50-P52 VanDerWaalsContact C-N 3.34Å; L50-P52 WeakPolarHBondContact O-CD 3.42Å; L50-E53 HydrophobicContact CB-CG 4.35Å; L50-E53 PolarHBondContact N-OE2 3.27Å; L50-E53 VanDerWaalsContact O-CB 3.26Å; L50-E53 WeakPolarHBondContact O-CB 3.24Å; L50-E53 WeakPolarHBondContact O-CG 3.32Å; L50-E53 PolarHBondContact O-N 3.17Å; L50-Q242 HydrophobicContact CD1-CG 3.96Å; L50-Q242 VanDerWaalsContact CD1-NE2 3.32Å
51L85.3Confident86.9Confident26 Ų2615.3 Ų15.314%0.1369%0.089CC..G310 helixtrans-48-37-173.5-167.269.9000116.6E53 N54 L277 A280 E281L51-E53 PolarHBondContact O-N 2.86Å; L51-N54 WeakPolarHBondContact O-CB 3.42Å; L51-N54 PolarHBondContact O-N 3.43Å; L51-L277 HydrophobicContact CD2-CB 4.26Å; L51-L277 HydrophobicContact CD2-CD2 3.71Å; L51-L277 VanDerWaalsContact CD2-O 3.27Å; L51-L277 WeakPolarHBondContact CD2-O 3.39Å; L51-A280 HydrophobicContact CD1-CB 3.85Å; L51-A280 HydrophobicContact CD2-CB 4.01Å; L51-E281 HydrophobicContact CB-CB 4.47Å; L51-E281 HydrophobicContact CB-CG 4.26Å; L51-E281 HydrophobicContact CD2-CB 4.28Å
52P84.1Confident86.9Confident27 Ų2716.9 Ų16.918%0.17511%0.105CC..G310 helixtrans-62.2-24.6177.1-22.834.6000114.4L50 N54 E55 L245 Q246 I249L50-P52 VanDerWaalsContact C-N 3.34Å; L50-P52 WeakPolarHBondContact O-CD 3.42Å; P52-N54 PolarHBondContact O-N 2.86Å; P52-N54 VanDerWaalsContact O-N 3.15Å; P52-E55 PolarHBondContact O-N 2.99Å; P52-L245 HydrophobicContact CB-CD2 4.26Å; P52-Q246 HydrophobicContact CG-CG 4.49Å; P52-Q246 VanDerWaalsContact CG-NE2 3.3Å; P52-I249 HydrophobicContact CB-CD1 3.73Å; P52-I249 VanDerWaalsContact O-CD1 3.25Å; P52-I249 WeakPolarHBondContact O-CD1 3.4Å
53E87.9Confident87Confident0 Ų017.5 Ų17.50%011%0.109CC..G310 helixtrans-69.2-12.2-176.8-57.1173.6148.200112.2P48 S49 L50 L51 E55 I56 I57 L237 H238 V239 L245P48-E53 HydrophobicContact CB-CB 3.96Å; S49-E53 WeakPolarHBondContact CA-OE2 3.43Å; S49-E53 PolarHBondContact N-OE2 2.94Å; L50-E53 HydrophobicContact CB-CG 4.35Å; L50-E53 PolarHBondContact N-OE2 3.27Å; L50-E53 VanDerWaalsContact O-CB 3.26Å; L50-E53 WeakPolarHBondContact O-CB 3.24Å; L50-E53 WeakPolarHBondContact O-CG 3.32Å; L50-E53 PolarHBondContact O-N 3.17Å; L51-E53 PolarHBondContact O-N 2.86Å; E53-E55 VanDerWaalsContact C-N 3.29Å; E53-E55 PolarHBondContact O-N 2.89Å; E53-I56 WeakPolarHBondContact O-CA 3.12Å; E53-I56 WeakPolarHBondContact O-CB 3.39Å; E53-I56 PolarHBondContact O-N 3.26Å; E53-I57 PolarHBondContact O-N 3.15Å; E53-L237 HydrophobicContact CB-CD2 3.89Å; E53-L237 HydrophobicContact CG-CD2 4.38Å; E53-L237 VanDerWaalsContact OE2-O 3.13Å; E53-H238 WeakPolarHBondContact OE1-CA 3.41Å; E53-V239 HydrophobicContact CG-CG2 3.91Å; E53-V239 PolarHBondContact OE1-N 2.88Å; E53-L245 HydrophobicContact CG-CD2 4.01Å
54N87.1Confident86.8Confident36 Ų3618 Ų1819%0.19311%0.112CC..Hα-helixtrans-60-31.3172.8-80.4-29.3000114P48 L51 P52 I56 I57 S58 N214P48-N54 WeakPolarHBondContact CG-OD1 3.42Å; L51-N54 WeakPolarHBondContact O-CB 3.42Å; L51-N54 PolarHBondContact O-N 3.43Å; P52-N54 PolarHBondContact O-N 2.86Å; P52-N54 VanDerWaalsContact O-N 3.15Å; N54-I56 VanDerWaalsContact C-N 3.33Å; N54-I57 PolarHBondContact O-N 2.98Å; N54-S58 PolarHBondContact O-N 2.77Å; N54-N214 PolarHBondContact OD1-ND2 2.96Å; N54-N214 PolarHBondContact OD1-OD1 3.01Å
55E84.6Confident86.6Confident48 Ų4823.3 Ų23.322%0.22414%0.144CC..Hα-helixtrans-67.4-33.6171.9-84.9-89.2-173.500111.4P52 E53 S58 I59 I249 Q252 K256 R328P52-E55 PolarHBondContact O-N 2.99Å; E53-E55 VanDerWaalsContact C-N 3.29Å; E53-E55 PolarHBondContact O-N 2.89Å; E55-S58 PolarHBondContact O-N 3.47Å; E55-S58 PolarHBondContact O-OG 3.22Å; E55-I59 WeakPolarHBondContact O-CG1 3.36Å; E55-I59 PolarHBondContact O-N 3.04Å; E55-I249 HydrophobicContact CB-CD1 4.35Å; E55-I249 HydrophobicContact CB-CG1 4.42Å; E55-Q252 VanDerWaalsContact CD-OE1 3.24Å; E55-Q252 PolarHBondContact OE1-NE2 3.3Å; E55-Q252 VanDerWaalsContact OE1-NE2 3.11Å; E55-Q252 PolarHBondContact OE1-OE1 3.43Å; E55-Q252 PolarHBondContact OE2-NE2 3.06Å; E55-Q252 PolarHBondContact OE2-OE1 3.1Å; E55-K256 IonicContact OE1-NZ 2.86Å; E55-K256 PolarHBondContact OE1-NZ 3.18Å; E55-K256 VanDerWaalsContact OE1-NZ 3.1Å; E55-R328 IonicContact OE2-NH1 2.66Å; E55-R328 IonicContact OE2-NH2 2.77Å; E55-R328 PolarHBondContact OE2-NH2 3.45Å
56I86.2Confident86.1Confident0 Ų029.4 Ų29.40%018%0.177CC..Hα-helixtrans-70.3-43.4175.2-60.9-64.7000110.9E53 N54 S58 I59 L60 V239 L245 L318 L322 F331 M335E53-I56 WeakPolarHBondContact O-CA 3.12Å; E53-I56 WeakPolarHBondContact O-CB 3.39Å; E53-I56 PolarHBondContact O-N 3.26Å; N54-I56 VanDerWaalsContact C-N 3.33Å; I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 3.26Å; I56-I59 HydrophobicContact CD1-CD1 4.49Å; I56-I59 WeakPolarHBondContact O-CB 3.49Å; I56-I59 PolarHBondContact O-N 3.18Å; I56-I59 VanDerWaalsContact O-N 3.09Å; I56-L60 PolarHBondContact O-N 2.99Å; I56-L60 VanDerWaalsContact O-N 3.15Å; I56-V239 HydrophobicContact CG1-CG2 4.47Å; I56-L245 HydrophobicContact CD1-CD1 3.66Å; I56-L245 HydrophobicContact CG1-CD1 3.63Å; I56-L245 HydrophobicContact CG1-CD2 4.1Å; I56-L318 HydrophobicContact CD1-CD1 4.05Å; I56-L322 HydrophobicContact CD1-CD2 4.18Å; I56-F331 HydrophobicContact CD1-CE1 3.66Å; I56-F331 HydrophobicContact CD1-CZ 3.97Å; I56-F331 HydrophobicContact CG2-CE1 3.97Å; I56-F331 HydrophobicContact CG2-CZ 3.84Å; I56-M335 HydrophobicContact CG2-CE 3.51Å
57I86.2Confident85Confident1 Ų130.3 Ų30.31%0.00519%0.186CC..Hα-helixtrans-60.5-37174-69.5172.1000111.2L46 P48 E53 N54 I59 L60 A61 V213 L237L46-I57 HydrophobicContact CD2-CG1 4.47Å; L46-I57 HydrophobicContact CD2-CG2 4.44Å; P48-I57 HydrophobicContact CB-CD1 3.85Å; P48-I57 HydrophobicContact CG-CD1 4.32Å; E53-I57 PolarHBondContact O-N 3.15Å; N54-I57 PolarHBondContact O-N 2.98Å; I57-I59 VanDerWaalsContact C-N 3.29Å; I57-I59 PolarHBondContact O-N 3.06Å; I57-L60 PolarHBondContact O-N 3.35Å; I57-A61 WeakPolarHBondContact O-CB 3.38Å; I57-A61 PolarHBondContact O-N 3.05Å; I57-V213 HydrophobicContact CG2-CG1 3.23Å; I57-L237 HydrophobicContact CD1-CB 4.43Å; I57-L237 HydrophobicContact CG1-CD1 3.96Å
58S86.2Confident84.3Confident48 Ų4834.2 Ų34.234%0.33620%0.204SC..Hα-helixtrans-61.7-34.5174.286.40000113.3N54 E55 I56 A62 R328N54-S58 PolarHBondContact O-N 2.77Å; E55-S58 PolarHBondContact O-N 3.47Å; E55-S58 PolarHBondContact O-OG 3.22Å; I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 3.26Å; S58-A62 WeakPolarHBondContact O-CB 3.39Å; S58-A62 PolarHBondContact O-N 3.06Å; S58-R328 PolarHBondContact OG-NH2 3.25Å
59I85.2Confident83.9Confident2 Ų234.9 Ų34.91%0.0121%0.207CC..Hα-helixtrans-70.7-42.1178-65.7166.3000110.4E55 I56 I57 S63 L322 R328 F331E55-I59 WeakPolarHBondContact O-CG1 3.36Å; E55-I59 PolarHBondContact O-N 3.04Å; I56-I59 HydrophobicContact CD1-CD1 4.49Å; I56-I59 WeakPolarHBondContact O-CB 3.49Å; I56-I59 PolarHBondContact O-N 3.18Å; I56-I59 VanDerWaalsContact O-N 3.09Å; I57-I59 VanDerWaalsContact C-N 3.29Å; I57-I59 PolarHBondContact O-N 3.06Å; I59-S63 WeakPolarHBondContact O-CB 3.43Å; I59-S63 PolarHBondContact O-N 2.89Å; I59-S63 PolarHBondContact O-OG 3.3Å; I59-L322 HydrophobicContact CD1-CD2 3.72Å; I59-R328 HydrophobicContact CD1-CG 4.18Å; I59-R328 HydrophobicContact CG1-CG 4.28Å; I59-R328 VanDerWaalsContact CG1-NH2 3.3Å; I59-R328 HydrophobicContact CG2-CB 4.27Å; I59-R328 WeakPolarHBondContact CG2-O 3.32Å; I59-F331 HydrophobicContact CD1-CD1 4.16Å; I59-F331 HydrophobicContact CD1-CE1 4.2Å; I59-F331 HydrophobicContact CG2-CD1 3.94Å; I59-F331 HydrophobicContact CG2-CE1 4.44Å
60L86.9Confident83.3Confident3 Ų335.7 Ų35.72%0.01621%0.207CC..Hα-helixtrans-60-50.8172.917767.7000110.6L46 I56 I57 A62 S63 V64 M335 F336 I339L46-L60 HydrophobicContact CD2-CD2 3.43Å; L46-L60 VanDerWaalsContact CD2-CD2 3.43Å; I56-L60 PolarHBondContact O-N 2.99Å; I56-L60 VanDerWaalsContact O-N 3.15Å; I57-L60 PolarHBondContact O-N 3.35Å; L60-A62 PolarHBondContact O-N 3.26Å; L60-S63 WeakPolarHBondContact O-CA 3.46Å; L60-S63 WeakPolarHBondContact O-CB 3.41Å; L60-S63 PolarHBondContact O-N 3.43Å; L60-V64 HydrophobicContact CD1-CG2 4.49Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.41Å; L60-M335 HydrophobicContact CD1-CB 4.09Å; L60-F336 HydrophobicContact CD1-CB 3.85Å; L60-I339 HydrophobicContact CD1-CD1 4.16Å; L60-I339 HydrophobicContact CD2-CD1 3.47Å; L60-I339 VanDerWaalsContact CD2-CD1 3.47Å; L60-I339 HydrophobicContact CG-CD1 4.47Å
61A87.1Confident83.1Confident13 Ų1335 Ų3511%0.10720%0.2CC..Hα-helixtrans-54.5-50.2179.500000112.3I57 S63 V64 V65 V74I57-A61 WeakPolarHBondContact O-CB 3.38Å; I57-A61 PolarHBondContact O-N 3.05Å; A61-S63 PolarHBondContact O-N 3.33Å; A61-V64 PolarHBondContact O-N 2.89Å; A61-V65 WeakPolarHBondContact O-CG2 3.38Å; A61-V65 PolarHBondContact O-N 3.36Å; A61-V65 VanDerWaalsContact O-N 3.1Å; A61-V74 HydrophobicContact CB-CG1 3.97Å
62A85.7Confident83.2Confident49 Ų4934.5 Ų34.541%0.40520%0.197SC..Hα-helixtrans-60.5-32.9175.500000112.9S58 L60 V65 N66S58-A62 WeakPolarHBondContact O-CB 3.39Å; S58-A62 PolarHBondContact O-N 3.06Å; L60-A62 PolarHBondContact O-N 3.26Å; A62-V65 PolarHBondContact O-N 3.47Å; A62-N66 WeakPolarHBondContact O-CB 3.42Å; A62-N66 VanDerWaalsContact O-CG 3.23Å; A62-N66 PolarHBondContact O-N 3.42Å; A62-N66 PolarHBondContact O-ND2 2.9Å
63S85.2Confident83.3Confident13 Ų1334.9 Ų34.99%0.09120%0.199CC..Hα-helixtrans-74.1-35.1179.1-580000112.8I59 L60 A61 G67 G332I59-S63 WeakPolarHBondContact O-CB 3.43Å; I59-S63 PolarHBondContact O-N 2.89Å; I59-S63 PolarHBondContact O-OG 3.3Å; L60-S63 WeakPolarHBondContact O-CA 3.46Å; L60-S63 WeakPolarHBondContact O-CB 3.41Å; L60-S63 PolarHBondContact O-N 3.43Å; A61-S63 PolarHBondContact O-N 3.33Å; S63-G67 PolarHBondContact O-N 3.07Å; S63-G332 VanDerWaalsContact OG-CA 3.3Å; S63-G332 WeakPolarHBondContact OG-CA 3.23Å
64V84.3Confident83.4Confident11 Ų1135.6 Ų35.67%0.06720%0.203CC..Hα-helixtrans-67.3-40.1171.4-172.40000111L60 A61 G67 F72 V74 L211 F336L60-V64 HydrophobicContact CD1-CG2 4.49Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.41Å; A61-V64 PolarHBondContact O-N 2.89Å; V64-G67 VanDerWaalsContact O-CA 3.29Å; V64-G67 WeakPolarHBondContact O-CA 3.23Å; V64-G67 PolarHBondContact O-N 3.49Å; V64-F72 HydrophobicContact CG1-CB 3.74Å; V64-V74 HydrophobicContact CB-CG2 3.66Å; V64-V74 HydrophobicContact CG1-CG2 3.9Å; V64-V74 HydrophobicContact CG2-CG2 3.73Å; V64-L211 HydrophobicContact CG2-CD1 4.32Å; V64-F336 HydrophobicContact CB-CE2 4.5Å; V64-F336 HydrophobicContact CG1-CE2 4.2Å; V64-F336 HydrophobicContact CG1-CZ 4.35Å; V64-F336 HydrophobicContact CG2-CD2 3.62Å; V64-F336 HydrophobicContact CG2-CE2 3.75Å; V64-F336 HydrophobicContact CG2-CG 4.22Å; V64-F336 HydrophobicContact CG2-CZ 4.43Å
65V83.8Confident83.5Confident114 Ų11434.1 Ų34.169%0.69120%0.195SC*.Hα-helixtrans-67.6-36.9177.3173.90000112.1A61 A62 G67A61-V65 WeakPolarHBondContact O-CG2 3.38Å; A61-V65 PolarHBondContact O-N 3.36Å; A61-V65 VanDerWaalsContact O-N 3.1Å; A62-V65 PolarHBondContact O-N 3.47Å; V65-G67 VanDerWaalsContact C-N 3.31Å
66N79.1Confident83.7Confident132 Ų13233.5 Ų33.571%0.70620%0.195SC*.Hα-helixtrans-70.1-26.3172.5-73.1-28.9000112.9A62A62-N66 WeakPolarHBondContact O-CB 3.42Å; A62-N66 VanDerWaalsContact O-CG 3.23Å; A62-N66 PolarHBondContact O-N 3.42Å; A62-N66 PolarHBondContact O-ND2 2.9Å
67G67.4Low83.6Confident19 Ų1936.8 Ų36.820%0.19621%0.208CC..  trans74.481.8151.800000117.6S63 V64 V65 R69 Y197S63-G67 PolarHBondContact O-N 3.07Å; V64-G67 VanDerWaalsContact O-CA 3.29Å; V64-G67 WeakPolarHBondContact O-CA 3.23Å; V64-G67 PolarHBondContact O-N 3.49Å; V65-G67 VanDerWaalsContact C-N 3.31Å; G67-R69 VanDerWaalsContact C-N 3.35Å; G67-Y197 WeakPolarHBondContact O-CE1 3.16Å
68Q74Confident83.6Confident82 Ų8243 Ų4338%0.38324%0.237SC..SBendtrans-80.1-13.8163.8-67.8-175-700113.7Y197 L198Q68-Y197 WeakPolarHBondContact O-CA 3.21Å; Q68-L198 HydrophobicContact CB-CD1 4.06Å; Q68-L198 HydrophobicContact CB-CG 4.39Å; Q68-L198 PolarHBondContact O-N 3.49Å
69R80.6Confident83.6Confident14 Ų1444 Ų445%0.05324%0.239CC..  trans-127.6160.2-180-67.7-169.1-178.683.911.6110.9G67 F72 D200 E201 F336 N337 S340 Y344G67-R69 VanDerWaalsContact C-N 3.35Å; R69-F72 HydrophobicContact CB-CD2 3.91Å; R69-F72 HydrophobicContact CB-CE2 4.48Å; R69-D200 IonicContact CZ-OD1 2.7Å; R69-D200 IonicContact CZ-OD2 3.71Å; R69-D200 IonicContact NE-OD1 3.46Å; R69-D200 PolarHBondContact NE-OD1 2.83Å; R69-D200 VanDerWaalsContact NE-OD1 3.1Å; R69-D200 IonicContact NE-OD2 2.7Å; R69-D200 PolarHBondContact NE-OD2 2.63Å; R69-D200 IonicContact NH2-OD1 3.13Å; R69-D200 IonicContact NH2-OD2 3.8Å; R69-D200 PolarHBondContact NH2-OD2 3.03Å; R69-E201 WeakPolarHBondContact CB-OE1 3.49Å; R69-E201 HydrophobicContact CG-CG 4.48Å; R69-F336 HydrophobicContact CB-CE1 4Å; R69-F336 HydrophobicContact CB-CZ 3.95Å; R69-F336 HydrophobicContact CG-CE1 3.97Å; R69-F336 HydrophobicContact CG-CZ 4.2Å; R69-N337 VanDerWaalsContact CZ-OD1 3.25Å; R69-N337 PolarHBondContact NH1-OD1 3.11Å; R69-N337 PolarHBondContact NH2-OD1 3.18Å; R69-S340 PolarHBondContact NH1-OG 2.78Å; R69-Y344 VanDerWaalsContact CD-OH 3.28Å; R69-Y344 WeakPolarHBondContact CD-OH 3.28Å; R69-Y344 PolarHBondContact NE-OH 3.2Å
70Q76.6Confident83.7Confident49 Ų4944 Ų4423%0.22924%0.238CC..SBendtrans-103.7-30.7-170.9-60.1-175.219.500114.2Y197 E201 R208Q70-Y197 HydrophobicContact CG-CD1 3.42Å; Q70-Y197 VanDerWaalsContact CG-CD1 3.42Å; Q70-Y197 HydrophobicContact CG-CD2 3.67Å; Q70-Y197 HydrophobicContact CG-CE1 3.8Å; Q70-Y197 HydrophobicContact CG-CE2 4.02Å; Q70-Y197 HydrophobicContact CG-CG 3.33Å; Q70-E201 PolarHBondContact N-OE1 3.29Å; Q70-R208 PolarHBondContact O-NH2 3.09Å
71R81.4Confident83.7Confident49 Ų4945.7 Ų45.719%0.18525%0.247CC..SBendtrans-83-13.5-175.8-68.6177.4-146.7-138.39113.2E201 D203 I206 R208 Y209R71-E201 WeakPolarHBondContact CD-OE2 3.49Å; R71-E201 VanDerWaalsContact CG-OE2 3.22Å; R71-E201 WeakPolarHBondContact CG-OE2 3.34Å; R71-E201 IonicContact CZ-OE2 3.41Å; R71-E201 PolarHBondContact N-OE1 3.3Å; R71-E201 IonicContact NE-OE2 3.63Å; R71-E201 PolarHBondContact NE-OE2 3.45Å; R71-D203 IonicContact CZ-OD1 3.85Å; R71-D203 IonicContact NH1-OD1 3Å; R71-D203 PolarHBondContact NH1-OD1 3.34Å; R71-D203 IonicContact NH2-OD1 2.75Å; R71-D203 PolarHBondContact NH2-OD1 3.42Å; R71-I206 PolarHBondContact NH1-O 2.86Å; R71-R208 CarbonylContact O-C 3.6Å; R71-R208 VanDerWaalsContact O-CA 3.24Å; R71-R208 WeakPolarHBondContact O-CA 3.19Å; R71-R208 WeakPolarHBondContact O-CG 3.49Å; R71-R208 PolarHBondContact O-NE 3.05Å; R71-R208 VanDerWaalsContact O-NE 3.09Å; R71-Y209 HydrophobicContact CB-CD2 3.9Å; R71-Y209 HydrophobicContact CB-CE2 4.26Å; R71-Y209 PolarHBondContact O-N 3.1Å
72F88.3Confident83.6Confident14 Ų1448.8 Ų48.86%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-82.3152.5-177.8-74.4-93.9000113.7V64 R69 Y209 F336 S340 L343 Y344V64-F72 HydrophobicContact CG1-CB 3.74Å; R69-F72 HydrophobicContact CB-CD2 3.91Å; R69-F72 HydrophobicContact CB-CE2 4.48Å; F72-Y209 CarbonylContact C-O 3.59Å; F72-Y209 WeakPolarHBondContact CA-O 3.45Å; F72-Y209 HydrophobicContact CD1-CG 4.4Å; F72-Y209 HydrophobicContact CE1-CD1 4.47Å; F72-Y209 HydrophobicContact CE1-CD2 4.49Å; F72-Y209 AromaticContact CE1-CG 3.97Å; F72-Y209 HydrophobicContact CE1-CG 3.97Å; F72-Y209 HydrophobicContact CE2-CD2 4.15Å; F72-Y209 HydrophobicContact CE2-CG 4.42Å; F72-Y209 HydrophobicContact CZ-CD1 4.43Å; F72-Y209 HydrophobicContact CZ-CD2 4.13Å; F72-Y209 AromaticContact CZ-CG 3.97Å; F72-Y209 HydrophobicContact CZ-CG 3.97Å; F72-F336 HydrophobicContact CB-CE2 4.1Å; F72-F336 HydrophobicContact CB-CZ 3.94Å; F72-F336 AromaticContact CD1-CE2 3.73Å; F72-F336 HydrophobicContact CD1-CE2 3.73Å; F72-F336 HydrophobicContact CD1-CZ 4.25Å; F72-F336 HydrophobicContact CD2-CE2 4Å; F72-F336 AromaticContact CD2-CZ 3.7Å; F72-F336 HydrophobicContact CD2-CZ 3.7Å; F72-F336 HydrophobicContact CE1-CE2 4.14Å; F72-F336 HydrophobicContact CE2-CE2 4.38Å; F72-F336 HydrophobicContact CE2-CZ 4.27Å; F72-F336 AromaticContact CG-CE2 3.65Å; F72-F336 HydrophobicContact CG-CE2 3.65Å; F72-F336 AromaticContact CG-CZ 3.68Å; F72-F336 HydrophobicContact CG-CZ 3.68Å; F72-F336 HydrophobicContact CZ-CE2 4.45Å; F72-S340 WeakPolarHBondContact CZ-OG 3.45Å; F72-L343 HydrophobicContact CE1-CD1 4.04Å; F72-Y344 HydrophobicContact CE2-CE1 4.14Å; F72-Y344 HydrophobicContact CZ-CE1 4.07Å
73T85.6Confident83.4Confident36 Ų3648.9 Ų48.922%0.22125%0.254CS..EExtended strand (participates in β ladder)trans-151.8129.3170.4-63.40000109I75 I132 R208 Y209 I210 L211T73-I75 HydrophobicContact CG2-CG1 4.4Å; T73-I132 HydrophobicContact CG2-CD1 4.36Å; T73-R208 WeakPolarHBondContact OG1-CD 3.32Å; T73-R208 PolarHBondContact OG1-NE 3.47Å; T73-Y209 PolarHBondContact N-O 3.09Å; T73-I210 WeakPolarHBondContact O-CA 3.27Å; T73-L211 PolarHBondContact O-N 2.92Å
74V89.6Confident83.4Confident15 Ų1548.3 Ų48.39%0.09125%0.25CC..EExtended strand (participates in β ladder)trans-94.2144.3168.9164.80000109A61 V64 T76 L211 V213A61-V74 HydrophobicContact CB-CG1 3.97Å; V64-V74 HydrophobicContact CB-CG2 3.66Å; V64-V74 HydrophobicContact CG1-CG2 3.9Å; V64-V74 HydrophobicContact CG2-CG2 3.73Å; V74-T76 HydrophobicContact CG1-CG2 4.26Å; V74-L211 WeakPolarHBondContact CA-O 2.97Å; V74-L211 HydrophobicContact CG2-CB 3.94Å; V74-L211 HydrophobicContact CG2-CD1 3.97Å; V74-L211 HydrophobicContact CG2-CG 4.5Å; V74-V213 HydrophobicContact CG1-CB 4.32Å; V74-V213 HydrophobicContact CG1-CG2 3.77Å; V74-V213 HydrophobicContact CG2-CG2 4.48Å
75I88.8Confident83.3Confident5 Ų550.9 Ų50.93%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-130.5122.7168-60.7171.7000107.1T73 D79 V80 L125 M128 F129 I132 I210 L211 L212 V213 F215T73-I75 HydrophobicContact CG2-CG1 4.4Å; I75-D79 HydrophobicContact CG2-CB 4.36Å; I75-V80 HydrophobicContact CG2-CG2 3.83Å; I75-L125 HydrophobicContact CG2-CD2 4.35Å; I75-M128 HydrophobicContact CD1-CE 4.22Å; I75-M128 HydrophobicContact CG1-CE 4.45Å; I75-M128 HydrophobicContact CG2-CE 3.74Å; I75-F129 HydrophobicContact CD1-CD1 4.41Å; I75-F129 HydrophobicContact CD1-CE1 3.95Å; I75-I132 HydrophobicContact CD1-CD1 4.18Å; I75-I210 HydrophobicContact CD1-CG2 3.85Å; I75-I210 HydrophobicContact CG1-CG2 4.33Å; I75-L211 PolarHBondContact N-O 3.1Å; I75-L212 HydrophobicContact CB-CD2 3.97Å; I75-L212 HydrophobicContact CD1-CD2 4.19Å; I75-L212 HydrophobicContact CG2-CD2 4.32Å; I75-V213 PolarHBondContact O-N 3.28Å; I75-F215 HydrophobicContact CG2-CZ 4.33Å; I75-F215 WeakPolarHBondContact O-CE2 3.43Å
76T88.8Confident83.1Confident35 Ų3549.4 Ų49.422%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-98.116816767.70000110.5V74 E78 D79 V80 V213V74-T76 HydrophobicContact CG1-CG2 4.26Å; T76-E78 PolarHBondContact O-N 2.92Å; T76-E78 PolarHBondContact OG1-N 3.43Å; T76-D79 WeakPolarHBondContact CB-OD2 2.97Å; T76-D79 PolarHBondContact N-OD2 2.9Å; T76-D79 PolarHBondContact O-N 2.95Å; T76-D79 PolarHBondContact OG1-N 3.28Å; T76-D79 VanDerWaalsContact OG1-N 3.14Å; T76-D79 PolarHBondContact OG1-OD2 3.29Å; T76-V80 WeakPolarHBondContact O-CG2 3.23Å; T76-V80 PolarHBondContact O-N 3.19Å; T76-V213 HydrophobicContact CG2-CB 4.31Å; T76-V213 HydrophobicContact CG2-CG1 4.37Å
77Y85.4Confident83Confident68 Ų6844.6 Ų44.627%0.26723%0.225SC..Hα-helixtrans-61-31.3170.1-172.1-112.6000112.4V80 L81 L116 L121Y77-V80 WeakPolarHBondContact O-CB 3.09Å; Y77-V80 PolarHBondContact O-N 2.57Å; Y77-L81 HydrophobicContact CD1-CD1 3.99Å; Y77-L81 HydrophobicContact CD1-CG 4.33Å; Y77-L81 HydrophobicContact CE1-CD1 3.74Å; Y77-L81 HydrophobicContact CE1-CD2 4.26Å; Y77-L81 HydrophobicContact CE1-CG 4.09Å; Y77-L81 WeakPolarHBondContact O-CG 3.49Å; Y77-L81 PolarHBondContact O-N 3.43Å; Y77-L81 VanDerWaalsContact O-N 3.09Å; Y77-L116 HydrophobicContact CE2-CB 4.49Å; Y77-L116 HydrophobicContact CE2-CD1 4.25Å; Y77-L116 PolarHBondContact OH-N 3.39Å; Y77-L121 HydrophobicContact CD2-CD1 4.27Å; Y77-L121 HydrophobicContact CE2-CD1 4.08Å
78E85.9Confident83.2Confident132 Ų13245.6 Ų45.662%0.61723%0.228SC*.Hα-helixtrans-65.4-39.2175-154.6-160.3133.400111.8T76 V80 L81 N82T76-E78 PolarHBondContact O-N 2.92Å; T76-E78 PolarHBondContact OG1-N 3.43Å; E78-V80 VanDerWaalsContact C-N 3.31Å; E78-V80 PolarHBondContact O-N 2.76Å; E78-L81 PolarHBondContact O-N 2.73Å; E78-N82 VanDerWaalsContact O-CB 3.29Å; E78-N82 WeakPolarHBondContact O-CB 3.25Å; E78-N82 PolarHBondContact O-N 2.77Å; E78-N82 PolarHBondContact O-ND2 2.88Å; E78-N82 VanDerWaalsContact O-ND2 3.12Å; E78-N82 PolarHBondContact OE1-ND2 3.28Å; E78-N82 VanDerWaalsContact OE1-ND2 3.15Å
79D86.2Confident82.9Confident70 Ų7049 Ų4937%0.37424%0.241SC..Hα-helixtrans-62.8-38174.8-62.8-62.4000112I75 T76 Q83I75-D79 HydrophobicContact CG2-CB 4.36Å; T76-D79 WeakPolarHBondContact CB-OD2 2.97Å; T76-D79 PolarHBondContact N-OD2 2.9Å; T76-D79 PolarHBondContact O-N 2.95Å; T76-D79 PolarHBondContact OG1-N 3.28Å; T76-D79 VanDerWaalsContact OG1-N 3.14Å; T76-D79 PolarHBondContact OG1-OD2 3.29Å; D79-Q83 WeakPolarHBondContact O-CB 3.42Å; D79-Q83 PolarHBondContact O-N 3.28Å
80V87Confident82Confident0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-61.5-50.1174.9-179.60000110.4I75 T76 Y77 E78 Q83 I84 L121 V124 L125 M128 F215I75-V80 HydrophobicContact CG2-CG2 3.83Å; T76-V80 WeakPolarHBondContact O-CG2 3.23Å; T76-V80 PolarHBondContact O-N 3.19Å; Y77-V80 WeakPolarHBondContact O-CB 3.09Å; Y77-V80 PolarHBondContact O-N 2.57Å; E78-V80 VanDerWaalsContact C-N 3.31Å; E78-V80 PolarHBondContact O-N 2.76Å; V80-Q83 PolarHBondContact O-N 2.94Å; V80-I84 HydrophobicContact CG1-CD1 4.08Å; V80-I84 WeakPolarHBondContact O-CG1 3.5Å; V80-I84 PolarHBondContact O-N 3.19Å; V80-L121 HydrophobicContact CG1-CD1 4.06Å; V80-V124 HydrophobicContact CG1-CG1 3.66Å; V80-L125 HydrophobicContact CG2-CD2 4.14Å; V80-M128 HydrophobicContact CB-SD 4.22Å; V80-M128 HydrophobicContact CG1-SD 4.15Å; V80-M128 HydrophobicContact CG2-CE 4.05Å; V80-M128 HydrophobicContact CG2-SD 3.79Å; V80-F215 HydrophobicContact CG2-CE1 4.35Å; V80-F215 HydrophobicContact CG2-CZ 3.95Å
81L85.8Confident80.9Confident39 Ų3959.5 Ų59.520%0.20429%0.293CS..Hα-helixtrans-61.8-46.8177.6-65177.8000111.5Y77 E78 Q83 I84 F85 I110Y77-L81 HydrophobicContact CD1-CD1 3.99Å; Y77-L81 HydrophobicContact CD1-CG 4.33Å; Y77-L81 HydrophobicContact CE1-CD1 3.74Å; Y77-L81 HydrophobicContact CE1-CD2 4.26Å; Y77-L81 HydrophobicContact CE1-CG 4.09Å; Y77-L81 WeakPolarHBondContact O-CG 3.49Å; Y77-L81 PolarHBondContact O-N 3.43Å; Y77-L81 VanDerWaalsContact O-N 3.09Å; E78-L81 PolarHBondContact O-N 2.73Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.02Å; L81-I84 PolarHBondContact O-N 3.11Å; L81-F85 WeakPolarHBondContact O-CD2 3.45Å; L81-F85 PolarHBondContact O-N 2.75Å; L81-I110 HydrophobicContact CD2-CD1 3.5Å; L81-I110 VanDerWaalsContact CD2-CD1 3.5Å; L81-I110 HydrophobicContact CD2-CG1 4.17Å
82N85.2Confident79.7Confident78 Ų7859.4 Ų59.442%0.41730%0.299SS..Hα-helixtrans-59.5-42.4177.4-81.8-44.9000111.4E78 F85 V86E78-N82 VanDerWaalsContact O-CB 3.29Å; E78-N82 WeakPolarHBondContact O-CB 3.25Å; E78-N82 PolarHBondContact O-N 2.77Å; E78-N82 PolarHBondContact O-ND2 2.88Å; E78-N82 VanDerWaalsContact O-ND2 3.12Å; E78-N82 PolarHBondContact OE1-ND2 3.28Å; E78-N82 VanDerWaalsContact OE1-ND2 3.15Å; N82-F85 PolarHBondContact O-N 2.94Å; N82-V86 WeakPolarHBondContact O-CB 3.35Å; N82-V86 VanDerWaalsContact O-CG2 3.23Å; N82-V86 WeakPolarHBondContact O-CG2 3.43Å; N82-V86 PolarHBondContact O-N 2.66Å
83Q83.2Confident78.2Confident51 Ų5166.5 Ų66.524%0.23833%0.333CS..Hα-helixtrans-64.6-44.1176-178158.8-19.300112D79 V80 L81 V86 Q87 M128D79-Q83 WeakPolarHBondContact O-CB 3.42Å; D79-Q83 PolarHBondContact O-N 3.28Å; V80-Q83 PolarHBondContact O-N 2.94Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.02Å; Q83-V86 PolarHBondContact O-N 2.66Å; Q83-Q87 HydrophobicContact CG-CG 4.4Å; Q83-Q87 WeakPolarHBondContact O-CG 3.45Å; Q83-Q87 PolarHBondContact O-N 3.24Å; Q83-M128 HydrophobicContact CB-CE 4.47Å
84I83.5Confident76.7Confident1 Ų173.9 Ų73.91%0.00536%0.362CS..Hα-helixtrans-55.4-54.1173.8-69.2162.4000110.2V80 L81 V86 Q87 C88 C103 A106 K107 I110 L116 V124V80-I84 HydrophobicContact CG1-CD1 4.08Å; V80-I84 WeakPolarHBondContact O-CG1 3.5Å; V80-I84 PolarHBondContact O-N 3.19Å; L81-I84 PolarHBondContact O-N 3.11Å; I84-V86 VanDerWaalsContact C-N 3.28Å; I84-V86 PolarHBondContact O-N 2.98Å; I84-Q87 PolarHBondContact O-N 2.88Å; I84-C88 PolarHBondContact O-N 3.09Å; I84-C88 VanDerWaalsContact O-N 3.11Å; I84-C88 PolarHBondContact O-SG 2.78Å; I84-C88 VanDerWaalsContact O-SG 3.33Å; I84-C103 HydrophobicContact CG2-CB 4.39Å; I84-C103 WeakPolarHBondContact CG2-O 3.33Å; I84-A106 HydrophobicContact CD1-CB 3.78Å; I84-A106 HydrophobicContact CG1-CB 4.29Å; I84-K107 HydrophobicContact CG2-CB 3.87Å; I84-I110 HydrophobicContact CD1-CD1 3.9Å; I84-I110 HydrophobicContact CG2-CD1 4.43Å; I84-L116 HydrophobicContact CD1-CD1 4.04Å; I84-V124 HydrophobicContact CD1-CG1 4.17Å; I84-V124 HydrophobicContact CD1-CG2 4.44Å; I84-V124 HydrophobicContact CG1-CG1 4.2Å
85F82.2Confident75.3Confident66 Ų6679.6 Ų79.629%0.28939%0.392SS..Hα-helixtrans-67.2-23.7-178.5-73.7-60.5000114.2L81 N82 K89 K107 I110L81-F85 WeakPolarHBondContact O-CD2 3.45Å; L81-F85 PolarHBondContact O-N 2.75Å; N82-F85 PolarHBondContact O-N 2.94Å; F85-K89 WeakPolarHBondContact O-CD 3.44Å; F85-K89 VanDerWaalsContact O-CE 3.24Å; F85-K89 WeakPolarHBondContact O-CE 3.49Å; F85-K89 WeakPolarHBondContact O-CG 3.41Å; F85-K107 HydrophobicContact CE1-CG 4.25Å; F85-I110 HydrophobicContact CZ-CG2 4.33Å
86V80.9Confident74.1Confident82 Ų8280.6 Ų80.650%0.49740%0.401SS..Hα-helixtrans-74.8-46.7172.6164.60000110.8N82 Q83 I84 K89N82-V86 WeakPolarHBondContact O-CB 3.35Å; N82-V86 VanDerWaalsContact O-CG2 3.23Å; N82-V86 WeakPolarHBondContact O-CG2 3.43Å; N82-V86 PolarHBondContact O-N 2.66Å; Q83-V86 PolarHBondContact O-N 2.66Å; I84-V86 VanDerWaalsContact C-N 3.28Å; I84-V86 PolarHBondContact O-N 2.98Å; V86-K89 PolarHBondContact O-N 3.42Å
87Q77Confident73.3Confident32 Ų3280.2 Ų80.215%0.1540%0.399CS..Hα-helixtrans-62.4-47.4-179.5-64.2-59.3-2200111.4Q83 I84 K89 T90 C103 F127Q83-Q87 HydrophobicContact CG-CG 4.4Å; Q83-Q87 WeakPolarHBondContact O-CG 3.45Å; Q83-Q87 PolarHBondContact O-N 3.24Å; I84-Q87 PolarHBondContact O-N 2.88Å; Q87-K89 PolarHBondContact O-N 2.64Å; Q87-T90 WeakPolarHBondContact O-CB 3.44Å; Q87-T90 PolarHBondContact O-N 3.29Å; Q87-T90 PolarHBondContact O-OG1 2.83Å; Q87-C103 HydrophobicContact CB-CB 4.07Å; Q87-F127 HydrophobicContact CG-CE1 4.42Å; Q87-F127 HydrophobicContact CG-CZ 4.21Å
88C71.5Confident72.9Confident40 Ų4082.5 Ų82.527%0.2741%0.412SS..THydrogen-bonded Turntrans-62.7-12.6178.2-610000114.5I84 D104 K107I84-C88 PolarHBondContact O-N 3.09Å; I84-C88 VanDerWaalsContact O-N 3.11Å; I84-C88 PolarHBondContact O-SG 2.78Å; I84-C88 VanDerWaalsContact O-SG 3.33Å; C88-D104 PolarHBondContact SG-OD1 2.64Å; C88-K107 HydrophobicContact CB-CD 3.77Å
89K68.1Low72.5Confident152 Ų15277 Ų7766%0.66139%0.386SS*.THydrogen-bonded Turntrans-86.9-13173.4-73166.4-168.1161.80113.1F85 V86 Q87 K91F85-K89 WeakPolarHBondContact O-CD 3.44Å; F85-K89 VanDerWaalsContact O-CE 3.24Å; F85-K89 WeakPolarHBondContact O-CE 3.49Å; F85-K89 WeakPolarHBondContact O-CG 3.41Å; V86-K89 PolarHBondContact O-N 3.42Å; Q87-K89 PolarHBondContact O-N 2.64Å; K89-K91 PolarHBondContact O-N 2.75Å; K89-K91 VanDerWaalsContact O-N 3.15Å
90T60.8Low72.2Confident67 Ų6775.5 Ų75.541%0.41138%0.376SS..  trans-79.696.5-175.163.10000112.4Q87 S92Q87-T90 WeakPolarHBondContact O-CB 3.44Å; Q87-T90 PolarHBondContact O-N 3.29Å; Q87-T90 PolarHBondContact O-OG1 2.83Å; T90-S92 PolarHBondContact O-N 3.27Å
91K53.6Low71.9Confident217 Ų21778.5 Ų78.594%0.94339%0.389SS*.  trans-68.512.6-178.4-59.6-176.5-179.8179.70115.4K89K89-K91 PolarHBondContact O-N 2.75Å; K89-K91 VanDerWaalsContact O-N 3.15Å
92S55.4Low71.8Confident47 Ų4776.8 Ų76.833%0.32938%0.38SS..  trans-12798.7-177.2-173.10000111.7T90 K94 D95T90-S92 PolarHBondContact O-N 3.27Å; S92-K94 PolarHBondContact O-N 3.34Å; S92-D95 VanDerWaalsContact CB-OD2 3.28Å; S92-D95 WeakPolarHBondContact CB-OD2 3.22Å; S92-D95 PolarHBondContact O-N 3.36Å; S92-D95 PolarHBondContact OG-OD2 3.45Å
93Q57.7Low71.7Confident163 Ų16373 Ų7376%0.76236%0.361SS*.THydrogen-bonded Turntrans-61.7-1.3170.8-71.2-175-4400114.3Y100Q93-Y100 PolarHBondContact NE2-OH 3.41Å
94K54.6Low71.6Confident191 Ų19173.8 Ų73.883%0.8337%0.366SS*.THydrogen-bonded Turntrans-86.6-24.5175.7-76.4-171.5171.3-172.30113.9S92S92-K94 PolarHBondContact O-N 3.34Å
95D59.1Low71.5Confident136 Ų13676.4 Ų76.473%0.72738%0.382SS*.THydrogen-bonded Turntrans-116.8-0.1-170.2-46.6-76.7000111.4S92S92-D95 VanDerWaalsContact CB-OD2 3.28Å; S92-D95 WeakPolarHBondContact CB-OD2 3.22Å; S92-D95 PolarHBondContact O-N 3.36Å; S92-D95 PolarHBondContact OG-OD2 3.45Å
96A63.5Low71.6Confident26 Ų2673.3 Ų73.322%0.21537%0.368CS..PPolyproline II helixtrans-69.7147.7176.200000111.9Y100A96-Y100 HydrophobicContact CB-CD1 3.92Å; A96-Y100 HydrophobicContact CB-CD2 4.42Å; A96-Y100 HydrophobicContact CB-CE1 4.36Å; A96-Y100 HydrophobicContact CB-CG 3.98Å
97P72.5Confident71.8Confident26 Ų2671.6 Ų71.617%0.16935%0.354CS..PPolyproline II helixtrans-70.8164.3175.329.8-34.6000112.7Y100 F127 N131P97-Y100 WeakPolarHBondContact O-CD1 3.44Å; P97-Y100 PolarHBondContact O-N 2.91Å; P97-F127 HydrophobicContact CB-CE2 4.14Å; P97-F127 HydrophobicContact CB-CZ 4.42Å; P97-F127 HydrophobicContact CG-CE2 3.79Å; P97-F127 HydrophobicContact CG-CZ 3.69Å; P97-N131 WeakPolarHBondContact CB-OD1 3.3Å
98E77.1Confident72Confident116 Ų11674.6 Ų74.654%0.54237%0.372SS..THydrogen-bonded Turntrans-67.1137175.9-161.3176.7-159.800111Y100 F127E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 3.31Å; E98-F127 VanDerWaalsContact O-CD2 3.28Å; E98-F127 WeakPolarHBondContact O-CD2 3.45Å; E98-F127 VanDerWaalsContact O-CE2 3.29Å; E98-F127 WeakPolarHBondContact O-CE2 3.47Å
99F78Confident72.4Confident16 Ų1675.6 Ų75.67%0.0737%0.374CS..THydrogen-bonded Turntrans63.323.6-174.2-38.4-72.4000115.5W22 K25 L26 L29 E101 I102 F127W22-F99 HydrophobicContact CB-CD1 4.5Å; K25-F99 HydrophobicContact CB-CE1 3.67Å; K25-F99 HydrophobicContact CB-CZ 4.3Å; L26-F99 HydrophobicContact CB-CD1 4.05Å; L26-F99 HydrophobicContact CB-CE1 4.48Å; L26-F99 HydrophobicContact CB-CG 4.17Å; L26-F99 HydrophobicContact CD1-CB 4.21Å; L26-F99 HydrophobicContact CD1-CD2 3.9Å; L26-F99 HydrophobicContact CD1-CE2 4.5Å; L26-F99 HydrophobicContact CD1-CG 4.02Å; L26-F99 HydrophobicContact CD2-CB 4.38Å; L29-F99 HydrophobicContact CD2-CE2 3.95Å; F99-E101 VanDerWaalsContact C-OE2 3.31Å; F99-E101 WeakPolarHBondContact CA-OE2 3.29Å; F99-E101 PolarHBondContact O-N 2.67Å; F99-I102 VanDerWaalsContact O-CG2 3.3Å; F99-I102 WeakPolarHBondContact O-CG2 3.34Å; F99-I102 PolarHBondContact O-N 3.04Å; F99-F127 HydrophobicContact CB-CD2 4.2Å
100Y80Confident72.9Confident40 Ų4069.2 Ų69.216%0.15735%0.347CS..THydrogen-bonded Turntrans-56.4-21.7176.378.2-77.9000113.4Q93 A96 P97 E98 I102 C103Q93-Y100 PolarHBondContact NE2-OH 3.41Å; A96-Y100 HydrophobicContact CB-CD1 3.92Å; A96-Y100 HydrophobicContact CB-CD2 4.42Å; A96-Y100 HydrophobicContact CB-CE1 4.36Å; A96-Y100 HydrophobicContact CB-CG 3.98Å; P97-Y100 WeakPolarHBondContact O-CD1 3.44Å; P97-Y100 PolarHBondContact O-N 2.91Å; E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 3.31Å; Y100-I102 PolarHBondContact O-N 2.92Å; Y100-I102 VanDerWaalsContact O-N 3.11Å; Y100-C103 VanDerWaalsContact O-CB 3.28Å; Y100-C103 WeakPolarHBondContact O-CB 3.23Å; Y100-C103 PolarHBondContact O-N 3.23Å
101E80.9Confident73.8Confident62 Ų6271.6 Ų71.629%0.2935%0.353SS..Hα-helixtrans-53.9-27.9177-65.785.817200113.3W22 F99 C103 D104 V105W22-E101 HydrophobicContact CD2-CB 3.82Å; W22-E101 HydrophobicContact CE3-CB 4.37Å; W22-E101 HydrophobicContact CG-CB 4.06Å; W22-E101 HydrophobicContact CG-CG 4.39Å; W22-E101 HydrophobicContact CZ2-CB 4.38Å; F99-E101 VanDerWaalsContact C-OE2 3.31Å; F99-E101 WeakPolarHBondContact CA-OE2 3.29Å; F99-E101 PolarHBondContact O-N 2.67Å; E101-C103 PolarHBondContact O-N 3.42Å; E101-D104 PolarHBondContact O-N 2.85Å; E101-V105 PolarHBondContact O-N 3.11Å
102I83Confident75.1Confident3 Ų366.4 Ų66.42%0.01534%0.34CS..Hα-helixtrans-62.2-30.1173.6-167.161.1000112.5W22 L26 F99 Y100 V105 A106 K123 V124 F127W22-I102 HydrophobicContact CH2-CB 4.03Å; W22-I102 HydrophobicContact CH2-CD1 3.63Å; W22-I102 HydrophobicContact CH2-CG1 4.4Å; W22-I102 HydrophobicContact CZ3-CB 3.75Å; W22-I102 HydrophobicContact CZ3-CD1 3.87Å; W22-I102 HydrophobicContact CZ3-CG1 4.3Å; L26-I102 HydrophobicContact CD2-CB 4.43Å; F99-I102 VanDerWaalsContact O-CG2 3.3Å; F99-I102 WeakPolarHBondContact O-CG2 3.34Å; F99-I102 PolarHBondContact O-N 3.04Å; Y100-I102 PolarHBondContact O-N 2.92Å; Y100-I102 VanDerWaalsContact O-N 3.11Å; I102-V105 PolarHBondContact O-N 3Å; I102-A106 VanDerWaalsContact O-CB 3.24Å; I102-A106 WeakPolarHBondContact O-CB 3.37Å; I102-A106 PolarHBondContact O-N 3.31Å; I102-K123 HydrophobicContact CD1-CB 3.73Å; I102-K123 HydrophobicContact CD1-CD 4.33Å; I102-K123 HydrophobicContact CG1-CB 4.09Å; I102-V124 HydrophobicContact CG1-CG2 3.79Å; I102-F127 HydrophobicContact CG2-CB 3.77Å; I102-F127 HydrophobicContact CG2-CD1 3.98Å; I102-F127 HydrophobicContact CG2-CD2 4.2Å; I102-F127 HydrophobicContact CG2-CG 3.73Å
103C82.3Confident75.9Confident0 Ų068.8 Ų68.80%035%0.352CS..Hα-helixtrans-70.6-39.1179-64.50000111.2I84 Q87 Y100 E101 A106 K107 F127I84-C103 HydrophobicContact CG2-CB 4.39Å; I84-C103 WeakPolarHBondContact CG2-O 3.33Å; Q87-C103 HydrophobicContact CB-CB 4.07Å; Y100-C103 VanDerWaalsContact O-CB 3.28Å; Y100-C103 WeakPolarHBondContact O-CB 3.23Å; Y100-C103 PolarHBondContact O-N 3.23Å; E101-C103 PolarHBondContact O-N 3.42Å; C103-A106 PolarHBondContact O-N 2.87Å; C103-K107 WeakPolarHBondContact O-CB 3.44Å; C103-K107 PolarHBondContact O-N 3.3Å; C103-F127 WeakPolarHBondContact SG-CE1 3.44Å
104D81.5Confident76.6Confident67 Ų6767.5 Ų67.536%0.35835%0.351SS..Hα-helixtrans-66.1-39.7176-68.5-33.4000110.9C88 E101 N108C88-D104 PolarHBondContact SG-OD1 2.64Å; E101-D104 PolarHBondContact O-N 2.85Å; D104-N108 PolarHBondContact O-N 3.1Å; D104-N108 VanDerWaalsContact O-N 3.1Å; D104-N108 PolarHBondContact O-ND2 2.83Å; D104-N108 VanDerWaalsContact O-ND2 3.15Å; D104-N108 PolarHBondContact O-OD1 2.97Å
105V82.6Confident77.6Confident56 Ų5663.6 Ų63.634%0.33934%0.335SS..Hα-helixtrans-64.1-48.9173.21760000111.5W22 E101 I102 K107 N108 L109W22-V105 HydrophobicContact CH2-CG2 4.47Å; W22-V105 HydrophobicContact CZ2-CG2 4.04Å; E101-V105 PolarHBondContact O-N 3.11Å; I102-V105 PolarHBondContact O-N 3Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.13Å; V105-N108 PolarHBondContact O-N 3.43Å; V105-L109 HydrophobicContact CG1-CD1 4.13Å; V105-L109 WeakPolarHBondContact O-CG 3.3Å; V105-L109 PolarHBondContact O-N 3.22Å; V105-L109 VanDerWaalsContact O-N 3.11Å
106A83.7Confident78.6Confident0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-63.1-39.5179.400000112I84 I102 C103 L109 I110 L116 T120 V124I84-A106 HydrophobicContact CD1-CB 3.78Å; I84-A106 HydrophobicContact CG1-CB 4.29Å; I102-A106 VanDerWaalsContact O-CB 3.24Å; I102-A106 WeakPolarHBondContact O-CB 3.37Å; I102-A106 PolarHBondContact O-N 3.31Å; C103-A106 PolarHBondContact O-N 2.87Å; A106-L109 PolarHBondContact O-N 3.01Å; A106-I110 WeakPolarHBondContact O-CD1 3.49Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 3.29Å; A106-L116 HydrophobicContact CB-CD2 4.03Å; A106-T120 HydrophobicContact CB-CG2 4.08Å; A106-V124 HydrophobicContact CB-CG2 3.75Å
107K84.3Confident79.6Confident47 Ų4760.3 Ų60.320%0.20431%0.314CS..Hα-helixtrans-60.7-46.2174.4-178.9-179171.8-72.60111.8I84 F85 C88 C103 V105 L109 I110 E111I84-K107 HydrophobicContact CG2-CB 3.87Å; F85-K107 HydrophobicContact CE1-CG 4.25Å; C88-K107 HydrophobicContact CB-CD 3.77Å; C103-K107 WeakPolarHBondContact O-CB 3.44Å; C103-K107 PolarHBondContact O-N 3.3Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.13Å; K107-L109 PolarHBondContact O-N 3.26Å; K107-I110 PolarHBondContact O-N 3.46Å; K107-E111 WeakPolarHBondContact CE-OE1 3.36Å; K107-E111 IonicContact NZ-OE1 3.29Å; K107-E111 PolarHBondContact NZ-OE1 3.06Å; K107-E111 IonicContact NZ-OE2 3.45Å; K107-E111 PolarHBondContact NZ-OE2 3.2Å; K107-E111 WeakPolarHBondContact O-CB 3.22Å; K107-E111 PolarHBondContact O-N 3.04Å
108N80.9Confident80Confident95 Ų9560.6 Ų60.651%0.50832%0.316SS..Hα-helixtrans-63.6-30.9178.2-65.1-21.7000112.2D104 V105 T112D104-N108 PolarHBondContact O-N 3.1Å; D104-N108 VanDerWaalsContact O-N 3.1Å; D104-N108 PolarHBondContact O-ND2 2.83Å; D104-N108 VanDerWaalsContact O-ND2 3.15Å; D104-N108 PolarHBondContact O-OD1 2.97Å; V105-N108 PolarHBondContact O-N 3.43Å; N108-T112 WeakPolarHBondContact O-CG2 3.28Å; N108-T112 PolarHBondContact O-N 3.35Å; N108-T112 PolarHBondContact O-OG1 2.98Å
109L80.1Confident80.3Confident61 Ų6160.1 Ų60.132%0.31931%0.314SS..Hα-helixtrans-73.6-40.6173.3-71.3166.2000112.3V105 A106 K107 T112 V113 L116 T120V105-L109 HydrophobicContact CG1-CD1 4.13Å; V105-L109 WeakPolarHBondContact O-CG 3.3Å; V105-L109 PolarHBondContact O-N 3.22Å; V105-L109 VanDerWaalsContact O-N 3.11Å; A106-L109 PolarHBondContact O-N 3.01Å; K107-L109 PolarHBondContact O-N 3.26Å; L109-T112 WeakPolarHBondContact CA-OG1 3.36Å; L109-T112 PolarHBondContact O-N 2.84Å; L109-T112 PolarHBondContact O-OG1 3.06Å; L109-V113 PolarHBondContact O-N 3.35Å; L109-L116 HydrophobicContact CB-CD2 4.45Å; L109-T120 HydrophobicContact CD1-CG2 3.83Å
110I79.7Confident80.7Confident18 Ų1860.2 Ų60.29%0.09232%0.316CS..Hα-helixtrans-62.9-42.7173.4-65.8155.1000110.7L81 I84 F85 A106 K107 T112 N114 L116L81-I110 HydrophobicContact CD2-CD1 3.5Å; L81-I110 VanDerWaalsContact CD2-CD1 3.5Å; L81-I110 HydrophobicContact CD2-CG1 4.17Å; I84-I110 HydrophobicContact CD1-CD1 3.9Å; I84-I110 HydrophobicContact CG2-CD1 4.43Å; F85-I110 HydrophobicContact CZ-CG2 4.33Å; A106-I110 WeakPolarHBondContact O-CD1 3.49Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 3.29Å; K107-I110 PolarHBondContact O-N 3.46Å; I110-T112 PolarHBondContact O-N 3.48Å; I110-T112 VanDerWaalsContact O-N 3.16Å; I110-N114 VanDerWaalsContact O-CA 3.28Å; I110-N114 WeakPolarHBondContact O-CA 3.43Å; I110-N114 PolarHBondContact O-N 2.97Å; I110-L116 HydrophobicContact CD1-CD1 4.3Å; I110-L116 HydrophobicContact CD1-CD2 4.12Å; I110-L116 HydrophobicContact CD1-CG 4.25Å; I110-L116 HydrophobicContact CG1-CD2 3.82Å; I110-L116 HydrophobicContact CG1-CG 4Å
111E80.1Confident81Confident116 Ų11658.5 Ų58.554%0.54231%0.309SS..Hα-helixtrans-70.5-2.5177.3-72.7179.4161.900114.4K107K107-E111 WeakPolarHBondContact CE-OE1 3.36Å; K107-E111 IonicContact NZ-OE1 3.29Å; K107-E111 PolarHBondContact NZ-OE1 3.06Å; K107-E111 IonicContact NZ-OE2 3.45Å; K107-E111 PolarHBondContact NZ-OE2 3.2Å; K107-E111 WeakPolarHBondContact O-CB 3.22Å; K107-E111 PolarHBondContact O-N 3.04Å
112T79.3Confident81.3Confident109 Ų10955.6 Ų55.667%0.66930%0.296SS*.Hα-helixtrans-123.2-32.6177.647.70000115N108 L109 I110N108-T112 WeakPolarHBondContact O-CG2 3.28Å; N108-T112 PolarHBondContact O-N 3.35Å; N108-T112 PolarHBondContact O-OG1 2.98Å; L109-T112 WeakPolarHBondContact CA-OG1 3.36Å; L109-T112 PolarHBondContact O-N 2.84Å; L109-T112 PolarHBondContact O-OG1 3.06Å; I110-T112 PolarHBondContact O-N 3.48Å; I110-T112 VanDerWaalsContact O-N 3.16Å
113V72.6Confident81.4Confident97 Ų9756.8 Ų56.859%0.58830%0.301SS*.Hα-helixtrans-118.2-5.7-173.9-1740000112.1L109 E115L109-V113 PolarHBondContact O-N 3.35Å; V113-E115 PolarHBondContact O-N 3.02Å
114N73.1Confident81.7Confident136 Ų13656.9 Ų56.973%0.72730%0.301SS*.SBendtrans61-31.6-169.8-63.2-33000115.5I110I110-N114 VanDerWaalsContact O-CA 3.28Å; I110-N114 WeakPolarHBondContact O-CA 3.43Å; I110-N114 PolarHBondContact O-N 2.97Å
115E74.9Confident82Confident108 Ų10853.7 Ų53.751%0.50528%0.284SS..SBendtrans-114.5152.2-180-75.2-164-151.500114.5V113 K217V113-E115 PolarHBondContact O-N 3.02Å; E115-K217 WeakPolarHBondContact OE2-CE 3.28Å; E115-K217 IonicContact OE2-NZ 3.13Å; E115-K217 PolarHBondContact OE2-NZ 3.24Å
116L81.1Confident82.2Confident2 Ų251.1 Ų51.11%0.0127%0.269CS..  trans-86.8128.3170.4-66.4174.9000111.7Y77 I84 A106 L109 I110 T120 L121 K217Y77-L116 HydrophobicContact CE2-CB 4.49Å; Y77-L116 HydrophobicContact CE2-CD1 4.25Å; Y77-L116 PolarHBondContact OH-N 3.39Å; I84-L116 HydrophobicContact CD1-CD1 4.04Å; A106-L116 HydrophobicContact CB-CD2 4.03Å; L109-L116 HydrophobicContact CB-CD2 4.45Å; I110-L116 HydrophobicContact CD1-CD1 4.3Å; I110-L116 HydrophobicContact CD1-CD2 4.12Å; I110-L116 HydrophobicContact CD1-CG 4.25Å; I110-L116 HydrophobicContact CG1-CD2 3.82Å; I110-L116 HydrophobicContact CG1-CG 4Å; L116-T120 HydrophobicContact CD2-CG2 4Å; L116-L121 HydrophobicContact CB-CB 4.3Å; L116-L121 HydrophobicContact CD1-CD1 3.98Å; L116-K217 PolarHBondContact O-NZ 2.88Å; L116-K217 VanDerWaalsContact O-NZ 3.11Å
117N83.3Confident82.3Confident91 Ų9151.1 Ų51.149%0.48727%0.269SS..  trans-61.5138.9164.1177.2-39.6000109.7Q119 T120 L121N117-Q119 PolarHBondContact O-N 3.03Å; N117-Q119 VanDerWaalsContact O-N 3.11Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.5Å; N117-Q119 PolarHBondContact OD1-N 3.24Å; N117-T120 PolarHBondContact O-N 3.06Å; N117-L121 PolarHBondContact O-N 3.44Å
118P81.2Confident82.5Confident33 Ų3349.1 Ų49.121%0.21426%0.26CS..Hα-helixtrans-44.8-38.9174.1-31.936.8000115.6T120 L121 S122 K217P118-T120 VanDerWaalsContact C-N 3.33Å; P118-T120 PolarHBondContact O-N 3.4Å; P118-L121 PolarHBondContact O-N 3.31Å; P118-S122 VanDerWaalsContact O-CB 3.31Å; P118-S122 WeakPolarHBondContact O-CB 3.5Å; P118-S122 PolarHBondContact O-N 3.03Å; P118-S122 PolarHBondContact O-OG 3.28Å; P118-K217 HydrophobicContact CG-CB 4.46Å; P118-K217 HydrophobicContact CG-CD 4.4Å
119Q83.8Confident82.9Confident105 Ų10544.6 Ų44.649%0.49124%0.236SC..Hα-helixtrans-69-24.2178-63.8-172.21.200114.6N117 S122 K123 E223N117-Q119 PolarHBondContact O-N 3.03Å; N117-Q119 VanDerWaalsContact O-N 3.11Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.5Å; N117-Q119 PolarHBondContact OD1-N 3.24Å; Q119-S122 PolarHBondContact O-OG 3.35Å; Q119-K123 WeakPolarHBondContact O-CD 3.33Å; Q119-K123 WeakPolarHBondContact O-CE 3.33Å; Q119-K123 VanDerWaalsContact O-CG 3.3Å; Q119-K123 WeakPolarHBondContact O-CG 3.47Å; Q119-E223 HydrophobicContact CG-CG 4.44Å
120T85.9Confident83.1Confident19 Ų1942 Ų4212%0.11722%0.222CC..Hα-helixtrans-87.5-40.8171.5-55.70000109.8A106 L109 L116 N117 P118 S122 K123 V124A106-T120 HydrophobicContact CB-CG2 4.08Å; L109-T120 HydrophobicContact CD1-CG2 3.83Å; L116-T120 HydrophobicContact CD2-CG2 4Å; N117-T120 PolarHBondContact O-N 3.06Å; P118-T120 VanDerWaalsContact C-N 3.33Å; P118-T120 PolarHBondContact O-N 3.4Å; T120-S122 PolarHBondContact O-N 3.33Å; T120-K123 PolarHBondContact O-N 3.15Å; T120-V124 HydrophobicContact CG2-CG2 4.46Å; T120-V124 WeakPolarHBondContact O-CG2 3.27Å; T120-V124 PolarHBondContact O-N 3.12Å
121L87.1Confident83.4Confident4 Ų442.2 Ų42.22%0.02122%0.224CC..Hα-helixtrans-60.7-42.3-179.9-172.957.4000112Y77 V80 L116 N117 P118 K123 V124 L125 F215 L220Y77-L121 HydrophobicContact CD2-CD1 4.27Å; Y77-L121 HydrophobicContact CE2-CD1 4.08Å; V80-L121 HydrophobicContact CG1-CD1 4.06Å; L116-L121 HydrophobicContact CB-CB 4.3Å; L116-L121 HydrophobicContact CD1-CD1 3.98Å; N117-L121 PolarHBondContact O-N 3.44Å; P118-L121 PolarHBondContact O-N 3.31Å; L121-K123 PolarHBondContact O-N 2.83Å; L121-V124 PolarHBondContact O-N 3.48Å; L121-L125 HydrophobicContact CG-CD1 4.37Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 WeakPolarHBondContact O-CG 3.13Å; L121-L125 PolarHBondContact O-N 3.48Å; L121-F215 HydrophobicContact CD1-CE1 4.24Å; L121-F215 HydrophobicContact CD2-CD1 4.05Å; L121-F215 HydrophobicContact CD2-CE1 4.17Å; L121-F215 HydrophobicContact CG-CE1 4.41Å; L121-L220 HydrophobicContact CB-CD1 4.39Å; L121-L220 HydrophobicContact CD2-CD1 4.36Å; L121-L220 HydrophobicContact CD2-CD2 4.3Å; L121-L220 HydrophobicContact CG-CD1 4.25Å
122S85.9Confident83.6Confident0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-59.9-42.3174.966.30000113P118 Q119 T120 L125 K126 E223 L227P118-S122 VanDerWaalsContact O-CB 3.31Å; P118-S122 WeakPolarHBondContact O-CB 3.5Å; P118-S122 PolarHBondContact O-N 3.03Å; P118-S122 PolarHBondContact O-OG 3.28Å; Q119-S122 PolarHBondContact O-OG 3.35Å; T120-S122 PolarHBondContact O-N 3.33Å; S122-L125 PolarHBondContact O-N 2.86Å; S122-K126 WeakPolarHBondContact O-CB 3.26Å; S122-K126 PolarHBondContact O-N 3.25Å; S122-E223 WeakPolarHBondContact OG-CG 3.49Å; S122-E223 PolarHBondContact OG-OE1 2.92Å; S122-E223 VanDerWaalsContact OG-OE1 3.12Å; S122-L227 WeakPolarHBondContact OG-CD1 3.14Å
123K86.5Confident83.8Confident28 Ų2833.4 Ų33.412%0.12218%0.175CC..Hα-helixtrans-68.7-40.8177.9-65.2170.9-168.2171.90111.3E23 L26 I102 Q119 T120 L121 K126 F127 L227E23-K123 IonicContact OE1-NZ 2.73Å; E23-K123 PolarHBondContact OE1-NZ 2.95Å; L26-K123 HydrophobicContact CD2-CB 4.34Å; I102-K123 HydrophobicContact CD1-CB 3.73Å; I102-K123 HydrophobicContact CD1-CD 4.33Å; I102-K123 HydrophobicContact CG1-CB 4.09Å; Q119-K123 WeakPolarHBondContact O-CD 3.33Å; Q119-K123 WeakPolarHBondContact O-CE 3.33Å; Q119-K123 VanDerWaalsContact O-CG 3.3Å; Q119-K123 WeakPolarHBondContact O-CG 3.47Å; T120-K123 PolarHBondContact O-N 3.15Å; L121-K123 PolarHBondContact O-N 2.83Å; K123-K126 PolarHBondContact O-N 3.42Å; K123-F127 PolarHBondContact O-N 3.43Å; K123-L227 HydrophobicContact CG-CD1 4.04Å
124V87.3Confident84.3Confident2 Ų231.1 Ų31.11%0.01216%0.159CC..Hα-helixtrans-62.9-45.7172.8176.40000110.6V80 I84 I102 A106 T120 L121 K126 F127 M128V80-V124 HydrophobicContact CG1-CG1 3.66Å; I84-V124 HydrophobicContact CD1-CG1 4.17Å; I84-V124 HydrophobicContact CD1-CG2 4.44Å; I84-V124 HydrophobicContact CG1-CG1 4.2Å; I102-V124 HydrophobicContact CG1-CG2 3.79Å; A106-V124 HydrophobicContact CB-CG2 3.75Å; T120-V124 HydrophobicContact CG2-CG2 4.46Å; T120-V124 WeakPolarHBondContact O-CG2 3.27Å; T120-V124 PolarHBondContact O-N 3.12Å; L121-V124 PolarHBondContact O-N 3.48Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 3.48Å; V124-F127 WeakPolarHBondContact O-CB 3.33Å; V124-F127 PolarHBondContact O-N 3.37Å; V124-M128 HydrophobicContact CG1-CG 4.47Å; V124-M128 HydrophobicContact CG1-SD 4.12Å; V124-M128 WeakPolarHBondContact O-CG 3.49Å; V124-M128 PolarHBondContact O-N 3.01Å
125L87.9Confident84.8Confident0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-60.3-42.2175-74171.4000111.7I75 V80 L121 S122 F127 M128 F129 L212 F215 L220I75-L125 HydrophobicContact CG2-CD2 4.35Å; V80-L125 HydrophobicContact CG2-CD2 4.14Å; L121-L125 HydrophobicContact CG-CD1 4.37Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 WeakPolarHBondContact O-CG 3.13Å; L121-L125 PolarHBondContact O-N 3.48Å; S122-L125 PolarHBondContact O-N 2.86Å; L125-F127 VanDerWaalsContact C-N 3.31Å; L125-F127 PolarHBondContact O-N 3.07Å; L125-M128 HydrophobicContact CD2-SD 4.24Å; L125-M128 WeakPolarHBondContact O-CB 3.45Å; L125-M128 PolarHBondContact O-N 3.35Å; L125-M128 VanDerWaalsContact O-N 3.08Å; L125-F129 HydrophobicContact CB-CE2 4.02Å; L125-F129 HydrophobicContact CB-CZ 3.92Å; L125-F129 HydrophobicContact CD2-CE1 4.4Å; L125-F129 HydrophobicContact CD2-CZ 4.27Å; L125-F129 WeakPolarHBondContact O-CD1 3.48Å; L125-F129 VanDerWaalsContact O-CD2 3.28Å; L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 WeakPolarHBondContact O-CG 3.16Å; L125-F129 PolarHBondContact O-N 2.93Å; L125-L212 HydrophobicContact CD1-CD1 4.07Å; L125-L212 HydrophobicContact CD2-CD2 3.96Å; L125-F215 HydrophobicContact CD1-CE1 4.15Å; L125-F215 HydrophobicContact CD2-CE1 4.41Å; L125-F215 HydrophobicContact CD2-CZ 4.44Å; L125-L220 HydrophobicContact CD1-CD1 4.23Å; L125-L220 HydrophobicContact CD1-CD2 4.28Å
126K87.8Confident85.1Confident3 Ų324.7 Ų24.71%0.01313%0.128CC..Hα-helixtrans-59.4-40.2174.5-166.3164.2-175.6173.40112.4L26 C27 L29 S122 K123 V124 N130 L227 I229L26-K126 HydrophobicContact CD1-CB 4.39Å; L26-K126 HydrophobicContact CD1-CG 4.14Å; L26-K126 VanDerWaalsContact O-CD 3.32Å; L26-K126 WeakPolarHBondContact O-CD 3.45Å; L26-K126 WeakPolarHBondContact O-CE 3.39Å; L26-K126 PolarHBondContact O-NZ 3Å; C27-K126 PolarHBondContact O-NZ 2.99Å; L29-K126 WeakPolarHBondContact O-CE 3.25Å; L29-K126 PolarHBondContact O-NZ 3.27Å; S122-K126 WeakPolarHBondContact O-CB 3.26Å; S122-K126 PolarHBondContact O-N 3.25Å; K123-K126 PolarHBondContact O-N 3.42Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 3.48Å; K126-N130 PolarHBondContact O-N 3.42Å; K126-L227 HydrophobicContact CD-CB 4.36Å; K126-L227 HydrophobicContact CD-CD1 4.43Å; K126-L227 PolarHBondContact NZ-O 3.09Å; K126-I229 HydrophobicContact CB-CD1 3.88Å; K126-I229 HydrophobicContact CD-CD1 4.03Å; K126-I229 HydrophobicContact CD-CG1 4.46Å; K126-I229 HydrophobicContact CG-CD1 3.94Å
127F86Confident85Confident0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-64.8-42.3171.3160.6-98.4000112.4Q87 P97 E98 F99 I102 C103 K123 V124 L125 N130 N131Q87-F127 HydrophobicContact CG-CE1 4.42Å; Q87-F127 HydrophobicContact CG-CZ 4.21Å; P97-F127 HydrophobicContact CB-CE2 4.14Å; P97-F127 HydrophobicContact CB-CZ 4.42Å; P97-F127 HydrophobicContact CG-CE2 3.79Å; P97-F127 HydrophobicContact CG-CZ 3.69Å; E98-F127 VanDerWaalsContact O-CD2 3.28Å; E98-F127 WeakPolarHBondContact O-CD2 3.45Å; E98-F127 VanDerWaalsContact O-CE2 3.29Å; E98-F127 WeakPolarHBondContact O-CE2 3.47Å; F99-F127 HydrophobicContact CB-CD2 4.2Å; I102-F127 HydrophobicContact CG2-CB 3.77Å; I102-F127 HydrophobicContact CG2-CD1 3.98Å; I102-F127 HydrophobicContact CG2-CD2 4.2Å; I102-F127 HydrophobicContact CG2-CG 3.73Å; C103-F127 WeakPolarHBondContact SG-CE1 3.44Å; K123-F127 PolarHBondContact O-N 3.43Å; V124-F127 WeakPolarHBondContact O-CB 3.33Å; V124-F127 PolarHBondContact O-N 3.37Å; L125-F127 VanDerWaalsContact C-N 3.31Å; L125-F127 PolarHBondContact O-N 3.07Å; F127-N130 PolarHBondContact O-N 2.82Å; F127-N131 WeakPolarHBondContact CD2-ND2 3.32Å; F127-N131 WeakPolarHBondContact CE2-ND2 3.33Å; F127-N131 VanDerWaalsContact CZ-ND2 3.26Å; F127-N131 WeakPolarHBondContact CZ-ND2 3.2Å; F127-N131 PolarHBondContact O-N 3.33Å; F127-N131 PolarHBondContact O-ND2 3.13Å
128M87.9Confident84.8Confident5 Ų529.8 Ų29.83%0.02515%0.148CC..Hα-helixtrans-61.7-45.5175.3-67.7172.675.400111.4I75 V80 Q83 V124 L125 N130 N131 I132I75-M128 HydrophobicContact CD1-CE 4.22Å; I75-M128 HydrophobicContact CG1-CE 4.45Å; I75-M128 HydrophobicContact CG2-CE 3.74Å; V80-M128 HydrophobicContact CB-SD 4.22Å; V80-M128 HydrophobicContact CG1-SD 4.15Å; V80-M128 HydrophobicContact CG2-CE 4.05Å; V80-M128 HydrophobicContact CG2-SD 3.79Å; Q83-M128 HydrophobicContact CB-CE 4.47Å; V124-M128 HydrophobicContact CG1-CG 4.47Å; V124-M128 HydrophobicContact CG1-SD 4.12Å; V124-M128 WeakPolarHBondContact O-CG 3.49Å; V124-M128 PolarHBondContact O-N 3.01Å; L125-M128 HydrophobicContact CD2-SD 4.24Å; L125-M128 WeakPolarHBondContact O-CB 3.45Å; L125-M128 PolarHBondContact O-N 3.35Å; L125-M128 VanDerWaalsContact O-N 3.08Å; M128-N130 VanDerWaalsContact C-N 3.35Å; M128-N130 PolarHBondContact O-N 3.34Å; M128-N131 WeakPolarHBondContact O-CB 3.37Å; M128-N131 PolarHBondContact O-N 2.95Å; M128-N131 VanDerWaalsContact O-N 3.16Å; M128-I132 WeakPolarHBondContact O-CG1 3.45Å; M128-I132 PolarHBondContact O-N 2.76Å
129F89Confident84.6Confident0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-62-39.2176.6-55-27000112.2L31 M41 L43 I75 L125 I132 K133 I210 L212 I229L31-F129 HydrophobicContact CD1-CB 3.77Å; L31-F129 HydrophobicContact CD1-CD2 3.95Å; L31-F129 HydrophobicContact CD1-CG 4.35Å; L31-F129 HydrophobicContact CD2-CB 4.23Å; M41-F129 HydrophobicContact CE-CB 4.18Å; M41-F129 HydrophobicContact CE-CD2 3.83Å; M41-F129 HydrophobicContact CE-CE2 4.34Å; M41-F129 HydrophobicContact CE-CG 3.92Å; M41-F129 HydrophobicContact SD-CB 4.24Å; M41-F129 HydrophobicContact SD-CD1 4.17Å; M41-F129 HydrophobicContact SD-CG 4.07Å; L43-F129 HydrophobicContact CD1-CE1 4.15Å; L43-F129 HydrophobicContact CD1-CE2 4.38Å; L43-F129 HydrophobicContact CD1-CZ 3.7Å; L43-F129 HydrophobicContact CD2-CE2 3.92Å; L43-F129 HydrophobicContact CD2-CZ 4.01Å; I75-F129 HydrophobicContact CD1-CD1 4.41Å; I75-F129 HydrophobicContact CD1-CE1 3.95Å; L125-F129 HydrophobicContact CB-CE2 4.02Å; L125-F129 HydrophobicContact CB-CZ 3.92Å; L125-F129 HydrophobicContact CD2-CE1 4.4Å; L125-F129 HydrophobicContact CD2-CZ 4.27Å; L125-F129 WeakPolarHBondContact O-CD1 3.48Å; L125-F129 VanDerWaalsContact O-CD2 3.28Å; L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 WeakPolarHBondContact O-CG 3.16Å; L125-F129 PolarHBondContact O-N 2.93Å; F129-I132 PolarHBondContact O-N 3.06Å; F129-K133 WeakPolarHBondContact O-CB 3.34Å; F129-K133 PolarHBondContact O-N 3.16Å; F129-I210 HydrophobicContact CD1-CD1 3.66Å; F129-I210 HydrophobicContact CE1-CD1 3.98Å; F129-I210 HydrophobicContact CE1-CG2 4.12Å; F129-L212 HydrophobicContact CE1-CD2 4.25Å; F129-L212 HydrophobicContact CZ-CD1 4.45Å; F129-L212 HydrophobicContact CZ-CD2 4.21Å; F129-I229 HydrophobicContact CD2-CD1 4.15Å; F129-I229 HydrophobicContact CE2-CD1 4.17Å; F129-I229 HydrophobicContact CE2-CG2 4.24Å
130N85.6Confident84.1Confident6 Ų629.4 Ų29.43%0.03214%0.143CC..Hα-helixtrans-63.6-41.1173.6-170.240.8000112.3L29 L31 K126 F127 M128 I132 K133 I134L29-N130 HydrophobicContact CD2-CB 3.88Å; L31-N130 HydrophobicContact CD2-CB 4.39Å; K126-N130 PolarHBondContact O-N 3.42Å; F127-N130 PolarHBondContact O-N 2.82Å; M128-N130 VanDerWaalsContact C-N 3.35Å; M128-N130 PolarHBondContact O-N 3.34Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 2.82Å; N130-K133 WeakPolarHBondContact O-CB 3.34Å; N130-K133 PolarHBondContact O-N 3.2Å; N130-I134 WeakPolarHBondContact O-CB 3.41Å; N130-I134 VanDerWaalsContact O-CG1 3.26Å; N130-I134 WeakPolarHBondContact O-CG1 3.37Å; N130-I134 PolarHBondContact O-N 2.91Å
131N85.7Confident83.5Confident23 Ų2332.2 Ų32.212%0.12316%0.163CC..Hα-helixtrans-61.4-41.4174.5-79.6-73.2000111.9P97 F127 M128 I134 L135P97-N131 WeakPolarHBondContact CB-OD1 3.3Å; F127-N131 WeakPolarHBondContact CD2-ND2 3.32Å; F127-N131 WeakPolarHBondContact CE2-ND2 3.33Å; F127-N131 VanDerWaalsContact CZ-ND2 3.26Å; F127-N131 WeakPolarHBondContact CZ-ND2 3.2Å; F127-N131 PolarHBondContact O-N 3.33Å; F127-N131 PolarHBondContact O-ND2 3.13Å; M128-N131 WeakPolarHBondContact O-CB 3.37Å; M128-N131 PolarHBondContact O-N 2.95Å; M128-N131 VanDerWaalsContact O-N 3.16Å; N131-I134 PolarHBondContact O-N 3.19Å; N131-L135 WeakPolarHBondContact O-CG 3.4Å; N131-L135 PolarHBondContact O-N 3.24Å
132I84.6Confident82.8Confident23 Ų2337.1 Ų37.112%0.11819%0.189CC..Hα-helixtrans-64.4-47.7176.4-66167.7000110.6W39 T73 I75 M128 F129 N130 I134 L135 D136 R208 I210W39-I132 HydrophobicContact CZ2-CG2 4.16Å; T73-I132 HydrophobicContact CG2-CD1 4.36Å; I75-I132 HydrophobicContact CD1-CD1 4.18Å; M128-I132 WeakPolarHBondContact O-CG1 3.45Å; M128-I132 PolarHBondContact O-N 2.76Å; F129-I132 PolarHBondContact O-N 3.06Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 2.82Å; I132-I134 VanDerWaalsContact C-N 3.32Å; I132-I134 PolarHBondContact O-N 3.34Å; I132-L135 PolarHBondContact O-N 3.11Å; I132-L135 VanDerWaalsContact O-N 3.1Å; I132-D136 PolarHBondContact O-N 3.46Å; I132-R208 HydrophobicContact CG2-CG 4.22Å; I132-I210 HydrophobicContact CD1-CD1 3.69Å; I132-I210 HydrophobicContact CG2-CD1 4.49Å
133K83.7Confident82Confident16 Ų1642.8 Ų42.87%0.0721%0.211CC..Hα-helixtrans-51.7-47.6172175.3175.8172.2175.50112.1N30 L31 D33 W39 F129 N130 L135 D136 I137N30-K133 PolarHBondContact O-NZ 3.42Å; L31-K133 HydrophobicContact CD2-CD 4.34Å; L31-K133 WeakPolarHBondContact O-CE 3.17Å; L31-K133 PolarHBondContact O-NZ 2.89Å; D33-K133 IonicContact OD2-NZ 3.55Å; D33-K133 PolarHBondContact OD2-NZ 3.22Å; W39-K133 HydrophobicContact CB-CG 4.31Å; W39-K133 HydrophobicContact CD2-CB 3.8Å; W39-K133 HydrophobicContact CD2-CD 4.29Å; W39-K133 HydrophobicContact CD2-CG 3.75Å; W39-K133 HydrophobicContact CE3-CB 3.82Å; W39-K133 HydrophobicContact CE3-CD 3.76Å; W39-K133 HydrophobicContact CE3-CG 3.74Å; W39-K133 HydrophobicContact CG-CB 4.44Å; W39-K133 HydrophobicContact CG-CG 4.04Å; W39-K133 HydrophobicContact CH2-CB 3.85Å; W39-K133 HydrophobicContact CZ2-CB 3.88Å; W39-K133 HydrophobicContact CZ3-CB 3.84Å; W39-K133 HydrophobicContact CZ3-CD 4.12Å; W39-K133 HydrophobicContact CZ3-CG 4.21Å; F129-K133 WeakPolarHBondContact O-CB 3.34Å; F129-K133 PolarHBondContact O-N 3.16Å; N130-K133 WeakPolarHBondContact O-CB 3.34Å; N130-K133 PolarHBondContact O-N 3.2Å; K133-L135 PolarHBondContact O-N 3.48Å; K133-D136 PolarHBondContact O-N 3.48Å; K133-I137 HydrophobicContact CG-CD1 3.89Å; K133-I137 WeakPolarHBondContact O-CD1 3.26Å; K133-I137 VanDerWaalsContact O-CG1 3.25Å; K133-I137 WeakPolarHBondContact O-CG1 3.04Å; K133-I137 PolarHBondContact O-N 3.15Å
134I82.7Confident81.2Confident50 Ų5046.8 Ų46.826%0.25623%0.228SC..Hα-helixtrans-65-38.2178.4-71.4166.3000112N130 N131 I132 K138N130-I134 WeakPolarHBondContact O-CB 3.41Å; N130-I134 VanDerWaalsContact O-CG1 3.26Å; N130-I134 WeakPolarHBondContact O-CG1 3.37Å; N130-I134 PolarHBondContact O-N 2.91Å; N131-I134 PolarHBondContact O-N 3.19Å; I132-I134 VanDerWaalsContact C-N 3.32Å; I132-I134 PolarHBondContact O-N 3.34Å; I134-K138 HydrophobicContact CG2-CD 4.22Å; I134-K138 VanDerWaalsContact CG2-NZ 3.29Å; I134-K138 WeakPolarHBondContact O-CD 3.36Å; I134-K138 VanDerWaalsContact O-CG 3.23Å; I134-K138 WeakPolarHBondContact O-CG 3.28Å; I134-K138 PolarHBondContact O-N 3.29Å
135L82.2Confident80Confident100 Ų10048.8 Ų48.852%0.52424%0.242SC..Hα-helixtrans-68.6-41.2175.6-72.7169.9000111.8N131 I132 K133 K138 Q139N131-L135 WeakPolarHBondContact O-CG 3.4Å; N131-L135 PolarHBondContact O-N 3.24Å; I132-L135 PolarHBondContact O-N 3.11Å; I132-L135 VanDerWaalsContact O-N 3.1Å; K133-L135 PolarHBondContact O-N 3.48Å; L135-K138 WeakPolarHBondContact O-CB 3.42Å; L135-K138 PolarHBondContact O-N 3.29Å; L135-Q139 WeakPolarHBondContact O-CG 3.49Å; L135-Q139 PolarHBondContact O-N 3.1Å
136D82.7Confident78.6Confident9 Ų952.5 Ų52.55%0.04826%0.261CS..Hα-helixtrans-67.1-43.2179.2-73.3-21.2000112.5W39 I132 K133 K138 Q139 Q140 R208W39-D136 PolarHBondContact NE1-OD2 3.24Å; I132-D136 PolarHBondContact O-N 3.46Å; K133-D136 PolarHBondContact O-N 3.48Å; D136-K138 PolarHBondContact O-N 3Å; D136-Q139 PolarHBondContact O-N 2.76Å; D136-Q139 VanDerWaalsContact O-N 3.13Å; D136-Q140 WeakPolarHBondContact O-CB 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.3Å; D136-Q140 PolarHBondContact O-N 3.12Å; D136-R208 VanDerWaalsContact CG-NH1 3.3Å; D136-R208 IonicContact OD1-CZ 2.64Å; D136-R208 VanDerWaalsContact OD1-CZ 3.28Å; D136-R208 IonicContact OD1-NH1 3.66Å; D136-R208 PolarHBondContact OD1-NH1 2.85Å; D136-R208 IonicContact OD1-NH2 2.78Å; D136-R208 IonicContact OD2-CZ 2.64Å; D136-R208 IonicContact OD2-NE 2.76Å; D136-R208 IonicContact OD2-NH1 3.1Å; D136-R208 PolarHBondContact OD2-NH1 3.04Å
137I78Confident77Confident64 Ų6457 Ų5733%0.32829%0.285SS..Hα-helixtrans-59.9-38.2175.1-67.6166.2000110.4V38 K133 S141V38-I137 HydrophobicContact CG1-CG1 4Å; K133-I137 HydrophobicContact CG-CD1 3.89Å; K133-I137 WeakPolarHBondContact O-CD1 3.26Å; K133-I137 VanDerWaalsContact O-CG1 3.25Å; K133-I137 WeakPolarHBondContact O-CG1 3.04Å; K133-I137 PolarHBondContact O-N 3.15Å; I137-S141 VanDerWaalsContact O-CB 3.27Å; I137-S141 WeakPolarHBondContact O-CB 3.29Å; I137-S141 PolarHBondContact O-N 3.06Å
138K78.5Confident75.3Confident135 Ų13565.6 Ų65.659%0.58732%0.317SS*.Hα-helixtrans-65.9-44.8173.1-70.9165.5-175.2171.30112I134 L135 D136 S141 L142I134-K138 HydrophobicContact CG2-CD 4.22Å; I134-K138 VanDerWaalsContact CG2-NZ 3.29Å; I134-K138 WeakPolarHBondContact O-CD 3.36Å; I134-K138 VanDerWaalsContact O-CG 3.23Å; I134-K138 WeakPolarHBondContact O-CG 3.28Å; I134-K138 PolarHBondContact O-N 3.29Å; L135-K138 WeakPolarHBondContact O-CB 3.42Å; L135-K138 PolarHBondContact O-N 3.29Å; D136-K138 PolarHBondContact O-N 3Å; K138-S141 PolarHBondContact O-N 2.99Å; K138-L142 PolarHBondContact O-N 3.15Å
139Q77.5Confident73.7Confident87 Ų8770.1 Ų70.141%0.40734%0.341SS..Hα-helixtrans-64.5-46.1177-71.9-166.228.400112.5L135 D136 S141 L142 R143L135-Q139 WeakPolarHBondContact O-CG 3.49Å; L135-Q139 PolarHBondContact O-N 3.1Å; D136-Q139 PolarHBondContact O-N 2.76Å; D136-Q139 VanDerWaalsContact O-N 3.13Å; Q139-S141 VanDerWaalsContact C-N 3.31Å; Q139-S141 PolarHBondContact O-N 3.22Å; Q139-L142 WeakPolarHBondContact O-CB 3.47Å; Q139-L142 PolarHBondContact O-N 3.29Å; Q139-R143 WeakPolarHBondContact O-CG 3.5Å; Q139-R143 PolarHBondContact O-N 2.72Å
140Q73.2Confident71.7Confident44 Ų4474.9 Ų74.921%0.20637%0.366CS..Hα-helixtrans-58.3-43.8175.2-73.6-171.227.600111.4V38 D136 L142 R143 K144 C207V38-Q140 PolarHBondContact O-NE2 3.01Å; V38-Q140 VanDerWaalsContact O-NE2 3.15Å; D136-Q140 WeakPolarHBondContact O-CB 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.3Å; D136-Q140 PolarHBondContact O-N 3.12Å; Q140-L142 VanDerWaalsContact C-N 3.33Å; Q140-L142 PolarHBondContact O-N 3.3Å; Q140-R143 PolarHBondContact O-N 2.75Å; Q140-K144 VanDerWaalsContact O-CB 3.28Å; Q140-K144 WeakPolarHBondContact O-CB 3.38Å; Q140-K144 WeakPolarHBondContact O-CD 3.45Å; Q140-K144 VanDerWaalsContact O-CG 3.23Å; Q140-K144 WeakPolarHBondContact O-CG 3.47Å; Q140-K144 PolarHBondContact O-N 3.03Å; Q140-C207 PolarHBondContact NE2-SG 3.06Å; Q140-C207 VanDerWaalsContact NE2-SG 3.41Å
141S74.3Confident69.7Low77 Ų7780.7 Ų80.754%0.53839%0.393SS..Hα-helixtrans-61.2-41.9177-171.50000111.7I137 K138 Q139 K144 S145I137-S141 VanDerWaalsContact O-CB 3.27Å; I137-S141 WeakPolarHBondContact O-CB 3.29Å; I137-S141 PolarHBondContact O-N 3.06Å; K138-S141 PolarHBondContact O-N 2.99Å; Q139-S141 VanDerWaalsContact C-N 3.31Å; Q139-S141 PolarHBondContact O-N 3.22Å; S141-K144 PolarHBondContact O-N 3.07Å; S141-S145 PolarHBondContact O-N 3.31Å
142L72.5Confident67.8Low107 Ų10785 Ų8556%0.5642%0.415SS*.Hα-helixtrans-63.1-48.5175.2-174.461.6000111.9K138 Q139 Q140 K144 S145 I146K138-L142 PolarHBondContact O-N 3.15Å; Q139-L142 WeakPolarHBondContact O-CB 3.47Å; Q139-L142 PolarHBondContact O-N 3.29Å; Q140-L142 VanDerWaalsContact C-N 3.33Å; Q140-L142 PolarHBondContact O-N 3.3Å; L142-K144 PolarHBondContact O-N 3.16Å; L142-S145 WeakPolarHBondContact O-CB 3.49Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-S145 PolarHBondContact O-OG 3.47Å; L142-I146 HydrophobicContact CG-CD1 4.18Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 2.97Å
143R69.5Low65.7Low120 Ų12090.3 Ų90.345%0.45344%0.44SS..Hα-helixtrans-57.9-47.1174.9-66174.3-168.2-1422.8111.8Q139 Q140 S145 I146 L147Q139-R143 WeakPolarHBondContact O-CG 3.5Å; Q139-R143 PolarHBondContact O-N 2.72Å; Q140-R143 PolarHBondContact O-N 2.75Å; R143-S145 PolarHBondContact O-N 3.2Å; R143-I146 PolarHBondContact O-N 2.99Å; R143-L147 PolarHBondContact O-N 3.5Å; R143-L147 VanDerWaalsContact O-N 3.07Å
144K68.7Low63.4Low112 Ų11295.2 Ų95.249%0.48747%0.467SS..Hα-helixtrans-61.6-25.9175.3-73165.9178.6166.90112.5Q140 S141 L142 R148Q140-K144 VanDerWaalsContact O-CB 3.28Å; Q140-K144 WeakPolarHBondContact O-CB 3.38Å; Q140-K144 WeakPolarHBondContact O-CD 3.45Å; Q140-K144 VanDerWaalsContact O-CG 3.23Å; Q140-K144 WeakPolarHBondContact O-CG 3.47Å; Q140-K144 PolarHBondContact O-N 3.03Å; S141-K144 PolarHBondContact O-N 3.07Å; L142-K144 PolarHBondContact O-N 3.16Å; K144-R148 WeakPolarHBondContact O-CD 3.4Å; K144-R148 VanDerWaalsContact O-CG 3.31Å; K144-R148 WeakPolarHBondContact O-CG 3.28Å
145S62.7Low61.1Low44 Ų4498 Ų9831%0.30849%0.486SS..Hα-helixtrans-80.2-40.3173.879.50000113.2S141 L142 R143 R148 I149S141-S145 PolarHBondContact O-N 3.31Å; L142-S145 WeakPolarHBondContact O-CB 3.49Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-S145 PolarHBondContact O-OG 3.47Å; R143-S145 PolarHBondContact O-N 3.2Å; S145-R148 PolarHBondContact O-N 3.14Å; S145-I149 WeakPolarHBondContact O-CG1 3.15Å; S145-I149 PolarHBondContact O-N 3.14Å; S145-I149 VanDerWaalsContact O-N 3.1Å
146I58Low58.6Low77 Ų77101.3 Ų101.340%0.39550%0.496SS..Hα-helixtrans-62.4-46.7177.5-67.5163.7000110.4L142 R143 R148 I149 N150L142-I146 HydrophobicContact CG-CD1 4.18Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 2.97Å; R143-I146 PolarHBondContact O-N 2.99Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 3.5Å; I146-I149 PolarHBondContact O-N 2.92Å; I146-I149 VanDerWaalsContact O-N 3.1Å; I146-N150 PolarHBondContact O-N 2.72Å; I146-N150 PolarHBondContact O-OD1 2.9Å
147L53.5Low56Low99 Ų99107.6 Ų107.652%0.51852%0.523SS..Hα-helixtrans-57.5-39.2176.3-73.9167.4000112.7R143 Q151R143-L147 PolarHBondContact O-N 3.5Å; R143-L147 VanDerWaalsContact O-N 3.07Å; L147-Q151 VanDerWaalsContact O-CG 3.31Å; L147-Q151 WeakPolarHBondContact O-CG 3.38Å; L147-Q151 PolarHBondContact O-N 3.19Å; L147-Q151 VanDerWaalsContact O-N 3.11Å
148R51.9Low53.4Low179 Ų179114.3 Ų114.368%0.67555%0.55SS*.Hα-helixtrans-68.5-35.6176.1-72.5173.3-172.4171.73.7113.1K144 S145 I146 L152K144-R148 WeakPolarHBondContact O-CD 3.4Å; K144-R148 VanDerWaalsContact O-CG 3.31Å; K144-R148 WeakPolarHBondContact O-CG 3.28Å; S145-R148 PolarHBondContact O-N 3.14Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 3.5Å; R148-L152 PolarHBondContact O-N 2.91Å
149I52.4Low50.8Low101 Ų101117.4 Ų117.452%0.51857%0.566SS.*Hα-helixtrans-65.2-50177.3-69.5164.4000109.2S145 I146 Q151 L152 E153S145-I149 WeakPolarHBondContact O-CG1 3.15Å; S145-I149 PolarHBondContact O-N 3.14Å; S145-I149 VanDerWaalsContact O-N 3.1Å; I146-I149 PolarHBondContact O-N 2.92Å; I146-I149 VanDerWaalsContact O-N 3.1Å; I149-Q151 VanDerWaalsContact C-N 3.34Å; I149-Q151 PolarHBondContact O-N 3.12Å; I149-L152 PolarHBondContact O-N 3.3Å; I149-E153 PolarHBondContact O-N 3.36Å
150N48.9Very low48.3Very low99 Ų99120.2 Ų120.253%0.52958%0.584SS.*Hα-helixtrans-57.4-45.4178.8-64.1-3.6000111.6I146 L152I146-N150 PolarHBondContact O-N 2.72Å; I146-N150 PolarHBondContact O-OD1 2.9Å; N150-L152 VanDerWaalsContact C-N 3.27Å; N150-L152 PolarHBondContact O-N 2.92Å
151Q41.6Very low46Very low128 Ų128125 Ų12560%0.59861%0.61SS**Hα-helixtrans-64.7-24.9177.5-73.3175.44.300114.2L147 I149L147-Q151 VanDerWaalsContact O-CG 3.31Å; L147-Q151 WeakPolarHBondContact O-CG 3.38Å; L147-Q151 PolarHBondContact O-N 3.19Å; L147-Q151 VanDerWaalsContact O-N 3.11Å; I149-Q151 VanDerWaalsContact C-N 3.34Å; I149-Q151 PolarHBondContact O-N 3.12Å
152L47.6Very low43.6Very low115 Ų115130.3 Ų130.360%0.60262%0.624SS**Hα-helixtrans-83.3-30-176.4-141.986000113.3R148 I149 N150 T155R148-L152 PolarHBondContact O-N 2.91Å; I149-L152 PolarHBondContact O-N 3.3Å; N150-L152 VanDerWaalsContact C-N 3.27Å; N150-L152 PolarHBondContact O-N 2.92Å; L152-T155 PolarHBondContact O-OG1 2.77Å; L152-T155 VanDerWaalsContact O-OG1 3.1Å
153E39Very low41.4Very low134 Ų134130.3 Ų130.363%0.62662%0.624SS**Hα-helixtrans-72.8-32.1-175.5-66.8-153.7156.800113.6I149 T155I149-E153 PolarHBondContact O-N 3.36Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.32Å
154D35.7Very low39.3Very low119 Ų119132.2 Ų132.264%0.63664%0.636SS**THydrogen-bonded Turntrans-74-17.9-178.1-79.6-30.1000114.2K156 K157D154-K156 PolarHBondContact O-N 3.19Å; D154-K157 IonicContact OD1-NZ 2.66Å; D154-K157 PolarHBondContact OD1-NZ 3.49Å
155T34.4Very low37.2Very low107 Ų107135.9 Ų135.966%0.65665%0.652SS**THydrogen-bonded Turntrans-84.3-3.1179.362.50000114.7L152 E153L152-T155 PolarHBondContact O-OG1 2.77Å; L152-T155 VanDerWaalsContact O-OG1 3.1Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.32Å
156K29.2Very low35.2Very low170 Ų170139.3 Ų139.374%0.73968%0.676SS**  trans-126.142.3-172.2-70.5-171.3177.4177.30115.6D154D154-K156 PolarHBondContact O-N 3.19Å
157K27.9Very low33.6Very low142 Ų142139.6 Ų139.662%0.61770%0.698SS**  trans-11358.7176.7-67.5168.3-172.1158.10113.2D154D154-K157 IonicContact OD1-NZ 2.66Å; D154-K157 PolarHBondContact OD1-NZ 3.49Å
158K23.8Very low32.1Very low205 Ų205139.5 Ų139.589%0.89171%0.712SS**  trans-170.787.5165.8-110164.9-173.5174.60113.6
159E24.9Very low30.7Very low200 Ų200140.6 Ų140.694%0.93572%0.721SS**  trans-173.6164.1136.2-108.6176.9-170.500111
160N25.3Very low29.5Very low145 Ų145142.5 Ų142.578%0.77574%0.737SS**  trans-115.1133.1-157.3-94.6-51.7000115.8
161L25.2Very low28.3Very low145 Ų145146.5 Ų146.576%0.75976%0.755SS**  trans29.2143.3143-82.8108.2000122.5
162K23.2Very low27.5Very low189 Ų189149.8 Ų149.882%0.82277%0.767SS**  trans91.3143.1171.9-56163-174.5170.50112.9
163D26.5Very low26.3Very low107 Ų107149.4 Ų149.457%0.57277%0.774SS**  cis-156.8146.17.9-132.9-23.5000113.3
164K24.1Very low25.6Very low159 Ų159152.8 Ų152.869%0.69179%0.79SS**  trans55138.2147.2-73.8151.3-166.21430124.3
165K24.6Very low24.9Very low189 Ų189155.5 Ų155.582%0.82280%0.799SS**  trans68.4113.5149.3-66.4171.5179.8-177.70117.7
166S21.5Very low24.4Very low116 Ų116155.5 Ų155.581%0.81180%0.801SS**  77.798.755.779.70000115.2
167G23.6Very low24.2Very low83 Ų83153.3 Ų153.386%0.85680%0.804SS**  trans-162133.8174.600000112.3
168A23.2Very low24.1Very low98 Ų98153.3 Ų153.381%0.8182%0.815SS**  trans-89.3170.9-162.500000116.6
169K22.4Very low24.2Very low202 Ų202150.9 Ų150.988%0.87881%0.812SS**  trans84.3116.9165.9-54.3176.6179.6177.90118.1
170V27Very low24.4Very low141 Ų141150.1 Ų150.186%0.85581%0.806SS**  173.4148.2113.9151.70000109.6
171M23.9Very low24.5Very low182 Ų182152.6 Ų152.690%0.89781%0.813SS**  trans-83.8122.1174.9-70152.252.300112.1
172K25Very low24.6Very low197 Ų197154.4 Ų154.486%0.85781%0.814SS**  trans-168.3153.9149.9-115.8175-177.7-177.30111.3
173S22Very low25.1Very low108 Ų108150.9 Ų150.976%0.75581%0.813SS**  trans50.5121.1167.838.60000118.3E175S173-E175 PolarHBondContact O-N 3.05Å
174Q24.2Very low25.8Very low204 Ų204153.7 Ų153.795%0.95382%0.82SS**  trans-74.592166.6-68.2165.9-78.900109.5
175E21.2Very low26.2Very low177 Ų177153.7 Ų153.783%0.82783%0.827SS**PPolyproline II helixtrans-78.4135.4169.5-147159.6-139.600109S173S173-E175 PolarHBondContact O-N 3.05Å
176P24.7Very low27Very low106 Ų106152.3 Ų152.369%0.68882%0.818SS**PPolyproline II helixtrans-65.7155.5-173.325.2-33.7000112.7V178P176-V178 PolarHBondContact O-N 2.97Å
177P25Very low28.1Very low124 Ų124154.7 Ų154.781%0.80581%0.814SS**PPolyproline II helixtrans-64.9125.3-166.224.8-34.7000113N179P177-N179 PolarHBondContact O-N 3.29Å
178V24.5Very low28.7Very low142 Ų142163.2 Ų163.286%0.86182%0.82SS**  trans-56.2106.7173.5179.40000109.7P176P176-V178 PolarHBondContact O-N 2.97Å
179N26Very low29.5Very low155 Ų155162.4 Ų162.483%0.82982%0.821SS**  trans-79.4128.7-178.3-137-23000109.2P177P177-N179 PolarHBondContact O-N 3.29Å
180K28.9Very low30Very low184 Ų184157.7 Ų157.780%0.880%0.802SS**  trans-71.4142-170.3-68.8176179175.20111.5K182K180-K182 PolarHBondContact O-N 3.18Å
181E27Very low30.4Very low197 Ų197157.4 Ų157.492%0.92179%0.792SS**  trans-46.1107.2172.3-60.9167.6131.900111.4
182K28.8Very low31Very low183 Ų183149.7 Ų149.780%0.79676%0.757SS**  trans-144.8133.7162.8-71.6-162.5174.7-168.80108.2K180 K184K180-K182 PolarHBondContact O-N 3.18Å; K182-K184 PolarHBondContact O-N 2.94Å; K182-K184 VanDerWaalsContact O-N 3.09Å
183S33.3Very low31.8Very low114 Ų114147.2 Ų147.280%0.79775%0.752SS**  trans-54.1114.7167.736.90000109.3L185S183-L185 PolarHBondContact O-N 3.49Å
184K41.6Very low33Very low166 Ų166149.9 Ų149.972%0.72275%0.753SS**  trans-74.378.7173.8-77.6-166.8174.2-166.90110K182 Y186K182-K184 PolarHBondContact O-N 2.94Å; K182-K184 VanDerWaalsContact O-N 3.09Å; K184-Y186 PolarHBondContact O-N 3.02Å
185L32.7Very low34.2Very low159 Ų159148.1 Ų148.183%0.83275%0.745SS**  trans-56115.8140.5-84.9157.8000106.5S183 K187S183-L185 PolarHBondContact O-N 3.49Å; L185-K187 PolarHBondContact O-N 3.21Å
186Y40.7Very low35.8Very low161 Ų161145.2 Ų145.263%0.63173%0.729SS**  trans-53.1135.7178.2-65.9-87000110K184 E190K184-Y186 PolarHBondContact O-N 3.02Å; Y186-E190 VanDerWaalsContact CD1-O 3.23Å; Y186-E190 WeakPolarHBondContact CD1-O 3.41Å
187K44.1Very low37.5Very low166 Ų166144.5 Ų144.572%0.72271%0.714SS**  trans-67.1147.8170.5-76.9-179.9176177.50108.7L185 G189 E190L185-K187 PolarHBondContact O-N 3.21Å; K187-G189 PolarHBondContact O-N 3.25Å; K187-E190 HydrophobicContact CB-CB 4.46Å; K187-E190 PolarHBondContact O-N 3.34Å
188R37.2Very low39.1Very low262 Ų262142.1 Ų142.199%0.98969%0.693SS**THydrogen-bonded Turntrans-49.4115.6166.1-84-177.5164.5-174.6-6109.1
189G39.2Very low40.7Very low81 Ų81139.5 Ų139.584%0.83570%0.696SS**THydrogen-bonded Turntrans98.63.7-178.800000116.5K187K187-G189 PolarHBondContact O-N 3.25Å
190E32.5Very low42.7Very low102 Ų102135.6 Ų135.648%0.47768%0.675SS.*  trans-111.681175.5-159.9172.6-160.700109.4Y186 K187Y186-E190 VanDerWaalsContact CD1-O 3.23Å; Y186-E190 WeakPolarHBondContact CD1-O 3.41Å; K187-E190 HydrophobicContact CB-CB 4.46Å; K187-E190 PolarHBondContact O-N 3.34Å
191E35.9Very low44.8Very low135 Ų135128.2 Ų128.263%0.63164%0.643SS**  trans-77.3150.1-176.5-65.2167.914900112.3L193 K196E191-L193 PolarHBondContact O-N 3.09Å; E191-K196 WeakPolarHBondContact OE2-CE 3.5Å; E191-K196 IonicContact OE2-NZ 2.8Å; E191-K196 PolarHBondContact OE2-NZ 3.36Å
192A36.5Very low46.9Very low21 Ų21121.1 Ų121.117%0.17461%0.614CS.*  trans-70.7127.4177.300000111.1E194 E195A192-E194 PolarHBondContact O-N 2.67Å; A192-E194 VanDerWaalsContact O-N 3.12Å; A192-E195 HydrophobicContact CB-CB 4.36Å; A192-E195 HydrophobicContact CB-CG 4Å; A192-E195 PolarHBondContact O-N 3.42Å
193L42.7Very low48.9Very low144 Ų144118.9 Ų118.975%0.75461%0.611SS**THydrogen-bonded Turntrans-62.4-19.5-178.5-81.4166.5000114.1E191E191-L193 PolarHBondContact O-N 3.09Å
194E47.2Very low50.5Low164 Ų164116 Ų11677%0.76659%0.586SS**THydrogen-bonded Turntrans-90.8-20.6-178.8-63.8179.4163.400112.6A192 K196A192-E194 PolarHBondContact O-N 2.67Å; A192-E194 VanDerWaalsContact O-N 3.12Å; E194-K196 VanDerWaalsContact C-N 3.3Å; E194-K196 PolarHBondContact O-N 3.05Å
195E48Very low51.7Low168 Ų168109.9 Ų109.979%0.78557%0.57SS**THydrogen-bonded Turntrans-81.6-4.5178.2-68.4-178.6150.500113.6A192A192-E195 HydrophobicContact CB-CB 4.36Å; A192-E195 HydrophobicContact CB-CG 4Å; A192-E195 PolarHBondContact O-N 3.42Å
196K55.2Low54Low115 Ų115102.8 Ų102.850%0.553%0.533SS..THydrogen-bonded Turntrans-86.3-10.4-173.7-71.7-148.7171.3-157.30116.2E191 E194E191-K196 WeakPolarHBondContact OE2-CE 3.5Å; E191-K196 IonicContact OE2-NZ 2.8Å; E191-K196 PolarHBondContact OE2-NZ 3.36Å; E194-K196 VanDerWaalsContact C-N 3.3Å; E194-K196 PolarHBondContact O-N 3.05Å
197Y60.3Low55.7Low92 Ų9296.3 Ų96.336%0.36151%0.511SS..SBendtrans-129.1148.5-167.6-60.3-84.3000111.8G67 Q68 Q70 G199G67-Y197 WeakPolarHBondContact O-CE1 3.16Å; Q68-Y197 WeakPolarHBondContact O-CA 3.21Å; Q70-Y197 HydrophobicContact CG-CD1 3.42Å; Q70-Y197 VanDerWaalsContact CG-CD1 3.42Å; Q70-Y197 HydrophobicContact CG-CD2 3.67Å; Q70-Y197 HydrophobicContact CG-CE1 3.8Å; Q70-Y197 HydrophobicContact CG-CE2 4.02Å; Q70-Y197 HydrophobicContact CG-CG 3.33Å; Y197-G199 PolarHBondContact O-N 3.1Å
198L59.6Low57.6Low73 Ų7389.8 Ų89.838%0.38248%0.482SS..  trans-66.1131.1173.8-62.8170.7000110Q68 D200Q68-L198 HydrophobicContact CB-CD1 4.06Å; Q68-L198 HydrophobicContact CB-CG 4.39Å; Q68-L198 PolarHBondContact O-N 3.49Å; L198-D200 VanDerWaalsContact CB-OD1 3.28Å; L198-D200 WeakPolarHBondContact CB-OD1 3.46Å; L198-D200 PolarHBondContact O-N 3.39Å
199G56.7Low59.8Low88 Ų8877.4 Ų77.491%0.90744%0.435SS*.THydrogen-bonded Turntrans-84.626.6175.700000113.6Y197Y197-G199 PolarHBondContact O-N 3.1Å
200D68.8Low62.1Low72 Ų7273.6 Ų73.639%0.38540%0.396SS..THydrogen-bonded Turntrans-95.6-9-17470.3-25.3000113.9R69 L198 P202R69-D200 IonicContact CZ-OD1 2.7Å; R69-D200 IonicContact CZ-OD2 3.71Å; R69-D200 IonicContact NE-OD1 3.46Å; R69-D200 PolarHBondContact NE-OD1 2.83Å; R69-D200 VanDerWaalsContact NE-OD1 3.1Å; R69-D200 IonicContact NE-OD2 2.7Å; R69-D200 PolarHBondContact NE-OD2 2.63Å; R69-D200 IonicContact NH2-OD1 3.13Å; R69-D200 IonicContact NH2-OD2 3.8Å; R69-D200 PolarHBondContact NH2-OD2 3.03Å; L198-D200 VanDerWaalsContact CB-OD1 3.28Å; L198-D200 WeakPolarHBondContact CB-OD1 3.46Å; L198-D200 PolarHBondContact O-N 3.39Å; D200-P202 VanDerWaalsContact O-CD 3.32Å; D200-P202 WeakPolarHBondContact O-CD 3.5Å
201E72.6Confident64.7Low30 Ų3068.9 Ų68.914%0.1437%0.374CS..  trans-62.9114.9178.7-62.5-176.8157.800111.9R69 Q70 R71R69-E201 WeakPolarHBondContact CB-OE1 3.49Å; R69-E201 HydrophobicContact CG-CG 4.48Å; Q70-E201 PolarHBondContact N-OE1 3.29Å; R71-E201 WeakPolarHBondContact CD-OE2 3.49Å; R71-E201 VanDerWaalsContact CG-OE2 3.22Å; R71-E201 WeakPolarHBondContact CG-OE2 3.34Å; R71-E201 IonicContact CZ-OE2 3.41Å; R71-E201 PolarHBondContact N-OE1 3.3Å; R71-E201 IonicContact NE-OE2 3.63Å; R71-E201 PolarHBondContact NE-OE2 3.45Å
202P71.5Confident67.3Low47 Ų4762.4 Ų62.431%0.30534%0.344SS..  trans-70.2137.9-179.228.8-34.5000111.1D200 N204 Y344D200-P202 VanDerWaalsContact O-CD 3.32Å; D200-P202 WeakPolarHBondContact O-CD 3.5Å; P202-N204 PolarHBondContact O-N 3.32Å; P202-Y344 HydrophobicContact CG-CD1 3.78Å; P202-Y344 HydrophobicContact CG-CD2 4.15Å; P202-Y344 HydrophobicContact CG-CE1 4.15Å; P202-Y344 HydrophobicContact CG-CE2 4.5Å; P202-Y344 HydrophobicContact CG-CG 3.78Å
203D69.8Low69.8Low136 Ų13661.7 Ų61.773%0.72734%0.337SS*.  trans-83.852.2179.2-146.842.4000112.7R71 G205R71-D203 IonicContact CZ-OD1 3.85Å; R71-D203 IonicContact NH1-OD1 3Å; R71-D203 PolarHBondContact NH1-OD1 3.34Å; R71-D203 IonicContact NH2-OD1 2.75Å; R71-D203 PolarHBondContact NH2-OD1 3.42Å; D203-G205 PolarHBondContact O-N 3.14Å
204N67.2Low71.8Confident54 Ų5457.2 Ų57.229%0.28931%0.314SS..SBendtrans-73.617.4179.563.612.5000114.1P202 I206 Y209 I347P202-N204 PolarHBondContact O-N 3.32Å; N204-I206 VanDerWaalsContact C-N 3.3Å; N204-I206 PolarHBondContact O-N 3.25Å; N204-I206 WeakPolarHBondContact OD1-CB 3.35Å; N204-I206 PolarHBondContact OD1-N 3.28Å; N204-Y209 PolarHBondContact ND2-OH 3.09Å; N204-Y209 PolarHBondContact OD1-OH 2.8Å; N204-I347 HydrophobicContact CB-CG2 4.4Å; N204-I347 WeakPolarHBondContact ND2-CG2 3.39Å
205G67.7Low73.6Confident37 Ų3749.8 Ų49.838%0.38128%0.279SS..SBendtrans79.3-0.5-177.900000115.7D203D203-G205 PolarHBondContact O-N 3.14Å
206I80.5Confident75.2Confident10 Ų1044.1 Ų44.15%0.05125%0.252CS..  trans-83.3131.8174.4-65.2174.5000110.4R71 N204 R208 Y209 I347R71-I206 PolarHBondContact NH1-O 2.86Å; N204-I206 VanDerWaalsContact C-N 3.3Å; N204-I206 PolarHBondContact O-N 3.25Å; N204-I206 WeakPolarHBondContact OD1-CB 3.35Å; N204-I206 PolarHBondContact OD1-N 3.28Å; I206-R208 VanDerWaalsContact CG2-O 3.29Å; I206-R208 WeakPolarHBondContact CG2-O 2.99Å; I206-Y209 HydrophobicContact CB-CE2 4.31Å; I206-Y209 HydrophobicContact CD1-CE1 4.05Å; I206-Y209 HydrophobicContact CG2-CD2 4.11Å; I206-Y209 HydrophobicContact CG2-CE1 4.26Å; I206-Y209 HydrophobicContact CG2-CE2 3.82Å; I206-Y209 HydrophobicContact CG2-CG 4.43Å; I206-I347 HydrophobicContact CD1-CB 4.09Å; I206-I347 HydrophobicContact CD1-CD1 3.55Å; I206-I347 HydrophobicContact CD1-CG1 3.46Å; I206-I347 VanDerWaalsContact CD1-CG1 3.46Å; I206-I347 HydrophobicContact CD1-CG2 3.56Å
207C75.5Confident76.5Confident25 Ų2541.6 Ų41.617%0.16924%0.241CC..  trans-91.8-32.3178.5-67.10000112.3V38 W39 K40 Q140V38-C207 PolarHBondContact O-SG 2.91Å; W39-C207 HydrophobicContact CG-CB 4.04Å; K40-C207 PolarHBondContact O-N 3.21Å; Q140-C207 PolarHBondContact NE2-SG 3.06Å; Q140-C207 VanDerWaalsContact NE2-SG 3.41Å
208R84Confident77.3Confident29 Ų2938.2 Ų38.211%0.10923%0.231CC..EExtended strand (participates in β ladder)trans-148.4139.3179.7-176.9126.8-75.61565.8112.9W39 K40 M41 S42 Q70 R71 T73 I132 D136 I206 I210W39-R208 HydrophobicContact CZ2-CB 4.25Å; K40-R208 PolarHBondContact O-N 3.49Å; M41-R208 WeakPolarHBondContact CA-O 3.37Å; S42-R208 PolarHBondContact N-O 2.9Å; Q70-R208 PolarHBondContact O-NH2 3.09Å; R71-R208 CarbonylContact O-C 3.6Å; R71-R208 VanDerWaalsContact O-CA 3.24Å; R71-R208 WeakPolarHBondContact O-CA 3.19Å; R71-R208 WeakPolarHBondContact O-CG 3.49Å; R71-R208 PolarHBondContact O-NE 3.05Å; R71-R208 VanDerWaalsContact O-NE 3.09Å; T73-R208 WeakPolarHBondContact OG1-CD 3.32Å; T73-R208 PolarHBondContact OG1-NE 3.47Å; I132-R208 HydrophobicContact CG2-CG 4.22Å; D136-R208 VanDerWaalsContact CG-NH1 3.3Å; D136-R208 IonicContact OD1-CZ 2.64Å; D136-R208 VanDerWaalsContact OD1-CZ 3.28Å; D136-R208 IonicContact OD1-NH1 3.66Å; D136-R208 PolarHBondContact OD1-NH1 2.85Å; D136-R208 IonicContact OD1-NH2 2.78Å; D136-R208 IonicContact OD2-CZ 2.64Å; D136-R208 IonicContact OD2-NE 2.76Å; D136-R208 IonicContact OD2-NH1 3.1Å; D136-R208 PolarHBondContact OD2-NH1 3.04Å; I206-R208 VanDerWaalsContact CG2-O 3.29Å; I206-R208 WeakPolarHBondContact CG2-O 2.99Å; R208-I210 HydrophobicContact CG-CD1 4.34Å; R208-I210 HydrophobicContact CG-CG1 3.74Å
209Y84.9Confident78.2Confident3 Ų336 Ų361%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-104.3119.7167.3-61.5-96.7000108.1R71 F72 T73 N204 I206 L343 Y344 I347R71-Y209 HydrophobicContact CB-CD2 3.9Å; R71-Y209 HydrophobicContact CB-CE2 4.26Å; R71-Y209 PolarHBondContact O-N 3.1Å; F72-Y209 CarbonylContact C-O 3.59Å; F72-Y209 WeakPolarHBondContact CA-O 3.45Å; F72-Y209 HydrophobicContact CD1-CG 4.4Å; F72-Y209 HydrophobicContact CE1-CD1 4.47Å; F72-Y209 HydrophobicContact CE1-CD2 4.49Å; F72-Y209 AromaticContact CE1-CG 3.97Å; F72-Y209 HydrophobicContact CE1-CG 3.97Å; F72-Y209 HydrophobicContact CE2-CD2 4.15Å; F72-Y209 HydrophobicContact CE2-CG 4.42Å; F72-Y209 HydrophobicContact CZ-CD1 4.43Å; F72-Y209 HydrophobicContact CZ-CD2 4.13Å; F72-Y209 AromaticContact CZ-CG 3.97Å; F72-Y209 HydrophobicContact CZ-CG 3.97Å; T73-Y209 PolarHBondContact N-O 3.09Å; N204-Y209 PolarHBondContact ND2-OH 3.09Å; N204-Y209 PolarHBondContact OD1-OH 2.8Å; I206-Y209 HydrophobicContact CB-CE2 4.31Å; I206-Y209 HydrophobicContact CD1-CE1 4.05Å; I206-Y209 HydrophobicContact CG2-CD2 4.11Å; I206-Y209 HydrophobicContact CG2-CE1 4.26Å; I206-Y209 HydrophobicContact CG2-CE2 3.82Å; I206-Y209 HydrophobicContact CG2-CG 4.43Å; Y209-L343 HydrophobicContact CD1-CB 4.47Å; Y209-Y344 HydrophobicContact CE1-CD1 4.22Å; Y209-Y344 HydrophobicContact CE1-CE1 4.4Å; Y209-Y344 HydrophobicContact CE2-CE1 4.06Å; Y209-Y344 AromaticContact CZ-CD1 3.9Å; Y209-Y344 AromaticContact CZ-CE1 3.87Å; Y209-I347 HydrophobicContact CE1-CG1 4.25Å
210I87.7Confident79.6Confident1 Ų131.9 Ų31.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-108.3128.6177.4-59.2-164.1000110.2M41 S42 L43 S44 T73 I75 F129 I132 R208 L212M41-I210 HydrophobicContact CG-CD1 4.37Å; M41-I210 HydrophobicContact CG-CG1 4.21Å; M41-I210 HydrophobicContact SD-CD1 3.45Å; M41-I210 WeakPolarHBondContact SD-CD1 3.23Å; M41-I210 HydrophobicContact SD-CG1 3.92Å; S42-I210 PolarHBondContact O-N 3.48Å; L43-I210 HydrophobicContact CD1-CB 3.95Å; L43-I210 HydrophobicContact CD1-CG2 3.85Å; S44-I210 PolarHBondContact N-O 3.39Å; T73-I210 WeakPolarHBondContact O-CA 3.27Å; I75-I210 HydrophobicContact CD1-CG2 3.85Å; I75-I210 HydrophobicContact CG1-CG2 4.33Å; F129-I210 HydrophobicContact CD1-CD1 3.66Å; F129-I210 HydrophobicContact CE1-CD1 3.98Å; F129-I210 HydrophobicContact CE1-CG2 4.12Å; I132-I210 HydrophobicContact CD1-CD1 3.69Å; I132-I210 HydrophobicContact CG2-CD1 4.49Å; R208-I210 HydrophobicContact CG-CD1 4.34Å; R208-I210 HydrophobicContact CG-CG1 3.74Å; I210-L212 HydrophobicContact CG2-CD2 4.08Å
211L87Confident80.2Confident2 Ų228.8 Ų28.81%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-105110.1172.3-61.4176.7000108.7S44 V64 T73 V74 I75 V213 L343S44-L211 WeakPolarHBondContact O-CA 3.39Å; V64-L211 HydrophobicContact CG2-CD1 4.32Å; T73-L211 PolarHBondContact O-N 2.92Å; V74-L211 WeakPolarHBondContact CA-O 2.97Å; V74-L211 HydrophobicContact CG2-CB 3.94Å; V74-L211 HydrophobicContact CG2-CD1 3.97Å; V74-L211 HydrophobicContact CG2-CG 4.5Å; I75-L211 PolarHBondContact N-O 3.1Å; L211-V213 HydrophobicContact CB-CG2 4.37Å; L211-L343 HydrophobicContact CD2-CD1 3.85Å
212L89.8Confident80.6Confident0 Ų031.7 Ų31.70%018%0.18CC..EExtended strand (participates in β ladder)trans-83.5119.9166.7-60.6-173.4000108.2L43 S44 I45 L46 I75 L125 F129 I210 F215L43-L212 HydrophobicContact CD1-CD1 4Å; L43-L212 HydrophobicContact CD1-CD2 4.28Å; L43-L212 HydrophobicContact CD1-CG 3.79Å; S44-L212 PolarHBondContact O-N 3.35Å; I45-L212 CarbonylContact C-O 3.49Å; I45-L212 WeakPolarHBondContact CA-O 3.29Å; I45-L212 HydrophobicContact CG1-CB 4.27Å; I45-L212 HydrophobicContact CG1-CD1 4.29Å; L46-L212 PolarHBondContact N-O 3.45Å; I75-L212 HydrophobicContact CB-CD2 3.97Å; I75-L212 HydrophobicContact CD1-CD2 4.19Å; I75-L212 HydrophobicContact CG2-CD2 4.32Å; L125-L212 HydrophobicContact CD1-CD1 4.07Å; L125-L212 HydrophobicContact CD2-CD2 3.96Å; F129-L212 HydrophobicContact CE1-CD2 4.25Å; F129-L212 HydrophobicContact CZ-CD1 4.45Å; F129-L212 HydrophobicContact CZ-CD2 4.21Å; I210-L212 HydrophobicContact CG2-CD2 4.08Å; L212-F215 HydrophobicContact CB-CD2 3.77Å; L212-F215 HydrophobicContact CB-CE2 4.06Å; L212-F215 HydrophobicContact CB-CG 4.35Å; L212-F215 HydrophobicContact CD2-CE2 4.47Å
213V88.4Confident81Confident6 Ų630 Ų304%0.03617%0.168CC..EExtended strand (participates in β ladder)trans-111.9125.3-171.2171.70000110.7I57 V74 I75 T76 L211 F215I57-V213 HydrophobicContact CG2-CG1 3.23Å; V74-V213 HydrophobicContact CG1-CB 4.32Å; V74-V213 HydrophobicContact CG1-CG2 3.77Å; V74-V213 HydrophobicContact CG2-CG2 4.48Å; I75-V213 PolarHBondContact O-N 3.28Å; T76-V213 HydrophobicContact CG2-CB 4.31Å; T76-V213 HydrophobicContact CG2-CG1 4.37Å; L211-V213 HydrophobicContact CB-CG2 4.37Å; V213-F215 VanDerWaalsContact O-CD2 3.23Å; V213-F215 WeakPolarHBondContact O-CD2 3.38Å; V213-F215 WeakPolarHBondContact O-CE2 3.23Å
214N85.6Confident81.7Confident50 Ų5023.5 Ų23.527%0.26713%0.133SC..SBendtrans60.650.4178.5-606.3000114L46 N54 E216L46-N214 PolarHBondContact O-N 2.97Å; N54-N214 PolarHBondContact OD1-ND2 2.96Å; N54-N214 PolarHBondContact OD1-OD1 3.01Å; N214-E216 PolarHBondContact O-N 2.62Å
215F84.9Confident82.3Confident8 Ų821.4 Ų21.44%0.03512%0.123CC..  trans-100.169.8175.2-76.8-102.6000110.7I75 V80 L121 L125 L212 V213 K217 L220I75-F215 HydrophobicContact CG2-CZ 4.33Å; I75-F215 WeakPolarHBondContact O-CE2 3.43Å; V80-F215 HydrophobicContact CG2-CE1 4.35Å; V80-F215 HydrophobicContact CG2-CZ 3.95Å; L121-F215 HydrophobicContact CD1-CE1 4.24Å; L121-F215 HydrophobicContact CD2-CD1 4.05Å; L121-F215 HydrophobicContact CD2-CE1 4.17Å; L121-F215 HydrophobicContact CG-CE1 4.41Å; L125-F215 HydrophobicContact CD1-CE1 4.15Å; L125-F215 HydrophobicContact CD2-CE1 4.41Å; L125-F215 HydrophobicContact CD2-CZ 4.44Å; L212-F215 HydrophobicContact CB-CD2 3.77Å; L212-F215 HydrophobicContact CB-CE2 4.06Å; L212-F215 HydrophobicContact CB-CG 4.35Å; L212-F215 HydrophobicContact CD2-CE2 4.47Å; V213-F215 VanDerWaalsContact O-CD2 3.23Å; V213-F215 WeakPolarHBondContact O-CD2 3.38Å; V213-F215 WeakPolarHBondContact O-CE2 3.23Å; F215-K217 PolarHBondContact O-N 2.82Å; F215-L220 HydrophobicContact CB-CD2 3.98Å; F215-L220 HydrophobicContact CD1-CD2 3.68Å; F215-L220 HydrophobicContact CG-CD2 4.21Å
216E82.5Confident82.9Confident48 Ų4826.3 Ų26.322%0.22413%0.13CC..  trans-77.138.5-170.2-60.5173.5-157.300113.7N214 L284 Y287N214-E216 PolarHBondContact O-N 2.62Å; E216-L284 HydrophobicContact CG-CD1 4.11Å; E216-Y287 HydrophobicContact CB-CD2 4.5Å; E216-Y287 HydrophobicContact CB-CG 4.37Å; E216-Y287 WeakPolarHBondContact O-CD2 3.44Å
217K82.3Confident82.9Confident62 Ų6226 Ų2627%0.2713%0.128SC..  trans-124.1105.2-179.9-64.4-167.6179.6-167.20111.7E115 L116 P118 F215 G219 L220E115-K217 WeakPolarHBondContact OE2-CE 3.28Å; E115-K217 IonicContact OE2-NZ 3.13Å; E115-K217 PolarHBondContact OE2-NZ 3.24Å; L116-K217 PolarHBondContact O-NZ 2.88Å; L116-K217 VanDerWaalsContact O-NZ 3.11Å; P118-K217 HydrophobicContact CG-CB 4.46Å; P118-K217 HydrophobicContact CG-CD 4.4Å; F215-K217 PolarHBondContact O-N 2.82Å; K217-G219 PolarHBondContact O-N 3.34Å; K217-L220 WeakPolarHBondContact O-CB 3.3Å; K217-L220 PolarHBondContact O-N 3.32Å
218C76Confident83Confident21 Ų2131.4 Ų31.414%0.14215%0.149CC..THydrogen-bonded Turntrans-56.4-45.4-172.5-170.20000113.5L220 L221 Y287 T290C218-L220 PolarHBondContact O-N 3.4Å; C218-L221 WeakPolarHBondContact O-CB 3.45Å; C218-L221 PolarHBondContact O-N 3.11Å; C218-Y287 HydrophobicContact CB-CD2 4.41Å; C218-T290 HydrophobicContact CB-CG2 4.1Å
219G79.2Confident82.8Confident26 Ų2630.3 Ų30.327%0.26815%0.145SC..Hα-helixtrans-64-6.1179.100000115.4K217 L221 E223K217-G219 PolarHBondContact O-N 3.34Å; G219-L221 VanDerWaalsContact C-N 3.27Å; G219-E223 VanDerWaalsContact O-CB 3.28Å; G219-E223 WeakPolarHBondContact O-CB 3.39Å; G219-E223 PolarHBondContact O-N 3.45Å
220L85.4Confident82.6Confident3 Ų333.3 Ų33.32%0.01616%0.161CC..Hα-helixtrans-67-31.2167.8-176.262.2000111.6L121 L125 F215 K217 C218 L224L121-L220 HydrophobicContact CB-CD1 4.39Å; L121-L220 HydrophobicContact CD2-CD1 4.36Å; L121-L220 HydrophobicContact CD2-CD2 4.3Å; L121-L220 HydrophobicContact CG-CD1 4.25Å; L125-L220 HydrophobicContact CD1-CD1 4.23Å; L125-L220 HydrophobicContact CD1-CD2 4.28Å; F215-L220 HydrophobicContact CB-CD2 3.98Å; F215-L220 HydrophobicContact CD1-CD2 3.68Å; F215-L220 HydrophobicContact CG-CD2 4.21Å; K217-L220 WeakPolarHBondContact O-CB 3.3Å; K217-L220 PolarHBondContact O-N 3.32Å; C218-L220 PolarHBondContact O-N 3.4Å; L220-L224 HydrophobicContact CD1-CD1 4.36Å; L220-L224 HydrophobicContact CD1-CG 4.2Å; L220-L224 HydrophobicContact CG-CD1 3.97Å; L220-L224 HydrophobicContact CG-CG 4.27Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.23Å; L220-L224 WeakPolarHBondContact O-CG 3.45Å; L220-L224 PolarHBondContact O-N 3.22Å
221L82Confident82.2Confident7 Ų733.4 Ų33.44%0.03716%0.162CC..Hα-helixtrans-69.3-51.6-174.8-160.772.5000111.8I45 C218 G219 E223 L224 C225 V231 I234 L294 M295 L303 I306I45-L221 HydrophobicContact CD1-CD1 3.83Å; C218-L221 WeakPolarHBondContact O-CB 3.45Å; C218-L221 PolarHBondContact O-N 3.11Å; G219-L221 VanDerWaalsContact C-N 3.27Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3.02Å; L221-L224 PolarHBondContact O-N 3.05Å; L221-C225 PolarHBondContact O-N 2.86Å; L221-C225 VanDerWaalsContact O-N 3.15Å; L221-V231 HydrophobicContact CD1-CB 4.44Å; L221-V231 HydrophobicContact CD1-CG1 4.2Å; L221-V231 HydrophobicContact CD1-CG2 4.27Å; L221-I234 HydrophobicContact CD1-CD1 3.87Å; L221-I234 HydrophobicContact CD1-CG1 4.31Å; L221-I234 HydrophobicContact CD2-CD1 3.77Å; L221-I234 HydrophobicContact CG-CD1 4.49Å; L221-L294 HydrophobicContact CD2-CD2 4.08Å; L221-M295 HydrophobicContact CD2-SD 4.04Å; L221-L303 HydrophobicContact CD2-CD2 4.42Å; L221-I306 HydrophobicContact CD1-CD1 3.84Å; L221-I306 HydrophobicContact CD2-CD1 3.91Å; L221-I306 HydrophobicContact CG-CD1 3.79Å
222E79.9Confident82Confident90 Ų9034.3 Ų34.342%0.42117%0.166SC..Hα-helixtrans-57.1-45.1175.9-57.8173.5119.900110.8C225 R226 L294 L303E222-C225 PolarHBondContact O-N 3.48Å; E222-R226 WeakPolarHBondContact O-CB 3.47Å; E222-R226 PolarHBondContact O-N 3.05Å; E222-L294 HydrophobicContact CG-CD1 4.03Å; E222-L294 HydrophobicContact CG-CD2 3.91Å; E222-L294 WeakPolarHBondContact OE1-CD1 3.16Å; E222-L303 HydrophobicContact CG-CD2 4.3Å
223E81.8Confident81.7Confident11 Ų1134.3 Ų34.35%0.05117%0.166CC..Hα-helixtrans-69.9-37.6-177.217665.7-168.400112.9Q119 S122 G219 L221 R226 L227Q119-E223 HydrophobicContact CG-CG 4.44Å; S122-E223 WeakPolarHBondContact OG-CG 3.49Å; S122-E223 PolarHBondContact OG-OE1 2.92Å; S122-E223 VanDerWaalsContact OG-OE1 3.12Å; G219-E223 VanDerWaalsContact O-CB 3.28Å; G219-E223 WeakPolarHBondContact O-CB 3.39Å; G219-E223 PolarHBondContact O-N 3.45Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3.02Å; E223-R226 VanDerWaalsContact CD-NH2 3.34Å; E223-R226 WeakPolarHBondContact O-CB 3.29Å; E223-R226 PolarHBondContact O-N 3.18Å; E223-R226 IonicContact OE1-CZ 3.61Å; E223-R226 IonicContact OE1-NE 2.7Å; E223-R226 IonicContact OE1-NH2 3.14Å; E223-R226 PolarHBondContact OE1-NH2 2.94Å; E223-R226 IonicContact OE2-CZ 3.66Å; E223-R226 IonicContact OE2-NE 3.27Å; E223-R226 PolarHBondContact OE2-NE 2.74Å; E223-R226 IonicContact OE2-NH2 3.28Å; E223-R226 PolarHBondContact OE2-NH2 3.12Å; E223-L227 WeakPolarHBondContact O-CG 3.38Å; E223-L227 PolarHBondContact O-N 2.86Å
224L83.2Confident81.6Confident0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-61.9-45.5171.4-76.3171.8000110.7L220 L221 R226 L227 K228 I229 V231L220-L224 HydrophobicContact CD1-CD1 4.36Å; L220-L224 HydrophobicContact CD1-CG 4.2Å; L220-L224 HydrophobicContact CG-CD1 3.97Å; L220-L224 HydrophobicContact CG-CG 4.27Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.23Å; L220-L224 WeakPolarHBondContact O-CG 3.45Å; L220-L224 PolarHBondContact O-N 3.22Å; L221-L224 PolarHBondContact O-N 3.05Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.09Å; L224-L227 PolarHBondContact O-N 2.91Å; L224-K228 PolarHBondContact O-N 2.9Å; L224-I229 CarbonylContact C-O 3.54Å; L224-I229 HydrophobicContact CB-CB 4.43Å; L224-I229 HydrophobicContact CD2-CB 4.35Å; L224-I229 HydrophobicContact CD2-CD1 3.75Å; L224-I229 HydrophobicContact CD2-CG2 4.41Å; L224-I229 WeakPolarHBondContact O-CB 3.42Å; L224-I229 PolarHBondContact O-N 3.43Å; L224-V231 HydrophobicContact CB-CG2 4.07Å; L224-V231 HydrophobicContact CD1-CG2 3.87Å
225C80.6Confident81.7Confident10 Ų1032.1 Ų32.17%0.06815%0.154CC..Hα-helixtrans-61.9-39173.8-70.70000112.3L221 E222 L227 K228 R302 L303L221-C225 PolarHBondContact O-N 2.86Å; L221-C225 VanDerWaalsContact O-N 3.15Å; E222-C225 PolarHBondContact O-N 3.48Å; C225-L227 VanDerWaalsContact C-N 3.34Å; C225-L227 PolarHBondContact O-N 3.49Å; C225-K228 PolarHBondContact O-N 3.13Å; C225-R302 HydrophobicContact CB-CB 4.43Å; C225-L303 HydrophobicContact CB-CD1 4.03Å
226R80.9Confident82Confident140 Ų14036 Ų3653%0.52817%0.168SC..Hα-helixtrans-62.8-37.3175.4-164-169.966.973.55.4112.4E222 E223 L224 K228E222-R226 WeakPolarHBondContact O-CB 3.47Å; E222-R226 PolarHBondContact O-N 3.05Å; E223-R226 VanDerWaalsContact CD-NH2 3.34Å; E223-R226 WeakPolarHBondContact O-CB 3.29Å; E223-R226 PolarHBondContact O-N 3.18Å; E223-R226 IonicContact OE1-CZ 3.61Å; E223-R226 IonicContact OE1-NE 2.7Å; E223-R226 IonicContact OE1-NH2 3.14Å; E223-R226 PolarHBondContact OE1-NH2 2.94Å; E223-R226 IonicContact OE2-CZ 3.66Å; E223-R226 IonicContact OE2-NE 3.27Å; E223-R226 PolarHBondContact OE2-NE 2.74Å; E223-R226 IonicContact OE2-NH2 3.28Å; E223-R226 PolarHBondContact OE2-NH2 3.12Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.09Å; R226-K228 PolarHBondContact O-N 2.84Å
227L79.4Confident82.4Confident5 Ų533.7 Ų33.73%0.02616%0.158CC..THydrogen-bonded Turntrans-78.29.1173.4-68.4-174.8000114.3C27 S122 K123 K126 E223 L224 C225 I229C27-L227 HydrophobicContact CB-CD2 4.44Å; S122-L227 WeakPolarHBondContact OG-CD1 3.14Å; K123-L227 HydrophobicContact CG-CD1 4.04Å; K126-L227 HydrophobicContact CD-CB 4.36Å; K126-L227 HydrophobicContact CD-CD1 4.43Å; K126-L227 PolarHBondContact NZ-O 3.09Å; E223-L227 WeakPolarHBondContact O-CG 3.38Å; E223-L227 PolarHBondContact O-N 2.86Å; L224-L227 PolarHBondContact O-N 2.91Å; C225-L227 VanDerWaalsContact C-N 3.34Å; C225-L227 PolarHBondContact O-N 3.49Å; L227-I229 VanDerWaalsContact C-N 3.31Å; L227-I229 HydrophobicContact CB-CD1 4.44Å; L227-I229 HydrophobicContact CB-CG1 4.47Å; L227-I229 PolarHBondContact O-N 3.45Å
228K77.2Confident82.6Confident137 Ų13733.8 Ų33.860%0.59616%0.159SC*.THydrogen-bonded Turntrans60.435-177.5-54.2170.2-174.6162.50113.3L224 C225 R226L224-K228 PolarHBondContact O-N 2.9Å; C225-K228 PolarHBondContact O-N 3.13Å; R226-K228 PolarHBondContact O-N 2.84Å
229I80.9Confident83.2Confident6 Ų633 Ų333%0.03115%0.153CC..  trans-99.8110.7170.4-57.4173.1000107.5L31 L43 K126 F129 L224 L227 V231L31-I229 HydrophobicContact CD1-CD1 4.44Å; L31-I229 HydrophobicContact CD1-CG1 4.23Å; L43-I229 HydrophobicContact CD2-CG2 3.57Å; K126-I229 HydrophobicContact CB-CD1 3.88Å; K126-I229 HydrophobicContact CD-CD1 4.03Å; K126-I229 HydrophobicContact CD-CG1 4.46Å; K126-I229 HydrophobicContact CG-CD1 3.94Å; F129-I229 HydrophobicContact CD2-CD1 4.15Å; F129-I229 HydrophobicContact CE2-CD1 4.17Å; F129-I229 HydrophobicContact CE2-CG2 4.24Å; L224-I229 CarbonylContact C-O 3.54Å; L224-I229 HydrophobicContact CB-CB 4.43Å; L224-I229 HydrophobicContact CD2-CB 4.35Å; L224-I229 HydrophobicContact CD2-CD1 3.75Å; L224-I229 HydrophobicContact CD2-CG2 4.41Å; L224-I229 WeakPolarHBondContact O-CB 3.42Å; L224-I229 PolarHBondContact O-N 3.43Å; L227-I229 VanDerWaalsContact C-N 3.31Å; L227-I229 HydrophobicContact CB-CD1 4.44Å; L227-I229 HydrophobicContact CB-CG1 4.47Å; L227-I229 PolarHBondContact O-N 3.45Å; I229-V231 PolarHBondContact O-N 2.79Å; I229-V231 VanDerWaalsContact O-N 3.14Å
230D79.4Confident83.6Confident67 Ų6735.3 Ų35.336%0.35816%0.16SC..  trans-78.499.8179.8-75.3-1.1000110H232 R302D230-H232 PolarHBondContact O-CE1 3.43Å; D230-H232 PolarHBondContact O-ND1 2.96Å; D230-R302 IonicContact OD1-NH1 2.79Å; D230-R302 PolarHBondContact OD1-NH1 3.17Å
231V80.5Confident83.6Confident2 Ų237.1 Ų37.11%0.01217%0.169CC..  trans-63.8133.8167-1760000108.4L43 I45 L221 L224 I229 I306L43-V231 HydrophobicContact CD2-CG2 4.16Å; I45-V231 HydrophobicContact CD1-CG1 4.26Å; I45-V231 HydrophobicContact CG1-CG1 4.47Å; L221-V231 HydrophobicContact CD1-CB 4.44Å; L221-V231 HydrophobicContact CD1-CG1 4.2Å; L221-V231 HydrophobicContact CD1-CG2 4.27Å; L224-V231 HydrophobicContact CB-CG2 4.07Å; L224-V231 HydrophobicContact CD1-CG2 3.87Å; I229-V231 PolarHBondContact O-N 2.79Å; I229-V231 VanDerWaalsContact O-N 3.14Å; V231-I306 HydrophobicContact CB-CD1 4.12Å; V231-I306 HydrophobicContact CB-CG1 4.18Å; V231-I306 HydrophobicContact CG1-CG2 4Å
232H82.2Confident83.8Confident22 Ų2238.8 Ų38.810%0.10218%0.177CC..  trans-97.4-40.9-174.7-75.860.3000112.2L43 D230 A307 R350L43-H232 WeakPolarHBondContact O-CB 3.34Å; L43-H232 PolarHBondContact O-N 3.43Å; D230-H232 PolarHBondContact O-CE1 3.43Å; D230-H232 PolarHBondContact O-ND1 2.96Å; H232-A307 PolarHBondContact O-N 3.02Å; H232-R350 VanDerWaalsContact CD2-CD 3.48Å; H232-R350 WeakPolarHBondContact CD2-CD 3.46Å; H232-R350 PolarHBondContact CD2-NE 3.35Å; H232-R350 VanDerWaalsContact CD2-NE 3.28Å; H232-R350 PolarHBondContact NE2-NE 3.07Å
233S83.7Confident84Confident0 Ų042.6 Ų42.60%019%0.192CC..EExtended strand (participates in β ladder)trans-149.7159.117365.70000114.7S44 I45 A307S44-S233 WeakPolarHBondContact CA-O 3.38Å; S44-S233 VanDerWaalsContact CB-OG 3.26Å; S44-S233 WeakPolarHBondContact CB-OG 3.47Å; S44-S233 PolarHBondContact OG-OG 3.17Å; I45-S233 PolarHBondContact N-O 2.96Å; S233-A307 CarbonylContact C-O 3.53Å; S233-A307 WeakPolarHBondContact CA-O 3.23Å; S233-A307 WeakPolarHBondContact CB-O 3.35Å
234I85.6Confident84.2Confident5 Ų546.4 Ų46.43%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-114.7124.5160.6-61.4166.2000106.2I45 L221 W288 T291 I306 A307 L309I45-I234 HydrophobicContact CB-CG1 4.44Å; I45-I234 HydrophobicContact CD1-CG1 4.46Å; I45-I234 WeakPolarHBondContact O-CA 3.43Å; L221-I234 HydrophobicContact CD1-CD1 3.87Å; L221-I234 HydrophobicContact CD1-CG1 4.31Å; L221-I234 HydrophobicContact CD2-CD1 3.77Å; L221-I234 HydrophobicContact CG-CD1 4.49Å; I234-W288 HydrophobicContact CG2-CH2 3.81Å; I234-W288 HydrophobicContact CG2-CZ3 3.84Å; I234-T291 HydrophobicContact CD1-CG2 4.07Å; I234-I306 HydrophobicContact CD1-CG2 4.12Å; I234-I306 HydrophobicContact CG1-CG2 3.93Å; I234-A307 PolarHBondContact N-O 3.17Å; I234-L309 PolarHBondContact O-N 3.02Å
235I88.4Confident84.3Confident5 Ų546.4 Ų46.43%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-109.8119177.8-52.5177.3000107.8I45 L46 S47 L309 I339 L343I45-I235 PolarHBondContact O-N 3.06Å; L46-I235 HydrophobicContact CD1-CB 3.76Å; L46-I235 HydrophobicContact CD1-CG2 3.64Å; S47-I235 PolarHBondContact N-O 3.36Å; S47-I235 VanDerWaalsContact N-O 3.11Å; I235-L309 CarbonylContact C-O 3.55Å; I235-L309 WeakPolarHBondContact CA-O 3.47Å; I235-L309 HydrophobicContact CG1-CB 4.3Å; I235-L309 HydrophobicContact CG1-CD1 4.27Å; I235-I339 HydrophobicContact CD1-CG2 4.5Å; I235-L343 HydrophobicContact CD1-CD2 4.35Å
236R90.8Very high84.5Confident89 Ų8950.1 Ų50.134%0.33623%0.226SC..EExtended strand (participates in β ladder)trans-89.9119.8167.1-179.6168.957167.2-0.5108.2W288 L309 D310 Y311R236-W288 HydrophobicContact CB-CH2 3.49Å; R236-W288 VanDerWaalsContact CB-CH2 3.49Å; R236-W288 HydrophobicContact CB-CZ2 3.66Å; R236-W288 HydrophobicContact CB-CZ3 4.18Å; R236-W288 HydrophobicContact CG-CH2 3.97Å; R236-W288 HydrophobicContact CG-CZ2 3.63Å; R236-L309 PolarHBondContact N-O 3.25Å; R236-D310 WeakPolarHBondContact CB-OD1 3.48Å; R236-D310 IonicContact CZ-OD1 3.33Å; R236-D310 IonicContact CZ-OD2 3.11Å; R236-D310 IonicContact NE-OD1 2.81Å; R236-D310 PolarHBondContact NE-OD1 3.34Å; R236-D310 IonicContact NH2-OD1 2.77Å; R236-D310 PolarHBondContact NH2-OD1 3.03Å; R236-D310 IonicContact NH2-OD2 2.69Å; R236-D310 PolarHBondContact NH2-OD2 3.11Å; R236-Y311 PolarHBondContact O-N 3.48Å
237L90.9Very high84.6Confident0 Ų049 Ų490%023%0.229CC..EExtended strand (participates in β ladder)trans-84.3141173.1-171.1143.2000109.8L46 S47 S49 E53 I57 V239 Y311 V313 M335L46-L237 HydrophobicContact CD1-CB 4.2Å; S47-L237 PolarHBondContact O-N 3.47Å; S49-L237 WeakPolarHBondContact CB-O 3.46Å; S49-L237 PolarHBondContact N-O 3.27Å; E53-L237 HydrophobicContact CB-CD2 3.89Å; E53-L237 HydrophobicContact CG-CD2 4.38Å; E53-L237 VanDerWaalsContact OE2-O 3.13Å; I57-L237 HydrophobicContact CD1-CB 4.43Å; I57-L237 HydrophobicContact CG1-CD1 3.96Å; L237-V239 HydrophobicContact CD2-CG2 3.97Å; L237-Y311 HydrophobicContact CD1-CD1 4.13Å; L237-Y311 HydrophobicContact CG-CD1 4.32Å; L237-V313 HydrophobicContact CD1-CG2 4.35Å; L237-V313 HydrophobicContact CD2-CG2 4.13Å; L237-V313 HydrophobicContact CG-CG2 4.21Å; L237-M335 HydrophobicContact CD1-CE 3.97Å
238H87.5Confident84.7Confident64 Ų6449.7 Ų49.730%0.29623%0.233SC..EExtended strand (participates in β ladder)trans-138.3144.1175.4177.6-89.4000110E53 D240 Y311 N312 V313E53-H238 WeakPolarHBondContact OE1-CA 3.41Å; H238-D240 IonicContact ND1-OD1 2.72Å; H238-Y311 PolarHBondContact N-O 3.46Å; H238-N312 PolarHBondContact ND1-ND2 3.36Å; H238-N312 CarbonylContact O-C 3.52Å; H238-N312 WeakPolarHBondContact O-CA 3.42Å; H238-V313 PolarHBondContact O-N 3.34Å
239V88.6Confident85Confident3 Ų343.8 Ų43.82%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-113.9120.6176.9-177.10000111.7E53 I56 L237 D241 Q242 L245 V313E53-V239 HydrophobicContact CG-CG2 3.91Å; E53-V239 PolarHBondContact OE1-N 2.88Å; I56-V239 HydrophobicContact CG1-CG2 4.47Å; L237-V239 HydrophobicContact CD2-CG2 3.97Å; V239-D241 PolarHBondContact O-N 2.9Å; V239-Q242 PolarHBondContact O-N 2.99Å; V239-L245 HydrophobicContact CB-CD2 4.29Å; V239-L245 HydrophobicContact CG1-CB 4.36Å; V239-L245 HydrophobicContact CG1-CD2 4.4Å; V239-L245 HydrophobicContact CG2-CD2 4.06Å; V239-V313 HydrophobicContact CB-CB 4.48Å; V239-V313 HydrophobicContact CG1-CB 4.44Å; V239-V313 HydrophobicContact CG2-CB 4.04Å; V239-V313 HydrophobicContact CG2-CG2 4.05Å
240D87.1Confident85Confident76 Ų7647.7 Ų47.741%0.40623%0.232SC..THydrogen-bonded Turntrans-63.6-36.7-169.9-68.8-20.1000113.6H238 N312 V313 K314H238-D240 IonicContact ND1-OD1 2.72Å; D240-N312 PolarHBondContact OD1-ND2 2.99Å; D240-V313 PolarHBondContact N-O 3.46Å; D240-V313 VanDerWaalsContact N-O 3.15Å; D240-K314 WeakPolarHBondContact OD2-CA 3.5Å
241D85.5Confident85Confident41 Ų4148.3 Ų48.322%0.21923%0.232CC..THydrogen-bonded Turntrans-109.374.8169.9-163.6-22.8000112V239 K243 Q244 L245 T315V239-D241 PolarHBondContact O-N 2.9Å; D241-K243 PolarHBondContact O-N 3.31Å; D241-K243 VanDerWaalsContact O-N 3.09Å; D241-K243 WeakPolarHBondContact OD1-CA 3.49Å; D241-K243 WeakPolarHBondContact OD1-CB 3.49Å; D241-K243 PolarHBondContact OD1-N 2.83Å; D241-Q244 HydrophobicContact CB-CB 4.24Å; D241-Q244 PolarHBondContact O-N 3.11Å; D241-Q244 PolarHBondContact OD1-N 2.94Å; D241-Q244 WeakPolarHBondContact OD2-CG 3.36Å; D241-Q244 PolarHBondContact OD2-NE2 3.31Å; D241-L245 PolarHBondContact O-N 2.81Å; D241-T315 HydrophobicContact CB-CG2 3.82Å
242Q85Confident85.1Confident41 Ų4148.5 Ų48.519%0.19223%0.232CC..Hα-helixtrans-58.6-18.7174.7-171.863.7-21.800113.7L50 V239 L245 Q246L50-Q242 HydrophobicContact CD1-CG 3.96Å; L50-Q242 VanDerWaalsContact CD1-NE2 3.32Å; V239-Q242 PolarHBondContact O-N 2.99Å; Q242-L245 VanDerWaalsContact OE1-CD2 3.29Å; Q242-Q246 VanDerWaalsContact O-CG 3.23Å; Q242-Q246 WeakPolarHBondContact O-CG 3.46Å; Q242-Q246 PolarHBondContact O-N 3.11Å
243K85.4Confident84.9Confident170 Ų17052.4 Ų52.474%0.73925%0.249SC*.Hα-helixtrans-79.3-43.6176.5-64.7172.2-176.4165.60110.9D241 L245 Q246 I247D241-K243 PolarHBondContact O-N 3.31Å; D241-K243 VanDerWaalsContact O-N 3.09Å; D241-K243 WeakPolarHBondContact OD1-CA 3.49Å; D241-K243 WeakPolarHBondContact OD1-CB 3.49Å; D241-K243 PolarHBondContact OD1-N 2.83Å; K243-L245 VanDerWaalsContact C-N 3.33Å; K243-Q246 PolarHBondContact O-N 3.08Å; K243-I247 WeakPolarHBondContact O-CD1 3.45Å; K243-I247 VanDerWaalsContact O-CG1 3.29Å; K243-I247 WeakPolarHBondContact O-CG1 3.43Å; K243-I247 PolarHBondContact O-N 2.75Å
244Q84.9Confident84.4Confident92 Ų9254 Ų5443%0.4326%0.263SS..Hα-helixtrans-63.7-39.8171.9-76.2-171.869.900111.4D241 Q246 I247 L248 L318D241-Q244 HydrophobicContact CB-CB 4.24Å; D241-Q244 PolarHBondContact O-N 3.11Å; D241-Q244 PolarHBondContact OD1-N 2.94Å; D241-Q244 WeakPolarHBondContact OD2-CG 3.36Å; D241-Q244 PolarHBondContact OD2-NE2 3.31Å; Q244-Q246 PolarHBondContact O-N 3.27Å; Q244-I247 PolarHBondContact O-N 3.37Å; Q244-L248 WeakPolarHBondContact O-CG 3.33Å; Q244-L248 PolarHBondContact O-N 3.49Å; Q244-L318 HydrophobicContact CB-CD2 3.78Å
245L85.4Confident83.8Confident0 Ų057.4 Ų57.40%028%0.278CS..Hα-helixtrans-56.6-49.5173.9-178.460.1000112P52 E53 I56 V239 D241 Q242 K243 I247 L248 I249 L318P52-L245 HydrophobicContact CB-CD2 4.26Å; E53-L245 HydrophobicContact CG-CD2 4.01Å; I56-L245 HydrophobicContact CD1-CD1 3.66Å; I56-L245 HydrophobicContact CG1-CD1 3.63Å; I56-L245 HydrophobicContact CG1-CD2 4.1Å; V239-L245 HydrophobicContact CB-CD2 4.29Å; V239-L245 HydrophobicContact CG1-CB 4.36Å; V239-L245 HydrophobicContact CG1-CD2 4.4Å; V239-L245 HydrophobicContact CG2-CD2 4.06Å; D241-L245 PolarHBondContact O-N 2.81Å; Q242-L245 VanDerWaalsContact OE1-CD2 3.29Å; K243-L245 VanDerWaalsContact C-N 3.33Å; L245-I247 VanDerWaalsContact C-N 3.32Å; L245-I247 PolarHBondContact O-N 3.49Å; L245-L248 PolarHBondContact O-N 3Å; L245-I249 HydrophobicContact CD1-CD1 3.84Å; L245-I249 HydrophobicContact CD1-CG1 4.16Å; L245-I249 HydrophobicContact CD2-CD1 4.31Å; L245-I249 HydrophobicContact CG-CD1 3.73Å; L245-I249 HydrophobicContact CG-CG1 4.43Å; L245-I249 WeakPolarHBondContact O-CG1 3.35Å; L245-I249 PolarHBondContact O-N 2.98Å; L245-L318 HydrophobicContact CD1-CD1 4.33Å
246Q84.2Confident83Confident88 Ų8862.4 Ų62.441%0.41130%0.3SS..Hα-helixtrans-62.5-36.4178.3-72.9-78.239.600112.9P52 Q242 K243 Q244 T250P52-Q246 HydrophobicContact CG-CG 4.49Å; P52-Q246 VanDerWaalsContact CG-NE2 3.3Å; Q242-Q246 VanDerWaalsContact O-CG 3.23Å; Q242-Q246 WeakPolarHBondContact O-CG 3.46Å; Q242-Q246 PolarHBondContact O-N 3.11Å; K243-Q246 PolarHBondContact O-N 3.08Å; Q244-Q246 PolarHBondContact O-N 3.27Å; Q246-T250 VanDerWaalsContact O-CB 3.31Å; Q246-T250 WeakPolarHBondContact O-CB 3.46Å; Q246-T250 PolarHBondContact O-N 3.09Å; Q246-T250 PolarHBondContact O-OG1 3.2Å
247I83.5Confident81.6Confident115 Ų11562.8 Ų62.859%0.5931%0.306SS*.Hα-helixtrans-64.6-44.6174.1-70.1163.5000110.7K243 Q244 L245 T250 K251K243-I247 WeakPolarHBondContact O-CD1 3.45Å; K243-I247 VanDerWaalsContact O-CG1 3.29Å; K243-I247 WeakPolarHBondContact O-CG1 3.43Å; K243-I247 PolarHBondContact O-N 2.75Å; Q244-I247 PolarHBondContact O-N 3.37Å; L245-I247 VanDerWaalsContact C-N 3.32Å; L245-I247 PolarHBondContact O-N 3.49Å; I247-T250 PolarHBondContact O-N 3.37Å; I247-K251 PolarHBondContact O-N 3.18Å
248L82.6Confident79.8Confident20 Ų2073.6 Ų73.611%0.10535%0.347CS..Hα-helixtrans-65-42.5178.6-69.1171.6000112Q244 L245 T250 K251 Q252 L318 P319 D320 L322Q244-L248 WeakPolarHBondContact O-CG 3.33Å; Q244-L248 PolarHBondContact O-N 3.49Å; L245-L248 PolarHBondContact O-N 3Å; L248-T250 VanDerWaalsContact C-N 3.33Å; L248-K251 PolarHBondContact O-N 2.91Å; L248-Q252 WeakPolarHBondContact O-CB 3.42Å; L248-Q252 PolarHBondContact O-N 3.44Å; L248-L318 HydrophobicContact CD1-CD1 4.24Å; L248-L318 HydrophobicContact CD1-CD2 3.72Å; L248-L318 HydrophobicContact CD1-CG 3.73Å; L248-P319 WeakPolarHBondContact CD1-O 3.43Å; L248-D320 WeakPolarHBondContact CD2-O 3.34Å; L248-L322 HydrophobicContact CB-CD1 3.58Å; L248-L322 HydrophobicContact CB-CG 3.88Å; L248-L322 HydrophobicContact CD1-CG 4.42Å
249I83.2Confident78.3Confident13 Ų1373.8 Ų73.87%0.06737%0.367CS..Hα-helixtrans-65.1-38.6175.1-67.7168.8000110.6P52 E55 L245 Q252 K253 L322P52-I249 HydrophobicContact CB-CD1 3.73Å; P52-I249 VanDerWaalsContact O-CD1 3.25Å; P52-I249 WeakPolarHBondContact O-CD1 3.4Å; E55-I249 HydrophobicContact CB-CD1 4.35Å; E55-I249 HydrophobicContact CB-CG1 4.42Å; L245-I249 HydrophobicContact CD1-CD1 3.84Å; L245-I249 HydrophobicContact CD1-CG1 4.16Å; L245-I249 HydrophobicContact CD2-CD1 4.31Å; L245-I249 HydrophobicContact CG-CD1 3.73Å; L245-I249 HydrophobicContact CG-CG1 4.43Å; L245-I249 WeakPolarHBondContact O-CG1 3.35Å; L245-I249 PolarHBondContact O-N 2.98Å; I249-Q252 WeakPolarHBondContact O-CB 3.39Å; I249-Q252 PolarHBondContact O-N 3.47Å; I249-K253 WeakPolarHBondContact O-CG 3.27Å; I249-K253 PolarHBondContact O-N 3.06Å; I249-L322 HydrophobicContact CG1-CD1 3.87Å
250T80.8Confident76.5Confident89 Ų8976.9 Ų76.955%0.54639%0.388SS..Hα-helixtrans-63.5-43.3174.9-58.90000111.3Q246 I247 L248 K253 A254Q246-T250 VanDerWaalsContact O-CB 3.31Å; Q246-T250 WeakPolarHBondContact O-CB 3.46Å; Q246-T250 PolarHBondContact O-N 3.09Å; Q246-T250 PolarHBondContact O-OG1 3.2Å; I247-T250 PolarHBondContact O-N 3.37Å; L248-T250 VanDerWaalsContact C-N 3.33Å; T250-K253 PolarHBondContact O-N 3.15Å; T250-A254 WeakPolarHBondContact O-CB 3.44Å; T250-A254 PolarHBondContact O-N 3.26Å
251K79.9Confident74.5Confident80 Ų8083.1 Ų83.135%0.34841%0.412SS..Hα-helixtrans-61.2-45.8172.9-176.6179.4175.5-172.20111.4I247 L248 K253 A254 E255 D321I247-K251 PolarHBondContact O-N 3.18Å; L248-K251 PolarHBondContact O-N 2.91Å; K251-K253 PolarHBondContact O-N 3.37Å; K251-A254 PolarHBondContact O-N 2.93Å; K251-E255 WeakPolarHBondContact CE-OE1 3.45Å; K251-E255 WeakPolarHBondContact O-CB 3.23Å; K251-E255 WeakPolarHBondContact O-CG 3.33Å; K251-E255 PolarHBondContact O-N 3.39Å; K251-D321 WeakPolarHBondContact CD-OD1 3.21Å; K251-D321 WeakPolarHBondContact CE-OD1 3.28Å; K251-D321 IonicContact NZ-OD1 2.68Å; K251-D321 PolarHBondContact NZ-OD1 3.11Å; K251-D321 IonicContact NZ-OD2 3.58Å; K251-D321 PolarHBondContact NZ-OD2 2.92Å
252Q81.2Confident72.4Confident5 Ų584.6 Ų84.62%0.02344%0.437CS..Hα-helixtrans-58.9-43.5177.7-165-162.80.600111.9E55 L248 I249 K256 L322 N323E55-Q252 VanDerWaalsContact CD-OE1 3.24Å; E55-Q252 PolarHBondContact OE1-NE2 3.3Å; E55-Q252 VanDerWaalsContact OE1-NE2 3.11Å; E55-Q252 PolarHBondContact OE1-OE1 3.43Å; E55-Q252 PolarHBondContact OE2-NE2 3.06Å; E55-Q252 PolarHBondContact OE2-OE1 3.1Å; L248-Q252 WeakPolarHBondContact O-CB 3.42Å; L248-Q252 PolarHBondContact O-N 3.44Å; I249-Q252 WeakPolarHBondContact O-CB 3.39Å; I249-Q252 PolarHBondContact O-N 3.47Å; Q252-K256 VanDerWaalsContact NE2-NZ 3.18Å; Q252-K256 WeakPolarHBondContact O-CB 3.27Å; Q252-K256 VanDerWaalsContact O-CG 3.25Å; Q252-K256 WeakPolarHBondContact O-CG 3.37Å; Q252-K256 PolarHBondContact O-N 3.39Å; Q252-L322 HydrophobicContact CG-CB 4.38Å; Q252-N323 WeakPolarHBondContact CG-OD1 3.22Å
253K78.4Confident70.7Confident105 Ų10586.6 Ų86.646%0.45746%0.455SS..Hα-helixtrans-65.7-45.7174.1-74-173.1178-169.90111.8I249 T250 K251 E255 K256 M257I249-K253 WeakPolarHBondContact O-CG 3.27Å; I249-K253 PolarHBondContact O-N 3.06Å; T250-K253 PolarHBondContact O-N 3.15Å; K251-K253 PolarHBondContact O-N 3.37Å; K253-E255 PolarHBondContact O-N 3.2Å; K253-K256 PolarHBondContact O-N 3.42Å; K253-M257 WeakPolarHBondContact O-CG 3.44Å; K253-M257 PolarHBondContact O-N 3.05Å
254A74.2Confident68.9Low34 Ų3487.9 Ų87.928%0.28146%0.464SS..Hα-helixtrans-61.6-40178.300000112.7T250 K251 M257 W258T250-A254 WeakPolarHBondContact O-CB 3.44Å; T250-A254 PolarHBondContact O-N 3.26Å; K251-A254 PolarHBondContact O-N 2.93Å; A254-M257 PolarHBondContact O-N 3.03Å; A254-W258 PolarHBondContact O-N 2.93Å
255E72.8Confident67.4Low76 Ų7686.9 Ų86.936%0.35546%0.459SS..Hα-helixtrans-69.3-39.3175.5-72.6177.4-17900112.3K251 K253 M257 W258 G259 N323K251-E255 WeakPolarHBondContact CE-OE1 3.45Å; K251-E255 WeakPolarHBondContact O-CB 3.23Å; K251-E255 WeakPolarHBondContact O-CG 3.33Å; K251-E255 PolarHBondContact O-N 3.39Å; K253-E255 PolarHBondContact O-N 3.2Å; E255-M257 VanDerWaalsContact C-N 3.32Å; E255-M257 PolarHBondContact O-N 2.9Å; E255-W258 PolarHBondContact O-N 2.73Å; E255-G259 PolarHBondContact O-N 3.27Å; E255-N323 PolarHBondContact OE2-ND2 3.17Å
256K71.9Confident66.4Low110 Ų11092.5 Ų92.548%0.47849%0.489SS..Hα-helixtrans-58.5-43170.2-73.8167.4-177.3171.60111E55 Q252 K253 S260E55-K256 IonicContact OE1-NZ 2.86Å; E55-K256 PolarHBondContact OE1-NZ 3.18Å; E55-K256 VanDerWaalsContact OE1-NZ 3.1Å; Q252-K256 VanDerWaalsContact NE2-NZ 3.18Å; Q252-K256 WeakPolarHBondContact O-CB 3.27Å; Q252-K256 VanDerWaalsContact O-CG 3.25Å; Q252-K256 WeakPolarHBondContact O-CG 3.37Å; Q252-K256 PolarHBondContact O-N 3.39Å; K253-K256 PolarHBondContact O-N 3.42Å; K256-S260 PolarHBondContact O-N 3.07Å
257M60.1Low65.3Low96 Ų9694 Ų9447%0.47350%0.5SS..Hα-helixtrans-65.4-49.1177-73.3176.5167.300112.6K253 A254 E255 G259 S260K253-M257 WeakPolarHBondContact O-CG 3.44Å; K253-M257 PolarHBondContact O-N 3.05Å; A254-M257 PolarHBondContact O-N 3.03Å; E255-M257 VanDerWaalsContact C-N 3.32Å; E255-M257 PolarHBondContact O-N 2.9Å; M257-G259 VanDerWaalsContact C-N 3.27Å; M257-G259 PolarHBondContact O-N 2.97Å; M257-S260 PolarHBondContact O-N 3.22Å; M257-S260 VanDerWaalsContact O-N 3.17Å
258W54.4Low64.7Low227 Ų22793.8 Ų93.886%0.8650%0.496SS*.Hα-helixtrans-69.8-21.1-180-67.7-5.1000113.7A254 E255A254-W258 PolarHBondContact O-N 2.93Å; E255-W258 PolarHBondContact O-N 2.73Å
259G55.3Low64.4Low68 Ų6897.2 Ų97.270%0.70151%0.512SS*.Hα-helixtrans-75.6-21.6171.400000114.4E255 M257E255-G259 PolarHBondContact O-N 3.27Å; M257-G259 VanDerWaalsContact C-N 3.27Å; M257-G259 PolarHBondContact O-N 2.97Å
260S50.9Low63.4Low68 Ų6899.6 Ų99.648%0.47652%0.523SS..SBendtrans-87.7138.1-178.4-167.50000112.2K256 M257 G262K256-S260 PolarHBondContact O-N 3.07Å; M257-S260 PolarHBondContact O-N 3.22Å; M257-S260 VanDerWaalsContact O-N 3.17Å; S260-G262 PolarHBondContact O-N 3Å
261K45.2Very low63.2Low208 Ų208100.4 Ų100.490%0.90452%0.516SS*.  trans-80.380.7-179.7-77.1-171.3176.3-1790112.3S263K261-S263 VanDerWaalsContact C-N 3.32Å; K261-S263 PolarHBondContact O-N 3.1Å; K261-S263 VanDerWaalsContact O-N 3.13Å
262G41.5Very low63.2Low72 Ų7299.8 Ų99.874%0.74252%0.522SS*.  trans59.235.3152.100000116S260 E264S260-G262 PolarHBondContact O-N 3Å; G262-E264 PolarHBondContact O-N 3.25Å
263S48.6Very low63.1Low82 Ų82103.5 Ų103.557%0.57354%0.539SS*.  trans-71.3110.2155.751.60000107.8K261 Q265K261-S263 VanDerWaalsContact C-N 3.32Å; K261-S263 PolarHBondContact O-N 3.1Å; K261-S263 VanDerWaalsContact O-N 3.13Å; S263-Q265 PolarHBondContact O-N 3.1Å
264E47Very low63.1Low197 Ų197104.4 Ų104.492%0.92155%0.545SS*.  trans-61.4103.4165.8-70.4178.312500107.7G262 N266G262-E264 PolarHBondContact O-N 3.25Å; E264-N266 PolarHBondContact O-N 3.3Å
265Q53.9Low63.5Low72 Ų72108.5 Ų108.534%0.33656%0.559SS.*  trans-64.8121.6169.4-77-177.9-83.300107.4S263S263-Q265 PolarHBondContact O-N 3.1Å
266N63.9Low64.1Low118 Ų118107.7 Ų107.763%0.63157%0.565SS**  trans-66.1144.4-176.9-143.2-12.3000109.3E264 E268 Q269 M270E264-N266 PolarHBondContact O-N 3.3Å; N266-E268 PolarHBondContact O-N 3.26Å; N266-Q269 WeakPolarHBondContact O-CB 3.23Å; N266-Q269 PolarHBondContact O-N 3.24Å; N266-M270 PolarHBondContact O-N 2.99Å
267L62.6Low64.6Low120 Ų120106.3 Ų106.363%0.62856%0.562SS**Hα-helixtrans-60.9-29.9-177-74169.7000112.5M270 R271L267-M270 PolarHBondContact O-N 3.33Å; L267-R271 PolarHBondContact O-N 3.15Å; L267-R271 VanDerWaalsContact O-N 3.1Å
268E70.9Confident65.7Low109 Ų109107 Ų10751%0.50957%0.567SS.*Hα-helixtrans-58.2-42.4168-109.649.4-10900113.3N266 R271 S272N266-E268 PolarHBondContact O-N 3.26Å; E268-R271 PolarHBondContact O-N 3.38Å; E268-R271 IonicContact OE1-CZ 2.83Å; E268-R271 IonicContact OE1-NE 3.91Å; E268-R271 PolarHBondContact OE1-NE 2.94Å; E268-R271 IonicContact OE1-NH2 3.46Å; E268-R271 PolarHBondContact OE1-NH2 3.46Å; E268-R271 IonicContact OE2-CZ 3.29Å; E268-R271 IonicContact OE2-NH2 3.67Å; E268-R271 PolarHBondContact OE2-NH2 2.97Å; E268-S272 PolarHBondContact O-N 3.34Å; E268-S272 PolarHBondContact O-OG 2.92Å
269Q76Confident67.2Low93 Ų93100.8 Ų100.844%0.43555%0.55SS.*Hα-helixtrans-67.6-39.3-179.9-173.8-177.1-2400111N266 S272 E273N266-Q269 WeakPolarHBondContact O-CB 3.23Å; N266-Q269 PolarHBondContact O-N 3.24Å; Q269-S272 PolarHBondContact O-N 3.23Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.46Å; Q269-E273 PolarHBondContact NE2-OE1 3.38Å; Q269-E273 WeakPolarHBondContact O-CB 3.38Å; Q269-E273 WeakPolarHBondContact O-CG 3.34Å; Q269-E273 PolarHBondContact O-N 2.93Å
270M63Low68.7Low62 Ų6298.8 Ų98.831%0.30553%0.527SS..Hα-helixtrans-60.7-43.4173.4-74.8-62.9-49.300111.7N266 L267 E273 E274N266-M270 PolarHBondContact O-N 2.99Å; L267-M270 PolarHBondContact O-N 3.33Å; M270-E273 PolarHBondContact O-N 3.28Å; M270-E274 WeakPolarHBondContact O-CG 3.28Å; M270-E274 PolarHBondContact O-N 2.78Å
271R76.6Confident70.4Confident106 Ų10698.8 Ų98.840%0.452%0.52SS..Hα-helixtrans-60.2-51.2174.8-80-174.6-83.4-84.37.3112.1L267 E268 E273 E274 E275L267-R271 PolarHBondContact O-N 3.15Å; L267-R271 VanDerWaalsContact O-N 3.1Å; E268-R271 PolarHBondContact O-N 3.38Å; E268-R271 IonicContact OE1-CZ 2.83Å; E268-R271 IonicContact OE1-NE 3.91Å; E268-R271 PolarHBondContact OE1-NE 2.94Å; E268-R271 IonicContact OE1-NH2 3.46Å; E268-R271 PolarHBondContact OE1-NH2 3.46Å; E268-R271 IonicContact OE2-CZ 3.29Å; E268-R271 IonicContact OE2-NH2 3.67Å; E268-R271 PolarHBondContact OE2-NH2 2.97Å; R271-E273 VanDerWaalsContact C-N 3.29Å; R271-E273 PolarHBondContact O-N 2.84Å; R271-E274 PolarHBondContact O-N 3.42Å; R271-E275 WeakPolarHBondContact O-CG 3.11Å; R271-E275 PolarHBondContact O-N 2.7Å
272S79.3Confident72.4Confident68 Ų6894.1 Ų94.148%0.47650%0.501SS..Hα-helixtrans-65.3-29.5179.6-58.70000113.5E268 Q269 A276E268-S272 PolarHBondContact O-N 3.34Å; E268-S272 PolarHBondContact O-OG 2.92Å; Q269-S272 PolarHBondContact O-N 3.23Å; S272-A276 VanDerWaalsContact O-CB 3.23Å; S272-A276 WeakPolarHBondContact O-CB 3.45Å; S272-A276 PolarHBondContact O-N 3.15Å
273E79.1Confident74.6Confident83 Ų8395.1 Ų95.139%0.38849%0.486SS..Hα-helixtrans-69.7-36.2170.8-76.4179.7-147.900112.1Q269 M270 R271 L277Q269-E273 WeakPolarHBondContact CG-OE1 3.46Å; Q269-E273 PolarHBondContact NE2-OE1 3.38Å; Q269-E273 WeakPolarHBondContact O-CB 3.38Å; Q269-E273 WeakPolarHBondContact O-CG 3.34Å; Q269-E273 PolarHBondContact O-N 2.93Å; M270-E273 PolarHBondContact O-N 3.28Å; R271-E273 VanDerWaalsContact C-N 3.29Å; R271-E273 PolarHBondContact O-N 2.84Å; E273-L277 WeakPolarHBondContact O-CD1 3.26Å; E273-L277 VanDerWaalsContact O-CG 3.22Å; E273-L277 WeakPolarHBondContact O-CG 3.37Å; E273-L277 PolarHBondContact O-N 2.93Å
274E78.3Confident76.5Confident124 Ų12491.4 Ų91.458%0.57946%0.46SS*.Hα-helixtrans-71.9-42.6174.9-73.2176.717900112.4M270 R271 L277 L278M270-E274 WeakPolarHBondContact O-CG 3.28Å; M270-E274 PolarHBondContact O-N 2.78Å; R271-E274 PolarHBondContact O-N 3.42Å; E274-L277 PolarHBondContact O-N 3.2Å; E274-L278 PolarHBondContact O-N 3.02Å
275E82.1Confident78.3Confident120 Ų12086.4 Ų86.456%0.56143%0.433SS*.Hα-helixtrans-61.1-44.7175.1-71.4162.3-179.600111.8R271 L277 L278 L279R271-E275 WeakPolarHBondContact O-CG 3.11Å; R271-E275 PolarHBondContact O-N 2.7Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.47Å; E275-L278 PolarHBondContact O-N 3.44Å; E275-L279 PolarHBondContact O-N 3.05Å
276A85.9Confident79.8Confident58 Ų5888.5 Ų88.548%0.47944%0.443SS..Hα-helixtrans-65.1-35177.200000112.9S272 A280S272-A276 VanDerWaalsContact O-CB 3.23Å; S272-A276 WeakPolarHBondContact O-CB 3.45Å; S272-A276 PolarHBondContact O-N 3.15Å; A276-A280 WeakPolarHBondContact O-CB 3.35Å; A276-A280 PolarHBondContact O-N 2.94Å; A276-A280 VanDerWaalsContact O-N 3.09Å
277L82.5Confident81Confident81 Ų8183.5 Ų83.542%0.42442%0.415SS..Hα-helixtrans-68.1-41.5174.3-73.6169.1000111.7L51 E273 E274 E275 A280 E281L51-L277 HydrophobicContact CD2-CB 4.26Å; L51-L277 HydrophobicContact CD2-CD2 3.71Å; L51-L277 VanDerWaalsContact CD2-O 3.27Å; L51-L277 WeakPolarHBondContact CD2-O 3.39Å; E273-L277 WeakPolarHBondContact O-CD1 3.26Å; E273-L277 VanDerWaalsContact O-CG 3.22Å; E273-L277 WeakPolarHBondContact O-CG 3.37Å; E273-L277 PolarHBondContact O-N 2.93Å; E274-L277 PolarHBondContact O-N 3.2Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.47Å; L277-A280 PolarHBondContact O-N 3.49Å; L277-E281 PolarHBondContact O-N 2.76Å
278L82.5Confident82.2Confident112 Ų11279.5 Ų79.559%0.58639%0.391SS*.Hα-helixtrans-62.8-45.3177.7-17862.6000111.7E274 E275 E281 E282E274-L278 PolarHBondContact O-N 3.02Å; E275-L278 PolarHBondContact O-N 3.44Å; L278-E281 PolarHBondContact O-N 3.33Å; L278-E282 PolarHBondContact O-N 3.39Å; L278-E282 VanDerWaalsContact O-N 3.08Å
279L86.9Confident82.7Confident95 Ų9581.4 Ų81.450%0.49739%0.394SS..Hα-helixtrans-61.4-44.3176.8179.861.8000112E275 E281 E282 Q283E275-L279 PolarHBondContact O-N 3.05Å; L279-E281 VanDerWaalsContact C-N 3.35Å; L279-E281 PolarHBondContact O-N 2.9Å; L279-E282 PolarHBondContact O-N 3.27Å; L279-Q283 WeakPolarHBondContact O-CG 3.48Å; L279-Q283 PolarHBondContact O-N 3.28Å
280A86.8Confident82.9Confident26 Ų2679.4 Ų79.422%0.21539%0.388CS..Hα-helixtrans-64.1-37.8176.700000112.4L51 A276 L277 E282 Q283 L284L51-A280 HydrophobicContact CD1-CB 3.85Å; L51-A280 HydrophobicContact CD2-CB 4.01Å; A276-A280 WeakPolarHBondContact O-CB 3.35Å; A276-A280 PolarHBondContact O-N 2.94Å; A276-A280 VanDerWaalsContact O-N 3.09Å; L277-A280 PolarHBondContact O-N 3.49Å; A280-E282 VanDerWaalsContact C-N 3.31Å; A280-E282 PolarHBondContact O-N 2.64Å; A280-Q283 PolarHBondContact O-N 3.05Å; A280-L284 WeakPolarHBondContact O-CB 3.19Å; A280-L284 PolarHBondContact O-N 3.34Å
281E86.4Confident83.9Confident69 Ų6976.7 Ų76.732%0.32238%0.375SS..Hα-helixtrans-67-32.2176.2-155.1-166.7141.100112.2L51 L277 L278 L279 R285L51-E281 HydrophobicContact CB-CB 4.47Å; L51-E281 HydrophobicContact CB-CG 4.26Å; L51-E281 HydrophobicContact CD2-CB 4.28Å; L277-E281 PolarHBondContact O-N 2.76Å; L278-E281 PolarHBondContact O-N 3.33Å; L279-E281 VanDerWaalsContact C-N 3.35Å; L279-E281 PolarHBondContact O-N 2.9Å; E281-R285 VanDerWaalsContact CD-NH1 3.3Å; E281-R285 WeakPolarHBondContact O-CG 3.37Å; E281-R285 PolarHBondContact O-N 3.29Å; E281-R285 PolarHBondContact O-NE 3.13Å; E281-R285 IonicContact OE1-CZ 2.72Å; E281-R285 IonicContact OE1-NH1 3.49Å; E281-R285 PolarHBondContact OE1-NH1 3.32Å; E281-R285 IonicContact OE1-NH2 2.75Å
282E86.4Confident84Confident109 Ų10975.2 Ų75.251%0.50938%0.381SS..Hα-helixtrans-72.5-44.6172.5179.6154.1-133.400113.1L278 L279 A280 L284 R285 Q286L278-E282 PolarHBondContact O-N 3.39Å; L278-E282 VanDerWaalsContact O-N 3.08Å; L279-E282 PolarHBondContact O-N 3.27Å; A280-E282 VanDerWaalsContact C-N 3.31Å; A280-E282 PolarHBondContact O-N 2.64Å; E282-L284 VanDerWaalsContact C-N 3.28Å; E282-L284 PolarHBondContact O-N 2.87Å; E282-R285 WeakPolarHBondContact O-CB 3.13Å; E282-R285 PolarHBondContact O-N 3.41Å; E282-R285 VanDerWaalsContact O-N 3.12Å; E282-Q286 PolarHBondContact O-N 3.28Å
283Q87.5Confident83.7Confident93 Ų9375 Ų7544%0.43537%0.374SS..Hα-helixtrans-57.8-42174.5-71.9176.3-0.700111.5L279 A280 Q286 Y287L279-Q283 WeakPolarHBondContact O-CG 3.48Å; L279-Q283 PolarHBondContact O-N 3.28Å; A280-Q283 PolarHBondContact O-N 3.05Å; Q283-Q286 PolarHBondContact O-N 2.97Å; Q283-Y287 WeakPolarHBondContact O-CB 3.28Å; Q283-Y287 PolarHBondContact O-N 3.37Å
284L87.7Confident83.6Confident4 Ų471.8 Ų71.82%0.02136%0.359CS..Hα-helixtrans-63.4-41.3175-178.262.1000112.7P48 E216 A280 E282 Y287 W288P48-L284 HydrophobicContact CB-CD2 4.35Å; P48-L284 HydrophobicContact CG-CD1 3.96Å; P48-L284 HydrophobicContact CG-CD2 3.79Å; E216-L284 HydrophobicContact CG-CD1 4.11Å; A280-L284 WeakPolarHBondContact O-CB 3.19Å; A280-L284 PolarHBondContact O-N 3.34Å; E282-L284 VanDerWaalsContact C-N 3.28Å; E282-L284 PolarHBondContact O-N 2.87Å; L284-Y287 HydrophobicContact CD1-CD1 4.44Å; L284-Y287 PolarHBondContact O-N 2.89Å; L284-W288 VanDerWaalsContact O-CD1 3.29Å; L284-W288 PolarHBondContact O-N 3.27Å; L284-W288 VanDerWaalsContact O-N 3.15Å
285R86.4Confident83.5Confident93 Ų9366.1 Ų66.135%0.35133%0.333SS..Hα-helixtrans-62.1-43.4172.9-80.3-177.3-77.2-96.8-3.2111.9E281 E282 R289E281-R285 VanDerWaalsContact CD-NH1 3.3Å; E281-R285 WeakPolarHBondContact O-CG 3.37Å; E281-R285 PolarHBondContact O-N 3.29Å; E281-R285 PolarHBondContact O-NE 3.13Å; E281-R285 IonicContact OE1-CZ 2.72Å; E281-R285 IonicContact OE1-NH1 3.49Å; E281-R285 PolarHBondContact OE1-NH1 3.32Å; E281-R285 IonicContact OE1-NH2 2.75Å; E282-R285 WeakPolarHBondContact O-CB 3.13Å; E282-R285 PolarHBondContact O-N 3.41Å; E282-R285 VanDerWaalsContact O-N 3.12Å; R285-R289 WeakPolarHBondContact O-CB 3.47Å; R285-R289 WeakPolarHBondContact O-CG 3.29Å; R285-R289 PolarHBondContact O-N 3.02Å
286Q84.5Confident82.8Confident116 Ų11666.4 Ų66.454%0.54233%0.329SS..Hα-helixtrans-64.5-46.3178.3-168.9-177.219.500110.8E282 Q283 W288 R289 T290E282-Q286 PolarHBondContact O-N 3.28Å; Q283-Q286 PolarHBondContact O-N 2.97Å; Q286-W288 PolarHBondContact O-N 3.29Å; Q286-R289 PolarHBondContact O-N 3.42Å; Q286-T290 PolarHBondContact O-N 3.49Å; Q286-T290 PolarHBondContact O-OG1 3.2Å
287Y89.4Confident81.8Confident13 Ų1367.4 Ų67.45%0.05133%0.326CS..Hα-helixtrans-51.5-51175.1168.2-99.4000111.8E216 C218 Q283 L284 T291E216-Y287 HydrophobicContact CB-CD2 4.5Å; E216-Y287 HydrophobicContact CB-CG 4.37Å; E216-Y287 WeakPolarHBondContact O-CD2 3.44Å; C218-Y287 HydrophobicContact CB-CD2 4.41Å; Q283-Y287 WeakPolarHBondContact O-CB 3.28Å; Q283-Y287 PolarHBondContact O-N 3.37Å; L284-Y287 HydrophobicContact CD1-CD1 4.44Å; L284-Y287 PolarHBondContact O-N 2.89Å; Y287-T291 WeakPolarHBondContact O-CB 3.49Å; Y287-T291 PolarHBondContact O-N 3.01Å; Y287-T291 PolarHBondContact O-OG1 3.47Å
288W88.8Confident81Confident35 Ų3565.4 Ų65.413%0.13332%0.315CS..Hα-helixtrans-68-39.8179.4-75.4119.5000112.9P48 I234 R236 L284 Q286 T291 S292P48-W288 PolarHBondContact O-NE1 2.9Å; I234-W288 HydrophobicContact CG2-CH2 3.81Å; I234-W288 HydrophobicContact CG2-CZ3 3.84Å; R236-W288 HydrophobicContact CB-CH2 3.49Å; R236-W288 VanDerWaalsContact CB-CH2 3.49Å; R236-W288 HydrophobicContact CB-CZ2 3.66Å; R236-W288 HydrophobicContact CB-CZ3 4.18Å; R236-W288 HydrophobicContact CG-CH2 3.97Å; R236-W288 HydrophobicContact CG-CZ2 3.63Å; L284-W288 VanDerWaalsContact O-CD1 3.29Å; L284-W288 PolarHBondContact O-N 3.27Å; L284-W288 VanDerWaalsContact O-N 3.15Å; Q286-W288 PolarHBondContact O-N 3.29Å; W288-T291 PolarHBondContact O-N 2.98Å; W288-S292 WeakPolarHBondContact O-CB 3.34Å; W288-S292 PolarHBondContact O-N 3.42Å; W288-S292 PolarHBondContact O-OG 3.35Å
289R79.8Confident79.8Confident149 Ų14961.9 Ų61.956%0.56230%0.298SS*.Hα-helixtrans-58-54174.5-76.8168.5168.1163.2-8.1111.7R285 Q286 T291 S292 I293R285-R289 WeakPolarHBondContact O-CB 3.47Å; R285-R289 WeakPolarHBondContact O-CG 3.29Å; R285-R289 PolarHBondContact O-N 3.02Å; Q286-R289 PolarHBondContact O-N 3.42Å; R289-T291 PolarHBondContact O-N 3.29Å; R289-S292 PolarHBondContact O-N 3.1Å; R289-I293 WeakPolarHBondContact O-CG1 3.4Å; R289-I293 PolarHBondContact O-N 3.38Å; R289-I293 VanDerWaalsContact O-N 3.1Å
290T80.8Confident78.3Confident51 Ų5161.7 Ų61.731%0.31329%0.291SS..Hα-helixtrans-64.2-40.3179.7-50.60000111.4C218 Q286 S292 I293 L294C218-T290 HydrophobicContact CB-CG2 4.1Å; Q286-T290 PolarHBondContact O-N 3.49Å; Q286-T290 PolarHBondContact O-OG1 3.2Å; T290-S292 PolarHBondContact O-N 2.96Å; T290-I293 PolarHBondContact O-N 2.92Å; T290-L294 VanDerWaalsContact O-CB 3.28Å; T290-L294 WeakPolarHBondContact O-CB 3.49Å; T290-L294 PolarHBondContact O-N 2.92Å
291T83.9Confident77.3Confident6 Ų664.8 Ų64.84%0.03730%0.304CS..Hα-helixtrans-63.5-41176.2-57.70000111.6I234 Y287 W288 R289 L294 M295I234-T291 HydrophobicContact CD1-CG2 4.07Å; Y287-T291 WeakPolarHBondContact O-CB 3.49Å; Y287-T291 PolarHBondContact O-N 3.01Å; Y287-T291 PolarHBondContact O-OG1 3.47Å; W288-T291 PolarHBondContact O-N 2.98Å; R289-T291 PolarHBondContact O-N 3.29Å; T291-L294 PolarHBondContact O-N 3.45Å; T291-M295 HydrophobicContact CG2-CG 4.21Å; T291-M295 VanDerWaalsContact O-CB 3.29Å; T291-M295 WeakPolarHBondContact O-CB 3.34Å; T291-M295 WeakPolarHBondContact O-CG 3.24Å; T291-M295 PolarHBondContact O-N 3.16Å
292S79.3Confident76.5Confident74 Ų7467.7 Ų67.752%0.51731%0.312SS..Hα-helixtrans-63.3-41176.1-67.30000112.6W288 R289 T290 R296W288-S292 WeakPolarHBondContact O-CB 3.34Å; W288-S292 PolarHBondContact O-N 3.42Å; W288-S292 PolarHBondContact O-OG 3.35Å; R289-S292 PolarHBondContact O-N 3.1Å; T290-S292 PolarHBondContact O-N 2.96Å; S292-R296 WeakPolarHBondContact O-CB 3.28Å; S292-R296 PolarHBondContact O-N 3.49Å
293I72.4Confident75.7Confident63 Ų6363.3 Ų63.332%0.32329%0.292SS..Hα-helixtrans-66.2-51.1175.5-64.4164.9000110.3R289 T290 M295 R296 D297R289-I293 WeakPolarHBondContact O-CG1 3.4Å; R289-I293 PolarHBondContact O-N 3.38Å; R289-I293 VanDerWaalsContact O-N 3.1Å; T290-I293 PolarHBondContact O-N 2.92Å; I293-M295 VanDerWaalsContact C-N 3.3Å; I293-M295 PolarHBondContact O-N 2.89Å; I293-R296 WeakPolarHBondContact O-CB 3.49Å; I293-R296 PolarHBondContact O-N 3.45Å; I293-D297 PolarHBondContact O-N 3.37Å
294L77.6Confident74.6Confident16 Ų1658.9 Ų58.98%0.08427%0.271CS..Hα-helixtrans-55.3-45.1178.7-176.972.7000111.7L221 E222 T290 T291 H298 L303L221-L294 HydrophobicContact CD2-CD2 4.08Å; E222-L294 HydrophobicContact CG-CD1 4.03Å; E222-L294 HydrophobicContact CG-CD2 3.91Å; E222-L294 WeakPolarHBondContact OE1-CD1 3.16Å; T290-L294 VanDerWaalsContact O-CB 3.28Å; T290-L294 WeakPolarHBondContact O-CB 3.49Å; T290-L294 PolarHBondContact O-N 2.92Å; T291-L294 PolarHBondContact O-N 3.45Å; L294-H298 WeakPolarHBondContact O-CB 3.38Å; L294-H298 PolarHBondContact O-CD2 3.43Å; L294-H298 PolarHBondContact O-N 2.99Å; L294-H298 VanDerWaalsContact O-N 3.07Å; L294-L303 HydrophobicContact CD1-CD2 3.96Å; L294-L303 HydrophobicContact CD2-CD2 3.76Å; L294-L303 HydrophobicContact CG-CD2 3.71Å
295M76.8Confident74.3Confident6 Ų660.5 Ų60.53%0.0328%0.28CS..Hα-helixtrans-71.3-33.8176.8-68.5-59.7-67.900112.4L221 T291 I293 L303 I306 T308 R894L221-M295 HydrophobicContact CD2-SD 4.04Å; T291-M295 HydrophobicContact CG2-CG 4.21Å; T291-M295 VanDerWaalsContact O-CB 3.29Å; T291-M295 WeakPolarHBondContact O-CB 3.34Å; T291-M295 WeakPolarHBondContact O-CG 3.24Å; T291-M295 PolarHBondContact O-N 3.16Å; I293-M295 VanDerWaalsContact C-N 3.3Å; I293-M295 PolarHBondContact O-N 2.89Å; M295-L303 WeakPolarHBondContact CE-O 3.31Å; M295-I306 HydrophobicContact CE-CB 3.96Å; M295-I306 HydrophobicContact CE-CG2 4.47Å; M295-I306 VanDerWaalsContact CE-O 3.27Å; M295-I306 WeakPolarHBondContact CE-O 3.38Å; M295-T308 HydrophobicContact CE-CG2 3.87Å; M295-T308 HydrophobicContact CG-CG2 4.4Å; M295-R894 PolarHBondContact O-NH1 3.37Å; M295-R894 PolarHBondContact O-NH2 3.08Å
296R66.5Low74Confident126 Ų12656.1 Ų56.148%0.47526%0.263SS..Hα-helixtrans-64.2-45.5173.7-172.2-165.866.6-175.8-5.3111S292 I293 V299S292-R296 WeakPolarHBondContact O-CB 3.28Å; S292-R296 PolarHBondContact O-N 3.49Å; I293-R296 WeakPolarHBondContact O-CB 3.49Å; I293-R296 PolarHBondContact O-N 3.45Å; R296-V299 WeakPolarHBondContact O-CG2 3.5Å
297D64.8Low73.9Confident79 Ų7950.6 Ų50.642%0.42224%0.238SC..Hα-helixtrans-81.8-29.7-168.7-63.4-3.2000112.1I293 V299I293-D297 PolarHBondContact O-N 3.37Å; D297-V299 PolarHBondContact O-N 3.25Å
298H65.5Low73.6Confident39 Ų3953.1 Ų53.118%0.18125%0.254CS..  trans-94.770174.1-68.7-79.6000112.7L294 D301 L303 G304L294-H298 WeakPolarHBondContact O-CB 3.38Å; L294-H298 PolarHBondContact O-CD2 3.43Å; L294-H298 PolarHBondContact O-N 2.99Å; L294-H298 VanDerWaalsContact O-N 3.07Å; H298-D301 HydrophobicContact CB-CB 4.34Å; H298-D301 IonicContact CE1-OD2 2.67Å; H298-D301 IonicContact CG-OD2 3.69Å; H298-D301 IonicContact ND1-OD2 3.53Å; H298-D301 PolarHBondContact ND1-OD2 2.87Å; H298-L303 HydrophobicContact CB-CB 3.89Å; H298-L303 HydrophobicContact CB-CD2 4.39Å; H298-G304 WeakPolarHBondContact O-CA 3.45Å; H298-G304 PolarHBondContact O-N 2.83Å
299V57.1Low73.5Confident38 Ų3853.5 Ų53.523%0.2326%0.259CS..SBendtrans-72.4-40.6-178.7-1720000113.4R296 D297 G304 P895R296-V299 WeakPolarHBondContact O-CG2 3.5Å; D297-V299 PolarHBondContact O-N 3.25Å; V299-G304 WeakPolarHBondContact O-CA 3.45Å; V299-P895 HydrophobicContact CG1-CB 4.48Å; V299-P895 HydrophobicContact CG1-CG 3.57Å
300Y55.9Low73.8Confident91 Ų9151 Ų5136%0.35726%0.257SS..SBendtrans-113.2-6.6-167.9-54.2-72.5000114.2T890 N1088Y300-T890 WeakPolarHBondContact CD1-O 3.37Å; Y300-N1088 HydrophobicContact CD2-CB 3.89Å; Y300-N1088 HydrophobicContact CE1-CB 4.26Å; Y300-N1088 HydrophobicContact CE2-CB 3.54Å; Y300-N1088 HydrophobicContact CG-CB 4.41Å; Y300-N1088 PolarHBondContact OH-O 2.94Å
301D66.1Low74.2Confident91 Ų9149.1 Ų49.149%0.48724%0.244SC..SBendtrans-76.6-179176.2-74.6-49.8000112.9H298 L303 G304H298-D301 HydrophobicContact CB-CB 4.34Å; H298-D301 IonicContact CE1-OD2 2.67Å; H298-D301 IonicContact CG-OD2 3.69Å; H298-D301 IonicContact ND1-OD2 3.53Å; H298-D301 PolarHBondContact ND1-OD2 2.87Å; D301-L303 PolarHBondContact O-N 3.08Å; D301-L303 VanDerWaalsContact O-N 3.11Å; D301-G304 WeakPolarHBondContact O-CA 3.46Å; D301-G304 PolarHBondContact O-N 3.42Å
302R68.6Low74.4Confident130 Ų13052.1 Ų52.149%0.49126%0.26SS..G310 helixtrans-50.5-33.6169.6-76-175.1172.2-99.1-4.4113.4C225 D230 G304 N305C225-R302 HydrophobicContact CB-CB 4.43Å; D230-R302 IonicContact OD1-NH1 2.79Å; D230-R302 PolarHBondContact OD1-NH1 3.17Å; R302-G304 VanDerWaalsContact C-N 3.33Å; R302-N305 WeakPolarHBondContact O-CB 3.28Å; R302-N305 PolarHBondContact O-N 2.87Å
303L70.7Confident74.7Confident16 Ų1648.7 Ų48.78%0.08424%0.236CC..G310 helixtrans-69.1-31.2176.4-77.171.8000112L221 E222 C225 L294 M295 H298 D301 N305 I306L221-L303 HydrophobicContact CD2-CD2 4.42Å; E222-L303 HydrophobicContact CG-CD2 4.3Å; C225-L303 HydrophobicContact CB-CD1 4.03Å; L294-L303 HydrophobicContact CD1-CD2 3.96Å; L294-L303 HydrophobicContact CD2-CD2 3.76Å; L294-L303 HydrophobicContact CG-CD2 3.71Å; M295-L303 WeakPolarHBondContact CE-O 3.31Å; H298-L303 HydrophobicContact CB-CB 3.89Å; H298-L303 HydrophobicContact CB-CD2 4.39Å; D301-L303 PolarHBondContact O-N 3.08Å; D301-L303 VanDerWaalsContact O-N 3.11Å; L303-N305 PolarHBondContact O-N 3.37Å; L303-I306 HydrophobicContact CB-CD1 4.31Å; L303-I306 HydrophobicContact CG-CD1 4.25Å; L303-I306 WeakPolarHBondContact O-CB 3.31Å; L303-I306 WeakPolarHBondContact O-CG1 3.49Å; L303-I306 PolarHBondContact O-N 3.44Å
304G65Low75.3Confident0 Ų050.1 Ų50.10%024%0.24CC..G310 helixtrans-61.2-13.8171.200000114.2H298 V299 D301 R302 G892 F893 R894H298-G304 WeakPolarHBondContact O-CA 3.45Å; H298-G304 PolarHBondContact O-N 2.83Å; V299-G304 WeakPolarHBondContact O-CA 3.45Å; D301-G304 WeakPolarHBondContact O-CA 3.46Å; D301-G304 PolarHBondContact O-N 3.42Å; R302-G304 VanDerWaalsContact C-N 3.33Å; G304-G892 CarbonylContact O-C 3.56Å; G304-F893 PolarHBondContact O-N 3.48Å; G304-R894 WeakPolarHBondContact O-CB 3.3Å; G304-R894 PolarHBondContact O-N 2.99Å
305N79.6Confident75.3Confident38 Ų3852.4 Ų52.420%0.20325%0.254CS..G310 helixtrans-89.73174.5-62.8-39.5000114.5R302 L303 R350 W353 G892 F893R302-N305 WeakPolarHBondContact O-CB 3.28Å; R302-N305 PolarHBondContact O-N 2.87Å; L303-N305 PolarHBondContact O-N 3.37Å; N305-R350 PolarHBondContact O-NH1 2.65Å; N305-W353 HydrophobicContact CB-CH2 4.48Å; N305-W353 WeakPolarHBondContact OD1-CH2 3.31Å; N305-W353 VanDerWaalsContact OD1-CZ2 3.23Å; N305-W353 WeakPolarHBondContact OD1-CZ2 3.46Å; N305-G892 VanDerWaalsContact OD1-CA 3.25Å; N305-G892 WeakPolarHBondContact OD1-CA 3.42Å; N305-F893 HydrophobicContact CB-CB 4.32Å; N305-F893 PolarHBondContact OD1-N 3.06Å
306I80.6Confident75.3Confident1 Ų159.1 Ų59.11%0.00529%0.286CS..SBendtrans-96.3118.9178.9-52.5170.6000108.4L221 V231 I234 M295 L303 R894L221-I306 HydrophobicContact CD1-CD1 3.84Å; L221-I306 HydrophobicContact CD2-CD1 3.91Å; L221-I306 HydrophobicContact CG-CD1 3.79Å; V231-I306 HydrophobicContact CB-CD1 4.12Å; V231-I306 HydrophobicContact CB-CG1 4.18Å; V231-I306 HydrophobicContact CG1-CG2 4Å; I234-I306 HydrophobicContact CD1-CG2 4.12Å; I234-I306 HydrophobicContact CG1-CG2 3.93Å; M295-I306 HydrophobicContact CE-CB 3.96Å; M295-I306 HydrophobicContact CE-CG2 4.47Å; M295-I306 VanDerWaalsContact CE-O 3.27Å; M295-I306 WeakPolarHBondContact CE-O 3.38Å; L303-I306 HydrophobicContact CB-CD1 4.31Å; L303-I306 HydrophobicContact CG-CD1 4.25Å; L303-I306 WeakPolarHBondContact O-CB 3.31Å; L303-I306 WeakPolarHBondContact O-CG1 3.49Å; L303-I306 PolarHBondContact O-N 3.44Å; I306-R894 WeakPolarHBondContact O-CB 3.33Å
307A83.4Confident75.8Confident1 Ų155.3 Ų55.31%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-76.1130.8178.500000111.5H232 S233 I234 L346 F893 L897H232-A307 PolarHBondContact O-N 3.02Å; S233-A307 CarbonylContact C-O 3.53Å; S233-A307 WeakPolarHBondContact CA-O 3.23Å; S233-A307 WeakPolarHBondContact CB-O 3.35Å; I234-A307 PolarHBondContact N-O 3.17Å; A307-L346 HydrophobicContact CB-CD1 3.65Å; A307-L346 HydrophobicContact CB-CD2 4.32Å; A307-F893 HydrophobicContact CB-CD1 4.24Å; A307-F893 HydrophobicContact CB-CE1 4.01Å; A307-L897 HydrophobicContact CB-CD1 3.85Å
308T82.9Confident76.7Confident65 Ų6552.6 Ų52.640%0.39926%0.26SS..EExtended strand (participates in β ladder)trans-93.5119.7171.549.40000109.2M295M295-T308 HydrophobicContact CE-CG2 3.87Å; M295-T308 HydrophobicContact CG-CG2 4.4Å
309L85.6Confident77.3Confident43 Ų4351.4 Ų51.423%0.22526%0.255CS..EExtended strand (participates in β ladder)trans-127139.7-176.4-60.6174.5000110.7I234 I235 R236 I342 L346I234-L309 PolarHBondContact O-N 3.02Å; I235-L309 CarbonylContact C-O 3.55Å; I235-L309 WeakPolarHBondContact CA-O 3.47Å; I235-L309 HydrophobicContact CG1-CB 4.3Å; I235-L309 HydrophobicContact CG1-CD1 4.27Å; R236-L309 PolarHBondContact N-O 3.25Å; L309-I342 HydrophobicContact CD1-CG2 3.88Å; L309-L346 HydrophobicContact CD1-CD1 4.36Å; L309-L346 HydrophobicContact CD1-CD2 4.28Å
310D87.4Confident78.2Confident98 Ų9856.5 Ų56.552%0.52428%0.281SS..EExtended strand (participates in β ladder)trans-104.9130.9169.1-70.8-32.4000109.2R236R236-D310 WeakPolarHBondContact CB-OD1 3.48Å; R236-D310 IonicContact CZ-OD1 3.33Å; R236-D310 IonicContact CZ-OD2 3.11Å; R236-D310 IonicContact NE-OD1 2.81Å; R236-D310 PolarHBondContact NE-OD1 3.34Å; R236-D310 IonicContact NH2-OD1 2.77Å; R236-D310 PolarHBondContact NH2-OD1 3.03Å; R236-D310 IonicContact NH2-OD2 2.69Å; R236-D310 PolarHBondContact NH2-OD2 3.11Å
311Y88.2Confident79Confident11 Ų1154.5 Ų54.54%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-119.6106.4176.2177.2-109.1000110.9R236 L237 H238 V313 M335 E338 I339 I342R236-Y311 PolarHBondContact O-N 3.48Å; L237-Y311 HydrophobicContact CD1-CD1 4.13Å; L237-Y311 HydrophobicContact CG-CD1 4.32Å; H238-Y311 PolarHBondContact N-O 3.46Å; Y311-V313 HydrophobicContact CD1-CG2 4.39Å; Y311-V313 HydrophobicContact CE1-CG2 3.95Å; Y311-M335 HydrophobicContact CE1-CE 3.88Å; Y311-M335 HydrophobicContact CE1-SD 3.89Å; Y311-E338 HydrophobicContact CE2-CB 3.9Å; Y311-E338 WeakPolarHBondContact CE2-OE2 3.43Å; Y311-E338 PolarHBondContact OH-OE2 2.96Å; Y311-I339 HydrophobicContact CD1-CD1 3.94Å; Y311-I339 HydrophobicContact CD1-CG1 4.05Å; Y311-I339 HydrophobicContact CD2-CG1 4.33Å; Y311-I339 HydrophobicContact CE1-CD1 3.85Å; Y311-I339 HydrophobicContact CE1-CG1 3.97Å; Y311-I339 HydrophobicContact CE2-CG1 4.29Å; Y311-I339 HydrophobicContact CG-CG1 4.23Å; Y311-I342 HydrophobicContact CD2-CD1 3.74Å; Y311-I342 HydrophobicContact CE2-CD1 4.23Å
312N87.8Confident79.3Confident69 Ų6950.2 Ų50.237%0.36925%0.254SS..EExtended strand (participates in β ladder)trans-91118-179.2-76.447000111.8H238 D240 K314H238-N312 PolarHBondContact ND1-ND2 3.36Å; H238-N312 CarbonylContact O-C 3.52Å; H238-N312 WeakPolarHBondContact O-CA 3.42Å; D240-N312 PolarHBondContact OD1-ND2 2.99Å; N312-K314 PolarHBondContact O-N 2.94Å
313V86.2Confident79.5Confident1 Ų147.2 Ų47.21%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-78.2104.7172.1-172.80000109.2L237 H238 V239 D240 Y311 F331 M335L237-V313 HydrophobicContact CD1-CG2 4.35Å; L237-V313 HydrophobicContact CD2-CG2 4.13Å; L237-V313 HydrophobicContact CG-CG2 4.21Å; H238-V313 PolarHBondContact O-N 3.34Å; V239-V313 HydrophobicContact CB-CB 4.48Å; V239-V313 HydrophobicContact CG1-CB 4.44Å; V239-V313 HydrophobicContact CG2-CB 4.04Å; V239-V313 HydrophobicContact CG2-CG2 4.05Å; D240-V313 PolarHBondContact N-O 3.46Å; D240-V313 VanDerWaalsContact N-O 3.15Å; Y311-V313 HydrophobicContact CD1-CG2 4.39Å; Y311-V313 HydrophobicContact CE1-CG2 3.95Å; V313-F331 HydrophobicContact CG1-CE2 3.98Å; V313-F331 HydrophobicContact CG1-CZ 4.04Å; V313-M335 HydrophobicContact CB-SD 4.35Å; V313-M335 HydrophobicContact CG1-SD 3.77Å; V313-M335 HydrophobicContact CG2-CE 3.68Å; V313-M335 HydrophobicContact CG2-SD 3.72Å
314K85.4Confident79.8Confident94 Ų9447.7 Ų47.741%0.40926%0.256SS..  trans-57.1138.6177.9-59.9158.8-168.5155.30111D240 N312 E316 L317 E338D240-K314 WeakPolarHBondContact OD2-CA 3.5Å; N312-K314 PolarHBondContact O-N 2.94Å; K314-E316 PolarHBondContact O-N 3.44Å; K314-E316 VanDerWaalsContact O-N 3.1Å; K314-L317 HydrophobicContact CB-CD1 4.29Å; K314-L317 HydrophobicContact CB-CG 4.28Å; K314-L317 HydrophobicContact CD-CD1 4.23Å; K314-L317 PolarHBondContact O-N 3.22Å; K314-E338 IonicContact NZ-OE1 2.84Å; K314-E338 PolarHBondContact NZ-OE1 2.92Å; K314-E338 IonicContact NZ-OE2 3.68Å
315T76.5Confident80.4Confident63 Ų6351.6 Ų51.639%0.38729%0.288SS..G310 helixtrans-53.5-33.3176.3-44.60000113.1D241 L317 L318D241-T315 HydrophobicContact CB-CG2 3.82Å; T315-L317 PolarHBondContact O-N 2.97Å; T315-L318 PolarHBondContact O-N 3.02Å
316E76.9Confident80.3Confident148 Ų14857.5 Ų57.569%0.69232%0.315SS*.G310 helixtrans-65.9-18.7178.3-64.2176.7-163.400114.5K314K314-E316 PolarHBondContact O-N 3.44Å; K314-E316 VanDerWaalsContact O-N 3.1Å
317L78.7Confident80.2Confident46 Ų4660.5 Ų60.524%0.24133%0.331CS..G310 helixtrans-92.7-19.3-179.8-64.4177.2000113K314 T315 F331 T334K314-L317 HydrophobicContact CB-CD1 4.29Å; K314-L317 HydrophobicContact CB-CG 4.28Å; K314-L317 HydrophobicContact CD-CD1 4.23Å; K314-L317 PolarHBondContact O-N 3.22Å; T315-L317 PolarHBondContact O-N 2.97Å; L317-F331 HydrophobicContact CB-CD2 4.31Å; L317-F331 HydrophobicContact CB-CE2 4.13Å; L317-F331 WeakPolarHBondContact O-CD2 3.24Å; L317-F331 WeakPolarHBondContact O-CE2 3.5Å; L317-T334 HydrophobicContact CD1-CG2 4.43Å; L317-T334 HydrophobicContact CD2-CG2 3.75Å
318L81.7Confident80.1Confident22 Ų2263.1 Ų63.112%0.11534%0.341CS..SBendtrans-66.7124-173.7-168.371.8000110.3I56 Q244 L245 L248 T315I56-L318 HydrophobicContact CD1-CD1 4.05Å; Q244-L318 HydrophobicContact CB-CD2 3.78Å; L245-L318 HydrophobicContact CD1-CD1 4.33Å; L248-L318 HydrophobicContact CD1-CD1 4.24Å; L248-L318 HydrophobicContact CD1-CD2 3.72Å; L248-L318 HydrophobicContact CD1-CG 3.73Å; T315-L318 PolarHBondContact O-N 3.02Å
319P79.2Confident80.1Confident14 Ų1462.2 Ų62.29%0.09134%0.34CS..  trans-75.2141.1-173.329.2-34.4000112.2L248 D321 L322 N327 F331L248-P319 WeakPolarHBondContact CD1-O 3.43Å; P319-D321 PolarHBondContact O-N 2.85Å; P319-L322 HydrophobicContact CG-CD2 4.07Å; P319-N327 HydrophobicContact CB-CB 4.29Å; P319-F331 HydrophobicContact CB-CB 4.38Å; P319-F331 HydrophobicContact CG-CB 4.16Å; P319-F331 HydrophobicContact CG-CD1 3.88Å; P319-F331 HydrophobicContact CG-CG 4.04Å
320D75.8Confident80Confident144 Ų14463.5 Ų63.577%0.7735%0.352SS*.SBendtrans-50-28.5176.5-71.8-50.8000113.9L248L248-D320 WeakPolarHBondContact CD2-O 3.34Å
321D73.2Confident80Confident49 Ų4959.2 Ų59.226%0.26233%0.329SS..  trans-148.3116.9-178.4-103-41.3000113.3K251 P319 N323 G324K251-D321 WeakPolarHBondContact CD-OD1 3.21Å; K251-D321 WeakPolarHBondContact CE-OD1 3.28Å; K251-D321 IonicContact NZ-OD1 2.68Å; K251-D321 PolarHBondContact NZ-OD1 3.11Å; K251-D321 IonicContact NZ-OD2 3.58Å; K251-D321 PolarHBondContact NZ-OD2 2.92Å; P319-D321 PolarHBondContact O-N 2.85Å; D321-N323 PolarHBondContact O-N 3.32Å; D321-G324 PolarHBondContact O-N 2.69Å
322L72.6Confident79.9Confident2 Ų258.7 Ų58.71%0.0133%0.327CS..THydrogen-bonded Turntrans-69.6-14.4178.3-71.6175.8000113.9I56 I59 L248 I249 Q252 P319 R328I56-L322 HydrophobicContact CD1-CD2 4.18Å; I59-L322 HydrophobicContact CD1-CD2 3.72Å; L248-L322 HydrophobicContact CB-CD1 3.58Å; L248-L322 HydrophobicContact CB-CG 3.88Å; L248-L322 HydrophobicContact CD1-CG 4.42Å; I249-L322 HydrophobicContact CG1-CD1 3.87Å; Q252-L322 HydrophobicContact CG-CB 4.38Å; P319-L322 HydrophobicContact CG-CD2 4.07Å; L322-R328 WeakPolarHBondContact O-CD 3.35Å; L322-R328 VanDerWaalsContact O-CG 3.26Å; L322-R328 WeakPolarHBondContact O-CG 3.48Å; L322-R328 PolarHBondContact O-NH1 2.91Å
323N72.9Confident79.9Confident66 Ų6656 Ų5635%0.35331%0.314SS..THydrogen-bonded Turntrans-91.4-11.8177.5-84.4-27.2000113.9Q252 E255 D321 A325Q252-N323 WeakPolarHBondContact CG-OD1 3.22Å; E255-N323 PolarHBondContact OE2-ND2 3.17Å; D321-N323 PolarHBondContact O-N 3.32Å; N323-A325 PolarHBondContact O-N 3.1Å
324G75.9Confident79.9Confident26 Ų2658.7 Ų58.727%0.26833%0.331SS..  trans-72.2113.4178.300000111.6D321 E326 N327 R328D321-G324 PolarHBondContact O-N 2.69Å; G324-E326 VanDerWaalsContact C-N 3.33Å; G324-E326 PolarHBondContact O-N 3.31Å; G324-N327 PolarHBondContact O-N 3.43Å; G324-R328 WeakPolarHBondContact O-CG 3.31Å; G324-R328 PolarHBondContact O-N 2.9Å
325A77.4Confident80Confident82 Ų8254.3 Ų54.368%0.67831%0.312SS*.Hα-helixtrans-59.9-40-176.400000113.3N323 A329N323-A325 PolarHBondContact O-N 3.1Å; A325-A329 WeakPolarHBondContact O-CB 3.26Å; A325-A329 PolarHBondContact O-N 3.03Å; A325-A329 VanDerWaalsContact O-N 3.14Å
326E78.7Confident80.7Confident163 Ų16351.4 Ų51.476%0.76229%0.294SS*.Hα-helixtrans-66.9-46.7175.1-170.1168.4-17200111.2G324 R328 A329 S330G324-E326 VanDerWaalsContact C-N 3.33Å; G324-E326 PolarHBondContact O-N 3.31Å; E326-R328 PolarHBondContact O-N 2.7Å; E326-A329 PolarHBondContact O-N 2.72Å; E326-A329 VanDerWaalsContact O-N 3.14Å; E326-S330 PolarHBondContact O-N 2.64Å; E326-S330 PolarHBondContact O-OG 3.42Å
327N78.7Confident81.2Confident63 Ų6346.9 Ų46.934%0.33727%0.274SS..Hα-helixtrans-62.1-42.4177.8-62.74.6000112.7P319 G324 A329 S330 F331P319-N327 HydrophobicContact CB-CB 4.29Å; G324-N327 PolarHBondContact O-N 3.43Å; N327-A329 VanDerWaalsContact C-N 3.33Å; N327-A329 PolarHBondContact O-N 2.81Å; N327-S330 PolarHBondContact O-N 3.48Å; N327-S330 PolarHBondContact O-OG 3.14Å; N327-S330 VanDerWaalsContact O-OG 3.09Å; N327-F331 VanDerWaalsContact O-CB 3.27Å; N327-F331 WeakPolarHBondContact O-CB 3.33Å; N327-F331 PolarHBondContact O-N 3.16Å
328R80.8Confident81.7Confident57 Ų5746.8 Ų46.822%0.21527%0.273CS..Hα-helixtrans-58.7-45.9172.7-74.5-178.688.892.6-5.7110.2E55 S58 I59 L322 G324 E326 G332E55-R328 IonicContact OE2-NH1 2.66Å; E55-R328 IonicContact OE2-NH2 2.77Å; E55-R328 PolarHBondContact OE2-NH2 3.45Å; S58-R328 PolarHBondContact OG-NH2 3.25Å; I59-R328 HydrophobicContact CD1-CG 4.18Å; I59-R328 HydrophobicContact CG1-CG 4.28Å; I59-R328 VanDerWaalsContact CG1-NH2 3.3Å; I59-R328 HydrophobicContact CG2-CB 4.27Å; I59-R328 WeakPolarHBondContact CG2-O 3.32Å; L322-R328 WeakPolarHBondContact O-CD 3.35Å; L322-R328 VanDerWaalsContact O-CG 3.26Å; L322-R328 WeakPolarHBondContact O-CG 3.48Å; L322-R328 PolarHBondContact O-NH1 2.91Å; G324-R328 WeakPolarHBondContact O-CG 3.31Å; G324-R328 PolarHBondContact O-N 2.9Å; E326-R328 PolarHBondContact O-N 2.7Å; R328-G332 PolarHBondContact O-N 3.18Å
329A82.2Confident82.1Confident46 Ų4645.9 Ų45.938%0.3827%0.268SS..Hα-helixtrans-67.2-40.8-178.600000112.8A325 E326 N327 A333A325-A329 WeakPolarHBondContact O-CB 3.26Å; A325-A329 PolarHBondContact O-N 3.03Å; A325-A329 VanDerWaalsContact O-N 3.14Å; E326-A329 PolarHBondContact O-N 2.72Å; E326-A329 VanDerWaalsContact O-N 3.14Å; N327-A329 VanDerWaalsContact C-N 3.33Å; N327-A329 PolarHBondContact O-N 2.81Å; A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.37Å; A329-A333 PolarHBondContact O-N 2.98Å
330S83.9Confident82.5Confident69 Ų6945.2 Ų45.248%0.48326%0.263SS..Hα-helixtrans-69.5-43.4177.359.10000112.4E326 N327 A333 T334E326-S330 PolarHBondContact O-N 2.64Å; E326-S330 PolarHBondContact O-OG 3.42Å; N327-S330 PolarHBondContact O-N 3.48Å; N327-S330 PolarHBondContact O-OG 3.14Å; N327-S330 VanDerWaalsContact O-OG 3.09Å; S330-A333 PolarHBondContact O-N 2.97Å; S330-T334 PolarHBondContact O-N 3.39Å; S330-T334 PolarHBondContact O-OG1 2.84Å
331F87.4Confident82.9Confident8 Ų841.6 Ų41.64%0.03525%0.247CC..Hα-helixtrans-62.7-50.3176.1167-123.7000111.4I56 I59 V313 L317 P319 N327 A333 T334 M335I56-F331 HydrophobicContact CD1-CE1 3.66Å; I56-F331 HydrophobicContact CD1-CZ 3.97Å; I56-F331 HydrophobicContact CG2-CE1 3.97Å; I56-F331 HydrophobicContact CG2-CZ 3.84Å; I59-F331 HydrophobicContact CD1-CD1 4.16Å; I59-F331 HydrophobicContact CD1-CE1 4.2Å; I59-F331 HydrophobicContact CG2-CD1 3.94Å; I59-F331 HydrophobicContact CG2-CE1 4.44Å; V313-F331 HydrophobicContact CG1-CE2 3.98Å; V313-F331 HydrophobicContact CG1-CZ 4.04Å; L317-F331 HydrophobicContact CB-CD2 4.31Å; L317-F331 HydrophobicContact CB-CE2 4.13Å; L317-F331 WeakPolarHBondContact O-CD2 3.24Å; L317-F331 WeakPolarHBondContact O-CE2 3.5Å; P319-F331 HydrophobicContact CB-CB 4.38Å; P319-F331 HydrophobicContact CG-CB 4.16Å; P319-F331 HydrophobicContact CG-CD1 3.88Å; P319-F331 HydrophobicContact CG-CG 4.04Å; N327-F331 VanDerWaalsContact O-CB 3.27Å; N327-F331 WeakPolarHBondContact O-CB 3.33Å; N327-F331 PolarHBondContact O-N 3.16Å; F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 3.49Å; F331-T334 PolarHBondContact O-N 2.92Å; F331-T334 VanDerWaalsContact O-N 3.15Å; F331-M335 HydrophobicContact CD2-CG 3.87Å; F331-M335 HydrophobicContact CE1-CG 4.32Å; F331-M335 HydrophobicContact CE2-CG 3.49Å; F331-M335 VanDerWaalsContact CE2-CG 3.49Å; F331-M335 HydrophobicContact CE2-SD 3.57Å; F331-M335 VanDerWaalsContact CE2-SD 3.57Å; F331-M335 HydrophobicContact CG-CG 4.45Å; F331-M335 HydrophobicContact CZ-CE 4.16Å; F331-M335 HydrophobicContact CZ-CG 3.73Å; F331-M335 HydrophobicContact CZ-SD 3.65Å; F331-M335 VanDerWaalsContact O-CG 3.27Å; F331-M335 WeakPolarHBondContact O-CG 3.35Å; F331-M335 PolarHBondContact O-N 3.36Å
332G86.4Confident83.5Confident0 Ų042 Ų420%025%0.248CC..Hα-helixtrans-64.7-30.6179.400000114.1S63 R328 F336S63-G332 VanDerWaalsContact OG-CA 3.3Å; S63-G332 WeakPolarHBondContact OG-CA 3.23Å; R328-G332 PolarHBondContact O-N 3.18Å; G332-F336 VanDerWaalsContact O-CB 3.23Å; G332-F336 WeakPolarHBondContact O-CB 3.28Å; G332-F336 PolarHBondContact O-N 3.49Å
333A86.5Confident84.2Confident13 Ų1341.9 Ų41.911%0.10725%0.248CC..Hα-helixtrans-67.1-41.7171.100000112.3A329 S330 F331 F336 N337A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.37Å; A329-A333 PolarHBondContact O-N 2.98Å; S330-A333 PolarHBondContact O-N 2.97Å; F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 3.49Å; A333-F336 PolarHBondContact O-N 3.4Å; A333-N337 PolarHBondContact O-N 3.22Å; A333-N337 PolarHBondContact O-ND2 3.49Å
334T87Confident84.8Confident58 Ų5840 Ų4036%0.35624%0.236SC..Hα-helixtrans-65.1-45.5175.4-58.90000111.8L317 S330 F331 F336 N337 E338L317-T334 HydrophobicContact CD1-CG2 4.43Å; L317-T334 HydrophobicContact CD2-CG2 3.75Å; S330-T334 PolarHBondContact O-N 3.39Å; S330-T334 PolarHBondContact O-OG1 2.84Å; F331-T334 PolarHBondContact O-N 2.92Å; F331-T334 VanDerWaalsContact O-N 3.15Å; T334-F336 VanDerWaalsContact C-N 3.31Å; T334-F336 PolarHBondContact O-N 2.8Å; T334-N337 WeakPolarHBondContact O-CB 3.5Å; T334-N337 PolarHBondContact O-N 2.85Å; T334-N337 VanDerWaalsContact O-N 3.1Å; T334-E338 PolarHBondContact O-N 3Å
335M88.2Confident85.2Confident1 Ų143.2 Ų43.21%0.00525%0.247CC..Hα-helixtrans-55-46.1172.6-67.6-87.3-66.900111.6I56 L60 L237 Y311 V313 F331 N337 E338 I339I56-M335 HydrophobicContact CG2-CE 3.51Å; L60-M335 HydrophobicContact CD1-CB 4.09Å; L237-M335 HydrophobicContact CD1-CE 3.97Å; Y311-M335 HydrophobicContact CE1-CE 3.88Å; Y311-M335 HydrophobicContact CE1-SD 3.89Å; V313-M335 HydrophobicContact CB-SD 4.35Å; V313-M335 HydrophobicContact CG1-SD 3.77Å; V313-M335 HydrophobicContact CG2-CE 3.68Å; V313-M335 HydrophobicContact CG2-SD 3.72Å; F331-M335 HydrophobicContact CD2-CG 3.87Å; F331-M335 HydrophobicContact CE1-CG 4.32Å; F331-M335 HydrophobicContact CE2-CG 3.49Å; F331-M335 VanDerWaalsContact CE2-CG 3.49Å; F331-M335 HydrophobicContact CE2-SD 3.57Å; F331-M335 VanDerWaalsContact CE2-SD 3.57Å; F331-M335 HydrophobicContact CG-CG 4.45Å; F331-M335 HydrophobicContact CZ-CE 4.16Å; F331-M335 HydrophobicContact CZ-CG 3.73Å; F331-M335 HydrophobicContact CZ-SD 3.65Å; F331-M335 VanDerWaalsContact O-CG 3.27Å; F331-M335 WeakPolarHBondContact O-CG 3.35Å; F331-M335 PolarHBondContact O-N 3.36Å; M335-N337 VanDerWaalsContact C-N 3.3Å; M335-N337 PolarHBondContact O-N 2.93Å; M335-E338 PolarHBondContact O-N 3.09Å; M335-I339 WeakPolarHBondContact O-CB 3.19Å; M335-I339 WeakPolarHBondContact O-CG1 3.41Å; M335-I339 PolarHBondContact O-N 3.28Å
336F90.5Very high85.6Confident3 Ų339.6 Ų39.61%0.01322%0.216CC..Hα-helixtrans-63.8-34177.6178.2-132000112.6L60 V64 R69 F72 G332 A333 T334 S340L60-F336 HydrophobicContact CD1-CB 3.85Å; V64-F336 HydrophobicContact CB-CE2 4.5Å; V64-F336 HydrophobicContact CG1-CE2 4.2Å; V64-F336 HydrophobicContact CG1-CZ 4.35Å; V64-F336 HydrophobicContact CG2-CD2 3.62Å; V64-F336 HydrophobicContact CG2-CE2 3.75Å; V64-F336 HydrophobicContact CG2-CG 4.22Å; V64-F336 HydrophobicContact CG2-CZ 4.43Å; R69-F336 HydrophobicContact CB-CE1 4Å; R69-F336 HydrophobicContact CB-CZ 3.95Å; R69-F336 HydrophobicContact CG-CE1 3.97Å; R69-F336 HydrophobicContact CG-CZ 4.2Å; F72-F336 HydrophobicContact CB-CE2 4.1Å; F72-F336 HydrophobicContact CB-CZ 3.94Å; F72-F336 AromaticContact CD1-CE2 3.73Å; F72-F336 HydrophobicContact CD1-CE2 3.73Å; F72-F336 HydrophobicContact CD1-CZ 4.25Å; F72-F336 HydrophobicContact CD2-CE2 4Å; F72-F336 AromaticContact CD2-CZ 3.7Å; F72-F336 HydrophobicContact CD2-CZ 3.7Å; F72-F336 HydrophobicContact CE1-CE2 4.14Å; F72-F336 HydrophobicContact CE2-CE2 4.38Å; F72-F336 HydrophobicContact CE2-CZ 4.27Å; F72-F336 AromaticContact CG-CE2 3.65Å; F72-F336 HydrophobicContact CG-CE2 3.65Å; F72-F336 AromaticContact CG-CZ 3.68Å; F72-F336 HydrophobicContact CG-CZ 3.68Å; F72-F336 HydrophobicContact CZ-CE2 4.45Å; G332-F336 VanDerWaalsContact O-CB 3.23Å; G332-F336 WeakPolarHBondContact O-CB 3.28Å; G332-F336 PolarHBondContact O-N 3.49Å; A333-F336 PolarHBondContact O-N 3.4Å; T334-F336 VanDerWaalsContact C-N 3.31Å; T334-F336 PolarHBondContact O-N 2.8Å; F336-S340 WeakPolarHBondContact CE2-OG 3.37Å; F336-S340 WeakPolarHBondContact O-CB 3.44Å; F336-S340 PolarHBondContact O-N 3.47Å; F336-S340 PolarHBondContact O-OG 3.38Å
337N87.6Confident85.8Confident52 Ų5232.7 Ų32.728%0.27818%0.184SC..Hα-helixtrans-67.7-49.1175.5-70.9-28.9000112.1R69 A333 T334 M335 I339 S340 T341R69-N337 VanDerWaalsContact CZ-OD1 3.25Å; R69-N337 PolarHBondContact NH1-OD1 3.11Å; R69-N337 PolarHBondContact NH2-OD1 3.18Å; A333-N337 PolarHBondContact O-N 3.22Å; A333-N337 PolarHBondContact O-ND2 3.49Å; T334-N337 WeakPolarHBondContact O-CB 3.5Å; T334-N337 PolarHBondContact O-N 2.85Å; T334-N337 VanDerWaalsContact O-N 3.1Å; M335-N337 VanDerWaalsContact C-N 3.3Å; M335-N337 PolarHBondContact O-N 2.93Å; N337-I339 PolarHBondContact O-N 3.43Å; N337-S340 PolarHBondContact O-N 2.74Å; N337-T341 PolarHBondContact O-N 2.96Å; N337-T341 PolarHBondContact O-OG1 2.95Å
338E89.7Confident85.9Confident44 Ų4431.5 Ų31.521%0.20618%0.178CC..Hα-helixtrans-60.8-46.6177.8-66.7-167.8147.800111.7Y311 K314 T334 M335 S340 T341 I342Y311-E338 HydrophobicContact CE2-CB 3.9Å; Y311-E338 WeakPolarHBondContact CE2-OE2 3.43Å; Y311-E338 PolarHBondContact OH-OE2 2.96Å; K314-E338 IonicContact NZ-OE1 2.84Å; K314-E338 PolarHBondContact NZ-OE1 2.92Å; K314-E338 IonicContact NZ-OE2 3.68Å; T334-E338 PolarHBondContact O-N 3Å; M335-E338 PolarHBondContact O-N 3.09Å; E338-S340 VanDerWaalsContact C-N 3.33Å; E338-S340 PolarHBondContact O-N 2.76Å; E338-T341 WeakPolarHBondContact CA-OG1 3.47Å; E338-T341 PolarHBondContact O-N 3.45Å; E338-T341 PolarHBondContact O-OG1 2.81Å; E338-I342 WeakPolarHBondContact O-CG1 3.49Å; E338-I342 PolarHBondContact O-N 2.97Å
339I89Confident86Confident3 Ų331.5 Ų31.52%0.01518%0.18CC..Hα-helixtrans-64.8-36.4177.7-67.1170.4000111.6L60 I235 Y311 M335 N337 I342 L343L60-I339 HydrophobicContact CD1-CD1 4.16Å; L60-I339 HydrophobicContact CD2-CD1 3.47Å; L60-I339 VanDerWaalsContact CD2-CD1 3.47Å; L60-I339 HydrophobicContact CG-CD1 4.47Å; I235-I339 HydrophobicContact CD1-CG2 4.5Å; Y311-I339 HydrophobicContact CD1-CD1 3.94Å; Y311-I339 HydrophobicContact CD1-CG1 4.05Å; Y311-I339 HydrophobicContact CD2-CG1 4.33Å; Y311-I339 HydrophobicContact CE1-CD1 3.85Å; Y311-I339 HydrophobicContact CE1-CG1 3.97Å; Y311-I339 HydrophobicContact CE2-CG1 4.29Å; Y311-I339 HydrophobicContact CG-CG1 4.23Å; M335-I339 WeakPolarHBondContact O-CB 3.19Å; M335-I339 WeakPolarHBondContact O-CG1 3.41Å; M335-I339 PolarHBondContact O-N 3.28Å; N337-I339 PolarHBondContact O-N 3.43Å; I339-I342 PolarHBondContact O-N 3.4Å; I339-L343 HydrophobicContact CG2-CD1 3.99Å; I339-L343 WeakPolarHBondContact O-CG 3.43Å; I339-L343 PolarHBondContact O-N 3.46Å; I339-L343 VanDerWaalsContact O-N 3.07Å
340S88.1Confident86.1Confident0 Ų030.1 Ų30.10%017%0.165CC..Hα-helixtrans-64.1-43.2174.8-62.40000111.7R69 F72 F336 N337 E338 L343 Y344R69-S340 PolarHBondContact NH1-OG 2.78Å; F72-S340 WeakPolarHBondContact CZ-OG 3.45Å; F336-S340 WeakPolarHBondContact CE2-OG 3.37Å; F336-S340 WeakPolarHBondContact O-CB 3.44Å; F336-S340 PolarHBondContact O-N 3.47Å; F336-S340 PolarHBondContact O-OG 3.38Å; N337-S340 PolarHBondContact O-N 2.74Å; E338-S340 VanDerWaalsContact C-N 3.33Å; E338-S340 PolarHBondContact O-N 2.76Å; S340-L343 PolarHBondContact O-N 3.36Å; S340-Y344 WeakPolarHBondContact O-CD1 3.41Å; S340-Y344 WeakPolarHBondContact O-CD2 3.45Å; S340-Y344 VanDerWaalsContact O-CG 3.23Å; S340-Y344 PolarHBondContact O-N 3.28Å
341T84.5Confident85.8Confident69 Ų6931.7 Ų31.742%0.42316%0.16SC..Hα-helixtrans-62.8-44.4176.5450000112.3N337 E338 L343 Y344 D345N337-T341 PolarHBondContact O-N 2.96Å; N337-T341 PolarHBondContact O-OG1 2.95Å; E338-T341 WeakPolarHBondContact CA-OG1 3.47Å; E338-T341 PolarHBondContact O-N 3.45Å; E338-T341 PolarHBondContact O-OG1 2.81Å; T341-L343 PolarHBondContact O-N 3.1Å; T341-Y344 PolarHBondContact O-N 3.07Å; T341-Y344 VanDerWaalsContact O-N 3.08Å; T341-D345 PolarHBondContact O-N 3.36Å
342I86.8Confident85.3Confident56 Ų5632.3 Ų32.329%0.28716%0.163SC..Hα-helixtrans-57.8-38.6175.6-67.8164.2000111.2L309 Y311 E338 I339 L346L309-I342 HydrophobicContact CD1-CG2 3.88Å; Y311-I342 HydrophobicContact CD2-CD1 3.74Å; Y311-I342 HydrophobicContact CE2-CD1 4.23Å; E338-I342 WeakPolarHBondContact O-CG1 3.49Å; E338-I342 PolarHBondContact O-N 2.97Å; I339-I342 PolarHBondContact O-N 3.4Å; I342-L346 VanDerWaalsContact O-CB 3.3Å; I342-L346 WeakPolarHBondContact O-CB 3.39Å; I342-L346 PolarHBondContact O-N 3.1Å
343L86.6Confident84.9Confident1 Ų133.4 Ų33.41%0.00517%0.167CC..Hα-helixtrans-75.9-25.9178.4-70.9170.4000113.8S44 F72 Y209 L211 I235 I339 S340 T341 L346 I347S44-L343 WeakPolarHBondContact OG-CD2 3.48Å; F72-L343 HydrophobicContact CE1-CD1 4.04Å; Y209-L343 HydrophobicContact CD1-CB 4.47Å; L211-L343 HydrophobicContact CD2-CD1 3.85Å; I235-L343 HydrophobicContact CD1-CD2 4.35Å; I339-L343 HydrophobicContact CG2-CD1 3.99Å; I339-L343 WeakPolarHBondContact O-CG 3.43Å; I339-L343 PolarHBondContact O-N 3.46Å; I339-L343 VanDerWaalsContact O-N 3.07Å; S340-L343 PolarHBondContact O-N 3.36Å; T341-L343 PolarHBondContact O-N 3.1Å; L343-L346 HydrophobicContact CD2-CD2 4.45Å; L343-I347 WeakPolarHBondContact O-CG1 3.45Å; L343-I347 PolarHBondContact O-N 2.87Å
344Y85.9Confident84.6Confident25 Ų2538.1 Ų38.110%0.09819%0.185CC..Hα-helixtrans-70.9-49.3170-59.3-26.2000110.6R69 F72 P202 Y209 S340 T341 L346 I347 D348R69-Y344 VanDerWaalsContact CD-OH 3.28Å; R69-Y344 WeakPolarHBondContact CD-OH 3.28Å; R69-Y344 PolarHBondContact NE-OH 3.2Å; F72-Y344 HydrophobicContact CE2-CE1 4.14Å; F72-Y344 HydrophobicContact CZ-CE1 4.07Å; P202-Y344 HydrophobicContact CG-CD1 3.78Å; P202-Y344 HydrophobicContact CG-CD2 4.15Å; P202-Y344 HydrophobicContact CG-CE1 4.15Å; P202-Y344 HydrophobicContact CG-CE2 4.5Å; P202-Y344 HydrophobicContact CG-CG 3.78Å; Y209-Y344 HydrophobicContact CE1-CD1 4.22Å; Y209-Y344 HydrophobicContact CE1-CE1 4.4Å; Y209-Y344 HydrophobicContact CE2-CE1 4.06Å; Y209-Y344 AromaticContact CZ-CD1 3.9Å; Y209-Y344 AromaticContact CZ-CE1 3.87Å; S340-Y344 WeakPolarHBondContact O-CD1 3.41Å; S340-Y344 WeakPolarHBondContact O-CD2 3.45Å; S340-Y344 VanDerWaalsContact O-CG 3.23Å; S340-Y344 PolarHBondContact O-N 3.28Å; T341-Y344 PolarHBondContact O-N 3.07Å; T341-Y344 VanDerWaalsContact O-N 3.08Å; Y344-L346 VanDerWaalsContact C-N 3.29Å; Y344-L346 PolarHBondContact O-N 2.77Å; Y344-I347 PolarHBondContact O-N 3.18Å; Y344-I347 VanDerWaalsContact O-N 3.16Å; Y344-D348 PolarHBondContact O-N 2.97Å
345D84.4Confident84.1Confident94 Ų9437.2 Ų37.250%0.50318%0.178SC..Hα-helixtrans-58.4-41.1176.8-65.9-13.9000111.2T341 I347 D348 F349T341-D345 PolarHBondContact O-N 3.36Å; D345-I347 VanDerWaalsContact C-N 3.33Å; D345-I347 PolarHBondContact O-N 3.49Å; D345-D348 CarbonylContact O-C 3.56Å; D345-D348 WeakPolarHBondContact O-CA 3.25Å; D345-D348 VanDerWaalsContact O-CB 3.25Å; D345-D348 WeakPolarHBondContact O-CB 3.48Å; D345-D348 PolarHBondContact O-N 3.27Å; D345-D348 VanDerWaalsContact O-N 3.09Å; D345-F349 HydrophobicContact CB-CD2 4.49Å; D345-F349 HydrophobicContact CB-CE2 4.15Å; D345-F349 WeakPolarHBondContact O-CD2 3.39Å; D345-F349 PolarHBondContact O-N 3.11Å
346L85.1Confident83.4Confident6 Ų637.2 Ų37.23%0.03118%0.178CC..Hα-helixtrans-61.3-39.5177.8-170.771.5000113A307 L309 I342 L343 Y344 D348 R350 F893 L897A307-L346 HydrophobicContact CB-CD1 3.65Å; A307-L346 HydrophobicContact CB-CD2 4.32Å; L309-L346 HydrophobicContact CD1-CD1 4.36Å; L309-L346 HydrophobicContact CD1-CD2 4.28Å; I342-L346 VanDerWaalsContact O-CB 3.3Å; I342-L346 WeakPolarHBondContact O-CB 3.39Å; I342-L346 PolarHBondContact O-N 3.1Å; L343-L346 HydrophobicContact CD2-CD2 4.45Å; Y344-L346 VanDerWaalsContact C-N 3.29Å; Y344-L346 PolarHBondContact O-N 2.77Å; L346-D348 VanDerWaalsContact C-N 3.31Å; L346-R350 WeakPolarHBondContact O-CB 3.37Å; L346-R350 PolarHBondContact O-N 3.22Å; L346-F893 HydrophobicContact CD1-CE1 3.73Å; L346-F893 HydrophobicContact CD1-CZ 3.89Å; L346-F893 HydrophobicContact CG-CE1 4.15Å; L346-F893 HydrophobicContact CG-CZ 4.36Å; L346-L897 HydrophobicContact CD1-CD1 4.11Å
347I83.2Confident82.6Confident18 Ų1839.3 Ų39.39%0.09219%0.19CC..Hα-helixtrans-71.8-32.2175.8-65.8-59.8000110.9N204 I206 Y209 L343 Y344 D345 R350 R351N204-I347 HydrophobicContact CB-CG2 4.4Å; N204-I347 WeakPolarHBondContact ND2-CG2 3.39Å; I206-I347 HydrophobicContact CD1-CB 4.09Å; I206-I347 HydrophobicContact CD1-CD1 3.55Å; I206-I347 HydrophobicContact CD1-CG1 3.46Å; I206-I347 VanDerWaalsContact CD1-CG1 3.46Å; I206-I347 HydrophobicContact CD1-CG2 3.56Å; Y209-I347 HydrophobicContact CE1-CG1 4.25Å; L343-I347 WeakPolarHBondContact O-CG1 3.45Å; L343-I347 PolarHBondContact O-N 2.87Å; Y344-I347 PolarHBondContact O-N 3.18Å; Y344-I347 VanDerWaalsContact O-N 3.16Å; D345-I347 VanDerWaalsContact C-N 3.33Å; D345-I347 PolarHBondContact O-N 3.49Å; I347-R350 PolarHBondContact O-N 3.06Å; I347-R351 PolarHBondContact O-N 3.09Å
348D81Confident82Confident39 Ų3943.7 Ų43.721%0.20921%0.208CC..Hα-helixtrans-60.4-57.1170.1-151.391.8000110.8Y344 D345 L346 R350 R351 Q352Y344-D348 PolarHBondContact O-N 2.97Å; D345-D348 CarbonylContact O-C 3.56Å; D345-D348 WeakPolarHBondContact O-CA 3.25Å; D345-D348 VanDerWaalsContact O-CB 3.25Å; D345-D348 WeakPolarHBondContact O-CB 3.48Å; D345-D348 PolarHBondContact O-N 3.27Å; D345-D348 VanDerWaalsContact O-N 3.09Å; L346-D348 VanDerWaalsContact C-N 3.31Å; D348-R350 PolarHBondContact O-N 3.44Å; D348-R350 VanDerWaalsContact O-N 3.09Å; D348-R351 VanDerWaalsContact CG-NH1 3.27Å; D348-R351 VanDerWaalsContact CG-NH2 3.25Å; D348-R351 CarbonylContact O-C 3.59Å; D348-R351 WeakPolarHBondContact O-CA 3.15Å; D348-R351 VanDerWaalsContact O-CB 3.23Å; D348-R351 WeakPolarHBondContact O-CB 3.42Å; D348-R351 PolarHBondContact O-N 3.33Å; D348-R351 IonicContact OD1-CZ 2.7Å; D348-R351 IonicContact OD1-NH1 2.7Å; D348-R351 PolarHBondContact OD1-NH1 3.42Å; D348-R351 IonicContact OD1-NH2 3.5Å; D348-R351 PolarHBondContact OD1-NH2 3.41Å; D348-R351 IonicContact OD2-CZ 3.26Å; D348-R351 IonicContact OD2-NH1 3.74Å; D348-R351 IonicContact OD2-NH2 3.09Å; D348-R351 PolarHBondContact OD2-NH2 2.98Å; D348-R351 VanDerWaalsContact OD2-NH2 3.07Å; D348-Q352 WeakPolarHBondContact O-CG 3.11Å; D348-Q352 PolarHBondContact O-N 3.06Å; D348-Q352 PolarHBondContact OD2-NE2 2.76Å
349F82.4Confident81.2Confident56 Ų5643.8 Ų43.825%0.24621%0.208CC..Hα-helixtrans-54.7-33.1174.5-65.5-59.2000113D345 R351 Q352 W353 F893 L897 E901D345-F349 HydrophobicContact CB-CD2 4.49Å; D345-F349 HydrophobicContact CB-CE2 4.15Å; D345-F349 WeakPolarHBondContact O-CD2 3.39Å; D345-F349 PolarHBondContact O-N 3.11Å; F349-R351 VanDerWaalsContact C-N 3.34Å; F349-Q352 WeakPolarHBondContact O-CB 3.26Å; F349-Q352 PolarHBondContact O-N 3.35Å; F349-W353 WeakPolarHBondContact O-CB 3.39Å; F349-W353 PolarHBondContact O-N 2.79Å; F349-F893 HydrophobicContact CB-CE2 4.03Å; F349-F893 HydrophobicContact CB-CZ 4.02Å; F349-F893 WeakPolarHBondContact O-CE2 3.47Å; F349-L897 HydrophobicContact CB-CD2 3.69Å; F349-L897 HydrophobicContact CD1-CD2 4.36Å; F349-L897 HydrophobicContact CD2-CD2 4.15Å; F349-L897 HydrophobicContact CG-CD2 3.83Å; F349-E901 HydrophobicContact CD1-CG 3.74Å; F349-E901 HydrophobicContact CE1-CG 3.57Å
350R83.5Confident80.2Confident18 Ų1844.3 Ų44.37%0.06821%0.211CC..Hα-helixtrans-73.2-22.9176-156.9174.4-176.986.8-14.5113.1H232 N305 L346 I347 D348 W353 K354 F893H232-R350 VanDerWaalsContact CD2-CD 3.48Å; H232-R350 WeakPolarHBondContact CD2-CD 3.46Å; H232-R350 PolarHBondContact CD2-NE 3.35Å; H232-R350 VanDerWaalsContact CD2-NE 3.28Å; H232-R350 PolarHBondContact NE2-NE 3.07Å; N305-R350 PolarHBondContact O-NH1 2.65Å; L346-R350 WeakPolarHBondContact O-CB 3.37Å; L346-R350 PolarHBondContact O-N 3.22Å; I347-R350 PolarHBondContact O-N 3.06Å; D348-R350 PolarHBondContact O-N 3.44Å; D348-R350 VanDerWaalsContact O-N 3.09Å; R350-W353 HydrophobicContact CG-CE3 4.28Å; R350-K354 WeakPolarHBondContact O-CG 3.47Å; R350-F893 HydrophobicContact CB-CE1 4.23Å; R350-F893 HydrophobicContact CB-CE2 3.94Å; R350-F893 HydrophobicContact CB-CZ 3.73Å; R350-F893 HydrophobicContact CG-CD1 4.5Å; R350-F893 HydrophobicContact CG-CD2 4.46Å; R350-F893 HydrophobicContact CG-CE1 4.28Å; R350-F893 HydrophobicContact CG-CE2 4.3Å; R350-F893 HydrophobicContact CG-CZ 4.19Å
351R78Confident79.3Confident101 Ų10149.1 Ų49.138%0.38123%0.232SC..Hα-helixtrans-73-46.6163.3-177.2-178.673.6-104.67.6110.3I347 D348 F349 W353 K354 N355 E912I347-R351 PolarHBondContact O-N 3.09Å; D348-R351 VanDerWaalsContact CG-NH1 3.27Å; D348-R351 VanDerWaalsContact CG-NH2 3.25Å; D348-R351 CarbonylContact O-C 3.59Å; D348-R351 WeakPolarHBondContact O-CA 3.15Å; D348-R351 VanDerWaalsContact O-CB 3.23Å; D348-R351 WeakPolarHBondContact O-CB 3.42Å; D348-R351 PolarHBondContact O-N 3.33Å; D348-R351 IonicContact OD1-CZ 2.7Å; D348-R351 IonicContact OD1-NH1 2.7Å; D348-R351 PolarHBondContact OD1-NH1 3.42Å; D348-R351 IonicContact OD1-NH2 3.5Å; D348-R351 PolarHBondContact OD1-NH2 3.41Å; D348-R351 IonicContact OD2-CZ 3.26Å; D348-R351 IonicContact OD2-NH1 3.74Å; D348-R351 IonicContact OD2-NH2 3.09Å; D348-R351 PolarHBondContact OD2-NH2 2.98Å; D348-R351 VanDerWaalsContact OD2-NH2 3.07Å; F349-R351 VanDerWaalsContact C-N 3.34Å; R351-W353 PolarHBondContact O-N 2.86Å; R351-K354 PolarHBondContact O-N 2.92Å; R351-N355 PolarHBondContact O-N 2.93Å; R351-E912 IonicContact NH2-OE1 2.93Å; R351-E912 PolarHBondContact NH2-OE1 2.74Å
352Q76.2Confident78.4Confident22 Ų2247.6 Ų47.610%0.10322%0.223CC..Hα-helixtrans-59.9-42.8-179.9-59.3-17822.900112.3D348 F349 N355 Y356 Y896 T908D348-Q352 WeakPolarHBondContact O-CG 3.11Å; D348-Q352 PolarHBondContact O-N 3.06Å; D348-Q352 PolarHBondContact OD2-NE2 2.76Å; F349-Q352 WeakPolarHBondContact O-CB 3.26Å; F349-Q352 PolarHBondContact O-N 3.35Å; Q352-N355 PolarHBondContact O-N 2.86Å; Q352-Y356 WeakPolarHBondContact O-CB 3.02Å; Q352-Y356 PolarHBondContact O-N 2.8Å; Q352-Y896 WeakPolarHBondContact CB-OH 3.19Å; Q352-T908 HydrophobicContact CB-CG2 3.75Å; Q352-T908 VanDerWaalsContact CD-CG2 3.47Å; Q352-T908 HydrophobicContact CG-CG2 3.39Å
353W79.5Confident77.1Confident22 Ų2247.8 Ų47.88%0.08323%0.226CC..Hα-helixtrans-61.1-44.6174.717258.6000112.7N305 F349 R350 R351 Y356 L357 I891 F893 Y896N305-W353 HydrophobicContact CB-CH2 4.48Å; N305-W353 WeakPolarHBondContact OD1-CH2 3.31Å; N305-W353 VanDerWaalsContact OD1-CZ2 3.23Å; N305-W353 WeakPolarHBondContact OD1-CZ2 3.46Å; F349-W353 WeakPolarHBondContact O-CB 3.39Å; F349-W353 PolarHBondContact O-N 2.79Å; R350-W353 HydrophobicContact CG-CE3 4.28Å; R351-W353 PolarHBondContact O-N 2.86Å; W353-Y356 WeakPolarHBondContact O-CB 3.32Å; W353-Y356 PolarHBondContact O-N 2.87Å; W353-L357 HydrophobicContact CD2-CD1 4.22Å; W353-L357 HydrophobicContact CH2-CD1 4.44Å; W353-L357 HydrophobicContact CZ2-CD1 3.76Å; W353-L357 WeakPolarHBondContact O-CG 3.35Å; W353-L357 PolarHBondContact O-N 3.11Å; W353-I891 PolarHBondContact NE1-O 3.09Å; W353-F893 HydrophobicContact CB-CD2 3.74Å; W353-F893 HydrophobicContact CB-CE2 4.09Å; W353-F893 HydrophobicContact CD2-CB 3.92Å; W353-F893 AromaticContact CD2-CD2 3.83Å; W353-F893 HydrophobicContact CD2-CD2 3.83Å; W353-F893 HydrophobicContact CD2-CG 4.29Å; W353-F893 HydrophobicContact CE3-CB 3.93Å; W353-F893 AromaticContact CE3-CD2 3.92Å; W353-F893 HydrophobicContact CE3-CD2 3.92Å; W353-F893 HydrophobicContact CE3-CG 4.17Å; W353-F893 AromaticContact CG-CD2 3.77Å; W353-F893 HydrophobicContact CG-CD2 3.77Å; W353-F893 HydrophobicContact CH2-CB 4.2Å; W353-F893 HydrophobicContact CZ2-CB 4.17Å; W353-F893 HydrophobicContact CZ3-CB 4.07Å; W353-Y896 HydrophobicContact CB-CD1 3.68Å; W353-Y896 HydrophobicContact CB-CD2 4.37Å; W353-Y896 HydrophobicContact CB-CE1 3.62Å; W353-Y896 HydrophobicContact CB-CE2 4.29Å; W353-Y896 HydrophobicContact CB-CG 4.07Å; W353-Y896 AromaticContact CD1-CD1 3.88Å; W353-Y896 AromaticContact CD1-CD2 3.66Å; W353-Y896 AromaticContact CD1-CG 3.4Å; W353-Y896 HydrophobicContact CG-CD1 4.02Å; W353-Y896 HydrophobicContact CG-CD2 4.4Å; W353-Y896 HydrophobicContact CG-CE1 4.43Å; W353-Y896 HydrophobicContact CG-CG 4Å; W353-Y896 PolarHBondContact N-OH 2.93Å
354K80.3Confident75.7Confident112 Ų11254.5 Ų54.549%0.48726%0.257SS..Hα-helixtrans-65.3-43.9176.5-72.6178.6178.4-173.80111.8R350 R351 Y356 L357 E358R350-K354 WeakPolarHBondContact O-CG 3.47Å; R351-K354 PolarHBondContact O-N 2.92Å; K354-Y356 VanDerWaalsContact C-N 3.29Å; K354-Y356 PolarHBondContact O-N 2.76Å; K354-L357 PolarHBondContact O-N 3.04Å; K354-E358 WeakPolarHBondContact O-CG 3.49Å; K354-E358 PolarHBondContact O-N 2.82Å
355N75Confident73.8Confident40 Ų4057.4 Ų57.421%0.21427%0.274CS..Hα-helixtrans-61.8-37.6174.6-170.345000112R351 Q352 E358 H359 W907R351-N355 PolarHBondContact O-N 2.93Å; Q352-N355 PolarHBondContact O-N 2.86Å; N355-E358 PolarHBondContact O-N 2.87Å; N355-H359 PolarHBondContact O-N 2.93Å; N355-H359 PolarHBondContact O-ND1 3.49Å; N355-H359 PolarHBondContact OD1-CE1 2.81Å; N355-H359 PolarHBondContact OD1-ND1 3.41Å; N355-W907 WeakPolarHBondContact ND2-CH2 3.11Å
356Y74.1Confident71.8Confident0 Ų058.9 Ų58.90%029%0.289CS..Hα-helixtrans-62.3-50.8172.7169.1-112.8000111.3Q352 W353 K354 E358 H359 I360 H887 I891 Y896 I900 I904 F1081Q352-Y356 WeakPolarHBondContact O-CB 3.02Å; Q352-Y356 PolarHBondContact O-N 2.8Å; W353-Y356 WeakPolarHBondContact O-CB 3.32Å; W353-Y356 PolarHBondContact O-N 2.87Å; K354-Y356 VanDerWaalsContact C-N 3.29Å; K354-Y356 PolarHBondContact O-N 2.76Å; Y356-E358 VanDerWaalsContact C-N 3.29Å; Y356-E358 PolarHBondContact O-N 2.93Å; Y356-H359 CarbonylContact O-C 3.58Å; Y356-H359 PolarHBondContact O-N 2.99Å; Y356-I360 HydrophobicContact CD1-CD1 3.75Å; Y356-I360 HydrophobicContact CD2-CD1 4.21Å; Y356-I360 HydrophobicContact CD2-CG1 4.18Å; Y356-I360 HydrophobicContact CE1-CD1 3.31Å; Y356-I360 HydrophobicContact CE1-CG1 4.23Å; Y356-I360 HydrophobicContact CE2-CD1 3.81Å; Y356-I360 HydrophobicContact CE2-CG1 3.8Å; Y356-I360 HydrophobicContact CG-CD1 4.16Å; Y356-I360 WeakPolarHBondContact O-CG1 3.17Å; Y356-I360 PolarHBondContact O-N 2.83Å; Y356-I360 VanDerWaalsContact O-N 3.15Å; Y356-H887 AromaticContact CE2-ND1 3.93Å; Y356-H887 AromaticContact CZ-ND1 3.85Å; Y356-H887 PolarHBondContact OH-ND1 2.89Å; Y356-I891 HydrophobicContact CE1-CG2 4.31Å; Y356-Y896 AromaticContact CD1-CD2 3.62Å; Y356-Y896 HydrophobicContact CD1-CD2 3.62Å; Y356-Y896 AromaticContact CD1-CE2 3.63Å; Y356-Y896 HydrophobicContact CD1-CE2 3.63Å; Y356-Y896 HydrophobicContact CE1-CD2 4.04Å; Y356-Y896 HydrophobicContact CE1-CE2 4.35Å; Y356-Y896 HydrophobicContact CG-CD2 4.38Å; Y356-Y896 AromaticContact CG-CE2 3.92Å; Y356-Y896 HydrophobicContact CG-CE2 3.92Å; Y356-I900 HydrophobicContact CE1-CD1 3.81Å; Y356-I900 HydrophobicContact CE1-CG2 4.01Å; Y356-I900 HydrophobicContact CE2-CG2 4.23Å; Y356-I900 WeakPolarHBondContact OH-CD1 3.35Å; Y356-I904 HydrophobicContact CD2-CD1 3.7Å; Y356-I904 HydrophobicContact CE2-CD1 4.42Å; Y356-I904 HydrophobicContact CG-CD1 3.85Å; Y356-F1081 AromaticContact CD2-CD2 3.63Å; Y356-F1081 HydrophobicContact CD2-CD2 3.63Å; Y356-F1081 AromaticContact CD2-CE2 3.72Å; Y356-F1081 HydrophobicContact CD2-CE2 3.72Å; Y356-F1081 HydrophobicContact CD2-CG 4.11Å; Y356-F1081 HydrophobicContact CD2-CZ 4.25Å; Y356-F1081 HydrophobicContact CE2-CB 4.25Å; Y356-F1081 HydrophobicContact CE2-CD1 4.14Å; Y356-F1081 AromaticContact CE2-CD2 3.81Å; Y356-F1081 HydrophobicContact CE2-CD2 3.81Å; Y356-F1081 HydrophobicContact CE2-CE1 4.49Å; Y356-F1081 HydrophobicContact CE2-CE2 4.19Å; Y356-F1081 AromaticContact CE2-CG 3.78Å; Y356-F1081 HydrophobicContact CE2-CG 3.78Å
357L73.9Confident69.7Low48 Ų4865.6 Ų65.625%0.25132%0.323SS..Hα-helixtrans-57.4-39175.6-69.3176.3000112.8W353 K354 H359 I360 I891W353-L357 HydrophobicContact CD2-CD1 4.22Å; W353-L357 HydrophobicContact CH2-CD1 4.44Å; W353-L357 HydrophobicContact CZ2-CD1 3.76Å; W353-L357 WeakPolarHBondContact O-CG 3.35Å; W353-L357 PolarHBondContact O-N 3.11Å; K354-L357 PolarHBondContact O-N 3.04Å; L357-H359 PolarHBondContact O-N 2.93Å; L357-I360 HydrophobicContact CD2-CD1 4.01Å; L357-I360 PolarHBondContact O-N 2.93Å; L357-I891 HydrophobicContact CD2-CG2 4.23Å
358E75.8Confident67.3Low144 Ų14469.4 Ų69.467%0.67335%0.351SS*.Hα-helixtrans-68-17.8176.3-73.7172.3-169.200113.6K354 N355 Y356K354-E358 WeakPolarHBondContact O-CG 3.49Å; K354-E358 PolarHBondContact O-N 2.82Å; N355-E358 PolarHBondContact O-N 2.87Å; Y356-E358 VanDerWaalsContact C-N 3.29Å; Y356-E358 PolarHBondContact O-N 2.93Å
359H71.1Confident65.3Low45 Ų4571.5 Ų71.521%0.20837%0.366CS..THydrogen-bonded Turntrans-109.46.7179.2-7283.9000114.2N355 Y356 L357 W907 P1080 F1081N355-H359 PolarHBondContact O-N 2.93Å; N355-H359 PolarHBondContact O-ND1 3.49Å; N355-H359 PolarHBondContact OD1-CE1 2.81Å; N355-H359 PolarHBondContact OD1-ND1 3.41Å; Y356-H359 CarbonylContact O-C 3.58Å; Y356-H359 PolarHBondContact O-N 2.99Å; L357-H359 PolarHBondContact O-N 2.93Å; H359-W907 HydrophobicContact CB-CH2 3.93Å; H359-W907 HydrophobicContact CB-CZ2 3.98Å; H359-W907 AromaticContact CD2-CZ2 3.91Å; H359-W907 AromaticContact CG-CH2 3.76Å; H359-W907 AromaticContact CG-CZ2 3.72Å; H359-W907 AromaticContact ND1-CH2 3.77Å; H359-P1080 HydrophobicContact CB-CG 4.02Å; H359-F1081 HydrophobicContact CB-CD2 4.16Å
360I69.7Low62.8Low15 Ų1574.1 Ų74.18%0.07739%0.389CS..EExtended strand (participates in β ladder)trans-88.8134.7172.6-68.9161.3000110.7Y356 L357 V362 H887 F1081Y356-I360 HydrophobicContact CD1-CD1 3.75Å; Y356-I360 HydrophobicContact CD2-CD1 4.21Å; Y356-I360 HydrophobicContact CD2-CG1 4.18Å; Y356-I360 HydrophobicContact CE1-CD1 3.31Å; Y356-I360 HydrophobicContact CE1-CG1 4.23Å; Y356-I360 HydrophobicContact CE2-CD1 3.81Å; Y356-I360 HydrophobicContact CE2-CG1 3.8Å; Y356-I360 HydrophobicContact CG-CD1 4.16Å; Y356-I360 WeakPolarHBondContact O-CG1 3.17Å; Y356-I360 PolarHBondContact O-N 2.83Å; Y356-I360 VanDerWaalsContact O-N 3.15Å; L357-I360 HydrophobicContact CD2-CD1 4.01Å; L357-I360 PolarHBondContact O-N 2.93Å; I360-V362 HydrophobicContact CG2-CG2 3.41Å; I360-V362 VanDerWaalsContact CG2-CG2 3.41Å; I360-H887 HydrophobicContact CG2-CB 4.01Å; I360-F1081 CarbonylContact C-O 3.54Å; I360-F1081 WeakPolarHBondContact CA-O 3.35Å; I360-F1081 HydrophobicContact CG1-CB 3.98Å
361K67.6Low60.2Low101 Ų10180.8 Ų80.844%0.43943%0.425SS..EExtended strand (participates in β ladder)trans-112.6113.4161.2179.6178.2175.1-1740110.1W1079 F1081 T1082 G1083K361-W1079 HydrophobicContact CB-CB 3.81Å; K361-W1079 HydrophobicContact CB-CD2 3.68Å; K361-W1079 HydrophobicContact CB-CE3 3.86Å; K361-W1079 HydrophobicContact CB-CG 3.62Å; K361-W1079 HydrophobicContact CD-CB 4.41Å; K361-W1079 HydrophobicContact CD-CD2 4.35Å; K361-W1079 HydrophobicContact CD-CG 3.89Å; K361-W1079 HydrophobicContact CG-CG 4.38Å; K361-F1081 PolarHBondContact N-O 3.37Å; K361-T1082 HydrophobicContact CB-CG2 4.5Å; K361-T1082 WeakPolarHBondContact O-CA 3.04Å; K361-G1083 PolarHBondContact O-N 3.49Å
362V66.1Low57.7Low36 Ų3683.7 Ų83.722%0.21845%0.447CS..EExtended strand (participates in β ladder)trans-97130.6173.3-170.20000110.3I360 H887 N889 G1083 D1085I360-V362 HydrophobicContact CG2-CG2 3.41Å; I360-V362 VanDerWaalsContact CG2-CG2 3.41Å; V362-H887 WeakPolarHBondContact CG2-O 3.3Å; V362-N889 HydrophobicContact CB-CB 4.35Å; V362-N889 HydrophobicContact CG2-CB 3.71Å; V362-G1083 WeakPolarHBondContact CA-O 3.43Å; V362-D1085 HydrophobicContact CG1-CB 3.73Å
363V59Low55.5Low61 Ų6188 Ų8837%0.3747%0.471SS..EExtended strand (participates in β ladder)trans-90.7109.3166.3-178.50000107.2L365 G1083 Y1084 D1085V363-L365 PolarHBondContact O-N 3.15Å; V363-G1083 PolarHBondContact N-O 3.23Å; V363-Y1084 HydrophobicContact CB-CD1 3.99Å; V363-Y1084 HydrophobicContact CB-CE1 4.31Å; V363-Y1084 HydrophobicContact CG1-CD1 4.23Å; V363-Y1084 HydrophobicContact CG1-CE1 4.36Å; V363-Y1084 WeakPolarHBondContact O-CA 3.37Å; V363-D1085 PolarHBondContact O-N 3.3Å
364H57.4Low52.8Low141 Ų14196 Ų9665%0.65351%0.51SS*.EExtended strand (participates in β ladder)trans-61.6125164.4-82.5-21.4000108.6D1085H364-D1085 IonicContact CE1-OD2 2.8Å; H364-D1085 PolarHBondContact CE1-OD2 2.84Å; H364-D1085 WeakPolarHBondContact ND1-CB 3.19Å; H364-D1085 IonicContact ND1-OD2 2.94Å; H364-D1085 PolarHBondContact ND1-OD2 3.21Å
365L46.7Very low50.4Low86 Ų8697.7 Ų97.745%0.4552%0.524SS..  trans-68.3142.8163.5-62.4173.6000108.3V363 I367 Y1084 I1086V363-L365 PolarHBondContact O-N 3.15Å; L365-I367 PolarHBondContact O-N 3Å; L365-Y1084 HydrophobicContact CD2-CD1 3.77Å; L365-Y1084 HydrophobicContact CD2-CE1 4.45Å; L365-Y1084 HydrophobicContact CG-CD1 4.46Å; L365-I1086 HydrophobicContact CD1-CG2 4.17Å
366P42.1Very low48.1Very low125 Ų125103.2 Ų103.281%0.81255%0.553SS**  trans-66.4104.6175.227.2-32.8000109.2C368P366-C368 PolarHBondContact O-N 3.41Å
367I40.5Very low45.7Very low147 Ų147109.4 Ų109.475%0.75460%0.597SS**  trans-65106.3172.5-57.7173.2000106.8L365 P369L365-I367 PolarHBondContact O-N 3Å; I367-P369 WeakPolarHBondContact O-CD 3.46Å
368C33.6Very low43.4Very low99 Ų99111.1 Ų111.167%0.66962%0.618SS**  trans-64.2112.5174.2-166.40000108.2P366P366-C368 PolarHBondContact O-N 3.41Å
369P37.9Very low40.9Very low82 Ų82109.8 Ų109.853%0.53262%0.624SS.*  trans-72.2135.8-177.4-14.731000109.3I367 L371I367-P369 WeakPolarHBondContact O-CD 3.46Å; P369-L371 PolarHBondContact O-N 3.24Å
370P30.2Very low38.6Very low112 Ų112112.3 Ų112.373%0.72765%0.647SS**  trans-58135.9169.225.8-33.3000109.1L372P370-L372 PolarHBondContact O-N 2.87Å
371L28.6Very low36.6Very low157 Ų157120.2 Ų120.282%0.82268%0.681SS**  trans-63.895.6-167.7-65.4171.7000111.8P369 N373P369-L371 PolarHBondContact O-N 3.24Å; L371-N373 PolarHBondContact O-N 2.94Å
372L26.5Very low34.5Very low163 Ų163124.1 Ų124.185%0.85370%0.701SS**  trans-80.6110.2167.3-68.9177.7000108.7P370 E374P370-L372 PolarHBondContact O-N 2.87Å; L372-E374 PolarHBondContact O-N 3.32Å; L372-E374 VanDerWaalsContact O-N 3.17Å
373N29.6Very low32.5Very low112 Ų112129.9 Ų129.960%0.59973%0.729SS**  trans-50.1116.2-174.5-74.7-16.3000113.3L371 N375L371-N373 PolarHBondContact O-N 2.94Å; N373-N375 PolarHBondContact O-N 3.37Å
374E24.1Very low30.7Very low191 Ų191134.6 Ų134.689%0.89375%0.752SS**SBendtrans-68.887.1168.6-69.2-161.6132.700110.7L372L372-E374 PolarHBondContact O-N 3.32Å; L372-E374 VanDerWaalsContact O-N 3.17Å
375N28.6Very low29.2Very low147 Ų147137 Ų13779%0.78676%0.76SS**  trans-148.77.4171-106.4-39.8000117.3N373 S377N373-N375 PolarHBondContact O-N 3.37Å; N375-S377 PolarHBondContact O-N 2.96Å
376D26.9Very low27.9Very low156 Ų156141.5 Ų141.583%0.83478%0.781SS**  trans-100.464.3174.3-121.8-35.8000112.5A378D376-A378 PolarHBondContact O-N 2.82Å
377S23.7Very low26.9Very low130 Ų130140.7 Ų140.791%0.90978%0.778SS**THydrogen-bonded Turntrans-72.454.4179.3-75.50000113.5N375N375-S377 PolarHBondContact O-N 2.96Å
378A25.5Very low26.1Very low84 Ų84143.3 Ų143.369%0.69478%0.784SS**THydrogen-bonded Turntrans-134.4-5.9-167.800000117.4D376D376-A378 PolarHBondContact O-N 2.82Å
379S22.5Very low25.5Very low115 Ų115144.8 Ų144.880%0.80479%0.792SS**  trans-14583.3176.4-164.80000114.9
380S23.7Very low24.7Very low99 Ų99145.6 Ų145.669%0.69281%0.806SS**  trans-81.9126.6170.7-165.40000111.3
381K27.3Very low24.4Very low181 Ų181147.4 Ų147.479%0.78782%0.815SS**  trans81.879.9164.7-51.1143.6-172.5169.70118.3
382Q24.7Very low24Very low183 Ų183142.9 Ų142.986%0.85581%0.806SS**  trans-129.745.8139.5-75-154.25.600113L384Q382-L384 PolarHBondContact O-N 3.15Å
383L23.8Very low23.9Very low156 Ų156143.3 Ų143.382%0.81781%0.808SS**  trans-69.1105.4163.8-164.4161.7000108.2K385L383-K385 VanDerWaalsContact C-N 3.28Å; L383-K385 PolarHBondContact O-N 2.66Å
384L21.3Very low23.5Very low161 Ų161145.4 Ų145.484%0.84381%0.814SS**  trans-65.179.6-176-83.7163.3000112.1Q382 M386Q382-L384 PolarHBondContact O-N 3.15Å; L384-M386 PolarHBondContact O-N 3.41Å
385K24.9Very low23.5Very low192 Ų192141.6 Ų141.684%0.83581%0.806SS**  trans-73.793.7178.3-163165.9-169.9168.30110.3L383L383-K385 VanDerWaalsContact C-N 3.28Å; L383-K385 PolarHBondContact O-N 2.66Å
386M20.2Very low23.2Very low180 Ų180141 Ų14189%0.88780%0.803SS**  trans-41.3136.9169.9-97.2-71.1-155.800111.7L384L384-M386 PolarHBondContact O-N 3.41Å
387S21.5Very low23.1Very low107 Ų107140.6 Ų140.675%0.74880%0.801SS**  trans-74.4143.8-163.155.50000114.4
388K23.3Very low23Very low203 Ų203141.9 Ų141.988%0.88380%0.796SS**  trans-131.5144.4136.7-106.5176.2178.2172.10108.8
389P21.6Very low23Very low129 Ų129144.3 Ų144.384%0.83880%0.798SS**  trans-80.6161.4-155.431.4-36.9000114.2
390A19.6Very low23.2Very low99 Ų99148.7 Ų148.782%0.81880%0.802SS**  trans-98.2132.9-170.300000114.4
391V24.1Very low23.2Very low151 Ų151149.6 Ų149.692%0.91581%0.806SS**  trans-146.9131.9147.3-173.90000105.5
392G20.6Very low22.9Very low62 Ų62145.4 Ų145.464%0.63981%0.805SS**  cis132.983.4-5.500000112.4
393L24.6Very low23Very low171 Ų171144.9 Ų144.990%0.89581%0.807SS**  trans-174.3127.3155.5-105161.8000112.6
394H22.2Very low22.9Very low157 Ų157147 Ų14773%0.72781%0.809SS**  trans25.5133.4159.1-120.8-90.6000123.8
395P23.2Very low23.3Very low111 Ų111144.5 Ų144.572%0.72181%0.805SS**  trans-84.9156.9157.836.8-33.5000111.9
396D22.2Very low23.4Very low134 Ų134143.9 Ų143.972%0.71781%0.805SS**  trans-160.4141165-119.9-35.7000114.1
397N25.1Very low23.7Very low148 Ų148143.2 Ų143.279%0.79181%0.805SS**  trans59.8135.5161.1-65.3-68.6000123.9
398L22.1Very low23.8Very low156 Ų156143.6 Ų143.682%0.81781%0.806SS**  trans-81.9-168.5-179.4-143.468.1000112.7
399D24.4Very low24Very low136 Ų136136.7 Ų136.773%0.72779%0.793SS**  trans7689.6159.8-62.2-12000120.4
400K26.4Very low24.4Very low206 Ų206137.5 Ų137.590%0.89679%0.79SS**  -168149.3102.7-104.4161.3-175.1166.20114.7
401P25Very low24.8Very low118 Ų118138.7 Ų138.777%0.76678%0.782SS**  trans-105.5174.1-173.541.1-36.7000115.3
402A21.2Very low25.2Very low94 Ų94139.1 Ų139.178%0.77778%0.779SS**  trans68.888.3152.300000119.2
403I26.1Very low25.9Very low172 Ų172140.7 Ų140.788%0.88279%0.786SS**  trans-117.2140.5137.8-63.5179.2000106.5
404K21.6Very low26.7Very low201 Ų201139 Ų13987%0.87477%0.773SS**  trans-96.7137.5179.3-62.8-176.2176.3-1700110.9
405S30Very low27.8Very low108 Ų108138.6 Ų138.676%0.75578%0.776SS**  trans-148.3143.4160.448.80000107
406E26.6Very low28.9Very low179 Ų179142.6 Ų142.684%0.83678%0.783SS**  trans-67.8173.4-169.4-69.7104.414400115.8
407D25.6Very low30.5Very low165 Ų165141.3 Ų141.388%0.88278%0.779SS**  trans-48.2128.1-168.2-57.9-62.7000115.2
408C23.8Very low32.2Very low115 Ų115136.1 Ų136.178%0.77775%0.752SS**  trans-12880.9155.7-170.50000106.5D410C408-D410 PolarHBondContact O-N 3.18Å
409G28.3Very low34.3Very low59 Ų59131.5 Ų131.561%0.60873%0.727SS**  trans-75.2115.6-177.900000111.7L411G409-L411 PolarHBondContact O-N 3.15Å
410D30Very low36.6Very low145 Ų145129.8 Ų129.878%0.77571%0.71SS**  trans39.960.6146.3-54.9-30000118.1C408 L412C408-D410 PolarHBondContact O-N 3.18Å; D410-L412 PolarHBondContact O-N 3.49Å
411L28.4Very low38.7Very low124 Ų124122.1 Ų122.165%0.64968%0.677SS**  trans-7165.7160-63.8178000110.9G409G409-L411 PolarHBondContact O-N 3.15Å
412L31Very low41Very low161 Ų161119 Ų11984%0.84365%0.65SS**  trans-129.823.4179.8-71.2178.6000113.2D410D410-L412 PolarHBondContact O-N 3.49Å
413A35.2Very low43.4Very low95 Ų95118.7 Ų118.779%0.78564%0.635SS**SBendtrans-140.556.4170.200000109.8D415A413-D415 PolarHBondContact O-N 2.86Å
414E42Very low45.7Very low135 Ų135114.1 Ų114.163%0.63161%0.61SS**  trans-77.4108.5-177-61.1-138.2151.500112.1F416E414-F416 PolarHBondContact O-N 2.87Å
415D45.8Very low48Very low148 Ų148107.2 Ų107.279%0.79158%0.582SS**  trans46.653.6146.2-61.13000118.2A413 V417A413-D415 PolarHBondContact O-N 2.86Å; D415-V417 PolarHBondContact O-N 3.38Å; D415-V417 VanDerWaalsContact O-N 3.14Å
416F47.2Very low49.6Very low196 Ų196103.3 Ų103.386%0.8655%0.553SS**  trans-71.199.3152.9-89.5-88.6000109.6E414 D418E414-F416 PolarHBondContact O-N 2.87Å; F416-D418 PolarHBondContact O-N 3.02Å
417V54.7Low51.4Low106 Ų106102.6 Ų102.664%0.64255%0.549SS*.  trans-68.2120.9177.5-178.80000110.2D415 M419D415-V417 PolarHBondContact O-N 3.38Å; D415-V417 VanDerWaalsContact O-N 3.14Å; V417-M419 HydrophobicContact CG1-CG 4.45Å; V417-M419 HydrophobicContact CG1-SD 4.41Å; V417-M419 PolarHBondContact O-N 2.7Å
418D61.7Low52.8Low40 Ų4098.5 Ų98.521%0.21455%0.546CS..  trans-66.8130.4172.2-173.35.1000110.7F416 R420 Q446 N450F416-D418 PolarHBondContact O-N 3.02Å; D418-R420 VanDerWaalsContact CG-NE 3.32Å; D418-R420 VanDerWaalsContact OD1-CB 3.3Å; D418-R420 WeakPolarHBondContact OD1-CB 3.38Å; D418-R420 WeakPolarHBondContact OD1-CG 3.35Å; D418-R420 IonicContact OD1-CZ 2.81Å; D418-R420 PolarHBondContact OD1-N 3.27Å; D418-R420 IonicContact OD1-NE 3.34Å; D418-R420 PolarHBondContact OD1-NE 3.12Å; D418-R420 IonicContact OD1-NH2 3.84Å; D418-R420 IonicContact OD2-CZ 3.17Å; D418-R420 VanDerWaalsContact OD2-CZ 3.26Å; D418-R420 IonicContact OD2-NE 3.75Å; D418-R420 PolarHBondContact OD2-NE 3.36Å; D418-R420 IonicContact OD2-NH2 2.81Å; D418-R420 PolarHBondContact OD2-NH2 2.83Å; D418-Q446 VanDerWaalsContact O-CG 3.22Å; D418-Q446 WeakPolarHBondContact O-CG 3.32Å; D418-Q446 PolarHBondContact O-NE2 3.04Å; D418-N450 PolarHBondContact O-ND2 3.25Å
419M65Low53.8Low58 Ų5896.7 Ų96.729%0.28653%0.528SS..  trans-131.414.3-175.9-71.1-65.4-65.900112.2V417 Y422 N423 L443 Q446V417-M419 HydrophobicContact CG1-CG 4.45Å; V417-M419 HydrophobicContact CG1-SD 4.41Å; V417-M419 PolarHBondContact O-N 2.7Å; M419-Y422 HydrophobicContact CE-CD1 3.45Å; M419-Y422 VanDerWaalsContact CE-CD1 3.45Å; M419-Y422 HydrophobicContact CE-CD2 3.95Å; M419-Y422 HydrophobicContact CE-CE1 4.03Å; M419-Y422 HydrophobicContact CE-CE2 4.47Å; M419-Y422 HydrophobicContact CE-CG 3.41Å; M419-Y422 VanDerWaalsContact CE-CG 3.41Å; M419-Y422 PolarHBondContact O-N 3.01Å; M419-N423 PolarHBondContact O-N 2.88Å; M419-N423 VanDerWaalsContact O-N 3.14Å; M419-N423 PolarHBondContact O-ND2 3.05Å; M419-L443 HydrophobicContact CE-CD2 3.85Å; M419-L443 HydrophobicContact SD-CD2 4.37Å; M419-Q446 PolarHBondContact O-OE1 2.87Å; M419-Q446 HydrophobicContact SD-CG 4.19Å
420R72.4Confident54.4Low101 Ų10197.1 Ų97.138%0.38152%0.521SS..Hα-helixtrans-65.1-45.8-177.1-70.6175.2-65.5177.74.6113.9D418 N423 E424 P456D418-R420 VanDerWaalsContact CG-NE 3.32Å; D418-R420 VanDerWaalsContact OD1-CB 3.3Å; D418-R420 WeakPolarHBondContact OD1-CB 3.38Å; D418-R420 WeakPolarHBondContact OD1-CG 3.35Å; D418-R420 IonicContact OD1-CZ 2.81Å; D418-R420 PolarHBondContact OD1-N 3.27Å; D418-R420 IonicContact OD1-NE 3.34Å; D418-R420 PolarHBondContact OD1-NE 3.12Å; D418-R420 IonicContact OD1-NH2 3.84Å; D418-R420 IonicContact OD2-CZ 3.17Å; D418-R420 VanDerWaalsContact OD2-CZ 3.26Å; D418-R420 IonicContact OD2-NE 3.75Å; D418-R420 PolarHBondContact OD2-NE 3.36Å; D418-R420 IonicContact OD2-NH2 2.81Å; D418-R420 PolarHBondContact OD2-NH2 2.83Å; R420-N423 PolarHBondContact O-N 2.87Å; R420-E424 WeakPolarHBondContact O-CB 3.31Å; R420-E424 PolarHBondContact O-N 3Å; R420-P456 HydrophobicContact CB-CG 3.6Å
421F70.1Confident55.3Low45 Ų4596.9 Ų96.920%0.19752%0.518CS..Hα-helixtrans-63.4-38.9173.8-97.8-76.1000112.4N423 E424 I425 Q446 A449 I454 P456F421-N423 VanDerWaalsContact C-N 3.29Å; F421-N423 PolarHBondContact O-N 3.35Å; F421-E424 PolarHBondContact O-N 3.22Å; F421-I425 WeakPolarHBondContact O-CB 3.22Å; F421-I425 WeakPolarHBondContact O-CD1 3.44Å; F421-I425 VanDerWaalsContact O-CG1 3.24Å; F421-I425 WeakPolarHBondContact O-CG1 3.47Å; F421-I425 PolarHBondContact O-N 3.12Å; F421-Q446 HydrophobicContact CB-CB 4.4Å; F421-A449 HydrophobicContact CD2-CB 3.23Å; F421-A449 HydrophobicContact CE2-CB 3.39Å; F421-A449 HydrophobicContact CG-CB 4.01Å; F421-A449 HydrophobicContact CZ-CB 4.28Å; F421-I454 HydrophobicContact CE2-CG2 3.97Å; F421-I454 WeakPolarHBondContact CE2-O 3.44Å; F421-I454 HydrophobicContact CZ-CG2 3.87Å; F421-P456 HydrophobicContact CD1-CB 4.46Å; F421-P456 HydrophobicContact CD2-CB 3.74Å; F421-P456 HydrophobicContact CD2-CG 3.96Å; F421-P456 HydrophobicContact CE1-CB 4.46Å; F421-P456 HydrophobicContact CE2-CB 3.75Å; F421-P456 HydrophobicContact CE2-CG 4.18Å; F421-P456 VanDerWaalsContact CE2-N 3.26Å; F421-P456 HydrophobicContact CG-CB 4.13Å; F421-P456 HydrophobicContact CZ-CB 4.12Å
422Y74.9Confident56Low51 Ų5195.3 Ų95.320%0.251%0.507CS..Hα-helixtrans-59.8-42.2176.4169.6-88000111.1M419 L426 I439 A442 L443M419-Y422 HydrophobicContact CE-CD1 3.45Å; M419-Y422 VanDerWaalsContact CE-CD1 3.45Å; M419-Y422 HydrophobicContact CE-CD2 3.95Å; M419-Y422 HydrophobicContact CE-CE1 4.03Å; M419-Y422 HydrophobicContact CE-CE2 4.47Å; M419-Y422 HydrophobicContact CE-CG 3.41Å; M419-Y422 VanDerWaalsContact CE-CG 3.41Å; M419-Y422 PolarHBondContact O-N 3.01Å; Y422-L426 HydrophobicContact CD1-CD1 4.41Å; Y422-L426 HydrophobicContact CD2-CD1 4.3Å; Y422-L426 HydrophobicContact CE1-CD1 3.8Å; Y422-L426 HydrophobicContact CE2-CD1 3.67Å; Y422-L426 PolarHBondContact O-N 3.18Å; Y422-L426 WeakPolarHBondContact OH-CD1 3.29Å; Y422-I439 HydrophobicContact CE2-CG2 4.17Å; Y422-A442 HydrophobicContact CD2-CB 3.57Å; Y422-A442 HydrophobicContact CE2-CB 3.99Å; Y422-A442 HydrophobicContact CG-CB 4.35Å; Y422-L443 HydrophobicContact CD2-CB 4.47Å; Y422-L443 HydrophobicContact CD2-CD2 3.79Å; Y422-L443 HydrophobicContact CD2-CG 3.75Å; Y422-L443 HydrophobicContact CE2-CD2 4Å; Y422-L443 HydrophobicContact CE2-CG 3.74Å
423N71.7Confident56.7Low88 Ų8890.2 Ų90.247%0.47149%0.485SS..Hα-helixtrans-66.3-50.6174.7-65.1-19.1000110.9M419 R420 F421 I425 L426 E427M419-N423 PolarHBondContact O-N 2.88Å; M419-N423 VanDerWaalsContact O-N 3.14Å; M419-N423 PolarHBondContact O-ND2 3.05Å; R420-N423 PolarHBondContact O-N 2.87Å; F421-N423 VanDerWaalsContact C-N 3.29Å; F421-N423 PolarHBondContact O-N 3.35Å; N423-I425 PolarHBondContact O-N 3.31Å; N423-I425 VanDerWaalsContact O-N 3.13Å; N423-L426 CarbonylContact O-C 3.54Å; N423-L426 PolarHBondContact O-N 2.88Å; N423-E427 WeakPolarHBondContact O-CB 3.5Å; N423-E427 PolarHBondContact O-N 3.26Å
424E73.4Confident57.3Low77 Ų7787.5 Ų87.536%0.3646%0.459SS..Hα-helixtrans-58.1-27-178.8-168.9170.7-162.700113.4R420 F421 P456R420-E424 WeakPolarHBondContact O-CB 3.31Å; R420-E424 PolarHBondContact O-N 3Å; F421-E424 PolarHBondContact O-N 3.22Å; E424-P456 WeakPolarHBondContact OE2-CB 3.19Å
425I70.1Confident57.8Low55 Ų5582.2 Ų82.228%0.28244%0.437SS..Hα-helixtrans-82.5-24.1176-69.1165.9000113.2F421 N423 A442 E445F421-I425 WeakPolarHBondContact O-CB 3.22Å; F421-I425 WeakPolarHBondContact O-CD1 3.44Å; F421-I425 VanDerWaalsContact O-CG1 3.24Å; F421-I425 WeakPolarHBondContact O-CG1 3.47Å; F421-I425 PolarHBondContact O-N 3.12Å; N423-I425 PolarHBondContact O-N 3.31Å; N423-I425 VanDerWaalsContact O-N 3.13Å; I425-A442 HydrophobicContact CB-CB 4.05Å; I425-A442 HydrophobicContact CG2-CB 3.7Å; I425-E445 HydrophobicContact CD1-CB 3.6Å; I425-E445 HydrophobicContact CD1-CG 4.12Å
426L63Low58.1Low27 Ų2779.9 Ų79.914%0.14143%0.428CS..Hα-helixtrans-107.7-13.1-177.4-62.6-179.3000113.8Y422 N423 G428 L429 T434 A442Y422-L426 HydrophobicContact CD1-CD1 4.41Å; Y422-L426 HydrophobicContact CD2-CD1 4.3Å; Y422-L426 HydrophobicContact CE1-CD1 3.8Å; Y422-L426 HydrophobicContact CE2-CD1 3.67Å; Y422-L426 PolarHBondContact O-N 3.18Å; Y422-L426 WeakPolarHBondContact OH-CD1 3.29Å; N423-L426 CarbonylContact O-C 3.54Å; N423-L426 PolarHBondContact O-N 2.88Å; L426-G428 PolarHBondContact O-N 3.43Å; L426-L429 HydrophobicContact CD2-CD1 4.16Å; L426-L429 PolarHBondContact O-N 3.04Å; L426-T434 HydrophobicContact CD2-CG2 4.49Å; L426-A442 HydrophobicContact CD1-CB 4.2Å; L426-A442 HydrophobicContact CD2-CB 4.21Å; L426-A442 HydrophobicContact CG-CB 3.98Å
427E65.3Low58.3Low163 Ų16372.2 Ų72.276%0.76240%0.395SS*.THydrogen-bonded Turntrans-62.6129.4177.7-169.4156.4-155.100110.6N423N423-E427 WeakPolarHBondContact O-CB 3.5Å; N423-E427 PolarHBondContact O-N 3.26Å
428G54.1Low58.5Low79 Ų7970.1 Ų70.181%0.81438%0.379SS*.THydrogen-bonded Turntrans84.2-3.5-174.300000116.4L426L426-G428 PolarHBondContact O-N 3.43Å
429L45.6Very low58.6Low77 Ų7771 Ų7140%0.40338%0.383SS..  trans-88.3131175.3-64.8-177.9000112.8L426L426-L429 HydrophobicContact CD2-CD1 4.16Å; L426-L429 PolarHBondContact O-N 3.04Å
430P41.7Very low58.4Low69 Ų6972.4 Ų72.445%0.44839%0.392SS..  trans-63141.6170.6-21.733.1000112.1E432 S433 T434P430-E432 VanDerWaalsContact CB-OE2 3.29Å; P430-E432 WeakPolarHBondContact CB-OE2 3.31Å; P430-E432 PolarHBondContact O-N 2.81Å; P430-E432 VanDerWaalsContact O-N 3.14Å; P430-S433 WeakPolarHBondContact O-CA 3.4Å; P430-S433 WeakPolarHBondContact O-CB 3.44Å; P430-S433 PolarHBondContact O-N 3.26Å; P430-T434 PolarHBondContact O-N 3.43Å; P430-T434 PolarHBondContact O-OG1 3.12Å
431I47.2Very low58Low140 Ų14072 Ų7272%0.71839%0.394SS*.THydrogen-bonded Turntrans-65.5-22-173-159.5166.9000113.5S433I431-S433 VanDerWaalsContact C-N 3.33Å
432E43.4Very low58Low91 Ų9169.8 Ų69.843%0.42538%0.384SS..THydrogen-bonded Turntrans-78.6-18.4174.3-44.683.6173.600112.9P430 I1138P430-E432 VanDerWaalsContact CB-OE2 3.29Å; P430-E432 WeakPolarHBondContact CB-OE2 3.31Å; P430-E432 PolarHBondContact O-N 2.81Å; P430-E432 VanDerWaalsContact O-N 3.14Å; E432-I1138 HydrophobicContact CB-CD1 3.89Å; E432-I1138 HydrophobicContact CG-CD1 3.87Å
433S46Very low57.8Low54 Ų5470.4 Ų70.438%0.37839%0.39SS..THydrogen-bonded Turntrans-88.9-23171.9-57.30000112.1P430 I431 S435P430-S433 WeakPolarHBondContact O-CA 3.4Å; P430-S433 WeakPolarHBondContact O-CB 3.44Å; P430-S433 PolarHBondContact O-N 3.26Å; I431-S433 VanDerWaalsContact C-N 3.33Å; S433-S435 PolarHBondContact O-N 3.44Å; S433-S435 VanDerWaalsContact O-N 3.1Å
434T48.4Very low57.4Low38 Ų3868.4 Ų68.423%0.23338%0.38CS..  trans-70.5102.5-179.9-59.70000111.4L426 P430 I439L426-T434 HydrophobicContact CD2-CG2 4.49Å; P430-T434 PolarHBondContact O-N 3.43Å; P430-T434 PolarHBondContact O-OG1 3.12Å; T434-I439 HydrophobicContact CG2-CD1 3.85Å; T434-I439 HydrophobicContact CG2-CG1 3.63Å
435S52.3Low57.3Low23 Ų2367.7 Ų67.716%0.16138%0.376CS..  trans-91.2162178.792.70000112.6S433 E437 L438 I439S433-S435 PolarHBondContact O-N 3.44Å; S433-S435 VanDerWaalsContact O-N 3.1Å; S435-E437 WeakPolarHBondContact CB-OE2 3.34Å; S435-E437 PolarHBondContact O-N 3.26Å; S435-E437 PolarHBondContact OG-N 3.17Å; S435-E437 PolarHBondContact OG-OE2 3.09Å; S435-L438 PolarHBondContact O-N 2.7Å; S435-L438 VanDerWaalsContact O-N 3.12Å; S435-L438 PolarHBondContact OG-N 2.9Å; S435-L438 VanDerWaalsContact OG-N 3.14Å; S435-I439 WeakPolarHBondContact O-CG1 3.42Å; S435-I439 PolarHBondContact O-N 2.73Å
436V51Low57.6Low100 Ų10065.1 Ų65.161%0.60636%0.363SS*.Hα-helixtrans-61.7-34.7173.6179.90000110.6L440V436-L440 HydrophobicContact CG1-CD1 4.14Å; V436-L440 HydrophobicContact CG1-CG 4.49Å; V436-L440 WeakPolarHBondContact O-CB 3.47Å; V436-L440 VanDerWaalsContact O-CG 3.27Å; V436-L440 WeakPolarHBondContact O-CG 3.36Å; V436-L440 PolarHBondContact O-N 3.35Å
437E52Low57.9Low35 Ų3568.1 Ų68.116%0.16438%0.382CS..Hα-helixtrans-65.1-37174.8-5389.5167.800112.2S435 H441 R1123S435-E437 WeakPolarHBondContact CB-OE2 3.34Å; S435-E437 PolarHBondContact O-N 3.26Å; S435-E437 PolarHBondContact OG-N 3.17Å; S435-E437 PolarHBondContact OG-OE2 3.09Å; E437-H441 WeakPolarHBondContact O-CB 3.48Å; E437-H441 PolarHBondContact O-N 2.86Å; E437-R1123 IonicContact OE1-NH1 2.72Å; E437-R1123 IonicContact OE2-NH1 2.72Å
438L59Low58Low62 Ų6260.8 Ų60.833%0.32535%0.349SS..Hα-helixtrans-71.4-43.4174.3-78.5168000113S435 L440 H441 A442S435-L438 PolarHBondContact O-N 2.7Å; S435-L438 VanDerWaalsContact O-N 3.12Å; S435-L438 PolarHBondContact OG-N 2.9Å; S435-L438 VanDerWaalsContact OG-N 3.14Å; L438-L440 VanDerWaalsContact C-N 3.28Å; L438-L440 PolarHBondContact O-N 2.88Å; L438-H441 PolarHBondContact O-N 2.78Å; L438-H441 VanDerWaalsContact O-N 3.15Å; L438-A442 WeakPolarHBondContact O-CB 3.29Å; L438-A442 PolarHBondContact O-N 2.82Å
439I64.8Low58.8Low57 Ų5757.3 Ų57.329%0.29231%0.312SS..Hα-helixtrans-59.3-42.8174.5-67.7168.7000110.2Y422 T434 S435 L443Y422-I439 HydrophobicContact CE2-CG2 4.17Å; T434-I439 HydrophobicContact CG2-CD1 3.85Å; T434-I439 HydrophobicContact CG2-CG1 3.63Å; S435-I439 WeakPolarHBondContact O-CG1 3.42Å; S435-I439 PolarHBondContact O-N 2.73Å; I439-L443 HydrophobicContact CG2-CD1 4.13Å; I439-L443 WeakPolarHBondContact O-CB 3.39Å; I439-L443 WeakPolarHBondContact O-CG 3.48Å; I439-L443 PolarHBondContact O-N 2.9Å
440L59.8Low60Low89 Ų8956.6 Ų56.647%0.46631%0.309SS..Hα-helixtrans-63.3-47.5173.2-73.6170.7000111V436 L438 A442 L443 L444V436-L440 HydrophobicContact CG1-CD1 4.14Å; V436-L440 HydrophobicContact CG1-CG 4.49Å; V436-L440 WeakPolarHBondContact O-CB 3.47Å; V436-L440 VanDerWaalsContact O-CG 3.27Å; V436-L440 WeakPolarHBondContact O-CG 3.36Å; V436-L440 PolarHBondContact O-N 3.35Å; L438-L440 VanDerWaalsContact C-N 3.28Å; L438-L440 PolarHBondContact O-N 2.88Å; L440-A442 PolarHBondContact O-N 3.21Å; L440-L443 PolarHBondContact O-N 3.27Å; L440-L444 HydrophobicContact CB-CD1 4.46Å; L440-L444 WeakPolarHBondContact O-CB 3.37Å; L440-L444 WeakPolarHBondContact O-CD1 3.37Å; L440-L444 WeakPolarHBondContact O-CG 3.24Å; L440-L444 PolarHBondContact O-N 3.18Å
441H64.5Low61.3Low91 Ų9159.3 Ų59.342%0.42131%0.314SS..Hα-helixtrans-56.2-47.4177.3-177.629.8000112.3E437 L438 L443 L444 E445E437-H441 WeakPolarHBondContact O-CB 3.48Å; E437-H441 PolarHBondContact O-N 2.86Å; L438-H441 PolarHBondContact O-N 2.78Å; L438-H441 VanDerWaalsContact O-N 3.15Å; H441-L443 PolarHBondContact O-N 3.31Å; H441-L444 PolarHBondContact O-N 2.95Å; H441-L444 VanDerWaalsContact O-N 3.11Å; H441-E445 VanDerWaalsContact CE1-CG 3.46Å; H441-E445 WeakPolarHBondContact CE1-CG 3.42Å; H441-E445 IonicContact CE1-OE1 2.68Å; H441-E445 PolarHBondContact CE1-OE1 2.69Å; H441-E445 VanDerWaalsContact CE1-OE1 3.25Å; H441-E445 IonicContact ND1-OE1 2.67Å; H441-E445 PolarHBondContact O-N 3.13Å
442A69.8Low62.4Low0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-60.4-42.7176.600000112.6Y422 I425 L426 L438 L440 L444 Q446Y422-A442 HydrophobicContact CD2-CB 3.57Å; Y422-A442 HydrophobicContact CE2-CB 3.99Å; Y422-A442 HydrophobicContact CG-CB 4.35Å; I425-A442 HydrophobicContact CB-CB 4.05Å; I425-A442 HydrophobicContact CG2-CB 3.7Å; L426-A442 HydrophobicContact CD1-CB 4.2Å; L426-A442 HydrophobicContact CD2-CB 4.21Å; L426-A442 HydrophobicContact CG-CB 3.98Å; L438-A442 WeakPolarHBondContact O-CB 3.29Å; L438-A442 PolarHBondContact O-N 2.82Å; L440-A442 PolarHBondContact O-N 3.21Å; A442-L444 VanDerWaalsContact C-N 3.28Å; A442-L444 PolarHBondContact O-N 3.01Å; A442-Q446 WeakPolarHBondContact O-CB 3.19Å; A442-Q446 PolarHBondContact O-N 3.31Å
443L70Confident63.5Low63 Ų6360.9 Ų60.933%0.3332%0.321SS..Hα-helixtrans-64-34.1174.8-78169.3000112.2M419 Y422 I439 L440 H441 V447M419-L443 HydrophobicContact CE-CD2 3.85Å; M419-L443 HydrophobicContact SD-CD2 4.37Å; Y422-L443 HydrophobicContact CD2-CB 4.47Å; Y422-L443 HydrophobicContact CD2-CD2 3.79Å; Y422-L443 HydrophobicContact CD2-CG 3.75Å; Y422-L443 HydrophobicContact CE2-CD2 4Å; Y422-L443 HydrophobicContact CE2-CG 3.74Å; I439-L443 HydrophobicContact CG2-CD1 4.13Å; I439-L443 WeakPolarHBondContact O-CB 3.39Å; I439-L443 WeakPolarHBondContact O-CG 3.48Å; I439-L443 PolarHBondContact O-N 2.9Å; L440-L443 PolarHBondContact O-N 3.27Å; H441-L443 PolarHBondContact O-N 3.31Å; L443-V447 WeakPolarHBondContact O-CB 3.44Å; L443-V447 VanDerWaalsContact O-CG2 3.27Å; L443-V447 WeakPolarHBondContact O-CG2 3.33Å; L443-V447 PolarHBondContact O-N 3.05Å
444L63.5Low64.6Low47 Ų4762.5 Ų62.525%0.24633%0.325CS..Hα-helixtrans-81.1-35.9-176.2-66.9168.8000112L440 H441 A442 V447 S448 L839L440-L444 HydrophobicContact CB-CD1 4.46Å; L440-L444 WeakPolarHBondContact O-CB 3.37Å; L440-L444 WeakPolarHBondContact O-CD1 3.37Å; L440-L444 WeakPolarHBondContact O-CG 3.24Å; L440-L444 PolarHBondContact O-N 3.18Å; H441-L444 PolarHBondContact O-N 2.95Å; H441-L444 VanDerWaalsContact O-N 3.11Å; A442-L444 VanDerWaalsContact C-N 3.28Å; A442-L444 PolarHBondContact O-N 3.01Å; L444-V447 PolarHBondContact O-N 3.2Å; L444-S448 VanDerWaalsContact O-CB 3.31Å; L444-S448 WeakPolarHBondContact O-CB 3.5Å; L444-S448 PolarHBondContact O-N 3.12Å; L444-S448 PolarHBondContact O-OG 2.85Å; L444-L839 HydrophobicContact CB-CD1 4.22Å; L444-L839 HydrophobicContact CD1-CB 4.06Å; L444-L839 HydrophobicContact CD1-CD1 3.89Å; L444-L839 HydrophobicContact CD1-CD2 3.76Å; L444-L839 HydrophobicContact CD1-CG 4.1Å; L444-L839 HydrophobicContact CD2-CD1 3.4Å; L444-L839 HydrophobicContact CD2-CD2 3.9Å; L444-L839 HydrophobicContact CD2-CG 4.24Å; L444-L839 HydrophobicContact CG-CD1 3.98Å; L444-L839 HydrophobicContact CG-CD2 4.43Å
445E72.2Confident65.3Low61 Ų6163.4 Ų63.429%0.28533%0.328SS..Hα-helixtrans-67.3-38167.7-62.9-50.9144.500110.9I425 H441 S448 A449I425-E445 HydrophobicContact CD1-CB 3.6Å; I425-E445 HydrophobicContact CD1-CG 4.12Å; H441-E445 VanDerWaalsContact CE1-CG 3.46Å; H441-E445 WeakPolarHBondContact CE1-CG 3.42Å; H441-E445 IonicContact CE1-OE1 2.68Å; H441-E445 PolarHBondContact CE1-OE1 2.69Å; H441-E445 VanDerWaalsContact CE1-OE1 3.25Å; H441-E445 IonicContact ND1-OE1 2.67Å; H441-E445 PolarHBondContact O-N 3.13Å; E445-S448 WeakPolarHBondContact O-CB 3.22Å; E445-S448 PolarHBondContact O-N 2.92Å; E445-A449 WeakPolarHBondContact O-CB 3.14Å; E445-A449 PolarHBondContact O-N 3.4Å
446Q75.2Confident65.8Low2 Ų262.4 Ų62.41%0.00932%0.32CS..Hα-helixtrans-59.7-47.3170.5-177.568.668.500112.5D418 M419 F421 A442 S448 A449 N450D418-Q446 VanDerWaalsContact O-CG 3.22Å; D418-Q446 WeakPolarHBondContact O-CG 3.32Å; D418-Q446 PolarHBondContact O-NE2 3.04Å; M419-Q446 PolarHBondContact O-OE1 2.87Å; M419-Q446 HydrophobicContact SD-CG 4.19Å; F421-Q446 HydrophobicContact CB-CB 4.4Å; A442-Q446 WeakPolarHBondContact O-CB 3.19Å; A442-Q446 PolarHBondContact O-N 3.31Å; Q446-S448 PolarHBondContact O-N 3.25Å; Q446-A449 PolarHBondContact O-N 3Å; Q446-N450 PolarHBondContact NE2-OD1 3.17Å; Q446-N450 WeakPolarHBondContact O-CB 3.39Å; Q446-N450 PolarHBondContact O-N 3.36Å; Q446-N450 PolarHBondContact O-OD1 3.36Å
447V69.8Low66.3Low90 Ų9062 Ų6255%0.54531%0.312SS..Hα-helixtrans-63.9-33.5176.3165.90000111.2L443 L444 K451L443-V447 WeakPolarHBondContact O-CB 3.44Å; L443-V447 VanDerWaalsContact O-CG2 3.27Å; L443-V447 WeakPolarHBondContact O-CG2 3.33Å; L443-V447 PolarHBondContact O-N 3.05Å; L444-V447 PolarHBondContact O-N 3.2Å; V447-K451 WeakPolarHBondContact O-CB 3.24Å; V447-K451 PolarHBondContact O-N 3.43Å
448S67.4Low66.6Low9 Ų961.4 Ų61.46%0.06331%0.313CS..Hα-helixtrans-69.2-43.2175.6-58.70000112.1L444 E445 Q446 K451 N452 N836L444-S448 VanDerWaalsContact O-CB 3.31Å; L444-S448 WeakPolarHBondContact O-CB 3.5Å; L444-S448 PolarHBondContact O-N 3.12Å; L444-S448 PolarHBondContact O-OG 2.85Å; E445-S448 WeakPolarHBondContact O-CB 3.22Å; E445-S448 PolarHBondContact O-N 2.92Å; Q446-S448 PolarHBondContact O-N 3.25Å; S448-K451 PolarHBondContact O-N 3.33Å; S448-N452 VanDerWaalsContact O-CB 3.24Å; S448-N452 WeakPolarHBondContact O-CB 3.45Å; S448-N452 PolarHBondContact O-N 2.9Å; S448-N452 PolarHBondContact O-ND2 3.3Å; S448-N836 WeakPolarHBondContact CB-ND2 3.48Å; S448-N836 PolarHBondContact OG-ND2 3.11Å; S448-N836 PolarHBondContact OG-OD1 2.9Å
449A72Confident66.8Low5 Ų558.5 Ų58.54%0.04130%0.298CS..Hα-helixtrans-62.2-50.1174.300000111.3F421 E445 Q446 K451 N452 E453 I454F421-A449 HydrophobicContact CD2-CB 3.23Å; F421-A449 HydrophobicContact CE2-CB 3.39Å; F421-A449 HydrophobicContact CG-CB 4.01Å; F421-A449 HydrophobicContact CZ-CB 4.28Å; E445-A449 WeakPolarHBondContact O-CB 3.14Å; E445-A449 PolarHBondContact O-N 3.4Å; Q446-A449 PolarHBondContact O-N 3Å; A449-K451 VanDerWaalsContact C-N 3.27Å; A449-K451 PolarHBondContact O-N 2.97Å; A449-N452 CarbonylContact O-C 3.5Å; A449-N452 PolarHBondContact O-N 3.08Å; A449-N452 VanDerWaalsContact O-N 3.15Å; A449-E453 PolarHBondContact O-N 2.87Å; A449-I454 HydrophobicContact CB-CB 4.33Å; A449-I454 PolarHBondContact O-N 3.3Å
450N69.5Low66.8Low63 Ų6360.2 Ų60.234%0.33731%0.307SS..Hα-helixtrans-58.9-37.3177.3-67.7-0.4000112.1D418 Q446D418-N450 PolarHBondContact O-ND2 3.25Å; Q446-N450 PolarHBondContact NE2-OD1 3.17Å; Q446-N450 WeakPolarHBondContact O-CB 3.39Å; Q446-N450 PolarHBondContact O-N 3.36Å; Q446-N450 PolarHBondContact O-OD1 3.36Å
451K68.8Low66.8Low126 Ų12657.9 Ų57.955%0.54830%0.295SS..Hα-helixtrans-74-35.5177.3-178.1-167167.8-148.50113.1V447 S448 A449V447-K451 WeakPolarHBondContact O-CB 3.24Å; V447-K451 PolarHBondContact O-N 3.43Å; S448-K451 PolarHBondContact O-N 3.33Å; A449-K451 VanDerWaalsContact C-N 3.27Å; A449-K451 PolarHBondContact O-N 2.97Å
452N70.7Confident66.7Low89 Ų8955.1 Ų55.148%0.47628%0.283SS..Hα-helixtrans-93.84.2-175.9-64.3-15.7000112.9S448 A449 I454S448-N452 VanDerWaalsContact O-CB 3.24Å; S448-N452 WeakPolarHBondContact O-CB 3.45Å; S448-N452 PolarHBondContact O-N 2.9Å; S448-N452 PolarHBondContact O-ND2 3.3Å; A449-N452 CarbonylContact O-C 3.5Å; A449-N452 PolarHBondContact O-N 3.08Å; A449-N452 VanDerWaalsContact O-N 3.15Å; N452-I454 HydrophobicContact CB-CD1 3.66Å; N452-I454 HydrophobicContact CB-CG1 3.71Å; N452-I454 PolarHBondContact O-N 2.94Å; N452-I454 VanDerWaalsContact O-N 3.17Å
453E67.7Low66.4Low175 Ų17558.2 Ų58.282%0.81830%0.298SS*.THydrogen-bonded Turntrans53.527.7-172.4-60.9178.8179.700113.3A449 L455A449-E453 PolarHBondContact O-N 2.87Å; E453-L455 PolarHBondContact O-N 3.42Å
454I67.4Low65.9Low88 Ų8861.9 Ų61.945%0.45131%0.311SS..PPolyproline II helixtrans-77.7117.3177.2-59.6168.9000107.7F421 A449 N452F421-I454 HydrophobicContact CE2-CG2 3.97Å; F421-I454 WeakPolarHBondContact CE2-O 3.44Å; F421-I454 HydrophobicContact CZ-CG2 3.87Å; A449-I454 HydrophobicContact CB-CB 4.33Å; A449-I454 PolarHBondContact O-N 3.3Å; N452-I454 HydrophobicContact CB-CD1 3.66Å; N452-I454 HydrophobicContact CB-CG1 3.71Å; N452-I454 PolarHBondContact O-N 2.94Å; N452-I454 VanDerWaalsContact O-N 3.17Å
455L63.6Low65.8Low57 Ų5759.7 Ų59.730%0.29830%0.3SS..PPolyproline II helixtrans-76136.1169.4-75.2149.3000109.6E453 A459 L460 E463E453-L455 PolarHBondContact O-N 3.42Å; L455-A459 HydrophobicContact CB-CB 4.21Å; L455-A459 HydrophobicContact CD2-CB 3.73Å; L455-L460 HydrophobicContact CB-CB 4.49Å; L455-L460 HydrophobicContact CB-CD1 4.18Å; L455-L460 HydrophobicContact CD1-CD1 4.39Å; L455-E463 HydrophobicContact CD1-CB 4.41Å; L455-E463 HydrophobicContact CD1-CG 3.95Å
456P62.5Low65.2Low1 Ų162.9 Ų62.91%0.00631%0.313CS..PPolyproline II helixtrans-58.5156.8169.416.2-22.9000110.8R420 F421 E424 A458 A459 L460R420-P456 HydrophobicContact CB-CG 3.6Å; F421-P456 HydrophobicContact CD1-CB 4.46Å; F421-P456 HydrophobicContact CD2-CB 3.74Å; F421-P456 HydrophobicContact CD2-CG 3.96Å; F421-P456 HydrophobicContact CE1-CB 4.46Å; F421-P456 HydrophobicContact CE2-CB 3.75Å; F421-P456 HydrophobicContact CE2-CG 4.18Å; F421-P456 VanDerWaalsContact CE2-N 3.26Å; F421-P456 HydrophobicContact CG-CB 4.13Å; F421-P456 HydrophobicContact CZ-CB 4.12Å; E424-P456 WeakPolarHBondContact OE2-CB 3.19Å; P456-A458 VanDerWaalsContact C-N 3.28Å; P456-A458 PolarHBondContact O-N 3.28Å; P456-A459 HydrophobicContact CG-CB 3.92Å; P456-A459 CarbonylContact O-C 3.51Å; P456-A459 WeakPolarHBondContact O-CA 3.15Å; P456-A459 PolarHBondContact O-N 3.25Å; P456-L460 PolarHBondContact O-N 2.82Å
457Q61.5Low64.6Low92 Ų9268.8 Ų68.843%0.4335%0.345SS..Hα-helixtrans-61.3-42.1-166.7-165.5154.4-6100111.4A459 L460 I461 N1288Q457-A459 VanDerWaalsContact C-N 3.34Å; Q457-A459 PolarHBondContact O-N 2.86Å; Q457-L460 PolarHBondContact O-N 3.08Å; Q457-I461 WeakPolarHBondContact O-CG1 3.22Å; Q457-I461 PolarHBondContact O-N 2.81Å; Q457-N1288 PolarHBondContact NE2-ND2 2.87Å; Q457-N1288 PolarHBondContact OE1-ND2 2.9Å
458A58.5Low64.5Low23 Ų2370.3 Ų70.319%0.1935%0.349CS..Hα-helixtrans-36.7-55.7159.400000115.3P456 I461 D462 R476P456-A458 VanDerWaalsContact C-N 3.28Å; P456-A458 PolarHBondContact O-N 3.28Å; A458-I461 PolarHBondContact O-N 2.57Å; A458-D462 VanDerWaalsContact O-CG 3.3Å; A458-D462 PolarHBondContact O-N 3.36Å; A458-R476 PolarHBondContact O-NH1 3.27Å
459A64.1Low64.2Low1 Ų173.1 Ų73.11%0.00838%0.38CS..Hα-helixtrans-83.2-21.4-173.800000113.7L455 P456 Q457 D462 E463L455-A459 HydrophobicContact CB-CB 4.21Å; L455-A459 HydrophobicContact CD2-CB 3.73Å; P456-A459 HydrophobicContact CG-CB 3.92Å; P456-A459 CarbonylContact O-C 3.51Å; P456-A459 WeakPolarHBondContact O-CA 3.15Å; P456-A459 PolarHBondContact O-N 3.25Å; Q457-A459 VanDerWaalsContact C-N 3.34Å; Q457-A459 PolarHBondContact O-N 2.86Å; A459-D462 PolarHBondContact O-N 2.96Å; A459-E463 PolarHBondContact O-N 3.47Å
460L64.1Low63.4Low93 Ų9378.3 Ų78.349%0.48740%0.402SS..Hα-helixtrans-66.8-32.1170.2-159.278.8000110.9L455 P456 Q457 K464L455-L460 HydrophobicContact CB-CB 4.49Å; L455-L460 HydrophobicContact CB-CD1 4.18Å; L455-L460 HydrophobicContact CD1-CD1 4.39Å; P456-L460 PolarHBondContact O-N 2.82Å; Q457-L460 PolarHBondContact O-N 3.08Å; L460-K464 WeakPolarHBondContact O-CG 3.12Å; L460-K464 PolarHBondContact O-N 3.07Å
461I59.9Low62.9Low40 Ų4079 Ų7921%0.20541%0.405CS..Hα-helixtrans-70.3-47.1169.9-58.4158.8000110.2Q457 A458 E463 K464 A465 A475 A479Q457-I461 WeakPolarHBondContact O-CG1 3.22Å; Q457-I461 PolarHBondContact O-N 2.81Å; A458-I461 PolarHBondContact O-N 2.57Å; I461-E463 VanDerWaalsContact C-N 3.27Å; I461-E463 PolarHBondContact O-N 2.8Å; I461-K464 PolarHBondContact O-N 3.14Å; I461-A465 WeakPolarHBondContact O-CB 3.46Å; I461-A465 PolarHBondContact O-N 3.07Å; I461-A475 HydrophobicContact CG2-CB 4.37Å; I461-A475 VanDerWaalsContact CG2-O 3.28Å; I461-A475 WeakPolarHBondContact CG2-O 3.48Å; I461-A479 HydrophobicContact CD1-CB 3.93Å; I461-A479 HydrophobicContact CG1-CB 4.07Å; I461-A479 HydrophobicContact CG2-CB 3.68Å
462D62.4Low62.1Low32 Ų3274.8 Ų74.817%0.17139%0.391CS..Hα-helixtrans-57.9-34.7177.8-59.4-27.2000113.1A458 A459 A465 K466 P472 R476A458-D462 VanDerWaalsContact O-CG 3.3Å; A458-D462 PolarHBondContact O-N 3.36Å; A459-D462 PolarHBondContact O-N 2.96Å; D462-A465 WeakPolarHBondContact O-CB 3.39Å; D462-K466 PolarHBondContact O-N 3.35Å; D462-P472 HydrophobicContact CB-CB 3.94Å; D462-R476 IonicContact OD1-NH1 3.46Å; D462-R476 PolarHBondContact OD1-NH1 2.63Å; D462-R476 IonicContact OD2-NH1 3.99Å; D462-R476 PolarHBondContact OD2-NH1 2.62Å
463E63.7Low61.5Low65 Ų6575.6 Ų75.630%0.30440%0.395SS..Hα-helixtrans-77.5-38.9175.2-85.9-61.912800113.1L455 A459 I461 A465 K466 N467L455-E463 HydrophobicContact CD1-CB 4.41Å; L455-E463 HydrophobicContact CD1-CG 3.95Å; A459-E463 PolarHBondContact O-N 3.47Å; I461-E463 VanDerWaalsContact C-N 3.27Å; I461-E463 PolarHBondContact O-N 2.8Å; E463-A465 VanDerWaalsContact C-N 3.26Å; E463-A465 PolarHBondContact O-N 2.94Å; E463-K466 PolarHBondContact O-N 3.09Å; E463-K466 WeakPolarHBondContact OE1-CD 3.46Å; E463-K466 IonicContact OE1-NZ 2.83Å; E463-K466 PolarHBondContact OE1-NZ 3.13Å; E463-N467 PolarHBondContact O-N 3.37Å; E463-N467 VanDerWaalsContact O-N 3.08Å; E463-N467 PolarHBondContact O-ND2 3.15Å; E463-N467 PolarHBondContact OE2-ND2 3.35Å
464K59.9Low60.9Low140 Ų14071.7 Ų71.761%0.60938%0.379SS*.Hα-helixtrans-56.5-45.8169.5-78.3-178.6176.2-176.40110.7L460 I461 K466 N467 D468L460-K464 WeakPolarHBondContact O-CG 3.12Å; L460-K464 PolarHBondContact O-N 3.07Å; I461-K464 PolarHBondContact O-N 3.14Å; K464-K466 PolarHBondContact O-N 3.46Å; K464-N467 PolarHBondContact O-N 2.97Å; K464-N467 VanDerWaalsContact O-N 3.15Å; K464-D468 PolarHBondContact O-N 3.48Å
465A60.3Low60.2Low2 Ų268 Ų682%0.01736%0.361CS..Hα-helixtrans-48.2-57.1175.500000112.1I461 D462 E463 N467 D468 G469 F470 P472 A475I461-A465 WeakPolarHBondContact O-CB 3.46Å; I461-A465 PolarHBondContact O-N 3.07Å; D462-A465 WeakPolarHBondContact O-CB 3.39Å; E463-A465 VanDerWaalsContact C-N 3.26Å; E463-A465 PolarHBondContact O-N 2.94Å; A465-N467 PolarHBondContact O-N 3.34Å; A465-D468 CarbonylContact O-C 3.52Å; A465-D468 PolarHBondContact O-N 3.33Å; A465-G469 CarbonylContact O-C 3.58Å; A465-G469 PolarHBondContact O-N 3.39Å; A465-F470 CarbonylContact C-O 3.56Å; A465-F470 HydrophobicContact CB-CB 4.35Å; A465-F470 PolarHBondContact O-N 2.9Å; A465-P472 HydrophobicContact CB-CB 4.45Å; A465-P472 HydrophobicContact CB-CG 4.35Å; A465-A475 HydrophobicContact CB-CB 3.17Å
466K59.4Low59.7Low128 Ų12869.9 Ų69.956%0.55737%0.365SS*.Hα-helixtrans-59.6-42.1-180-80.6167.8170.2173.50113.3D462 E463 K464 G469 P472D462-K466 PolarHBondContact O-N 3.35Å; E463-K466 PolarHBondContact O-N 3.09Å; E463-K466 WeakPolarHBondContact OE1-CD 3.46Å; E463-K466 IonicContact OE1-NZ 2.83Å; E463-K466 PolarHBondContact OE1-NZ 3.13Å; K464-K466 PolarHBondContact O-N 3.46Å; K466-G469 PolarHBondContact O-N 3.15Å; K466-P472 HydrophobicContact CG-CG 4.37Å
467N62.9Low58.9Low126 Ų12674.1 Ų74.167%0.67439%0.387SS*.Hα-helixtrans-69.4-34.9-176.8-76.3-72.9000111.8E463 K464 A465E463-N467 PolarHBondContact O-N 3.37Å; E463-N467 VanDerWaalsContact O-N 3.08Å; E463-N467 PolarHBondContact O-ND2 3.15Å; E463-N467 PolarHBondContact OE2-ND2 3.35Å; K464-N467 PolarHBondContact O-N 2.97Å; K464-N467 VanDerWaalsContact O-N 3.15Å; A465-N467 PolarHBondContact O-N 3.34Å
468D67.6Low58Low121 Ų12172 Ų7265%0.64738%0.378SS*.Hα-helixtrans-88.6-2.6174.1-65.3-46.2000113.5K464 A465 F470K464-D468 PolarHBondContact O-N 3.48Å; A465-D468 CarbonylContact O-C 3.52Å; A465-D468 PolarHBondContact O-N 3.33Å; D468-F470 HydrophobicContact CB-CD2 3.75Å; D468-F470 HydrophobicContact CB-CE2 3.83Å
469G60.9Low57.2Low69 Ų6973.4 Ų73.471%0.71139%0.39SS*.THydrogen-bonded Turntrans86.111.4174.600000115.9A465 K466A465-G469 CarbonylContact O-C 3.58Å; A465-G469 PolarHBondContact O-N 3.39Å; K466-G469 PolarHBondContact O-N 3.15Å
470F55.8Low56.1Low113 Ų11379.8 Ų79.850%0.49642%0.424SS..  trans-83.8154.7174.2-60.7-73.3000112.5A465 D468 A475A465-F470 CarbonylContact C-O 3.56Å; A465-F470 HydrophobicContact CB-CB 4.35Å; A465-F470 PolarHBondContact O-N 2.9Å; D468-F470 HydrophobicContact CB-CD2 3.75Å; D468-F470 HydrophobicContact CB-CE2 3.83Å; F470-A475 HydrophobicContact CB-CB 4.3Å
471D60Low54.8Low77 Ų7782 Ų8241%0.41243%0.431SS..  trans-67.1128.4168.6-176.2-39000109.2L473 I474 A475D471-L473 VanDerWaalsContact C-N 3.27Å; D471-L473 PolarHBondContact O-N 2.88Å; D471-L473 PolarHBondContact OD1-N 3.27Å; D471-I474 HydrophobicContact CB-CB 4.09Å; D471-I474 HydrophobicContact CB-CD1 3.87Å; D471-I474 HydrophobicContact CB-CG1 3.87Å; D471-I474 PolarHBondContact O-N 3.19Å; D471-A475 PolarHBondContact O-N 3.09Å
472P52.3Low53.3Low39 Ų3987.6 Ų87.625%0.25346%0.457SS..Hα-helixtrans-49.2-41.8176.8-31.537.9000114.7D462 A465 K466 I474 A475 R476D462-P472 HydrophobicContact CB-CB 3.94Å; A465-P472 HydrophobicContact CB-CB 4.45Å; A465-P472 HydrophobicContact CB-CG 4.35Å; K466-P472 HydrophobicContact CG-CG 4.37Å; P472-I474 VanDerWaalsContact C-N 3.32Å; P472-I474 PolarHBondContact O-N 2.84Å; P472-A475 PolarHBondContact O-N 3.5Å; P472-R476 VanDerWaalsContact O-CB 3.31Å; P472-R476 WeakPolarHBondContact O-CB 3.38Å; P472-R476 PolarHBondContact O-N 3.42Å
473L56.5Low51.6Low105 Ų10594 Ų9455%0.5549%0.49SS..Hα-helixtrans-64.1-40.5177.7-112.585.4000111.6D471 N477D471-L473 VanDerWaalsContact C-N 3.27Å; D471-L473 PolarHBondContact O-N 2.88Å; D471-L473 PolarHBondContact OD1-N 3.27Å; L473-N477 PolarHBondContact O-N 3.33Å; L473-N477 PolarHBondContact O-OD1 3.1Å
474I55.1Low49.6Very low93 Ų9396.5 Ų96.548%0.47752%0.515SS..Hα-helixtrans-70.3-41.6179.3-59.8-179.9000109.8D471 P472 R476 N477 I478D471-I474 HydrophobicContact CB-CB 4.09Å; D471-I474 HydrophobicContact CB-CD1 3.87Å; D471-I474 HydrophobicContact CB-CG1 3.87Å; D471-I474 PolarHBondContact O-N 3.19Å; P472-I474 VanDerWaalsContact C-N 3.32Å; P472-I474 PolarHBondContact O-N 2.84Å; I474-R476 VanDerWaalsContact C-N 3.33Å; I474-R476 PolarHBondContact O-N 3.14Å; I474-N477 CarbonylContact O-C 3.42Å; I474-N477 PolarHBondContact O-N 2.67Å; I474-I478 HydrophobicContact CG2-CD1 3.71Å; I474-I478 HydrophobicContact CG2-CG1 4.21Å; I474-I478 WeakPolarHBondContact O-CG1 3.41Å; I474-I478 PolarHBondContact O-N 3.13Å
475A54.1Low47.7Very low10 Ų1098.8 Ų98.88%0.08353%0.528CS..Hα-helixtrans-68.7-29.617700000113.5I461 A465 F470 D471 P472 N477 I478 A479I461-A475 HydrophobicContact CG2-CB 4.37Å; I461-A475 VanDerWaalsContact CG2-O 3.28Å; I461-A475 WeakPolarHBondContact CG2-O 3.48Å; A465-A475 HydrophobicContact CB-CB 3.17Å; F470-A475 HydrophobicContact CB-CB 4.3Å; D471-A475 PolarHBondContact O-N 3.09Å; P472-A475 PolarHBondContact O-N 3.5Å; A475-N477 VanDerWaalsContact C-N 3.31Å; A475-I478 PolarHBondContact O-N 2.98Å; A475-A479 VanDerWaalsContact O-CB 3.29Å; A475-A479 WeakPolarHBondContact O-CB 3.32Å; A475-A479 PolarHBondContact O-N 3Å
476R51.6Low45.8Very low98 Ų98106.7 Ų106.737%0.3756%0.564SS.*Hα-helixtrans-66-35.5171.7-152.5-175.8-162.7107.3-20.7111.7A458 D462 P472 I474 N480A458-R476 PolarHBondContact O-NH1 3.27Å; D462-R476 IonicContact OD1-NH1 3.46Å; D462-R476 PolarHBondContact OD1-NH1 2.63Å; D462-R476 IonicContact OD2-NH1 3.99Å; D462-R476 PolarHBondContact OD2-NH1 2.62Å; P472-R476 VanDerWaalsContact O-CB 3.31Å; P472-R476 WeakPolarHBondContact O-CB 3.38Å; P472-R476 PolarHBondContact O-N 3.42Å; I474-R476 VanDerWaalsContact C-N 3.33Å; I474-R476 PolarHBondContact O-N 3.14Å; R476-N480 PolarHBondContact O-ND2 2.79Å
477N46.2Very low43.9Very low90 Ų90108.6 Ų108.648%0.48158%0.577SS.*Hα-helixtrans-75-44.3171.8-64.2-3.1000111.2L473 I474 A475 A479 N480 E481L473-N477 PolarHBondContact O-N 3.33Å; L473-N477 PolarHBondContact O-OD1 3.1Å; I474-N477 CarbonylContact O-C 3.42Å; I474-N477 PolarHBondContact O-N 2.67Å; A475-N477 VanDerWaalsContact C-N 3.31Å; N477-A479 PolarHBondContact O-N 3.24Å; N477-N480 CarbonylContact O-C 3.59Å; N477-N480 WeakPolarHBondContact O-CA 3.46Å; N477-N480 WeakPolarHBondContact O-CB 3.42Å; N477-N480 PolarHBondContact O-N 2.92Å; N477-E481 PolarHBondContact O-N 3.48Å
478I42.7Very low42.1Very low48 Ų48107.2 Ų107.225%0.24658%0.575CS.*Hα-helixtrans-62.3-38.9177-69.6172.9000111.3I474 A475 N480 E481 E482I474-I478 HydrophobicContact CG2-CD1 3.71Å; I474-I478 HydrophobicContact CG2-CG1 4.21Å; I474-I478 WeakPolarHBondContact O-CG1 3.41Å; I474-I478 PolarHBondContact O-N 3.13Å; A475-I478 PolarHBondContact O-N 2.98Å; I478-N480 PolarHBondContact O-N 3.15Å; I478-E481 CarbonylContact O-C 3.6Å; I478-E481 PolarHBondContact O-N 3.03Å; I478-E482 HydrophobicContact CG2-CB 3.87Å; I478-E482 HydrophobicContact CG2-CG 3.96Å; I478-E482 VanDerWaalsContact O-CB 3.3Å; I478-E482 WeakPolarHBondContact O-CB 3.35Å; I478-E482 PolarHBondContact O-N 3.25Å
479A42.9Very low39.8Very low52 Ų52108.6 Ų108.643%0.4358%0.582SS.*Hα-helixtrans-60-19.2173.400000113.3I461 A475 N477I461-A479 HydrophobicContact CD1-CB 3.93Å; I461-A479 HydrophobicContact CG1-CB 4.07Å; I461-A479 HydrophobicContact CG2-CB 3.68Å; A475-A479 VanDerWaalsContact O-CB 3.29Å; A475-A479 WeakPolarHBondContact O-CB 3.32Å; A475-A479 PolarHBondContact O-N 3Å; N477-A479 PolarHBondContact O-N 3.24Å
480N39.4Very low37.8Very low135 Ų135112.9 Ų112.972%0.72258%0.583SS**Hα-helixtrans-98.7-12.5171.8-57.2-23.4000113.2R476 N477 I478R476-N480 PolarHBondContact O-ND2 2.79Å; N477-N480 CarbonylContact O-C 3.59Å; N477-N480 WeakPolarHBondContact O-CA 3.46Å; N477-N480 WeakPolarHBondContact O-CB 3.42Å; N477-N480 PolarHBondContact O-N 2.92Å; I478-N480 PolarHBondContact O-N 3.15Å
481E37.9Very low36.1Very low138 Ų138118 Ų11865%0.64560%0.599SS**Hα-helixtrans-118.6-9.8-174.7-71.6-172.3128.400115.2N477 I478 L483N477-E481 PolarHBondContact O-N 3.48Å; I478-E481 CarbonylContact O-C 3.6Å; I478-E481 PolarHBondContact O-N 3.03Å; E481-L483 PolarHBondContact O-N 2.73Å
482E28.4Very low34.1Very low159 Ų159123.7 Ų123.774%0.74362%0.62SS**  trans-71.820.9-173.7-148.8164.9-140.300113.8I478I478-E482 HydrophobicContact CG2-CB 3.87Å; I478-E482 HydrophobicContact CG2-CG 3.96Å; I478-E482 VanDerWaalsContact O-CB 3.3Å; I478-E482 WeakPolarHBondContact O-CB 3.35Å; I478-E482 PolarHBondContact O-N 3.25Å
483L25.6Very low32.6Very low167 Ų167127.1 Ų127.187%0.87465%0.645SS**SBendtrans-121.351171-73.3174.6000111.6E481E481-L483 PolarHBondContact O-N 2.73Å
484S23Very low30.9Very low117 Ų117128.2 Ų128.282%0.81866%0.656SS**SBendtrans172.1125.4143-77.30000112.5
485E18.8Very low29.2Very low188 Ų188131.2 Ų131.288%0.87967%0.673SS**  trans-82.7142.2-172.8-57.3156.8114.400114
486E21.2Very low27.7Very low168 Ų168136.5 Ų136.579%0.78571%0.709SS**  159.193.7128.9-85.4-92.7124.600115.1
487M19.3Very low26.2Very low167 Ų167139.8 Ų139.882%0.82373%0.733SS**  trans67160.6135.2-84.1-168.443.300122.9
488P25.9Very low25.1Very low97 Ų97143.4 Ų143.463%0.6375%0.752SS**  trans-133.6-174.5-137.140.8-22.2000116.8
489L19.2Very low24.1Very low151 Ų151148.7 Ų148.779%0.79178%0.78SS**  163.4115.8126.5-85.5165000116.8
490H18.5Very low23.1Very low159 Ų159153.2 Ų153.274%0.73680%0.803SS**  63122.9126.6-112.3-21.1000125.5
491R19.6Very low22.3Very low220 Ų220151.3 Ų151.383%0.8380%0.8SS**  trans119.3101.4134.1-69.5178.5-178.1-178.13121
492K18.6Very low21.8Very low196 Ų196150.2 Ų150.285%0.85281%0.805SS**  21.2133.7124.6-53.6-179.9178.5-173.40120
493S20Very low21.7Very low112 Ų112151 Ų15178%0.78381%0.806SS**  169.4160.192.163.20000117.1
494V20.7Very low22Very low127 Ų127148.9 Ų148.977%0.7779%0.794SS**  trans68.398.3160.4-161.10000122
495N20Very low22.4Very low156 Ų156146.1 Ų146.183%0.83477%0.77SS**  trans5.8131.5137.8-48.43.8000121.2
496S21.4Very low23.1Very low122 Ų122139.3 Ų139.385%0.85374%0.739SS**  trans-143.4167.4135.776.10000110.5
497L21.7Very low23.7Very low167 Ų167133.9 Ų133.987%0.87471%0.714SS**  trans-129.6114.6-167.2-75.6158.4000112.2
498L23.1Very low24.6Very low165 Ų165130.2 Ų130.286%0.86470%0.702SS**  trans-141.1147.4156.9-77.6-178.3000110.2
499N21.6Very low25.2Very low159 Ų159132 Ų13285%0.8570%0.698SS**  trans-85151.6-172.5-76.5-36.3000113S501N499-S501 PolarHBondContact O-N 3.42Å
500T21.2Very low26.2Very low147 Ų147126.9 Ų126.990%0.90267%0.671SS**  trans-57.7127.9174.235.70000113.2
501S22.8Very low27.2Very low96 Ų96123.1 Ų123.167%0.67165%0.654SS**  trans-139.4148.6156.176.80000109N499N499-S501 PolarHBondContact O-N 3.42Å
502P26.6Very low28.3Very low114 Ų114117.8 Ų117.874%0.7464%0.642SS**  trans-67.3155.9-169.4-21.834.8000114.6I504P502-I504 PolarHBondContact O-N 3Å
503F27.6Very low29.3Very low177 Ų177113.4 Ų113.478%0.77662%0.62SS**  trans-44.7118.2-177.1-57.8-90.4000114.3I505F503-I505 PolarHBondContact O-N 2.99Å
504I30.7Very low30Very low121 Ų121111.4 Ų111.462%0.62160%0.595SS**  trans-89.399.4175.7-57.1178.5000109.1P502P502-I504 PolarHBondContact O-N 3Å
505I31.6Very low31.1Very low60 Ų60109 Ų10931%0.30858%0.575SS.*PPolyproline II helixtrans-79.8118.8167.5-59.2176000108.3F503 K597F503-I505 PolarHBondContact O-N 2.99Å; I505-K597 HydrophobicContact CD1-CD 4Å
506L33.8Very low32.1Very low44 Ų44106.3 Ų106.323%0.2356%0.564CS.*PPolyproline II helixtrans-82.3121.6173.3-76.2159.4000109.8R513 L517L506-R513 HydrophobicContact CD2-CB 3.64Å; L506-L517 HydrophobicContact CD1-CD1 3.86Å; L506-L517 HydrophobicContact CD2-CD1 4.04Å; L506-L517 HydrophobicContact CG-CD1 4.44Å
507H33.9Very low32.9Very low54 Ų54104.1 Ų104.125%0.2554%0.542CS..PPolyproline II helixtrans-71.6135.5171.3-170.1-100.4000109.2Y509 D510 F594H507-Y509 AromaticContact CE1-CD2 3.72Å; H507-Y509 PolarHBondContact O-N 3.24Å; H507-D510 HydrophobicContact CB-CB 4.47Å; H507-D510 PolarHBondContact O-N 3.25Å; H507-F594 AromaticContact CD2-CE2 3.82Å
508P37.7Very low33.8Very low90 Ų9097.2 Ų97.258%0.58451%0.505SS*.THydrogen-bonded Turntrans-65.5-4.5-172.424.2-34.2000115.4
509Y39.4Very low34.6Very low136 Ų13693.8 Ų93.853%0.53349%0.492SS..THydrogen-bonded Turntrans-107.11.5174.2-67.9-90.6000113.9H507 E511 F690H507-Y509 AromaticContact CE1-CD2 3.72Å; H507-Y509 PolarHBondContact O-N 3.24Å; Y509-E511 VanDerWaalsContact C-N 3.3Å; Y509-E511 PolarHBondContact O-N 2.92Å; Y509-E511 VanDerWaalsContact O-N 3.09Å; Y509-F690 WeakPolarHBondContact OH-CD1 3.24Å; Y509-F690 WeakPolarHBondContact OH-CD2 3.49Å; Y509-F690 WeakPolarHBondContact OH-CE1 3.41Å; Y509-F690 WeakPolarHBondContact OH-CG 3.43Å
510D40.7Very low35.4Very low43 Ų4391.9 Ų91.923%0.2349%0.486CS..  trans-86.869.9178.4-164.2-15.1000111.4H507 N512 R513 Y514H507-D510 HydrophobicContact CB-CB 4.47Å; H507-D510 PolarHBondContact O-N 3.25Å; D510-N512 PolarHBondContact O-N 2.93Å; D510-N512 PolarHBondContact OD1-N 3.2Å; D510-R513 HydrophobicContact CB-CB 4.46Å; D510-R513 PolarHBondContact O-N 2.86Å; D510-R513 PolarHBondContact OD1-N 2.89Å; D510-R513 WeakPolarHBondContact OD2-CD 3.32Å; D510-R513 WeakPolarHBondContact OD2-CG 3.48Å; D510-R513 IonicContact OD2-CZ 2.83Å; D510-R513 IonicContact OD2-NE 2.8Å; D510-R513 PolarHBondContact OD2-NE 2.95Å; D510-Y514 PolarHBondContact O-N 2.89Å
511E39.7Very low36.1Very low79 Ų7992.3 Ų92.337%0.36948%0.478SS..Hα-helixtrans-51.2-34.3171-91.6-144.8130.100112.3Y509 Y514 K515Y509-E511 VanDerWaalsContact C-N 3.3Å; Y509-E511 PolarHBondContact O-N 2.92Å; Y509-E511 VanDerWaalsContact O-N 3.09Å; E511-Y514 PolarHBondContact O-N 3.07Å; E511-K515 VanDerWaalsContact O-CB 3.24Å; E511-K515 WeakPolarHBondContact O-CB 3.48Å; E511-K515 VanDerWaalsContact O-CG 3.24Å; E511-K515 WeakPolarHBondContact O-CG 3.35Å; E511-K515 PolarHBondContact O-N 3.34Å; E511-K515 WeakPolarHBondContact OE1-CE 3.5Å; E511-K515 IonicContact OE1-NZ 3.68Å; E511-K515 PolarHBondContact OE1-NZ 2.81Å; E511-K515 IonicContact OE2-NZ 2.85Å; E511-K515 PolarHBondContact OE2-NZ 2.92Å
512N40.7Very low37Very low108 Ų10894.7 Ų94.758%0.57848%0.483SS*.Hα-helixtrans-71.2-43.7-174.5-72.3-39.2000110.8D510 T516D510-N512 PolarHBondContact O-N 2.93Å; D510-N512 PolarHBondContact OD1-N 3.2Å; N512-T516 WeakPolarHBondContact O-CB 3.26Å; N512-T516 PolarHBondContact O-N 2.85Å; N512-T516 PolarHBondContact O-OG1 2.78Å
513R40.2Very low37.4Very low104 Ų10491.5 Ų91.539%0.39246%0.461SS..Hα-helixtrans-70.3-36.5173.1-70.2-173.9-172166.23112.1L506 D510 T516 L517L506-R513 HydrophobicContact CD2-CB 3.64Å; D510-R513 HydrophobicContact CB-CB 4.46Å; D510-R513 PolarHBondContact O-N 2.86Å; D510-R513 PolarHBondContact OD1-N 2.89Å; D510-R513 WeakPolarHBondContact OD2-CD 3.32Å; D510-R513 WeakPolarHBondContact OD2-CG 3.48Å; D510-R513 IonicContact OD2-CZ 2.83Å; D510-R513 IonicContact OD2-NE 2.8Å; D510-R513 PolarHBondContact OD2-NE 2.95Å; R513-T516 PolarHBondContact O-N 2.92Å; R513-L517 WeakPolarHBondContact O-CB 3.33Å; R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 2.78Å
514Y35.7Very low37.9Very low70 Ų7091.4 Ų91.428%0.27546%0.463SS..Hα-helixtrans-60.4-52.9174.4-150.5-80.1000111D510 E511 T516 L517 F518 E533D510-Y514 PolarHBondContact O-N 2.89Å; E511-Y514 PolarHBondContact O-N 3.07Å; Y514-T516 PolarHBondContact O-N 2.96Å; Y514-L517 PolarHBondContact O-N 3.46Å; Y514-F518 AromaticContact CD1-CD2 3.46Å; Y514-F518 HydrophobicContact CD1-CD2 3.46Å; Y514-F518 VanDerWaalsContact CD1-CD2 3.46Å; Y514-F518 AromaticContact CD1-CE2 3.93Å; Y514-F518 HydrophobicContact CD1-CE2 3.93Å; Y514-F518 HydrophobicContact CD2-CD2 4.48Å; Y514-F518 HydrophobicContact CD2-CE2 4.16Å; Y514-F518 AromaticContact CE1-CD2 3.33Å; Y514-F518 HydrophobicContact CE1-CD2 3.33Å; Y514-F518 AromaticContact CE1-CE2 3.61Å; Y514-F518 HydrophobicContact CE1-CE2 3.61Å; Y514-F518 HydrophobicContact CE1-CG 4.32Å; Y514-F518 HydrophobicContact CE2-CD2 4.41Å; Y514-F518 AromaticContact CE2-CE2 3.89Å; Y514-F518 HydrophobicContact CE2-CE2 3.89Å; Y514-F518 HydrophobicContact CG-CD2 4.03Å; Y514-F518 HydrophobicContact CG-CE2 4.17Å; Y514-F518 AromaticContact CZ-CD2 3.84Å; Y514-F518 AromaticContact CZ-CE2 3.57Å; Y514-F518 WeakPolarHBondContact O-CD2 3.13Å; Y514-F518 PolarHBondContact O-N 3.05Å; Y514-F518 VanDerWaalsContact O-N 3.09Å; Y514-E533 PolarHBondContact OH-OE1 2.95Å
515K42.2Very low38.2Very low76 Ų7688.9 Ų88.933%0.3345%0.451SS..Hα-helixtrans-59.6-44.9175.3-71168.5-177.8172.60111.4E511 L517 F518 T519E511-K515 VanDerWaalsContact O-CB 3.24Å; E511-K515 WeakPolarHBondContact O-CB 3.48Å; E511-K515 VanDerWaalsContact O-CG 3.24Å; E511-K515 WeakPolarHBondContact O-CG 3.35Å; E511-K515 PolarHBondContact O-N 3.34Å; E511-K515 WeakPolarHBondContact OE1-CE 3.5Å; E511-K515 IonicContact OE1-NZ 3.68Å; E511-K515 PolarHBondContact OE1-NZ 2.81Å; E511-K515 IonicContact OE2-NZ 2.85Å; E511-K515 PolarHBondContact OE2-NZ 2.92Å; K515-L517 VanDerWaalsContact C-N 3.29Å; K515-L517 PolarHBondContact O-N 3.45Å; K515-F518 PolarHBondContact O-N 2.9Å; K515-T519 HydrophobicContact CB-CG2 4.16Å; K515-T519 HydrophobicContact CG-CG2 4.36Å; K515-T519 WeakPolarHBondContact O-CB 3.29Å; K515-T519 WeakPolarHBondContact O-CG2 3.4Å; K515-T519 PolarHBondContact O-N 2.95Å; K515-T519 PolarHBondContact O-OG1 3.2Å
516T40.9Very low38.4Very low100 Ų10092.6 Ų92.661%0.61347%0.471SS*.Hα-helixtrans-59.9-35.6179-57.60000113.2N512 R513 Y514N512-T516 WeakPolarHBondContact O-CB 3.26Å; N512-T516 PolarHBondContact O-N 2.85Å; N512-T516 PolarHBondContact O-OG1 2.78Å; R513-T516 PolarHBondContact O-N 2.92Å; Y514-T516 PolarHBondContact O-N 2.96Å
517L39.6Very low38.7Very low76 Ų7696.3 Ų96.340%0.39849%0.488SS..Hα-helixtrans-75.2-39.8177-72.8167.3000112.5L506 R513 Y514 K515L506-L517 HydrophobicContact CD1-CD1 3.86Å; L506-L517 HydrophobicContact CD2-CD1 4.04Å; L506-L517 HydrophobicContact CG-CD1 4.44Å; R513-L517 WeakPolarHBondContact O-CB 3.33Å; R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 2.78Å; Y514-L517 PolarHBondContact O-N 3.46Å; K515-L517 VanDerWaalsContact C-N 3.29Å; K515-L517 PolarHBondContact O-N 3.45Å
518F40.9Very low39.3Very low22 Ų2299.1 Ų99.110%0.09650%0.501CS..Hα-helixtrans-108.2-8.4-167-58.9-63.4000116.2Y514 K515 E533 L536Y514-F518 AromaticContact CD1-CD2 3.46Å; Y514-F518 HydrophobicContact CD1-CD2 3.46Å; Y514-F518 VanDerWaalsContact CD1-CD2 3.46Å; Y514-F518 AromaticContact CD1-CE2 3.93Å; Y514-F518 HydrophobicContact CD1-CE2 3.93Å; Y514-F518 HydrophobicContact CD2-CD2 4.48Å; Y514-F518 HydrophobicContact CD2-CE2 4.16Å; Y514-F518 AromaticContact CE1-CD2 3.33Å; Y514-F518 HydrophobicContact CE1-CD2 3.33Å; Y514-F518 AromaticContact CE1-CE2 3.61Å; Y514-F518 HydrophobicContact CE1-CE2 3.61Å; Y514-F518 HydrophobicContact CE1-CG 4.32Å; Y514-F518 HydrophobicContact CE2-CD2 4.41Å; Y514-F518 AromaticContact CE2-CE2 3.89Å; Y514-F518 HydrophobicContact CE2-CE2 3.89Å; Y514-F518 HydrophobicContact CG-CD2 4.03Å; Y514-F518 HydrophobicContact CG-CE2 4.17Å; Y514-F518 AromaticContact CZ-CD2 3.84Å; Y514-F518 AromaticContact CZ-CE2 3.57Å; Y514-F518 WeakPolarHBondContact O-CD2 3.13Å; Y514-F518 PolarHBondContact O-N 3.05Å; Y514-F518 VanDerWaalsContact O-N 3.09Å; K515-F518 PolarHBondContact O-N 2.9Å; F518-E533 HydrophobicContact CD1-CG 3.86Å; F518-E533 HydrophobicContact CE1-CB 4.42Å; F518-E533 HydrophobicContact CE1-CG 3.71Å; F518-E533 HydrophobicContact CZ-CG 4.3Å; F518-L536 HydrophobicContact CD1-CD2 4.47Å; F518-L536 HydrophobicContact CE1-CD2 3.65Å; F518-L536 HydrophobicContact CZ-CD2 4.15Å
519T40.2Very low39.6Very low94 Ų9498 Ų9858%0.57749%0.489SS*.  trans-110.421-176.478.10000114.8K515 Q521K515-T519 HydrophobicContact CB-CG2 4.16Å; K515-T519 HydrophobicContact CG-CG2 4.36Å; K515-T519 WeakPolarHBondContact O-CB 3.29Å; K515-T519 WeakPolarHBondContact O-CG2 3.4Å; K515-T519 PolarHBondContact O-N 2.95Å; K515-T519 PolarHBondContact O-OG1 3.2Å; T519-Q521 VanDerWaalsContact C-N 3.27Å; T519-Q521 PolarHBondContact O-N 3.37Å
520T36.6Very low39.6Very low118 Ų11893.5 Ų93.572%0.72447%0.474SS*.SBendtrans-77.3-7.7-179.651.70000114.5
521Q37.7Very low39.9Very low157 Ų15796 Ų9673%0.73449%0.487SS*.SBendtrans-130.6145.1164.3-63.3-167.49.200110.6T519 V523T519-Q521 VanDerWaalsContact C-N 3.27Å; T519-Q521 PolarHBondContact O-N 3.37Å; Q521-V523 HydrophobicContact CB-CG2 4.21Å; Q521-V523 PolarHBondContact O-N 2.9Å
522N40Very low40.3Very low145 Ų14594.4 Ų94.478%0.77549%0.485SS*.  trans-81.367.9-174.5-173.915.9000111Q524N522-Q524 PolarHBondContact O-N 2.69Å
523V35.8Very low40.2Very low48 Ų4890.3 Ų90.329%0.29146%0.462SS..  trans-80112.7-174.8172.60000110Q521 N525 E528 L529Q521-V523 HydrophobicContact CB-CG2 4.21Å; Q521-V523 PolarHBondContact O-N 2.9Å; V523-N525 VanDerWaalsContact CG1-O 3.31Å; V523-N525 WeakPolarHBondContact CG1-O 3.44Å; V523-E528 HydrophobicContact CG1-CB 3.38Å; V523-L529 HydrophobicContact CG1-CB 4.44Å
524Q37.7Very low40.5Very low174 Ų17487.9 Ų87.981%0.81346%0.457SS*.  trans-91.42.3-178.6-72.3-76.6-60.100113.4N522N522-Q524 PolarHBondContact O-N 2.69Å
525N37.3Very low41.3Very low68 Ų6889 Ų8936%0.36447%0.467SS..  trans-117.9122.9178.1-175.14.4000110.8V523 E527 E528 L529V523-N525 VanDerWaalsContact CG1-O 3.31Å; V523-N525 WeakPolarHBondContact CG1-O 3.44Å; N525-E527 PolarHBondContact ND2-OE2 3.04Å; N525-E527 PolarHBondContact O-N 3.15Å; N525-E527 WeakPolarHBondContact OD1-CB 3.5Å; N525-E527 PolarHBondContact OD1-N 2.8Å; N525-E528 HydrophobicContact CB-CB 4.25Å; N525-E528 HydrophobicContact CB-CG 4.24Å; N525-E528 PolarHBondContact O-N 3.14Å; N525-L529 PolarHBondContact O-N 2.67Å
526N34.8Very low41.3Very low138 Ų13887.8 Ų87.874%0.73846%0.464SS*.Hα-helixtrans-56.7-30.3175.3-70.6-24.5000112.6L529 M530N526-L529 PolarHBondContact O-N 2.82Å; N526-M530 WeakPolarHBondContact O-CB 3.2Å; N526-M530 PolarHBondContact O-N 3.29Å
527E40.2Very low41.3Very low123 Ų12384.7 Ų84.758%0.57544%0.441SS*.Hα-helixtrans-70.5-36.7177.6-167.3176.1-133.500111.8N525 N531N525-E527 PolarHBondContact ND2-OE2 3.04Å; N525-E527 PolarHBondContact O-N 3.15Å; N525-E527 WeakPolarHBondContact OD1-CB 3.5Å; N525-E527 PolarHBondContact OD1-N 2.8Å; E527-N531 WeakPolarHBondContact O-CB 3.11Å; E527-N531 PolarHBondContact O-N 3.47Å; E527-N531 PolarHBondContact O-ND2 3.15Å
528E48.2Very low41.5Very low112 Ų11283.7 Ų83.752%0.52344%0.441SS..Hα-helixtrans-72.2-34.9171.8-75.7-175.4145.900111.6V523 N525 N531 S532V523-E528 HydrophobicContact CG1-CB 3.38Å; N525-E528 HydrophobicContact CB-CB 4.25Å; N525-E528 HydrophobicContact CB-CG 4.24Å; N525-E528 PolarHBondContact O-N 3.14Å; E528-N531 PolarHBondContact O-N 3.41Å; E528-S532 WeakPolarHBondContact O-CB 3.28Å; E528-S532 PolarHBondContact O-N 3.1Å
529L42.3Very low41.6Very low66 Ų6688 Ų8835%0.34646%0.461SS..Hα-helixtrans-62.6-48.4173.2-168.679000110.6V523 N525 N526 N531 S532 E533V523-L529 HydrophobicContact CG1-CB 4.44Å; N525-L529 PolarHBondContact O-N 2.67Å; N526-L529 PolarHBondContact O-N 2.82Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-N531 PolarHBondContact O-N 3.26Å; L529-S532 WeakPolarHBondContact O-CA 3.33Å; L529-S532 WeakPolarHBondContact O-CB 3.5Å; L529-S532 PolarHBondContact O-N 3.37Å; L529-S532 PolarHBondContact O-OG 2.76Å; L529-E533 PolarHBondContact O-N 3.49Å
530M39.8Very low41.3Very low43 Ų4388.7 Ų88.721%0.21246%0.461CS..Hα-helixtrans-60-43.3176.1-166.5-156.9-54.300111.5N526 S532 E533 L534 M583N526-M530 WeakPolarHBondContact O-CB 3.2Å; N526-M530 PolarHBondContact O-N 3.29Å; M530-S532 VanDerWaalsContact C-N 3.27Å; M530-S532 PolarHBondContact O-N 2.96Å; M530-E533 PolarHBondContact O-N 2.94Å; M530-L534 HydrophobicContact CG-CD1 4.24Å; M530-L534 WeakPolarHBondContact O-CB 3.33Å; M530-L534 WeakPolarHBondContact O-CG 3.23Å; M530-L534 PolarHBondContact O-N 3.28Å; M530-L534 HydrophobicContact SD-CD1 4.38Å; M530-M583 HydrophobicContact CG-CE 3.89Å
531N48.3Very low41.3Very low96 Ų9687.1 Ų87.151%0.51344%0.444SS..Hα-helixtrans-63-32.4173.4-81-59000112.4E527 E528 L529 N535E527-N531 WeakPolarHBondContact O-CB 3.11Å; E527-N531 PolarHBondContact O-N 3.47Å; E527-N531 PolarHBondContact O-ND2 3.15Å; E528-N531 PolarHBondContact O-N 3.41Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-N531 PolarHBondContact O-N 3.26Å; N531-N535 WeakPolarHBondContact O-CB 3.47Å; N531-N535 PolarHBondContact O-N 3.33Å
532S48.1Very low41.1Very low44 Ų4482.6 Ų82.631%0.30843%0.428SS..Hα-helixtrans-71.9-38.7175.580.40000112.6E528 L529 M530 L536E528-S532 WeakPolarHBondContact O-CB 3.28Å; E528-S532 PolarHBondContact O-N 3.1Å; L529-S532 WeakPolarHBondContact O-CA 3.33Å; L529-S532 WeakPolarHBondContact O-CB 3.5Å; L529-S532 PolarHBondContact O-N 3.37Å; L529-S532 PolarHBondContact O-OG 2.76Å; M530-S532 VanDerWaalsContact C-N 3.27Å; M530-S532 PolarHBondContact O-N 2.96Å; S532-L536 WeakPolarHBondContact O-CB 3.17Å; S532-L536 PolarHBondContact O-N 3.4Å
533E38.6Very low40.7Very low23 Ų2381.9 Ų81.911%0.10742%0.424CS..Hα-helixtrans-62.3-52.1170.8-70.8-170.1138.100110.2Y514 F518 L529 M530 N535 L536 Y537Y514-E533 PolarHBondContact OH-OE1 2.95Å; F518-E533 HydrophobicContact CD1-CG 3.86Å; F518-E533 HydrophobicContact CE1-CB 4.42Å; F518-E533 HydrophobicContact CE1-CG 3.71Å; F518-E533 HydrophobicContact CZ-CG 4.3Å; L529-E533 PolarHBondContact O-N 3.49Å; M530-E533 PolarHBondContact O-N 2.94Å; E533-N535 VanDerWaalsContact C-N 3.34Å; E533-N535 PolarHBondContact O-N 2.94Å; E533-L536 PolarHBondContact O-N 3.48Å; E533-L536 VanDerWaalsContact O-N 3.15Å; E533-Y537 HydrophobicContact CB-CD2 4.44Å; E533-Y537 HydrophobicContact CB-CE2 4.25Å; E533-Y537 WeakPolarHBondContact O-CD2 3.3Å; E533-Y537 PolarHBondContact O-N 3.05Å
534L46.5Very low40.6Very low53 Ų5384.7 Ų84.728%0.27744%0.437SS..Hα-helixtrans-58.9-40.3178.9-72.9169.1000112.9M530 Y537 S538M530-L534 HydrophobicContact CG-CD1 4.24Å; M530-L534 WeakPolarHBondContact O-CB 3.33Å; M530-L534 WeakPolarHBondContact O-CG 3.23Å; M530-L534 PolarHBondContact O-N 3.28Å; M530-L534 HydrophobicContact SD-CD1 4.38Å; L534-Y537 PolarHBondContact O-N 3.28Å; L534-S538 WeakPolarHBondContact O-CB 3.46Å; L534-S538 PolarHBondContact O-N 3.24Å
535N51.6Low40.2Very low93 Ų9379.3 Ų79.350%0.49742%0.418SS..Hα-helixtrans-67.5-39.8176.4-171.5-1.6000111.6N531 E533 S538 Q539N531-N535 WeakPolarHBondContact O-CB 3.47Å; N531-N535 PolarHBondContact O-N 3.33Å; E533-N535 VanDerWaalsContact C-N 3.34Å; E533-N535 PolarHBondContact O-N 2.94Å; N535-S538 PolarHBondContact O-N 3.47Å; N535-Q539 WeakPolarHBondContact O-CG 3.44Å; N535-Q539 PolarHBondContact O-N 3.41Å; N535-Q539 PolarHBondContact O-NE2 2.83Å; N535-Q539 PolarHBondContact OD1-NE2 2.78Å
536L42.3Very low39.8Very low50 Ų5081.3 Ų81.326%0.26243%0.429SS..Hα-helixtrans-65.7-40.3174.3-167.370.7000111.6F518 S532 E533 Q539 L540F518-L536 HydrophobicContact CD1-CD2 4.47Å; F518-L536 HydrophobicContact CE1-CD2 3.65Å; F518-L536 HydrophobicContact CZ-CD2 4.15Å; S532-L536 WeakPolarHBondContact O-CB 3.17Å; S532-L536 PolarHBondContact O-N 3.4Å; E533-L536 PolarHBondContact O-N 3.48Å; E533-L536 VanDerWaalsContact O-N 3.15Å; L536-Q539 PolarHBondContact O-N 2.92Å; L536-L540 HydrophobicContact CD2-CD1 4.49Å; L536-L540 HydrophobicContact CG-CD1 4.05Å; L536-L540 WeakPolarHBondContact O-CB 3.41Å; L536-L540 WeakPolarHBondContact O-CG 3.28Å; L536-L540 PolarHBondContact O-N 3.38Å
537Y40.7Very low39.3Very low36 Ų3681.4 Ų81.414%0.14143%0.43CS..Hα-helixtrans-65.3-38.4173.2-73.2-62.3000112.5E533 L534 Q539 L540 F541 V586 Q590E533-Y537 HydrophobicContact CB-CD2 4.44Å; E533-Y537 HydrophobicContact CB-CE2 4.25Å; E533-Y537 WeakPolarHBondContact O-CD2 3.3Å; E533-Y537 PolarHBondContact O-N 3.05Å; L534-Y537 PolarHBondContact O-N 3.28Å; Y537-Q539 VanDerWaalsContact C-N 3.26Å; Y537-Q539 PolarHBondContact O-N 3.45Å; Y537-L540 PolarHBondContact O-N 2.9Å; Y537-F541 AromaticContact CD1-CD2 3.98Å; Y537-F541 HydrophobicContact CD1-CD2 3.98Å; Y537-F541 AromaticContact CD1-CE2 3.94Å; Y537-F541 HydrophobicContact CD1-CE2 3.94Å; Y537-F541 HydrophobicContact CE1-CE2 4.38Å; Y537-F541 PolarHBondContact O-N 2.83Å; Y537-V586 HydrophobicContact CD1-CG1 3.81Å; Y537-V586 HydrophobicContact CD2-CG1 4.25Å; Y537-V586 HydrophobicContact CE1-CG1 3.48Å; Y537-V586 VanDerWaalsContact CE1-CG1 3.48Å; Y537-V586 HydrophobicContact CE2-CG1 3.97Å; Y537-V586 HydrophobicContact CG-CG1 4.21Å; Y537-Q590 PolarHBondContact OH-NE2 2.9Å
538S44.4Very low38.7Very low54 Ų5482 Ų8238%0.37844%0.435SS..Hα-helixtrans-61.8-33.4173.9-170.30000112.5L534 N535L534-S538 WeakPolarHBondContact O-CB 3.46Å; L534-S538 PolarHBondContact O-N 3.24Å; N535-S538 PolarHBondContact O-N 3.47Å
539Q41.6Very low37.5Very low113 Ų11381.4 Ų81.453%0.52844%0.443SS..Hα-helixtrans-77.3-37.5175-69.6169.54500113.4N535 L536 Y537N535-Q539 WeakPolarHBondContact O-CG 3.44Å; N535-Q539 PolarHBondContact O-N 3.41Å; N535-Q539 PolarHBondContact O-NE2 2.83Å; N535-Q539 PolarHBondContact OD1-NE2 2.78Å; L536-Q539 PolarHBondContact O-N 2.92Å; Y537-Q539 VanDerWaalsContact C-N 3.26Å; Y537-Q539 PolarHBondContact O-N 3.45Å
540L34.4Very low36.6Very low109 Ų10987.3 Ų87.357%0.57147%0.466SS*.Hα-helixtrans-81.2-30.5-178.7-69.7172.1000113.3L536 Y537L536-L540 HydrophobicContact CD2-CD1 4.49Å; L536-L540 HydrophobicContact CG-CD1 4.05Å; L536-L540 WeakPolarHBondContact O-CB 3.41Å; L536-L540 WeakPolarHBondContact O-CG 3.28Å; L536-L540 PolarHBondContact O-N 3.38Å; Y537-L540 PolarHBondContact O-N 2.9Å
541F37.3Very low35.9Very low85 Ų8594 Ų9437%0.37350%0.497SS..  trans-132.758.5-174.2-54.4-82.5000112.5Y537 N543 I544Y537-F541 AromaticContact CD1-CD2 3.98Å; Y537-F541 HydrophobicContact CD1-CD2 3.98Å; Y537-F541 AromaticContact CD1-CE2 3.94Å; Y537-F541 HydrophobicContact CD1-CE2 3.94Å; Y537-F541 HydrophobicContact CE1-CE2 4.38Å; Y537-F541 PolarHBondContact O-N 2.83Å; F541-N543 PolarHBondContact O-N 3.14Å; F541-I544 HydrophobicContact CB-CD1 3.9Å; F541-I544 HydrophobicContact CB-CG1 4.23Å; F541-I544 HydrophobicContact CG-CD1 4.46Å; F541-I544 PolarHBondContact O-N 3.03Å
542P33.8Very low34.6Very low62 Ų6296.8 Ų96.840%0.40351%0.512SS..Hα-helixtrans-58.7-25-174.823.9-35.2000114I544 S545 N546P542-I544 VanDerWaalsContact C-N 3.27Å; P542-I544 PolarHBondContact O-N 3.43Å; P542-S545 WeakPolarHBondContact O-CB 3.48Å; P542-S545 PolarHBondContact O-N 3.46Å; P542-N546 PolarHBondContact O-N 3.05Å; P542-N546 PolarHBondContact O-ND2 3.09Å
543N31.7Very low33.4Very low130 Ų130101.2 Ų101.270%0.69553%0.53SS*.Hα-helixtrans-64-28.5177.4-65.90.2000113.2F541F541-N543 PolarHBondContact O-N 3.14Å
544I33.1Very low32.6Very low106 Ų106107.3 Ų107.354%0.54456%0.564SS.*Hα-helixtrans-74.4-42.5175.6-57.9178.3000109.6F541 P542 N546 N547F541-I544 HydrophobicContact CB-CD1 3.9Å; F541-I544 HydrophobicContact CB-CG1 4.23Å; F541-I544 HydrophobicContact CG-CD1 4.46Å; F541-I544 PolarHBondContact O-N 3.03Å; P542-I544 VanDerWaalsContact C-N 3.27Å; P542-I544 PolarHBondContact O-N 3.43Å; I544-N546 VanDerWaalsContact C-N 3.31Å; I544-N546 PolarHBondContact O-N 2.8Å; I544-N547 PolarHBondContact O-N 3.21Å
545S29.9Very low31.4Very low61 Ų61113.2 Ų113.243%0.42759%0.588SS.*Hα-helixtrans-61.1-35.6-179.6-165.90000113.3P542 N547P542-S545 WeakPolarHBondContact O-CB 3.48Å; P542-S545 PolarHBondContact O-N 3.46Å; S545-N547 VanDerWaalsContact C-N 3.32Å; S545-N547 PolarHBondContact O-N 2.71Å
546N27.9Very low29.9Very low111 Ų111115.2 Ų115.259%0.59459%0.594SS**THydrogen-bonded Turntrans-74.8-13.2-173-74.7-29.5000115.1P542 I544P542-N546 PolarHBondContact O-N 3.05Å; P542-N546 PolarHBondContact O-ND2 3.09Å; I544-N546 VanDerWaalsContact C-N 3.31Å; I544-N546 PolarHBondContact O-N 2.8Å
547N25.3Very low28.9Very low140 Ų140124.5 Ų124.575%0.74963%0.626SS**THydrogen-bonded Turntrans-97.9-4.5-171.8-86.7-18.2000115.6I544 S545I544-N547 PolarHBondContact O-N 3.21Å; S545-N547 VanDerWaalsContact C-N 3.32Å; S545-N547 PolarHBondContact O-N 2.71Å
548I26.1Very low28.1Very low136 Ų136129.4 Ų129.470%0.69765%0.648SS**THydrogen-bonded Turntrans-108.7-21.7-176.5-61.5-179.3000112.9K550I548-K550 PolarHBondContact O-N 3.17Å
549S23.2Very low27.1Very low98 Ų98133.1 Ų133.169%0.68567%0.67SS**  trans-77.762.9177.8640000113.2
550K24.1Very low26.1Very low190 Ų190136.4 Ų136.483%0.82669%0.686SS**  trans-135.114.9178.9-98.1-169.9-179.7178.70116.6I548I548-K550 PolarHBondContact O-N 3.17Å
551E23.9Very low25.4Very low184 Ų184139.7 Ų139.786%0.8670%0.703SS**SBendtrans-107.6121.4160.8-66-157.1159.600111.1I553E551-I553 PolarHBondContact O-N 3.47Å; E551-I553 VanDerWaalsContact O-N 3.15Å
552N21.8Very low24.8Very low154 Ų154144.3 Ų144.382%0.82473%0.726SS**  trans-82.788-173.6-81.1-63.3000111.8
553I22.8Very low24.1Very low137 Ų137147.9 Ų147.970%0.70375%0.746SS**  trans-121.9108.2159.8-55.3-177.4000108.7E551 F555E551-I553 PolarHBondContact O-N 3.47Å; E551-I553 VanDerWaalsContact O-N 3.15Å; I553-F555 HydrophobicContact CG2-CD2 4.18Å; I553-F555 HydrophobicContact CG2-CE2 4.49Å; I553-F555 PolarHBondContact O-N 2.82Å
554N21.7Very low23.7Very low152 Ų152147.8 Ų147.881%0.81375%0.75SS**  trans-72.983.3-177.3-73-65.6000111.9E556N554-E556 VanDerWaalsContact C-N 3.27Å; N554-E556 PolarHBondContact O-N 2.61Å
555F22.1Very low23.2Very low177 Ų177151.8 Ų151.878%0.77676%0.764SS**  trans-7979162.4-102.5-84.4000110.6I553 W557I553-F555 HydrophobicContact CG2-CD2 4.18Å; I553-F555 HydrophobicContact CG2-CE2 4.49Å; I553-F555 PolarHBondContact O-N 2.82Å; F555-W557 PolarHBondContact O-N 2.93Å
556E20Very low22.9Very low134 Ų134154 Ų15463%0.62678%0.779SS**  trans-70105.2173.1-168.7-172.2-161.100109.7N554 K558N554-E556 VanDerWaalsContact C-N 3.27Å; N554-E556 PolarHBondContact O-N 2.61Å; E556-K558 HydrophobicContact CG-CD 4.48Å; E556-K558 HydrophobicContact CG-CG 4.4Å; E556-K558 PolarHBondContact O-N 2.87Å; E556-K558 WeakPolarHBondContact OE1-CE 3.47Å; E556-K558 IonicContact OE1-NZ 2.86Å; E556-K558 PolarHBondContact OE1-NZ 3.47Å; E556-K558 WeakPolarHBondContact OE2-CE 3.44Å; E556-K558 IonicContact OE2-NZ 2.72Å; E556-K558 PolarHBondContact OE2-NZ 2.75Å
557W20.7Very low22.7Very low245 Ų245155.9 Ų155.993%0.92879%0.789SS**  trans-65.788.4178.2-83.777.8000111.8F555F555-W557 PolarHBondContact O-N 2.93Å
558K24.6Very low22.9Very low140 Ų140158.1 Ų158.161%0.60980%0.795SS**  trans-105.8108170.1-82.4176176.4149.80110.7E556 E560E556-K558 HydrophobicContact CG-CD 4.48Å; E556-K558 HydrophobicContact CG-CG 4.4Å; E556-K558 PolarHBondContact O-N 2.87Å; E556-K558 WeakPolarHBondContact OE1-CE 3.47Å; E556-K558 IonicContact OE1-NZ 2.86Å; E556-K558 PolarHBondContact OE1-NZ 3.47Å; E556-K558 WeakPolarHBondContact OE2-CE 3.44Å; E556-K558 IonicContact OE2-NZ 2.72Å; E556-K558 PolarHBondContact OE2-NZ 2.75Å; K558-E560 VanDerWaalsContact C-N 3.27Å; K558-E560 PolarHBondContact O-N 3.41Å
559P21.9Very low23Very low131 Ų131160.6 Ų160.685%0.85180%0.803SS**  trans-83.562.6-174.935.2-37.1000112.2
560E22.3Very low23.2Very low182 Ų182163.5 Ų163.585%0.8580%0.804SS**  trans-124.9124.3172.2-74.1-166.3134.900112.5K558 Q562K558-E560 VanDerWaalsContact C-N 3.27Å; K558-E560 PolarHBondContact O-N 3.41Å; E560-Q562 PolarHBondContact O-N 3.39Å
561L19.3Very low23.6Very low178 Ų178158.5 Ų158.593%0.93279%0.789SS**  trans-76.1107.3-174.5-75.1151.7000112.3
562Q23.7Very low23.9Very low183 Ų183151.7 Ų151.786%0.85577%0.768SS**  trans-136.3129155.6-69.3-160.914.200112.4E560 V564E560-Q562 PolarHBondContact O-N 3.39Å; Q562-V564 PolarHBondContact O-N 3.23Å
563V19.9Very low24.3Very low136 Ų136149.9 Ų149.982%0.82476%0.759SS**  trans-85.3107.5-176.8178.20000110.3
564V24.1Very low25Very low128 Ų128147.4 Ų147.478%0.77674%0.744SS**  trans-128.8133.7164.6-177.50000108.4Q562Q562-V564 PolarHBondContact O-N 3.23Å
565K21.5Very low25.7Very low191 Ų191145.6 Ų145.683%0.8373%0.733SS**  trans-96.7121.2-174.7-63.1179.5177.5-175.50111.2
566S23.5Very low26.3Very low106 Ų106141.5 Ų141.574%0.74172%0.718SS**  trans-157.595.7161.454.50000110.8
567N24.2Very low27.3Very low152 Ų152141.9 Ų141.981%0.81372%0.72SS**  trans23155.9152.9-55.72.8000122.3
568E28.5Very low28.2Very low187 Ų187136.3 Ų136.387%0.87470%0.704SS**  trans76.357.2170.1-63.9174-147.600115K570E568-K570 PolarHBondContact O-N 3.09Å
569E28.5Very low28.8Very low187 Ų187130.7 Ų130.787%0.87468%0.683SS**  trans-62.2106.7162.9-63.3172.9164.400110.8T571E569-T571 PolarHBondContact O-N 2.86Å
570K28.5Very low29.6Very low160 Ų160130.4 Ų130.470%0.69667%0.669SS**  trans-63.8117.7158.5-89.8176.7155.9-87.10108.3E568 E574E568-K570 PolarHBondContact O-N 3.09Å; K570-E574 WeakPolarHBondContact CG-OE2 3.43Å; K570-E574 IonicContact NZ-OE1 3.98Å; K570-E574 PolarHBondContact NZ-OE1 2.91Å; K570-E574 IonicContact NZ-OE2 3.04Å; K570-E574 PolarHBondContact NZ-OE2 3.44Å
571T31.2Very low30.7Very low84 Ų84128.2 Ų128.252%0.51566%0.656SS.*  trans-67.9137.1-172.3570000111.3E569 N573 E574E569-T571 PolarHBondContact O-N 2.86Å; T571-N573 PolarHBondContact O-N 3.44Å; T571-E574 PolarHBondContact O-N 2.79Å
572G31Very low31.7Very low41 Ų41124 Ų12442%0.42363%0.632SS.*THydrogen-bonded Turntrans-57-11.3-179.400000115.9E574 I575 I576G572-E574 VanDerWaalsContact C-N 3.29Å; G572-E574 PolarHBondContact O-N 3.28Å; G572-I575 PolarHBondContact O-N 3.27Å; G572-I576 WeakPolarHBondContact O-CG1 3.49Å; G572-I576 PolarHBondContact O-N 3.41Å; G572-I576 VanDerWaalsContact O-N 3.09Å
573N30.9Very low32.3Very low117 Ų117118.1 Ų118.163%0.62661%0.605SS**Hα-helixtrans-56.9-39.2167.1-63.6-16.3000112.4T571 I575 I576 E577T571-N573 PolarHBondContact O-N 3.44Å; N573-I575 VanDerWaalsContact C-N 3.34Å; N573-I575 PolarHBondContact O-N 3.38Å; N573-I576 PolarHBondContact O-N 3.19Å; N573-E577 VanDerWaalsContact O-CB 3.31Å; N573-E577 WeakPolarHBondContact O-CB 3.31Å; N573-E577 PolarHBondContact O-N 3.14Å
574E37.2Very low33.3Very low84 Ų84116.4 Ų116.439%0.39359%0.588SS.*Hα-helixtrans-63-41.3178-68.2-171.4146.900111.1K570 T571 G572 E577 E578K570-E574 WeakPolarHBondContact CG-OE2 3.43Å; K570-E574 IonicContact NZ-OE1 3.98Å; K570-E574 PolarHBondContact NZ-OE1 2.91Å; K570-E574 IonicContact NZ-OE2 3.04Å; K570-E574 PolarHBondContact NZ-OE2 3.44Å; T571-E574 PolarHBondContact O-N 2.79Å; G572-E574 VanDerWaalsContact C-N 3.29Å; G572-E574 PolarHBondContact O-N 3.28Å; E574-E577 PolarHBondContact O-N 2.87Å; E574-E578 PolarHBondContact O-N 2.79Å
575I36.5Very low34.3Very low114 Ų114115.2 Ų115.259%0.58557%0.574SS**Hα-helixtrans-64.8-45.7178.7-57.2174.3000110.1G572 N573 E577 E578 S579G572-I575 PolarHBondContact O-N 3.27Å; N573-I575 VanDerWaalsContact C-N 3.34Å; N573-I575 PolarHBondContact O-N 3.38Å; I575-E577 VanDerWaalsContact C-N 3.31Å; I575-E577 PolarHBondContact O-N 3.42Å; I575-E578 PolarHBondContact O-N 2.94Å; I575-S579 PolarHBondContact O-N 3.02Å; I575-S579 PolarHBondContact O-OG 2.68Å
576I33.5Very low35.3Very low91 Ų91108 Ų10847%0.46755%0.546SS..Hα-helixtrans-61.6-41.2176.1-66.7166.7000110.6G572 N573 S579 F580G572-I576 WeakPolarHBondContact O-CG1 3.49Å; G572-I576 PolarHBondContact O-N 3.41Å; G572-I576 VanDerWaalsContact O-N 3.09Å; N573-I576 PolarHBondContact O-N 3.19Å; I576-S579 PolarHBondContact O-N 3.05Å; I576-F580 HydrophobicContact CG2-CD2 3.81Å; I576-F580 HydrophobicContact CG2-CE2 4.07Å; I576-F580 WeakPolarHBondContact O-CB 3.39Å; I576-F580 WeakPolarHBondContact O-CD2 3.46Å; I576-F580 PolarHBondContact O-N 2.86Å
577E41.5Very low36.3Very low143 Ų143108.8 Ų108.867%0.66853%0.532SS*.Hα-helixtrans-68.1-39.4179.6-167.5166-132.800112.2N573 E574 I575 K581N573-E577 VanDerWaalsContact O-CB 3.31Å; N573-E577 WeakPolarHBondContact O-CB 3.31Å; N573-E577 PolarHBondContact O-N 3.14Å; E574-E577 PolarHBondContact O-N 2.87Å; I575-E577 VanDerWaalsContact C-N 3.31Å; I575-E577 PolarHBondContact O-N 3.42Å; E577-K581 VanDerWaalsContact O-CB 3.3Å; E577-K581 WeakPolarHBondContact O-CB 3.24Å; E577-K581 PolarHBondContact O-N 3.45Å
578E41Very low37.1Very low127 Ų127104.7 Ų104.759%0.59351%0.508SS*.Hα-helixtrans-65.5-42.9171.4-73.2-165.1132.800112.6E574 I575 K581 Q582E574-E578 PolarHBondContact O-N 2.79Å; I575-E578 PolarHBondContact O-N 2.94Å; E578-K581 WeakPolarHBondContact O-CB 3.24Å; E578-K581 PolarHBondContact O-N 2.97Å; E578-Q582 VanDerWaalsContact O-CG 3.32Å; E578-Q582 WeakPolarHBondContact O-CG 3.36Å; E578-Q582 PolarHBondContact O-N 2.83Å
579S37Very low37.8Very low23 Ų23101.4 Ų101.416%0.16149%0.492CS..Hα-helixtrans-66.2-38.3176.3-62.60000112.8I575 I576 K581 Q582 M583I575-S579 PolarHBondContact O-N 3.02Å; I575-S579 PolarHBondContact O-OG 2.68Å; I576-S579 PolarHBondContact O-N 3.05Å; S579-K581 VanDerWaalsContact C-N 3.32Å; S579-K581 PolarHBondContact O-N 3.21Å; S579-Q582 PolarHBondContact O-N 2.97Å; S579-M583 PolarHBondContact O-N 2.86Å
580F37.4Very low38.4Very low124 Ų12495.5 Ų95.554%0.54446%0.464SS..Hα-helixtrans-60.7-42.5171.8-103.9-85.3000111.6I576 M583 E584I576-F580 HydrophobicContact CG2-CD2 3.81Å; I576-F580 HydrophobicContact CG2-CE2 4.07Å; I576-F580 WeakPolarHBondContact O-CB 3.39Å; I576-F580 WeakPolarHBondContact O-CD2 3.46Å; I576-F580 PolarHBondContact O-N 2.86Å; F580-M583 WeakPolarHBondContact O-CB 3.2Å; F580-M583 PolarHBondContact O-N 3.3Å; F580-E584 WeakPolarHBondContact O-CB 3.36Å; F580-E584 PolarHBondContact O-N 2.89Å
581K46Very low39.1Very low137 Ų13790.6 Ų90.660%0.59645%0.445SS*.Hα-helixtrans-66.3-40179.9-165.8176.1-169.9173.40112.7E577 E578 S579 E584 E585E577-K581 VanDerWaalsContact O-CB 3.3Å; E577-K581 WeakPolarHBondContact O-CB 3.24Å; E577-K581 PolarHBondContact O-N 3.45Å; E578-K581 WeakPolarHBondContact O-CB 3.24Å; E578-K581 PolarHBondContact O-N 2.97Å; S579-K581 VanDerWaalsContact C-N 3.32Å; S579-K581 PolarHBondContact O-N 3.21Å; K581-E584 PolarHBondContact O-N 3.03Å; K581-E585 PolarHBondContact O-N 3.1Å
582Q41.1Very low39.8Very low88 Ų8888.4 Ų88.441%0.41143%0.43SS..Hα-helixtrans-61.2-43.9171.5-69.9167.421.800111.3E578 S579 E584 E585 V586E578-Q582 VanDerWaalsContact O-CG 3.32Å; E578-Q582 WeakPolarHBondContact O-CG 3.36Å; E578-Q582 PolarHBondContact O-N 2.83Å; S579-Q582 PolarHBondContact O-N 2.97Å; Q582-E584 VanDerWaalsContact C-N 3.35Å; Q582-E584 PolarHBondContact O-N 3.28Å; Q582-E585 PolarHBondContact O-N 3.34Å; Q582-V586 WeakPolarHBondContact O-CG2 3.09Å; Q582-V586 PolarHBondContact O-N 2.93Å; Q582-V586 VanDerWaalsContact O-N 3.07Å
583M36.2Very low40.3Very low61 Ų6190.7 Ų90.730%0.343%0.429SS..Hα-helixtrans-64-38.5175.9-169.9-169.2-68.300112.1M530 S579 F580 V586 R587M530-M583 HydrophobicContact CG-CE 3.89Å; S579-M583 PolarHBondContact O-N 2.86Å; F580-M583 WeakPolarHBondContact O-CB 3.2Å; F580-M583 PolarHBondContact O-N 3.3Å; M583-V586 PolarHBondContact O-N 3.25Å; M583-R587 HydrophobicContact CG-CG 4.44Å; M583-R587 WeakPolarHBondContact O-CB 3.17Å; M583-R587 WeakPolarHBondContact O-CG 3.27Å; M583-R587 PolarHBondContact O-N 2.94Å
584E40.8Very low40.7Very low100 Ų10087.6 Ų87.647%0.46741%0.41SS..Hα-helixtrans-66.7-43.2178-164.2170.5-136.200111.9F580 K581 Q582 R587 F588 Q613F580-E584 WeakPolarHBondContact O-CB 3.36Å; F580-E584 PolarHBondContact O-N 2.89Å; K581-E584 PolarHBondContact O-N 3.03Å; Q582-E584 VanDerWaalsContact C-N 3.35Å; Q582-E584 PolarHBondContact O-N 3.28Å; E584-R587 PolarHBondContact O-N 2.79Å; E584-F588 WeakPolarHBondContact O-CB 3.43Å; E584-F588 PolarHBondContact O-N 3Å; E584-Q613 PolarHBondContact OE1-NE2 3.18Å
585E45.1Very low40.8Very low102 Ų10283.7 Ų83.748%0.47739%0.393SS..Hα-helixtrans-64.2-39173.5-73.8-165.3129.300112.4K581 Q582 F588 H589 K1297K581-E585 PolarHBondContact O-N 3.1Å; Q582-E585 PolarHBondContact O-N 3.34Å; E585-F588 PolarHBondContact O-N 2.81Å; E585-H589 PolarHBondContact O-N 3.08Å; E585-H589 PolarHBondContact O-ND1 2.9Å; E585-K1297 IonicContact OE1-NZ 2.98Å
586V42.6Very low40.9Very low39 Ų3985.1 Ų85.124%0.23640%0.397CS..Hα-helixtrans-66.7-43176.4170.10000111.8Y537 Q582 M583 F588 H589 Q590Y537-V586 HydrophobicContact CD1-CG1 3.81Å; Y537-V586 HydrophobicContact CD2-CG1 4.25Å; Y537-V586 HydrophobicContact CE1-CG1 3.48Å; Y537-V586 VanDerWaalsContact CE1-CG1 3.48Å; Y537-V586 HydrophobicContact CE2-CG1 3.97Å; Y537-V586 HydrophobicContact CG-CG1 4.21Å; Q582-V586 WeakPolarHBondContact O-CG2 3.09Å; Q582-V586 PolarHBondContact O-N 2.93Å; Q582-V586 VanDerWaalsContact O-N 3.07Å; M583-V586 PolarHBondContact O-N 3.25Å; V586-F588 VanDerWaalsContact C-N 3.31Å; V586-F588 PolarHBondContact O-N 3.13Å; V586-H589 PolarHBondContact O-N 2.92Å; V586-Q590 PolarHBondContact O-N 3.44Å
587R43.1Very low41.2Very low123 Ų12388.1 Ų88.146%0.46441%0.406SS..Hα-helixtrans-63-37.9175.6-71.2-87.3-78.3-143.8-5.1111.4M583 E584 Q590 I591M583-R587 HydrophobicContact CG-CG 4.44Å; M583-R587 WeakPolarHBondContact O-CB 3.17Å; M583-R587 WeakPolarHBondContact O-CG 3.27Å; M583-R587 PolarHBondContact O-N 2.94Å; E584-R587 PolarHBondContact O-N 2.79Å; R587-Q590 PolarHBondContact O-N 2.9Å; R587-I591 WeakPolarHBondContact O-CG1 3.38Å; R587-I591 PolarHBondContact O-N 2.85Å
588F42.6Very low41Very low66 Ų6686.6 Ų86.629%0.28940%0.398SS..Hα-helixtrans-60.4-47.5174.7-174.9-97.6000111.8E584 E585 V586 Q590 I591 M592 F605 F609E584-F588 WeakPolarHBondContact O-CB 3.43Å; E584-F588 PolarHBondContact O-N 3Å; E585-F588 PolarHBondContact O-N 2.81Å; V586-F588 VanDerWaalsContact C-N 3.31Å; V586-F588 PolarHBondContact O-N 3.13Å; F588-Q590 PolarHBondContact O-N 3.25Å; F588-I591 PolarHBondContact O-N 3.39Å; F588-M592 HydrophobicContact CD1-CG 3.86Å; F588-M592 HydrophobicContact CE1-CG 3.49Å; F588-M592 VanDerWaalsContact CE1-CG 3.49Å; F588-M592 HydrophobicContact CE1-SD 4.04Å; F588-M592 HydrophobicContact CE2-CG 4.41Å; F588-M592 HydrophobicContact CG-CG 4.46Å; F588-M592 HydrophobicContact CZ-CG 3.79Å; F588-M592 HydrophobicContact CZ-SD 3.81Å; F588-M592 WeakPolarHBondContact O-CB 3.46Å; F588-M592 WeakPolarHBondContact O-CG 3.45Å; F588-M592 PolarHBondContact O-N 3.39Å; F588-F605 HydrophobicContact CD2-CE1 4.3Å; F588-F605 HydrophobicContact CE2-CD1 4.49Å; F588-F605 HydrophobicContact CE2-CE1 4.12Å; F588-F609 HydrophobicContact CD2-CD1 4.37Å; F588-F609 HydrophobicContact CD2-CE1 4.37Å
589H42.8Very low40.6Very low118 Ų11883 Ų8355%0.54640%0.395SS..Hα-helixtrans-62.1-39.2178.8-74.985000113.4E585 V586 I591 M592 Q593E585-H589 PolarHBondContact O-N 3.08Å; E585-H589 PolarHBondContact O-ND1 2.9Å; V586-H589 PolarHBondContact O-N 2.92Å; H589-I591 VanDerWaalsContact C-N 3.34Å; H589-I591 PolarHBondContact O-N 2.8Å; H589-M592 PolarHBondContact O-N 2.84Å; H589-Q593 PolarHBondContact O-N 3.34Å
590Q40.5Very low40.6Very low63 Ų6386.4 Ų86.429%0.29441%0.407SS..Hα-helixtrans-60.1-42.7176.9-75.7-179.9-21.200112.6Y537 V586 R587 F588 F594Y537-Q590 PolarHBondContact OH-NE2 2.9Å; V586-Q590 PolarHBondContact O-N 3.44Å; R587-Q590 PolarHBondContact O-N 2.9Å; F588-Q590 PolarHBondContact O-N 3.25Å; Q590-F594 PolarHBondContact O-N 3.31Å
591I43.1Very low40.8Very low57 Ų5783 Ų8329%0.29240%0.397SS..Hα-helixtrans-82.6-27.4-177.2-42.5158.1000110.9R587 F588 H589 F594 A595 F605 F609R587-I591 WeakPolarHBondContact O-CG1 3.38Å; R587-I591 PolarHBondContact O-N 2.85Å; F588-I591 PolarHBondContact O-N 3.39Å; H589-I591 VanDerWaalsContact C-N 3.34Å; H589-I591 PolarHBondContact O-N 2.8Å; I591-F594 WeakPolarHBondContact O-CB 3.44Å; I591-F594 PolarHBondContact O-N 2.82Å; I591-A595 WeakPolarHBondContact O-CB 3.4Å; I591-A595 PolarHBondContact O-N 3.12Å; I591-F605 HydrophobicContact CB-CE1 4.04Å; I591-F605 HydrophobicContact CB-CE2 3.96Å; I591-F605 HydrophobicContact CB-CZ 3.46Å; I591-F605 VanDerWaalsContact CB-CZ 3.46Å; I591-F605 HydrophobicContact CD1-CZ 4.05Å; I591-F605 HydrophobicContact CG1-CZ 4.38Å; I591-F605 HydrophobicContact CG2-CD2 4.04Å; I591-F605 HydrophobicContact CG2-CE1 4.18Å; I591-F605 HydrophobicContact CG2-CE2 3.2Å; I591-F605 HydrophobicContact CG2-CZ 3.28Å; I591-F609 HydrophobicContact CD1-CD2 4.35Å; I591-F609 HydrophobicContact CD1-CE2 3.97Å
592M45Very low40.4Very low39 Ų3979.6 Ų79.619%0.19239%0.389CS..Hα-helixtrans-58.8-47.6167.1-79.3-64.3-5600112.1F588 H589 F594 A595 E596 P602 F605F588-M592 HydrophobicContact CD1-CG 3.86Å; F588-M592 HydrophobicContact CE1-CG 3.49Å; F588-M592 VanDerWaalsContact CE1-CG 3.49Å; F588-M592 HydrophobicContact CE1-SD 4.04Å; F588-M592 HydrophobicContact CE2-CG 4.41Å; F588-M592 HydrophobicContact CG-CG 4.46Å; F588-M592 HydrophobicContact CZ-CG 3.79Å; F588-M592 HydrophobicContact CZ-SD 3.81Å; F588-M592 WeakPolarHBondContact O-CB 3.46Å; F588-M592 WeakPolarHBondContact O-CG 3.45Å; F588-M592 PolarHBondContact O-N 3.39Å; H589-M592 PolarHBondContact O-N 2.84Å; M592-F594 PolarHBondContact O-N 3.21Å; M592-A595 WeakPolarHBondContact O-CB 3.41Å; M592-A595 PolarHBondContact O-N 3.43Å; M592-A595 VanDerWaalsContact O-N 3.15Å; M592-E596 WeakPolarHBondContact O-CB 3.45Å; M592-E596 PolarHBondContact O-N 2.92Å; M592-P602 HydrophobicContact CE-CB 3.92Å; M592-P602 HydrophobicContact CE-CG 4.1Å; M592-F605 HydrophobicContact CG-CD1 4.3Å; M592-F605 HydrophobicContact SD-CD1 3.66Å; M592-F605 HydrophobicContact SD-CE1 4.4Å
593Q42Very low40.7Very low88 Ų8881.5 Ų81.541%0.41140%0.397SS..Hα-helixtrans-64.3-28.8175.2-75.7-167.8-23.500113.3H589 K597H589-Q593 PolarHBondContact O-N 3.34Å; Q593-K597 WeakPolarHBondContact O-CB 3.48Å; Q593-K597 PolarHBondContact O-N 3.01Å
594F39Very low40.7Very low53 Ų5381.2 Ų81.223%0.23240%0.395CS..Hα-helixtrans-69.5-46.2171.1-179-89.2000111.4H507 Q590 I591 M592 F598H507-F594 AromaticContact CD2-CE2 3.82Å; Q590-F594 PolarHBondContact O-N 3.31Å; I591-F594 WeakPolarHBondContact O-CB 3.44Å; I591-F594 PolarHBondContact O-N 2.82Å; M592-F594 PolarHBondContact O-N 3.21Å; F594-F598 HydrophobicContact CD1-CD2 4.28Å; F594-F598 HydrophobicContact CD2-CD2 4.02Å; F594-F598 AromaticContact CD2-CE2 3.88Å; F594-F598 HydrophobicContact CD2-CE2 3.88Å; F594-F598 HydrophobicContact CE1-CD2 4Å; F594-F598 HydrophobicContact CE1-CE2 4.49Å; F594-F598 AromaticContact CE2-CD2 3.72Å; F594-F598 HydrophobicContact CE2-CD2 3.72Å; F594-F598 AromaticContact CE2-CE2 3.41Å; F594-F598 HydrophobicContact CE2-CE2 3.41Å; F594-F598 VanDerWaalsContact CE2-CE2 3.41Å; F594-F598 HydrophobicContact CE2-CZ 4.49Å; F594-F598 HydrophobicContact CG-CD2 4.29Å; F594-F598 AromaticContact CZ-CD2 3.72Å; F594-F598 HydrophobicContact CZ-CD2 3.72Å; F594-F598 AromaticContact CZ-CE2 3.77Å; F594-F598 HydrophobicContact CZ-CE2 3.77Å; F594-F598 WeakPolarHBondContact O-CD2 3.43Å; F594-F598 PolarHBondContact O-N 3.02Å
595A39.6Very low40.8Very low2 Ų277.6 Ų77.62%0.01738%0.378CS..Hα-helixtrans-57.8-52.9178.400000111.5I591 M592 K597 F598 G599 F600 F605I591-A595 WeakPolarHBondContact O-CB 3.4Å; I591-A595 PolarHBondContact O-N 3.12Å; M592-A595 WeakPolarHBondContact O-CB 3.41Å; M592-A595 PolarHBondContact O-N 3.43Å; M592-A595 VanDerWaalsContact O-N 3.15Å; A595-K597 PolarHBondContact O-N 3.44Å; A595-F598 CarbonylContact O-C 3.59Å; A595-F598 PolarHBondContact O-N 3.41Å; A595-F598 VanDerWaalsContact O-N 3.1Å; A595-G599 PolarHBondContact O-N 3.36Å; A595-G599 VanDerWaalsContact O-N 3.14Å; A595-F600 HydrophobicContact CB-CB 3.86Å; A595-F600 PolarHBondContact O-N 3.47Å; A595-F605 HydrophobicContact CB-CB 3.74Å; A595-F605 HydrophobicContact CB-CD2 4.34Å; A595-F605 HydrophobicContact CB-CG 3.97Å
596E39Very low40.5Very low143 Ų14378.8 Ų78.867%0.66838%0.382SS*.Hα-helixtrans-58-46-178.8-166172.9-128.500111.8M592 F598 G599M592-E596 WeakPolarHBondContact O-CB 3.45Å; M592-E596 PolarHBondContact O-N 2.92Å; E596-F598 VanDerWaalsContact C-N 3.25Å; E596-F598 PolarHBondContact O-N 3.19Å; E596-G599 PolarHBondContact O-N 2.8Å
597K39.7Very low40.4Very low154 Ų15481.6 Ų81.667%0.6739%0.392SS*.Hα-helixtrans-65.5-23.2178.3-174.2171-178.6177.70114.3I505 Q593 A595I505-K597 HydrophobicContact CD1-CD 4Å; Q593-K597 WeakPolarHBondContact O-CB 3.48Å; Q593-K597 PolarHBondContact O-N 3.01Å; A595-K597 PolarHBondContact O-N 3.44Å
598F36.9Very low40.2Very low111 Ų11182.9 Ų82.949%0.48740%0.398SS..THydrogen-bonded Turntrans-104.511.8177.2-73.6-70.2000113.6F594 A595 E596 F600F594-F598 HydrophobicContact CD1-CD2 4.28Å; F594-F598 HydrophobicContact CD2-CD2 4.02Å; F594-F598 AromaticContact CD2-CE2 3.88Å; F594-F598 HydrophobicContact CD2-CE2 3.88Å; F594-F598 HydrophobicContact CE1-CD2 4Å; F594-F598 HydrophobicContact CE1-CE2 4.49Å; F594-F598 AromaticContact CE2-CD2 3.72Å; F594-F598 HydrophobicContact CE2-CD2 3.72Å; F594-F598 AromaticContact CE2-CE2 3.41Å; F594-F598 HydrophobicContact CE2-CE2 3.41Å; F594-F598 VanDerWaalsContact CE2-CE2 3.41Å; F594-F598 HydrophobicContact CE2-CZ 4.49Å; F594-F598 HydrophobicContact CG-CD2 4.29Å; F594-F598 AromaticContact CZ-CD2 3.72Å; F594-F598 HydrophobicContact CZ-CD2 3.72Å; F594-F598 AromaticContact CZ-CE2 3.77Å; F594-F598 HydrophobicContact CZ-CE2 3.77Å; F594-F598 WeakPolarHBondContact O-CD2 3.43Å; F594-F598 PolarHBondContact O-N 3.02Å; A595-F598 CarbonylContact O-C 3.59Å; A595-F598 PolarHBondContact O-N 3.41Å; A595-F598 VanDerWaalsContact O-N 3.1Å; E596-F598 VanDerWaalsContact C-N 3.25Å; E596-F598 PolarHBondContact O-N 3.19Å; F598-F600 VanDerWaalsContact C-N 3.35Å; F598-F600 HydrophobicContact CB-CD2 3.97Å; F598-F600 HydrophobicContact CB-CE2 3.99Å; F598-F600 PolarHBondContact O-N 2.72Å
599G33.6Very low40.1Very low53 Ų5381.8 Ų81.855%0.54639%0.393SS..THydrogen-bonded Turntrans73.622.4174.200000114.7A595 E596A595-G599 PolarHBondContact O-N 3.36Å; A595-G599 VanDerWaalsContact O-N 3.14Å; E596-G599 PolarHBondContact O-N 2.8Å
600F36.4Very low39.9Very low94 Ų9478.7 Ų78.741%0.41239%0.385SS..  trans-80.7138.3164.8-66.8-88.5000109.4A595 F598 E604A595-F600 HydrophobicContact CB-CB 3.86Å; A595-F600 PolarHBondContact O-N 3.47Å; F598-F600 VanDerWaalsContact C-N 3.35Å; F598-F600 HydrophobicContact CB-CD2 3.97Å; F598-F600 HydrophobicContact CB-CE2 3.99Å; F598-F600 PolarHBondContact O-N 2.72Å; F600-E604 WeakPolarHBondContact CA-OE2 3.46Å; F600-E604 HydrophobicContact CD1-CB 4.42Å
601T41.9Very low39.8Very low52 Ų5281.6 Ų81.632%0.31940%0.396SS..  trans-75.5159.1172.687.20000111.2E603 E604 F605T601-E603 WeakPolarHBondContact CB-OE2 3.42Å; T601-E603 PolarHBondContact O-N 3.33Å; T601-E603 PolarHBondContact OG1-N 2.67Å; T601-E603 PolarHBondContact OG1-OE2 3.01Å; T601-E604 HydrophobicContact CG2-CG 4.38Å; T601-E604 PolarHBondContact N-OE2 3.2Å; T601-E604 PolarHBondContact O-N 3.21Å; T601-E604 VanDerWaalsContact O-N 3.17Å; T601-E604 PolarHBondContact OG1-N 3.28Å; T601-E604 VanDerWaalsContact OG1-N 3.16Å; T601-F605 PolarHBondContact O-N 2.77Å
602P37.5Very low39.3Very low66 Ų6682 Ų8243%0.42940%0.399SS..Hα-helixtrans-52.1-35.7171.7-28.236.8000113M592 K606M592-P602 HydrophobicContact CE-CB 3.92Å; M592-P602 HydrophobicContact CE-CG 4.1Å; P602-K606 WeakPolarHBondContact O-CB 3.21Å; P602-K606 PolarHBondContact O-N 3Å
603E47.3Very low38.7Very low127 Ų12783 Ų8359%0.59340%0.403SS*.Hα-helixtrans-73.6-42178.9-53.969.9-148.600112.1T601 K606 H607T601-E603 WeakPolarHBondContact CB-OE2 3.42Å; T601-E603 PolarHBondContact O-N 3.33Å; T601-E603 PolarHBondContact OG1-N 2.67Å; T601-E603 PolarHBondContact OG1-OE2 3.01Å; E603-K606 PolarHBondContact O-N 2.79Å; E603-H607 VanDerWaalsContact O-CB 3.32Å; E603-H607 WeakPolarHBondContact O-CB 3.44Å; E603-H607 PolarHBondContact O-N 3.04Å
604E36.9Very low38.2Very low55 Ų5584.1 Ų84.126%0.25741%0.411SS..Hα-helixtrans-59.8-48.1175.1-70.8-169.8120.400110.9F600 T601 H607 Y608 K1209F600-E604 WeakPolarHBondContact CA-OE2 3.46Å; F600-E604 HydrophobicContact CD1-CB 4.42Å; T601-E604 HydrophobicContact CG2-CG 4.38Å; T601-E604 PolarHBondContact N-OE2 3.2Å; T601-E604 PolarHBondContact O-N 3.21Å; T601-E604 VanDerWaalsContact O-N 3.17Å; T601-E604 PolarHBondContact OG1-N 3.28Å; T601-E604 VanDerWaalsContact OG1-N 3.16Å; E604-H607 PolarHBondContact O-N 2.92Å; E604-Y608 PolarHBondContact O-N 3.18Å; E604-Y608 VanDerWaalsContact O-N 3.15Å; E604-K1209 VanDerWaalsContact CD-CE 3.42Å; E604-K1209 WeakPolarHBondContact OE1-CE 3.5Å; E604-K1209 IonicContact OE1-NZ 3.94Å; E604-K1209 PolarHBondContact OE1-NZ 3.49Å; E604-K1209 WeakPolarHBondContact OE2-CE 3.46Å; E604-K1209 IonicContact OE2-NZ 3.16Å; E604-K1209 PolarHBondContact OE2-NZ 2.85Å
605F42Very low37.9Very low24 Ų2486.1 Ų86.111%0.10542%0.421CS..Hα-helixtrans-65.2-45.5177.3178.4-108.8000111.6F588 I591 M592 A595 T601 H607 Y608 F609F588-F605 HydrophobicContact CD2-CE1 4.3Å; F588-F605 HydrophobicContact CE2-CD1 4.49Å; F588-F605 HydrophobicContact CE2-CE1 4.12Å; I591-F605 HydrophobicContact CB-CE1 4.04Å; I591-F605 HydrophobicContact CB-CE2 3.96Å; I591-F605 HydrophobicContact CB-CZ 3.46Å; I591-F605 VanDerWaalsContact CB-CZ 3.46Å; I591-F605 HydrophobicContact CD1-CZ 4.05Å; I591-F605 HydrophobicContact CG1-CZ 4.38Å; I591-F605 HydrophobicContact CG2-CD2 4.04Å; I591-F605 HydrophobicContact CG2-CE1 4.18Å; I591-F605 HydrophobicContact CG2-CE2 3.2Å; I591-F605 HydrophobicContact CG2-CZ 3.28Å; M592-F605 HydrophobicContact CG-CD1 4.3Å; M592-F605 HydrophobicContact SD-CD1 3.66Å; M592-F605 HydrophobicContact SD-CE1 4.4Å; A595-F605 HydrophobicContact CB-CB 3.74Å; A595-F605 HydrophobicContact CB-CD2 4.34Å; A595-F605 HydrophobicContact CB-CG 3.97Å; T601-F605 PolarHBondContact O-N 2.77Å; F605-H607 VanDerWaalsContact C-N 3.29Å; F605-H607 PolarHBondContact O-N 2.83Å; F605-Y608 PolarHBondContact O-N 3.46Å; F605-F609 HydrophobicContact CE1-CB 3.98Å; F605-F609 HydrophobicContact CE1-CD2 4.18Å; F605-F609 HydrophobicContact CE1-CG 4.15Å; F605-F609 HydrophobicContact CE2-CB 4.18Å; F605-F609 HydrophobicContact CE2-CD2 4.29Å; F605-F609 HydrophobicContact CZ-CB 3.75Å; F605-F609 AromaticContact CZ-CD2 3.52Å; F605-F609 HydrophobicContact CZ-CD2 3.52Å; F605-F609 HydrophobicContact CZ-CE2 4.4Å; F605-F609 AromaticContact CZ-CG 3.86Å; F605-F609 HydrophobicContact CZ-CG 3.86Å; F605-F609 VanDerWaalsContact O-CB 3.32Å; F605-F609 WeakPolarHBondContact O-CB 3.5Å; F605-F609 PolarHBondContact O-N 3.47Å
606K39.3Very low37.5Very low128 Ų12888.8 Ų88.856%0.55744%0.44SS*.Hα-helixtrans-63.4-32.8178.7-169.3174.9-174.2178.70112.2P602 E603 S610P602-K606 WeakPolarHBondContact O-CB 3.21Å; P602-K606 PolarHBondContact O-N 3Å; E603-K606 PolarHBondContact O-N 2.79Å; K606-S610 WeakPolarHBondContact O-CB 3.46Å; K606-S610 PolarHBondContact O-N 3.26Å; K606-S610 PolarHBondContact O-OG 1.95Å
607H40.1Very low37Very low98 Ų9885.4 Ų85.445%0.45443%0.426SS..Hα-helixtrans-63.6-52171.9-175.7114.4000111.3E603 E604 F605 F609 S610 K611E603-H607 VanDerWaalsContact O-CB 3.32Å; E603-H607 WeakPolarHBondContact O-CB 3.44Å; E603-H607 PolarHBondContact O-N 3.04Å; E604-H607 PolarHBondContact O-N 2.92Å; F605-H607 VanDerWaalsContact C-N 3.29Å; F605-H607 PolarHBondContact O-N 2.83Å; H607-F609 VanDerWaalsContact C-N 3.35Å; H607-F609 PolarHBondContact O-N 3.08Å; H607-S610 PolarHBondContact O-N 2.92Å; H607-K611 WeakPolarHBondContact O-CB 3.44Å; H607-K611 PolarHBondContact O-N 2.93Å
608Y38.8Very low36.8Very low150 Ų15084 Ų8459%0.58842%0.422SS*.Hα-helixtrans-60.3-43.6176.7-92.9-83.2000112E604 F605 K611 L612E604-Y608 PolarHBondContact O-N 3.18Å; E604-Y608 VanDerWaalsContact O-N 3.15Å; F605-Y608 PolarHBondContact O-N 3.46Å; Y608-K611 PolarHBondContact O-N 2.95Å; Y608-L612 WeakPolarHBondContact O-CG 3.46Å; Y608-L612 PolarHBondContact O-N 2.98Å
609F39.9Very low36.6Very low42 Ų4282.4 Ų82.418%0.18442%0.418CS..Hα-helixtrans-69.2-38.8179.6-165.7-96.5000112.5F588 I591 F605 H607 K611 L612 Q613F588-F609 HydrophobicContact CD2-CD1 4.37Å; F588-F609 HydrophobicContact CD2-CE1 4.37Å; I591-F609 HydrophobicContact CD1-CD2 4.35Å; I591-F609 HydrophobicContact CD1-CE2 3.97Å; F605-F609 HydrophobicContact CE1-CB 3.98Å; F605-F609 HydrophobicContact CE1-CD2 4.18Å; F605-F609 HydrophobicContact CE1-CG 4.15Å; F605-F609 HydrophobicContact CE2-CB 4.18Å; F605-F609 HydrophobicContact CE2-CD2 4.29Å; F605-F609 HydrophobicContact CZ-CB 3.75Å; F605-F609 AromaticContact CZ-CD2 3.52Å; F605-F609 HydrophobicContact CZ-CD2 3.52Å; F605-F609 HydrophobicContact CZ-CE2 4.4Å; F605-F609 AromaticContact CZ-CG 3.86Å; F605-F609 HydrophobicContact CZ-CG 3.86Å; F605-F609 VanDerWaalsContact O-CB 3.32Å; F605-F609 WeakPolarHBondContact O-CB 3.5Å; F605-F609 PolarHBondContact O-N 3.47Å; H607-F609 VanDerWaalsContact C-N 3.35Å; H607-F609 PolarHBondContact O-N 3.08Å; F609-K611 VanDerWaalsContact C-N 3.34Å; F609-L612 PolarHBondContact O-N 3.16Å; F609-Q613 HydrophobicContact CE1-CG 4.11Å; F609-Q613 WeakPolarHBondContact O-CB 3.36Å; F609-Q613 PolarHBondContact O-N 3.41Å
610S38.9Very low36.2Very low53 Ų5388 Ų8837%0.37142%0.423SS..Hα-helixtrans-66.8-33.7173.2-69.40000112.5K606 H607 Q613 L614K606-S610 WeakPolarHBondContact O-CB 3.46Å; K606-S610 PolarHBondContact O-N 3.26Å; K606-S610 PolarHBondContact O-OG 1.95Å; H607-S610 PolarHBondContact O-N 2.92Å; S610-Q613 PolarHBondContact O-N 2.87Å; S610-L614 WeakPolarHBondContact O-CB 3.21Å; S610-L614 PolarHBondContact O-N 3.43Å
611K38.6Very low35.9Very low124 Ų12489.1 Ų89.154%0.53943%0.427SS..Hα-helixtrans-67.5-44.4173.5-163.7173.1-176.2177.60111.2H607 Y608 F609 L614 E615H607-K611 WeakPolarHBondContact O-CB 3.44Å; H607-K611 PolarHBondContact O-N 2.93Å; Y608-K611 PolarHBondContact O-N 2.95Å; F609-K611 VanDerWaalsContact C-N 3.34Å; K611-L614 PolarHBondContact O-N 3.02Å; K611-E615 PolarHBondContact O-N 3.16Å
612L32.2Very low35.5Very low65 Ų6589.8 Ų89.834%0.3444%0.438SS..Hα-helixtrans-60.7-42.5170.7-77167.2000112.5Y608 F609 L614 S616Y608-L612 WeakPolarHBondContact O-CG 3.46Å; Y608-L612 PolarHBondContact O-N 2.98Å; F609-L612 PolarHBondContact O-N 3.16Å; L612-L614 VanDerWaalsContact C-N 3.34Å; L612-S616 VanDerWaalsContact O-CB 3.26Å; L612-S616 WeakPolarHBondContact O-CB 3.21Å; L612-S616 PolarHBondContact O-N 3.5Å; L612-S616 PolarHBondContact O-OG 3.36Å
613Q33.8Very low35.3Very low62 Ų6294 Ų9429%0.2945%0.446SS..Hα-helixtrans-65.5-35.8175.4-106.3-167.1-1400111.5E584 F609 S610 S616 L617E584-Q613 PolarHBondContact OE1-NE2 3.18Å; F609-Q613 HydrophobicContact CE1-CG 4.11Å; F609-Q613 WeakPolarHBondContact O-CB 3.36Å; F609-Q613 PolarHBondContact O-N 3.41Å; S610-Q613 PolarHBondContact O-N 2.87Å; Q613-S616 WeakPolarHBondContact CA-OG 3.14Å; Q613-S616 PolarHBondContact O-OG 2.84Å; Q613-L617 WeakPolarHBondContact O-CA 3.36Å; Q613-L617 WeakPolarHBondContact O-CB 3.31Å; Q613-L617 WeakPolarHBondContact O-CD1 3.45Å; Q613-L617 WeakPolarHBondContact O-CG 3.46Å; Q613-L617 PolarHBondContact O-N 2.98Å
614L31.6Very low34.4Very low110 Ų11090.2 Ų90.258%0.57643%0.434SS*.Hα-helixtrans-69-47.2176.9-98.8163.3000112.6S610 K611 L612 L617 Q618S610-L614 WeakPolarHBondContact O-CB 3.21Å; S610-L614 PolarHBondContact O-N 3.43Å; K611-L614 PolarHBondContact O-N 3.02Å; L612-L614 VanDerWaalsContact C-N 3.34Å; L614-L617 PolarHBondContact O-N 3.46Å; L614-Q618 WeakPolarHBondContact O-CG 3.35Å; L614-Q618 PolarHBondContact O-N 3.2Å
615E32.5Very low33.9Very low95 Ų9591.8 Ų91.844%0.44445%0.451SS..Hα-helixtrans-67.2-42.8176.8-71.2-173.4133.300111.8K611 L617 Q618 I619K611-E615 PolarHBondContact O-N 3.16Å; E615-L617 PolarHBondContact O-N 3.35Å; E615-Q618 PolarHBondContact O-N 2.98Å; E615-I619 WeakPolarHBondContact O-CG1 3.46Å; E615-I619 PolarHBondContact O-N 3.25Å
616S30.3Very low33.4Very low59 Ų59100.2 Ų100.241%0.41348%0.482SS..Hα-helixtrans-66.2-35.4174.161.20000112.7L612 Q613 Q618 I619 W620L612-S616 VanDerWaalsContact O-CB 3.26Å; L612-S616 WeakPolarHBondContact O-CB 3.21Å; L612-S616 PolarHBondContact O-N 3.5Å; L612-S616 PolarHBondContact O-OG 3.36Å; Q613-S616 WeakPolarHBondContact CA-OG 3.14Å; Q613-S616 PolarHBondContact O-OG 2.84Å; S616-Q618 PolarHBondContact O-N 3.1Å; S616-I619 PolarHBondContact O-N 3.4Å; S616-W620 WeakPolarHBondContact O-CB 3.38Å; S616-W620 PolarHBondContact O-N 2.94Å
617L30Very low32.8Very low71 Ų71101.6 Ų101.637%0.37249%0.488SS..Hα-helixtrans-66.7-32.5171.9-84.3164.6000112.7Q613 L614 E615 K621Q613-L617 WeakPolarHBondContact O-CA 3.36Å; Q613-L617 WeakPolarHBondContact O-CB 3.31Å; Q613-L617 WeakPolarHBondContact O-CD1 3.45Å; Q613-L617 WeakPolarHBondContact O-CG 3.46Å; Q613-L617 PolarHBondContact O-N 2.98Å; L614-L617 PolarHBondContact O-N 3.46Å; E615-L617 PolarHBondContact O-N 3.35Å; L617-K621 WeakPolarHBondContact O-CB 3.34Å; L617-K621 WeakPolarHBondContact O-CG 3.46Å; L617-K621 PolarHBondContact O-N 3.39Å
618Q33.8Very low32.1Very low125 Ų125104.1 Ų104.158%0.58450%0.5SS*.Hα-helixtrans-69.3-45.8173.1-69.8-66-5.400111.1L614 E615 S616 W620 A622L614-Q618 WeakPolarHBondContact O-CG 3.35Å; L614-Q618 PolarHBondContact O-N 3.2Å; E615-Q618 PolarHBondContact O-N 2.98Å; S616-Q618 PolarHBondContact O-N 3.1Å; Q618-W620 PolarHBondContact O-N 2.81Å; Q618-A622 WeakPolarHBondContact O-CB 3.47Å; Q618-A622 PolarHBondContact O-N 2.88Å
619I32.8Very low31.5Very low77 Ų77105.8 Ų105.840%0.39551%0.511SS..Hα-helixtrans-62.8-41.9176.1-65.1165.3000110.9E615 S616 A622 Y623E615-I619 WeakPolarHBondContact O-CG1 3.46Å; E615-I619 PolarHBondContact O-N 3.25Å; S616-I619 PolarHBondContact O-N 3.4Å; I619-A622 PolarHBondContact O-N 3.01Å; I619-Y623 PolarHBondContact O-N 2.83Å
620W25.7Very low30.8Very low172 Ų172110.7 Ų110.765%0.65253%0.534SS*.Hα-helixtrans-76.7-33.6-178.3-159.287.3000112.6S616 Q618 Y623 S624S616-W620 WeakPolarHBondContact O-CB 3.38Å; S616-W620 PolarHBondContact O-N 2.94Å; Q618-W620 PolarHBondContact O-N 2.81Å; W620-Y623 PolarHBondContact O-N 2.84Å; W620-S624 VanDerWaalsContact O-CB 3.27Å; W620-S624 WeakPolarHBondContact O-CB 3.42Å; W620-S624 PolarHBondContact O-N 2.91Å
621K30.2Very low30.2Very low116 Ų116115.8 Ų115.850%0.50455%0.552SS.*Hα-helixtrans-64.8-42.8167.6-77.3172.3179.6179.10111L617 Y623 S624 S625L617-K621 WeakPolarHBondContact O-CB 3.34Å; L617-K621 WeakPolarHBondContact O-CG 3.46Å; L617-K621 PolarHBondContact O-N 3.39Å; K621-Y623 VanDerWaalsContact C-N 3.25Å; K621-Y623 PolarHBondContact O-N 2.72Å; K621-S624 PolarHBondContact O-N 3.49Å; K621-S624 VanDerWaalsContact O-N 3.14Å; K621-S625 WeakPolarHBondContact O-CB 3.43Å; K621-S625 PolarHBondContact O-N 2.86Å; K621-S625 PolarHBondContact O-OG 3.39Å
622A34.4Very low29.5Very low67 Ų67114.4 Ų114.455%0.55456%0.558SS**Hα-helixtrans-59-36.3173.600000112.4Q618 I619Q618-A622 WeakPolarHBondContact O-CB 3.47Å; Q618-A622 PolarHBondContact O-N 2.88Å; I619-A622 PolarHBondContact O-N 3.01Å
623Y31.7Very low29Very low154 Ų154118 Ų11860%0.60458%0.577SS**Hα-helixtrans-69.8-45.1170.8-108.5-87.7000113.4I619 W620 K621 R626 K627I619-Y623 PolarHBondContact O-N 2.83Å; W620-Y623 PolarHBondContact O-N 2.84Å; K621-Y623 VanDerWaalsContact C-N 3.25Å; K621-Y623 PolarHBondContact O-N 2.72Å; Y623-R626 WeakPolarHBondContact O-CA 3.32Å; Y623-R626 VanDerWaalsContact O-CB 3.29Å; Y623-R626 WeakPolarHBondContact O-CB 3.35Å; Y623-R626 PolarHBondContact O-N 2.96Å; Y623-R626 VanDerWaalsContact O-N 3.12Å; Y623-K627 PolarHBondContact O-N 2.92Å; Y623-K627 VanDerWaalsContact O-N 3.13Å
624S28.2Very low28.6Very low48 Ų48122 Ų12234%0.33660%0.6SS.*Hα-helixtrans-68.5-43.2-175.4-170.10000112.3W620 K621 R626 K627 Q628W620-S624 VanDerWaalsContact O-CB 3.27Å; W620-S624 WeakPolarHBondContact O-CB 3.42Å; W620-S624 PolarHBondContact O-N 2.91Å; K621-S624 PolarHBondContact O-N 3.49Å; K621-S624 VanDerWaalsContact O-N 3.14Å; S624-R626 PolarHBondContact O-N 3.49Å; S624-K627 WeakPolarHBondContact O-CB 3.3Å; S624-K627 PolarHBondContact O-N 2.79Å; S624-Q628 PolarHBondContact O-N 2.79Å
625S28.4Very low28.1Very low87 Ų87125.3 Ų125.361%0.60862%0.615SS**Hα-helixtrans-60.3-25.2170.7-62.60000112.8K621K621-S625 WeakPolarHBondContact O-CB 3.43Å; K621-S625 PolarHBondContact O-N 2.86Å; K621-S625 PolarHBondContact O-OG 3.39Å
626R29.5Very low27.7Very low201 Ų201127.7 Ų127.776%0.75863%0.629SS**Hα-helixtrans-75.9-35172.1-129174.9-164.7-175.94.8112.8Y623 S624Y623-R626 WeakPolarHBondContact O-CA 3.32Å; Y623-R626 VanDerWaalsContact O-CB 3.29Å; Y623-R626 WeakPolarHBondContact O-CB 3.35Å; Y623-R626 PolarHBondContact O-N 2.96Å; Y623-R626 VanDerWaalsContact O-N 3.12Å; S624-R626 PolarHBondContact O-N 3.49Å
627K27.1Very low27.3Very low157 Ų157133.2 Ų133.268%0.68365%0.648SS**Hα-helixtrans-65.8-41.9178.2-109.6-177.1177.8-179.90113Y623 S624 F629 Q630Y623-K627 PolarHBondContact O-N 2.92Å; Y623-K627 VanDerWaalsContact O-N 3.13Å; S624-K627 WeakPolarHBondContact O-CB 3.3Å; S624-K627 PolarHBondContact O-N 2.79Å; K627-F629 PolarHBondContact O-N 3.3Å; K627-Q630 PolarHBondContact O-N 3.32Å; K627-Q630 VanDerWaalsContact O-N 3.16Å
628Q26.3Very low27.1Very low152 Ų152135.8 Ų135.871%0.7167%0.67SS**THydrogen-bonded Turntrans-62-25.5-176-80.1-169.9-24.600114S624 Q630S624-Q628 PolarHBondContact O-N 2.79Å; Q628-Q630 VanDerWaalsContact C-N 3.34Å; Q628-Q630 PolarHBondContact O-N 2.64Å
629F24.8Very low26.5Very low184 Ų184136.5 Ų136.581%0.80768%0.677SS**THydrogen-bonded Turntrans-81.5-7.1179.7-135.1-87.3000114.5K627K627-F629 PolarHBondContact O-N 3.3Å
630Q25.7Very low25.9Very low146 Ų146139.6 Ų139.668%0.68269%0.694SS**THydrogen-bonded Turntrans-108-14.1-177.6-69.2-172-78.900115K627 Q628 S632K627-Q630 PolarHBondContact O-N 3.32Å; K627-Q630 VanDerWaalsContact O-N 3.16Å; Q628-Q630 VanDerWaalsContact C-N 3.34Å; Q628-Q630 PolarHBondContact O-N 2.64Å; Q630-S632 PolarHBondContact O-N 2.68Å
631Q25.9Very low25.7Very low159 Ų159136.4 Ų136.474%0.74370%0.698SS**THydrogen-bonded Turntrans-71.8-11.3-178.3-75-174.5-4000114.5
632S24.4Very low25.2Very low95 Ų95137.7 Ų137.766%0.66472%0.716SS**THydrogen-bonded Turntrans-84.1-9.4-175.7550000115.7Q630Q630-S632 PolarHBondContact O-N 2.68Å
633L22.8Very low24.5Very low140 Ų140142.6 Ų142.673%0.73373%0.732SS**SBendtrans-108.5-15.1-168-82.2168.2000116.6
634N25Very low23.9Very low147 Ų147138.4 Ų138.479%0.78674%0.735SS**  trans-100.518.6-169.7-75.50.6000115.6I636N634-I636 PolarHBondContact O-N 2.8Å
635M21.2Very low23.6Very low179 Ų179142.3 Ų142.388%0.88276%0.757SS**  trans-81.546.8175.7-75-64.2-6900113.6
636I23.8Very low23.2Very low145 Ų145146 Ų14674%0.74477%0.769SS**  trans-137.4101.5169.5-54.7-179.4000109.1N634 P638N634-I636 PolarHBondContact O-N 2.8Å; I636-P638 WeakPolarHBondContact O-CD 3.06Å
637Q22.5Very low23.1Very low175 Ų175141.4 Ų141.482%0.81877%0.765SS**  trans-87.4124.8167-75.4-173.6-23.200110.6
638P24.5Very low22.9Very low126 Ų126142.8 Ų142.882%0.81877%0.772SS**  trans-90.3104.5159.44.516.1000108.5I636I636-P638 WeakPolarHBondContact O-CD 3.06Å
639L21Very low22.8Very low140 Ų140141.8 Ų141.873%0.73377%0.771SS**  trans-87.9138.1-177.7-169.869.4000112.4
640D21.9Very low22.7Very low141 Ų141140.3 Ų140.375%0.75477%0.766SS**  trans35.4132.8161.5-69-39.6000123
641S19.7Very low22.6Very low105 Ų105140 Ų14073%0.73477%0.768SS**  trans-72.8139.4164.3640000113.1
642T21.1Very low22.4Very low143 Ų143139.9 Ų139.988%0.87777%0.772SS**  trans-176.2164.4131.720.80000112.8
643L19.7Very low22.6Very low171 Ų171140.3 Ų140.390%0.89577%0.773SS**  trans71.381.7154.2-154.974000120.6
644G18.4Very low22.9Very low65 Ų65138.5 Ų138.567%0.6777%0.768SS**  87.8125.8106.200000122.6
645T21.4Very low23Very low131 Ų131137.5 Ų137.580%0.80476%0.76SS**  trans84.3125.7142.122.20000123.7
646L20.6Very low23.5Very low163 Ų163134.4 Ų134.485%0.85375%0.747SS**  trans72.5159155.1-92.771.8000118.3
647P28.1Very low23.8Very low105 Ų105134.6 Ų134.668%0.68275%0.745SS**  trans-135.4173.7-138.241.8-24.3000115.8
648K23Very low24.1Very low187 Ų187131.8 Ų131.881%0.81373%0.734SS**  trans-170132.4136.8-104148.3-171.8174.30114.3
649N22.6Very low24.3Very low130 Ų130130.3 Ų130.370%0.69572%0.719SS**  trans70.3122.8136.2-66.813.6000122.7
650H23.4Very low24.7Very low153 Ų153129.6 Ų129.671%0.70872%0.716SS**  trans84.795.7143.6-66.4-53.6000122
651I23.8Very low25.1Very low141 Ų141129.6 Ų129.672%0.72372%0.716SS**  70.698.3129.1-57.2160.6000116.4
652N21.6Very low25.5Very low155 Ų155129.6 Ų129.683%0.82971%0.707SS**PPolyproline II helixtrans-75.6132.4152.9-64.2-13.9000109.7
653P28.1Very low25.7Very low104 Ų104128 Ų12868%0.67569%0.693SS**PPolyproline II helixtrans-76.1154.9144.133.4-30.2000110
654T29.9Very low26Very low102 Ų102128.2 Ų128.263%0.62669%0.687SS**PPolyproline II helixtrans-85.5152.7-171.2-43.80000112.7D656 Q657T654-D656 PolarHBondContact O-N 3.46Å; T654-Q657 PolarHBondContact O-N 3.29Å
655M27.6Very low26.3Very low127 Ų127132.9 Ų132.963%0.62670%0.696SS**G310 helixtrans-44.5-32.6179.8-91.3-71-67.300115.7Q657 L658M655-Q657 PolarHBondContact O-N 3.31Å; M655-Q657 VanDerWaalsContact O-N 3.07Å; M655-L658 PolarHBondContact O-N 3.48Å
656D31.5Very low26.4Very low113 Ų113131.7 Ų131.760%0.60469%0.685SS**G310 helixtrans-59.2-23.7-174-50.9-54.8000113.5T654T654-D656 PolarHBondContact O-N 3.46Å
657Q28.6Very low26.6Very low150 Ų150131 Ų13170%0.70168%0.682SS**G310 helixtrans-87.2-14.3177.3-68-165-58.500115T654 M655T654-Q657 PolarHBondContact O-N 3.29Å; M655-Q657 PolarHBondContact O-N 3.31Å; M655-Q657 VanDerWaalsContact O-N 3.07Å
658L28.9Very low26.4Very low115 Ų115134.5 Ų134.560%0.60269%0.69SS**Hα-helixtrans-82.5-17.7170.7-83.3172.4000112.4M655 I662M655-L658 PolarHBondContact O-N 3.48Å; L658-I662 WeakPolarHBondContact O-CD1 3.5Å; L658-I662 WeakPolarHBondContact O-CG1 3.38Å
659L29.7Very low26.3Very low96 Ų96133.4 Ų133.450%0.50369%0.692SS.*Hα-helixtrans-79-25.1-178.5-82.2156.6000113.9N663L659-N663 PolarHBondContact O-ND2 2.8Å
660D29.5Very low26.3Very low125 Ų125136 Ų13667%0.66870%0.697SS**Hα-helixtrans-81.7-38.2179.8-86.9-16.2000113.4N663D660-N663 PolarHBondContact O-N 2.87Å
661D30.3Very low26.3Very low140 Ų140135.9 Ų135.975%0.74970%0.701SS**Hα-helixtrans-74.8-25.1-178.8-84.2-23000113.3
662I27.5Very low26.2Very low105 Ų105134.5 Ų134.554%0.53870%0.7SS.*Hα-helixtrans-75.5-25.9175.7-65.8174.3000111.4L658 K664L658-I662 WeakPolarHBondContact O-CD1 3.5Å; L658-I662 WeakPolarHBondContact O-CG1 3.38Å; I662-K664 PolarHBondContact O-N 3.01Å
663N26.7Very low26.3Very low111 Ų111133.2 Ų133.259%0.59470%0.698SS**THydrogen-bonded Turntrans-73.429.6-176.7-92.1-38.2000115.1L659 D660L659-N663 PolarHBondContact O-ND2 2.8Å; D660-N663 PolarHBondContact O-N 2.87Å
664K25.9Very low26Very low174 Ų174135.2 Ų135.276%0.75770%0.701SS**THydrogen-bonded Turntrans-130.8-6.8178.8-86-177.9179.2164.90117.2I662I662-K664 PolarHBondContact O-N 3.01Å
665N24.6Very low25.8Very low163 Ų163135.4 Ų135.487%0.87270%0.704SS**SBendtrans-140.328.5174.9-73.2-64.4000113.5
666N22.6Very low25.8Very low106 Ų106138 Ų13857%0.56771%0.712SS**  trans-76.5121.1161.7-75.6-36.6000109
667D25.6Very low25.7Very low148 Ų148139.9 Ų139.979%0.79172%0.722SS**SBendtrans163.960.2134.8-81.7-10.4000111.9
668Q22.5Very low25.9Very low180 Ų180137.9 Ų137.984%0.84172%0.716SS**SBendtrans-179.573.8154.4-103.9155.1103.100110.9
669L21.9Very low25.8Very low163 Ų163137.1 Ų137.185%0.85372%0.719SS**  trans-172.876.9157-107.2159.7000110.1
670K21.8Very low25.9Very low185 Ų185139.4 Ų139.480%0.80472%0.721SS**  trans-124.3162.3157.4-74.6-175.3177.1175.70107.9
671D23.1Very low25.9Very low150 Ų150137.7 Ų137.780%0.80271%0.712SS**  trans68.744.7163-44.9-31000116.8
672T22.8Very low25.8Very low113 Ų113136.8 Ų136.869%0.69371%0.706SS**  trans-127.354.8148.962.90000111.7I674T672-I674 PolarHBondContact O-N 2.85Å
673T22.5Very low26Very low128 Ų128138.3 Ų138.379%0.78571%0.706SS**  trans-71.7103.1159.2-59.10000107.2P675T673-P675 WeakPolarHBondContact O-CD 3.41Å
674I22.7Very low26.3Very low145 Ų145138.5 Ų138.574%0.74470%0.704SS**  trans-89111.2172-59.7175.8000107.2T672T672-I674 PolarHBondContact O-N 2.85Å
675P26.3Very low26.7Very low107 Ų107134.2 Ų134.270%0.69569%0.689SS**  trans-71.7153.8174.3-12.430.2000110.6T673T673-P675 WeakPolarHBondContact O-CD 3.41Å
676F26.2Very low27Very low182 Ų182130.4 Ų130.480%0.79867%0.668SS**SBendtrans-81.4173.9162.6-83.8-122.3000109.9
677D30.6Very low27.6Very low152 Ų152127.9 Ų127.981%0.81366%0.659SS**  trans70.439.3155.4-47.7-36.4000118.8
678D33Very low28.2Very low107 Ų107124.9 Ų124.957%0.57265%0.645SS**  trans-121.3103.8166.9-158-26.2000114.2Y680D678-Y680 VanDerWaalsContact C-N 3.28Å; D678-Y680 PolarHBondContact O-N 3.05Å; D678-Y680 WeakPolarHBondContact OD1-CB 3.3Å; D678-Y680 WeakPolarHBondContact OD1-CD2 3.38Å; D678-Y680 PolarHBondContact OD1-N 3.35Å
679P26.5Very low28.8Very low100 Ų100118.7 Ų118.765%0.64962%0.618SS**THydrogen-bonded Turntrans-68.7-17172.8-20.633.8000115.1L681 L682P679-L681 PolarHBondContact O-N 3.37Å; P679-L682 PolarHBondContact O-N 2.81Å
680Y30.7Very low29.6Very low143 Ų143115.2 Ų115.256%0.56160%0.596SS**Hα-helixtrans-66.7-20.8-172.2-71.4-120.7000111.9D678 L682 Y683 E684D678-Y680 VanDerWaalsContact C-N 3.28Å; D678-Y680 PolarHBondContact O-N 3.05Å; D678-Y680 WeakPolarHBondContact OD1-CB 3.3Å; D678-Y680 WeakPolarHBondContact OD1-CD2 3.38Å; D678-Y680 PolarHBondContact OD1-N 3.35Å; Y680-L682 PolarHBondContact O-N 3.28Å; Y680-Y683 CarbonylContact O-C 3.36Å; Y680-Y683 WeakPolarHBondContact O-CA 3.43Å; Y680-Y683 VanDerWaalsContact O-CB 3.31Å; Y680-Y683 WeakPolarHBondContact O-CB 3.2Å; Y680-Y683 PolarHBondContact O-N 3.34Å; Y680-E684 PolarHBondContact O-N 2.93Å
681L30.7Very low30.5Very low89 Ų89111.6 Ų111.647%0.46658%0.584SS.*Hα-helixtrans-62.5-26.3177.7-14180.7000113.5P679 N685P679-L681 PolarHBondContact O-N 3.37Å; L681-N685 PolarHBondContact O-N 2.84Å; L681-N685 VanDerWaalsContact O-N 3.12Å; L681-N685 PolarHBondContact O-ND2 3.1Å
682L28.3Very low31.4Very low121 Ų121109.7 Ų109.763%0.63457%0.571SS**Hα-helixtrans-73.4-35.2170.3-86168000111.8P679 Y680 L686P679-L682 PolarHBondContact O-N 2.81Å; Y680-L682 PolarHBondContact O-N 3.28Å; L682-L686 WeakPolarHBondContact O-CB 3.34Å; L682-L686 WeakPolarHBondContact O-CG 3.41Å; L682-L686 PolarHBondContact O-N 3.33Å
683Y30.8Very low32Very low138 Ų138107.7 Ų107.754%0.54156%0.555SS.*Hα-helixtrans-69.2-38.5173.9-111.8-79.7000112Y680 L686 S687Y680-Y683 CarbonylContact O-C 3.36Å; Y680-Y683 WeakPolarHBondContact O-CA 3.43Å; Y680-Y683 VanDerWaalsContact O-CB 3.31Å; Y680-Y683 WeakPolarHBondContact O-CB 3.2Å; Y680-Y683 PolarHBondContact O-N 3.34Å; Y683-L686 PolarHBondContact O-N 3.29Å; Y683-S687 VanDerWaalsContact O-CB 3.31Å; Y683-S687 WeakPolarHBondContact O-CB 3.39Å; Y683-S687 PolarHBondContact O-N 2.85Å; Y683-S687 PolarHBondContact O-OG 3.47Å
684E32.2Very low32.7Very low115 Ų115106.6 Ų106.654%0.53754%0.541SS..Hα-helixtrans-65.4-43.2172.9-72-163.7144.200112.1Y680 L686 S687 V688Y680-E684 PolarHBondContact O-N 2.93Å; E684-L686 VanDerWaalsContact C-N 3.33Å; E684-L686 PolarHBondContact O-N 3.31Å; E684-S687 WeakPolarHBondContact CA-OG 3.42Å; E684-S687 PolarHBondContact O-N 3.41Å; E684-S687 PolarHBondContact O-OG 3.43Å; E684-S687 VanDerWaalsContact O-OG 3.04Å; E684-V688 WeakPolarHBondContact O-CB 3.27Å; E684-V688 VanDerWaalsContact O-CG2 3.26Å; E684-V688 WeakPolarHBondContact O-CG2 3.42Å; E684-V688 PolarHBondContact O-N 2.91Å
685N34.8Very low33.5Very low83 Ų83106.3 Ų106.344%0.44453%0.532SS..Hα-helixtrans-66.6-35.5177.2-80.2-80.2000112.1L681 L689L681-N685 PolarHBondContact O-N 2.84Å; L681-N685 VanDerWaalsContact O-N 3.12Å; L681-N685 PolarHBondContact O-ND2 3.1Å; N685-L689 WeakPolarHBondContact O-CB 3.29Å; N685-L689 WeakPolarHBondContact O-CG 3.33Å; N685-L689 PolarHBondContact O-N 3.48Å
686L31.7Very low34.1Very low83 Ų83104.1 Ų104.144%0.43551%0.512SS..Hα-helixtrans-70.5-36.5171.9-75.2170.3000112.8L682 Y683 E684 L689 F690L682-L686 WeakPolarHBondContact O-CB 3.34Å; L682-L686 WeakPolarHBondContact O-CG 3.41Å; L682-L686 PolarHBondContact O-N 3.33Å; Y683-L686 PolarHBondContact O-N 3.29Å; E684-L686 VanDerWaalsContact C-N 3.33Å; E684-L686 PolarHBondContact O-N 3.31Å; L686-L689 PolarHBondContact O-N 2.82Å; L686-F690 PolarHBondContact O-N 2.86Å
687S34.8Very low34.6Very low53 Ų5399.4 Ų99.437%0.37149%0.494SS..Hα-helixtrans-70.9-38.2176.578.40000111.4Y683 E684 F690 I691Y683-S687 VanDerWaalsContact O-CB 3.31Å; Y683-S687 WeakPolarHBondContact O-CB 3.39Å; Y683-S687 PolarHBondContact O-N 2.85Å; Y683-S687 PolarHBondContact O-OG 3.47Å; E684-S687 WeakPolarHBondContact CA-OG 3.42Å; E684-S687 PolarHBondContact O-N 3.41Å; E684-S687 PolarHBondContact O-OG 3.43Å; E684-S687 VanDerWaalsContact O-OG 3.04Å; S687-F690 PolarHBondContact O-N 3.49Å; S687-I691 VanDerWaalsContact O-CB 3.3Å; S687-I691 WeakPolarHBondContact O-CB 3.45Å; S687-I691 WeakPolarHBondContact O-CD1 3.13Å; S687-I691 WeakPolarHBondContact O-CG1 3.44Å; S687-I691 PolarHBondContact O-N 2.79Å
688V39.1Very low34.8Very low85 Ų8595.4 Ų95.452%0.51547%0.473SS..Hα-helixtrans-61.9-43.5171.2168.60000110.8E684 I691 Q692E684-V688 WeakPolarHBondContact O-CB 3.27Å; E684-V688 VanDerWaalsContact O-CG2 3.26Å; E684-V688 WeakPolarHBondContact O-CG2 3.42Å; E684-V688 PolarHBondContact O-N 2.91Å; V688-I691 PolarHBondContact O-N 2.89Å; V688-Q692 VanDerWaalsContact O-CB 3.28Å; V688-Q692 WeakPolarHBondContact O-CB 3.23Å; V688-Q692 PolarHBondContact O-N 2.92Å
689L34.7Very low35Very low50 Ų5094.1 Ų94.126%0.26246%0.462SS..Hα-helixtrans-60.8-46.1172.7-81.1165.3000112N685 L686 I691 Q692 I693N685-L689 WeakPolarHBondContact O-CB 3.29Å; N685-L689 WeakPolarHBondContact O-CG 3.33Å; N685-L689 PolarHBondContact O-N 3.48Å; L686-L689 PolarHBondContact O-N 2.82Å; L689-I691 PolarHBondContact O-N 3.12Å; L689-Q692 WeakPolarHBondContact O-CB 3.18Å; L689-Q692 PolarHBondContact O-N 3.4Å; L689-I693 WeakPolarHBondContact O-CD1 3.42Å; L689-I693 VanDerWaalsContact O-CG1 3.26Å; L689-I693 WeakPolarHBondContact O-CG1 3.27Å; L689-I693 PolarHBondContact O-N 2.92Å
690F38.5Very low35.4Very low91 Ų9195 Ų9540%0.39946%0.46SS..Hα-helixtrans-65.8-36176.4-99.3-74.8000113.4Y509 L686 S687 I693 E694Y509-F690 WeakPolarHBondContact OH-CD1 3.24Å; Y509-F690 WeakPolarHBondContact OH-CD2 3.49Å; Y509-F690 WeakPolarHBondContact OH-CE1 3.41Å; Y509-F690 WeakPolarHBondContact OH-CG 3.43Å; L686-F690 PolarHBondContact O-N 2.86Å; S687-F690 PolarHBondContact O-N 3.49Å; F690-I693 PolarHBondContact O-N 2.88Å; F690-E694 WeakPolarHBondContact O-CB 3.43Å; F690-E694 PolarHBondContact O-N 2.9Å
691I40.6Very low35.4Very low108 Ų10894.3 Ų94.355%0.55446%0.457SS*.Hα-helixtrans-68.5-37.5173.9-71.6163.7000110.5S687 V688 L689 Y695S687-I691 VanDerWaalsContact O-CB 3.3Å; S687-I691 WeakPolarHBondContact O-CB 3.45Å; S687-I691 WeakPolarHBondContact O-CD1 3.13Å; S687-I691 WeakPolarHBondContact O-CG1 3.44Å; S687-I691 PolarHBondContact O-N 2.79Å; V688-I691 PolarHBondContact O-N 2.89Å; L689-I691 PolarHBondContact O-N 3.12Å; I691-Y695 WeakPolarHBondContact O-CB 3.23Å; I691-Y695 PolarHBondContact O-N 2.91Å
692Q42.6Very low35.4Very low110 Ų11097.4 Ų97.451%0.51447%0.466SS..Hα-helixtrans-64.8-41174-165.775.6-1.100111V688 L689 Y695 E696V688-Q692 VanDerWaalsContact O-CB 3.28Å; V688-Q692 WeakPolarHBondContact O-CB 3.23Å; V688-Q692 PolarHBondContact O-N 2.92Å; L689-Q692 WeakPolarHBondContact O-CB 3.18Å; L689-Q692 PolarHBondContact O-N 3.4Å; Q692-Y695 PolarHBondContact O-N 3.46Å; Q692-E696 WeakPolarHBondContact O-CG 3.38Å; Q692-E696 PolarHBondContact O-N 3.26Å
693I35.1Very low35.3Very low72 Ų7299 Ų9937%0.36947%0.468SS..Hα-helixtrans-64.4-52.5174.2-69.6162.7000110.7L689 F690 Y695 E696 I697L689-I693 WeakPolarHBondContact O-CD1 3.42Å; L689-I693 VanDerWaalsContact O-CG1 3.26Å; L689-I693 WeakPolarHBondContact O-CG1 3.27Å; L689-I693 PolarHBondContact O-N 2.92Å; F690-I693 PolarHBondContact O-N 2.88Å; I693-Y695 VanDerWaalsContact C-N 3.26Å; I693-Y695 PolarHBondContact O-N 2.85Å; I693-E696 PolarHBondContact O-N 2.91Å; I693-I697 HydrophobicContact CG2-CD1 3.67Å; I693-I697 HydrophobicContact CG2-CG1 4.48Å; I693-I697 WeakPolarHBondContact O-CB 3.36Å; I693-I697 VanDerWaalsContact O-CG1 3.23Å; I693-I697 WeakPolarHBondContact O-CG1 3.35Å; I693-I697 PolarHBondContact O-N 2.92Å
694E35.7Very low35.3Very low105 Ų10596.7 Ų96.749%0.49147%0.473SS..Hα-helixtrans-53.8-42172.9-92.5-92.5122.600111.8F690 N698F690-E694 WeakPolarHBondContact O-CB 3.43Å; F690-E694 PolarHBondContact O-N 2.9Å; E694-N698 VanDerWaalsContact O-CB 3.23Å; E694-N698 WeakPolarHBondContact O-CB 3.38Å; E694-N698 PolarHBondContact O-N 3.22Å; E694-N698 PolarHBondContact O-ND2 3.03Å
695Y40.6Very low35Very low139 Ų13998.4 Ų98.455%0.54549%0.485SS..Hα-helixtrans-67.5-47.4-179.1177.1-97.7000111.9I691 Q692 I693 N698 K699I691-Y695 WeakPolarHBondContact O-CB 3.23Å; I691-Y695 PolarHBondContact O-N 2.91Å; Q692-Y695 PolarHBondContact O-N 3.46Å; I693-Y695 VanDerWaalsContact C-N 3.26Å; I693-Y695 PolarHBondContact O-N 2.85Å; Y695-N698 PolarHBondContact O-N 3.49Å; Y695-K699 HydrophobicContact CD1-CD 4.43Å; Y695-K699 HydrophobicContact CE1-CD 3.82Å; Y695-K699 WeakPolarHBondContact O-CB 3.37Å; Y695-K699 PolarHBondContact O-N 2.99Å
696E39.1Very low34.5Very low61 Ų61102.4 Ų102.429%0.28550%0.498SS..Hα-helixtrans-67-39.5177.5-69.8-61.4138.400111.6Q692 I693 N698 K699 I700Q692-E696 WeakPolarHBondContact O-CG 3.38Å; Q692-E696 PolarHBondContact O-N 3.26Å; I693-E696 PolarHBondContact O-N 2.91Å; E696-N698 PolarHBondContact O-N 3Å; E696-K699 PolarHBondContact O-N 3.41Å; E696-K699 WeakPolarHBondContact OE1-CD 3.42Å; E696-K699 IonicContact OE1-NZ 2.69Å; E696-K699 PolarHBondContact OE1-NZ 3.33Å; E696-K699 WeakPolarHBondContact OE2-CD 3.21Å; E696-K699 WeakPolarHBondContact OE2-CE 3.29Å; E696-K699 IonicContact OE2-NZ 2.64Å; E696-K699 PolarHBondContact OE2-NZ 3.49Å; E696-I700 WeakPolarHBondContact O-CB 3.39Å; E696-I700 WeakPolarHBondContact O-CD1 3.26Å; E696-I700 VanDerWaalsContact O-CG1 3.25Å; E696-I700 WeakPolarHBondContact O-CG1 3.48Å; E696-I700 PolarHBondContact O-N 2.84Å
697I36.3Very low34.1Very low82 Ų82105.4 Ų105.442%0.42152%0.515SS..Hα-helixtrans-57.9-48.7170.4-70.2168.1000111I693 K699 I700 R701I693-I697 HydrophobicContact CG2-CD1 3.67Å; I693-I697 HydrophobicContact CG2-CG1 4.48Å; I693-I697 WeakPolarHBondContact O-CB 3.36Å; I693-I697 VanDerWaalsContact O-CG1 3.23Å; I693-I697 WeakPolarHBondContact O-CG1 3.35Å; I693-I697 PolarHBondContact O-N 2.92Å; I697-K699 VanDerWaalsContact C-N 3.33Å; I697-K699 PolarHBondContact O-N 3.04Å; I697-I700 PolarHBondContact O-N 2.79Å; I697-R701 WeakPolarHBondContact O-CB 3.1Å; I697-R701 PolarHBondContact O-N 3.31Å
698N35.2Very low33.4Very low69 Ų69111.6 Ų111.637%0.36954%0.538SS..Hα-helixtrans-67.9-31.5179.5-87-77.5000113.1E694 Y695 E696 K702E694-N698 VanDerWaalsContact O-CB 3.23Å; E694-N698 WeakPolarHBondContact O-CB 3.38Å; E694-N698 PolarHBondContact O-N 3.22Å; E694-N698 PolarHBondContact O-ND2 3.03Å; Y695-N698 PolarHBondContact O-N 3.49Å; E696-N698 PolarHBondContact O-N 3Å; N698-K702 VanDerWaalsContact O-CB 3.29Å; N698-K702 WeakPolarHBondContact O-CB 3.28Å; N698-K702 PolarHBondContact O-N 2.88Å
699K36.9Very low32.5Very low79 Ų79115.5 Ų115.534%0.34355%0.554SS.*Hα-helixtrans-68.8-47.3175.5176.3177.7160.2-144.40110.3Y695 E696 I697 K702 F703Y695-K699 HydrophobicContact CD1-CD 4.43Å; Y695-K699 HydrophobicContact CE1-CD 3.82Å; Y695-K699 WeakPolarHBondContact O-CB 3.37Å; Y695-K699 PolarHBondContact O-N 2.99Å; E696-K699 PolarHBondContact O-N 3.41Å; E696-K699 WeakPolarHBondContact OE1-CD 3.42Å; E696-K699 IonicContact OE1-NZ 2.69Å; E696-K699 PolarHBondContact OE1-NZ 3.33Å; E696-K699 WeakPolarHBondContact OE2-CD 3.21Å; E696-K699 WeakPolarHBondContact OE2-CE 3.29Å; E696-K699 IonicContact OE2-NZ 2.64Å; E696-K699 PolarHBondContact OE2-NZ 3.49Å; I697-K699 VanDerWaalsContact C-N 3.33Å; I697-K699 PolarHBondContact O-N 3.04Å; K699-K702 PolarHBondContact O-N 2.9Å; K699-F703 HydrophobicContact CG-CD2 4.32Å; K699-F703 HydrophobicContact CG-CE2 4.23Å; K699-F703 VanDerWaalsContact O-CD2 3.27Å; K699-F703 WeakPolarHBondContact O-CD2 3.44Å; K699-F703 PolarHBondContact O-N 3.31Å; K699-F703 VanDerWaalsContact O-N 3.07Å
700I34.2Very low31.9Very low119 Ų119119.9 Ų119.961%0.6158%0.583SS**Hα-helixtrans-59.6-50.4173-67163.8000110.3E696 I697 K702 F703 S704E696-I700 WeakPolarHBondContact O-CB 3.39Å; E696-I700 WeakPolarHBondContact O-CD1 3.26Å; E696-I700 VanDerWaalsContact O-CG1 3.25Å; E696-I700 WeakPolarHBondContact O-CG1 3.48Å; E696-I700 PolarHBondContact O-N 2.84Å; I697-I700 PolarHBondContact O-N 2.79Å; I700-K702 VanDerWaalsContact C-N 3.33Å; I700-K702 PolarHBondContact O-N 2.98Å; I700-F703 PolarHBondContact O-N 3.39Å; I700-F703 VanDerWaalsContact O-N 3.12Å; I700-S704 PolarHBondContact O-N 2.92Å
701R31.2Very low31Very low128 Ų128120 Ų12048%0.48360%0.595SS.*Hα-helixtrans-55-42.8174-82.6-174.8163.5-138.5-7.7112.7I697 F703 S704 L705 E1143I697-R701 WeakPolarHBondContact O-CB 3.1Å; I697-R701 PolarHBondContact O-N 3.31Å; R701-F703 VanDerWaalsContact C-N 3.34Å; R701-F703 PolarHBondContact O-N 3.01Å; R701-S704 PolarHBondContact O-N 3.48Å; R701-L705 PolarHBondContact O-N 2.89Å; R701-E1143 IonicContact CZ-OE1 3.92Å; R701-E1143 VanDerWaalsContact CZ-OE1 3.23Å; R701-E1143 IonicContact NH1-OE1 2.69Å; R701-E1143 PolarHBondContact NH1-OE1 2.79Å; R701-E1143 IonicContact NH1-OE2 3.87Å; R701-E1143 IonicContact NH2-OE1 2.62Å; R701-E1143 PolarHBondContact NH2-OE1 2.98Å
702K30.9Very low30.1Very low154 Ų154119.9 Ų119.967%0.6760%0.604SS**Hα-helixtrans-71.2-19.6178.6-92.3175.6176.5160.40115.3N698 K699 I700N698-K702 VanDerWaalsContact O-CB 3.29Å; N698-K702 WeakPolarHBondContact O-CB 3.28Å; N698-K702 PolarHBondContact O-N 2.88Å; K699-K702 PolarHBondContact O-N 2.9Å; I700-K702 VanDerWaalsContact C-N 3.33Å; I700-K702 PolarHBondContact O-N 2.98Å
703F27Very low29.1Very low154 Ų154123.8 Ų123.868%0.67562%0.622SS**Hα-helixtrans-86.3-34.5171.7-83.3-69.4000112.4K699 I700 R701K699-F703 HydrophobicContact CG-CD2 4.32Å; K699-F703 HydrophobicContact CG-CE2 4.23Å; K699-F703 VanDerWaalsContact O-CD2 3.27Å; K699-F703 WeakPolarHBondContact O-CD2 3.44Å; K699-F703 PolarHBondContact O-N 3.31Å; K699-F703 VanDerWaalsContact O-N 3.07Å; I700-F703 PolarHBondContact O-N 3.39Å; I700-F703 VanDerWaalsContact O-N 3.12Å; R701-F703 VanDerWaalsContact C-N 3.34Å; R701-F703 PolarHBondContact O-N 3.01Å
704S29.5Very low28.6Very low91 Ų91124 Ų12464%0.63663%0.63SS**Hα-helixtrans-65.1-47175.9-176.40000113I700 R701 K706I700-S704 PolarHBondContact O-N 2.92Å; R701-S704 PolarHBondContact O-N 3.48Å; S704-K706 PolarHBondContact O-N 3.38Å
705L26.7Very low28.1Very low150 Ų150127.1 Ų127.179%0.78564%0.644SS**THydrogen-bonded Turntrans-69.631.9-173.8-76.9167.2000116.6R701R701-L705 PolarHBondContact O-N 2.89Å
706K24.4Very low27.3Very low168 Ų168125.4 Ų125.473%0.7365%0.649SS**THydrogen-bonded Turntrans-127.9-6.2178.7-90.7177.9179.3163.70116.2S704S704-K706 PolarHBondContact O-N 3.38Å
707N22.3Very low26.5Very low146 Ų146128.1 Ų128.178%0.78167%0.67SS**SBendtrans-115.326.6-167.1-77-8.6000115.2
708E21.5Very low25.7Very low183 Ų183130.5 Ų130.586%0.85569%0.69SS**  trans-141.8165.8174.3-117.2160.9-140.400113.8
709I19.9Very low25.1Very low166 Ų166133.7 Ų133.785%0.85171%0.712SS**  trans67.865.5-178.3-39.4179000116
710T20.8Very low24.2Very low143 Ų143135.1 Ų135.188%0.87773%0.733SS**  trans-161.6142.4139.1340000107.2
711S20.6Very low23.7Very low92 Ų92136.5 Ų136.564%0.64374%0.74SS**  cis-161133.613.153.90000112.4
712S21.5Very low23.2Very low107 Ų107138.1 Ų138.175%0.74875%0.753SS**  46.2143128.472.60000123.9
713E21.9Very low22.7Very low191 Ų191136.6 Ų136.689%0.89376%0.761SS**  trans-34.7153.7162.7-49168.7122.800117.4
714S24.9Very low22.4Very low78 Ų78132.5 Ų132.555%0.54576%0.762SS.*  trans-157.997.1168.3161.90000114.5
715H24.1Very low22Very low169 Ų169133.9 Ų133.978%0.78277%0.772SS**  trans68.1160.7145.3-50.6-43.1000117.4
716T23.8Very low21.6Very low104 Ų104138.4 Ų138.464%0.63878%0.779SS**  cis-146.9142.83248.60000116.7
717T22.5Very low21.6Very low118 Ų118136.3 Ų136.372%0.72479%0.786SS**  trans54.4110.3144.657.30000120.9
718P19.8Very low21.6Very low131 Ų131137.1 Ų137.185%0.85178%0.782SS**  trans-83141153.834.3-31000111.3
719T21.8Very low21.6Very low136 Ų136132.2 Ų132.283%0.83477%0.768SS**  trans-139.3116.3161-570000110
720S19.8Very low21.8Very low110 Ų110131 Ų13177%0.76977%0.768SS**  trans-49.6146.2-178.9-43.90000116.4
721I21.7Very low21.8Very low148 Ų148129.8 Ų129.876%0.75977%0.765SS**  -164.2147.6127.1-99.7152.7000109.1
722E21Very low22Very low162 Ų162130.7 Ų130.776%0.75777%0.771SS**  trans36.2105.8168-71.1148.9-141.800119.1
723S20.8Very low22Very low121 Ų121135.9 Ų135.985%0.84678%0.775SS**  61.56568.783.40000115.4
724G20.7Very low22Very low68 Ų68138.9 Ų138.970%0.70178%0.778SS**  trans-146124.7172.800000114.3
725S21.5Very low21.9Very low121 Ų121138.8 Ų138.885%0.84678%0.777SS**  trans50.7100.4153.6-62.10000121
726R19Very low21.8Very low244 Ų244136.7 Ų136.792%0.92178%0.781SS**  47.998.3120.5-177.5-172.1174.1169-2.3117.5
727S23.5Very low21.8Very low125 Ų125136 Ų13687%0.87478%0.781SS**  trans-158.7133.9132.4-1100000114.3
728K22.4Very low21.7Very low163 Ų163135.7 Ų135.771%0.70979%0.791SS**  trans-80.5119.3-178.6-66165.1-178.4171.70109.1
729S21.5Very low21.8Very low79 Ų79134.5 Ų134.555%0.55278%0.78SS**  53.976.5100.187.10000116.7R764S729-R764 PolarHBondContact OG-NH2 3.15Å
730V23.1Very low21.7Very low142 Ų142135.7 Ų135.786%0.86178%0.776SS**  trans-127.371.1154.8-170.50000109.4
731S21.7Very low21.7Very low117 Ų117138.9 Ų138.982%0.81878%0.777SS**  trans-102106.7153-178.70000106
732S24.8Very low21.7Very low110 Ų110138.4 Ų138.477%0.76978%0.776SS**  trans-72.7129.8179.4-169.50000109.4R734S732-R734 PolarHBondContact O-N 3.45Å
733R22Very low21.7Very low216 Ų216136.8 Ų136.882%0.81578%0.776SS**  trans-72.4111-179.8-64.5178.3-178.1178.6-3.3109.9S735R733-S735 PolarHBondContact O-N 3.29Å
734R21.3Very low21.9Very low254 Ų254136.9 Ų136.996%0.95877%0.774SS**  trans-80.360.8155.7-153.7174-165.21754.4109.4S732 S736S732-R734 PolarHBondContact O-N 3.45Å; R734-S736 PolarHBondContact O-N 3.09Å
735S23.6Very low21.9Very low77 Ų77140.3 Ų140.354%0.53877%0.772SS.*  trans-71.2115.2177.4-77.40000110.2R733 S737R733-S735 PolarHBondContact O-N 3.29Å; S735-S737 PolarHBondContact O-N 3.43Å
736S21.1Very low21.9Very low124 Ų124143.8 Ų143.887%0.86777%0.766SS**  trans-69.4115.1155.738.50000108.8R734R734-S736 PolarHBondContact O-N 3.09Å
737S23.3Very low22.1Very low89 Ų89136.6 Ų136.662%0.62275%0.754SS**  trans-14579.8173.763.20000110.8S735 V739S735-S737 PolarHBondContact O-N 3.43Å; S737-V739 PolarHBondContact O-N 2.95Å; S737-V739 VanDerWaalsContact O-N 3.13Å
738A21Very low21.9Very low113 Ų113137.5 Ų137.593%0.93475%0.749SS**  trans-69.899.2157.500000107.2
739V21.8Very low22.1Very low105 Ų105138.9 Ų138.964%0.63676%0.755SS**  trans-84.1118.6179175.60000108.6S737 F741S737-V739 PolarHBondContact O-N 2.95Å; S737-V739 VanDerWaalsContact O-N 3.13Å; V739-F741 PolarHBondContact O-N 3.19Å
740H20.1Very low22Very low161 Ų161139.9 Ų139.975%0.74576%0.762SS**  trans-64.9125.1168-163.6-65.8000108.6D742H740-D742 PolarHBondContact O-N 3.4Å
741F19.6Very low21.9Very low177 Ų177140.4 Ų140.478%0.77676%0.758SS**  trans-78.2113.4170-82-98000108.8V739V739-F741 PolarHBondContact O-N 3.19Å
742D21.7Very low22Very low139 Ų139141 Ų14174%0.74376%0.757SS**  trans-96.5137.8150.4-92.1-41.8000108.1H740 P744H740-D742 PolarHBondContact O-N 3.4Å; D742-P744 WeakPolarHBondContact O-CD 3.46Å
743V21.2Very low21.9Very low127 Ų127143.7 Ų143.777%0.7776%0.762SS**  trans-110.4101.9-174.51790000109.3
744P24.8Very low21.9Very low123 Ų123142 Ų14280%0.79976%0.763SS**  trans-74.8140.4-176.6-17.233000112.6D742D742-P744 WeakPolarHBondContact O-CD 3.46Å
745E21.1Very low22Very low140 Ų140137.3 Ų137.365%0.65476%0.757SS**  trans-75.8148.7-176-70.1-151.7118.200115.2
746R20.2Very low22.1Very low194 Ų194142.7 Ų142.773%0.73277%0.771SS**  trans50.6107.8134.8-66.3172.1174.8146.9-0.7119.8
747S23.2Very low22.5Very low94 Ų94143.8 Ų143.866%0.65777%0.767SS**  109.4137.1107.181.30000121.6
748N21.2Very low22.7Very low143 Ų143148.3 Ų148.377%0.76578%0.778SS**  trans73.4131.1140.2-67-27.4000122.1
749K25.6Very low23.2Very low193 Ų193151.1 Ų151.184%0.83977%0.769SS**  trans9087.2158.1-62.2166.9-176.4175.10119.5
750S20.1Very low24Very low100 Ų100150.5 Ų150.570%0.69977%0.77SS**  34.3147.8112.466.60000122.4
751I21.2Very low24.7Very low153 Ų153152.1 Ų152.179%0.78578%0.775SS**  trans100.488.1163.2-54.2173.5000115
752T22.5Very low25.5Very low128 Ų128150.1 Ų150.179%0.78577%0.766SS**  28101.4122.3-38.20000118.4
753L24.1Very low26.9Very low167 Ų167146.7 Ų146.787%0.87475%0.753SS**  trans-148.4166134.9-139.574000111.6
754E21.7Very low27.6Very low180 Ų180149 Ų14984%0.84175%0.748SS**  trans-65.8158.7-154.4-58.9178.8147.100118K756E754-K756 PolarHBondContact O-N 2.93Å
755N22.7Very low28.3Very low156 Ų156149 Ų14983%0.83474%0.74SS**  trans-63.3123.3173.4-65.6-81.8000113
756K25.4Very low30.2Very low191 Ų191145.6 Ų145.683%0.8373%0.729SS**  trans-170.1171.3133.3-99.5144.8-167.4172.90112.5E754 Q758E754-K756 PolarHBondContact O-N 2.93Å; K756-Q758 PolarHBondContact O-N 3.27Å
757D30.5Very low32.4Very low146 Ų146139.5 Ų139.578%0.78171%0.711SS**SBendtrans79.5-15.9166.6-57.9-9.4000122.1K759D757-K759 PolarHBondContact O-N 3.2Å
758Q27.4Very low33.8Very low184 Ų184139.7 Ų139.786%0.8670%0.704SS**THydrogen-bonded Turntrans-7312.5172.9-75.3-174.9-17.500115.7K756K756-Q758 PolarHBondContact O-N 3.27Å
759K30.5Very low35.8Very low172 Ų172135.5 Ų135.575%0.74869%0.689SS**THydrogen-bonded Turntrans-96.2-9.5-173.6-94.7-173.6173.4-176.90117D757 F762 S763D757-K759 PolarHBondContact O-N 3.2Å; K759-F762 PolarHBondContact O-N 2.84Å; K759-S763 PolarHBondContact O-N 3.17Å; K759-S763 PolarHBondContact O-OG 2.81Å; K759-S763 VanDerWaalsContact O-OG 3.14Å
760S39.4Very low37.5Very low93 Ų93131.2 Ų131.265%0.6567%0.672SS**THydrogen-bonded Turntrans-70.3-32.1-17762.80000114.5S763S760-S763 VanDerWaalsContact O-CB 3.29Å; S760-S763 WeakPolarHBondContact O-CB 3.11Å; S760-S763 PolarHBondContact O-N 2.81Å; S760-S763 PolarHBondContact O-OG 3.08Å
761K34.3Very low39.8Very low195 Ų195131.6 Ų131.685%0.84866%0.663SS**THydrogen-bonded Turntrans-75.1-29.3174.9-74.2-173.1177.3179.10112.9S763K761-S763 VanDerWaalsContact C-N 3.27Å; K761-S763 PolarHBondContact O-N 2.72Å
762F36.2Very low41Very low135 Ų135128.9 Ų128.959%0.59265%0.649SS**Hα-helixtrans-66.4-29.3170.2-92.3-80.5000112.5K759 R764 L765 T766K759-F762 PolarHBondContact O-N 2.84Å; F762-R764 PolarHBondContact O-N 3.03Å; F762-L765 PolarHBondContact O-N 2.65Å; F762-T766 PolarHBondContact O-N 2.71Å; F762-T766 PolarHBondContact O-OG1 3.11Å
763S51.5Low42.8Very low66 Ų66128 Ų12846%0.46264%0.637SS.*Hα-helixtrans-53.9-27.1-178.2-53.20000114.6K759 S760 K761 L767K759-S763 PolarHBondContact O-N 3.17Å; K759-S763 PolarHBondContact O-OG 2.81Å; K759-S763 VanDerWaalsContact O-OG 3.14Å; S760-S763 VanDerWaalsContact O-CB 3.29Å; S760-S763 WeakPolarHBondContact O-CB 3.11Å; S760-S763 PolarHBondContact O-N 2.81Å; S760-S763 PolarHBondContact O-OG 3.08Å; K761-S763 VanDerWaalsContact C-N 3.27Å; K761-S763 PolarHBondContact O-N 2.72Å; S763-L767 VanDerWaalsContact O-CB 3.31Å; S763-L767 WeakPolarHBondContact O-CB 3.16Å; S763-L767 PolarHBondContact O-N 2.72Å
764R36.5Very low44.8Very low176 Ų176124.1 Ų124.166%0.66461%0.614SS**Hα-helixtrans-79.9-34.5178.5-161.6169.6-174.2139.63.5113.3S729 F762 L768S729-R764 PolarHBondContact OG-NH2 3.15Å; F762-R764 PolarHBondContact O-N 3.03Å; R764-L768 PolarHBondContact O-N 2.71Å; R764-L768 VanDerWaalsContact O-N 3.1Å
765L39.9Very low46.4Very low123 Ų123120 Ų12064%0.64460%0.596SS**Hα-helixtrans-71.8-37.7168.7-85.3167.1000111F762 L767 L768 A769F762-L765 PolarHBondContact O-N 2.65Å; L765-L767 VanDerWaalsContact C-N 3.34Å; L765-L768 PolarHBondContact O-N 3.43Å; L765-A769 VanDerWaalsContact O-CB 3.24Å; L765-A769 WeakPolarHBondContact O-CB 3.48Å; L765-A769 PolarHBondContact O-N 2.71Å
766T60.6Low47.3Very low69 Ų69118.2 Ų118.242%0.42359%0.586SS.*Hα-helixtrans-61.9-40.5171-52.80000111.5F762 A769 Q770F762-T766 PolarHBondContact O-N 2.71Å; F762-T766 PolarHBondContact O-OG1 3.11Å; T766-A769 PolarHBondContact O-N 3.05Å; T766-Q770 HydrophobicContact CG2-CG 4.43Å; T766-Q770 VanDerWaalsContact O-CB 3.3Å; T766-Q770 WeakPolarHBondContact O-CB 3.42Å; T766-Q770 VanDerWaalsContact O-CG 3.23Å; T766-Q770 WeakPolarHBondContact O-CG 3.08Å; T766-Q770 PolarHBondContact O-N 2.87Å
767L66Low48.8Very low65 Ų65113.5 Ų113.534%0.3457%0.566SS.*Hα-helixtrans-65.3-44.2177.2-158.896.5000111.8S763 L765 Q770 E771S763-L767 VanDerWaalsContact O-CB 3.31Å; S763-L767 WeakPolarHBondContact O-CB 3.16Å; S763-L767 PolarHBondContact O-N 2.72Å; L765-L767 VanDerWaalsContact C-N 3.34Å; L767-Q770 CarbonylContact O-C 3.55Å; L767-Q770 WeakPolarHBondContact O-CA 3.36Å; L767-Q770 WeakPolarHBondContact O-CB 3.19Å; L767-Q770 PolarHBondContact O-N 3.25Å; L767-Q770 VanDerWaalsContact O-N 3.15Å; L767-E771 WeakPolarHBondContact O-CG 3.13Å; L767-E771 PolarHBondContact O-N 3.13Å
768L51.9Low49.8Very low98 Ų98112.5 Ų112.551%0.51356%0.556SS.*Hα-helixtrans-68.8-36.8178.7-165153.3000111.4R764 L765 Q770 E771 L772R764-L768 PolarHBondContact O-N 2.71Å; R764-L768 VanDerWaalsContact O-N 3.1Å; L765-L768 PolarHBondContact O-N 3.43Å; L768-Q770 VanDerWaalsContact C-N 3.32Å; L768-E771 PolarHBondContact O-N 3.05Å; L768-L772 HydrophobicContact CD2-CD1 3.77Å; L768-L772 HydrophobicContact CD2-CG 4.2Å; L768-L772 WeakPolarHBondContact O-CB 3.13Å; L768-L772 WeakPolarHBondContact O-CG 3.07Å; L768-L772 PolarHBondContact O-N 3.09Å
769A64.4Low50.3Low55 Ų55108.2 Ų108.246%0.45554%0.539SS..Hα-helixtrans-65.9-33.5170.100000112.4L765 T766 Q773L765-A769 VanDerWaalsContact O-CB 3.24Å; L765-A769 WeakPolarHBondContact O-CB 3.48Å; L765-A769 PolarHBondContact O-N 2.71Å; T766-A769 PolarHBondContact O-N 3.05Å; A769-Q773 WeakPolarHBondContact O-CB 3.38Å; A769-Q773 PolarHBondContact O-N 2.88Å
770Q61.1Low50.9Low103 Ų103105.1 Ų105.148%0.48153%0.527SS..Hα-helixtrans-71.3-39.9172.3-79.2175.5-45.500111.9T766 L767 L768 Q773 E774T766-Q770 HydrophobicContact CG2-CG 4.43Å; T766-Q770 VanDerWaalsContact O-CB 3.3Å; T766-Q770 WeakPolarHBondContact O-CB 3.42Å; T766-Q770 VanDerWaalsContact O-CG 3.23Å; T766-Q770 WeakPolarHBondContact O-CG 3.08Å; T766-Q770 PolarHBondContact O-N 2.87Å; L767-Q770 CarbonylContact O-C 3.55Å; L767-Q770 WeakPolarHBondContact O-CA 3.36Å; L767-Q770 WeakPolarHBondContact O-CB 3.19Å; L767-Q770 PolarHBondContact O-N 3.25Å; L767-Q770 VanDerWaalsContact O-N 3.15Å; L768-Q770 VanDerWaalsContact C-N 3.32Å; Q770-Q773 CarbonylContact O-C 3.55Å; Q770-Q773 PolarHBondContact O-N 3.15Å; Q770-E774 VanDerWaalsContact O-CB 3.3Å; Q770-E774 WeakPolarHBondContact O-CB 3.49Å; Q770-E774 PolarHBondContact O-N 3.23Å
771E68.6Low51Low108 Ų108104.6 Ų104.651%0.50552%0.519SS..Hα-helixtrans-63.9-44.3173.9-75.2170159.100110.6L767 L768 E774 I775L767-E771 WeakPolarHBondContact O-CG 3.13Å; L767-E771 PolarHBondContact O-N 3.13Å; L768-E771 PolarHBondContact O-N 3.05Å; E771-E774 PolarHBondContact O-N 2.88Å; E771-I775 WeakPolarHBondContact O-CB 3.35Å; E771-I775 VanDerWaalsContact O-CG1 3.25Å; E771-I775 WeakPolarHBondContact O-CG1 3.3Å; E771-I775 PolarHBondContact O-N 2.68Å
772L45.9Very low51Low96 Ų9699.5 Ų99.550%0.50351%0.505SS..Hα-helixtrans-63.1-39.8171.2-73.2175.2000112.6L768 E774 L776L768-L772 HydrophobicContact CD2-CD1 3.77Å; L768-L772 HydrophobicContact CD2-CG 4.2Å; L768-L772 WeakPolarHBondContact O-CB 3.13Å; L768-L772 WeakPolarHBondContact O-CG 3.07Å; L768-L772 PolarHBondContact O-N 3.09Å; L772-E774 VanDerWaalsContact C-N 3.33Å; L772-L776 VanDerWaalsContact O-CB 3.3Å; L772-L776 WeakPolarHBondContact O-CB 3.43Å; L772-L776 WeakPolarHBondContact O-CG 3.42Å; L772-L776 PolarHBondContact O-N 2.67Å
773Q61.1Low50.8Low111 Ų11197.8 Ų97.852%0.51950%0.502SS..Hα-helixtrans-66.6-34.1175.4-173.6177.221.500111.8A769 Q770 K777A769-Q773 WeakPolarHBondContact O-CB 3.38Å; A769-Q773 PolarHBondContact O-N 2.88Å; Q770-Q773 CarbonylContact O-C 3.55Å; Q770-Q773 PolarHBondContact O-N 3.15Å; Q773-K777 WeakPolarHBondContact O-CB 3.36Å; Q773-K777 VanDerWaalsContact O-CG 3.25Å; Q773-K777 WeakPolarHBondContact O-CG 3.45Å; Q773-K777 PolarHBondContact O-N 2.84Å
774E64.7Low50.1Low85 Ų8599.6 Ų99.640%0.39750%0.503SS..Hα-helixtrans-80.7-31.4179.4-149.264.752.700111.9Q770 E771 L772 K777 Q778Q770-E774 VanDerWaalsContact O-CB 3.3Å; Q770-E774 WeakPolarHBondContact O-CB 3.49Å; Q770-E774 PolarHBondContact O-N 3.23Å; E771-E774 PolarHBondContact O-N 2.88Å; L772-E774 VanDerWaalsContact C-N 3.33Å; E774-K777 VanDerWaalsContact CD-CD 3.45Å; E774-K777 VanDerWaalsContact CD-NZ 3.33Å; E774-K777 PolarHBondContact O-N 3.09Å; E774-K777 WeakPolarHBondContact OE1-CD 3.43Å; E774-K777 IonicContact OE1-NZ 3.16Å; E774-K777 PolarHBondContact OE1-NZ 2.74Å; E774-K777 WeakPolarHBondContact OE2-CD 3.35Å; E774-K777 IonicContact OE2-NZ 3.46Å; E774-K777 PolarHBondContact OE2-NZ 2.68Å; E774-Q778 WeakPolarHBondContact O-CB 3.14Å; E774-Q778 VanDerWaalsContact O-CG 3.3Å; E774-Q778 WeakPolarHBondContact O-CG 3.31Å; E774-Q778 PolarHBondContact O-N 3.06Å
775I56.4Low49.7Very low93 Ų9397.5 Ų97.548%0.47750%0.504SS..Hα-helixtrans-64.2-45.9165.6-68.8162.8000110E771 K777 Q778 L779E771-I775 WeakPolarHBondContact O-CB 3.35Å; E771-I775 VanDerWaalsContact O-CG1 3.25Å; E771-I775 WeakPolarHBondContact O-CG1 3.3Å; E771-I775 PolarHBondContact O-N 2.68Å; I775-K777 VanDerWaalsContact C-N 3.33Å; I775-K777 PolarHBondContact O-N 3.38Å; I775-Q778 PolarHBondContact O-N 2.76Å; I775-L779 HydrophobicContact CG2-CD1 4.27Å; I775-L779 WeakPolarHBondContact O-CG 3.12Å; I775-L779 PolarHBondContact O-N 3.19Å
776L42.1Very low49Very low119 Ų11999 Ų9962%0.62351%0.51SS*.Hα-helixtrans-63.2-36.4174.7-83.3163.5000112.5L772 H780L772-L776 VanDerWaalsContact O-CB 3.3Å; L772-L776 WeakPolarHBondContact O-CB 3.43Å; L772-L776 WeakPolarHBondContact O-CG 3.42Å; L772-L776 PolarHBondContact O-N 2.67Å; L776-H780 VanDerWaalsContact O-CB 3.31Å; L776-H780 WeakPolarHBondContact O-CB 3.46Å; L776-H780 PolarHBondContact O-N 3.12Å
777K56.3Low47.6Very low92 Ų92101 Ų10140%0.452%0.521SS..Hα-helixtrans-69.3-39.5171.5-78.1169.1174.2-178.20112.3Q773 E774 I775 H780 V781Q773-K777 WeakPolarHBondContact O-CB 3.36Å; Q773-K777 VanDerWaalsContact O-CG 3.25Å; Q773-K777 WeakPolarHBondContact O-CG 3.45Å; Q773-K777 PolarHBondContact O-N 2.84Å; E774-K777 VanDerWaalsContact CD-CD 3.45Å; E774-K777 VanDerWaalsContact CD-NZ 3.33Å; E774-K777 PolarHBondContact O-N 3.09Å; E774-K777 WeakPolarHBondContact OE1-CD 3.43Å; E774-K777 IonicContact OE1-NZ 3.16Å; E774-K777 PolarHBondContact OE1-NZ 2.74Å; E774-K777 WeakPolarHBondContact OE2-CD 3.35Å; E774-K777 IonicContact OE2-NZ 3.46Å; E774-K777 PolarHBondContact OE2-NZ 2.68Å; I775-K777 VanDerWaalsContact C-N 3.33Å; I775-K777 PolarHBondContact O-N 3.38Å; K777-H780 CarbonylContact O-C 3.5Å; K777-H780 WeakPolarHBondContact O-CA 3.24Å; K777-H780 WeakPolarHBondContact O-CB 3.31Å; K777-H780 PolarHBondContact O-N 3.03Å; K777-V781 WeakPolarHBondContact O-CG2 3.23Å; K777-V781 PolarHBondContact O-N 3.33Å
778Q50.6Low45.7Very low124 Ų124102.7 Ų102.758%0.57954%0.538SS*.Hα-helixtrans-62.5-46.3175.5-78.3175.926.300110.2E774 I775 H780 V781 T782E774-Q778 WeakPolarHBondContact O-CB 3.14Å; E774-Q778 VanDerWaalsContact O-CG 3.3Å; E774-Q778 WeakPolarHBondContact O-CG 3.31Å; E774-Q778 PolarHBondContact O-N 3.06Å; I775-Q778 PolarHBondContact O-N 2.76Å; Q778-H780 PolarHBondContact O-N 3Å; Q778-V781 PolarHBondContact O-N 3.31Å; Q778-V781 VanDerWaalsContact O-N 3.07Å; Q778-T782 PolarHBondContact O-N 3.31Å; Q778-T782 PolarHBondContact O-OG1 3.47Å; Q778-T782 VanDerWaalsContact O-OG1 3.13Å
779L38.1Very low44.5Very low95 Ų95104.1 Ų104.150%0.49755%0.546SS..Hα-helixtrans-57.9-35.3169.5-69.7170.3000112.1I775 N783I775-L779 HydrophobicContact CG2-CD1 4.27Å; I775-L779 WeakPolarHBondContact O-CG 3.12Å; I775-L779 PolarHBondContact O-N 3.19Å; L779-N783 VanDerWaalsContact O-CB 3.27Å; L779-N783 WeakPolarHBondContact O-CB 3.39Å; L779-N783 VanDerWaalsContact O-CG 3.26Å; L779-N783 PolarHBondContact O-N 2.77Å; L779-N783 PolarHBondContact O-ND2 3.4Å
780H43.9Very low42.7Very low107 Ų107107.7 Ų107.750%0.49556%0.557SS.*Hα-helixtrans-73.4-31.2174.7-164.261.5000113.3L776 K777 Q778 N783 Q784L776-H780 VanDerWaalsContact O-CB 3.31Å; L776-H780 WeakPolarHBondContact O-CB 3.46Å; L776-H780 PolarHBondContact O-N 3.12Å; K777-H780 CarbonylContact O-C 3.5Å; K777-H780 WeakPolarHBondContact O-CA 3.24Å; K777-H780 WeakPolarHBondContact O-CB 3.31Å; K777-H780 PolarHBondContact O-N 3.03Å; Q778-H780 PolarHBondContact O-N 3Å; H780-N783 CarbonylContact O-C 3.49Å; H780-Q784 PolarHBondContact CD2-NE2 2.91Å; H780-Q784 PolarHBondContact NE2-NE2 2.97Å; H780-Q784 WeakPolarHBondContact O-CB 3.41Å; H780-Q784 VanDerWaalsContact O-CG 3.31Å; H780-Q784 WeakPolarHBondContact O-CG 3.11Å; H780-Q784 PolarHBondContact O-N 3.25Å
781V41.9Very low41.3Very low81 Ų81112.7 Ų112.749%0.49158%0.577SS.*Hα-helixtrans-72.9-46175.1167.80000110.3K777 Q778 N783 Q784 I785K777-V781 WeakPolarHBondContact O-CG2 3.23Å; K777-V781 PolarHBondContact O-N 3.33Å; Q778-V781 PolarHBondContact O-N 3.31Å; Q778-V781 VanDerWaalsContact O-N 3.07Å; V781-N783 VanDerWaalsContact C-N 3.25Å; V781-N783 PolarHBondContact O-N 3.07Å; V781-Q784 PolarHBondContact O-N 3.44Å; V781-I785 HydrophobicContact CG1-CD1 4.19Å; V781-I785 WeakPolarHBondContact O-CG1 3.43Å; V781-I785 PolarHBondContact O-N 3.12Å
782T33.2Very low39.2Very low89 Ų89115.8 Ų115.855%0.54659%0.592SS.*Hα-helixtrans-57-41.5171.6-53.40000111Q778 I785 M786Q778-T782 PolarHBondContact O-N 3.31Å; Q778-T782 PolarHBondContact O-OG1 3.47Å; Q778-T782 VanDerWaalsContact O-OG1 3.13Å; T782-I785 PolarHBondContact O-N 3.07Å; T782-M786 PolarHBondContact O-N 3.31Å
783N32.9Very low38.4Very low99 Ų99117.6 Ų117.653%0.52960%0.602SS.*Hα-helixtrans-77.3-11.6174.5-71.9-46.7000114.7L779 H780 V781 V787L779-N783 VanDerWaalsContact O-CB 3.27Å; L779-N783 WeakPolarHBondContact O-CB 3.39Å; L779-N783 VanDerWaalsContact O-CG 3.26Å; L779-N783 PolarHBondContact O-N 2.77Å; L779-N783 PolarHBondContact O-ND2 3.4Å; H780-N783 CarbonylContact O-C 3.49Å; V781-N783 VanDerWaalsContact C-N 3.25Å; V781-N783 PolarHBondContact O-N 3.07Å; N783-V787 WeakPolarHBondContact O-CG2 3.39Å
784Q35.5Very low36.9Very low103 Ų103120.4 Ų120.448%0.48162%0.621SS.*Hα-helixtrans-87.1-31.8169.3-84.7-17515.400111.9H780 V781 M786 V787H780-Q784 PolarHBondContact CD2-NE2 2.91Å; H780-Q784 PolarHBondContact NE2-NE2 2.97Å; H780-Q784 WeakPolarHBondContact O-CB 3.41Å; H780-Q784 VanDerWaalsContact O-CG 3.31Å; H780-Q784 WeakPolarHBondContact O-CG 3.11Å; H780-Q784 PolarHBondContact O-N 3.25Å; V781-Q784 PolarHBondContact O-N 3.44Å; Q784-M786 PolarHBondContact O-N 2.97Å; Q784-V787 CarbonylContact O-C 3.55Å; Q784-V787 VanDerWaalsContact O-C 3.32Å; Q784-V787 WeakPolarHBondContact O-CA 3.29Å; Q784-V787 PolarHBondContact O-N 3.02Å
785I29Very low35Very low132 Ų132124.7 Ų124.768%0.67764%0.638SS**Hα-helixtrans-60.6-33.9171.6-68164.7000110.2V781 T782 V787V781-I785 HydrophobicContact CG1-CD1 4.19Å; V781-I785 WeakPolarHBondContact O-CG1 3.43Å; V781-I785 PolarHBondContact O-N 3.12Å; T782-I785 PolarHBondContact O-N 3.07Å; I785-V787 PolarHBondContact O-N 2.9Å
786M25Very low33.7Very low156 Ų156127.5 Ų127.577%0.76865%0.654SS**THydrogen-bonded Turntrans-71.7-0.1170-75.6-68.3-65.500115.3T782 Q784T782-M786 PolarHBondContact O-N 3.31Å; Q784-M786 PolarHBondContact O-N 2.97Å
787V30.7Very low33Very low109 Ų109127.1 Ų127.166%0.66166%0.662SS**THydrogen-bonded Turntrans-138.847.5-176.2-166.60000110.4N783 Q784 I785N783-V787 WeakPolarHBondContact O-CG2 3.39Å; Q784-V787 CarbonylContact O-C 3.55Å; Q784-V787 VanDerWaalsContact O-C 3.32Å; Q784-V787 WeakPolarHBondContact O-CA 3.29Å; Q784-V787 PolarHBondContact O-N 3.02Å; I785-V787 PolarHBondContact O-N 2.9Å
788S26.7Very low31.4Very low101 Ų101127.3 Ų127.371%0.70667%0.674SS**  trans-137.325.1173-70.70000114.4
789L26.9Very low30.2Very low128 Ų128128.6 Ų128.667%0.6768%0.68SS**  trans-115.4132.3144.2-110.465.2000104.4
790D26.9Very low29.7Very low131 Ų131132.5 Ų132.570%0.70170%0.696SS**  cis-134.2148.110.3-35.4-66.2000111.4
791K30.3Very low28.9Very low207 Ų207132.1 Ų132.190%0.970%0.703SS**  trans-178.389148.2-103.5148.2-166.81560112.8
792E26Very low28.2Very low173 Ų173138.1 Ų138.181%0.80872%0.722SS**  trans-71.8170.4155.7-64.6-153.7127.400111.8
793N28.1Very low28Very low134 Ų134142.5 Ų142.572%0.71774%0.737SS**  trans62.775.3166.5-66.3-58.6000117.2
794N29.9Very low27.7Very low170 Ų170144 Ų14491%0.90975%0.75SS**  -151.1140.1111-112.2-55.6000113.4
795K25.4Very low27.3Very low176 Ų176149.6 Ų149.677%0.76577%0.768SS**  trans-89137.3174.6-62.4172.1-178.5174.60108.8
796N29.1Very low27.5Very low151 Ų151152.6 Ų152.681%0.80778%0.776SS**  164.7141.3129.1-81.2-23.7000114.1
797S26.1Very low27.9Very low112 Ų112150.2 Ų150.278%0.78377%0.77SS**  trans50.6117.8147.6620000122.6
798S24.3Very low28.6Very low96 Ų96146.9 Ų146.967%0.67175%0.751SS**  trans54.5128.5134.4-90.10000123.4
799E25.4Very low29.3Very low150 Ų150149.5 Ų149.570%0.70176%0.757SS**  5396.4128.7-59.7164.4113.500119.4
800H27.7Very low30.4Very low178 Ų178150.4 Ų150.482%0.82476%0.758SS**  172.7158.398.1-88.2-58.8000112.3
801P26.8Very low31.5Very low98 Ų98148.6 Ų148.664%0.63675%0.748SS**  trans-96.9163.2-176.138.4-35.9000114.6
802F26Very low31.8Very low207 Ų207145.1 Ų145.191%0.90873%0.733SS**  trans65.972.9169.5-58.6-73.9000117.6
803E29.1Very low32.9Very low182 Ų182138.2 Ų138.285%0.8571%0.708SS**  trans-109.9133.3145.5-164.2158.7-129.300110.2Y805E803-Y805 PolarHBondContact O-N 2.8Å
804T27.1Very low34.1Very low130 Ų130135.4 Ų135.480%0.79870%0.696SS**  trans-80.4107.1-171.2-60.80000110.2K806T804-K806 VanDerWaalsContact C-N 3.32Å; T804-K806 PolarHBondContact O-N 3.1Å
805Y27.8Very low34.9Very low220 Ų220132.7 Ų132.786%0.86368%0.681SS**  trans-6190.3174.5-79.2-81.3000111.9E803 V807E803-Y805 PolarHBondContact O-N 2.8Å; Y805-V807 VanDerWaalsContact C-N 3.34Å; Y805-V807 PolarHBondContact O-N 3.4Å
806K32Very low35.7Very low196 Ų196128.1 Ų128.185%0.85267%0.665SS**  trans-77.284178.9-169.7179.7-174.9-179.50109.1T804 S808T804-K806 VanDerWaalsContact C-N 3.32Å; T804-K806 PolarHBondContact O-N 3.1Å; K806-S808 PolarHBondContact O-N 3.46Å
807V33.2Very low36.7Very low105 Ų105125.5 Ų125.564%0.63665%0.651SS**  trans-47.8116.2175.2-178.70000108.9Y805 N811Y805-V807 VanDerWaalsContact C-N 3.34Å; Y805-V807 PolarHBondContact O-N 3.4Å; V807-N811 HydrophobicContact CG1-CB 4.22Å
808S46.4Very low37.9Very low39 Ų39127.3 Ų127.327%0.27364%0.644SS.*  trans-66.1145.5179.160.50000109.6K806 E810 N811 F812K806-S808 PolarHBondContact O-N 3.46Å; S808-E810 PolarHBondContact O-N 3.06Å; S808-E810 VanDerWaalsContact O-N 3.13Å; S808-N811 PolarHBondContact O-N 2.79Å; S808-N811 PolarHBondContact OG-N 3.41Å; S808-N811 PolarHBondContact OG-OD1 2.78Å; S808-N811 VanDerWaalsContact OG-OD1 3.12Å; S808-F812 PolarHBondContact O-N 2.83Å
809L41.6Very low38.8Very low156 Ų156125.8 Ų125.882%0.81764%0.638SS**Hα-helixtrans-58.6-26.1173.3-167.868.4000111.1F812 G813L809-F812 PolarHBondContact O-N 3.07Å; L809-G813 PolarHBondContact O-N 2.9Å
810E50.1Low39.7Very low148 Ų148126.3 Ų126.369%0.69264%0.638SS**Hα-helixtrans-66.3-35.9174.4-62.9157.6146.300112.6S808 T814S808-E810 PolarHBondContact O-N 3.06Å; S808-E810 VanDerWaalsContact O-N 3.13Å; E810-T814 WeakPolarHBondContact O-CB 3.46Å; E810-T814 WeakPolarHBondContact O-CG2 3.32Å; E810-T814 PolarHBondContact O-N 3.44Å; E810-T814 PolarHBondContact O-OG1 2.89Å
811N49.9Very low40.4Very low93 Ų93123.5 Ų123.550%0.49763%0.629SS.*Hα-helixtrans-71.2-39.1175.7-75.211.2000111.6V807 S808 T814 L815V807-N811 HydrophobicContact CG1-CB 4.22Å; S808-N811 PolarHBondContact O-N 2.79Å; S808-N811 PolarHBondContact OG-N 3.41Å; S808-N811 PolarHBondContact OG-OD1 2.78Å; S808-N811 VanDerWaalsContact OG-OD1 3.12Å; N811-T814 WeakPolarHBondContact CA-OG1 3.48Å; N811-T814 PolarHBondContact O-OG1 3.42Å; N811-T814 VanDerWaalsContact O-OG1 3.13Å; N811-L815 PolarHBondContact O-N 2.76Å
812F36.5Very low41.2Very low133 Ų133122.4 Ų122.458%0.58362%0.617SS**Hα-helixtrans-70.7-39.8173.5-159.6-98.3000111.4S808 L809 T814 L815 L816S808-F812 PolarHBondContact O-N 2.83Å; L809-F812 PolarHBondContact O-N 3.07Å; F812-T814 PolarHBondContact O-N 3.13Å; F812-L815 PolarHBondContact O-N 3.44Å; F812-L816 HydrophobicContact CD1-CD1 4.48Å; F812-L816 HydrophobicContact CE1-CD1 4.06Å; F812-L816 WeakPolarHBondContact O-CB 3.33Å; F812-L816 PolarHBondContact O-N 2.79Å
813G48.1Very low42.3Very low28 Ų28116.3 Ų116.329%0.28959%0.594SS.*Hα-helixtrans-63.2-37.3174.400000113.2L809 N817L809-G813 PolarHBondContact O-N 2.9Å; G813-N817 WeakPolarHBondContact O-CB 3.41Å; G813-N817 PolarHBondContact O-N 2.92Å; G813-N817 PolarHBondContact O-ND2 3.13Å
814T53.2Low43.3Very low75 Ų75111.3 Ų111.346%0.4657%0.572SS.*Hα-helixtrans-75.2-30.9174.147.40000112.9E810 N811 F812 K818E810-T814 WeakPolarHBondContact O-CB 3.46Å; E810-T814 WeakPolarHBondContact O-CG2 3.32Å; E810-T814 PolarHBondContact O-N 3.44Å; E810-T814 PolarHBondContact O-OG1 2.89Å; N811-T814 WeakPolarHBondContact CA-OG1 3.48Å; N811-T814 PolarHBondContact O-OG1 3.42Å; N811-T814 VanDerWaalsContact O-OG1 3.13Å; F812-T814 PolarHBondContact O-N 3.13Å; T814-K818 VanDerWaalsContact O-CB 3.28Å; T814-K818 WeakPolarHBondContact O-CB 3.34Å; T814-K818 VanDerWaalsContact O-CG 3.24Å; T814-K818 WeakPolarHBondContact O-CG 3.43Å; T814-K818 PolarHBondContact O-N 3.07Å
815L46.7Very low44.6Very low114 Ų114108.8 Ų108.860%0.59755%0.554SS**Hα-helixtrans-66-46.4168.3-90.6165000112.1N811 F812 N817 K818 A819N811-L815 PolarHBondContact O-N 2.76Å; F812-L815 PolarHBondContact O-N 3.44Å; L815-N817 VanDerWaalsContact C-N 3.34Å; L815-N817 PolarHBondContact O-N 2.79Å; L815-K818 WeakPolarHBondContact O-CB 3.07Å; L815-K818 PolarHBondContact O-N 3.2Å; L815-K818 VanDerWaalsContact O-N 3.12Å; L815-A819 PolarHBondContact O-N 3.15Å
816L43.4Very low45.9Very low80 Ų80104 Ų10442%0.41954%0.543SS..Hα-helixtrans-67.4-35.9178.5-138.6169000111.3F812 A819 K820F812-L816 HydrophobicContact CD1-CD1 4.48Å; F812-L816 HydrophobicContact CE1-CD1 4.06Å; F812-L816 WeakPolarHBondContact O-CB 3.33Å; F812-L816 PolarHBondContact O-N 2.79Å; L816-A819 PolarHBondContact O-N 2.78Å; L816-K820 HydrophobicContact CD2-CD 3.91Å; L816-K820 HydrophobicContact CD2-CG 4.08Å; L816-K820 WeakPolarHBondContact O-CB 3.3Å; L816-K820 WeakPolarHBondContact O-CG 3.45Å; L816-K820 PolarHBondContact O-N 3.01Å
817N50.2Low46.5Very low96 Ų96104 Ų10451%0.51354%0.538SS..Hα-helixtrans-72.7-26170.6-71.9-10.5000113G813 L815 N821G813-N817 WeakPolarHBondContact O-CB 3.41Å; G813-N817 PolarHBondContact O-N 2.92Å; G813-N817 PolarHBondContact O-ND2 3.13Å; L815-N817 VanDerWaalsContact C-N 3.34Å; L815-N817 PolarHBondContact O-N 2.79Å; N817-N821 WeakPolarHBondContact O-CA 3.42Å; N817-N821 WeakPolarHBondContact O-CB 3.23Å; N817-N821 PolarHBondContact O-N 2.87Å
818K50.8Low47.3Very low149 Ų149101 Ų10165%0.64852%0.522SS*.Hα-helixtrans-73.3-33169.2-83.5178.2173.8-167.70112.2T814 L815 N821 I822T814-K818 VanDerWaalsContact O-CB 3.28Å; T814-K818 WeakPolarHBondContact O-CB 3.34Å; T814-K818 VanDerWaalsContact O-CG 3.24Å; T814-K818 WeakPolarHBondContact O-CG 3.43Å; T814-K818 PolarHBondContact O-N 3.07Å; L815-K818 WeakPolarHBondContact O-CB 3.07Å; L815-K818 PolarHBondContact O-N 3.2Å; L815-K818 VanDerWaalsContact O-N 3.12Å; K818-N821 CarbonylContact O-C 3.55Å; K818-N821 VanDerWaalsContact O-C 3.27Å; K818-I822 WeakPolarHBondContact O-CG1 3.31Å; K818-I822 PolarHBondContact O-N 3.45Å
819A42.1Very low47.7Very low65 Ų65104.9 Ų104.954%0.53754%0.543SS..Hα-helixtrans-74.9-33.5174.200000112.5L815 L816 I822L815-A819 PolarHBondContact O-N 3.15Å; L816-A819 PolarHBondContact O-N 2.78Å; A819-I822 WeakPolarHBondContact O-CG1 3.25Å
820K44.3Very low48.6Very low161 Ų161104 Ų10470%0.754%0.535SS*.Hα-helixtrans-85.2-31.1175.1-73.2-170.6172-1660114.1L816 I822L816-K820 HydrophobicContact CD2-CD 3.91Å; L816-K820 HydrophobicContact CD2-CG 4.08Å; L816-K820 WeakPolarHBondContact O-CB 3.3Å; L816-K820 WeakPolarHBondContact O-CG 3.45Å; L816-K820 PolarHBondContact O-N 3.01Å; K820-I822 VanDerWaalsContact C-N 3.35Å
821N42.3Very low49.3Very low119 Ų119104 Ų10464%0.63654%0.535SS*.THydrogen-bonded Turntrans-102.749.7166.2-52.9-6.5000109.3N817 K818 N823N817-N821 WeakPolarHBondContact O-CA 3.42Å; N817-N821 WeakPolarHBondContact O-CB 3.23Å; N817-N821 PolarHBondContact O-N 2.87Å; K818-N821 CarbonylContact O-C 3.55Å; K818-N821 VanDerWaalsContact O-C 3.27Å; N821-N823 PolarHBondContact O-N 3.34Å; N821-N823 VanDerWaalsContact O-N 3.14Å
822I44.3Very low50.3Low75 Ų75109.5 Ų109.539%0.38555%0.554SS.*  trans-61113.6149.6-70.9175.1000104.1K818 A819 K820 L824 W827K818-I822 WeakPolarHBondContact O-CG1 3.31Å; K818-I822 PolarHBondContact O-N 3.45Å; A819-I822 WeakPolarHBondContact O-CG1 3.25Å; K820-I822 VanDerWaalsContact C-N 3.35Å; I822-L824 HydrophobicContact CG2-CD2 3.75Å; I822-L824 HydrophobicContact CG2-CG 4.12Å; I822-L824 PolarHBondContact O-N 3.28Å; I822-W827 HydrophobicContact CD1-CZ3 4.27Å; I822-W827 HydrophobicContact CG2-CE3 3.69Å; I822-W827 HydrophobicContact CG2-CH2 4.01Å; I822-W827 HydrophobicContact CG2-CZ3 3.33Å
823N48.8Very low51.9Low79 Ų79105.8 Ų105.842%0.42254%0.541SS..  trans-73.980.7177.5-178.342.8000108.1N821 N825 D826N821-N823 PolarHBondContact O-N 3.34Å; N821-N823 VanDerWaalsContact O-N 3.14Å; N823-N825 PolarHBondContact O-N 3.41Å; N823-N825 PolarHBondContact OD1-ND2 3.5Å; N823-D826 PolarHBondContact ND2-OD1 3.32Å; N823-D826 VanDerWaalsContact ND2-OD1 3.09Å; N823-D826 PolarHBondContact ND2-OD2 3.22Å; N823-D826 PolarHBondContact O-N 2.8Å
824L49.9Very low53.1Low76 Ų76111 Ų11140%0.39856%0.557SS.*G310 helixtrans-56.3-17.9-176.1-72.1173.1000113.2I822 D826 W827 S828 F864I822-L824 HydrophobicContact CG2-CD2 3.75Å; I822-L824 HydrophobicContact CG2-CG 4.12Å; I822-L824 PolarHBondContact O-N 3.28Å; L824-D826 PolarHBondContact O-N 3.48Å; L824-W827 HydrophobicContact CD2-CE3 4.18Å; L824-W827 CarbonylContact O-C 3.56Å; L824-W827 VanDerWaalsContact O-C 3.29Å; L824-W827 WeakPolarHBondContact O-CA 3.37Å; L824-W827 PolarHBondContact O-N 2.91Å; L824-S828 VanDerWaalsContact O-CB 3.25Å; L824-S828 WeakPolarHBondContact O-CB 3.49Å; L824-S828 PolarHBondContact O-N 3.04Å; L824-S828 PolarHBondContact O-OG 2.66Å; L824-F864 HydrophobicContact CB-CZ 4.36Å
825N55.2Low54Low78 Ų78110.3 Ų110.342%0.41755%0.554SS.*G310 helixtrans-51.3-34168.9-64-5.3000113.1N823 W827 S828 R857N823-N825 PolarHBondContact O-N 3.41Å; N823-N825 PolarHBondContact OD1-ND2 3.5Å; N825-W827 VanDerWaalsContact C-N 3.26Å; N825-W827 PolarHBondContact O-N 3.06Å; N825-S828 WeakPolarHBondContact CA-OG 3.38Å; N825-S828 PolarHBondContact O-OG 3.31Å; N825-R857 PolarHBondContact OD1-NH2 3.28Å
826D54.4Low54.9Low120 Ų120106.7 Ų106.764%0.64254%0.536SS*.G310 helixtrans-79.8-8.8179.7-53.6-34.6000112.4N823 L824N823-D826 PolarHBondContact ND2-OD1 3.32Å; N823-D826 VanDerWaalsContact ND2-OD1 3.09Å; N823-D826 PolarHBondContact ND2-OD2 3.22Å; N823-D826 PolarHBondContact O-N 2.8Å; L824-D826 PolarHBondContact O-N 3.48Å
827W45.8Very low56.4Low196 Ų196105.9 Ų105.974%0.74253%0.534SS*.G310 helixtrans-125.114.8177.3-60.3-25.9000112.8I822 L824 N825I822-W827 HydrophobicContact CD1-CZ3 4.27Å; I822-W827 HydrophobicContact CG2-CE3 3.69Å; I822-W827 HydrophobicContact CG2-CH2 4.01Å; I822-W827 HydrophobicContact CG2-CZ3 3.33Å; L824-W827 HydrophobicContact CD2-CE3 4.18Å; L824-W827 CarbonylContact O-C 3.56Å; L824-W827 VanDerWaalsContact O-C 3.29Å; L824-W827 WeakPolarHBondContact O-CA 3.37Å; L824-W827 PolarHBondContact O-N 2.91Å; N825-W827 VanDerWaalsContact C-N 3.26Å; N825-W827 PolarHBondContact O-N 3.06Å
828S49.7Very low57.5Low41 Ų41104.5 Ų104.529%0.28753%0.526SS..  trans-116.8113.9-17866.80000111.8L824 N825 E830L824-S828 VanDerWaalsContact O-CB 3.25Å; L824-S828 WeakPolarHBondContact O-CB 3.49Å; L824-S828 PolarHBondContact O-N 3.04Å; L824-S828 PolarHBondContact O-OG 2.66Å; N825-S828 WeakPolarHBondContact CA-OG 3.38Å; N825-S828 PolarHBondContact O-OG 3.31Å; S828-E830 PolarHBondContact O-N 2.87Å
829V54.6Low58.4Low120 Ų120100 Ų10073%0.72751%0.509SS*.  trans-80.3107.7165.3-179.70000108.2E831V829-E831 PolarHBondContact O-N 3.27Å
830E60.6Low59.3Low139 Ų139102.5 Ų102.565%0.6551%0.509SS*.  trans-78.778.9177.1-69.1-169170.600111.1S828 R857S828-E830 PolarHBondContact O-N 2.87Å; E830-R857 IonicContact OE1-CZ 3.56Å; E830-R857 IonicContact OE1-NH1 3.59Å; E830-R857 PolarHBondContact OE1-NH1 3.39Å; E830-R857 VanDerWaalsContact OE1-NH1 3.16Å; E830-R857 IonicContact OE1-NH2 3.07Å; E830-R857 PolarHBondContact OE1-NH2 2.68Å
831E65.3Low60.5Low147 Ų147100.9 Ų100.969%0.68750%0.499SS*.  trans-80.5131.2172-173.9173.5-151.200111.9V829 L833V829-E831 PolarHBondContact O-N 3.27Å; E831-L833 HydrophobicContact CG-CD2 3.88Å; E831-L833 HydrophobicContact CG-CG 4.24Å; E831-L833 PolarHBondContact O-N 3.07Å
832K70.8Confident61.8Low208 Ų20896.8 Ų96.890%0.90448%0.477SS*.  trans-91.285.7176.3-73.1-172.5176.4-178.50111.5
833L68.8Low62.5Low56 Ų5697.1 Ų97.129%0.29348%0.476SS..  trans-77.8142.8168.1-57-178.5000110.7E831 V837 L838 R841E831-L833 HydrophobicContact CG-CD2 3.88Å; E831-L833 HydrophobicContact CG-CG 4.24Å; E831-L833 PolarHBondContact O-N 3.07Å; L833-V837 HydrophobicContact CB-CB 4.44Å; L833-V837 HydrophobicContact CD2-CG1 4.01Å; L833-L838 HydrophobicContact CB-CB 3.98Å; L833-L838 HydrophobicContact CD1-CB 4.29Å; L833-L838 HydrophobicContact CD1-CD1 4.12Å; L833-R841 HydrophobicContact CD1-CB 4.24Å; L833-R841 HydrophobicContact CD1-CG 4.41Å
834E73.9Confident63.1Low136 Ų13696.4 Ų96.464%0.63648%0.478SS*.  trans-66.3153.8163.2-64.6-162.2147.700110.1N836 V837 L838E834-N836 VanDerWaalsContact C-N 3.33Å; E834-N836 PolarHBondContact O-N 3.18Å; E834-V837 HydrophobicContact CB-CG2 4.23Å; E834-V837 PolarHBondContact O-N 3.41Å; E834-L838 PolarHBondContact O-N 2.76Å
835P72Confident63.9Low61 Ų6194.2 Ų94.240%0.39647%0.466SS..Hα-helixtrans-50.8-49.4-176.2-29.436.3000113.3V837 L838 L839P835-V837 VanDerWaalsContact C-N 3.29Å; P835-V837 PolarHBondContact O-N 3.07Å; P835-L838 WeakPolarHBondContact O-CB 3.35Å; P835-L838 PolarHBondContact O-N 3.25Å; P835-L839 WeakPolarHBondContact O-CB 3.28Å; P835-L839 VanDerWaalsContact O-CD1 3.24Å; P835-L839 WeakPolarHBondContact O-CD1 3.43Å; P835-L839 WeakPolarHBondContact O-CG 3.34Å; P835-L839 PolarHBondContact O-N 2.88Å
836N66.8Low64.3Low39 Ų3993.3 Ų93.321%0.20946%0.461CS..Hα-helixtrans-58.6-40.1179-57.953.7000112.1S448 E834 L839 Q840S448-N836 WeakPolarHBondContact CB-ND2 3.48Å; S448-N836 PolarHBondContact OG-ND2 3.11Å; S448-N836 PolarHBondContact OG-OD1 2.9Å; E834-N836 VanDerWaalsContact C-N 3.33Å; E834-N836 PolarHBondContact O-N 3.18Å; N836-L839 PolarHBondContact O-N 3.44Å; N836-Q840 WeakPolarHBondContact O-CB 3.35Å; N836-Q840 VanDerWaalsContact O-CG 3.28Å; N836-Q840 WeakPolarHBondContact O-CG 3.42Å; N836-Q840 PolarHBondContact O-N 3.37Å
837V73.8Confident64.5Low62 Ų6290.9 Ų90.938%0.37644%0.443SS..Hα-helixtrans-73.2-39.5179-175.30000111.1L833 E834 P835 L839 R841L833-V837 HydrophobicContact CB-CB 4.44Å; L833-V837 HydrophobicContact CD2-CG1 4.01Å; E834-V837 HydrophobicContact CB-CG2 4.23Å; E834-V837 PolarHBondContact O-N 3.41Å; P835-V837 VanDerWaalsContact C-N 3.29Å; P835-V837 PolarHBondContact O-N 3.07Å; V837-L839 VanDerWaalsContact C-N 3.3Å; V837-L839 PolarHBondContact O-N 2.77Å; V837-R841 VanDerWaalsContact O-CB 3.24Å; V837-R841 WeakPolarHBondContact O-CB 3.46Å; V837-R841 PolarHBondContact O-N 2.96Å
838L74Confident65.1Low67 Ų6786.7 Ų86.735%0.35143%0.432SS..Hα-helixtrans-58.7-44.6171.6174.862.7000110.8L833 E834 P835 R841 L842L833-L838 HydrophobicContact CB-CB 3.98Å; L833-L838 HydrophobicContact CD1-CB 4.29Å; L833-L838 HydrophobicContact CD1-CD1 4.12Å; E834-L838 PolarHBondContact O-N 2.76Å; P835-L838 WeakPolarHBondContact O-CB 3.35Å; P835-L838 PolarHBondContact O-N 3.25Å; L838-R841 PolarHBondContact O-N 3.35Å; L838-L842 HydrophobicContact CD1-CD1 4.07Å; L838-L842 HydrophobicContact CD1-CG 4.12Å; L838-L842 HydrophobicContact CG-CD1 4Å; L838-L842 HydrophobicContact CG-CG 4.43Å; L838-L842 WeakPolarHBondContact O-CB 3.25Å; L838-L842 VanDerWaalsContact O-CG 3.26Å; L838-L842 WeakPolarHBondContact O-CG 3.41Å; L838-L842 PolarHBondContact O-N 2.81Å
839L68.5Low65.8Low55 Ų5589.1 Ų89.129%0.28844%0.438SS..Hα-helixtrans-71-41.7-177.6-67.6159.7000112L444 P835 N836 V837 R841 L842 H843L444-L839 HydrophobicContact CB-CD1 4.22Å; L444-L839 HydrophobicContact CD1-CB 4.06Å; L444-L839 HydrophobicContact CD1-CD1 3.89Å; L444-L839 HydrophobicContact CD1-CD2 3.76Å; L444-L839 HydrophobicContact CD1-CG 4.1Å; L444-L839 HydrophobicContact CD2-CD1 3.4Å; L444-L839 HydrophobicContact CD2-CD2 3.9Å; L444-L839 HydrophobicContact CD2-CG 4.24Å; L444-L839 HydrophobicContact CG-CD1 3.98Å; L444-L839 HydrophobicContact CG-CD2 4.43Å; P835-L839 WeakPolarHBondContact O-CB 3.28Å; P835-L839 VanDerWaalsContact O-CD1 3.24Å; P835-L839 WeakPolarHBondContact O-CD1 3.43Å; P835-L839 WeakPolarHBondContact O-CG 3.34Å; P835-L839 PolarHBondContact O-N 2.88Å; N836-L839 PolarHBondContact O-N 3.44Å; V837-L839 VanDerWaalsContact C-N 3.3Å; V837-L839 PolarHBondContact O-N 2.77Å; L839-R841 VanDerWaalsContact C-N 3.33Å; L839-R841 PolarHBondContact O-N 2.67Å; L839-L842 PolarHBondContact O-N 2.94Å; L839-H843 WeakPolarHBondContact O-CB 3.49Å; L839-H843 PolarHBondContact O-N 3.32Å
840Q62.6Low66Low117 Ų11785 Ų8555%0.54741%0.413SS..Hα-helixtrans-58.7-44.9168.7-75.1172.7200111.1N836 H843 S844N836-Q840 WeakPolarHBondContact O-CB 3.35Å; N836-Q840 VanDerWaalsContact O-CG 3.28Å; N836-Q840 WeakPolarHBondContact O-CG 3.42Å; N836-Q840 PolarHBondContact O-N 3.37Å; Q840-H843 PolarHBondContact O-N 2.87Å; Q840-S844 PolarHBondContact O-N 3.49Å; Q840-S844 PolarHBondContact O-OG 3.43Å
841R68.5Low66Low128 Ų12881.1 Ų81.148%0.48339%0.393SS..Hα-helixtrans-67.1-38.6179.6-172.256.8174.8141-0.3112.5L833 V837 L838 L839 S844 L845L833-R841 HydrophobicContact CD1-CB 4.24Å; L833-R841 HydrophobicContact CD1-CG 4.41Å; V837-R841 VanDerWaalsContact O-CB 3.24Å; V837-R841 WeakPolarHBondContact O-CB 3.46Å; V837-R841 PolarHBondContact O-N 2.96Å; L838-R841 PolarHBondContact O-N 3.35Å; L839-R841 VanDerWaalsContact C-N 3.33Å; L839-R841 PolarHBondContact O-N 2.67Å; R841-S844 PolarHBondContact O-N 2.94Å; R841-L845 HydrophobicContact CG-CD1 4.13Å; R841-L845 WeakPolarHBondContact O-CB 3.38Å; R841-L845 VanDerWaalsContact O-CG 3.23Å; R841-L845 WeakPolarHBondContact O-CG 3.47Å; R841-L845 PolarHBondContact O-N 2.96Å
842L68.9Low66Low33 Ų3378.5 Ų78.517%0.17338%0.383CS..Hα-helixtrans-65.5-40172.5-75.2174.2000111.7L838 L839 L845 N846 L852 I865L838-L842 HydrophobicContact CD1-CD1 4.07Å; L838-L842 HydrophobicContact CD1-CG 4.12Å; L838-L842 HydrophobicContact CG-CD1 4Å; L838-L842 HydrophobicContact CG-CG 4.43Å; L838-L842 WeakPolarHBondContact O-CB 3.25Å; L838-L842 VanDerWaalsContact O-CG 3.26Å; L838-L842 WeakPolarHBondContact O-CG 3.41Å; L838-L842 PolarHBondContact O-N 2.81Å; L839-L842 PolarHBondContact O-N 2.94Å; L842-L845 PolarHBondContact O-N 3.46Å; L842-N846 PolarHBondContact O-N 3.03Å; L842-L852 HydrophobicContact CD2-CD1 3.97Å; L842-I865 HydrophobicContact CD2-CG2 4.09Å
843H60.4Low65.6Low82 Ų8271.6 Ų71.638%0.3836%0.356SS..Hα-helixtrans-62.8-45.1173.4179.5-115.6000111.4L839 Q840 L845 N846 Y847L839-H843 WeakPolarHBondContact O-CB 3.49Å; L839-H843 PolarHBondContact O-N 3.32Å; Q840-H843 PolarHBondContact O-N 2.87Å; H843-L845 PolarHBondContact O-N 3.26Å; H843-N846 VanDerWaalsContact O-CB 3.28Å; H843-N846 WeakPolarHBondContact O-CB 3.4Å; H843-N846 PolarHBondContact O-N 3.48Å; H843-Y847 AromaticContact CE1-CE2 3.83Å; H843-Y847 PolarHBondContact CE1-OH 3.33Å; H843-Y847 AromaticContact NE2-CE2 3.72Å; H843-Y847 AromaticContact NE2-CZ 3.83Å; H843-Y847 PolarHBondContact NE2-OH 2.87Å; H843-Y847 WeakPolarHBondContact O-CD2 3.37Å; H843-Y847 WeakPolarHBondContact O-CE2 3.49Å
844S60.8Low65.7Low64 Ų6472.9 Ų72.945%0.44837%0.366SS..Hα-helixtrans-61.6-41.4172.2-56.10000112.7Q840 R841 N846 Y847Q840-S844 PolarHBondContact O-N 3.49Å; Q840-S844 PolarHBondContact O-OG 3.43Å; R841-S844 PolarHBondContact O-N 2.94Å; S844-N846 VanDerWaalsContact C-N 3.3Å; S844-N846 PolarHBondContact O-N 3.43Å; S844-Y847 PolarHBondContact O-N 3.25Å
845L66.8Low65.2Low29 Ų2972.5 Ų72.515%0.15236%0.36CS..Hα-helixtrans-67-28.2178.5-78.1166.7000112.8R841 L842 H843 Y847 E848 K849R841-L845 HydrophobicContact CG-CD1 4.13Å; R841-L845 WeakPolarHBondContact O-CB 3.38Å; R841-L845 VanDerWaalsContact O-CG 3.23Å; R841-L845 WeakPolarHBondContact O-CG 3.47Å; R841-L845 PolarHBondContact O-N 2.96Å; L842-L845 PolarHBondContact O-N 3.46Å; H843-L845 PolarHBondContact O-N 3.26Å; L845-Y847 PolarHBondContact O-N 3.04Å; L845-Y847 VanDerWaalsContact O-N 3.16Å; L845-E848 PolarHBondContact O-N 3.42Å; L845-K849 CarbonylContact O-C 3.58Å; L845-K849 WeakPolarHBondContact O-CA 3.25Å; L845-K849 PolarHBondContact O-N 2.89Å
846N64.4Low64.9Low59 Ų5975.4 Ų75.432%0.31637%0.366SS..Hα-helixtrans-56.5-29.5177-167.525000112.5L842 H843 S844 P850L842-N846 PolarHBondContact O-N 3.03Å; H843-N846 VanDerWaalsContact O-CB 3.28Å; H843-N846 WeakPolarHBondContact O-CB 3.4Å; H843-N846 PolarHBondContact O-N 3.48Å; S844-N846 VanDerWaalsContact C-N 3.3Å; S844-N846 PolarHBondContact O-N 3.43Å; N846-P850 VanDerWaalsContact O-CA 3.28Å; N846-P850 WeakPolarHBondContact O-CA 3.46Å; N846-P850 WeakPolarHBondContact O-CB 3.48Å; N846-P850 WeakPolarHBondContact OD1-CA 3.48Å
847Y57.7Low64.8Low69 Ų6975.5 Ų75.527%0.27136%0.364SS..THydrogen-bonded Turntrans-75-28.5177.5-62.5-86.5000113.3H843 S844 L845 I1127 V1132H843-Y847 AromaticContact CE1-CE2 3.83Å; H843-Y847 PolarHBondContact CE1-OH 3.33Å; H843-Y847 AromaticContact NE2-CE2 3.72Å; H843-Y847 AromaticContact NE2-CZ 3.83Å; H843-Y847 PolarHBondContact NE2-OH 2.87Å; H843-Y847 WeakPolarHBondContact O-CD2 3.37Å; H843-Y847 WeakPolarHBondContact O-CE2 3.49Å; S844-Y847 PolarHBondContact O-N 3.25Å; L845-Y847 PolarHBondContact O-N 3.04Å; L845-Y847 VanDerWaalsContact O-N 3.16Å; Y847-I1127 HydrophobicContact CD1-CD1 3.83Å; Y847-I1127 HydrophobicContact CD1-CG1 4.17Å; Y847-V1132 HydrophobicContact CD1-CG2 3.89Å; Y847-V1132 HydrophobicContact CE1-CG1 4.23Å; Y847-V1132 HydrophobicContact CE1-CG2 3.98Å
848E58.5Low64.3Low108 Ų10879.5 Ų79.551%0.50538%0.382SS..THydrogen-bonded Turntrans-95.3-32.6176.6-62.9-169.9121.300113.6L845L845-E848 PolarHBondContact O-N 3.42Å
849K64.3Low64Low92 Ų9286.3 Ų86.340%0.441%0.405SS..  trans-142.473.4-168-64.9-175.8-176.5178.90109.1L845 Y851 S867 H868L845-K849 CarbonylContact O-C 3.58Å; L845-K849 WeakPolarHBondContact O-CA 3.25Å; L845-K849 PolarHBondContact O-N 2.89Å; K849-Y851 PolarHBondContact O-N 3.27Å; K849-Y851 VanDerWaalsContact O-N 3.12Å; K849-S867 WeakPolarHBondContact CD-O 3.46Å; K849-H868 CarbonylContact C-O 3.57Å
850P58.7Low64Low33 Ų3387.6 Ų87.621%0.21441%0.412CS..  trans-73.1-0.7-169.326.7-32.6000115.2N846N846-P850 VanDerWaalsContact O-CA 3.28Å; N846-P850 WeakPolarHBondContact O-CA 3.46Å; N846-P850 WeakPolarHBondContact O-CB 3.48Å; N846-P850 WeakPolarHBondContact OD1-CA 3.48Å
851Y61Low64.1Low59 Ų5987 Ų8723%0.23141%0.413CS..EExtended strand (participates in β ladder)trans-108.1131.8178.1-67.8-100.2000110.3K849 S867 H868 P870 F871 Y880K849-Y851 PolarHBondContact O-N 3.27Å; K849-Y851 VanDerWaalsContact O-N 3.12Å; Y851-S867 WeakPolarHBondContact O-CA 3.42Å; Y851-H868 PolarHBondContact N-O 3.2Å; Y851-H868 PolarHBondContact O-N 3.25Å; Y851-P870 HydrophobicContact CD1-CG 3.68Å; Y851-P870 HydrophobicContact CD2-CG 3.33Å; Y851-P870 HydrophobicContact CE1-CG 4.12Å; Y851-P870 HydrophobicContact CE2-CG 3.78Å; Y851-P870 HydrophobicContact CG-CG 3.25Å; Y851-F871 HydrophobicContact CE2-CE2 4.28Å; Y851-Y880 VanDerWaalsContact OH-CD1 3.24Å; Y851-Y880 WeakPolarHBondContact OH-CD1 3.38Å; Y851-Y880 VanDerWaalsContact OH-CE1 3.29Å; Y851-Y880 WeakPolarHBondContact OH-CE1 3.48Å
852L64.3Low64.3Low91 Ų9183 Ų8348%0.47640%0.404SS..EExtended strand (participates in β ladder)trans-124.788.4-171.9-162.678.2000109.6L842 I865 S867L842-L852 HydrophobicContact CD2-CD1 3.97Å; L852-I865 HydrophobicContact CD1-CG2 3.4Å; L852-I865 VanDerWaalsContact CD1-CG2 3.4Å; L852-I865 HydrophobicContact CD2-CG2 4.14Å; L852-I865 HydrophobicContact CG-CG2 3.8Å; L852-S867 VanDerWaalsContact CD1-OG 3.22Å; L852-S867 WeakPolarHBondContact CD1-OG 3.39Å
853D63.7Low64.4Low64 Ų6486.9 Ų86.934%0.34242%0.424SS..EExtended strand (participates in β ladder)trans-77.3139.8172.6-96.20.5000109.9Y855 V866 H868D853-Y855 HydrophobicContact CB-CD2 4.18Å; D853-Y855 HydrophobicContact CB-CE2 3.47Å; D853-Y855 VanDerWaalsContact CB-CE2 3.47Å; D853-Y855 PolarHBondContact OD2-OH 2.94Å; D853-V866 HydrophobicContact CB-CB 4.22Å; D853-V866 PolarHBondContact N-O 2.91Å; D853-V866 PolarHBondContact O-N 3.45Å; D853-H868 IonicContact OD1-NE2 3.73Å; D853-H868 IonicContact OD2-NE2 2.68Å
854V71Confident64.8Low83 Ų8385.5 Ų85.550%0.50342%0.417SS..EExtended strand (participates in β ladder)trans-124.3111-179.4-176.20000110.3L863 F864V854-L863 HydrophobicContact CG1-CB 4.21Å; V854-L863 HydrophobicContact CG1-CD2 3.81Å; V854-L863 HydrophobicContact CG1-CG 4.4Å; V854-F864 WeakPolarHBondContact CA-O 3.27Å
855Y62.4Low65.1Low128 Ų12886.2 Ų86.250%0.50242%0.415SS..EExtended strand (participates in β ladder)trans-112.2127.4-177-64.4-81.7000110.9D853 R857 F864 V866D853-Y855 HydrophobicContact CB-CD2 4.18Å; D853-Y855 HydrophobicContact CB-CE2 3.47Å; D853-Y855 VanDerWaalsContact CB-CE2 3.47Å; D853-Y855 PolarHBondContact OD2-OH 2.94Å; Y855-R857 PolarHBondContact O-N 3.05Å; Y855-F864 PolarHBondContact N-O 3.15Å; Y855-F864 PolarHBondContact O-N 3.45Å; Y855-V866 HydrophobicContact CD2-CG2 3.91Å; Y855-V866 HydrophobicContact CE2-CG2 4.21Å
856K67Low65.1Low121 Ų12187.3 Ų87.353%0.52642%0.423SS..EExtended strand (participates in β ladder)trans-76.3123.9175-169.2175.3180-175.40111.3D861K856-D861 WeakPolarHBondContact CE-O 3.39Å; K856-D861 WeakPolarHBondContact CE-OD1 3.43Å; K856-D861 IonicContact NZ-OD1 3.61Å; K856-D861 PolarHBondContact NZ-OD1 3.35Å; K856-D861 IonicContact NZ-OD2 2.76Å; K856-D861 PolarHBondContact NZ-OD2 2.84Å
857R64.7Low64.9Low41 Ų4185.6 Ų85.616%0.15542%0.416CS..  trans-72.1129174.7-164.6170.7-167.7-163.826.5108.7N825 E830 Y855 Y859 D860 S862 F864N825-R857 PolarHBondContact OD1-NH2 3.28Å; E830-R857 IonicContact OE1-CZ 3.56Å; E830-R857 IonicContact OE1-NH1 3.59Å; E830-R857 PolarHBondContact OE1-NH1 3.39Å; E830-R857 VanDerWaalsContact OE1-NH1 3.16Å; E830-R857 IonicContact OE1-NH2 3.07Å; E830-R857 PolarHBondContact OE1-NH2 2.68Å; Y855-R857 PolarHBondContact O-N 3.05Å; R857-Y859 VanDerWaalsContact C-N 3.3Å; R857-Y859 PolarHBondContact O-N 2.89Å; R857-D860 WeakPolarHBondContact CB-OD1 3.21Å; R857-D860 WeakPolarHBondContact CD-OD1 3.5Å; R857-D860 WeakPolarHBondContact CD-OD2 3.42Å; R857-D860 WeakPolarHBondContact CG-OD1 3.37Å; R857-D860 IonicContact CZ-OD2 3.16Å; R857-D860 IonicContact NE-OD2 2.69Å; R857-D860 IonicContact NH1-OD2 2.78Å; R857-D860 PolarHBondContact NH1-OD2 3.07Å; R857-S862 WeakPolarHBondContact CB-O 3.33Å; R857-S862 WeakPolarHBondContact CB-OG 3.48Å; R857-S862 WeakPolarHBondContact CD-OG 3.42Å; R857-S862 PolarHBondContact N-O 2.93Å; R857-F864 HydrophobicContact CB-CD2 4.02Å; R857-F864 HydrophobicContact CB-CE2 3.97Å; R857-F864 HydrophobicContact CG-CD2 4.18Å; R857-F864 HydrophobicContact CG-CE2 3.6Å; R857-F864 HydrophobicContact CG-CZ 4.18Å
858L63.4Low65.1Low147 Ų14784.7 Ų84.777%0.7741%0.414SS*.THydrogen-bonded Turntrans-79.2-2.7-164.8-67.5174.5000115.5
859Y66.7Low65Low209 Ų20981.7 Ų81.782%0.8240%0.4SS*.THydrogen-bonded Turntrans-121.2-27.1-166.7-54.7-61000114.7R857R857-Y859 VanDerWaalsContact C-N 3.3Å; R857-Y859 PolarHBondContact O-N 2.89Å
860D69.2Low64.4Low83 Ų8379.9 Ų79.944%0.44440%0.398SS..THydrogen-bonded Turntrans-1276.7-176.760.47.5000112.6R857 S862R857-D860 WeakPolarHBondContact CB-OD1 3.21Å; R857-D860 WeakPolarHBondContact CD-OD1 3.5Å; R857-D860 WeakPolarHBondContact CD-OD2 3.42Å; R857-D860 WeakPolarHBondContact CG-OD1 3.37Å; R857-D860 IonicContact CZ-OD2 3.16Å; R857-D860 IonicContact NE-OD2 2.69Å; R857-D860 IonicContact NH1-OD2 2.78Å; R857-D860 PolarHBondContact NH1-OD2 3.07Å; D860-S862 PolarHBondContact O-N 2.92Å; D860-S862 VanDerWaalsContact O-N 3.08Å; D860-S862 VanDerWaalsContact OD1-CB 3.32Å; D860-S862 WeakPolarHBondContact OD1-CB 3.39Å; D860-S862 PolarHBondContact OD1-N 2.84Å; D860-S862 PolarHBondContact OD1-OG 2.87Å; D860-S862 PolarHBondContact OD2-OG 2.83Å
861D64.5Low64Low105 Ų10581.2 Ų81.256%0.56140%0.4SS*.  trans58.98.4-175.6-95.813.3000116.1K856K856-D861 WeakPolarHBondContact CE-O 3.39Å; K856-D861 WeakPolarHBondContact CE-OD1 3.43Å; K856-D861 IonicContact NZ-OD1 3.61Å; K856-D861 PolarHBondContact NZ-OD1 3.35Å; K856-D861 IonicContact NZ-OD2 2.76Å; K856-D861 PolarHBondContact NZ-OD2 2.84Å
862S72.4Confident63.7Low42 Ų4283.3 Ų83.329%0.29442%0.415SS..  trans-71.2168.7176.971.40000113.1R857 D860R857-S862 WeakPolarHBondContact CB-O 3.33Å; R857-S862 WeakPolarHBondContact CB-OG 3.48Å; R857-S862 WeakPolarHBondContact CD-OG 3.42Å; R857-S862 PolarHBondContact N-O 2.93Å; D860-S862 PolarHBondContact O-N 2.92Å; D860-S862 VanDerWaalsContact O-N 3.08Å; D860-S862 VanDerWaalsContact OD1-CB 3.32Å; D860-S862 WeakPolarHBondContact OD1-CB 3.39Å; D860-S862 PolarHBondContact OD1-N 2.84Å; D860-S862 PolarHBondContact OD1-OG 2.87Å; D860-S862 PolarHBondContact OD2-OG 2.83Å
863L71.5Confident63.1Low115 Ų11584.7 Ų84.760%0.60241%0.414SS*.EExtended strand (participates in β ladder)trans-116.1116.3-177.7-68.975.7000109.4V854 I865V854-L863 HydrophobicContact CG1-CB 4.21Å; V854-L863 HydrophobicContact CG1-CD2 3.81Å; V854-L863 HydrophobicContact CG1-CG 4.4Å; L863-I865 PolarHBondContact O-N 2.79Å
864F68Low62.8Low53 Ų5386.1 Ų86.123%0.23243%0.425CS..EExtended strand (participates in β ladder)trans-72119.5163.5-77.7-65.1000108.8L824 V854 Y855 R857L824-F864 HydrophobicContact CB-CZ 4.36Å; V854-F864 WeakPolarHBondContact CA-O 3.27Å; Y855-F864 PolarHBondContact N-O 3.15Å; Y855-F864 PolarHBondContact O-N 3.45Å; R857-F864 HydrophobicContact CB-CD2 4.02Å; R857-F864 HydrophobicContact CB-CE2 3.97Å; R857-F864 HydrophobicContact CG-CD2 4.18Å; R857-F864 HydrophobicContact CG-CE2 3.6Å; R857-F864 HydrophobicContact CG-CZ 4.18Å
865I66.8Low62.3Low79 Ų7986 Ų8641%0.40542%0.421SS..EExtended strand (participates in β ladder)trans-100.5112.5171.8-60.6177.4000107.2L842 L852 L863L842-I865 HydrophobicContact CD2-CG2 4.09Å; L852-I865 HydrophobicContact CD1-CG2 3.4Å; L852-I865 VanDerWaalsContact CD1-CG2 3.4Å; L852-I865 HydrophobicContact CD2-CG2 4.14Å; L852-I865 HydrophobicContact CG-CG2 3.8Å; L863-I865 PolarHBondContact O-N 2.79Å
866V66.7Low62.6Low52 Ų5283.1 Ų83.132%0.31541%0.409SS..EExtended strand (participates in β ladder)trans-105.893.8-178-177.40000108.1D853 Y855 H868D853-V866 HydrophobicContact CB-CB 4.22Å; D853-V866 PolarHBondContact N-O 2.91Å; D853-V866 PolarHBondContact O-N 3.45Å; Y855-V866 HydrophobicContact CD2-CG2 3.91Å; Y855-V866 HydrophobicContact CE2-CG2 4.21Å; V866-H868 HydrophobicContact CG1-CB 4.31Å; V866-H868 PolarHBondContact O-CD2 3.46Å; V866-H868 PolarHBondContact O-N 3.39Å
867S61.2Low62.8Low23 Ų2379.9 Ų79.916%0.16140%0.402CS..EExtended strand (participates in β ladder)trans-71.8118.3163.6-53.10000108.8K849 Y851 L852K849-S867 WeakPolarHBondContact CD-O 3.46Å; Y851-S867 WeakPolarHBondContact O-CA 3.42Å; L852-S867 VanDerWaalsContact CD1-OG 3.22Å; L852-S867 WeakPolarHBondContact CD1-OG 3.39Å
868H61.9Low62.8Low50 Ų5079 Ų7923%0.23140%0.4CS..EExtended strand (participates in β ladder)trans-139.7168.1178.370103.4000112.7K849 Y851 D853 V866K849-H868 CarbonylContact C-O 3.57Å; Y851-H868 PolarHBondContact N-O 3.2Å; Y851-H868 PolarHBondContact O-N 3.25Å; D853-H868 IonicContact OD1-NE2 3.73Å; D853-H868 IonicContact OD2-NE2 2.68Å; V866-H868 HydrophobicContact CG1-CB 4.31Å; V866-H868 PolarHBondContact O-CD2 3.46Å; V866-H868 PolarHBondContact O-N 3.39Å
869H56.3Low63.2Low46 Ų4676.8 Ų76.821%0.21339%0.385CS..  trans-106.5112.1164.5-157.6-86.9000106.4F871 F1101H869-F871 PolarHBondContact ND1-O 2.72Å; H869-F871 PolarHBondContact O-N 3.48Å; H869-F1101 AromaticContact CE1-CE1 3.61Å; H869-F1101 AromaticContact CE1-CE2 3.75Å; H869-F1101 AromaticContact CE1-CZ 3.22Å; H869-F1101 WeakPolarHBondContact CE1-CZ 3.26Å; H869-F1101 AromaticContact NE2-CE1 3.24Å; H869-F1101 WeakPolarHBondContact NE2-CE1 3.49Å; H869-F1101 AromaticContact NE2-CZ 3.14Å; H869-F1101 WeakPolarHBondContact NE2-CZ 3.31Å
870P50.3Low63Low54 Ų5471 Ų7135%0.35136%0.363SS..SBendtrans-69.8-15.6-173-10.621.3000113.5Y851Y851-P870 HydrophobicContact CD1-CG 3.68Å; Y851-P870 HydrophobicContact CD2-CG 3.33Å; Y851-P870 HydrophobicContact CE1-CG 4.12Å; Y851-P870 HydrophobicContact CE2-CG 3.78Å; Y851-P870 HydrophobicContact CG-CG 3.25Å
871F51.7Low62.6Low60 Ų6072 Ų7226%0.26337%0.372SS..SBendtrans-112.4124.3-174.8-53.5-74.2000108.7Y851 H869 I875 N878Y851-F871 HydrophobicContact CE2-CE2 4.28Å; H869-F871 PolarHBondContact ND1-O 2.72Å; H869-F871 PolarHBondContact O-N 3.48Å; F871-I875 HydrophobicContact CB-CD1 4.3Å; F871-I875 HydrophobicContact CD1-CD1 4.27Å; F871-N878 HydrophobicContact CD2-CB 4.05Å; F871-N878 WeakPolarHBondContact CD2-ND2 3.26Å; F871-N878 WeakPolarHBondContact CE1-ND2 3.43Å; F871-N878 HydrophobicContact CE2-CB 4.36Å; F871-N878 WeakPolarHBondContact CE2-ND2 3.41Å; F871-N878 HydrophobicContact CG-CB 4.43Å; F871-N878 WeakPolarHBondContact CZ-ND2 3.16Å
872D53.8Low62.4Low103 Ų10371.1 Ų71.155%0.55136%0.361SS*.  trans-56140168.6174.510.2000109.6T874 I875D872-T874 PolarHBondContact O-N 3.46Å; D872-T874 PolarHBondContact OD1-N 2.94Å; D872-T874 VanDerWaalsContact OD1-N 3.14Å; D872-T874 WeakPolarHBondContact OD2-CB 3.48Å; D872-T874 WeakPolarHBondContact OD2-CG2 3.39Å; D872-T874 PolarHBondContact OD2-OG1 3.26Å; D872-I875 WeakPolarHBondContact O-CB 3.47Å; D872-I875 PolarHBondContact O-N 3.17Å
873R52.8Low61.3Low120 Ų12072 Ų7245%0.45337%0.366SS..THydrogen-bonded Turntrans-65.3-4.2177.4-70.8-171176.5-160.1-1.4113R876R873-R876 PolarHBondContact O-NH1 3.38Å; R873-R876 VanDerWaalsContact O-NH1 3.13Å
874T57.3Low60.5Low94 Ų9468.7 Ų68.758%0.57735%0.353SS*.THydrogen-bonded Turntrans-61.7-29.8161.259.80000112.7D872D872-T874 PolarHBondContact O-N 3.46Å; D872-T874 PolarHBondContact OD1-N 2.94Å; D872-T874 VanDerWaalsContact OD1-N 3.14Å; D872-T874 WeakPolarHBondContact OD2-CB 3.48Å; D872-T874 WeakPolarHBondContact OD2-CG2 3.39Å; D872-T874 PolarHBondContact OD2-OG1 3.26Å
875I60.3Low59.8Low81 Ų8169.7 Ų69.742%0.41536%0.355SS..SBendtrans-84.4115.4174.2-50177.1000108.5F871 D872 S877 F1101F871-I875 HydrophobicContact CB-CD1 4.3Å; F871-I875 HydrophobicContact CD1-CD1 4.27Å; D872-I875 WeakPolarHBondContact O-CB 3.47Å; D872-I875 PolarHBondContact O-N 3.17Å; I875-S877 WeakPolarHBondContact CG2-O 3.42Å; I875-F1101 WeakPolarHBondContact O-CD2 3.5Å
876R67.9Low59.1Low68 Ų6868.2 Ų68.226%0.25735%0.346SS..  trans-83.9-10-168.7-61.8-65171.1-164.5-7.8115.9R873 F1101 T1103 L1700R873-R876 PolarHBondContact O-NH1 3.38Å; R873-R876 VanDerWaalsContact O-NH1 3.13Å; R876-F1101 WeakPolarHBondContact CD-O 3.43Å; R876-F1101 PolarHBondContact NH1-O 3.43Å; R876-F1101 PolarHBondContact O-N 2.94Å; R876-T1103 VanDerWaalsContact CZ-CG2 3.5Å; R876-L1700 HydrophobicContact CB-CD2 3.88Å; R876-L1700 HydrophobicContact CG-CD2 3.77Å
877S70.9Confident58.4Low53 Ų5366.3 Ų66.337%0.37133%0.334SS..EExtended strand (participates in β ladder)trans-151.6144.817355.10000110.7I875 H1099I875-S877 WeakPolarHBondContact CG2-O 3.42Å; S877-H1099 CarbonylContact C-O 3.38Å; S877-H1099 VanDerWaalsContact CA-O 3.23Å; S877-H1099 WeakPolarHBondContact CA-O 3.37Å
878N65.5Low58.2Low21 Ų2165.7 Ų65.711%0.11233%0.329CS..EExtended strand (participates in β ladder)trans-120.6142.8165.5-178.6-93.2000109.3F871 T1098 H1099 F1101F871-N878 HydrophobicContact CD2-CB 4.05Å; F871-N878 WeakPolarHBondContact CD2-ND2 3.26Å; F871-N878 WeakPolarHBondContact CE1-ND2 3.43Å; F871-N878 HydrophobicContact CE2-CB 4.36Å; F871-N878 WeakPolarHBondContact CE2-ND2 3.41Å; F871-N878 HydrophobicContact CG-CB 4.43Å; F871-N878 WeakPolarHBondContact CZ-ND2 3.16Å; N878-T1098 CarbonylContact O-C 3.58Å; N878-T1098 WeakPolarHBondContact O-CA 3.45Å; N878-T1098 VanDerWaalsContact O-CG2 3.31Å; N878-T1098 WeakPolarHBondContact O-CG2 3.49Å; N878-H1099 PolarHBondContact N-O 3.06Å; N878-H1099 PolarHBondContact O-N 3.08Å; N878-H1099 VanDerWaalsContact O-O 3.11Å; N878-F1101 HydrophobicContact CB-CE2 4.25Å
879H72.3Confident58Low101 Ų10168 Ų6847%0.46834%0.343SS..EExtended strand (participates in β ladder)trans-137.1132175.9168.986.2000108.5E1096 T1098H879-E1096 IonicContact CE1-OE2 2.84Å; H879-E1096 PolarHBondContact CE1-OE2 3.41Å; H879-T1098 HydrophobicContact CB-CG2 4.11Å; H879-T1098 PolarHBondContact ND1-OG1 3.27Å
880Y61Low58.2Low89 Ų8968.7 Ų68.735%0.34935%0.35SS..EExtended strand (participates in β ladder)trans-138.1134.3170.371.8-90.9000112Y851 W882 E1096 V1097Y851-Y880 VanDerWaalsContact OH-CD1 3.24Å; Y851-Y880 WeakPolarHBondContact OH-CD1 3.38Å; Y851-Y880 VanDerWaalsContact OH-CE1 3.29Å; Y851-Y880 WeakPolarHBondContact OH-CE1 3.48Å; Y880-W882 AromaticContact CE2-CD1 3.99Å; Y880-E1096 WeakPolarHBondContact O-CA 3.29Å; Y880-V1097 HydrophobicContact CD1-CB 4.26Å; Y880-V1097 HydrophobicContact CE1-CB 3.67Å; Y880-V1097 HydrophobicContact CE1-CG1 3.87Å; Y880-V1097 HydrophobicContact CE1-CG2 4.5Å; Y880-V1097 HydrophobicContact CE2-CB 4.1Å; Y880-V1097 HydrophobicContact CE2-CG2 4.21Å; Y880-V1097 PolarHBondContact N-O 3.41Å; Y880-V1097 PolarHBondContact O-N 3.32Å
881T62.1Low58.8Low104 Ų10466.5 Ų66.564%0.63834%0.336SS*.EExtended strand (participates in β ladder)trans-93.3140.3169.857.90000109.8G1095 E1096T881-G1095 CarbonylContact C-O 3.57Å; T881-G1095 WeakPolarHBondContact CA-O 3.31Å; T881-E1096 HydrophobicContact CG2-CB 4.23Å
882W59.6Low59.7Low86 Ų8663.7 Ų63.733%0.32632%0.324SS..EExtended strand (participates in β ladder)trans-132.3157.117564.5-84.6000110.9Y880 I1093 G1095Y880-W882 AromaticContact CE2-CD1 3.99Å; W882-I1093 HydrophobicContact CH2-CG2 3.98Å; W882-I1093 HydrophobicContact CZ3-CG2 3.81Å; W882-G1095 VanDerWaalsContact CD1-O 3.31Å; W882-G1095 PolarHBondContact N-O 2.8Å; W882-G1095 PolarHBondContact O-N 2.8Å; W882-G1095 VanDerWaalsContact O-O 3.08Å
883C48.8Very low60.9Low59 Ų5958.8 Ų58.840%0.39930%0.298SS..EExtended strand (participates in β ladder)trans-146.5125.3179-177.80000107.9W885 T1094C883-W885 PolarHBondContact SG-NE1 3.38Å; C883-W885 VanDerWaalsContact SG-NE1 3.44Å; C883-T1094 HydrophobicContact CB-CG2 4Å
884S55.7Low62.3Low47 Ų4754.3 Ų54.333%0.32928%0.281SS..EExtended strand (participates in β ladder)trans-111.1139.2174.7-1660000110.3H1092 I1093S884-H1092 VanDerWaalsContact O-CA 3.28Å; S884-H1092 WeakPolarHBondContact O-CA 3.45Å; S884-H1092 WeakPolarHBondContact O-CB 3.25Å; S884-I1093 PolarHBondContact N-O 3.25Å; S884-I1093 PolarHBondContact O-N 3.03Å
885W53Low62.8Low73 Ų7350.1 Ų50.128%0.27726%0.255SS..EExtended strand (participates in β ladder)trans-111.6124.6-173.4-7487.9000111.2C883 H887 H903 H1092C883-W885 PolarHBondContact SG-NE1 3.38Å; C883-W885 VanDerWaalsContact SG-NE1 3.44Å; W885-H887 AromaticContact CE3-CE1 3.8Å; W885-H903 HydrophobicContact CH2-CB 3.68Å; W885-H903 AromaticContact CH2-CG 3.81Å; W885-H903 HydrophobicContact CZ2-CB 4.11Å; W885-H1092 HydrophobicContact CD2-CB 4.23Å; W885-H1092 HydrophobicContact CE3-CB 4.02Å; W885-H1092 HydrophobicContact CZ3-CB 4.24Å
886F51.5Low63.6Low48 Ų4846.2 Ų46.221%0.21124%0.235CC..  trans-113.376.7175.6-58.1-71.6000108.1V888 Y1084 I1086 L1090 P1091 I1093F886-V888 VanDerWaalsContact O-CG2 3.24Å; F886-V888 WeakPolarHBondContact O-CG2 3.47Å; F886-V888 PolarHBondContact O-N 3.44Å; F886-Y1084 HydrophobicContact CD1-CD2 4.39Å; F886-I1086 HydrophobicContact CB-CD1 3.82Å; F886-I1086 HydrophobicContact CB-CG1 4.16Å; F886-I1086 HydrophobicContact CD1-CD1 4.19Å; F886-I1086 HydrophobicContact CD1-CG2 4.31Å; F886-I1086 HydrophobicContact CD2-CD1 3.94Å; F886-I1086 HydrophobicContact CG-CD1 3.73Å; F886-I1086 HydrophobicContact CG-CG1 4.45Å; F886-L1090 WeakPolarHBondContact CB-O 3.1Å; F886-P1091 CarbonylContact C-O 3.52Å; F886-P1091 PolarHBondContact N-O 2.97Å; F886-P1091 VanDerWaalsContact O-O 3.13Å; F886-I1093 HydrophobicContact CE2-CG2 3.85Å
887H52.8Low63.9Low13 Ų1345 Ų456%0.0623%0.234CC..  trans-63.9105.8177.7-61-77.6000110.5Y356 I360 V362 W885 F1081Y356-H887 AromaticContact CE2-ND1 3.93Å; Y356-H887 AromaticContact CZ-ND1 3.85Å; Y356-H887 PolarHBondContact OH-ND1 2.89Å; I360-H887 HydrophobicContact CG2-CB 4.01Å; V362-H887 WeakPolarHBondContact CG2-O 3.3Å; W885-H887 AromaticContact CE3-CE1 3.8Å; H887-F1081 AromaticContact CE1-CD1 3.51Å; H887-F1081 AromaticContact CE1-CG 3.96Å; H887-F1081 AromaticContact NE2-CD1 3.88Å
888V57.3Low63.8Low10 Ų1048.2 Ų48.26%0.06124%0.243CC..  trans-92.4137.7-179.7-160.10000110.8F886 T890F886-V888 VanDerWaalsContact O-CG2 3.24Å; F886-V888 WeakPolarHBondContact O-CG2 3.47Å; F886-V888 PolarHBondContact O-N 3.44Å; V888-T890 WeakPolarHBondContact CG1-OG1 3.06Å
889N57.6Low63.9Low98 Ų9849.9 Ų49.952%0.52425%0.252SS..THydrogen-bonded Turntrans-72.1-31.4-174.6-166.420.9000113.2V362 I891V362-N889 HydrophobicContact CB-CB 4.35Å; V362-N889 HydrophobicContact CG2-CB 3.71Å; N889-I891 VanDerWaalsContact C-N 3.29Å; N889-I891 PolarHBondContact O-N 3.49Å
890T59.6Low63.4Low60 Ų6045.2 Ų45.237%0.36823%0.23SC..THydrogen-bonded Turntrans-82.75-170.946.10000114.4Y300 V888 G892 N1088Y300-T890 WeakPolarHBondContact CD1-O 3.37Å; V888-T890 WeakPolarHBondContact CG1-OG1 3.06Å; T890-G892 PolarHBondContact O-N 3.04Å; T890-N1088 WeakPolarHBondContact CB-OD1 3.49Å; T890-N1088 PolarHBondContact OG1-OD1 2.98Å
891I63.4Low64.1Low8 Ų842.2 Ų42.24%0.04122%0.219CC..  trans-72.6114.4-166.7-164.3170.4000113.7W353 Y356 L357 N889 P895 I900W353-I891 PolarHBondContact NE1-O 3.09Å; Y356-I891 HydrophobicContact CE1-CG2 4.31Å; L357-I891 HydrophobicContact CD2-CG2 4.23Å; N889-I891 VanDerWaalsContact C-N 3.29Å; N889-I891 PolarHBondContact O-N 3.49Å; I891-P895 HydrophobicContact CD1-CB 3.98Å; I891-P895 HydrophobicContact CG1-CB 3.72Å; I891-I900 HydrophobicContact CD1-CD1 3.56Å; I891-I900 HydrophobicContact CD1-CG1 4.19Å
892G70Confident64.4Low2 Ų239 Ų392%0.02121%0.207CC..  trans-65.5160.9176.500000113.7G304 N305 T890 R894 P895 Y896G304-G892 CarbonylContact O-C 3.56Å; N305-G892 VanDerWaalsContact OD1-CA 3.25Å; N305-G892 WeakPolarHBondContact OD1-CA 3.42Å; T890-G892 PolarHBondContact O-N 3.04Å; G892-R894 VanDerWaalsContact C-N 3.34Å; G892-R894 PolarHBondContact O-N 2.86Å; G892-P895 WeakPolarHBondContact O-CD 3.39Å; G892-Y896 PolarHBondContact O-N 3.5Å
893F80.5Confident64.7Low0 Ų040.1 Ų40.10%022%0.215CC..Hα-helixtrans-58.8-38-176.1-178.6-128.7000114.1G304 N305 A307 L346 F349 R350 W353 Y896 L897G304-F893 PolarHBondContact O-N 3.48Å; N305-F893 HydrophobicContact CB-CB 4.32Å; N305-F893 PolarHBondContact OD1-N 3.06Å; A307-F893 HydrophobicContact CB-CD1 4.24Å; A307-F893 HydrophobicContact CB-CE1 4.01Å; L346-F893 HydrophobicContact CD1-CE1 3.73Å; L346-F893 HydrophobicContact CD1-CZ 3.89Å; L346-F893 HydrophobicContact CG-CE1 4.15Å; L346-F893 HydrophobicContact CG-CZ 4.36Å; F349-F893 HydrophobicContact CB-CE2 4.03Å; F349-F893 HydrophobicContact CB-CZ 4.02Å; F349-F893 WeakPolarHBondContact O-CE2 3.47Å; R350-F893 HydrophobicContact CB-CE1 4.23Å; R350-F893 HydrophobicContact CB-CE2 3.94Å; R350-F893 HydrophobicContact CB-CZ 3.73Å; R350-F893 HydrophobicContact CG-CD1 4.5Å; R350-F893 HydrophobicContact CG-CD2 4.46Å; R350-F893 HydrophobicContact CG-CE1 4.28Å; R350-F893 HydrophobicContact CG-CE2 4.3Å; R350-F893 HydrophobicContact CG-CZ 4.19Å; W353-F893 HydrophobicContact CB-CD2 3.74Å; W353-F893 HydrophobicContact CB-CE2 4.09Å; W353-F893 HydrophobicContact CD2-CB 3.92Å; W353-F893 AromaticContact CD2-CD2 3.83Å; W353-F893 HydrophobicContact CD2-CD2 3.83Å; W353-F893 HydrophobicContact CD2-CG 4.29Å; W353-F893 HydrophobicContact CE3-CB 3.93Å; W353-F893 AromaticContact CE3-CD2 3.92Å; W353-F893 HydrophobicContact CE3-CD2 3.92Å; W353-F893 HydrophobicContact CE3-CG 4.17Å; W353-F893 AromaticContact CG-CD2 3.77Å; W353-F893 HydrophobicContact CG-CD2 3.77Å; W353-F893 HydrophobicContact CH2-CB 4.2Å; W353-F893 HydrophobicContact CZ2-CB 4.17Å; W353-F893 HydrophobicContact CZ3-CB 4.07Å; F893-Y896 HydrophobicContact CD2-CD1 4.13Å; F893-Y896 HydrophobicContact CE2-CD1 4.3Å; F893-Y896 WeakPolarHBondContact O-CB 3.32Å; F893-Y896 PolarHBondContact O-N 3.37Å; F893-L897 HydrophobicContact CD1-CD1 4.24Å; F893-L897 HydrophobicContact CD2-CG 4.35Å; F893-L897 HydrophobicContact CE1-CD1 3.83Å; F893-L897 HydrophobicContact CE2-CD1 4.13Å; F893-L897 HydrophobicContact CE2-CD2 4.08Å; F893-L897 HydrophobicContact CE2-CG 3.96Å; F893-L897 HydrophobicContact CZ-CD1 3.76Å; F893-L897 HydrophobicContact CZ-CD2 4.19Å; F893-L897 HydrophobicContact CZ-CG 4.09Å; F893-L897 WeakPolarHBondContact O-CG 3.32Å; F893-L897 PolarHBondContact O-N 2.91Å
894R80.8Confident65.6Low25 Ų2537.8 Ų37.89%0.09420%0.199CC..Hα-helixtrans-68.9-51.4178.8168.4-167.261.9118.2-0.1112M295 G304 I306 G892 Y896 L897 Q898M295-R894 PolarHBondContact O-NH1 3.37Å; M295-R894 PolarHBondContact O-NH2 3.08Å; G304-R894 WeakPolarHBondContact O-CB 3.3Å; G304-R894 PolarHBondContact O-N 2.99Å; I306-R894 WeakPolarHBondContact O-CB 3.33Å; G892-R894 VanDerWaalsContact C-N 3.34Å; G892-R894 PolarHBondContact O-N 2.86Å; R894-Y896 PolarHBondContact O-N 2.88Å; R894-L897 WeakPolarHBondContact O-CB 3.45Å; R894-L897 PolarHBondContact O-N 3.24Å; R894-L897 VanDerWaalsContact O-N 3.1Å; R894-Q898 WeakPolarHBondContact O-CG 3.49Å; R894-Q898 PolarHBondContact O-N 3.18Å
895P69Low66.3Low6 Ų639.7 Ų39.74%0.03920%0.199CC..Hα-helixtrans-55.4-35.8171.3-29.836000113.9V299 I891 G892 Q898 L899V299-P895 HydrophobicContact CG1-CB 4.48Å; V299-P895 HydrophobicContact CG1-CG 3.57Å; I891-P895 HydrophobicContact CD1-CB 3.98Å; I891-P895 HydrophobicContact CG1-CB 3.72Å; G892-P895 WeakPolarHBondContact O-CD 3.39Å; P895-Q898 PolarHBondContact O-N 3.25Å; P895-L899 WeakPolarHBondContact O-CB 3.5Å; P895-L899 PolarHBondContact O-N 2.85Å
896Y75.4Confident67.1Low0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-60.9-47172.6164-90000112.9Q352 W353 Y356 G892 F893 R894 Q898 I900 E901 I904Q352-Y896 WeakPolarHBondContact CB-OH 3.19Å; W353-Y896 HydrophobicContact CB-CD1 3.68Å; W353-Y896 HydrophobicContact CB-CD2 4.37Å; W353-Y896 HydrophobicContact CB-CE1 3.62Å; W353-Y896 HydrophobicContact CB-CE2 4.29Å; W353-Y896 HydrophobicContact CB-CG 4.07Å; W353-Y896 AromaticContact CD1-CD1 3.88Å; W353-Y896 AromaticContact CD1-CD2 3.66Å; W353-Y896 AromaticContact CD1-CG 3.4Å; W353-Y896 HydrophobicContact CG-CD1 4.02Å; W353-Y896 HydrophobicContact CG-CD2 4.4Å; W353-Y896 HydrophobicContact CG-CE1 4.43Å; W353-Y896 HydrophobicContact CG-CG 4Å; W353-Y896 PolarHBondContact N-OH 2.93Å; Y356-Y896 AromaticContact CD1-CD2 3.62Å; Y356-Y896 HydrophobicContact CD1-CD2 3.62Å; Y356-Y896 AromaticContact CD1-CE2 3.63Å; Y356-Y896 HydrophobicContact CD1-CE2 3.63Å; Y356-Y896 HydrophobicContact CE1-CD2 4.04Å; Y356-Y896 HydrophobicContact CE1-CE2 4.35Å; Y356-Y896 HydrophobicContact CG-CD2 4.38Å; Y356-Y896 AromaticContact CG-CE2 3.92Å; Y356-Y896 HydrophobicContact CG-CE2 3.92Å; G892-Y896 PolarHBondContact O-N 3.5Å; F893-Y896 HydrophobicContact CD2-CD1 4.13Å; F893-Y896 HydrophobicContact CE2-CD1 4.3Å; F893-Y896 WeakPolarHBondContact O-CB 3.32Å; F893-Y896 PolarHBondContact O-N 3.37Å; R894-Y896 PolarHBondContact O-N 2.88Å; Y896-Q898 VanDerWaalsContact C-N 3.28Å; Y896-Q898 PolarHBondContact O-N 2.95Å; Y896-I900 HydrophobicContact CD2-CB 3.9Å; Y896-I900 HydrophobicContact CD2-CG2 3.89Å; Y896-I900 HydrophobicContact CE2-CB 4.38Å; Y896-I900 HydrophobicContact CE2-CG2 3.99Å; Y896-I900 WeakPolarHBondContact O-CA 3.3Å; Y896-I900 WeakPolarHBondContact O-CB 3.5Å; Y896-I900 PolarHBondContact O-N 3.31Å; Y896-E901 HydrophobicContact CE1-CB 4.39Å; Y896-E901 PolarHBondContact O-N 2.89Å; Y896-I904 HydrophobicContact CE2-CD1 3.7Å
897L74.1Confident68.2Low43 Ų4341.4 Ų41.423%0.22521%0.213CC..Hα-helixtrans-61.3-37.8176.1-73.6173.2000111.9A307 L346 F349 F893 R894A307-L897 HydrophobicContact CB-CD1 3.85Å; L346-L897 HydrophobicContact CD1-CD1 4.11Å; F349-L897 HydrophobicContact CB-CD2 3.69Å; F349-L897 HydrophobicContact CD1-CD2 4.36Å; F349-L897 HydrophobicContact CD2-CD2 4.15Å; F349-L897 HydrophobicContact CG-CD2 3.83Å; F893-L897 HydrophobicContact CD1-CD1 4.24Å; F893-L897 HydrophobicContact CD2-CG 4.35Å; F893-L897 HydrophobicContact CE1-CD1 3.83Å; F893-L897 HydrophobicContact CE2-CD1 4.13Å; F893-L897 HydrophobicContact CE2-CD2 4.08Å; F893-L897 HydrophobicContact CE2-CG 3.96Å; F893-L897 HydrophobicContact CZ-CD1 3.76Å; F893-L897 HydrophobicContact CZ-CD2 4.19Å; F893-L897 HydrophobicContact CZ-CG 4.09Å; F893-L897 WeakPolarHBondContact O-CG 3.32Å; F893-L897 PolarHBondContact O-N 2.91Å; R894-L897 WeakPolarHBondContact O-CB 3.45Å; R894-L897 PolarHBondContact O-N 3.24Å; R894-L897 VanDerWaalsContact O-N 3.1Å
898Q70Confident69.2Low120 Ų12041.2 Ų41.256%0.56121%0.212SC*.Hα-helixtrans-80.2-34.9-176.1-69178.4-50.400113.6R894 P895 Y896R894-Q898 WeakPolarHBondContact O-CG 3.49Å; R894-Q898 PolarHBondContact O-N 3.18Å; P895-Q898 PolarHBondContact O-N 3.25Å; Y896-Q898 VanDerWaalsContact C-N 3.28Å; Y896-Q898 PolarHBondContact O-N 2.95Å
899L66.5Low70Confident56 Ų5647.9 Ų47.929%0.29324%0.236SC..Hα-helixtrans-121.3-10-166.3-54.2175.9000114.8P895 P1091 P1116P895-L899 WeakPolarHBondContact O-CB 3.5Å; P895-L899 PolarHBondContact O-N 2.85Å; L899-P1091 HydrophobicContact CB-CG 4.38Å; L899-P1091 HydrophobicContact CD1-CG 3.85Å; L899-P1116 HydrophobicContact CD2-CB 4.26Å
900I63.6Low70.6Confident3 Ų348.9 Ų48.92%0.01524%0.238CC..THydrogen-bonded Turntrans-130.5-43.2-170.5-57.6-164.7000114.2Y356 I891 Y896 G902 H903 I904 P1091Y356-I900 HydrophobicContact CE1-CD1 3.81Å; Y356-I900 HydrophobicContact CE1-CG2 4.01Å; Y356-I900 HydrophobicContact CE2-CG2 4.23Å; Y356-I900 WeakPolarHBondContact OH-CD1 3.35Å; I891-I900 HydrophobicContact CD1-CD1 3.56Å; I891-I900 HydrophobicContact CD1-CG1 4.19Å; Y896-I900 HydrophobicContact CD2-CB 3.9Å; Y896-I900 HydrophobicContact CD2-CG2 3.89Å; Y896-I900 HydrophobicContact CE2-CB 4.38Å; Y896-I900 HydrophobicContact CE2-CG2 3.99Å; Y896-I900 WeakPolarHBondContact O-CA 3.3Å; Y896-I900 WeakPolarHBondContact O-CB 3.5Å; Y896-I900 PolarHBondContact O-N 3.31Å; I900-G902 PolarHBondContact O-N 3.14Å; I900-G902 VanDerWaalsContact O-N 3.12Å; I900-H903 PolarHBondContact O-N 3.4Å; I900-I904 HydrophobicContact CG2-CD1 4.08Å; I900-I904 HydrophobicContact CG2-CG1 4.19Å; I900-I904 HydrophobicContact CG2-CG2 3.84Å; I900-I904 PolarHBondContact O-N 3.02Å; I900-P1091 HydrophobicContact CD1-CB 4.46Å
901E75.5Confident71.1Confident25 Ų2547.7 Ų47.712%0.11723%0.228CC..Hα-helixtrans-49.1-43.8179.2-174-73.9145.400111.4F349 Y896 H903 I904 R905F349-E901 HydrophobicContact CD1-CG 3.74Å; F349-E901 HydrophobicContact CE1-CG 3.57Å; Y896-E901 HydrophobicContact CE1-CB 4.39Å; Y896-E901 PolarHBondContact O-N 2.89Å; E901-H903 PolarHBondContact O-N 3.36Å; E901-I904 PolarHBondContact O-N 2.99Å; E901-R905 PolarHBondContact O-N 3.07Å; E901-R905 IonicContact OE1-CZ 3.37Å; E901-R905 VanDerWaalsContact OE1-CZ 3.31Å; E901-R905 IonicContact OE1-NE 3.1Å; E901-R905 PolarHBondContact OE1-NE 2.93Å; E901-R905 IonicContact OE1-NH2 3.87Å; E901-R905 PolarHBondContact OE1-NH2 2.95Å; E901-R905 IonicContact OE2-CZ 2.67Å; E901-R905 IonicContact OE2-NE 3.91Å; E901-R905 IonicContact OE2-NH2 3.24Å; E901-R905 PolarHBondContact OE2-NH2 2.79Å
902G67.4Low71.4Confident37 Ų3750.9 Ų50.938%0.38124%0.243SC..Hα-helixtrans-42.4-39.9177.500000114.8I900 R905I900-G902 PolarHBondContact O-N 3.14Å; I900-G902 VanDerWaalsContact O-N 3.12Å; G902-R905 PolarHBondContact O-NH1 3.23Å
903H66.5Low71.5Confident110 Ų11053.7 Ų53.751%0.50927%0.266SS..Hα-helixtrans-104-40.3-169.3-57.2-96.4000112.5W885 I900 E901 R905W885-H903 HydrophobicContact CH2-CB 3.68Å; W885-H903 AromaticContact CH2-CG 3.81Å; W885-H903 HydrophobicContact CZ2-CB 4.11Å; I900-H903 PolarHBondContact O-N 3.4Å; E901-H903 PolarHBondContact O-N 3.36Å; H903-R905 PolarHBondContact O-N 2.92Å
904I68.4Low71.1Confident10 Ų1056.2 Ų56.25%0.05128%0.279CS..Hα-helixtrans-81.8-11.2-174.972.9166.2000114.3Y356 Y896 I900 E901 N906 W907 T908 F1081Y356-I904 HydrophobicContact CD2-CD1 3.7Å; Y356-I904 HydrophobicContact CE2-CD1 4.42Å; Y356-I904 HydrophobicContact CG-CD1 3.85Å; Y896-I904 HydrophobicContact CE2-CD1 3.7Å; I900-I904 HydrophobicContact CG2-CD1 4.08Å; I900-I904 HydrophobicContact CG2-CG1 4.19Å; I900-I904 HydrophobicContact CG2-CG2 3.84Å; I900-I904 PolarHBondContact O-N 3.02Å; E901-I904 PolarHBondContact O-N 2.99Å; I904-N906 PolarHBondContact O-N 2.91Å; I904-W907 WeakPolarHBondContact O-CA 3.45Å; I904-W907 WeakPolarHBondContact O-CB 3.49Å; I904-W907 PolarHBondContact O-N 2.84Å; I904-T908 PolarHBondContact O-N 2.95Å; I904-T908 PolarHBondContact O-OG1 3.01Å; I904-F1081 HydrophobicContact CB-CZ 4.34Å; I904-F1081 HydrophobicContact CG2-CE1 3.92Å; I904-F1081 HydrophobicContact CG2-CZ 4.1Å
905R69.9Low70.7Confident86 Ų8661.6 Ų61.633%0.32530%0.301SS..Hα-helixtrans-44.3-32.9-177.3-165.7-173.3-58.3103.9-4.9115.7E901 G902 H903 R909E901-R905 PolarHBondContact O-N 3.07Å; E901-R905 IonicContact OE1-CZ 3.37Å; E901-R905 VanDerWaalsContact OE1-CZ 3.31Å; E901-R905 IonicContact OE1-NE 3.1Å; E901-R905 PolarHBondContact OE1-NE 2.93Å; E901-R905 IonicContact OE1-NH2 3.87Å; E901-R905 PolarHBondContact OE1-NH2 2.95Å; E901-R905 IonicContact OE2-CZ 2.67Å; E901-R905 IonicContact OE2-NE 3.91Å; E901-R905 IonicContact OE2-NH2 3.24Å; E901-R905 PolarHBondContact OE2-NH2 2.79Å; G902-R905 PolarHBondContact O-NH1 3.23Å; H903-R905 PolarHBondContact O-N 2.92Å; R905-R909 WeakPolarHBondContact O-CG 3.48Å; R905-R909 PolarHBondContact O-N 3.26Å; R905-R909 VanDerWaalsContact O-N 3.12Å
906N68.9Low70.9Confident118 Ų11864.7 Ų64.763%0.63131%0.314SS*.Hα-helixtrans-69.9-45.8176.9-69.9-21.1000112.4I904 T908 R909 E910I904-N906 PolarHBondContact O-N 2.91Å; N906-T908 VanDerWaalsContact C-N 3.31Å; N906-R909 PolarHBondContact O-N 3.1Å; N906-E910 PolarHBondContact O-N 3.24Å
907W75.2Confident70.6Confident39 Ų3967.4 Ų67.415%0.14834%0.337CS..Hα-helixtrans-62.4-40.6172.7175.584.8000110.8N355 H359 I904 R909 E910 Q911 P1080 F1081N355-W907 WeakPolarHBondContact ND2-CH2 3.11Å; H359-W907 HydrophobicContact CB-CH2 3.93Å; H359-W907 HydrophobicContact CB-CZ2 3.98Å; H359-W907 AromaticContact CD2-CZ2 3.91Å; H359-W907 AromaticContact CG-CH2 3.76Å; H359-W907 AromaticContact CG-CZ2 3.72Å; H359-W907 AromaticContact ND1-CH2 3.77Å; I904-W907 WeakPolarHBondContact O-CA 3.45Å; I904-W907 WeakPolarHBondContact O-CB 3.49Å; I904-W907 PolarHBondContact O-N 2.84Å; W907-R909 PolarHBondContact O-N 3.03Å; W907-E910 WeakPolarHBondContact O-CB 3.49Å; W907-E910 PolarHBondContact O-N 2.81Å; W907-E910 VanDerWaalsContact O-N 3.08Å; W907-Q911 HydrophobicContact CD2-CG 3.87Å; W907-Q911 HydrophobicContact CE3-CG 4.1Å; W907-Q911 HydrophobicContact CH2-CG 3.84Å; W907-Q911 HydrophobicContact CZ2-CG 3.57Å; W907-Q911 HydrophobicContact CZ3-CG 4.09Å; W907-Q911 WeakPolarHBondContact O-CG 3.3Å; W907-Q911 PolarHBondContact O-N 3.09Å; W907-P1080 HydrophobicContact CZ2-CG 4.1Å; W907-F1081 HydrophobicContact CB-CZ 4.4Å; W907-F1081 AromaticContact CD2-CE2 3.74Å; W907-F1081 HydrophobicContact CD2-CE2 3.74Å; W907-F1081 AromaticContact CD2-CZ 3.63Å; W907-F1081 HydrophobicContact CD2-CZ 3.63Å; W907-F1081 AromaticContact CE2-CE2 3.78Å; W907-F1081 AromaticContact CE3-CE2 3.74Å; W907-F1081 HydrophobicContact CE3-CE2 3.74Å; W907-F1081 AromaticContact CE3-CZ 3.78Å; W907-F1081 HydrophobicContact CE3-CZ 3.78Å; W907-F1081 HydrophobicContact CG-CE2 4.45Å; W907-F1081 AromaticContact CG-CZ 3.92Å; W907-F1081 HydrophobicContact CG-CZ 3.92Å; W907-F1081 AromaticContact CH2-CE2 3.84Å; W907-F1081 HydrophobicContact CH2-CE2 3.84Å; W907-F1081 AromaticContact CZ2-CE2 3.85Å; W907-F1081 HydrophobicContact CZ2-CE2 3.85Å; W907-F1081 AromaticContact CZ3-CE2 3.79Å; W907-F1081 HydrophobicContact CZ3-CE2 3.79Å; W907-F1081 HydrophobicContact CZ3-CZ 4.3Å
908T73.7Confident70.6Confident9 Ų967.2 Ų67.26%0.05534%0.341CS..Hα-helixtrans-63.3-39.9-179.8-41.70000112.9Q352 I904 N906 E910 Q911 E912Q352-T908 HydrophobicContact CB-CG2 3.75Å; Q352-T908 VanDerWaalsContact CD-CG2 3.47Å; Q352-T908 HydrophobicContact CG-CG2 3.39Å; I904-T908 PolarHBondContact O-N 2.95Å; I904-T908 PolarHBondContact O-OG1 3.01Å; N906-T908 VanDerWaalsContact C-N 3.31Å; T908-E910 VanDerWaalsContact C-N 3.29Å; T908-E910 PolarHBondContact O-N 3.19Å; T908-Q911 PolarHBondContact O-N 3.41Å; T908-E912 WeakPolarHBondContact O-CB 3.4Å; T908-E912 PolarHBondContact O-N 3.34Å
909R73.7Confident71Confident150 Ų15066.6 Ų66.657%0.56634%0.337SS*.Hα-helixtrans-63.3-33.7172.7-75.6169.5175.9159.6-2.5112.9R905 N906 W907 A913R905-R909 WeakPolarHBondContact O-CG 3.48Å; R905-R909 PolarHBondContact O-N 3.26Å; R905-R909 VanDerWaalsContact O-N 3.12Å; N906-R909 PolarHBondContact O-N 3.1Å; W907-R909 PolarHBondContact O-N 3.03Å; R909-A913 WeakPolarHBondContact O-CB 3.38Å; R909-A913 PolarHBondContact O-N 3.28Å
910E69.7Low70.7Confident120 Ų12068.4 Ų68.456%0.56135%0.346SS*.Hα-helixtrans-68.3-45.3174.9-172.7169.9-152.800110.9N906 W907 T908 E912 A913 I914N906-E910 PolarHBondContact O-N 3.24Å; W907-E910 WeakPolarHBondContact O-CB 3.49Å; W907-E910 PolarHBondContact O-N 2.81Å; W907-E910 VanDerWaalsContact O-N 3.08Å; T908-E910 VanDerWaalsContact C-N 3.29Å; T908-E910 PolarHBondContact O-N 3.19Å; E910-E912 VanDerWaalsContact C-N 3.33Å; E910-E912 PolarHBondContact O-N 3.24Å; E910-A913 PolarHBondContact O-N 3.44Å; E910-I914 HydrophobicContact CG-CD1 4.34Å; E910-I914 WeakPolarHBondContact O-CD1 3.34Å; E910-I914 VanDerWaalsContact O-CG1 3.26Å; E910-I914 WeakPolarHBondContact O-CG1 3.49Å; E910-I914 PolarHBondContact O-N 3.04Å
911Q70.3Confident71.2Confident35 Ų3571.1 Ų71.116%0.16437%0.365CS..Hα-helixtrans-62.4-38173.7-62.3-52.1-44.800112.9W907 T908 I914 Y915W907-Q911 HydrophobicContact CD2-CG 3.87Å; W907-Q911 HydrophobicContact CE3-CG 4.1Å; W907-Q911 HydrophobicContact CH2-CG 3.84Å; W907-Q911 HydrophobicContact CZ2-CG 3.57Å; W907-Q911 HydrophobicContact CZ3-CG 4.09Å; W907-Q911 WeakPolarHBondContact O-CG 3.3Å; W907-Q911 PolarHBondContact O-N 3.09Å; T908-Q911 PolarHBondContact O-N 3.41Å; Q911-I914 PolarHBondContact O-N 3.43Å; Q911-Y915 WeakPolarHBondContact O-CB 3.5Å; Q911-Y915 PolarHBondContact O-N 3.44Å
912E70.7Confident71Confident74 Ų7471.8 Ų71.835%0.34638%0.375SS..Hα-helixtrans-66.7-42175179.8163.9-107.200112.5R351 T908 E910 I914 Y915 E916R351-E912 IonicContact NH2-OE1 2.93Å; R351-E912 PolarHBondContact NH2-OE1 2.74Å; T908-E912 WeakPolarHBondContact O-CB 3.4Å; T908-E912 PolarHBondContact O-N 3.34Å; E910-E912 VanDerWaalsContact C-N 3.33Å; E910-E912 PolarHBondContact O-N 3.24Å; E912-I914 VanDerWaalsContact C-N 3.29Å; E912-I914 PolarHBondContact O-N 2.94Å; E912-Y915 PolarHBondContact O-N 3.32Å; E912-E916 PolarHBondContact O-N 3.27Å
913A72Confident71.1Confident62 Ų6275.6 Ų75.651%0.51238%0.383SS..Hα-helixtrans-61.8-37.6173.100000112R909 E910 A917R909-A913 WeakPolarHBondContact O-CB 3.38Å; R909-A913 PolarHBondContact O-N 3.28Å; E910-A913 PolarHBondContact O-N 3.44Å; A913-A917 WeakPolarHBondContact O-CB 3.43Å; A913-A917 PolarHBondContact O-N 3.15Å
914I72.8Confident71Confident52 Ų5275.2 Ų75.227%0.26738%0.384SS..Hα-helixtrans-67.3-41.9173.8-64.2161.9000110.9E910 Q911 E912 A917 A918 L983E910-I914 HydrophobicContact CG-CD1 4.34Å; E910-I914 WeakPolarHBondContact O-CD1 3.34Å; E910-I914 VanDerWaalsContact O-CG1 3.26Å; E910-I914 WeakPolarHBondContact O-CG1 3.49Å; E910-I914 PolarHBondContact O-N 3.04Å; Q911-I914 PolarHBondContact O-N 3.43Å; E912-I914 VanDerWaalsContact C-N 3.29Å; E912-I914 PolarHBondContact O-N 2.94Å; I914-A917 PolarHBondContact O-N 3.22Å; I914-A918 WeakPolarHBondContact O-CB 3.36Å; I914-A918 PolarHBondContact O-N 2.99Å; I914-L983 HydrophobicContact CG2-CD1 3.75Å; I914-L983 HydrophobicContact CG2-CD2 3.54Å; I914-L983 HydrophobicContact CG2-CG 4.28Å
915Y71.2Confident70.5Confident139 Ų13980.6 Ų80.655%0.54541%0.412SS..Hα-helixtrans-62.1-48.8177.2176.6-95.6000112.4Q911 E912 A918 K919Q911-Y915 WeakPolarHBondContact O-CB 3.5Å; Q911-Y915 PolarHBondContact O-N 3.44Å; E912-Y915 PolarHBondContact O-N 3.32Å; Y915-A918 PolarHBondContact O-N 3.31Å; Y915-K919 HydrophobicContact CE1-CD 4.19Å; Y915-K919 WeakPolarHBondContact O-CB 3.49Å; Y915-K919 PolarHBondContact O-N 2.98Å
916E72.6Confident69.8Low71 Ų7180.8 Ų80.833%0.33242%0.416SS..Hα-helixtrans-67.9-35.5177.3-73.2-63.2136.200111.9E912 A918 K919 L920E912-E916 PolarHBondContact O-N 3.27Å; E916-A918 PolarHBondContact O-N 3.01Å; E916-K919 PolarHBondContact O-N 3.19Å; E916-K919 WeakPolarHBondContact OE1-CD 3.49Å; E916-K919 IonicContact OE1-NZ 2.73Å; E916-K919 PolarHBondContact OE1-NZ 2.79Å; E916-K919 WeakPolarHBondContact OE2-CD 3.23Å; E916-K919 IonicContact OE2-NZ 3.64Å; E916-K919 PolarHBondContact OE2-NZ 3.46Å; E916-L920 WeakPolarHBondContact O-CB 3.39Å; E916-L920 VanDerWaalsContact O-CG 3.3Å; E916-L920 WeakPolarHBondContact O-CG 3.34Å; E916-L920 PolarHBondContact O-N 3.34Å
917A69.1Low68.9Low57 Ų5779 Ų7947%0.47141%0.41SS..Hα-helixtrans-62.7-40.7171.100000112.4A913 I914 S921A913-A917 WeakPolarHBondContact O-CB 3.43Å; A913-A917 PolarHBondContact O-N 3.15Å; I914-A917 PolarHBondContact O-N 3.22Å; A917-S921 WeakPolarHBondContact O-CB 3.43Å; A917-S921 PolarHBondContact O-N 2.8Å
918A75.2Confident67.4Low38 Ų3881.8 Ų81.831%0.31443%0.428SS..Hα-helixtrans-64.4-44.6175.400000111.4I914 Y915 E916 S921 A922I914-A918 WeakPolarHBondContact O-CB 3.36Å; I914-A918 PolarHBondContact O-N 2.99Å; Y915-A918 PolarHBondContact O-N 3.31Å; E916-A918 PolarHBondContact O-N 3.01Å; A918-S921 PolarHBondContact O-N 2.96Å; A918-S921 PolarHBondContact O-OG 3.41Å; A918-A922 PolarHBondContact O-N 2.92Å
919K77.2Confident65.9Low108 Ų10887.7 Ų87.747%0.4746%0.459SS..Hα-helixtrans-59.8-47.1175.8178.4176.4158.3-142.70112.2Y915 E916 A922 E923Y915-K919 HydrophobicContact CE1-CD 4.19Å; Y915-K919 WeakPolarHBondContact O-CB 3.49Å; Y915-K919 PolarHBondContact O-N 2.98Å; E916-K919 PolarHBondContact O-N 3.19Å; E916-K919 WeakPolarHBondContact OE1-CD 3.49Å; E916-K919 IonicContact OE1-NZ 2.73Å; E916-K919 PolarHBondContact OE1-NZ 2.79Å; E916-K919 WeakPolarHBondContact OE2-CD 3.23Å; E916-K919 IonicContact OE2-NZ 3.64Å; E916-K919 PolarHBondContact OE2-NZ 3.46Å; K919-A922 PolarHBondContact O-N 2.98Å; K919-E923 PolarHBondContact O-N 3.42Å
920L61.7Low64.2Low94 Ų9487 Ų8749%0.49247%0.466SS..Hα-helixtrans-62-41.3173.2-72.6168.3000112.2E916 A922 E923 I924E916-L920 WeakPolarHBondContact O-CB 3.39Å; E916-L920 VanDerWaalsContact O-CG 3.3Å; E916-L920 WeakPolarHBondContact O-CG 3.34Å; E916-L920 PolarHBondContact O-N 3.34Å; L920-A922 VanDerWaalsContact C-N 3.27Å; L920-A922 PolarHBondContact O-N 3.23Å; L920-E923 WeakPolarHBondContact O-CA 3.33Å; L920-E923 WeakPolarHBondContact O-CB 3.47Å; L920-E923 PolarHBondContact O-N 3.29Å; L920-I924 WeakPolarHBondContact O-CG1 3.23Å; L920-I924 PolarHBondContact O-N 3.42Å
921S72.7Confident62.4Low59 Ų5985.5 Ų85.541%0.41347%0.468SS..Hα-helixtrans-62.2-36.3176.482.30000112.2A917 A918 E923 L925A917-S921 WeakPolarHBondContact O-CB 3.43Å; A917-S921 PolarHBondContact O-N 2.8Å; A918-S921 PolarHBondContact O-N 2.96Å; A918-S921 PolarHBondContact O-OG 3.41Å; S921-E923 PolarHBondContact O-N 3.34Å; S921-L925 WeakPolarHBondContact O-CB 3.38Å; S921-L925 WeakPolarHBondContact O-CG 3.38Å; S921-L925 PolarHBondContact O-N 3.35Å; S921-L925 VanDerWaalsContact O-N 3.14Å
922A71.9Confident60.6Low40 Ų4089.4 Ų89.433%0.33149%0.494SS..Hα-helixtrans-74-12.9175.300000113.5A918 K919 L920 Q926 K996A918-A922 PolarHBondContact O-N 2.92Å; K919-A922 PolarHBondContact O-N 2.98Å; L920-A922 VanDerWaalsContact C-N 3.27Å; L920-A922 PolarHBondContact O-N 3.23Å; A922-Q926 WeakPolarHBondContact O-CG 3.25Å; A922-Q926 PolarHBondContact O-NE2 3.18Å; A922-K996 PolarHBondContact O-NZ 3.43Å
923E70.7Confident58.5Low117 Ų11793.9 Ų93.955%0.54752%0.515SS..Hα-helixtrans-88.6-46.6170.4-168.7170.4179.900112K919 L920 S921 L925 Q926 T927K919-E923 PolarHBondContact O-N 3.42Å; L920-E923 WeakPolarHBondContact O-CA 3.33Å; L920-E923 WeakPolarHBondContact O-CB 3.47Å; L920-E923 PolarHBondContact O-N 3.29Å; S921-E923 PolarHBondContact O-N 3.34Å; E923-L925 VanDerWaalsContact C-N 3.27Å; E923-L925 PolarHBondContact O-N 3.29Å; E923-Q926 WeakPolarHBondContact O-CA 3.13Å; E923-Q926 VanDerWaalsContact O-CB 3.3Å; E923-Q926 WeakPolarHBondContact O-CB 3.06Å; E923-Q926 PolarHBondContact O-N 3.42Å; E923-T927 PolarHBondContact O-N 3.31Å
924I63.9Low56.2Low101 Ų10198.4 Ų98.452%0.51853%0.53SS..Hα-helixtrans-58-40.7176.2-64.7164.8000111.2L920 Q926 T927 D928L920-I924 WeakPolarHBondContact O-CG1 3.23Å; L920-I924 PolarHBondContact O-N 3.42Å; I924-Q926 PolarHBondContact O-N 3.46Å; I924-T927 PolarHBondContact O-N 3.17Å; I924-T927 PolarHBondContact O-OG1 3.4Å; I924-D928 PolarHBondContact O-N 2.95Å
925L56.9Low53.9Low123 Ų123101.4 Ų101.464%0.64456%0.556SS**Hα-helixtrans-64.2-8.6174-72.9169.9000114.3S921 E923S921-L925 WeakPolarHBondContact O-CB 3.38Å; S921-L925 WeakPolarHBondContact O-CG 3.38Å; S921-L925 PolarHBondContact O-N 3.35Å; S921-L925 VanDerWaalsContact O-N 3.14Å; E923-L925 VanDerWaalsContact C-N 3.27Å; E923-L925 PolarHBondContact O-N 3.29Å
926Q54.9Low51.5Low90 Ų90100.6 Ų100.642%0.42157%0.571SS.*Hα-helixtrans-94.1-22.8171.6-64174.19300113A922 E923 I924 I930 K996A922-Q926 WeakPolarHBondContact O-CG 3.25Å; A922-Q926 PolarHBondContact O-NE2 3.18Å; E923-Q926 WeakPolarHBondContact O-CA 3.13Å; E923-Q926 VanDerWaalsContact O-CB 3.3Å; E923-Q926 WeakPolarHBondContact O-CB 3.06Å; E923-Q926 PolarHBondContact O-N 3.42Å; I924-Q926 PolarHBondContact O-N 3.46Å; Q926-I930 WeakPolarHBondContact O-CD1 3.34Å; Q926-K996 VanDerWaalsContact OE1-CE 3.26Å
927T50.2Low49.1Very low82 Ų82102.3 Ų102.350%0.50359%0.591SS.*Hα-helixtrans-82.5-36.6-179.149.70000112.7E923 I924 D929 I930E923-T927 PolarHBondContact O-N 3.31Å; I924-T927 PolarHBondContact O-N 3.17Å; I924-T927 PolarHBondContact O-OG1 3.4Å; T927-D929 PolarHBondContact O-N 3.45Å; T927-I930 PolarHBondContact O-N 3.29Å
928D44.1Very low46.8Very low96 Ų96105.4 Ų105.451%0.51360%0.604SS.*Hα-helixtrans-66.3-41.7-175-74.7-5.4000112.4I924 I930 S931I924-D928 PolarHBondContact O-N 2.95Å; D928-I930 PolarHBondContact O-N 2.95Å; D928-I930 VanDerWaalsContact O-N 3.15Å; D928-S931 WeakPolarHBondContact O-CB 3.17Å; D928-S931 PolarHBondContact O-N 3.01Å; D928-S931 PolarHBondContact O-OG 3.48Å
929D42.8Very low44.3Very low134 Ų134111.5 Ų111.572%0.71763%0.626SS**Hα-helixtrans-60.2-23.5177-90.4-16.9000113.6T927T927-D929 PolarHBondContact O-N 3.45Å
930I37.8Very low41.7Very low136 Ų136113.9 Ų113.970%0.69764%0.639SS**Hα-helixtrans-81.4-27178.6-60.2175.3000111.2Q926 T927 D928 V932Q926-I930 WeakPolarHBondContact O-CD1 3.34Å; T927-I930 PolarHBondContact O-N 3.29Å; D928-I930 PolarHBondContact O-N 2.95Å; D928-I930 VanDerWaalsContact O-N 3.15Å; I930-V932 PolarHBondContact O-N 3.07Å
931S32.2Very low39.9Very low87 Ų87115 Ų11561%0.60865%0.654SS**Hα-helixtrans-73.1-26.1-172.4730000114.7D928D928-S931 WeakPolarHBondContact O-CB 3.17Å; D928-S931 PolarHBondContact O-N 3.01Å; D928-S931 PolarHBondContact O-OG 3.48Å
932V31.1Very low37.8Very low117 Ų117117.9 Ų117.971%0.70967%0.671SS**THydrogen-bonded Turntrans-84.8-17.1-160.1-179.10000114.7I930I930-V932 PolarHBondContact O-N 3.07Å
933Q27Very low35.5Very low169 Ų169123 Ų12379%0.7970%0.699SS**THydrogen-bonded Turntrans-92.6-3.9-167.6-64-154.97.500117.3
934N23.7Very low33.3Very low157 Ų157126.4 Ų126.484%0.8471%0.712SS**SBendtrans-124.149.6-167.6-82.9-45.9000116.8
935S25Very low31.6Very low114 Ų114127.1 Ų127.180%0.79772%0.723SS**  trans-156.4103157.462.50000113.6
936S20.2Very low30.1Very low123 Ų123127.5 Ų127.586%0.8672%0.724SS**  trans-138.364.1-178.350.90000113.7
937S22.1Very low28.7Very low107 Ų107132.2 Ų132.275%0.74874%0.743SS**  trans-173.4140.9175.351.60000109.3
938T21.8Very low27.5Very low122 Ų122137.4 Ų137.475%0.74876%0.759SS**  cis-158.5178.4-10.4-68.40000106.1
939E23.3Very low26.4Very low166 Ų166140.2 Ų140.278%0.77677%0.774SS**  trans82.1149.7168.9-53.6-169.1170.300118
940Q21.2Very low25.5Very low158 Ų158139.2 Ų139.274%0.73878%0.777SS**  cis-162.6119.9-42.8-122.1-179.292.900111.3
941S23.8Very low24.9Very low117 Ų117138.7 Ų138.782%0.81878%0.783SS**  trans70.3159.8156.179.90000121.8
942P28.7Very low24.5Very low119 Ų119144.6 Ų144.677%0.77380%0.797SS**  trans-136.6169-16442.4-24.5000118
943T23.4Very low24.3Very low148 Ų148144.9 Ų144.991%0.90881%0.805SS**  trans-142.4144.9163.928.30000114.4
944K26.2Very low24.1Very low189 Ų189144.4 Ų144.482%0.82280%0.803SS**  trans-120.1158.7172.7-58.5173.7177.3173.60107.7
945P26.9Very low24.1Very low115 Ų115146 Ų14675%0.74780%0.802SS**  -165.7131.276.239.9-15.2000121.1
946I26.1Very low24Very low132 Ų132144.5 Ų144.568%0.67780%0.804SS**  56.7119.6114.6-62.4175.3000122.9
947K25.5Very low24.2Very low189 Ų189143.2 Ų143.282%0.82280%0.801SS**  trans71.1134.1145.2-71.3169.3-171.51750124.6
948K23.9Very low24.4Very low191 Ų191147.2 Ų147.283%0.8381%0.805SS**  -167.2117.3123.2-98.8159.3-172.4176.10108.3
949N22.4Very low24.5Very low155 Ų155147.7 Ų147.783%0.82981%0.808SS**  90.6146.290.2-76.516.9000114.3
950S23.2Very low24.6Very low112 Ų112150.4 Ų150.478%0.78382%0.817SS**  trans-142.2159.2-166.856.20000114.6
951P25.2Very low24.6Very low126 Ų126153.6 Ų153.682%0.81882%0.823SS**  trans-105.7174.5168.926.3-9.5000113.8
952K24Very low24.7Very low210 Ų210155.3 Ų155.391%0.91382%0.823SS**  trans-133.7143.7-178-64.2172176.8174.10111.5
953S25.8Very low24.6Very low124 Ų124161.5 Ų161.587%0.86783%0.83SS**  trans-141.4-164.716269.20000110.6
954Q24.2Very low24.6Very low158 Ų158159.5 Ų159.574%0.73882%0.823SS**  trans-163.3161.8-158.5-112.1-172.432.600115
955K22.4Very low24.5Very low192 Ų192156.5 Ų156.584%0.83582%0.821SS**  trans68.2135.7159.3-65.6168.3-173.9-177.90118.2
956G23.6Very low24.4Very low81 Ų81156.6 Ų156.684%0.83582%0.824SS**  trans160114.9165.400000114.1
957A24Very low24.2Very low97 Ų97153.2 Ų153.280%0.80282%0.821SS**  trans-80.4166.6-165.400000117.7
958K26.3Very low24.2Very low190 Ų190150 Ų15083%0.82682%0.822SS**  trans71.399.2152.1-73.7-179.8176.5-178.40121.4
959T24.1Very low24.2Very low133 Ų133149.4 Ų149.482%0.81682%0.823SS**  46.5100.6127.355.80000121
960K25.8Very low24.5Very low222 Ų222146.2 Ų146.297%0.96581%0.812SS**  -150.9166.3126.7-122.1173.5-177178.60111.5
961R21.7Very low24.8Very low225 Ų225148.6 Ų148.685%0.84981%0.811SS**  trans-81.5155.2-172.3-99.4175.3170.6154-6.9112.7
962N25.3Very low24.9Very low153 Ų153145.7 Ų145.782%0.81880%0.798SS**  trans65.6132.8161.9-49.7-10.3000114.3
963R25.8Very low25.2Very low249 Ų249138.3 Ų138.394%0.9477%0.773SS**  cis-146.8157.739.6-145.4172.3-171.4161.1-0111.1
964S24.9Very low25.5Very low107 Ų107137.2 Ų137.275%0.74876%0.756SS**  trans-84.8145.5178.147.30000113.5
965T24.4Very low26Very low126 Ų126133.6 Ų133.677%0.77375%0.745SS**  trans1.1146.9146.8-32.80000120
966S24Very low26.6Very low117 Ų117130.9 Ų130.982%0.81874%0.735SS**  trans65.7145.8162.939.30000117.7
967G22Very low27.3Very low60 Ų60132 Ų13262%0.61972%0.722SS**  cis148.554.8-500000115E969G967-E969 PolarHBondContact O-N 2.78Å
968S25.4Very low28Very low121 Ų121133 Ų13385%0.84671%0.71SS**  trans40.867.4164.861.40000115.4
969E24.6Very low28.4Very low179 Ų179128.1 Ų128.184%0.83669%0.692SS**  trans-67.4137.5154.4-66.7-174.1162.400108.1G967G967-E969 PolarHBondContact O-N 2.78Å
970S28.3Very low28.8Very low88 Ų88125.6 Ų125.662%0.61567%0.67SS**  trans-70.2145.1-167.641.70000113.2A972 S973S970-A972 PolarHBondContact O-N 2.84Å; S970-S973 PolarHBondContact O-N 3.15Å; S970-S973 VanDerWaalsContact O-N 3.08Å
971E28.8Very low29.5Very low163 Ų163119.6 Ų119.676%0.76266%0.655SS**THydrogen-bonded Turntrans-58.2-19.6-168.6-64.7165.3143.300114.6S973 I974E971-S973 PolarHBondContact O-N 3.32Å; E971-S973 VanDerWaalsContact O-N 3.16Å; E971-I974 PolarHBondContact O-N 2.88Å
972A27.9Very low30.1Very low65 Ų65114.2 Ų114.254%0.53764%0.643SS.*Hα-helixtrans-52.3-33.5171.700000113.7S970 I974 Q976S970-A972 PolarHBondContact O-N 2.84Å; A972-I974 VanDerWaalsContact C-N 3.32Å; A972-I974 PolarHBondContact O-N 3.37Å; A972-Q976 PolarHBondContact O-N 3.3Å
973S29.2Very low30.5Very low55 Ų55109.8 Ų109.839%0.38562%0.619SS.*Hα-helixtrans-72.4-21.2179.1-59.30000113.8S970 E971 N977S970-S973 PolarHBondContact O-N 3.15Å; S970-S973 VanDerWaalsContact O-N 3.08Å; E971-S973 PolarHBondContact O-N 3.32Å; E971-S973 VanDerWaalsContact O-N 3.16Å; S973-N977 PolarHBondContact O-ND2 2.79Å
974I31.9Very low30.8Very low101 Ų10199.8 Ų99.852%0.51859%0.594SS.*Hα-helixtrans-79.8-49.6178.6-61.5176.6000109.1E971 A972 Q976 N977 E978E971-I974 PolarHBondContact O-N 2.88Å; A972-I974 VanDerWaalsContact C-N 3.32Å; A972-I974 PolarHBondContact O-N 3.37Å; I974-Q976 VanDerWaalsContact C-N 3.28Å; I974-Q976 PolarHBondContact O-N 3.2Å; I974-N977 PolarHBondContact O-N 3.03Å; I974-E978 PolarHBondContact O-N 2.93Å
975V36.7Very low31.3Very low82 Ų8298.4 Ų98.450%0.49758%0.578SS.*Hα-helixtrans-57.3-40.6178-1770000111.7N977 I979V975-N977 VanDerWaalsContact C-N 3.3Å; V975-N977 PolarHBondContact O-N 3.34Å; V975-I979 HydrophobicContact CG1-CD1 3.81Å; V975-I979 HydrophobicContact CG1-CG1 4.47Å; V975-I979 WeakPolarHBondContact O-CB 3.4Å; V975-I979 VanDerWaalsContact O-CG1 3.31Å; V975-I979 WeakPolarHBondContact O-CG1 3.43Å; V975-I979 PolarHBondContact O-N 3.44Å
976Q34.3Very low31.6Very low134 Ų13496.5 Ų96.563%0.62657%0.568SS**Hα-helixtrans-64.8-30.2175.2-76.3-170.4-11.200113.9A972 I974 K980A972-Q976 PolarHBondContact O-N 3.3Å; I974-Q976 VanDerWaalsContact C-N 3.28Å; I974-Q976 PolarHBondContact O-N 3.2Å; Q976-K980 WeakPolarHBondContact O-CB 3.32Å; Q976-K980 VanDerWaalsContact O-CG 3.31Å; Q976-K980 WeakPolarHBondContact O-CG 3.34Å; Q976-K980 PolarHBondContact O-N 2.86Å; Q976-K980 VanDerWaalsContact O-N 3.15Å
977N37.4Very low32.2Very low105 Ų10595.8 Ų95.856%0.56156%0.555SS**Hα-helixtrans-82.4-36.8179.3-76.8-38.3000112.3S973 I974 V975 K980 S981S973-N977 PolarHBondContact O-ND2 2.79Å; I974-N977 PolarHBondContact O-N 3.03Å; V975-N977 VanDerWaalsContact C-N 3.3Å; V975-N977 PolarHBondContact O-N 3.34Å; N977-K980 PolarHBondContact O-N 2.96Å; N977-S981 PolarHBondContact O-N 3.36Å
978E39.2Very low33Very low118 Ų118101.2 Ų101.255%0.55156%0.564SS**Hα-helixtrans-67.4-43.6174.7-69.4179.4152.200110.9I974 K980 S981 L982I974-E978 PolarHBondContact O-N 2.93Å; E978-K980 PolarHBondContact O-N 3.26Å; E978-S981 PolarHBondContact O-N 3.08Å; E978-S981 PolarHBondContact O-OG 2.93Å; E978-L982 PolarHBondContact O-N 3.07Å; E978-L982 VanDerWaalsContact O-N 3.16Å
979I34Very low33.3Very low88 Ų88103.4 Ų103.445%0.45156%0.558SS.*Hα-helixtrans-61.6-41.7172.7-65.9172.1000111.3V975 S981 L982 L983V975-I979 HydrophobicContact CG1-CD1 3.81Å; V975-I979 HydrophobicContact CG1-CG1 4.47Å; V975-I979 WeakPolarHBondContact O-CB 3.4Å; V975-I979 VanDerWaalsContact O-CG1 3.31Å; V975-I979 WeakPolarHBondContact O-CG1 3.43Å; V975-I979 PolarHBondContact O-N 3.44Å; I979-S981 PolarHBondContact O-N 3.06Å; I979-L982 PolarHBondContact O-N 3.3Å; I979-L983 PolarHBondContact O-N 3.13Å
980K33.4Very low33.9Very low80 Ų8097.9 Ų97.935%0.34853%0.534SS..Hα-helixtrans-59.8-30172.8-90171.5169.7-82.80113.7Q976 N977 E978 G984 D985Q976-K980 WeakPolarHBondContact O-CB 3.32Å; Q976-K980 VanDerWaalsContact O-CG 3.31Å; Q976-K980 WeakPolarHBondContact O-CG 3.34Å; Q976-K980 PolarHBondContact O-N 2.86Å; Q976-K980 VanDerWaalsContact O-N 3.15Å; N977-K980 PolarHBondContact O-N 2.96Å; E978-K980 PolarHBondContact O-N 3.26Å; K980-G984 WeakPolarHBondContact CA-O 3.35Å; K980-G984 WeakPolarHBondContact O-CA 3.44Å; K980-G984 PolarHBondContact O-N 3.38Å; K980-D985 IonicContact NZ-OD1 3.24Å; K980-D985 PolarHBondContact NZ-OD1 3.37Å; K980-D985 IonicContact NZ-OD2 3.67Å; K980-D985 PolarHBondContact NZ-OD2 3.38Å
981S41.4Very low34.5Very low95 Ų9599.7 Ų99.766%0.66454%0.536SS*.Hα-helixtrans-79.8-23.6178.975.40000113.6N977 E978 I979N977-S981 PolarHBondContact O-N 3.36Å; E978-S981 PolarHBondContact O-N 3.08Å; E978-S981 PolarHBondContact O-OG 2.93Å; I979-S981 PolarHBondContact O-N 3.06Å
982L34Very low34.8Very low113 Ų11395.4 Ų95.459%0.59252%0.522SS*.Hα-helixtrans-98.1-30.7-179.3-69.4171.7000113.6E978 I979E978-L982 PolarHBondContact O-N 3.07Å; E978-L982 VanDerWaalsContact O-N 3.16Å; I979-L982 PolarHBondContact O-N 3.3Å
983L32.5Very low35.3Very low59 Ų5995.9 Ų95.931%0.30953%0.534SS..Hα-helixtrans-118.85.7-175-11673.8000115.1I914 I979I914-L983 HydrophobicContact CG2-CD1 3.75Å; I914-L983 HydrophobicContact CG2-CD2 3.54Å; I914-L983 HydrophobicContact CG2-CG 4.28Å; I979-L983 PolarHBondContact O-N 3.13Å
984G31.7Very low35.8Very low40 Ų4095.6 Ų95.641%0.41253%0.532SS..  trans70.6-163-171.900000112.9K980 P986K980-G984 WeakPolarHBondContact CA-O 3.35Å; K980-G984 WeakPolarHBondContact O-CA 3.44Å; K980-G984 PolarHBondContact O-N 3.38Å; G984-P986 WeakPolarHBondContact O-CD 3.46Å
985D36.3Very low36.6Very low78 Ų7896.4 Ų96.442%0.41754%0.537SS..  trans-86.5115-178.8-143.1-46.3000110.3K980 N987 E988K980-D985 IonicContact NZ-OD1 3.24Å; K980-D985 PolarHBondContact NZ-OD1 3.37Å; K980-D985 IonicContact NZ-OD2 3.67Å; K980-D985 PolarHBondContact NZ-OD2 3.38Å; D985-N987 PolarHBondContact O-N 2.96Å; D985-N987 PolarHBondContact OD1-ND2 3.42Å; D985-E988 PolarHBondContact O-N 2.71Å; D985-E988 VanDerWaalsContact O-N 3.13Å
986P31.4Very low37.3Very low86 Ų8696.2 Ų96.256%0.55853%0.529SS*.THydrogen-bonded Turntrans-678-171.626.8-36.2000115.1G984G984-P986 WeakPolarHBondContact O-CD 3.46Å
987N35Very low38Very low101 Ų10191.2 Ų91.254%0.5451%0.51SS..THydrogen-bonded Turntrans-85-11.8171.8-72.4-82.9000113.7D985D985-N987 PolarHBondContact O-N 2.96Å; D985-N987 PolarHBondContact OD1-ND2 3.42Å
988E38.8Very low38.6Very low174 Ų17488.6 Ų88.681%0.81350%0.503SS*.THydrogen-bonded Turntrans-81.3-21.6-176.6-156.6140-129.700112.9D985 I990D985-E988 PolarHBondContact O-N 2.71Å; D985-E988 VanDerWaalsContact O-N 3.13Å; E988-I990 PolarHBondContact O-N 2.67Å
989F32Very low39.8Very low167 Ų16787.8 Ų87.873%0.73250%0.5SS*.THydrogen-bonded Turntrans-90.428.8-177.5-62.2-72.7000115.5L991F989-L991 PolarHBondContact O-N 2.93Å
990I38.6Very low41.2Very low64 Ų6489.4 Ų89.433%0.32850%0.5SS..  trans-82.997.1174.5-57.9179.8000109.7E988 A997 R1000E988-I990 PolarHBondContact O-N 2.67Å; I990-A997 HydrophobicContact CG2-CB 4.36Å; I990-R1000 VanDerWaalsContact CD1-NH1 3.29Å
991L40Very low42.5Very low125 Ų12592.2 Ų92.265%0.65451%0.514SS*.  trans-49.3121.1-178.8-14279.2000112.3F989 S994F989-L991 PolarHBondContact O-N 2.93Å; L991-S994 WeakPolarHBondContact O-CB 3.35Å; L991-S994 PolarHBondContact O-N 3.29Å
992P34.2Very low43.7Very low73 Ų7394.6 Ų94.647%0.47452%0.515SS..THydrogen-bonded Turntrans-59147.8176-24.735.6000111.7D37 S994D37-P992 WeakPolarHBondContact OD2-CB 3.36Å; D37-P992 WeakPolarHBondContact OD2-CG 3.49Å; P992-S994 PolarHBondContact O-N 2.88Å; P992-S994 VanDerWaalsContact O-N 3.16Å
993G38.5Very low45.3Very low76 Ų7695 Ų9578%0.78451%0.514SS*.THydrogen-bonded Turntrans74.3-8.2-174.500000115.6
994S41.4Very low46.7Very low48 Ų48101 Ų10134%0.33653%0.533SS..SBendtrans-58.2151.4168.21780000111.8L991 P992 K996 A997 A998L991-S994 WeakPolarHBondContact O-CB 3.35Å; L991-S994 PolarHBondContact O-N 3.29Å; P992-S994 PolarHBondContact O-N 2.88Å; P992-S994 VanDerWaalsContact O-N 3.16Å; S994-K996 PolarHBondContact O-N 3.44Å; S994-K996 PolarHBondContact OG-N 3.12Å; S994-A997 WeakPolarHBondContact O-CA 3.49Å; S994-A997 WeakPolarHBondContact O-CB 3.39Å; S994-A997 PolarHBondContact O-N 2.71Å; S994-A998 PolarHBondContact O-N 2.94Å
995L47Very low48Very low118 Ų118103 Ų10362%0.61854%0.537SS*.Hα-helixtrans-55.9-38.3175.1-16396.7000111.4A997 A998 Q999L995-A997 PolarHBondContact O-N 3.4Å; L995-A998 PolarHBondContact O-N 3.3Å; L995-Q999 WeakPolarHBondContact O-CB 3.37Å; L995-Q999 WeakPolarHBondContact O-CG 3.45Å; L995-Q999 PolarHBondContact O-N 3.45Å
996K52.1Low49.6Very low79 Ų79105.7 Ų105.734%0.34355%0.545SS..Hα-helixtrans-61.2-41.6174.1-101.5174.9168.3168.50112A922 Q926 S994 R1000A922-K996 PolarHBondContact O-NZ 3.43Å; Q926-K996 VanDerWaalsContact OE1-CE 3.26Å; S994-K996 PolarHBondContact O-N 3.44Å; S994-K996 PolarHBondContact OG-N 3.12Å; K996-R1000 VanDerWaalsContact O-CB 3.23Å; K996-R1000 WeakPolarHBondContact O-CB 3.27Å; K996-R1000 PolarHBondContact O-N 3.32Å
997A48.3Very low51.2Low28 Ų28106.8 Ų106.823%0.23155%0.545CS..Hα-helixtrans-65.6-46.4176.500000111.1I990 S994 L995 R1000 E1001I990-A997 HydrophobicContact CG2-CB 4.36Å; S994-A997 WeakPolarHBondContact O-CA 3.49Å; S994-A997 WeakPolarHBondContact O-CB 3.39Å; S994-A997 PolarHBondContact O-N 2.71Å; L995-A997 PolarHBondContact O-N 3.4Å; A997-R1000 PolarHBondContact O-N 2.88Å; A997-E1001 PolarHBondContact O-N 2.89Å
998A51Low52.8Low50 Ų50108.8 Ų108.841%0.41355%0.549SS..Hα-helixtrans-65-41.917900000113.2S994 L995 E1001 Q1002S994-A998 PolarHBondContact O-N 2.94Å; L995-A998 PolarHBondContact O-N 3.3Å; A998-E1001 PolarHBondContact O-N 3.2Å; A998-Q1002 PolarHBondContact O-N 3.42Å
999Q65.1Low54.4Low102 Ų102107.4 Ų107.448%0.47754%0.541SS..Hα-helixtrans-63.6-43.7173.4-78177.9-44.100111.3L995 E1001 Q1002 E1003L995-Q999 WeakPolarHBondContact O-CB 3.37Å; L995-Q999 WeakPolarHBondContact O-CG 3.45Å; L995-Q999 PolarHBondContact O-N 3.45Å; Q999-E1001 VanDerWaalsContact C-N 3.29Å; Q999-E1001 PolarHBondContact O-N 3.43Å; Q999-Q1002 CarbonylContact O-C 3.5Å; Q999-Q1002 WeakPolarHBondContact O-CA 3.49Å; Q999-Q1002 VanDerWaalsContact O-CB 3.3Å; Q999-Q1002 WeakPolarHBondContact O-CB 3.41Å; Q999-Q1002 PolarHBondContact O-N 2.89Å; Q999-Q1002 VanDerWaalsContact O-N 3.1Å; Q999-E1003 PolarHBondContact O-N 3.35Å
1000R62.3Low56.3Low121 Ų121102.1 Ų102.146%0.45752%0.52SS..Hα-helixtrans-68.2-28.2178.7-154.6173.2-149.6173.56.8112.6I990 K996 A997 R1004I990-R1000 VanDerWaalsContact CD1-NH1 3.29Å; K996-R1000 VanDerWaalsContact O-CB 3.23Å; K996-R1000 WeakPolarHBondContact O-CB 3.27Å; K996-R1000 PolarHBondContact O-N 3.32Å; A997-R1000 PolarHBondContact O-N 2.88Å; R1000-R1004 WeakPolarHBondContact O-CB 3.3Å; R1000-R1004 VanDerWaalsContact O-CG 3.28Å; R1000-R1004 WeakPolarHBondContact O-CG 3.46Å; R1000-R1004 PolarHBondContact O-N 2.99Å
1001E60.6Low57.6Low139 Ų139101.7 Ų101.765%0.6552%0.522SS*.Hα-helixtrans-71.8-39.3168.5-170.5172.4-14000111.9A997 A998 Q999 E1003 R1004 T1005A997-E1001 PolarHBondContact O-N 2.89Å; A998-E1001 PolarHBondContact O-N 3.2Å; Q999-E1001 VanDerWaalsContact C-N 3.29Å; Q999-E1001 PolarHBondContact O-N 3.43Å; E1001-E1003 VanDerWaalsContact C-N 3.35Å; E1001-E1003 PolarHBondContact O-N 3.26Å; E1001-R1004 PolarHBondContact O-N 3.12Å; E1001-T1005 WeakPolarHBondContact O-CB 3.27Å; E1001-T1005 WeakPolarHBondContact O-CG2 3.42Å; E1001-T1005 PolarHBondContact O-N 2.76Å; E1001-T1005 PolarHBondContact O-OG1 2.96Å
1002Q66.3Low58.7Low145 Ų145101.2 Ų101.268%0.67852%0.517SS*.Hα-helixtrans-59.9-41.2169-101.6-174.4-9.900112.5A998 Q999 T1005 K1006A998-Q1002 PolarHBondContact O-N 3.42Å; Q999-Q1002 CarbonylContact O-C 3.5Å; Q999-Q1002 WeakPolarHBondContact O-CA 3.49Å; Q999-Q1002 VanDerWaalsContact O-CB 3.3Å; Q999-Q1002 WeakPolarHBondContact O-CB 3.41Å; Q999-Q1002 PolarHBondContact O-N 2.89Å; Q999-Q1002 VanDerWaalsContact O-N 3.1Å; Q1002-T1005 WeakPolarHBondContact CA-OG1 3.15Å; Q1002-T1005 PolarHBondContact O-OG1 3.02Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.49Å; Q1002-K1006 PolarHBondContact O-N 3.18Å
1003E69.1Low59.9Low122 Ų122104.1 Ų104.157%0.5752%0.524SS*.Hα-helixtrans-69.6-42.2175.2-70.7-165.9134.500112.4Q999 E1001 T1005 K1006 L1007Q999-E1003 PolarHBondContact O-N 3.35Å; E1001-E1003 VanDerWaalsContact C-N 3.35Å; E1001-E1003 PolarHBondContact O-N 3.26Å; E1003-T1005 VanDerWaalsContact C-N 3.34Å; E1003-T1005 PolarHBondContact O-N 3.48Å; E1003-K1006 PolarHBondContact O-N 3.42Å; E1003-L1007 VanDerWaalsContact O-CB 3.31Å; E1003-L1007 WeakPolarHBondContact O-CB 3.36Å; E1003-L1007 WeakPolarHBondContact O-CG 3.33Å; E1003-L1007 PolarHBondContact O-N 2.98Å
1004R61.4Low60.8Low186 Ų186107.7 Ų107.770%0.70251%0.514SS*.Hα-helixtrans-62.6-40.6175.4-80.4179.1171.2-153.1-0.7112R1000 E1001 K1008R1000-R1004 WeakPolarHBondContact O-CB 3.3Å; R1000-R1004 VanDerWaalsContact O-CG 3.28Å; R1000-R1004 WeakPolarHBondContact O-CG 3.46Å; R1000-R1004 PolarHBondContact O-N 2.99Å; E1001-R1004 PolarHBondContact O-N 3.12Å; R1004-K1008 WeakPolarHBondContact O-CB 3.37Å; R1004-K1008 PolarHBondContact O-N 3.21Å
1005T58.4Low61.3Low81 Ų81110.3 Ų110.350%0.49752%0.521SS..Hα-helixtrans-69.9-39175.250.10000111.8E1001 Q1002 E1003 K1008 K1009E1001-T1005 WeakPolarHBondContact O-CB 3.27Å; E1001-T1005 WeakPolarHBondContact O-CG2 3.42Å; E1001-T1005 PolarHBondContact O-N 2.76Å; E1001-T1005 PolarHBondContact O-OG1 2.96Å; Q1002-T1005 WeakPolarHBondContact CA-OG1 3.15Å; Q1002-T1005 PolarHBondContact O-OG1 3.02Å; E1003-T1005 VanDerWaalsContact C-N 3.34Å; E1003-T1005 PolarHBondContact O-N 3.48Å; T1005-K1008 PolarHBondContact O-N 3.26Å; T1005-K1009 WeakPolarHBondContact O-CB 3.35Å; T1005-K1009 PolarHBondContact O-N 2.99Å
1006K69.6Low61.6Low134 Ų134110 Ų11058%0.58352%0.516SS*.Hα-helixtrans-63.4-49.2172.9-171.7-179.5178-171.40112.1Q1002 E1003 K1008 K1009 D1010Q1002-K1006 WeakPolarHBondContact O-CB 3.49Å; Q1002-K1006 PolarHBondContact O-N 3.18Å; E1003-K1006 PolarHBondContact O-N 3.42Å; K1006-K1008 VanDerWaalsContact C-N 3.33Å; K1006-K1008 PolarHBondContact O-N 3.3Å; K1006-K1009 CarbonylContact O-C 3.46Å; K1006-K1009 WeakPolarHBondContact O-CA 3.4Å; K1006-K1009 WeakPolarHBondContact O-CB 3.39Å; K1006-K1009 PolarHBondContact O-N 3.24Å; K1006-D1010 VanDerWaalsContact O-CG 3.24Å; K1006-D1010 PolarHBondContact O-N 2.87Å
1007L65.1Low61.3Low110 Ų110112.8 Ų112.858%0.57653%0.53SS*.Hα-helixtrans-63.3-35.4177.1-75.5169.5000112.8E1003 S1011E1003-L1007 VanDerWaalsContact O-CB 3.31Å; E1003-L1007 WeakPolarHBondContact O-CB 3.36Å; E1003-L1007 WeakPolarHBondContact O-CG 3.33Å; E1003-L1007 PolarHBondContact O-N 2.98Å; L1007-S1011 VanDerWaalsContact O-CB 3.25Å; L1007-S1011 WeakPolarHBondContact O-CB 3.31Å; L1007-S1011 PolarHBondContact O-N 2.86Å
1008K69.6Low61.2Low142 Ų142115.4 Ų115.462%0.61754%0.544SS*.Hα-helixtrans-59-51.4167.2-99.7-169.5171.5-173.90110.7R1004 T1005 K1006 D1010 S1011 E1012R1004-K1008 WeakPolarHBondContact O-CB 3.37Å; R1004-K1008 PolarHBondContact O-N 3.21Å; T1005-K1008 PolarHBondContact O-N 3.26Å; K1006-K1008 VanDerWaalsContact C-N 3.33Å; K1006-K1008 PolarHBondContact O-N 3.3Å; K1008-D1010 PolarHBondContact O-N 3.41Å; K1008-S1011 WeakPolarHBondContact O-CB 3.03Å; K1008-S1011 PolarHBondContact O-N 3.4Å; K1008-S1011 VanDerWaalsContact O-N 3.1Å; K1008-E1012 WeakPolarHBondContact O-CB 3.36Å; K1008-E1012 WeakPolarHBondContact O-CG 3.18Å; K1008-E1012 PolarHBondContact O-N 3.13Å
1009K72.4Confident60.8Low146 Ų146119.7 Ų119.764%0.63555%0.553SS**Hα-helixtrans-59.2-46.8-179.5-146.3174.9-172.1-1790112.3T1005 K1006 S1011 E1012 E1013T1005-K1009 WeakPolarHBondContact O-CB 3.35Å; T1005-K1009 PolarHBondContact O-N 2.99Å; K1006-K1009 CarbonylContact O-C 3.46Å; K1006-K1009 WeakPolarHBondContact O-CA 3.4Å; K1006-K1009 WeakPolarHBondContact O-CB 3.39Å; K1006-K1009 PolarHBondContact O-N 3.24Å; K1009-S1011 PolarHBondContact O-N 2.79Å; K1009-E1012 PolarHBondContact O-N 3.23Å; K1009-E1013 VanDerWaalsContact O-CB 3.24Å; K1009-E1013 WeakPolarHBondContact O-CB 3.5Å; K1009-E1013 PolarHBondContact O-N 3.46Å
1010D70.6Confident59.7Low56 Ų56123 Ų12330%0.29956%0.561SS.*Hα-helixtrans-65.9-24.5177.6-62.6-2.6000112.5K1006 K1008 R1014K1006-D1010 VanDerWaalsContact O-CG 3.24Å; K1006-D1010 PolarHBondContact O-N 2.87Å; K1008-D1010 PolarHBondContact O-N 3.41Å; D1010-R1014 WeakPolarHBondContact O-CB 3.39Å; D1010-R1014 WeakPolarHBondContact O-CG 3.38Å; D1010-R1014 PolarHBondContact O-N 3.13Å; D1010-R1014 PolarHBondContact O-NE 3Å
1011S66.1Low58.5Low54 Ų54120.5 Ų120.538%0.37857%0.567SS.*Hα-helixtrans-83.9-43.6174.9-170.50000111.5L1007 K1008 K1009 R1014 Q1015L1007-S1011 VanDerWaalsContact O-CB 3.25Å; L1007-S1011 WeakPolarHBondContact O-CB 3.31Å; L1007-S1011 PolarHBondContact O-N 2.86Å; K1008-S1011 WeakPolarHBondContact O-CB 3.03Å; K1008-S1011 PolarHBondContact O-N 3.4Å; K1008-S1011 VanDerWaalsContact O-N 3.1Å; K1009-S1011 PolarHBondContact O-N 2.79Å; S1011-R1014 PolarHBondContact O-N 2.93Å; S1011-Q1015 WeakPolarHBondContact O-CG 3.28Å; S1011-Q1015 PolarHBondContact O-N 3.36Å
1012E63.8Low57.5Low115 Ų115124.3 Ų124.354%0.53758%0.575SS.*Hα-helixtrans-61.1-43173-74169.1-157.100111.1K1008 K1009 Q1015 Q1016K1008-E1012 WeakPolarHBondContact O-CB 3.36Å; K1008-E1012 WeakPolarHBondContact O-CG 3.18Å; K1008-E1012 PolarHBondContact O-N 3.13Å; K1009-E1012 PolarHBondContact O-N 3.23Å; E1012-Q1015 CarbonylContact O-C 3.58Å; E1012-Q1015 WeakPolarHBondContact O-CB 3.44Å; E1012-Q1015 PolarHBondContact O-N 3.03Å; E1012-Q1016 WeakPolarHBondContact O-CB 3.49Å; E1012-Q1016 PolarHBondContact O-N 3.29Å
1013E59.7Low55.8Low134 Ų134122.4 Ų122.463%0.62658%0.578SS**Hα-helixtrans-67.3-41.3178.6-164.7159.9-121.600111.5K1009 Q1015 Q1016 E1017K1009-E1013 VanDerWaalsContact O-CB 3.24Å; K1009-E1013 WeakPolarHBondContact O-CB 3.5Å; K1009-E1013 PolarHBondContact O-N 3.46Å; E1013-Q1015 VanDerWaalsContact C-N 3.34Å; E1013-Q1015 PolarHBondContact O-N 3.49Å; E1013-Q1016 PolarHBondContact O-N 2.92Å; E1013-Q1016 VanDerWaalsContact O-N 3.13Å; E1013-E1017 WeakPolarHBondContact O-CB 3.5Å; E1013-E1017 PolarHBondContact O-N 3.25Å
1014R56.6Low53.9Low152 Ų152120.5 Ų120.557%0.57458%0.583SS**Hα-helixtrans-62.1-37.2169.7-82.9179.7-79-172-8.2112.9D1010 S1011 T1018D1010-R1014 WeakPolarHBondContact O-CB 3.39Å; D1010-R1014 WeakPolarHBondContact O-CG 3.38Å; D1010-R1014 PolarHBondContact O-N 3.13Å; D1010-R1014 PolarHBondContact O-NE 3Å; S1011-R1014 PolarHBondContact O-N 2.93Å; R1014-T1018 WeakPolarHBondContact O-CB 3.46Å; R1014-T1018 WeakPolarHBondContact O-CG2 3.33Å; R1014-T1018 PolarHBondContact O-N 3.32Å; R1014-T1018 VanDerWaalsContact O-N 3.07Å; R1014-T1018 PolarHBondContact O-OG1 3Å
1015Q51.6Low52.5Low102 Ų102120.4 Ų120.448%0.47759%0.588SS.*Hα-helixtrans-69.8-32.8172.6-74-172.143.400112.7S1011 E1012 E1013 T1018 K1019S1011-Q1015 WeakPolarHBondContact O-CG 3.28Å; S1011-Q1015 PolarHBondContact O-N 3.36Å; E1012-Q1015 CarbonylContact O-C 3.58Å; E1012-Q1015 WeakPolarHBondContact O-CB 3.44Å; E1012-Q1015 PolarHBondContact O-N 3.03Å; E1013-Q1015 VanDerWaalsContact C-N 3.34Å; E1013-Q1015 PolarHBondContact O-N 3.49Å; Q1015-T1018 WeakPolarHBondContact CA-OG1 3.36Å; Q1015-T1018 PolarHBondContact O-OG1 3.34Å; Q1015-T1018 VanDerWaalsContact O-OG1 3.13Å; Q1015-K1019 WeakPolarHBondContact O-CB 3.31Å; Q1015-K1019 WeakPolarHBondContact O-CD 3.42Å; Q1015-K1019 WeakPolarHBondContact O-CG 3.44Å; Q1015-K1019 PolarHBondContact O-N 3.45Å
1016Q53.7Low51Low112 Ų112125.5 Ų125.552%0.52360%0.603SS.*Hα-helixtrans-80.2-34.1-179.3-145.8169.46300111.7E1012 E1013 K1019 R1020E1012-Q1016 WeakPolarHBondContact O-CB 3.49Å; E1012-Q1016 PolarHBondContact O-N 3.29Å; E1013-Q1016 PolarHBondContact O-N 2.92Å; E1013-Q1016 VanDerWaalsContact O-N 3.13Å; Q1016-K1019 PolarHBondContact O-N 2.64Å; Q1016-R1020 WeakPolarHBondContact O-CB 3.44Å; Q1016-R1020 VanDerWaalsContact O-CG 3.27Å; Q1016-R1020 WeakPolarHBondContact O-CG 3.43Å; Q1016-R1020 PolarHBondContact O-N 3.17Å
1017E45.8Very low48.8Very low137 Ų137131 Ų13164%0.6462%0.62SS**Hα-helixtrans-65.9-46.6170-174.4170.2-132.300111.4E1013 K1019 R1020 A1021E1013-E1017 WeakPolarHBondContact O-CB 3.5Å; E1013-E1017 PolarHBondContact O-N 3.25Å; E1017-K1019 VanDerWaalsContact C-N 3.28Å; E1017-K1019 PolarHBondContact O-N 3.41Å; E1017-R1020 PolarHBondContact O-N 3.05Å; E1017-R1020 VanDerWaalsContact O-N 3.15Å; E1017-A1021 WeakPolarHBondContact O-CB 3.45Å; E1017-A1021 PolarHBondContact O-N 3.19Å
1018T46.9Very low47.1Very low84 Ų84130.9 Ų130.952%0.51563%0.625SS.*Hα-helixtrans-64.7-29.9175.249.60000113.2R1014 Q1015 R1022R1014-T1018 WeakPolarHBondContact O-CB 3.46Å; R1014-T1018 WeakPolarHBondContact O-CG2 3.33Å; R1014-T1018 PolarHBondContact O-N 3.32Å; R1014-T1018 VanDerWaalsContact O-N 3.07Å; R1014-T1018 PolarHBondContact O-OG1 3Å; Q1015-T1018 WeakPolarHBondContact CA-OG1 3.36Å; Q1015-T1018 PolarHBondContact O-OG1 3.34Å; Q1015-T1018 VanDerWaalsContact O-OG1 3.13Å; T1018-R1022 WeakPolarHBondContact O-CG 2.8Å; T1018-R1022 PolarHBondContact O-N 3.5Å
1019K43.3Very low45Very low140 Ų140130.6 Ų130.661%0.60963%0.634SS**Hα-helixtrans-70.1-44.4169.2-75.8168.1-177.1171.40112.1Q1015 Q1016 E1017 A1021 R1022 S1023Q1015-K1019 WeakPolarHBondContact O-CB 3.31Å; Q1015-K1019 WeakPolarHBondContact O-CD 3.42Å; Q1015-K1019 WeakPolarHBondContact O-CG 3.44Å; Q1015-K1019 PolarHBondContact O-N 3.45Å; Q1016-K1019 PolarHBondContact O-N 2.64Å; E1017-K1019 VanDerWaalsContact C-N 3.28Å; E1017-K1019 PolarHBondContact O-N 3.41Å; K1019-A1021 PolarHBondContact O-N 2.99Å; K1019-R1022 PolarHBondContact O-N 3.14Å; K1019-S1023 PolarHBondContact O-N 3.16Å
1020R42Very low42.6Very low170 Ų170132.3 Ų132.364%0.64264%0.642SS**Hα-helixtrans-62.8-39.4175.3-75.3172.4-179.6175.34.5112.5Q1016 E1017 R1022 S1023Q1016-R1020 WeakPolarHBondContact O-CB 3.44Å; Q1016-R1020 VanDerWaalsContact O-CG 3.27Å; Q1016-R1020 WeakPolarHBondContact O-CG 3.43Å; Q1016-R1020 PolarHBondContact O-N 3.17Å; E1017-R1020 PolarHBondContact O-N 3.05Å; E1017-R1020 VanDerWaalsContact O-N 3.15Å; R1020-R1022 PolarHBondContact O-N 3.17Å; R1020-S1023 PolarHBondContact O-OG 3.19Å
1021A36.3Very low40.2Very low70 Ų70136.9 Ų136.958%0.57966%0.661SS**Hα-helixtrans-64.6-26.8176.400000113.2E1017 K1019E1017-A1021 WeakPolarHBondContact O-CB 3.45Å; E1017-A1021 PolarHBondContact O-N 3.19Å; K1019-A1021 PolarHBondContact O-N 2.99Å
1022R38.7Very low38.2Very low218 Ų218141.6 Ų141.682%0.82368%0.68SS**Hα-helixtrans-88.2-25.8-179.5-76.4-178173.5-167-0.7114.6T1018 K1019 R1020T1018-R1022 WeakPolarHBondContact O-CG 2.8Å; T1018-R1022 PolarHBondContact O-N 3.5Å; K1019-R1022 PolarHBondContact O-N 3.14Å; R1020-R1022 PolarHBondContact O-N 3.17Å
1023S31.1Very low36.2Very low105 Ų105141 Ų14173%0.73469%0.689SS**Hα-helixtrans-79.4-19.4176.762.10000113.9K1019 R1020 K1025K1019-S1023 PolarHBondContact O-N 3.16Å; R1020-S1023 PolarHBondContact O-OG 3.19Å; S1023-K1025 PolarHBondContact O-N 2.93Å
1024A30.3Very low34.6Very low83 Ų83140.6 Ų140.669%0.68670%0.698SS**THydrogen-bonded Turntrans-862.2-171.600000116
1025K30.6Very low33Very low183 Ų183140.7 Ų140.780%0.79671%0.708SS**SBendtrans-140.3130.4-174.5-114.9165.1-176.4167.40115.2S1023S1023-K1025 PolarHBondContact O-N 2.93Å
1026K27.1Very low31.6Very low188 Ų188143.1 Ų143.182%0.81772%0.72SS**  trans73.883.1173.2-64.4-168.1172.9-173.40118.3
1027R24Very low30.3Very low249 Ų249147.9 Ų147.994%0.9474%0.739SS**  trans-83.7101141.6-72.9168.962.5-177.60.8109.4
1028T28.3Very low29.2Very low109 Ų109150 Ų15067%0.66975%0.746SS**  trans-153.790.3167.2460000107
1029V25.3Very low28.1Very low135 Ų135155.2 Ų155.282%0.81876%0.761SS**  68.4123.592.4176.90000113.1
1030K22.4Very low27.2Very low182 Ų182154 Ų15479%0.79177%0.766SS**  trans-8.7151.6162.9-43.8175.2176.2-179.30117.8
1031E21.6Very low26.4Very low153 Ų153151.6 Ų151.672%0.71578%0.775SS**  -164.8152.554.9-82.5-169.4156.200115.8
1032I23.1Very low25.7Very low152 Ų152152 Ų15278%0.77979%0.786SS**  trans58.5141.9135.8-58.1167.7000121.5
1033S22.5Very low25.2Very low104 Ų104151.8 Ų151.873%0.72779%0.791SS**  trans-111.1144.3-172.855.50000115.4
1034P25Very low24.9Very low124 Ų124157.7 Ų157.781%0.80580%0.797SS**  trans-120.5101.8171.836.6-23.9000116.2
1035I23.2Very low24.7Very low154 Ų154161.3 Ų161.379%0.7981%0.805SS**  trans27.7122.1132.9-63.5160.1000121.3
1036E23Very low24.4Very low153 Ų153162.2 Ų162.272%0.71581%0.809SS**  trans23.6143.5140.8-51.1-172.2170.300124.5
1037K26.3Very low24.1Very low212 Ų212159 Ų15992%0.92281%0.81SS**  -162.2161.7128.2-104.2140.7-167.4165.80114
1038K22.9Very low24.2Very low181 Ų181152.4 Ų152.479%0.78780%0.8SS**  trans-110153.7-167.9-55.5166.3-179.4172.50112.6
1039K23.4Very low23.8Very low195 Ų195156.7 Ų156.785%0.84881%0.812SS**  trans178.6123.3134.5-104.6173.5-178.6-1740118.3
1040T23.8Very low23.6Very low115 Ų115155.1 Ų155.171%0.70681%0.807SS**  trans52.6104.8132.557.50000124.5
1041S24.6Very low23.5Very low118 Ų118156.3 Ų156.383%0.82581%0.812SS**  53.1120120.266.70000124.2
1042G23.4Very low23.6Very low78 Ų78154.1 Ų154.180%0.80481%0.813SS**  111.6104.910300000120.9
1043K27.5Very low23.8Very low215 Ų215152.3 Ų152.394%0.93581%0.811SS**  trans-162.6161.5141.4-117.3176.1-177.8-177.80111.7
1044R24.4Very low23.8Very low228 Ų228153.4 Ų153.486%0.8681%0.813SS**  trans-99.1149.3174.1-66172.6173.2158.9-3.7109.6
1045D27.3Very low23.8Very low160 Ų160156.1 Ų156.186%0.85682%0.815SS**  -173.4174.1112.7-92.4-29.7000112.3
1046K23.3Very low23.7Very low202 Ų202158.1 Ų158.188%0.87882%0.818SS**  trans-109.2123.7-160.1-55.9172.7-176.3174.90113.6
1047S21.8Very low23.9Very low120 Ų120157.4 Ų157.484%0.83982%0.819SS**  trans-173.1143.6131.9360000110.3
1048P24.5Very low23.7Very low111 Ų111153.8 Ų153.872%0.72181%0.81SS**  trans-123.5115.7-160.433.5-14.1000114.5
1049H19.8Very low23.7Very low199 Ų199152.9 Ų152.992%0.92181%0.809SS**  trans-132.660.1151.6-127.650.8000111K1051H1049-K1051 PolarHBondContact O-N 3.1Å
1050S21.9Very low23.6Very low102 Ų102149.5 Ų149.571%0.71380%0.8SS**  trans-73.6102.2175.651.60000110.9S1052S1050-S1052 PolarHBondContact O-N 3.41Å; S1050-S1052 VanDerWaalsContact O-N 3.17Å
1051K20.6Very low23.5Very low206 Ų206152 Ų15290%0.89681%0.809SS**  trans-66104.8149.7-71.9-174.9176.6-176.80107.6H1049H1049-K1051 PolarHBondContact O-N 3.1Å
1052S24.1Very low23.5Very low107 Ų107155.2 Ų155.275%0.74881%0.811SS**  trans-82.9151.7166.140.70000110.4S1050S1050-S1052 PolarHBondContact O-N 3.41Å; S1050-S1052 VanDerWaalsContact O-N 3.17Å
1053P27.4Very low23.5Very low114 Ų114156.4 Ų156.474%0.7481%0.807SS**  trans-127.1-158.5-15729.5-5.2000112.2
1054V21.9Very low23.2Very low127 Ų127153.8 Ų153.877%0.7780%0.802SS**  trans75101.6164.8-169.10000115.4
1055Q25.9Very low23.2Very low181 Ų181150.9 Ų150.985%0.84680%0.798SS**  -143.5144114.3-104.9166.741.900109.3
1056K20.3Very low22.9Very low196 Ų196148.7 Ų148.785%0.85279%0.792SS**  trans-149.869.2-179.5-163.3-179.9-173.8-178.70109.4
1057N26Very low22.9Very low138 Ų138148 Ų14874%0.73879%0.792SS**  trans-101.8112.6176.1-77.5-6000109.9
1058N22Very low22.9Very low136 Ų136151 Ų15173%0.72779%0.793SS**  29.9135.3115.6-61.4-4.1000119.6
1059Q24.5Very low22.8Very low163 Ų163152.8 Ų152.876%0.76280%0.796SS**  trans86.3101.2151.6-66.2-172.7-96.500119.8
1060D21.3Very low23Very low124 Ų124152.9 Ų152.966%0.66379%0.793SS**  75.878.3119.3-47.6-20.5000118.2E1062D1060-E1062 PolarHBondContact O-N 3.15Å
1061D21.6Very low23.2Very low166 Ų166153.4 Ų153.489%0.88879%0.792SS**  trans28.387.4131.3-63.1-24.7000118.5
1062E23.9Very low23.6Very low187 Ų187152.2 Ų152.287%0.87479%0.787SS**  trans-124.6143.4135.8-82.1-147.9142.700112.5D1060 I1064D1060-E1062 PolarHBondContact O-N 3.15Å; E1062-I1064 PolarHBondContact O-N 2.84Å
1063S22.9Very low23.7Very low103 Ų103156.9 Ų156.972%0.7279%0.788SS**  trans-26.8113.9-175.250.60000117.7Q1065S1063-Q1065 PolarHBondContact O-N 3.29Å; S1063-Q1065 VanDerWaalsContact O-N 3.11Å
1064I22.4Very low23.6Very low160 Ų160157.6 Ų157.682%0.82179%0.791SS**  trans-59.3111.4152.9-65.1167.9000107.7E1062E1062-I1064 PolarHBondContact O-N 2.84Å
1065Q23.2Very low24.5Very low167 Ų167155.2 Ų155.278%0.7878%0.78SS**  trans-66.6130.8158.6-72-169.27.800107.9S1063 Q1067S1063-Q1065 PolarHBondContact O-N 3.29Å; S1063-Q1065 VanDerWaalsContact O-N 3.11Å; Q1065-Q1067 PolarHBondContact O-N 3.25Å
1066P22.6Very low25.3Very low113 Ų113154.8 Ų154.873%0.73478%0.783SS**  trans-67.6105.2176.427.8-32.9000108.9Q1068P1066-Q1068 VanDerWaalsContact C-N 3.34Å; P1066-Q1068 PolarHBondContact O-N 3.31Å
1067Q22Very low26.9Very low188 Ų188149.9 Ų149.988%0.87976%0.763SS**  trans-58.1105.1156-75.2-173.3-16.500106.6Q1065 L1069Q1065-Q1067 PolarHBondContact O-N 3.25Å; Q1067-L1069 PolarHBondContact O-N 3.11Å
1068Q23.2Very low28Very low183 Ų183151 Ų15186%0.85576%0.762SS**  trans-62.3107166.2-75.1-159.90.600107P1066 K1070P1066-Q1068 VanDerWaalsContact C-N 3.34Å; P1066-Q1068 PolarHBondContact O-N 3.31Å; Q1068-K1070 PolarHBondContact O-N 2.8Å; Q1068-K1070 VanDerWaalsContact O-N 3.13Å
1069L22.2Very low29.7Very low149 Ų149148.7 Ų148.778%0.7874%0.743SS**  trans-55.8120.1174.9-167.976.5000107Q1067 T1071Q1067-L1069 PolarHBondContact O-N 3.11Å; L1069-T1071 PolarHBondContact O-N 3.41Å; L1069-T1071 PolarHBondContact O-OG1 3.43Å
1070K23.5Very low31.3Very low200 Ų200142.8 Ų142.887%0.8772%0.719SS**  trans-70.770.9173.3-72.4-171.7176.4-174.50109.6Q1068 K1072Q1068-K1070 PolarHBondContact O-N 2.8Å; Q1068-K1070 VanDerWaalsContact O-N 3.13Å; K1070-K1072 PolarHBondContact O-N 3.38Å
1071T25.7Very low33.4Very low113 Ų113137.8 Ų137.869%0.69369%0.691SS**  trans-61.6103.7163.5-34.60000105.8L1069 R1073L1069-T1071 PolarHBondContact O-N 3.41Å; L1069-T1071 PolarHBondContact O-OG1 3.43Å; T1071-R1073 PolarHBondContact O-N 2.91Å; T1071-R1073 VanDerWaalsContact O-N 3.08Å
1072K28.8Very low35Very low182 Ų182133.5 Ų133.579%0.79167%0.671SS**  trans-54.9118.6179.8-66.6-177.4173.7-173.10108K1070 T1074K1070-K1072 PolarHBondContact O-N 3.38Å; K1072-T1074 HydrophobicContact CB-CG2 4Å; K1072-T1074 PolarHBondContact O-N 3.06Å
1073R26.3Very low36.8Very low205 Ų205124.7 Ų124.777%0.77463%0.63SS**  trans-68.587.2168.7-75.7-166.8-178.2-171.53.2108T1071 S1075 E1077T1071-R1073 PolarHBondContact O-N 2.91Å; T1071-R1073 VanDerWaalsContact O-N 3.08Å; R1073-S1075 PolarHBondContact O-N 3.32Å; R1073-E1077 WeakPolarHBondContact CD-OE1 3.32Å; R1073-E1077 IonicContact CZ-OE1 3.18Å; R1073-E1077 IonicContact NH1-OE1 2.67Å; R1073-E1077 PolarHBondContact NH1-OE1 2.78Å
1074T26.4Very low38.4Very low128 Ų128125.3 Ų125.379%0.78562%0.618SS**  trans-98.668.1172.4560000109.1K1072K1072-T1074 HydrophobicContact CB-CG2 4Å; K1072-T1074 PolarHBondContact O-N 3.06Å
1075S40.7Very low40.1Very low77 Ų77119 Ų11954%0.53859%0.586SS.*SBendtrans-145127.6174.348.60000107R1073 E1077R1073-S1075 PolarHBondContact O-N 3.32Å; S1075-E1077 PolarHBondContact O-N 3.49Å
1076N41.8Very low41.4Very low173 Ų173113.3 Ų113.393%0.92556%0.56SS**  trans-66.9101.1171.1-75.7-2.9000107.9F1078N1076-F1078 PolarHBondContact O-N 3.06Å
1077E53.1Low42.8Very low93 Ų93111.9 Ų111.944%0.43555%0.552SS.*  trans-60126.4163.3-70.8164.9178.200106.9R1073 S1075 W1079R1073-E1077 WeakPolarHBondContact CD-OE1 3.32Å; R1073-E1077 IonicContact CZ-OE1 3.18Å; R1073-E1077 IonicContact NH1-OE1 2.67Å; R1073-E1077 PolarHBondContact NH1-OE1 2.78Å; S1075-E1077 PolarHBondContact O-N 3.49Å; E1077-W1079 PolarHBondContact O-NE1 3.03Å
1078F50.7Low44.1Very low162 Ų162105.7 Ų105.771%0.71153%0.525SS*.  trans-85.4118.4-176.6171.7-101.4000109.7N1076 P1080N1076-F1078 PolarHBondContact O-N 3.06Å; F1078-P1080 HydrophobicContact CE1-CB 3.91Å; F1078-P1080 HydrophobicContact CZ-CB 4.4Å; F1078-P1080 WeakPolarHBondContact O-CD 3.35Å
1079W57.2Low45.5Very low86 Ų86103 Ų10333%0.32652%0.516SS..  trans-104.5102.2-179.5-64.287.9000108.7K361 E1077 F1081 T1082K361-W1079 HydrophobicContact CB-CB 3.81Å; K361-W1079 HydrophobicContact CB-CD2 3.68Å; K361-W1079 HydrophobicContact CB-CE3 3.86Å; K361-W1079 HydrophobicContact CB-CG 3.62Å; K361-W1079 HydrophobicContact CD-CB 4.41Å; K361-W1079 HydrophobicContact CD-CD2 4.35Å; K361-W1079 HydrophobicContact CD-CG 3.89Å; K361-W1079 HydrophobicContact CG-CG 4.38Å; E1077-W1079 PolarHBondContact O-NE1 3.03Å; W1079-F1081 PolarHBondContact O-N 3.04Å; W1079-T1082 PolarHBondContact O-OG1 3.34Å
1080P58.8Low46.9Very low39 Ų3997.8 Ų97.825%0.25349%0.489SS..SBendtrans-63.2-23.6-176.725.9-34.2000112.4H359 W907 F1078H359-P1080 HydrophobicContact CB-CG 4.02Å; W907-P1080 HydrophobicContact CZ2-CG 4.1Å; F1078-P1080 HydrophobicContact CE1-CB 3.91Å; F1078-P1080 HydrophobicContact CZ-CB 4.4Å; F1078-P1080 WeakPolarHBondContact O-CD 3.35Å
1081F64.7Low48.3Very low20 Ų2088.9 Ų88.99%0.08845%0.452CS..EExtended strand (participates in β ladder)trans-119.9101.1176.2-52-61.5000108.7Y356 H359 I360 K361 H887 I904 W907 W1079Y356-F1081 AromaticContact CD2-CD2 3.63Å; Y356-F1081 HydrophobicContact CD2-CD2 3.63Å; Y356-F1081 AromaticContact CD2-CE2 3.72Å; Y356-F1081 HydrophobicContact CD2-CE2 3.72Å; Y356-F1081 HydrophobicContact CD2-CG 4.11Å; Y356-F1081 HydrophobicContact CD2-CZ 4.25Å; Y356-F1081 HydrophobicContact CE2-CB 4.25Å; Y356-F1081 HydrophobicContact CE2-CD1 4.14Å; Y356-F1081 AromaticContact CE2-CD2 3.81Å; Y356-F1081 HydrophobicContact CE2-CD2 3.81Å; Y356-F1081 HydrophobicContact CE2-CE1 4.49Å; Y356-F1081 HydrophobicContact CE2-CE2 4.19Å; Y356-F1081 AromaticContact CE2-CG 3.78Å; Y356-F1081 HydrophobicContact CE2-CG 3.78Å; H359-F1081 HydrophobicContact CB-CD2 4.16Å; I360-F1081 CarbonylContact C-O 3.54Å; I360-F1081 WeakPolarHBondContact CA-O 3.35Å; I360-F1081 HydrophobicContact CG1-CB 3.98Å; K361-F1081 PolarHBondContact N-O 3.37Å; H887-F1081 AromaticContact CE1-CD1 3.51Å; H887-F1081 AromaticContact CE1-CG 3.96Å; H887-F1081 AromaticContact NE2-CD1 3.88Å; I904-F1081 HydrophobicContact CB-CZ 4.34Å; I904-F1081 HydrophobicContact CG2-CE1 3.92Å; I904-F1081 HydrophobicContact CG2-CZ 4.1Å; W907-F1081 HydrophobicContact CB-CZ 4.4Å; W907-F1081 AromaticContact CD2-CE2 3.74Å; W907-F1081 HydrophobicContact CD2-CE2 3.74Å; W907-F1081 AromaticContact CD2-CZ 3.63Å; W907-F1081 HydrophobicContact CD2-CZ 3.63Å; W907-F1081 AromaticContact CE2-CE2 3.78Å; W907-F1081 AromaticContact CE3-CE2 3.74Å; W907-F1081 HydrophobicContact CE3-CE2 3.74Å; W907-F1081 AromaticContact CE3-CZ 3.78Å; W907-F1081 HydrophobicContact CE3-CZ 3.78Å; W907-F1081 HydrophobicContact CG-CE2 4.45Å; W907-F1081 AromaticContact CG-CZ 3.92Å; W907-F1081 HydrophobicContact CG-CZ 3.92Å; W907-F1081 AromaticContact CH2-CE2 3.84Å; W907-F1081 HydrophobicContact CH2-CE2 3.84Å; W907-F1081 AromaticContact CZ2-CE2 3.85Å; W907-F1081 HydrophobicContact CZ2-CE2 3.85Å; W907-F1081 AromaticContact CZ3-CE2 3.79Å; W907-F1081 HydrophobicContact CZ3-CE2 3.79Å; W907-F1081 HydrophobicContact CZ3-CZ 4.3Å; W1079-F1081 PolarHBondContact O-N 3.04Å
1082T55.6Low49.6Very low76 Ų7684.2 Ų84.247%0.46642%0.422SS..EExtended strand (participates in β ladder)trans-116.9123.2174.9-58.10000109K361 W1079K361-T1082 HydrophobicContact CB-CG2 4.5Å; K361-T1082 WeakPolarHBondContact O-CA 3.04Å; W1079-T1082 PolarHBondContact O-OG1 3.34Å
1083G60.4Low50.9Low1 Ų177.1 Ų77.11%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-140.5-178.1-175.700000113.5K361 V362 V363K361-G1083 PolarHBondContact O-N 3.49Å; V362-G1083 WeakPolarHBondContact CA-O 3.43Å; V363-G1083 PolarHBondContact N-O 3.23Å
1084Y57.1Low52.3Low117 Ų11769.4 Ų69.446%0.45937%0.368SS..EExtended strand (participates in β ladder)trans-114.1144179.1-60-87.1000110.1V363 L365 F886 I1086V363-Y1084 HydrophobicContact CB-CD1 3.99Å; V363-Y1084 HydrophobicContact CB-CE1 4.31Å; V363-Y1084 HydrophobicContact CG1-CD1 4.23Å; V363-Y1084 HydrophobicContact CG1-CE1 4.36Å; V363-Y1084 WeakPolarHBondContact O-CA 3.37Å; L365-Y1084 HydrophobicContact CD2-CD1 3.77Å; L365-Y1084 HydrophobicContact CD2-CE1 4.45Å; L365-Y1084 HydrophobicContact CG-CD1 4.46Å; F886-Y1084 HydrophobicContact CD1-CD2 4.39Å; Y1084-I1086 PolarHBondContact O-N 3.33Å
1085D57.8Low54.5Low27 Ų2763.7 Ų63.714%0.14433%0.334CS..EExtended strand (participates in β ladder)trans-78.5112.2170.2-156.8-24.8000109.8V362 V363 H364 S1087V362-D1085 HydrophobicContact CG1-CB 3.73Å; V363-D1085 PolarHBondContact O-N 3.3Å; H364-D1085 IonicContact CE1-OD2 2.8Å; H364-D1085 PolarHBondContact CE1-OD2 2.84Å; H364-D1085 WeakPolarHBondContact ND1-CB 3.19Å; H364-D1085 IonicContact ND1-OD2 2.94Å; H364-D1085 PolarHBondContact ND1-OD2 3.21Å; D1085-S1087 PolarHBondContact OD1-N 3.06Å
1086I51.9Low56.1Low48 Ų4862.1 Ų62.125%0.24632%0.318CS..  trans-116.539.8179.363164.1000111.8L365 F886 Y1084 N1088 L1090L365-I1086 HydrophobicContact CD1-CG2 4.17Å; F886-I1086 HydrophobicContact CB-CD1 3.82Å; F886-I1086 HydrophobicContact CB-CG1 4.16Å; F886-I1086 HydrophobicContact CD1-CD1 4.19Å; F886-I1086 HydrophobicContact CD1-CG2 4.31Å; F886-I1086 HydrophobicContact CD2-CD1 3.94Å; F886-I1086 HydrophobicContact CG-CD1 3.73Å; F886-I1086 HydrophobicContact CG-CG1 4.45Å; Y1084-I1086 PolarHBondContact O-N 3.33Å; I1086-N1088 VanDerWaalsContact C-N 3.3Å; I1086-N1088 PolarHBondContact O-N 2.73Å; I1086-L1090 HydrophobicContact CD1-CB 3.96Å; I1086-L1090 WeakPolarHBondContact CD1-O 3.16Å
1087S51.8Low57.8Low82 Ų8254 Ų5457%0.57328%0.275SS*.THydrogen-bonded Turntrans57.636.8167-59.90000115.1D1085D1085-S1087 PolarHBondContact OD1-N 3.06Å
1088N49.6Very low59Low58 Ų5850.2 Ų50.231%0.3126%0.259SS..THydrogen-bonded Turntrans70.640.5168-37.4-84.9000116.7Y300 T890 I1086Y300-N1088 HydrophobicContact CD2-CB 3.89Å; Y300-N1088 HydrophobicContact CE1-CB 4.26Å; Y300-N1088 HydrophobicContact CE2-CB 3.54Å; Y300-N1088 HydrophobicContact CG-CB 4.41Å; Y300-N1088 PolarHBondContact OH-O 2.94Å; T890-N1088 WeakPolarHBondContact CB-OD1 3.49Å; T890-N1088 PolarHBondContact OG1-OD1 2.98Å; I1086-N1088 VanDerWaalsContact C-N 3.3Å; I1086-N1088 PolarHBondContact O-N 2.73Å
1089L51.9Low60.4Low127 Ų12743 Ų4367%0.66523%0.227SC*.SBendtrans-118-48.9179.7-86.4145.4000116.4
1090L51.3Low61.6Low39 Ų3938.9 Ų38.920%0.20421%0.211CC..  trans-125.9128.1-178.4-82.572.8000111.9F886 I1086 I1093 I1115F886-L1090 WeakPolarHBondContact CB-O 3.1Å; I1086-L1090 HydrophobicContact CD1-CB 3.96Å; I1086-L1090 WeakPolarHBondContact CD1-O 3.16Å; L1090-I1093 HydrophobicContact CD2-CB 4.34Å; L1090-I1115 HydrophobicContact CD1-CG2 4.17Å; L1090-I1115 HydrophobicContact CD2-CG1 4.44Å; L1090-I1115 HydrophobicContact CD2-CG2 3.83Å; L1090-I1115 HydrophobicContact CG-CG2 3.85Å
1091P53Low62.7Low13 Ų1337.2 Ų37.28%0.08420%0.2CC..SBendtrans-81.2-26.6170.1-1631.7000114F886 L899 I900F886-P1091 CarbonylContact C-O 3.52Å; F886-P1091 PolarHBondContact N-O 2.97Å; F886-P1091 VanDerWaalsContact O-O 3.13Å; L899-P1091 HydrophobicContact CB-CG 4.38Å; L899-P1091 HydrophobicContact CD1-CG 3.85Å; I900-P1091 HydrophobicContact CD1-CB 4.46Å
1092H52.8Low63.5Low16 Ų1636.5 Ų36.57%0.07420%0.198CC..EExtended strand (participates in β ladder)trans-156.9166.4176.658.6-93000109.6S884 W885 P1116S884-H1092 VanDerWaalsContact O-CA 3.28Å; S884-H1092 WeakPolarHBondContact O-CA 3.45Å; S884-H1092 WeakPolarHBondContact O-CB 3.25Å; W885-H1092 HydrophobicContact CD2-CB 4.23Å; W885-H1092 HydrophobicContact CE3-CB 4.02Å; W885-H1092 HydrophobicContact CZ3-CB 4.24Å; H1092-P1116 WeakPolarHBondContact O-CD 3.22Å; H1092-P1116 VanDerWaalsContact O-CG 3.25Å; H1092-P1116 WeakPolarHBondContact O-CG 3.17Å
1093I56.4Low64.5Low32 Ų3234.2 Ų34.216%0.16418%0.183CC..EExtended strand (participates in β ladder)trans-135.6134164.4-167.1176000108.2W882 S884 F886 L1090 N1113 E1114W882-I1093 HydrophobicContact CH2-CG2 3.98Å; W882-I1093 HydrophobicContact CZ3-CG2 3.81Å; S884-I1093 PolarHBondContact N-O 3.25Å; S884-I1093 PolarHBondContact O-N 3.03Å; F886-I1093 HydrophobicContact CE2-CG2 3.85Å; L1090-I1093 HydrophobicContact CD2-CB 4.34Å; I1093-N1113 HydrophobicContact CD1-CB 4.45Å; I1093-E1114 WeakPolarHBondContact CG1-O 3.22Å
1094T55.6Low65.3Low44 Ų4435 Ų3527%0.2719%0.188SC..EExtended strand (participates in β ladder)trans-106155.2174.7350000110.1C883 E1114C883-T1094 HydrophobicContact CB-CG2 4Å; T1094-E1114 PolarHBondContact N-O 3.2Å; T1094-E1114 PolarHBondContact O-N 2.92Å
1095G71.6Confident66Low7 Ų730.9 Ų30.97%0.07218%0.18CC..EExtended strand (participates in β ladder)trans-163.4164.8171.900000113.2T881 W882 R1112T881-G1095 CarbonylContact C-O 3.57Å; T881-G1095 WeakPolarHBondContact CA-O 3.31Å; W882-G1095 VanDerWaalsContact CD1-O 3.31Å; W882-G1095 PolarHBondContact N-O 2.8Å; W882-G1095 PolarHBondContact O-N 2.8Å; W882-G1095 VanDerWaalsContact O-O 3.08Å; G1095-R1112 CarbonylContact C-O 3.54Å; G1095-R1112 WeakPolarHBondContact CA-O 3.37Å
1096E75.5Confident67Low44 Ų4429.6 Ų29.621%0.20617%0.174CC..EExtended strand (participates in β ladder)trans-135.6143175.257.8-175.7178.100109.7H879 Y880 T881 Q1111 R1112H879-E1096 IonicContact CE1-OE2 2.84Å; H879-E1096 PolarHBondContact CE1-OE2 3.41Å; Y880-E1096 WeakPolarHBondContact O-CA 3.29Å; T881-E1096 HydrophobicContact CG2-CB 4.23Å; E1096-Q1111 WeakPolarHBondContact O-CA 3.37Å; E1096-R1112 HydrophobicContact CG-CB 3.83Å; E1096-R1112 HydrophobicContact CG-CG 4.36Å; E1096-R1112 PolarHBondContact N-O 2.9Å; E1096-R1112 PolarHBondContact O-N 3.1Å; E1096-R1112 WeakPolarHBondContact OE1-CD 3.43Å; E1096-R1112 IonicContact OE1-CZ 2.95Å; E1096-R1112 IonicContact OE1-NE 3.38Å; E1096-R1112 IonicContact OE1-NH1 2.67Å; E1096-R1112 PolarHBondContact OE1-NH1 3.26Å
1097V78Confident68.4Low4 Ų427.9 Ų27.92%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-130.5128177.9-178.90000107.8Y880 K1109 T1110 Q1111Y880-V1097 HydrophobicContact CD1-CB 4.26Å; Y880-V1097 HydrophobicContact CE1-CB 3.67Å; Y880-V1097 HydrophobicContact CE1-CG1 3.87Å; Y880-V1097 HydrophobicContact CE1-CG2 4.5Å; Y880-V1097 HydrophobicContact CE2-CB 4.1Å; Y880-V1097 HydrophobicContact CE2-CG2 4.21Å; Y880-V1097 PolarHBondContact N-O 3.41Å; Y880-V1097 PolarHBondContact O-N 3.32Å; V1097-K1109 HydrophobicContact CG1-CG 4.19Å; V1097-T1110 VanDerWaalsContact CA-O 3.3Å; V1097-T1110 WeakPolarHBondContact CA-O 3.32Å; V1097-T1110 WeakPolarHBondContact CG1-O 3.4Å; V1097-Q1111 HydrophobicContact CG2-CB 4.28Å; V1097-Q1111 HydrophobicContact CG2-CG 4.13Å
1098T77.9Confident70Confident13 Ų1324 Ų248%0.0814%0.138CC..EExtended strand (participates in β ladder)trans-125124.3179.9-500000109.7N878 H879 K1109 T1110 C1696N878-T1098 CarbonylContact O-C 3.58Å; N878-T1098 WeakPolarHBondContact O-CA 3.45Å; N878-T1098 VanDerWaalsContact O-CG2 3.31Å; N878-T1098 WeakPolarHBondContact O-CG2 3.49Å; H879-T1098 HydrophobicContact CB-CG2 4.11Å; H879-T1098 PolarHBondContact ND1-OG1 3.27Å; T1098-K1109 CarbonylContact O-C 3.51Å; T1098-K1109 WeakPolarHBondContact O-CA 3.4Å; T1098-T1110 WeakPolarHBondContact CB-OG1 3.33Å; T1098-T1110 PolarHBondContact N-O 3.18Å; T1098-T1110 PolarHBondContact O-N 3.01Å; T1098-C1696 HydrophobicContact CG2-CB 3.7Å
1099H79.6Confident71.6Confident10 Ų1023.2 Ų23.25%0.04613%0.132CC..EExtended strand (participates in β ladder)trans-104.6141.5172.3-66.5-110.3000110.3S877 N878 F1101 I1108S877-H1099 CarbonylContact C-O 3.38Å; S877-H1099 VanDerWaalsContact CA-O 3.23Å; S877-H1099 WeakPolarHBondContact CA-O 3.37Å; N878-H1099 PolarHBondContact N-O 3.06Å; N878-H1099 PolarHBondContact O-N 3.08Å; N878-H1099 VanDerWaalsContact O-O 3.11Å; H1099-F1101 HydrophobicContact CB-CE1 3.97Å; H1099-F1101 HydrophobicContact CB-CE2 3.97Å; H1099-F1101 HydrophobicContact CB-CZ 3.35Å; H1099-I1108 CarbonylContact C-O 3.51Å; H1099-I1108 VanDerWaalsContact CA-O 3.25Å; H1099-I1108 WeakPolarHBondContact CA-O 3.25Å
1100M82.5Confident73.3Confident0 Ų017.3 Ų17.30%010%0.101CC..EExtended strand (participates in β ladder)trans-129.9143174.2-58.5-173-72.600110.9P1102 T1107 I1108 Y1688 V1690 C1696 V1698M1100-P1102 VanDerWaalsContact C-CD 3.46Å; M1100-P1102 VanDerWaalsContact O-CD 3.29Å; M1100-P1102 WeakPolarHBondContact O-CD 3.43Å; M1100-T1107 WeakPolarHBondContact O-CA 3.24Å; M1100-I1108 HydrophobicContact CB-CB 4.32Å; M1100-I1108 HydrophobicContact CE-CB 4.12Å; M1100-I1108 HydrophobicContact CE-CD1 4.06Å; M1100-I1108 HydrophobicContact CE-CG2 3.8Å; M1100-I1108 PolarHBondContact N-O 3.43Å; M1100-I1108 PolarHBondContact O-N 3.43Å; M1100-Y1688 HydrophobicContact CB-CD1 3.87Å; M1100-Y1688 HydrophobicContact CB-CE1 4.34Å; M1100-Y1688 HydrophobicContact CG-CD1 4.44Å; M1100-Y1688 HydrophobicContact SD-CD1 4.03Å; M1100-V1690 HydrophobicContact CE-CG2 3.54Å; M1100-C1696 HydrophobicContact CE-CB 4.1Å; M1100-C1696 HydrophobicContact CG-CB 4.41Å; M1100-C1696 HydrophobicContact SD-CB 3.68Å; M1100-V1698 HydrophobicContact CG-CG2 4.13Å; M1100-V1698 HydrophobicContact SD-CG2 3.44Å; M1100-V1698 WeakPolarHBondContact SD-CG2 3.44Å
1101F81.2Confident74.5Confident4 Ų417.1 Ų17.12%0.01810%0.099CC..  trans-125.876.7-167.2-50.9-69.3000113.2H869 I875 R876 N878 H1099 T1107 Y1688H869-F1101 AromaticContact CE1-CE1 3.61Å; H869-F1101 AromaticContact CE1-CE2 3.75Å; H869-F1101 AromaticContact CE1-CZ 3.22Å; H869-F1101 WeakPolarHBondContact CE1-CZ 3.26Å; H869-F1101 AromaticContact NE2-CE1 3.24Å; H869-F1101 WeakPolarHBondContact NE2-CE1 3.49Å; H869-F1101 AromaticContact NE2-CZ 3.14Å; H869-F1101 WeakPolarHBondContact NE2-CZ 3.31Å; I875-F1101 WeakPolarHBondContact O-CD2 3.5Å; R876-F1101 WeakPolarHBondContact CD-O 3.43Å; R876-F1101 PolarHBondContact NH1-O 3.43Å; R876-F1101 PolarHBondContact O-N 2.94Å; N878-F1101 HydrophobicContact CB-CE2 4.25Å; H1099-F1101 HydrophobicContact CB-CE1 3.97Å; H1099-F1101 HydrophobicContact CB-CE2 3.97Å; H1099-F1101 HydrophobicContact CB-CZ 3.35Å; F1101-T1107 HydrophobicContact CD1-CG2 4.09Å; F1101-T1107 HydrophobicContact CE1-CG2 3.77Å; F1101-Y1688 PolarHBondContact O-OH 2.93Å
1102P83Confident75.9Confident5 Ų519.1 Ų19.13%0.03211%0.105CC..  trans-41.4143.2162.7-33.137.7000114.6M1100 D1104 G1105 G1106 I1108 Y1667 D1682 Y1688M1100-P1102 VanDerWaalsContact C-CD 3.46Å; M1100-P1102 VanDerWaalsContact O-CD 3.29Å; M1100-P1102 WeakPolarHBondContact O-CD 3.43Å; P1102-D1104 WeakPolarHBondContact CB-OD1 3.46Å; P1102-D1104 PolarHBondContact O-N 3.19Å; P1102-G1105 PolarHBondContact O-N 2.66Å; P1102-G1106 WeakPolarHBondContact CD-O 3.46Å; P1102-I1108 HydrophobicContact CG-CD1 4.16Å; P1102-Y1667 HydrophobicContact CG-CE1 4.29Å; P1102-D1682 HydrophobicContact CB-CB 4.14Å; P1102-Y1688 HydrophobicContact CB-CE2 4.07Å; P1102-Y1688 HydrophobicContact CG-CD2 3.93Å; P1102-Y1688 HydrophobicContact CG-CE2 3.85Å; P1102-Y1688 HydrophobicContact CG-CG 4.38Å
1103T76.3Confident76.6Confident27 Ų2719.9 Ų19.917%0.16611%0.11CC..THydrogen-bonded Turntrans-71.2-12.9-176.155.50000115.5R876 G1105 D1682 H1684R876-T1103 VanDerWaalsContact CZ-CG2 3.5Å; T1103-G1105 PolarHBondContact O-N 3.43Å; T1103-D1682 WeakPolarHBondContact CG2-OD2 3.38Å; T1103-D1682 PolarHBondContact N-OD2 3Å; T1103-D1682 PolarHBondContact OG1-OD1 2.97Å; T1103-D1682 PolarHBondContact OG1-OD2 3.2Å; T1103-H1684 VanDerWaalsContact CB-ND1 3.26Å; T1103-H1684 WeakPolarHBondContact CB-ND1 3.24Å; T1103-H1684 HydrophobicContact CG2-CB 4.2Å; T1103-H1684 WeakPolarHBondContact CG2-ND1 3.39Å; T1103-H1684 PolarHBondContact OG1-ND1 2.94Å
1104D76.4Confident77.1Confident19 Ų1921.6 Ų21.610%0.10212%0.117CC..THydrogen-bonded Turntrans-82.93.5176.772-24.3000113.5P1102 G1106 K1128 T1665 Y1667 P1683P1102-D1104 WeakPolarHBondContact CB-OD1 3.46Å; P1102-D1104 PolarHBondContact O-N 3.19Å; D1104-G1106 PolarHBondContact OD1-N 3.22Å; D1104-K1128 WeakPolarHBondContact O-CE 3.49Å; D1104-K1128 WeakPolarHBondContact OD2-CE 3.39Å; D1104-T1665 WeakPolarHBondContact CB-OG1 3.42Å; D1104-T1665 WeakPolarHBondContact OD2-CB 3.49Å; D1104-T1665 PolarHBondContact OD2-OG1 2.82Å; D1104-Y1667 PolarHBondContact OD1-OH 3.12Å; D1104-Y1667 PolarHBondContact OD2-OH 3.08Å; D1104-P1683 HydrophobicContact CB-CG 4.44Å
1105G71.4Confident77.4Confident29 Ų2922 Ų2230%0.29912%0.117SC..SBendtrans95.5-5.117700000115.2P1102 T1103P1102-G1105 PolarHBondContact O-N 2.66Å; T1103-G1105 PolarHBondContact O-N 3.43Å
1106G79.8Confident76.5Confident1 Ų123.5 Ų23.51%0.0113%0.126CC..  trans-66.6159.1174.100000113.5P1102 D1104 I1127P1102-G1106 WeakPolarHBondContact CD-O 3.46Å; D1104-G1106 PolarHBondContact OD1-N 3.22Å; G1106-I1127 WeakPolarHBondContact CA-O 3.48Å
1107T80.4Confident75.3Confident12 Ų1225.4 Ų25.47%0.07414%0.14CC..EExtended strand (participates in β ladder)trans-132.2128.2173.1-63.90000109.8M1100 F1101 I1127M1100-T1107 WeakPolarHBondContact O-CA 3.24Å; F1101-T1107 HydrophobicContact CD1-CG2 4.09Å; F1101-T1107 HydrophobicContact CE1-CG2 3.77Å; T1107-I1127 HydrophobicContact CG2-CD1 4.43Å; T1107-I1127 PolarHBondContact N-O 2.83Å; T1107-I1127 PolarHBondContact O-N 2.98Å
1108I85.7Confident74.1Confident0 Ų026.5 Ų26.50%015%0.152CC..EExtended strand (participates in β ladder)trans-105.5128.7172.3-58.8154.7000107.1H1099 M1100 P1102 S1125 L1126 Y1667 L1678 V1690H1099-I1108 CarbonylContact C-O 3.51Å; H1099-I1108 VanDerWaalsContact CA-O 3.25Å; H1099-I1108 WeakPolarHBondContact CA-O 3.25Å; M1100-I1108 HydrophobicContact CB-CB 4.32Å; M1100-I1108 HydrophobicContact CE-CB 4.12Å; M1100-I1108 HydrophobicContact CE-CD1 4.06Å; M1100-I1108 HydrophobicContact CE-CG2 3.8Å; M1100-I1108 PolarHBondContact N-O 3.43Å; M1100-I1108 PolarHBondContact O-N 3.43Å; P1102-I1108 HydrophobicContact CG-CD1 4.16Å; I1108-S1125 CarbonylContact C-O 3.59Å; I1108-S1125 WeakPolarHBondContact CA-O 3.14Å; I1108-L1126 HydrophobicContact CG1-CD1 3.98Å; I1108-Y1667 HydrophobicContact CD1-CE1 4.36Å; I1108-Y1667 HydrophobicContact CG1-CE1 4.48Å; I1108-L1678 HydrophobicContact CD1-CD2 3.66Å; I1108-L1678 HydrophobicContact CG1-CD1 4.48Å; I1108-L1678 HydrophobicContact CG1-CD2 4.16Å; I1108-L1678 HydrophobicContact CG2-CD1 4.24Å; I1108-L1678 HydrophobicContact CG2-CD2 4.38Å; I1108-V1690 HydrophobicContact CG2-CG2 4.2Å
1109K84.5Confident72.9Confident41 Ų4130.1 Ų30.118%0.17817%0.168CC..EExtended strand (participates in β ladder)trans-118.4120.2174.9178.5-173.5177.9-173.10108.6V1097 T1098 S1125V1097-K1109 HydrophobicContact CG1-CG 4.19Å; T1098-K1109 CarbonylContact O-C 3.51Å; T1098-K1109 WeakPolarHBondContact O-CA 3.4Å; K1109-S1125 PolarHBondContact N-O 3.15Å; K1109-S1125 PolarHBondContact O-N 2.91Å
1110T85.6Confident72Confident4 Ų430.3 Ų30.33%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-101.7145.516369.90000110V1097 T1098 R1123 V1124 V1690 A1694 C1696V1097-T1110 VanDerWaalsContact CA-O 3.3Å; V1097-T1110 WeakPolarHBondContact CA-O 3.32Å; V1097-T1110 WeakPolarHBondContact CG1-O 3.4Å; T1098-T1110 WeakPolarHBondContact CB-OG1 3.33Å; T1098-T1110 PolarHBondContact N-O 3.18Å; T1098-T1110 PolarHBondContact O-N 3.01Å; T1110-R1123 CarbonylContact C-O 3.57Å; T1110-R1123 WeakPolarHBondContact CA-O 3.43Å; T1110-V1124 HydrophobicContact CG2-CG1 4.29Å; T1110-V1124 HydrophobicContact CG2-CG2 4.15Å; T1110-V1690 HydrophobicContact CG2-CB 4.47Å; T1110-V1690 HydrophobicContact CG2-CG1 3.66Å; T1110-V1690 HydrophobicContact CG2-CG2 3.9Å; T1110-A1694 HydrophobicContact CG2-CB 4.46Å; T1110-A1694 PolarHBondContact OG1-O 3.26Å; T1110-C1696 WeakPolarHBondContact CG2-SG 3.39Å; T1110-C1696 PolarHBondContact OG1-SG 2.91Å; T1110-C1696 VanDerWaalsContact OG1-SG 3.37Å
1111Q78.4Confident71.1Confident34 Ų3431.9 Ų31.916%0.15918%0.18CC..EExtended strand (participates in β ladder)trans-136.8133.7172.2172.1173.81.700108.8E1096 V1097 N1113 R1123E1096-Q1111 WeakPolarHBondContact O-CA 3.37Å; V1097-Q1111 HydrophobicContact CG2-CB 4.28Å; V1097-Q1111 HydrophobicContact CG2-CG 4.13Å; Q1111-N1113 WeakPolarHBondContact CG-OD1 3.44Å; Q1111-N1113 PolarHBondContact NE2-ND2 2.92Å; Q1111-N1113 PolarHBondContact NE2-OD1 3.06Å; Q1111-R1123 HydrophobicContact CB-CB 4.4Å; Q1111-R1123 PolarHBondContact N-O 3.24Å; Q1111-R1123 PolarHBondContact O-N 2.8Å
1112R81.2Confident70.8Confident56 Ų5631.9 Ų31.921%0.21118%0.18CC..EExtended strand (participates in β ladder)trans-125.5130.3171.2170.8-168.8-171.5162.60.9108.1G1095 E1096 E1114 N1121 L1122G1095-R1112 CarbonylContact C-O 3.54Å; G1095-R1112 WeakPolarHBondContact CA-O 3.37Å; E1096-R1112 HydrophobicContact CG-CB 3.83Å; E1096-R1112 HydrophobicContact CG-CG 4.36Å; E1096-R1112 PolarHBondContact N-O 2.9Å; E1096-R1112 PolarHBondContact O-N 3.1Å; E1096-R1112 WeakPolarHBondContact OE1-CD 3.43Å; E1096-R1112 IonicContact OE1-CZ 2.95Å; E1096-R1112 IonicContact OE1-NE 3.38Å; E1096-R1112 IonicContact OE1-NH1 2.67Å; E1096-R1112 PolarHBondContact OE1-NH1 3.26Å; R1112-E1114 HydrophobicContact CG-CG 4.09Å; R1112-E1114 IonicContact CZ-OE1 3.36Å; R1112-E1114 IonicContact NE-OE1 3.21Å; R1112-E1114 PolarHBondContact NE-OE1 3.08Å; R1112-E1114 IonicContact NH2-OE1 2.85Å; R1112-E1114 PolarHBondContact NH2-OE1 2.97Å; R1112-N1121 WeakPolarHBondContact CA-O 3.49Å; R1112-L1122 HydrophobicContact CB-CD2 3.79Å; R1112-L1122 HydrophobicContact CG-CD2 3.69Å
1113N67Low70.5Confident31 Ų3133.7 Ų33.717%0.16619%0.186CC..EExtended strand (participates in β ladder)trans-118.7131.2172.5-51-37.9000107.8I1093 Q1111 A1120 N1121I1093-N1113 HydrophobicContact CD1-CB 4.45Å; Q1111-N1113 WeakPolarHBondContact CG-OD1 3.44Å; Q1111-N1113 PolarHBondContact NE2-ND2 2.92Å; Q1111-N1113 PolarHBondContact NE2-OD1 3.06Å; N1113-A1120 CarbonylContact O-C 3.56Å; N1113-A1120 VanDerWaalsContact O-CA 3.29Å; N1113-A1120 WeakPolarHBondContact O-CA 3.34Å; N1113-N1121 PolarHBondContact N-O 2.87Å; N1113-N1121 PolarHBondContact O-N 2.83Å
1114E67.6Low70.8Confident68 Ų6832.7 Ų32.732%0.31818%0.18SC..EExtended strand (participates in β ladder)trans-119.4130.6-178.5-61.8-172.9141.400110.8I1093 T1094 R1112 A1120I1093-E1114 WeakPolarHBondContact CG1-O 3.22Å; T1094-E1114 PolarHBondContact N-O 3.2Å; T1094-E1114 PolarHBondContact O-N 2.92Å; R1112-E1114 HydrophobicContact CG-CG 4.09Å; R1112-E1114 IonicContact CZ-OE1 3.36Å; R1112-E1114 IonicContact NE-OE1 3.21Å; R1112-E1114 PolarHBondContact NE-OE1 3.08Å; R1112-E1114 IonicContact NH2-OE1 2.85Å; R1112-E1114 PolarHBondContact NH2-OE1 2.97Å; E1114-A1120 HydrophobicContact CG-CB 4.3Å
1115I61Low71.1Confident54 Ų5432.2 Ų32.228%0.27718%0.178SC..  trans-102.7138.9-179.9-55.8179.2000108.7L1090 T1117 G1118 Q1119L1090-I1115 HydrophobicContact CD1-CG2 4.17Å; L1090-I1115 HydrophobicContact CD2-CG1 4.44Å; L1090-I1115 HydrophobicContact CD2-CG2 3.83Å; L1090-I1115 HydrophobicContact CG-CG2 3.85Å; I1115-T1117 HydrophobicContact CG2-CG2 4.28Å; I1115-T1117 VanDerWaalsContact CG2-OG1 3.24Å; I1115-T1117 WeakPolarHBondContact CG2-OG1 3.33Å; I1115-T1117 PolarHBondContact O-N 3.28Å; I1115-G1118 WeakPolarHBondContact O-CA 3.47Å; I1115-G1118 PolarHBondContact O-N 2.68Å; I1115-Q1119 HydrophobicContact CD1-CB 4.49Å; I1115-Q1119 PolarHBondContact N-O 3.06Å
1116P52.8Low71.8Confident38 Ų3830.9 Ų30.925%0.24716%0.164CC..THydrogen-bonded Turntrans-63.3-10.1-178.4-25.136.1000115.7L899 H1092 G1118L899-P1116 HydrophobicContact CD2-CB 4.26Å; H1092-P1116 WeakPolarHBondContact O-CD 3.22Å; H1092-P1116 VanDerWaalsContact O-CG 3.25Å; H1092-P1116 WeakPolarHBondContact O-CG 3.17Å; P1116-G1118 PolarHBondContact O-N 3.2Å
1117T51.6Low71.8Confident83 Ų8332 Ų3251%0.50917%0.17SC..THydrogen-bonded Turntrans-72-13.8168.455.10000112.9I1115 Q1119 P1141I1115-T1117 HydrophobicContact CG2-CG2 4.28Å; I1115-T1117 VanDerWaalsContact CG2-OG1 3.24Å; I1115-T1117 WeakPolarHBondContact CG2-OG1 3.33Å; I1115-T1117 PolarHBondContact O-N 3.28Å; T1117-Q1119 PolarHBondContact OG1-OE1 2.8Å; T1117-P1141 VanDerWaalsContact O-CB 3.31Å; T1117-P1141 WeakPolarHBondContact O-CB 3.39Å
1118G51.1Low71.8Confident27 Ų2731.8 Ų31.828%0.27817%0.168SC..SBendtrans109.6-16.6179.100000114.5I1115 P1116 P1142I1115-G1118 WeakPolarHBondContact O-CA 3.47Å; I1115-G1118 PolarHBondContact O-N 2.68Å; P1116-G1118 PolarHBondContact O-N 3.2Å; G1118-P1142 VanDerWaalsContact O-CD 3.28Å; G1118-P1142 WeakPolarHBondContact O-CD 3.39Å
1119Q54.2Low71.1Confident89 Ų8934.1 Ų34.142%0.41618%0.18SC..  trans-69.4140-178.4-69.3164.6-69.700111.5I1115 T1117I1115-Q1119 HydrophobicContact CD1-CB 4.49Å; I1115-Q1119 PolarHBondContact N-O 3.06Å; T1117-Q1119 PolarHBondContact OG1-OE1 2.8Å
1120A59.7Low70.3Confident15 Ų1534.5 Ų34.512%0.12420%0.196CC..EExtended strand (participates in β ladder)trans-124.6137173.800000111.3N1113 E1114 D1139N1113-A1120 CarbonylContact O-C 3.56Å; N1113-A1120 VanDerWaalsContact O-CA 3.29Å; N1113-A1120 WeakPolarHBondContact O-CA 3.34Å; E1114-A1120 HydrophobicContact CG-CB 4.3Å; A1120-D1139 HydrophobicContact CB-CB 4.32Å; A1120-D1139 PolarHBondContact N-O 3.03Å; A1120-D1139 PolarHBondContact O-N 3.2Å
1121N64.8Low69.7Low33 Ų3334.6 Ų34.618%0.17620%0.196CC..EExtended strand (participates in β ladder)trans-108.2127.3173.2-176.1-77.9000108.8R1112 N1113R1112-N1121 WeakPolarHBondContact CA-O 3.49Å; N1113-N1121 PolarHBondContact N-O 2.87Å; N1113-N1121 PolarHBondContact O-N 2.83Å
1122L75.1Confident69.3Low3 Ų333.9 Ų33.92%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-118.6127.6-174.6-61.7171.8000109.5R1112 K1137 A1694R1112-L1122 HydrophobicContact CB-CD2 3.79Å; R1112-L1122 HydrophobicContact CG-CD2 3.69Å; L1122-K1137 HydrophobicContact CB-CB 4.22Å; L1122-K1137 HydrophobicContact CD1-CD 3.95Å; L1122-K1137 HydrophobicContact CD1-CG 4.3Å; L1122-K1137 PolarHBondContact N-O 2.79Å; L1122-K1137 PolarHBondContact O-N 3.02Å; L1122-K1137 VanDerWaalsContact O-O 3.13Å; L1122-A1694 HydrophobicContact CD2-CB 4.04Å
1123R76.8Confident69.2Low44 Ų4431.4 Ų31.417%0.16619%0.185CC..EExtended strand (participates in β ladder)trans-132.1127.1179.9-172.8-178.5-174.6-162.4-0.1109.7E437 T1110 Q1111 T1134 I1135E437-R1123 IonicContact OE1-NH1 2.72Å; E437-R1123 IonicContact OE2-NH1 2.72Å; T1110-R1123 CarbonylContact C-O 3.57Å; T1110-R1123 WeakPolarHBondContact CA-O 3.43Å; Q1111-R1123 HydrophobicContact CB-CB 4.4Å; Q1111-R1123 PolarHBondContact N-O 3.24Å; Q1111-R1123 PolarHBondContact O-N 2.8Å; R1123-T1134 HydrophobicContact CG-CG2 3.74Å; R1123-I1135 WeakPolarHBondContact CA-O 3.42Å
1124V82.2Confident69.6Low5 Ų530.2 Ų30.23%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-122.8118177.3-179.10000108.3T1110 T1134 I1135 L1677 L1678 V1690 A1694T1110-V1124 HydrophobicContact CG2-CG1 4.29Å; T1110-V1124 HydrophobicContact CG2-CG2 4.15Å; V1124-T1134 CarbonylContact O-C 3.54Å; V1124-T1134 WeakPolarHBondContact O-CA 3.32Å; V1124-I1135 HydrophobicContact CB-CB 4.5Å; V1124-I1135 PolarHBondContact N-O 2.99Å; V1124-I1135 PolarHBondContact O-N 2.9Å; V1124-L1677 HydrophobicContact CG2-CD1 4.29Å; V1124-L1678 HydrophobicContact CG1-CB 4.35Å; V1124-L1678 HydrophobicContact CG1-CD1 4.18Å; V1124-V1690 HydrophobicContact CG1-CG1 4.33Å; V1124-V1690 HydrophobicContact CG2-CG1 3.98Å; V1124-A1694 HydrophobicContact CG2-CB 4.23Å
1125S82.6Confident69.9Low9 Ų927.2 Ų27.26%0.06317%0.165CC..EExtended strand (participates in β ladder)trans-119.4133.7179.8-62.30000111.6I1108 K1109 F1133 T1134I1108-S1125 CarbonylContact C-O 3.59Å; I1108-S1125 WeakPolarHBondContact CA-O 3.14Å; K1109-S1125 PolarHBondContact N-O 3.15Å; K1109-S1125 PolarHBondContact O-N 2.91Å; S1125-F1133 CarbonylContact C-O 3.56Å; S1125-F1133 VanDerWaalsContact CA-O 3.23Å; S1125-F1133 WeakPolarHBondContact CA-O 3.43Å; S1125-T1134 WeakPolarHBondContact OG-CG2 3.31Å; S1125-T1134 PolarHBondContact OG-OG1 2.84Å
1126L85.5Confident70.2Confident1 Ų126.5 Ų26.51%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-106.9131.7168.7169.964.3000109.3I1108 V1132 F1133 Y1667 M1669 L1678I1108-L1126 HydrophobicContact CG1-CD1 3.98Å; L1126-V1132 WeakPolarHBondContact O-CA 3.33Å; L1126-F1133 HydrophobicContact CB-CB 4.31Å; L1126-F1133 HydrophobicContact CB-CD2 4.24Å; L1126-F1133 HydrophobicContact CD2-CD2 3.92Å; L1126-F1133 HydrophobicContact CD2-CE2 4.42Å; L1126-F1133 HydrophobicContact CG-CD2 4.01Å; L1126-F1133 PolarHBondContact N-O 3.41Å; L1126-F1133 PolarHBondContact O-N 3.18Å; L1126-Y1667 HydrophobicContact CD1-CD1 3.49Å; L1126-Y1667 VanDerWaalsContact CD1-CD1 3.49Å; L1126-Y1667 HydrophobicContact CD1-CE1 3.42Å; L1126-Y1667 VanDerWaalsContact CD1-CE1 3.42Å; L1126-Y1667 HydrophobicContact CD1-CG 4.12Å; L1126-Y1667 HydrophobicContact CD2-CD1 3.72Å; L1126-Y1667 HydrophobicContact CD2-CD2 4.24Å; L1126-Y1667 HydrophobicContact CD2-CE1 4.43Å; L1126-Y1667 HydrophobicContact CD2-CG 3.59Å; L1126-Y1667 HydrophobicContact CG-CD1 4.27Å; L1126-M1669 HydrophobicContact CB-SD 4.47Å; L1126-M1669 HydrophobicContact CD2-CE 4.35Å; L1126-M1669 HydrophobicContact CD2-SD 4.33Å; L1126-L1678 HydrophobicContact CB-CD1 4.18Å
1127I80.8Confident70.9Confident24 Ų2426.3 Ų26.312%0.12316%0.155CC..EExtended strand (participates in β ladder)trans-121.5114.6178.4-54.9160.5000107.6Y847 G1106 T1107 H1131 V1132Y847-I1127 HydrophobicContact CD1-CD1 3.83Å; Y847-I1127 HydrophobicContact CD1-CG1 4.17Å; G1106-I1127 WeakPolarHBondContact CA-O 3.48Å; T1107-I1127 HydrophobicContact CG2-CD1 4.43Å; T1107-I1127 PolarHBondContact N-O 2.83Å; T1107-I1127 PolarHBondContact O-N 2.98Å; I1127-H1131 WeakPolarHBondContact CA-O 3.39Å; I1127-V1132 HydrophobicContact CG1-CG1 4.43Å; I1127-V1132 HydrophobicContact CG1-CG2 4.38Å
1128K79.6Confident71Confident9 Ų927.2 Ų27.24%0.03916%0.156CC..EExtended strand (participates in β ladder)trans-153.4136.2178.8-175.166.5173.766.20109.8D1104 G1130 H1131 Y1651 S1653 Y1667D1104-K1128 WeakPolarHBondContact O-CE 3.49Å; D1104-K1128 WeakPolarHBondContact OD2-CE 3.39Å; K1128-G1130 PolarHBondContact O-N 3.3Å; K1128-G1130 VanDerWaalsContact O-N 3.09Å; K1128-H1131 PolarHBondContact N-O 3.32Å; K1128-H1131 WeakPolarHBondContact O-CA 3.36Å; K1128-H1131 WeakPolarHBondContact O-CB 3.41Å; K1128-H1131 PolarHBondContact O-N 3.23Å; K1128-Y1651 HydrophobicContact CB-CD1 4.48Å; K1128-Y1651 HydrophobicContact CB-CE1 3.97Å; K1128-Y1651 HydrophobicContact CG-CD1 4.46Å; K1128-Y1651 HydrophobicContact CG-CE1 3.78Å; K1128-S1653 PolarHBondContact NZ-OG 2.82Å; K1128-Y1667 HydrophobicContact CD-CE2 4.42Å; K1128-Y1667 HydrophobicContact CG-CE2 4.25Å
1129D71.9Confident71.3Confident49 Ų4928.1 Ų28.126%0.26216%0.155SC..THydrogen-bonded Turntrans53.531177.6-53.3-30000114.4H1131 Y1651 S1653D1129-H1131 PolarHBondContact O-CD2 3.06Å; D1129-H1131 PolarHBondContact O-N 3.06Å; D1129-Y1651 PolarHBondContact OD2-OH 3.18Å; D1129-S1653 WeakPolarHBondContact OD2-CB 3.48Å; D1129-S1653 PolarHBondContact OD2-OG 2.82Å
1130G66.3Low70.4Confident49 Ų4926 Ų2651%0.50516%0.157SC..THydrogen-bonded Turntrans77.8-8-175.600000114.9K1128K1128-G1130 PolarHBondContact O-N 3.3Å; K1128-G1130 VanDerWaalsContact O-N 3.09Å
1131H72.6Confident69.2Low5 Ų529 Ų292%0.02318%0.175CC..EExtended strand (participates in β ladder)trans-77.2143.4170.5-60.3-91.6000110.5I1127 K1128 D1129 F1133 L1217 S1218 H1635I1127-H1131 WeakPolarHBondContact CA-O 3.39Å; K1128-H1131 PolarHBondContact N-O 3.32Å; K1128-H1131 WeakPolarHBondContact O-CA 3.36Å; K1128-H1131 WeakPolarHBondContact O-CB 3.41Å; K1128-H1131 PolarHBondContact O-N 3.23Å; D1129-H1131 PolarHBondContact O-CD2 3.06Å; D1129-H1131 PolarHBondContact O-N 3.06Å; H1131-F1133 HydrophobicContact CB-CD2 4.46Å; H1131-F1133 HydrophobicContact CB-CE2 3.63Å; H1131-F1133 HydrophobicContact CB-CZ 3.79Å; H1131-L1217 HydrophobicContact CB-CD1 4.31Å; H1131-S1218 WeakPolarHBondContact CA-O 3.19Å; H1131-H1635 AromaticContact CE1-CD2 3.75Å; H1131-H1635 AromaticContact CE1-CE1 3.5Å; H1131-H1635 PolarHBondContact CE1-CE1 2.96Å; H1131-H1635 VanDerWaalsContact CE1-CE1 3.5Å; H1131-H1635 AromaticContact CE1-CG 3.62Å; H1131-H1635 AromaticContact CE1-ND1 3.45Å; H1131-H1635 PolarHBondContact CE1-ND1 2.93Å; H1131-H1635 AromaticContact CE1-NE2 3.69Å; H1131-H1635 AromaticContact NE2-CE1 3.65Å; H1131-H1635 AromaticContact NE2-CG 3.87Å; H1131-H1635 AromaticContact NE2-ND1 3.36Å; H1131-H1635 PolarHBondContact NE2-ND1 2.6Å
1132V71Confident67.8Low20 Ų2032.1 Ų32.112%0.12120%0.197CC..EExtended strand (participates in β ladder)trans-122116.5172.5-174.80000108.7Y847 L1126 I1127 S1218Y847-V1132 HydrophobicContact CD1-CG2 3.89Å; Y847-V1132 HydrophobicContact CE1-CG1 4.23Å; Y847-V1132 HydrophobicContact CE1-CG2 3.98Å; L1126-V1132 WeakPolarHBondContact O-CA 3.33Å; I1127-V1132 HydrophobicContact CG1-CG1 4.43Å; I1127-V1132 HydrophobicContact CG1-CG2 4.38Å; V1132-S1218 PolarHBondContact N-O 3.27Å; V1132-S1218 PolarHBondContact O-N 3.15Å
1133F79Confident65.6Low3 Ų337.8 Ų37.81%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-104132.8173-47.6-97000107.6S1125 L1126 H1131 H1216 L1217 L1641 Y1651 M1669S1125-F1133 CarbonylContact C-O 3.56Å; S1125-F1133 VanDerWaalsContact CA-O 3.23Å; S1125-F1133 WeakPolarHBondContact CA-O 3.43Å; L1126-F1133 HydrophobicContact CB-CB 4.31Å; L1126-F1133 HydrophobicContact CB-CD2 4.24Å; L1126-F1133 HydrophobicContact CD2-CD2 3.92Å; L1126-F1133 HydrophobicContact CD2-CE2 4.42Å; L1126-F1133 HydrophobicContact CG-CD2 4.01Å; L1126-F1133 PolarHBondContact N-O 3.41Å; L1126-F1133 PolarHBondContact O-N 3.18Å; H1131-F1133 HydrophobicContact CB-CD2 4.46Å; H1131-F1133 HydrophobicContact CB-CE2 3.63Å; H1131-F1133 HydrophobicContact CB-CZ 3.79Å; F1133-H1216 CarbonylContact C-O 3.47Å; F1133-H1216 WeakPolarHBondContact CA-O 3.47Å; F1133-L1217 HydrophobicContact CD1-CB 4.42Å; F1133-L1217 HydrophobicContact CD1-CD1 3.85Å; F1133-L1217 HydrophobicContact CE1-CD1 3.59Å; F1133-L1217 HydrophobicContact CE1-CG 4.49Å; F1133-L1217 HydrophobicContact CZ-CD1 4.08Å; F1133-L1641 HydrophobicContact CD1-CD1 4.18Å; F1133-L1641 HydrophobicContact CE1-CD1 3.64Å; F1133-L1641 HydrophobicContact CE1-CD2 4.18Å; F1133-L1641 HydrophobicContact CE1-CG 4.45Å; F1133-L1641 HydrophobicContact CZ-CD1 4.46Å; F1133-Y1651 HydrophobicContact CE1-CD2 4.08Å; F1133-Y1651 HydrophobicContact CE1-CG 4.27Å; F1133-Y1651 AromaticContact CE2-CD1 3.84Å; F1133-Y1651 HydrophobicContact CE2-CD1 3.84Å; F1133-Y1651 HydrophobicContact CE2-CD2 4.16Å; F1133-Y1651 HydrophobicContact CE2-CE1 4.1Å; F1133-Y1651 HydrophobicContact CE2-CE2 4.39Å; F1133-Y1651 AromaticContact CE2-CG 3.86Å; F1133-Y1651 HydrophobicContact CE2-CG 3.86Å; F1133-Y1651 AromaticContact CZ-CD1 3.95Å; F1133-Y1651 HydrophobicContact CZ-CD1 3.95Å; F1133-Y1651 AromaticContact CZ-CD2 3.4Å; F1133-Y1651 HydrophobicContact CZ-CD2 3.4Å; F1133-Y1651 HydrophobicContact CZ-CE1 4.21Å; F1133-Y1651 AromaticContact CZ-CE2 3.7Å; F1133-Y1651 HydrophobicContact CZ-CE2 3.7Å; F1133-Y1651 AromaticContact CZ-CG 3.53Å; F1133-Y1651 HydrophobicContact CZ-CG 3.53Å; F1133-M1669 HydrophobicContact CB-CE 3.91Å; F1133-M1669 HydrophobicContact CB-SD 3.92Å; F1133-M1669 HydrophobicContact CD1-CE 4.05Å; F1133-M1669 HydrophobicContact CG-CE 3.97Å
1134T75Confident63.2Low6 Ų641.7 Ų41.74%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-136.3136.3178.6-59.20000112.2R1123 V1124 S1125 H1136 H1216R1123-T1134 HydrophobicContact CG-CG2 3.74Å; V1124-T1134 CarbonylContact O-C 3.54Å; V1124-T1134 WeakPolarHBondContact O-CA 3.32Å; S1125-T1134 WeakPolarHBondContact OG-CG2 3.31Å; S1125-T1134 PolarHBondContact OG-OG1 2.84Å; T1134-H1136 WeakPolarHBondContact CG2-NE2 3.47Å; T1134-H1216 PolarHBondContact N-O 2.82Å; T1134-H1216 PolarHBondContact O-N 2.73Å
1135I74.4Confident60.5Low5 Ų548.5 Ų48.53%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-109.7134170.9-44.3176.6000107.7R1123 V1124 I1215 M1669R1123-I1135 WeakPolarHBondContact CA-O 3.42Å; V1124-I1135 HydrophobicContact CB-CB 4.5Å; V1124-I1135 PolarHBondContact N-O 2.99Å; V1124-I1135 PolarHBondContact O-N 2.9Å; I1135-I1215 HydrophobicContact CG1-CG1 4.47Å; I1135-M1669 HydrophobicContact CD1-CB 4.13Å; I1135-M1669 HydrophobicContact CD1-CG 4.35Å
1136H67Low57.7Low40 Ų4054.4 Ų54.419%0.18532%0.32CS..EExtended strand (participates in β ladder)trans-113.7143.3170.4-71.9-108.8000109.8T1134 F1214T1134-H1136 WeakPolarHBondContact CG2-NE2 3.47Å; H1136-F1214 HydrophobicContact CB-CE2 4.36Å; H1136-F1214 HydrophobicContact CB-CZ 4.21Å
1137K67.7Low54.8Low33 Ų3359.4 Ų59.414%0.14335%0.353CS..EExtended strand (participates in β ladder)trans-141.2141.5170.8169.5-178.2165.3-167.70109L1122 D1139 S1692L1122-K1137 HydrophobicContact CB-CB 4.22Å; L1122-K1137 HydrophobicContact CD1-CD 3.95Å; L1122-K1137 HydrophobicContact CD1-CG 4.3Å; L1122-K1137 PolarHBondContact N-O 2.79Å; L1122-K1137 PolarHBondContact O-N 3.02Å; L1122-K1137 VanDerWaalsContact O-O 3.13Å; K1137-D1139 IonicContact NZ-OD2 2.71Å; K1137-S1692 PolarHBondContact NZ-O 3.25Å
1138I54.1Low52Low102 Ų10268.6 Ų68.652%0.52339%0.387SS..EExtended strand (participates in β ladder)trans-111.4136.3172.3-60.2164000107.5E432E432-I1138 HydrophobicContact CB-CD1 3.89Å; E432-I1138 HydrophobicContact CG-CD1 3.87Å
1139D56.9Low49.3Very low47 Ų4777 Ų7725%0.25142%0.424SS..EExtended strand (participates in β ladder)trans-120.2142.6178.1-151-14.7000110.9A1120 K1137 W1693A1120-D1139 HydrophobicContact CB-CB 4.32Å; A1120-D1139 PolarHBondContact N-O 3.03Å; A1120-D1139 PolarHBondContact O-N 3.2Å; K1137-D1139 IonicContact NZ-OD2 2.71Å; D1139-W1693 PolarHBondContact OD2-NE1 3.35Å
1140G36Very low47Very low45 Ų4582.5 Ų82.546%0.46445%0.453SS..PPolyproline II helixtrans-82.6165.3-169.600000113.9
1141P34.6Very low44.9Very low77 Ų7784 Ų8450%0.545%0.454SS..PPolyproline II helixtrans-67.7125177.629.1-34.1000111.5T1117T1117-P1141 VanDerWaalsContact O-CB 3.31Å; T1117-P1141 WeakPolarHBondContact O-CB 3.39Å
1142P35.5Very low42.4Very low99 Ų9990.6 Ų90.664%0.64349%0.49SS*.PPolyproline II helixtrans-69.1136.2179.927-34.1000111.6G1118G1118-P1142 VanDerWaalsContact O-CD 3.28Å; G1118-P1142 WeakPolarHBondContact O-CD 3.39Å
1143E27.8Very low40.2Very low122 Ų12299.2 Ų99.257%0.5753%0.528SS*.PPolyproline II helixtrans-60.3143.9179.8-72.1-167.4161.600112.1R701 N1145R701-E1143 IonicContact CZ-OE1 3.92Å; R701-E1143 VanDerWaalsContact CZ-OE1 3.23Å; R701-E1143 IonicContact NH1-OE1 2.69Å; R701-E1143 PolarHBondContact NH1-OE1 2.79Å; R701-E1143 IonicContact NH1-OE2 3.87Å; R701-E1143 IonicContact NH2-OE1 2.62Å; R701-E1143 PolarHBondContact NH2-OE1 2.98Å; E1143-N1145 PolarHBondContact O-N 2.86Å; E1143-N1145 PolarHBondContact O-ND2 2.87Å
1144P26.6Very low37.5Very low125 Ų125103.4 Ų103.481%0.81256%0.564SS**  trans-67.4101.5-175.426.4-34.6000111.8I1146P1144-I1146 PolarHBondContact O-N 2.83Å; P1144-I1146 VanDerWaalsContact O-N 3.12Å
1145N26.3Very low34.9Very low148 Ų148112.6 Ų112.679%0.79160%0.603SS**  trans-64.5108.1-179.1-87.4-90.1000112.1E1143 P1147E1143-N1145 PolarHBondContact O-N 2.86Å; E1143-N1145 PolarHBondContact O-ND2 2.87Å; N1145-P1147 WeakPolarHBondContact O-CD 3.43Å
1146I23.2Very low32.3Very low134 Ų134120.6 Ų120.669%0.68764%0.638SS**  trans-67.6115.6171.8-60.3174.9000108.8P1144 Y1148P1144-I1146 PolarHBondContact O-N 2.83Å; P1144-I1146 VanDerWaalsContact O-N 3.12Å; I1146-Y1148 HydrophobicContact CG2-CE2 4.36Å; I1146-Y1148 PolarHBondContact O-N 2.77Å
1147P25.5Very low30.2Very low106 Ų106126.6 Ų126.669%0.68867%0.672SS**  trans-85.788.1-162.432.9-35.9000113.3N1145 K1149N1145-P1147 WeakPolarHBondContact O-CD 3.43Å; P1147-K1149 PolarHBondContact O-N 2.85Å
1148Y21.2Very low28Very low217 Ų217130.9 Ų130.985%0.85170%0.696SS**  trans-65.387.2171.1-78.5-90.4000112.4I1146I1146-Y1148 HydrophobicContact CG2-CE2 4.36Å; I1146-Y1148 PolarHBondContact O-N 2.77Å
1149K22.9Very low26.5Very low186 Ų186135 Ų13581%0.80971%0.713SS**  trans-85.1111.3171.5-73.7-179.7178.1172.60110.8P1147 P1151P1147-K1149 PolarHBondContact O-N 2.85Å; K1149-P1151 WeakPolarHBondContact O-CD 3.29Å
1150N22.6Very low24.7Very low163 Ų163141.3 Ų141.387%0.87274%0.741SS**  trans-65.4127.5167.2-80.6-55.9000110.6
1151P22.2Very low24.1Very low81 Ų81147.1 Ų147.153%0.52676%0.761SS.*  trans-83169170.334.1-34.2000112.3K1149K1149-P1151 WeakPolarHBondContact O-CD 3.29Å
1152N22Very low23.5Very low144 Ų144151.9 Ų151.977%0.7778%0.777SS**  trans78.4118.6-174.3-48.2-70.3000113.5
1153E23.5Very low23Very low200 Ų200156.5 Ų156.594%0.93579%0.79SS**  cis-137.5160.240.3-72.7179.1156.900113.8
1154A21.9Very low22.7Very low92 Ų92156.6 Ų156.676%0.7680%0.802SS**  trans-142.3154.317800000112.2
1155K20.9Very low22.3Very low199 Ų199158.2 Ų158.287%0.86580%0.803SS**  trans74.683.5171.7-55.7-176.7-178.8178.50116.4
1156F20.2Very low22Very low172 Ų172155.9 Ų155.975%0.75480%0.796SS**  -1.5139.9116.3-78.9-98.6000116.2D1158F1156-D1158 WeakPolarHBondContact CD1-OD2 3.36Å
1157N22.5Very low21.8Very low167 Ų167156.2 Ų156.289%0.89380%0.799SS**  -152.7122119.7-12310.2000110.1
1158D21.4Very low21.5Very low122 Ų122161.1 Ų161.165%0.65281%0.806SS**  trans-75.2150171.9-53.2-84.3000110.7F1156F1156-D1158 WeakPolarHBondContact CD1-OD2 3.36Å
1159Q22.7Very low21.5Very low189 Ų189158.1 Ų158.188%0.88380%0.799SS**  trans-152.2122.3144.9-123.2169.421.900111.9
1160E18.7Very low21.3Very low180 Ų180153.5 Ų153.584%0.84179%0.791SS**  trans-72.2158.7175.5-58.8170.1122.500110.7
1161N24.8Very low21.2Very low166 Ų166154.5 Ų154.589%0.88879%0.79SS**  trans-149.4128158.2-114.3-56000110.3
1162E21.2Very low21Very low178 Ų178154.9 Ų154.983%0.83280%0.795SS**  trans-90139.5179.1-56.7-178.7119.700111
1163Q24.1Very low21Very low195 Ų195154.4 Ų154.491%0.91179%0.792SS**  -172.3131.8127.7-107.1174.229.800112.1
1164P21.6Very low20.9Very low125 Ų125152.6 Ų152.681%0.81278%0.784SS**  trans-98149.4174.936.6-32.6000112.8
1165N18Very low20.8Very low159 Ų159154.6 Ų154.685%0.8578%0.781SS**  trans-153.6126.6163.5-161.113.2000111.7
1166P20.8Very low20.9Very low98 Ų98151.1 Ų151.164%0.63677%0.771SS**  trans-109.7170.6-177.639.6-34000115.3
1167N20.1Very low21Very low142 Ų142151 Ų15176%0.75977%0.77SS**  trans110155.3159.7-62.4-39000119.1
1168Y18.7Very low21Very low209 Ų209149.8 Ų149.882%0.8276%0.763SS**  trans71.9149177.8-68.5-94.9000118.1
1169Q20.2Very low21Very low154 Ų154149.9 Ų149.972%0.7276%0.764SS**  cis-175.8146.4-46.5-121.5-176.50.300110.6
1170S19.3Very low21Very low89 Ų89148.7 Ų148.762%0.62276%0.756SS**  trans73.4152.1144.7-52.90000122.4
1171E19.8Very low21.1Very low184 Ų184146.7 Ų146.786%0.8675%0.751SS**  trans70.3147162.1-63-175.8-142.400119.2
1172S19.2Very low20.9Very low89 Ų89142.9 Ų142.962%0.62274%0.737SS**  cis-168.8167.2-16.5-99.50000111.7
1173N22.4Very low20.8Very low133 Ų133145.1 Ų145.171%0.71174%0.74SS**  trans86.2113.5161.8-62.1-52.4000122.2
1174Q21.2Very low20.6Very low163 Ų163140 Ų14076%0.76273%0.725SS**  42.3144.8111.2-66.2-172.275.300121.5
1175L20.1Very low20.7Very low134 Ų134141 Ų14170%0.70272%0.724SS**  cis-171172.5-16-155.992.7000108.4
1176N21Very low20.9Very low125 Ų125138.5 Ų138.567%0.66872%0.719SS**  trans72.5146.1169-69.1-45.3000118.1
1177K23.9Very low20.8Very low169 Ų169140.1 Ų140.174%0.73572%0.722SS**  cis-169.2158.1-28.7-133.6180-163.9169.90110.9
1178L21.2Very low20.8Very low142 Ų142140.7 Ų140.774%0.74373%0.725SS**  trans73127.8164-60.3167.6000116
1179N22Very low20.8Very low125 Ų125134 Ų13467%0.66872%0.72SS**  74.513858.9-90.7-7.5000113.2
1180K22.3Very low21Very low164 Ų164131.1 Ų131.171%0.71372%0.717SS**  cis-167.8-174.5-8.2-143.8176.4-166.7-172.50108.8
1181N21.4Very low20.9Very low138 Ų138129 Ų12974%0.73870%0.695SS**  trans73.7150.5160.2-620.3000116.2
1182S20.7Very low21Very low86 Ų86124.7 Ų124.760%0.60168%0.677SS**  cis-175.7142.2-19.148.90000109.8
1183Y18.3Very low21.1Very low225 Ų225128.5 Ų128.588%0.88268%0.682SS**  trans63.8162.5158.5-78.2-130.8000115
1184S21Very low20.9Very low87 Ų87124.3 Ų124.361%0.60866%0.662SS**  cis-156.9163.7-23.544.20000107.8
1185D23.6Very low20.8Very low146 Ų146118.4 Ų118.478%0.78164%0.635SS**  trans19.9127156.8-47.7-40000119.7
1186S21.6Very low20.8Very low106 Ų106116.3 Ų116.374%0.74163%0.632SS**  -178138.293380000114.9
1187N19.4Very low20.9Very low133 Ų133114.1 Ų114.171%0.71162%0.623SS**  trans39.6107.9138.3-62.7-24.4000121
1188N20.1Very low21.1Very low154 Ų154111.6 Ų111.682%0.82462%0.617SS**  71.6146.6115.5-58.9-24.2000121.5
1189G18.6Very low21.1Very low68 Ų68109.4 Ų109.470%0.70161%0.606SS**  11336.4120.100000117.3R1191G1189-R1191 PolarHBondContact O-N 2.83Å
1190S23.3Very low21.3Very low94 Ų94111.1 Ų111.166%0.65762%0.615SS**  trans-57.9104.1170.2172.20000112.4
1191R18.4Very low21.5Very low43 Ų43110.7 Ų110.716%0.16262%0.62CS.*  trans-166.296.8148.5-105.2152.1161.5155.2-11.3106.9G1189 K1685 N1686 V1687 L1699 T1701G1189-R1191 PolarHBondContact O-N 2.83Å; R1191-K1685 WeakPolarHBondContact CD-O 3.28Å; R1191-K1685 PolarHBondContact NH1-O 3.14Å; R1191-N1686 PolarHBondContact NH1-OD1 3.04Å; R1191-N1686 VanDerWaalsContact NH2-CA 3.3Å; R1191-N1686 PolarHBondContact NH2-OD1 3.31Å; R1191-V1687 HydrophobicContact CB-CG2 3.75Å; R1191-V1687 HydrophobicContact CG-CB 3.9Å; R1191-V1687 HydrophobicContact CG-CG2 3.53Å; R1191-V1687 PolarHBondContact NH2-O 2.93Å; R1191-L1699 PolarHBondContact NE-O 2.79Å; R1191-L1699 PolarHBondContact NH1-O 3.47Å; R1191-L1699 PolarHBondContact NH2-O 3.16Å; R1191-T1701 PolarHBondContact NH1-OG1 2.94Å
1192I22.2Very low21.8Very low95 Ų95111.3 Ų111.349%0.48762%0.624SS.*  587373.9-50.6170.5000109.6L1699I1192-L1699 HydrophobicContact CB-CD1 4.5Å; I1192-L1699 HydrophobicContact CD1-CD1 4.26Å; I1192-L1699 HydrophobicContact CG2-CD1 4.25Å
1193K19.7Very low22Very low168 Ų168112.2 Ų112.273%0.7363%0.63SS**  trans-77.8128.1135.3-69.3-163.4170-1530106.9
1194T19.9Very low22.1Very low45 Ų45110.1 Ų110.128%0.27663%0.628SS.*  cis76.7136.945.471.30000113.7E1679 T1689T1194-E1679 WeakPolarHBondContact CB-OE2 3.24Å; T1194-E1679 HydrophobicContact CG2-CG 4.38Å; T1194-E1679 PolarHBondContact OG1-OE1 3.46Å; T1194-E1679 PolarHBondContact OG1-OE2 3.48Å; T1194-T1689 HydrophobicContact CG2-CG2 3.92Å
1195N19.2Very low22.2Very low40 Ų40112.1 Ų112.121%0.21464%0.637CS.*  trans67.9111.3166.6-44.2-61000116.4R1670 M1674 E1679N1195-R1670 VanDerWaalsContact CG-NH1 3.31Å; N1195-R1670 PolarHBondContact ND2-NH2 3.07Å; N1195-R1670 PolarHBondContact OD1-NH1 3.36Å; N1195-M1674 HydrophobicContact CB-SD 3.86Å; N1195-E1679 PolarHBondContact ND2-OE2 3.18Å
1196S18.8Very low22.3Very low89 Ų89110.3 Ų110.362%0.62263%0.632SS**  162.394.397.247.40000113.8E1675S1196-E1675 PolarHBondContact N-OE2 2.81Å
1197V24.5Very low22.5Very low80 Ų80113.1 Ų113.149%0.48563%0.633SS.*  trans-95.8136.7133.4179.70000103.9D1673 M1674 E1675V1197-D1673 VanDerWaalsContact O-O 3.06Å; V1197-M1674 WeakPolarHBondContact O-CA 3.33Å; V1197-E1675 HydrophobicContact CB-CG 4.32Å
1198N27.2Very low22.9Very low115 Ų115112 Ų11262%0.61563%0.627SS**  cis-150.1-167.937.7-151.2-6.4000115.5D1673N1198-D1673 PolarHBondContact N-O 2.86Å
1199L22.2Very low23.3Very low96 Ų96110 Ų11050%0.50361%0.611SS.*  trans77.8127.8154.7-70.9148.8000119.4D1673L1199-D1673 HydrophobicContact CD1-CB 3.79Å; L1199-D1673 WeakPolarHBondContact CD1-OD1 3.31Å
1200D25Very low23.8Very low162 Ų162111.3 Ų111.387%0.86661%0.607SS**  -164.3127.391.8-98.9-21.5000109.9
1201D27.4Very low24.2Very low154 Ų154113.5 Ų113.582%0.82461%0.605SS**  trans-116.4147.6177.3-123.6-31.1000110.7S1203D1201-S1203 PolarHBondContact O-N 3.28Å
1202N26.3Very low25.4Very low152 Ų152117.2 Ų117.281%0.81362%0.624SS**  trans-8383.2-174.1-72.6-84000112.4E1204N1202-E1204 PolarHBondContact O-N 3.46Å
1203S25.2Very low26.6Very low104 Ų104115 Ų11573%0.72761%0.612SS**  trans36.977.1143.4670000117.6D1201D1201-S1203 PolarHBondContact O-N 3.28Å
1204E21.5Very low28.4Very low181 Ų181110.2 Ų110.285%0.84659%0.591SS**  trans-87135.2141.7-72.1-168.2149.800108N1202 T1206N1202-E1204 PolarHBondContact O-N 3.46Å; E1204-T1206 PolarHBondContact O-N 2.94Å
1205T21.5Very low30.5Very low129 Ų129108.3 Ų108.379%0.79158%0.579SS**  trans-79.388.3-164.752.10000113.1
1206T26.8Very low32.7Very low109 Ų109108.7 Ų108.767%0.66958%0.579SS**  trans-86.6112.9167.652.10000110.8E1204 N1208E1204-T1206 PolarHBondContact O-N 2.94Å; T1206-N1208 PolarHBondContact O-N 3.08Å
1207Q25.3Very low34.9Very low164 Ų164104.7 Ų104.777%0.76655%0.551SS**PPolyproline II helixtrans-66.4121.1173-66.4-175.8-56.300109.6
1208N27.2Very low36.7Very low109 Ų109102.5 Ų102.558%0.58354%0.539SS*.PPolyproline II helixtrans-78.9143.9-170.3-74.2-64.2000113.1T1206T1206-N1208 PolarHBondContact O-N 3.08Å
1209K29.5Very low38.3Very low114 Ų11497.7 Ų97.750%0.49651%0.514SS..PPolyproline II helixtrans-60.1127161.2-71.3-169167.3-160.50109.1E604 F1211E604-K1209 VanDerWaalsContact CD-CE 3.42Å; E604-K1209 WeakPolarHBondContact OE1-CE 3.5Å; E604-K1209 IonicContact OE1-NZ 3.94Å; E604-K1209 PolarHBondContact OE1-NZ 3.49Å; E604-K1209 WeakPolarHBondContact OE2-CE 3.46Å; E604-K1209 IonicContact OE2-NZ 3.16Å; E604-K1209 PolarHBondContact OE2-NZ 2.85Å; K1209-F1211 VanDerWaalsContact C-N 3.33Å; K1209-F1211 PolarHBondContact O-N 3.16Å
1210P28.6Very low39.9Very low94 Ų9496.7 Ų96.761%0.6151%0.513SS*.SBendtrans-73.1-14.2-168.1-22.234.4000116.6
1211F31.3Very low41.2Very low140 Ų14093.4 Ų93.461%0.61450%0.496SS*.  trans-142.167.9-165.1-55.8-63.9000114.5K1209 Y1228K1209-F1211 VanDerWaalsContact C-N 3.33Å; K1209-F1211 PolarHBondContact O-N 3.16Å; F1211-Y1228 HydrophobicContact CD1-CD1 4.2Å; F1211-Y1228 AromaticContact CE1-CD1 3.96Å; F1211-Y1228 HydrophobicContact CE1-CD1 3.96Å
1212E43.8Very low42.3Very low122 Ų12287.7 Ų87.757%0.5747%0.473SS*.SBendtrans-89.2-27.9166.5-72.2-171.6151.900113.6
1213H47.9Very low43.6Very low48 Ų4881.5 Ų81.522%0.22244%0.443CS..  trans-140130.5-170.4-56.989.4000111S1671H1213-S1671 PolarHBondContact CD2-O 3.35Å; H1213-S1671 VanDerWaalsContact CD2-O 3.27Å
1214F58.1Low45.2Very low67 Ų6780.6 Ų80.629%0.29443%0.427SS..EExtended strand (participates in β ladder)trans-143.8150.2172.452.8-92.5000110.3H1136H1136-F1214 HydrophobicContact CB-CE2 4.36Å; H1136-F1214 HydrophobicContact CB-CZ 4.21Å
1215I63.4Low46.9Very low5 Ų572.4 Ų72.43%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-112123.3177-58.3175.2000107.9I1135 V1227 V1649I1135-I1215 HydrophobicContact CG1-CG1 4.47Å; I1215-V1227 HydrophobicContact CB-CB 4.44Å; I1215-V1227 PolarHBondContact N-O 2.84Å; I1215-V1227 PolarHBondContact O-N 2.84Å; I1215-V1649 HydrophobicContact CD1-CB 4.33Å; I1215-V1649 HydrophobicContact CD1-CG2 3.64Å
1216H64.4Low48.6Very low48 Ų4866.9 Ų66.922%0.22236%0.357CS..EExtended strand (participates in β ladder)trans-103.1129.5175.3-170.3-90.2000110.1F1133 T1134 S1218 Q1224F1133-H1216 CarbonylContact C-O 3.47Å; F1133-H1216 WeakPolarHBondContact CA-O 3.47Å; T1134-H1216 PolarHBondContact N-O 2.82Å; T1134-H1216 PolarHBondContact O-N 2.73Å; H1216-S1218 PolarHBondContact CE1-OG 3.28Å; H1216-S1218 PolarHBondContact ND1-OG 2.89Å; H1216-Q1224 PolarHBondContact CE1-OE1 3.06Å; H1216-Q1224 PolarHBondContact NE2-OE1 2.98Å
1217L66Low50Low6 Ų662 Ų623%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-111.2127169.4160.963.1000108.7H1131 F1133 T1219 Q1224 V1225 L1633 L1641H1131-L1217 HydrophobicContact CB-CD1 4.31Å; F1133-L1217 HydrophobicContact CD1-CB 4.42Å; F1133-L1217 HydrophobicContact CD1-CD1 3.85Å; F1133-L1217 HydrophobicContact CE1-CD1 3.59Å; F1133-L1217 HydrophobicContact CE1-CG 4.49Å; F1133-L1217 HydrophobicContact CZ-CD1 4.08Å; L1217-T1219 HydrophobicContact CD1-CG2 4.21Å; L1217-T1219 HydrophobicContact CD2-CG2 4.36Å; L1217-T1219 HydrophobicContact CG-CG2 4.24Å; L1217-Q1224 WeakPolarHBondContact O-CA 3.49Å; L1217-V1225 HydrophobicContact CB-CB 4.27Å; L1217-V1225 HydrophobicContact CD2-CB 4.32Å; L1217-V1225 HydrophobicContact CD2-CG2 4.3Å; L1217-V1225 PolarHBondContact N-O 3.39Å; L1217-V1225 PolarHBondContact O-N 2.94Å; L1217-L1633 HydrophobicContact CD2-CD2 3.64Å; L1217-L1641 HydrophobicContact CD2-CD2 4.03Å
1218S63.3Low51.2Low34 Ų3457.3 Ų57.324%0.23830%0.303CS..EExtended strand (participates in β ladder)trans-110.7129.9162.2-580000110.1H1131 V1132 H1216H1131-S1218 WeakPolarHBondContact CA-O 3.19Å; V1132-S1218 PolarHBondContact N-O 3.27Å; V1132-S1218 PolarHBondContact O-N 3.15Å; H1216-S1218 PolarHBondContact CE1-OG 3.28Å; H1216-S1218 PolarHBondContact ND1-OG 2.89Å
1219T60.5Low52.2Low14 Ų1453.8 Ų53.89%0.08628%0.283CS..  trans-95.8162.6175.6610000111.9L1217 D1221 G1222 A1223L1217-T1219 HydrophobicContact CD1-CG2 4.21Å; L1217-T1219 HydrophobicContact CD2-CG2 4.36Å; L1217-T1219 HydrophobicContact CG-CG2 4.24Å; T1219-D1221 WeakPolarHBondContact CB-OD1 3.38Å; T1219-D1221 PolarHBondContact O-N 3.41Å; T1219-D1221 PolarHBondContact OG1-OD1 2.96Å; T1219-G1222 PolarHBondContact O-N 2.85Å; T1219-A1223 PolarHBondContact N-O 2.89Å; T1219-A1223 WeakPolarHBondContact OG1-CB 3.47Å; T1219-A1223 PolarHBondContact OG1-N 2.91Å; T1219-A1223 PolarHBondContact OG1-O 3.32Å
1220P54.5Low52.7Low74 Ų7450 Ų5048%0.48127%0.271SS..THydrogen-bonded Turntrans-60.2-27.3-179-23.231.4000115.1G1222P1220-G1222 VanDerWaalsContact C-N 3.29Å
1221D52.3Low52.8Low94 Ų9449.6 Ų49.650%0.50327%0.266SS..THydrogen-bonded Turntrans-85.83.1176.263.9-38.1000113.4T1219T1219-D1221 WeakPolarHBondContact CB-OD1 3.38Å; T1219-D1221 PolarHBondContact O-N 3.41Å; T1219-D1221 PolarHBondContact OG1-OD1 2.96Å
1222G51.6Low52.6Low33 Ų3348 Ų4834%0.3426%0.264SS..  trans872.9172.800000115.3T1219 P1220T1219-G1222 PolarHBondContact O-N 2.85Å; P1220-G1222 VanDerWaalsContact C-N 3.29Å
1223A52.7Low51.6Low23 Ų2349.5 Ų49.519%0.1927%0.271CS..  trans-66139.3171.900000110.1T1219T1219-A1223 PolarHBondContact N-O 2.89Å; T1219-A1223 WeakPolarHBondContact OG1-CB 3.47Å; T1219-A1223 PolarHBondContact OG1-N 2.91Å; T1219-A1223 PolarHBondContact OG1-O 3.32Å
1224Q59.6Low50.3Low84 Ų8454.3 Ų54.339%0.39330%0.297SS..EExtended strand (participates in β ladder)trans-117.2136.9177.4-62.8-175.518.100110.4H1216 L1217 S1282H1216-Q1224 PolarHBondContact CE1-OE1 3.06Å; H1216-Q1224 PolarHBondContact NE2-OE1 2.98Å; L1217-Q1224 WeakPolarHBondContact O-CA 3.49Å; Q1224-S1282 PolarHBondContact N-O 3.27Å; Q1224-S1282 PolarHBondContact O-N 2.7Å; Q1224-S1282 VanDerWaalsContact O-N 3.09Å
1225V55.8Low48.6Very low9 Ų956.5 Ų56.56%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-125.3116.6173.2-174.20000108.1L1217 V1227 L1279 K1280 L1281L1217-V1225 HydrophobicContact CB-CB 4.27Å; L1217-V1225 HydrophobicContact CD2-CB 4.32Å; L1217-V1225 HydrophobicContact CD2-CG2 4.3Å; L1217-V1225 PolarHBondContact N-O 3.39Å; L1217-V1225 PolarHBondContact O-N 2.94Å; V1225-V1227 HydrophobicContact CG1-CG2 4.45Å; V1225-L1279 HydrophobicContact CG1-CD2 4.34Å; V1225-K1280 WeakPolarHBondContact CA-O 3.41Å; V1225-L1281 HydrophobicContact CG2-CD2 3.77Å; V1225-L1281 HydrophobicContact CG2-CG 4.46Å
1226A58.2Low46.6Very low14 Ų1463.1 Ų63.112%0.11636%0.356CS..EExtended strand (participates in β ladder)trans-98123.3167.700000109.1Y1228 K1280A1226-Y1228 HydrophobicContact CB-CD2 4.24Å; A1226-Y1228 HydrophobicContact CB-CE2 3.51Å; A1226-K1280 HydrophobicContact CB-CB 4.46Å; A1226-K1280 PolarHBondContact N-O 3.26Å; A1226-K1280 PolarHBondContact O-N 2.84Å; A1226-K1280 VanDerWaalsContact O-N 3.07Å
1227V56.1Low44.5Very low5 Ų571.8 Ų71.83%0.0339%0.386CS..EExtended strand (participates in β ladder)trans-95.9108.7176-170.20000108.3I1215 V1225 H1229 I1277 L1279 I1643I1215-V1227 HydrophobicContact CB-CB 4.44Å; I1215-V1227 PolarHBondContact N-O 2.84Å; I1215-V1227 PolarHBondContact O-N 2.84Å; V1225-V1227 HydrophobicContact CG1-CG2 4.45Å; V1227-H1229 WeakPolarHBondContact CG1-NE2 3.29Å; V1227-I1277 HydrophobicContact CG1-CG2 3.65Å; V1227-L1279 HydrophobicContact CB-CD2 4.36Å; V1227-L1279 HydrophobicContact CG1-CD2 4.1Å; V1227-L1279 HydrophobicContact CG2-CD2 3.98Å; V1227-I1643 HydrophobicContact CG1-CD1 4.43Å; V1227-I1643 HydrophobicContact CG1-CG2 4.4Å; V1227-I1643 HydrophobicContact CG2-CD1 3.9Å
1228Y51.2Low42.4Very low66 Ų6676.3 Ų76.326%0.25943%0.425SS..EExtended strand (participates in β ladder)trans-101130.8174-57.8-90000109.4F1211 A1226 I1277 L1278 K1280F1211-Y1228 HydrophobicContact CD1-CD1 4.2Å; F1211-Y1228 AromaticContact CE1-CD1 3.96Å; F1211-Y1228 HydrophobicContact CE1-CD1 3.96Å; A1226-Y1228 HydrophobicContact CB-CD2 4.24Å; A1226-Y1228 HydrophobicContact CB-CE2 3.51Å; Y1228-I1277 CarbonylContact O-C 3.57Å; Y1228-I1277 WeakPolarHBondContact O-CA 3.31Å; Y1228-L1278 WeakPolarHBondContact CB-O 3.32Å; Y1228-L1278 HydrophobicContact CD2-CD2 3.88Å; Y1228-L1278 WeakPolarHBondContact CD2-O 3.32Å; Y1228-L1278 PolarHBondContact N-O 3.19Å; Y1228-L1278 PolarHBondContact O-N 3.44Å; Y1228-K1280 HydrophobicContact CD2-CB 4.42Å; Y1228-K1280 HydrophobicContact CE2-CB 3.77Å; Y1228-K1280 HydrophobicContact CE2-CD 4.45Å
1229H47Very low40.4Very low36 Ų3681.8 Ų81.817%0.16745%0.451CS..EExtended strand (participates in β ladder)trans-102.9105177.7-67.1-94.7000109.3V1227 N1647V1227-H1229 WeakPolarHBondContact CG1-NE2 3.29Å; H1229-N1647 PolarHBondContact ND1-OD1 3.39Å
1230C39.8Very low38.6Very low35 Ų3589 Ų8924%0.23649%0.49CS..EExtended strand (participates in β ladder)trans-101.1146.4-176.9-59.80000111.8S1276C1230-S1276 WeakPolarHBondContact CB-O 3.47Å; C1230-S1276 PolarHBondContact N-O 3.16Å; C1230-S1276 PolarHBondContact O-N 2.68Å
1231V31.3Very low37Very low85 Ų8594.8 Ų94.852%0.51551%0.51SS..EExtended strand (participates in β ladder)trans-122.6107.4178.5-177.10000108.4
1232N26.9Very low35.5Very low105 Ų10596.7 Ų96.756%0.56153%0.529SS*.  trans-106.3111.6-179.3-83.1-6.9000111.2
1233E22.8Very low34Very low154 Ų15499 Ų9972%0.7255%0.545SS*.  trans-111.4116.9167.5-66-167.7156.800110.2
1234I21.5Very low32.4Very low150 Ų150106 Ų10677%0.76957%0.574SS**  trans-97.2111.6-177.7-60.2174.2000109.2
1235S21.6Very low30.5Very low113 Ų113109.6 Ų109.679%0.7959%0.591SS**  trans-103.696.1-180-1720000111.4
1236N20.6Very low28.8Very low143 Ų143115.3 Ų115.377%0.76562%0.621SS**  trans-83.8119.5173.4-76.5-14.3000110.5
1237R22.1Very low27Very low230 Ų230121.9 Ų121.987%0.86865%0.652SS**  trans-150.494.5170.8-150.5174.6-166.4173.34.9112.1
1238A20Very low25.5Very low102 Ų102126.8 Ų126.884%0.84369%0.685SS**  trans-117.8151.5163.600000108.1
1239N22.9Very low24Very low148 Ų148128.9 Ų128.979%0.79171%0.709SS**  trans-100.2135.2-165-59.3-23.1000112.5
1240D22.1Very low22.7Very low167 Ų167135 Ų13589%0.89374%0.735SS**  trans-76.9123.5155.6-67.2-59.6000109.4
1241E21.1Very low21.7Very low194 Ų194140.6 Ų140.691%0.90776%0.758SS**  trans-158.1104.2158.7-142.7171.6-127.500111.4
1242C20.5Very low21.2Very low134 Ų134142.5 Ų142.591%0.90577%0.769SS**  trans-157.8139.8158.9-147.40000110.5
1243A20.3Very low20.8Very low81 Ų81144.8 Ų144.867%0.66978%0.781SS**  trans-87.4-172.1171.300000109.4
1244E19.3Very low20.8Very low171 Ų171144.6 Ų144.680%0.79978%0.783SS**  cis-167.9153.825.1-148.4166.3-146.100109.9
1245E19.4Very low20.7Very low159 Ų159144.9 Ų144.974%0.74379%0.786SS**  trans59163.2169.4-38.3-159.4138.800117.5
1246N20.3Very low20.7Very low130 Ų130143.3 Ų143.370%0.69579%0.788SS**  cis-147.9-179.719.3-125.4-57.2000113.5
1247I20Very low20.7Very low151 Ų151146 Ų14677%0.77480%0.796SS**  trans-124.2178.5-165.3-52.6159000109.4
1248P24.2Very low20.6Very low109 Ų109140.2 Ų140.271%0.70879%0.791SS**  -111.1-179.6-55.736.8-23.5000113.5
1249S19.9Very low20.6Very low109 Ų109142.6 Ų142.676%0.76278%0.782SS**  173.2150.5122-81.70000116.8
1250K19.5Very low20.3Very low166 Ų166147 Ų14772%0.72279%0.788SS**  trans3.3154.1140.1-69.9170.6163.2-1110119.8
1251E20.3Very low20.2Very low152 Ų152149.4 Ų149.471%0.7178%0.784SS**  cis-157176.35.7-129.8149-161.800113.1
1252T19.5Very low20.2Very low124 Ų124145 Ų14576%0.76177%0.77SS**  trans-67.1140.9-178.546.10000116
1253L19.7Very low20.2Very low154 Ų154148.3 Ų148.381%0.80677%0.77SS**  trans-161.5135.2133.6-136.272.6000115.6
1254I21Very low20.2Very low149 Ų149147.2 Ų147.276%0.76475%0.753SS**  trans40.2135.6146.4-68.6168.6000122.5
1255N20.2Very low20.2Very low157 Ų157147.4 Ų147.484%0.8475%0.754SS**  trans-51146174-56.1-14.1000116.2
1256G21.6Very low20.3Very low79 Ų79148.3 Ų148.381%0.81476%0.758SS**  trans-150.199.8158.900000111.2
1257E19.9Very low20.3Very low200 Ų200148.2 Ų148.294%0.93576%0.762SS**  trans-85.3114.7179.6-69.9-171149.700112.3
1258S20.5Very low20.3Very low109 Ų109147.1 Ų147.176%0.76276%0.758SS**  trans-159.2138.2143.159.90000114.2
1259K19.9Very low20.1Very low152 Ų152146.5 Ų146.566%0.66176%0.756SS**  trans-4.3143135-47164.5-172.5172.30114
1260W17Very low20.3Very low240 Ų240150.6 Ų150.691%0.90976%0.76SS**  cis-144.8163.935.3-73.772000113.2
1261R19.9Very low20.5Very low217 Ų217150.2 Ų150.282%0.81977%0.765SS**  trans-80.1119.3164.9-75.5177.9163.3-144.6-7.9110.7
1262T20.6Very low20.6Very low101 Ų101149.3 Ų149.362%0.6277%0.766SS**  trans-153.767.8144.131.90000109.4
1263K20.7Very low20.8Very low204 Ų204146.5 Ų146.589%0.88775%0.751SS**  trans-104.1100.5136-67.6-172.3176.1-172.60103.1
1264N20.8Very low21.3Very low59 Ų59146.7 Ų146.732%0.31675%0.747SS.*  4866.665.4-62.34.8000109.1Q1266 D1503N1264-Q1266 PolarHBondContact O-N 3.01Å; N1264-D1503 PolarHBondContact ND2-OD2 3.05Å
1265E20.2Very low21.9Very low175 Ų175145 Ų14582%0.81874%0.736SS**  25.388.3123.8-64.5176.9175.100113.5T1267E1265-T1267 VanDerWaalsContact C-N 3.32Å; E1265-T1267 PolarHBondContact O-N 3.44Å
1266Q20.7Very low22.7Very low178 Ų178139.5 Ų139.583%0.83271%0.71SS**  trans-56.6106.8149.5-71.6169.5-85.500106.4N1264 N1268N1264-Q1266 PolarHBondContact O-N 3.01Å; Q1266-N1268 PolarHBondContact O-N 3.3Å
1267T19.9Very low23.8Very low127 Ų127136.8 Ų136.878%0.77968%0.677SS**  trans-69.376.8169.651.80000108.1E1265 S1269E1265-T1267 VanDerWaalsContact C-N 3.32Å; E1265-T1267 PolarHBondContact O-N 3.44Å; T1267-S1269 PolarHBondContact O-N 3.13Å
1268N19.8Very low25Very low128 Ų128131.9 Ų131.968%0.68466%0.656SS**  trans-56.6108.2164.6-80.3-4000106.6Q1266 F1270Q1266-N1268 PolarHBondContact O-N 3.3Å; N1268-F1270 PolarHBondContact O-N 3.39Å; N1268-F1270 VanDerWaalsContact O-N 3.15Å
1269S21.5Very low26.2Very low96 Ų96128.5 Ų128.567%0.67163%0.63SS**  trans-59.7116.4175.833.30000108.4T1267 L1271T1267-S1269 PolarHBondContact O-N 3.13Å; S1269-L1271 VanDerWaalsContact C-N 3.27Å; S1269-L1271 PolarHBondContact O-N 2.98Å
1270F22.9Very low27.6Very low195 Ų195127.3 Ų127.386%0.85562%0.624SS**  trans-67.791170.6-74.6-89000108.5N1268 N1272N1268-F1270 PolarHBondContact O-N 3.39Å; N1268-F1270 VanDerWaalsContact O-N 3.15Å; F1270-N1272 PolarHBondContact O-N 2.82Å
1271L23.3Very low28.7Very low159 Ų159119.6 Ų119.683%0.83260%0.601SS**  trans-7179.7171-67.1174.7000109S1269S1269-L1271 VanDerWaalsContact C-N 3.27Å; S1269-L1271 PolarHBondContact O-N 2.98Å
1272N23.8Very low29.5Very low133 Ų133111.8 Ų111.871%0.71158%0.579SS**  trans-60.3135.3161.2-76.7-8.4000108.4F1270 Q1274F1270-N1272 PolarHBondContact O-N 2.82Å; N1272-Q1274 PolarHBondContact O-N 2.77Å
1273S24.2Very low30.2Very low65 Ų65111.5 Ų111.546%0.45558%0.581SS.*  trans-56.9122.1165.6-1740000108.8H1275S1273-H1275 PolarHBondContact O-N 2.8Å
1274Q29.5Very low30.5Very low157 Ų157104.8 Ų104.873%0.73456%0.564SS**  trans-89.497.3-179.8-70-166.8-0.500109.2N1272 S1276N1272-Q1274 PolarHBondContact O-N 2.77Å; Q1274-S1276 PolarHBondContact O-N 3.19Å; Q1274-S1276 VanDerWaalsContact O-N 3.07Å
1275H32.6Very low30.9Very low114 Ų114111.1 Ų111.153%0.52859%0.589SS.*EExtended strand (participates in β ladder)trans-61.3107159.8-63.2-66.4000108.3S1273S1273-H1275 PolarHBondContact O-N 2.8Å
1276S37.7Very low31.3Very low41 Ų41108.4 Ų108.429%0.28759%0.589SS.*EExtended strand (participates in β ladder)trans-98.4111179.447.80000109.5C1230 Q1274 L1278C1230-S1276 WeakPolarHBondContact CB-O 3.47Å; C1230-S1276 PolarHBondContact N-O 3.16Å; C1230-S1276 PolarHBondContact O-N 2.68Å; Q1274-S1276 PolarHBondContact O-N 3.19Å; Q1274-S1276 VanDerWaalsContact O-N 3.07Å; S1276-L1278 PolarHBondContact O-N 2.91Å
1277I44Very low31.4Very low23 Ų23107.8 Ų107.812%0.11859%0.589CS.*EExtended strand (participates in β ladder)trans-83.7111169.7-62.8169.5000107V1227 Y1228 L1279 I1643V1227-I1277 HydrophobicContact CG1-CG2 3.65Å; Y1228-I1277 CarbonylContact O-C 3.57Å; Y1228-I1277 WeakPolarHBondContact O-CA 3.31Å; I1277-L1279 HydrophobicContact CG2-CD2 3.95Å; I1277-L1279 HydrophobicContact CG2-CG 4.13Å; I1277-I1643 HydrophobicContact CD1-CG2 3.96Å
1278L45.1Very low31.6Very low96 Ų96106.4 Ų106.450%0.50358%0.577SS.*EExtended strand (participates in β ladder)trans-92.3117.9176.1-172.4155.9000108.4Y1228 S1276Y1228-L1278 WeakPolarHBondContact CB-O 3.32Å; Y1228-L1278 HydrophobicContact CD2-CD2 3.88Å; Y1228-L1278 WeakPolarHBondContact CD2-O 3.32Å; Y1228-L1278 PolarHBondContact N-O 3.19Å; Y1228-L1278 PolarHBondContact O-N 3.44Å; S1276-L1278 PolarHBondContact O-N 2.91Å
1279L45.8Very low31.8Very low39 Ų39105.4 Ų105.420%0.20457%0.572CS.*EExtended strand (participates in β ladder)trans-104.1111.7-177.6-64.7167.7000109.4V1225 V1227 I1277 F1623 F1625 I1643V1225-L1279 HydrophobicContact CG1-CD2 4.34Å; V1227-L1279 HydrophobicContact CB-CD2 4.36Å; V1227-L1279 HydrophobicContact CG1-CD2 4.1Å; V1227-L1279 HydrophobicContact CG2-CD2 3.98Å; I1277-L1279 HydrophobicContact CG2-CD2 3.95Å; I1277-L1279 HydrophobicContact CG2-CG 4.13Å; L1279-F1623 HydrophobicContact CD1-CE1 3.8Å; L1279-F1623 HydrophobicContact CD1-CE2 4.06Å; L1279-F1623 HydrophobicContact CD1-CZ 3.35Å; L1279-F1625 HydrophobicContact CD1-CE1 4.14Å; L1279-I1643 HydrophobicContact CD2-CD1 4.48Å
1280K49.1Very low31.8Very low127 Ų127106.8 Ų106.855%0.55258%0.582SS**EExtended strand (participates in β ladder)trans-94108.3171.3-168.3175.9-178.7178.70109.1V1225 A1226 Y1228V1225-K1280 WeakPolarHBondContact CA-O 3.41Å; A1226-K1280 HydrophobicContact CB-CB 4.46Å; A1226-K1280 PolarHBondContact N-O 3.26Å; A1226-K1280 PolarHBondContact O-N 2.84Å; A1226-K1280 VanDerWaalsContact O-N 3.07Å; Y1228-K1280 HydrophobicContact CD2-CB 4.42Å; Y1228-K1280 HydrophobicContact CE2-CB 3.77Å; Y1228-K1280 HydrophobicContact CE2-CD 4.45Å
1281L41.3Very low31.8Very low78 Ų78103.1 Ų103.141%0.40857%0.57SS.*EExtended strand (participates in β ladder)trans-89.5126.5168.8-79.9146000109V1225 L1613V1225-L1281 HydrophobicContact CG2-CD2 3.77Å; V1225-L1281 HydrophobicContact CG2-CG 4.46Å; L1281-L1613 HydrophobicContact CD1-CD2 3.91Å; L1281-L1613 HydrophobicContact CD2-CD1 4.32Å; L1281-L1613 HydrophobicContact CD2-CD2 4.23Å
1282S36.9Very low31.8Very low52 Ų52102.1 Ų102.136%0.36457%0.565SS.*EExtended strand (participates in β ladder)trans-123.1137.8170.947.80000111.9Q1224Q1224-S1282 PolarHBondContact N-O 3.27Å; Q1224-S1282 PolarHBondContact O-N 2.7Å; Q1224-S1282 VanDerWaalsContact O-N 3.09Å
1283S34.2Very low31.8Very low95 Ų95102.3 Ų102.366%0.66457%0.565SS**  trans-90.9147.4177.1-174.50000110.9K1285S1283-K1285 PolarHBondContact O-N 2.81Å; S1283-K1285 VanDerWaalsContact O-N 3.07Å
1284A27.7Very low31.8Very low63 Ų63106.1 Ų106.152%0.52158%0.58SS.*SBendtrans-86.657.5-170.100000114.5
1285K28.2Very low31.5Very low193 Ų193106.2 Ų106.284%0.83959%0.586SS**SBendtrans-167.8166.7155.7-118.3166.9-175.41780115.7S1283S1283-K1285 PolarHBondContact O-N 2.81Å; S1283-K1285 VanDerWaalsContact O-N 3.07Å
1286S28.9Very low31.2Very low117 Ų117107.3 Ų107.382%0.81860%0.595SS**  trans53.682.7179.952.70000115
1287I24.1Very low30.5Very low165 Ų165114.4 Ų114.485%0.84662%0.62SS**  trans-74129.6156.8-63.1166.4000107.5
1288N22.8Very low29.6Very low98 Ų98122.3 Ų122.352%0.52465%0.654SS.*  trans-173.4169.3157.9-99.4-13.8000109Q457Q457-N1288 PolarHBondContact NE2-ND2 2.87Å; Q457-N1288 PolarHBondContact OE1-ND2 2.9Å
1289D24.4Very low28.6Very low107 Ų107128.2 Ų128.257%0.57268%0.676SS**  trans66.155.5169.4-55.6-1.8000117I1291D1289-I1291 PolarHBondContact O-N 2.99Å
1290S22.1Very low27.9Very low126 Ų126129.8 Ų129.888%0.88169%0.689SS**  trans-78.989.9156.655.50000110.5
1291I22.1Very low27.1Very low118 Ų118131.5 Ų131.561%0.60571%0.705SS**  trans-76.7133.7-178.7-65.8173.9000111.2D1289D1289-I1291 PolarHBondContact O-N 2.99Å
1292N23.9Very low27.2Very low137 Ų137134.4 Ų134.473%0.73371%0.714SS**  trans-78.1142.9176-170.85.4000111.4
1293I23.9Very low28.1Very low137 Ų137133.4 Ų133.470%0.70370%0.704SS**  trans-122.478.9-173.3-48.5177.3000110.2
1294D24.5Very low29Very low146 Ų146134.3 Ų134.378%0.78169%0.693SS**  trans-130.9-1.8175.5-114.4-31.3000114.5
1295D23.5Very low30.5Very low159 Ų159134.9 Ų134.985%0.8569%0.685SS**  trans-114.668.3-172.4-127.2-31.8000113.6
1296L24.7Very low32.1Very low137 Ų137128.8 Ų128.872%0.71766%0.664SS**  trans-157.163.1156-139.272.8000116.4
1297K23.3Very low33.1Very low189 Ų189126.2 Ų126.282%0.82264%0.643SS**  trans-9844.4168.1-108.6-170.3-178.3-177.10113.6E585E585-K1297 IonicContact OE1-NZ 2.98Å
1298K25.3Very low35Very low189 Ų189123.4 Ų123.482%0.82262%0.622SS**SBendtrans-130.3128.8174.3-73.1-175.4-179.3170.90113.2S1300K1298-S1300 PolarHBondContact O-N 2.91Å
1299K24.6Very low36.1Very low221 Ų221123.9 Ų123.996%0.96162%0.62SS**  trans-67.7115.5-175-63.3175.6179.3177.20111.9
1300S29.8Very low37.4Very low71 Ų71123.4 Ų123.450%0.49762%0.616SS.*SBendtrans-160.5156156.356.40000108.1K1298 K1302K1298-S1300 PolarHBondContact O-N 2.91Å; S1300-K1302 PolarHBondContact O-N 2.99Å
1301D33.7Very low38.3Very low163 Ų163119.5 Ų119.587%0.87259%0.587SS**SBendtrans-7664.8-170.6-50.3-77.7000112.5
1302K43.5Very low39.2Very low140 Ų140119.6 Ų119.661%0.60960%0.598SS**  trans-112.8151.6-176.2-64.9-173.7-179.2-173.70111.6S1300 S1323S1300-K1302 PolarHBondContact O-N 2.99Å; K1302-S1323 PolarHBondContact O-OG 2.77Å
1303E55Low40.4Very low30 Ų30117.6 Ų117.614%0.1459%0.587CS.*  trans-76.2157.1167.3-29.7-176.789.400109.6L1320 R1333 T1346 T1347E1303-L1320 HydrophobicContact CB-CD2 4.2Å; E1303-R1333 IonicContact OE2-CZ 2.68Å; E1303-R1333 IonicContact OE2-NH1 3.19Å; E1303-R1333 PolarHBondContact OE2-NH1 3.46Å; E1303-R1333 IonicContact OE2-NH2 3.77Å; E1303-R1333 PolarHBondContact OE2-NH2 2.95Å; E1303-T1346 VanDerWaalsContact OE1-C 3.31Å; E1303-T1346 WeakPolarHBondContact OE1-CA 3.31Å; E1303-T1346 WeakPolarHBondContact OE1-CB 3.29Å; E1303-T1346 WeakPolarHBondContact OE1-CG2 3.43Å; E1303-T1347 HydrophobicContact CG-CG2 3.98Å; E1303-T1347 VanDerWaalsContact CG-OG1 3.31Å; E1303-T1347 WeakPolarHBondContact CG-OG1 3.3Å; E1303-T1347 PolarHBondContact OE1-N 3.17Å
1304Y53.3Low41.5Very low115 Ų115112.7 Ų112.745%0.45157%0.571SS.*EExtended strand (participates in β ladder)trans-124.6137.1173.853.4-80.4000111.2L1320 M1321Y1304-L1320 CarbonylContact O-C 3.47Å; Y1304-L1320 WeakPolarHBondContact O-CA 3.33Å; Y1304-M1321 HydrophobicContact CD1-CB 4.29Å; Y1304-M1321 HydrophobicContact CD2-CB 4Å; Y1304-M1321 HydrophobicContact CE1-CB 3.79Å; Y1304-M1321 HydrophobicContact CE2-CB 3.48Å; Y1304-M1321 VanDerWaalsContact CE2-CB 3.48Å; Y1304-M1321 HydrophobicContact CE2-CG 4.06Å; Y1304-M1321 HydrophobicContact CG-CB 4.38Å; Y1304-M1321 PolarHBondContact N-O 2.87Å; Y1304-M1321 PolarHBondContact O-N 3.13Å
1305E58.8Low42.9Very low75 Ų75106.8 Ų106.835%0.3554%0.539SS..EExtended strand (participates in β ladder)trans-79.6120.8-179.7-170.8169-177.500109.2R1308 Q1318 I1319 L1320E1305-R1308 WeakPolarHBondContact OE1-CB 3.49Å; E1305-R1308 IonicContact OE1-NE 3.62Å; E1305-R1308 PolarHBondContact OE1-NE 2.85Å; E1305-R1308 VanDerWaalsContact OE1-NE 3.16Å; E1305-R1308 IonicContact OE1-NH2 2.82Å; E1305-Q1318 HydrophobicContact CG-CB 4.25Å; E1305-Q1318 WeakPolarHBondContact OE1-CB 3.46Å; E1305-Q1318 VanDerWaalsContact OE1-CG 3.24Å; E1305-Q1318 WeakPolarHBondContact OE1-CG 3.39Å; E1305-Q1318 PolarHBondContact OE1-NE2 3.39Å; E1305-Q1318 PolarHBondContact OE2-NE2 2.7Å; E1305-I1319 CarbonylContact C-O 3.5Å; E1305-I1319 WeakPolarHBondContact CA-O 3.37Å; E1305-L1320 HydrophobicContact CB-CD2 4.01Å
1306V61.5Low44.6Very low65 Ų65100.3 Ų100.339%0.39451%0.505SS..EExtended strand (participates in β ladder)trans-81.5-45.4-179.4-178.80000110.4I1319 M1321V1306-I1319 HydrophobicContact CB-CB 4.48Å; V1306-I1319 HydrophobicContact CB-CG2 4.25Å; V1306-I1319 PolarHBondContact N-O 2.93Å; V1306-M1321 HydrophobicContact CG2-CB 4.1Å; V1306-M1321 HydrophobicContact CG2-CG 3.49Å; V1306-M1321 VanDerWaalsContact CG2-CG 3.49Å
1307T50.9Low46.3Very low62 Ų6295.6 Ų95.638%0.3848%0.48SS..EExtended strand (participates in β ladder)trans-158.3154.5179.537.80000109.9I1319T1307-I1319 PolarHBondContact N-O 3.24Å; T1307-I1319 PolarHBondContact O-N 3.13Å
1308R63.9Low48.1Very low106 Ų10687.4 Ų87.440%0.445%0.445SS..EExtended strand (participates in β ladder)trans-128145.1173.5100-164.1-45.5-1250.7111.1E1305 I1317 Q1318E1305-R1308 WeakPolarHBondContact OE1-CB 3.49Å; E1305-R1308 IonicContact OE1-NE 3.62Å; E1305-R1308 PolarHBondContact OE1-NE 2.85Å; E1305-R1308 VanDerWaalsContact OE1-NE 3.16Å; E1305-R1308 IonicContact OE1-NH2 2.82Å; R1308-I1317 CarbonylContact C-O 3.56Å; R1308-I1317 WeakPolarHBondContact CA-O 3.47Å; R1308-Q1318 VanDerWaalsContact NH2-NE2 3.18Å
1309F46.2Very low50.3Low109 Ų10980.4 Ų80.448%0.47842%0.416SS..EExtended strand (participates in β ladder)trans-128.8136.5176-53-87.5000108.8V1316 I1317 I1319F1309-V1316 CarbonylContact O-C 3.52Å; F1309-V1316 WeakPolarHBondContact O-CA 3.35Å; F1309-I1317 HydrophobicContact CB-CB 4.38Å; F1309-I1317 PolarHBondContact N-O 3.35Å; F1309-I1317 PolarHBondContact O-N 3.28Å; F1309-I1319 HydrophobicContact CE2-CD1 3.85Å; F1309-I1319 HydrophobicContact CE2-CG1 4.2Å
1310I51.8Low52.4Low97 Ų9770.2 Ų70.250%0.49737%0.372SS..EExtended strand (participates in β ladder)trans-114.5122.5174.1-54.4179.9000107.2I1315 V1316I1310-I1315 WeakPolarHBondContact CA-O 3.29Å; I1310-V1316 HydrophobicContact CG1-CG1 4.29Å; I1310-V1316 HydrophobicContact CG1-CG2 4.25Å
1311T40.9Very low53.9Low43 Ų4369.5 Ų69.526%0.26436%0.362SS..  trans-78.9161.8175.672.90000110.8D1313 G1314 I1315T1311-D1313 PolarHBondContact O-N 3.38Å; T1311-D1313 PolarHBondContact OG1-N 2.75Å; T1311-G1314 PolarHBondContact O-N 2.8Å; T1311-G1314 VanDerWaalsContact O-N 3.09Å; T1311-I1315 HydrophobicContact CG2-CB 4.17Å; T1311-I1315 PolarHBondContact N-O 2.82Å; T1311-I1315 WeakPolarHBondContact OG1-CB 3.4Å; T1311-I1315 PolarHBondContact OG1-N 2.85Å
1312S40.6Very low55Low121 Ų12162.8 Ų62.885%0.84633%0.327SS*.THydrogen-bonded Turntrans-55.3-20.217248.90000114
1313D48.9Very low55Low94 Ų9459 Ų5950%0.50332%0.318SS..THydrogen-bonded Turntrans-100.95.5-171-56.711.5000110.6T1311 P1337T1311-D1313 PolarHBondContact O-N 3.38Å; T1311-D1313 PolarHBondContact OG1-N 2.75Å; D1313-P1337 WeakPolarHBondContact O-CG 3.4Å
1314G47.8Very low54Low35 Ų3562.5 Ų62.536%0.36135%0.345SS..SBendtrans86.36.9174.600000115.5T1311T1311-G1314 PolarHBondContact O-N 2.8Å; T1311-G1314 VanDerWaalsContact O-N 3.09Å
1315I53.1Low53.1Low21 Ų2162.3 Ų62.311%0.10836%0.356CS..  trans-78.8127.2177.1-55.1172.3000108.7I1310 T1311 I1317 I1334 L1335 Y1336I1310-I1315 WeakPolarHBondContact CA-O 3.29Å; T1311-I1315 HydrophobicContact CG2-CB 4.17Å; T1311-I1315 PolarHBondContact N-O 2.82Å; T1311-I1315 WeakPolarHBondContact OG1-CB 3.4Å; T1311-I1315 PolarHBondContact OG1-N 2.85Å; I1315-I1317 HydrophobicContact CG2-CG1 4.29Å; I1315-I1334 HydrophobicContact CG2-CG2 3.36Å; I1315-L1335 CarbonylContact C-O 3.27Å; I1315-L1335 WeakPolarHBondContact CA-O 3.32Å; I1315-Y1336 HydrophobicContact CD1-CD1 4.13Å; I1315-Y1336 HydrophobicContact CD1-CE1 4.08Å; I1315-Y1336 HydrophobicContact CG1-CD1 4.13Å; I1315-Y1336 HydrophobicContact CG2-CD1 4.48Å
1316V59.1Low52.1Low23 Ų2364 Ų6414%0.13938%0.376CS..EExtended strand (participates in β ladder)trans-102.5113.7176.1-170.70000109.5F1309 I1310 Q1318 I1334 L1335F1309-V1316 CarbonylContact O-C 3.52Å; F1309-V1316 WeakPolarHBondContact O-CA 3.35Å; I1310-V1316 HydrophobicContact CG1-CG1 4.29Å; I1310-V1316 HydrophobicContact CG1-CG2 4.25Å; V1316-Q1318 HydrophobicContact CG1-CG 4.13Å; V1316-I1334 CarbonylContact O-C 3.53Å; V1316-I1334 WeakPolarHBondContact O-CA 3Å; V1316-L1335 HydrophobicContact CB-CB 4.14Å; V1316-L1335 HydrophobicContact CB-CD1 4.28Å; V1316-L1335 HydrophobicContact CB-CG 4.46Å; V1316-L1335 PolarHBondContact N-O 3.25Å; V1316-L1335 PolarHBondContact O-N 2.96Å
1317I59.7Low50.9Low38 Ų3866.8 Ų66.820%0.19539%0.393CS..EExtended strand (participates in β ladder)trans-99.8107.9176.1-56.7172.3000108.1R1308 F1309 I1315 I1332 I1334R1308-I1317 CarbonylContact C-O 3.56Å; R1308-I1317 WeakPolarHBondContact CA-O 3.47Å; F1309-I1317 HydrophobicContact CB-CB 4.38Å; F1309-I1317 PolarHBondContact N-O 3.35Å; F1309-I1317 PolarHBondContact O-N 3.28Å; I1315-I1317 HydrophobicContact CG2-CG1 4.29Å; I1317-I1332 HydrophobicContact CG2-CG2 4.06Å; I1317-I1334 HydrophobicContact CG1-CG1 4.3Å; I1317-I1334 HydrophobicContact CG1-CG2 4.28Å; I1317-I1334 HydrophobicContact CG2-CG1 4.37Å
1318Q62.8Low50.2Low18 Ų1868.5 Ų68.58%0.08441%0.414CS..EExtended strand (participates in β ladder)trans-96.4125.5174.2-47.7-172.1-76.900108.9E1305 R1308 V1316 I1332 R1333E1305-Q1318 HydrophobicContact CG-CB 4.25Å; E1305-Q1318 WeakPolarHBondContact OE1-CB 3.46Å; E1305-Q1318 VanDerWaalsContact OE1-CG 3.24Å; E1305-Q1318 WeakPolarHBondContact OE1-CG 3.39Å; E1305-Q1318 PolarHBondContact OE1-NE2 3.39Å; E1305-Q1318 PolarHBondContact OE2-NE2 2.7Å; R1308-Q1318 VanDerWaalsContact NH2-NE2 3.18Å; V1316-Q1318 HydrophobicContact CG1-CG 4.13Å; Q1318-I1332 CarbonylContact O-C 3.5Å; Q1318-I1332 WeakPolarHBondContact O-CA 3.36Å; Q1318-R1333 HydrophobicContact CB-CB 4.36Å; Q1318-R1333 WeakPolarHBondContact CB-O 3.35Å; Q1318-R1333 PolarHBondContact N-O 2.98Å; Q1318-R1333 PolarHBondContact O-N 3.39Å
1319I70.9Confident49.3Very low42 Ų4266.5 Ų66.522%0.21542%0.416CS..EExtended strand (participates in β ladder)trans-93.2128.8166-56.9-175.3000107E1305 V1306 T1307 F1309 C1330E1305-I1319 CarbonylContact C-O 3.5Å; E1305-I1319 WeakPolarHBondContact CA-O 3.37Å; V1306-I1319 HydrophobicContact CB-CB 4.48Å; V1306-I1319 HydrophobicContact CB-CG2 4.25Å; V1306-I1319 PolarHBondContact N-O 2.93Å; T1307-I1319 PolarHBondContact N-O 3.24Å; T1307-I1319 PolarHBondContact O-N 3.13Å; F1309-I1319 HydrophobicContact CE2-CD1 3.85Å; F1309-I1319 HydrophobicContact CE2-CG1 4.2Å; I1319-C1330 HydrophobicContact CG2-CB 3.96Å
1320L68.2Low49.7Very low6 Ų665 Ų653%0.03142%0.418CS..EExtended strand (participates in β ladder)trans-121.8158.8-174.4-71.5150.6000109.8E1303 Y1304 E1305 A1331 R1333 T1346E1303-L1320 HydrophobicContact CB-CD2 4.2Å; Y1304-L1320 CarbonylContact O-C 3.47Å; Y1304-L1320 WeakPolarHBondContact O-CA 3.33Å; E1305-L1320 HydrophobicContact CB-CD2 4.01Å; L1320-A1331 HydrophobicContact CB-CB 3.83Å; L1320-A1331 PolarHBondContact N-O 3.42Å; L1320-A1331 PolarHBondContact O-N 3.33Å; L1320-A1331 VanDerWaalsContact O-O 3.13Å; L1320-R1333 HydrophobicContact CD1-CB 3.53Å; L1320-T1346 HydrophobicContact CD1-CG2 3.66Å
1321M62.2Low50.3Low56 Ų5660.4 Ų60.428%0.27640%0.395SS..EExtended strand (participates in β ladder)trans-119.5119.1168.4-85.9-74.5-6900109.8Y1304 V1306Y1304-M1321 HydrophobicContact CD1-CB 4.29Å; Y1304-M1321 HydrophobicContact CD2-CB 4Å; Y1304-M1321 HydrophobicContact CE1-CB 3.79Å; Y1304-M1321 HydrophobicContact CE2-CB 3.48Å; Y1304-M1321 VanDerWaalsContact CE2-CB 3.48Å; Y1304-M1321 HydrophobicContact CE2-CG 4.06Å; Y1304-M1321 HydrophobicContact CG-CB 4.38Å; Y1304-M1321 PolarHBondContact N-O 2.87Å; Y1304-M1321 PolarHBondContact O-N 3.13Å; V1306-M1321 HydrophobicContact CG2-CB 4.1Å; V1306-M1321 HydrophobicContact CG2-CG 3.49Å; V1306-M1321 VanDerWaalsContact CG2-CG 3.49Å
1322P56.3Low51.2Low22 Ų2261.8 Ų61.814%0.14340%0.4CS..  trans-70.5134.5171.430-31.8000109C1324P1322-C1324 VanDerWaalsContact C-N 3.31Å; P1322-C1324 PolarHBondContact O-N 2.8Å
1323S43.1Very low52.8Low61 Ų6158 Ų5843%0.42737%0.367SS..SBendtrans-84.10.7-169.339.80000114.7K1302K1302-S1323 PolarHBondContact O-OG 2.77Å
1324C34.7Very low53.8Low104 Ų10455.1 Ų55.170%0.70335%0.351SS*.SBendtrans-149.5149.2171.1-88.10000111.6P1322P1322-C1324 VanDerWaalsContact C-N 3.31Å; P1322-C1324 PolarHBondContact O-N 2.8Å
1325T33.7Very low54.5Low111 Ų11155.7 Ų55.768%0.68135%0.346SS*.SBendtrans80.4133.1-178.780.50000118.3
1326S37.9Very low54.9Low109 Ų10957.6 Ų57.676%0.76235%0.352SS*.SBendtrans58.2158171.4-149.50000119.8
1327T35.8Very low54.7Low124 Ų12460.9 Ų60.976%0.76137%0.374SS*.SBendtrans-89.6118.9-177.651.60000111.8
1328A36.7Very low55.1Low99 Ų9965.4 Ų65.482%0.81840%0.398SS*.SBendtrans68.234.216500000117.9
1329S45.4Very low54.3Low64 Ų6467.5 Ų67.545%0.44843%0.425SS..  trans-97.999.2162.256.60000111.7
1330C53.5Low53.5Low78 Ų7867.7 Ų67.753%0.52743%0.432SS..  trans-64.8134.2165-53.50000109.5I1319I1319-C1330 HydrophobicContact CG2-CB 3.96Å
1331A65.1Low53.3Low0 Ų072.2 Ų72.20%046%0.456CS..EExtended strand (participates in β ladder)trans-80.3159167.500000110.4L1320 R1344 G1345 T1346L1320-A1331 HydrophobicContact CB-CB 3.83Å; L1320-A1331 PolarHBondContact N-O 3.42Å; L1320-A1331 PolarHBondContact O-N 3.33Å; L1320-A1331 VanDerWaalsContact O-O 3.13Å; A1331-R1344 CarbonylContact C-O 3.56Å; A1331-R1344 VanDerWaalsContact CA-O 3.29Å; A1331-R1344 WeakPolarHBondContact CA-O 3.37Å; A1331-G1345 VanDerWaalsContact CB-C 3.44Å; A1331-G1345 WeakPolarHBondContact CB-O 3.03Å; A1331-T1346 HydrophobicContact CB-CG2 3.9Å
1332I59.9Low52.9Low71 Ų7173.6 Ų73.636%0.36446%0.463SS..EExtended strand (participates in β ladder)trans-137.9135.1176-56.2179000108.6I1317 Q1318 I1334 E1343 R1344I1317-I1332 HydrophobicContact CG2-CG2 4.06Å; Q1318-I1332 CarbonylContact O-C 3.5Å; Q1318-I1332 WeakPolarHBondContact O-CA 3.36Å; I1332-I1334 HydrophobicContact CG2-CG1 4Å; I1332-E1343 CarbonylContact O-C 3.54Å; I1332-E1343 VanDerWaalsContact O-CA 3.25Å; I1332-E1343 WeakPolarHBondContact O-CA 3.38Å; I1332-R1344 PolarHBondContact N-O 3.15Å; I1332-R1344 PolarHBondContact O-N 2.82Å
1333R74.7Confident53.5Low42 Ų4274.8 Ų74.816%0.15847%0.466CS..EExtended strand (participates in β ladder)trans-125.2117.7170.8177178.1-64.9127.92.3109E1303 Q1318 L1320 L1335 I1341 E1343 T1346E1303-R1333 IonicContact OE2-CZ 2.68Å; E1303-R1333 IonicContact OE2-NH1 3.19Å; E1303-R1333 PolarHBondContact OE2-NH1 3.46Å; E1303-R1333 IonicContact OE2-NH2 3.77Å; E1303-R1333 PolarHBondContact OE2-NH2 2.95Å; Q1318-R1333 HydrophobicContact CB-CB 4.36Å; Q1318-R1333 WeakPolarHBondContact CB-O 3.35Å; Q1318-R1333 PolarHBondContact N-O 2.98Å; Q1318-R1333 PolarHBondContact O-N 3.39Å; L1320-R1333 HydrophobicContact CD1-CB 3.53Å; R1333-L1335 HydrophobicContact CG-CD2 3.95Å; R1333-I1341 HydrophobicContact CG-CG2 3.86Å; R1333-E1343 HydrophobicContact CB-CB 4.03Å; R1333-E1343 HydrophobicContact CG-CB 4.12Å; R1333-E1343 IonicContact CZ-OE2 2.71Å; R1333-E1343 VanDerWaalsContact CZ-OE2 3.24Å; R1333-E1343 IonicContact NE-OE2 3.15Å; R1333-E1343 PolarHBondContact NE-OE2 2.7Å; R1333-E1343 IonicContact NH2-OE2 3.65Å; R1333-E1343 PolarHBondContact NH2-OE2 2.72Å; R1333-T1346 HydrophobicContact CB-CG2 4.47Å
1334I69Low54.1Low33 Ų3381.8 Ų81.817%0.16948%0.483CS..EExtended strand (participates in β ladder)trans-103.5122177-53.6-178.2000107.9I1315 V1316 I1317 I1332 Y1336 I1341 M1342I1315-I1334 HydrophobicContact CG2-CG2 3.36Å; V1316-I1334 CarbonylContact O-C 3.53Å; V1316-I1334 WeakPolarHBondContact O-CA 3Å; I1317-I1334 HydrophobicContact CG1-CG1 4.3Å; I1317-I1334 HydrophobicContact CG1-CG2 4.28Å; I1317-I1334 HydrophobicContact CG2-CG1 4.37Å; I1332-I1334 HydrophobicContact CG2-CG1 4Å; I1334-Y1336 HydrophobicContact CB-CE2 4.24Å; I1334-Y1336 HydrophobicContact CG2-CD2 4.18Å; I1334-Y1336 HydrophobicContact CG2-CE2 3.69Å; I1334-I1341 WeakPolarHBondContact O-CA 3.45Å; I1334-M1342 HydrophobicContact CB-CB 4.36Å; I1334-M1342 HydrophobicContact CD1-SD 4.5Å; I1334-M1342 PolarHBondContact N-O 3.21Å; I1334-M1342 PolarHBondContact O-N 2.8Å
1335L63.5Low55.5Low48 Ų4878 Ų7825%0.25146%0.461SS..EExtended strand (participates in β ladder)trans-102.6125.3173.7-47.6173.8000108.3I1315 V1316 R1333 I1341I1315-L1335 CarbonylContact C-O 3.27Å; I1315-L1335 WeakPolarHBondContact CA-O 3.32Å; V1316-L1335 HydrophobicContact CB-CB 4.14Å; V1316-L1335 HydrophobicContact CB-CD1 4.28Å; V1316-L1335 HydrophobicContact CB-CG 4.46Å; V1316-L1335 PolarHBondContact N-O 3.25Å; V1316-L1335 PolarHBondContact O-N 2.96Å; R1333-L1335 HydrophobicContact CG-CD2 3.95Å; L1335-I1341 HydrophobicContact CD2-CB 4.37Å; L1335-I1341 HydrophobicContact CD2-CD1 3.93Å; L1335-I1341 HydrophobicContact CD2-CG1 3.75Å; L1335-I1341 HydrophobicContact CD2-CG2 4.01Å
1336Y61Low57.4Low60 Ų6072.7 Ų72.724%0.23543%0.429CS..PPolyproline II helixtrans-95.4155.7178.1-69.4-94.9000111.4I1315 I1334 D1338 G1339 A1340 M1342I1315-Y1336 HydrophobicContact CD1-CD1 4.13Å; I1315-Y1336 HydrophobicContact CD1-CE1 4.08Å; I1315-Y1336 HydrophobicContact CG1-CD1 4.13Å; I1315-Y1336 HydrophobicContact CG2-CD1 4.48Å; I1334-Y1336 HydrophobicContact CB-CE2 4.24Å; I1334-Y1336 HydrophobicContact CG2-CD2 4.18Å; I1334-Y1336 HydrophobicContact CG2-CE2 3.69Å; Y1336-D1338 WeakPolarHBondContact CB-OD1 3.14Å; Y1336-D1338 PolarHBondContact O-N 2.75Å; Y1336-D1338 VanDerWaalsContact O-N 3.1Å; Y1336-G1339 PolarHBondContact O-N 2.98Å; Y1336-A1340 HydrophobicContact CD2-CB 4.23Å; Y1336-A1340 HydrophobicContact CG-CB 4.5Å; Y1336-A1340 PolarHBondContact N-O 3.03Å; Y1336-M1342 HydrophobicContact CE2-CB 3.96Å; Y1336-M1342 HydrophobicContact CE2-CE 4.27Å; Y1336-M1342 WeakPolarHBondContact OH-CE 3.33Å
1337P54.3Low58.6Low92 Ų9269.7 Ų69.760%0.59741%0.406SS*.THydrogen-bonded Turntrans-60.9-19.1-178.2-23.131.3000115.6D1313 G1339D1313-P1337 WeakPolarHBondContact O-CG 3.4Å; P1337-G1339 VanDerWaalsContact C-N 3.34Å
1338D69.1Low60.1Low134 Ų13466.8 Ų66.872%0.71739%0.388SS*.THydrogen-bonded Turntrans-86.9-3176.963.4-5.5000113.4Y1336 A1340Y1336-D1338 WeakPolarHBondContact CB-OD1 3.14Å; Y1336-D1338 PolarHBondContact O-N 2.75Å; Y1336-D1338 VanDerWaalsContact O-N 3.1Å; D1338-A1340 VanDerWaalsContact OD1-CB 3.31Å; D1338-A1340 WeakPolarHBondContact OD1-CB 3.5Å; D1338-A1340 PolarHBondContact OD1-N 2.85Å
1339G45.9Very low61.2Low62 Ų6262.6 Ų62.664%0.63935%0.353SS*.SBendtrans90.62.6-176.500000114.6Y1336 P1337Y1336-G1339 PolarHBondContact O-N 2.98Å; P1337-G1339 VanDerWaalsContact C-N 3.34Å
1340A53.8Low61.8Low45 Ų4562.4 Ų62.437%0.37235%0.346SS..  trans-67.6144.2172.300000111.2Y1336 D1338Y1336-A1340 HydrophobicContact CD2-CB 4.23Å; Y1336-A1340 HydrophobicContact CG-CB 4.5Å; Y1336-A1340 PolarHBondContact N-O 3.03Å; D1338-A1340 VanDerWaalsContact OD1-CB 3.31Å; D1338-A1340 WeakPolarHBondContact OD1-CB 3.5Å; D1338-A1340 PolarHBondContact OD1-N 2.85Å
1341I64.5Low61.8Low101 Ų10162.9 Ų62.952%0.51834%0.34SS..EExtended strand (participates in β ladder)trans-123.3123.2179.6-55-175.1000108.5R1333 I1334 L1335 E1343R1333-I1341 HydrophobicContact CG-CG2 3.86Å; I1334-I1341 WeakPolarHBondContact O-CA 3.45Å; L1335-I1341 HydrophobicContact CD2-CB 4.37Å; L1335-I1341 HydrophobicContact CD2-CD1 3.93Å; L1335-I1341 HydrophobicContact CD2-CG1 3.75Å; L1335-I1341 HydrophobicContact CD2-CG2 4.01Å; I1341-E1343 HydrophobicContact CG2-CG 4.26Å
1342M53.3Low61Low86 Ų8667.5 Ų67.542%0.42436%0.364SS..EExtended strand (participates in β ladder)trans-115109.5171.5-177.8-167.1-61.600108.8I1334 Y1336I1334-M1342 HydrophobicContact CB-CB 4.36Å; I1334-M1342 HydrophobicContact CD1-SD 4.5Å; I1334-M1342 PolarHBondContact N-O 3.21Å; I1334-M1342 PolarHBondContact O-N 2.8Å; Y1336-M1342 HydrophobicContact CE2-CB 3.96Å; Y1336-M1342 HydrophobicContact CE2-CE 4.27Å; Y1336-M1342 WeakPolarHBondContact OH-CE 3.33Å
1343E68.3Low60.6Low47 Ų4769.2 Ų69.222%0.2237%0.366CS..EExtended strand (participates in β ladder)trans-126.6145-17853.3178156.900113.7I1332 R1333 I1341 T1346 V1348 A1349I1332-E1343 CarbonylContact O-C 3.54Å; I1332-E1343 VanDerWaalsContact O-CA 3.25Å; I1332-E1343 WeakPolarHBondContact O-CA 3.38Å; R1333-E1343 HydrophobicContact CB-CB 4.03Å; R1333-E1343 HydrophobicContact CG-CB 4.12Å; R1333-E1343 IonicContact CZ-OE2 2.71Å; R1333-E1343 VanDerWaalsContact CZ-OE2 3.24Å; R1333-E1343 IonicContact NE-OE2 3.15Å; R1333-E1343 PolarHBondContact NE-OE2 2.7Å; R1333-E1343 IonicContact NH2-OE2 3.65Å; R1333-E1343 PolarHBondContact NH2-OE2 2.72Å; I1341-E1343 HydrophobicContact CG2-CG 4.26Å; E1343-T1346 HydrophobicContact CB-CG2 3.97Å; E1343-T1346 VanDerWaalsContact CD-OG1 3.27Å; E1343-T1346 WeakPolarHBondContact OE2-CB 3.21Å; E1343-T1346 WeakPolarHBondContact OE2-CG2 3.39Å; E1343-T1346 PolarHBondContact OE2-OG1 3.27Å; E1343-V1348 WeakPolarHBondContact OE1-CG1 3.46Å; E1343-A1349 HydrophobicContact CG-CB 4.25Å
1344R56.5Low59.1Low207 Ų20773.2 Ų73.278%0.78138%0.381SS*.EExtended strand (participates in β ladder)trans-145.2131.5-173.9-159.3179.9-166.3-150.32.7110.7A1331 I1332 T1346A1331-R1344 CarbonylContact C-O 3.56Å; A1331-R1344 VanDerWaalsContact CA-O 3.29Å; A1331-R1344 WeakPolarHBondContact CA-O 3.37Å; I1332-R1344 PolarHBondContact N-O 3.15Å; I1332-R1344 PolarHBondContact O-N 2.82Å; R1344-T1346 PolarHBondContact O-N 2.75Å
1345G64.3Low58Low24 Ų2477.6 Ų77.625%0.24741%0.405CS..SBendtrans72.7-2.1-173.700000114.4A1331A1331-G1345 VanDerWaalsContact CB-C 3.44Å; A1331-G1345 WeakPolarHBondContact CB-O 3.03Å
1346T71.8Confident57Low0 Ų082.7 Ų82.70%043%0.427CS..SBendtrans-72.4153176.557.70000111.2E1303 L1320 A1331 R1333 E1343 R1344 V1348 A1349 E1350E1303-T1346 VanDerWaalsContact OE1-C 3.31Å; E1303-T1346 WeakPolarHBondContact OE1-CA 3.31Å; E1303-T1346 WeakPolarHBondContact OE1-CB 3.29Å; E1303-T1346 WeakPolarHBondContact OE1-CG2 3.43Å; L1320-T1346 HydrophobicContact CD1-CG2 3.66Å; A1331-T1346 HydrophobicContact CB-CG2 3.9Å; R1333-T1346 HydrophobicContact CB-CG2 4.47Å; E1343-T1346 HydrophobicContact CB-CG2 3.97Å; E1343-T1346 VanDerWaalsContact CD-OG1 3.27Å; E1343-T1346 WeakPolarHBondContact OE2-CB 3.21Å; E1343-T1346 WeakPolarHBondContact OE2-CG2 3.39Å; E1343-T1346 PolarHBondContact OE2-OG1 3.27Å; R1344-T1346 PolarHBondContact O-N 2.75Å; T1346-V1348 PolarHBondContact O-N 3.11Å; T1346-A1349 CarbonylContact O-C 3.57Å; T1346-A1349 PolarHBondContact O-N 2.96Å; T1346-A1349 WeakPolarHBondContact OG1-CB 3.43Å; T1346-A1349 PolarHBondContact OG1-N 3.41Å; T1346-A1349 VanDerWaalsContact OG1-N 3.13Å; T1346-E1350 PolarHBondContact O-N 2.81Å
1347T63.7Low55.7Low47 Ų4782.5 Ų82.529%0.28843%0.431SS..Hα-helixtrans-57.4-37.7175.256.30000111E1303 E1350 E1351E1303-T1347 HydrophobicContact CG-CG2 3.98Å; E1303-T1347 VanDerWaalsContact CG-OG1 3.31Å; E1303-T1347 WeakPolarHBondContact CG-OG1 3.3Å; E1303-T1347 PolarHBondContact OE1-N 3.17Å; T1347-E1350 PolarHBondContact O-N 2.98Å; T1347-E1351 VanDerWaalsContact O-CB 3.3Å; T1347-E1351 WeakPolarHBondContact O-CB 3.31Å; T1347-E1351 PolarHBondContact O-N 3.33Å
1348V66.7Low54.7Low63 Ų6382.7 Ų82.738%0.38243%0.432SS..Hα-helixtrans-62.9-43.6173.6-175.80000111.7E1343 T1346 E1350 E1351 L1352E1343-V1348 WeakPolarHBondContact OE1-CG1 3.46Å; T1346-V1348 PolarHBondContact O-N 3.11Å; V1348-E1350 VanDerWaalsContact C-N 3.32Å; V1348-E1350 PolarHBondContact O-N 3.11Å; V1348-E1351 PolarHBondContact O-N 2.86Å; V1348-L1352 HydrophobicContact CG1-CD1 4.11Å; V1348-L1352 WeakPolarHBondContact O-CB 3.4Å; V1348-L1352 WeakPolarHBondContact O-CG 3.31Å; V1348-L1352 PolarHBondContact O-N 2.89Å
1349A59.9Low53.1Low10 Ų1085.2 Ų85.28%0.08344%0.439CS..Hα-helixtrans-69.1-26.6176.200000113.6E1343 T1346 R1353E1343-A1349 HydrophobicContact CG-CB 4.25Å; T1346-A1349 CarbonylContact O-C 3.57Å; T1346-A1349 PolarHBondContact O-N 2.96Å; T1346-A1349 WeakPolarHBondContact OG1-CB 3.43Å; T1346-A1349 PolarHBondContact OG1-N 3.41Å; T1346-A1349 VanDerWaalsContact OG1-N 3.13Å; A1349-R1353 WeakPolarHBondContact O-CB 3.22Å; A1349-R1353 PolarHBondContact O-N 3.04Å; A1349-R1353 PolarHBondContact O-NE 2.8Å; A1349-R1353 VanDerWaalsContact O-NE 3.16Å; A1349-R1353 PolarHBondContact O-NH2 2.92Å; A1349-R1353 VanDerWaalsContact O-NH2 3.16Å
1350E57.9Low52.5Low61 Ų6191 Ų9129%0.28545%0.447SS..Hα-helixtrans-77.5-39.3169.9-66.5-54.8141.900111.8T1346 T1347 V1348 R1353 R1354T1346-E1350 PolarHBondContact O-N 2.81Å; T1347-E1350 PolarHBondContact O-N 2.98Å; V1348-E1350 VanDerWaalsContact C-N 3.32Å; V1348-E1350 PolarHBondContact O-N 3.11Å; E1350-R1353 VanDerWaalsContact CD-NH2 3.26Å; E1350-R1353 CarbonylContact O-C 3.51Å; E1350-R1353 PolarHBondContact O-N 3.05Å; E1350-R1353 IonicContact OE1-CZ 3.7Å; E1350-R1353 IonicContact OE1-NH1 2.71Å; E1350-R1353 PolarHBondContact OE1-NH1 2.99Å; E1350-R1353 IonicContact OE1-NH2 3.57Å; E1350-R1353 PolarHBondContact OE1-NH2 2.91Å; E1350-R1353 IonicContact OE2-CZ 2.8Å; E1350-R1353 IonicContact OE2-NH1 2.65Å; E1350-R1353 PolarHBondContact OE2-NH1 2.92Å; E1350-R1353 IonicContact OE2-NH2 3.33Å; E1350-R1354 WeakPolarHBondContact O-CB 3.3Å; E1350-R1354 WeakPolarHBondContact O-CG 3.29Å; E1350-R1354 PolarHBondContact O-N 2.94Å
1351E55.5Low51.3Low88 Ų8894.5 Ų94.541%0.41146%0.464SS..Hα-helixtrans-65.4-43.3178.2-148.965.3-141.700110.7T1347 V1348 R1354 N1355T1347-E1351 VanDerWaalsContact O-CB 3.3Å; T1347-E1351 WeakPolarHBondContact O-CB 3.31Å; T1347-E1351 PolarHBondContact O-N 3.33Å; V1348-E1351 PolarHBondContact O-N 2.86Å; E1351-R1354 PolarHBondContact O-N 3.38Å; E1351-R1354 IonicContact OE1-NH1 3.19Å; E1351-R1354 PolarHBondContact OE1-NH1 2.87Å; E1351-R1354 IonicContact OE2-CZ 2.72Å; E1351-R1354 IonicContact OE2-NH1 2.83Å; E1351-R1354 PolarHBondContact OE2-NH1 2.86Å; E1351-R1354 IonicContact OE2-NH2 3.87Å; E1351-R1354 PolarHBondContact OE2-NH2 3.28Å; E1351-N1355 WeakPolarHBondContact O-CB 3.32Å; E1351-N1355 VanDerWaalsContact O-CG 3.25Å; E1351-N1355 PolarHBondContact O-N 2.97Å; E1351-N1355 PolarHBondContact O-ND2 2.87Å; E1351-N1355 VanDerWaalsContact O-ND2 3.08Å
1352L47.1Very low49.5Very low97 Ų9798.1 Ų98.151%0.50848%0.483SS..Hα-helixtrans-59.8-48.5171.4-74.8166.6000111.1V1348 R1354 N1355 E1356V1348-L1352 HydrophobicContact CG1-CD1 4.11Å; V1348-L1352 WeakPolarHBondContact O-CB 3.4Å; V1348-L1352 WeakPolarHBondContact O-CG 3.31Å; V1348-L1352 PolarHBondContact O-N 2.89Å; L1352-R1354 VanDerWaalsContact C-N 3.29Å; L1352-R1354 PolarHBondContact O-N 3.27Å; L1352-N1355 PolarHBondContact O-N 3.48Å; L1352-E1356 WeakPolarHBondContact O-CG 3.42Å; L1352-E1356 PolarHBondContact O-N 3.36Å
1353R50.7Low48.1Very low106 Ų106100.8 Ų100.840%0.450%0.499SS..Hα-helixtrans-65.3-26.7176.6-95.1179.5-72.4122.52.6114.1A1349 E1350 N1357A1349-R1353 WeakPolarHBondContact O-CB 3.22Å; A1349-R1353 PolarHBondContact O-N 3.04Å; A1349-R1353 PolarHBondContact O-NE 2.8Å; A1349-R1353 VanDerWaalsContact O-NE 3.16Å; A1349-R1353 PolarHBondContact O-NH2 2.92Å; A1349-R1353 VanDerWaalsContact O-NH2 3.16Å; E1350-R1353 VanDerWaalsContact CD-NH2 3.26Å; E1350-R1353 CarbonylContact O-C 3.51Å; E1350-R1353 PolarHBondContact O-N 3.05Å; E1350-R1353 IonicContact OE1-CZ 3.7Å; E1350-R1353 IonicContact OE1-NH1 2.71Å; E1350-R1353 PolarHBondContact OE1-NH1 2.99Å; E1350-R1353 IonicContact OE1-NH2 3.57Å; E1350-R1353 PolarHBondContact OE1-NH2 2.91Å; E1350-R1353 IonicContact OE2-CZ 2.8Å; E1350-R1353 IonicContact OE2-NH1 2.65Å; E1350-R1353 PolarHBondContact OE2-NH1 2.92Å; E1350-R1353 IonicContact OE2-NH2 3.33Å; R1353-N1357 PolarHBondContact O-ND2 2.75Å
1354R44.2Very low46Very low127 Ų127106 Ų10648%0.47953%0.528SS..Hα-helixtrans-77.8-40.2172.2-79.2-176.1-87.1103.52.1111.8E1350 E1351 L1352 N1357E1350-R1354 WeakPolarHBondContact O-CB 3.3Å; E1350-R1354 WeakPolarHBondContact O-CG 3.29Å; E1350-R1354 PolarHBondContact O-N 2.94Å; E1351-R1354 PolarHBondContact O-N 3.38Å; E1351-R1354 IonicContact OE1-NH1 3.19Å; E1351-R1354 PolarHBondContact OE1-NH1 2.87Å; E1351-R1354 IonicContact OE2-CZ 2.72Å; E1351-R1354 IonicContact OE2-NH1 2.83Å; E1351-R1354 PolarHBondContact OE2-NH1 2.86Å; E1351-R1354 IonicContact OE2-NH2 3.87Å; E1351-R1354 PolarHBondContact OE2-NH2 3.28Å; L1352-R1354 VanDerWaalsContact C-N 3.29Å; L1352-R1354 PolarHBondContact O-N 3.27Å; R1354-N1357 PolarHBondContact O-N 2.85Å
1355N45.7Very low44.5Very low125 Ų125101.7 Ų101.767%0.66853%0.527SS*.Hα-helixtrans-72.8-27.9178.6-71-35.5000113.7E1351 L1352 N1357E1351-N1355 WeakPolarHBondContact O-CB 3.32Å; E1351-N1355 VanDerWaalsContact O-CG 3.25Å; E1351-N1355 PolarHBondContact O-N 2.97Å; E1351-N1355 PolarHBondContact O-ND2 2.87Å; E1351-N1355 VanDerWaalsContact O-ND2 3.08Å; L1352-N1355 PolarHBondContact O-N 3.48Å; N1355-N1357 VanDerWaalsContact C-N 3.27Å
1356E42.7Very low42.4Very low154 Ų154110 Ų11072%0.7256%0.56SS**THydrogen-bonded Turntrans-77.4-8.6170.6-70.5-167.5154.700113.7L1352 P1358L1352-E1356 WeakPolarHBondContact O-CG 3.42Å; L1352-E1356 PolarHBondContact O-N 3.36Å; E1356-P1358 WeakPolarHBondContact O-CD 3.48Å
1357N34Very low40Very low57 Ų57119.1 Ų119.131%0.30560%0.603SS.*SBendtrans-100.5105.7177.7-92.3-68.5000111.5R1353 R1354 N1355R1353-N1357 PolarHBondContact O-ND2 2.75Å; R1354-N1357 PolarHBondContact O-N 2.85Å; N1355-N1357 VanDerWaalsContact C-N 3.27Å
1358P34Very low38.1Very low95 Ų95124.6 Ų124.662%0.61763%0.625SS**  trans-67.3137.1176.928.5-34.5000111.3E1356 F1360E1356-P1358 WeakPolarHBondContact O-CD 3.48Å; P1358-F1360 WeakPolarHBondContact O-CD2 3.42Å; P1358-F1360 WeakPolarHBondContact O-CE2 3.48Å
1359Q34.2Very low36Very low187 Ų187128.7 Ų128.787%0.87464%0.638SS**  trans-72.9130.1-179.8-66.3-165.81.600112.3
1360F34.3Very low34.1Very low185 Ų185136.4 Ų136.481%0.81167%0.672SS**  trans-89107.9179.3-63.5-89.3000111.1P1358P1358-F1360 WeakPolarHBondContact O-CD2 3.42Å; P1358-F1360 WeakPolarHBondContact O-CE2 3.48Å
1361T28.4Very low32.5Very low117 Ų117143 Ų14372%0.71870%0.703SS**  trans-89113.8174.342.10000111.6N1363T1361-N1363 PolarHBondContact O-N 3.08Å
1362L26.1Very low30.8Very low177 Ų177147.7 Ų147.793%0.92773%0.725SS**  trans-79.280.5-178.1-170.274.2000111.4
1363N25Very low29.5Very low143 Ų143150.5 Ų150.577%0.76574%0.738SS**PPolyproline II helixtrans-77128.7177.3-77-25.7000112.1T1361T1361-N1363 PolarHBondContact O-N 3.08Å
1364N22.9Very low28.1Very low155 Ų155150.9 Ų150.983%0.82975%0.753SS**PPolyproline II helixtrans-74.9138.1-177.6-137.14.7000110.7
1365P24.8Very low27Very low117 Ų117152 Ų15276%0.7677%0.767SS**PPolyproline II helixtrans-78.4141.6-171.731-34.3000112.9
1366Q20.6Very low25.8Very low198 Ų198154.9 Ų154.993%0.92578%0.776SS**  trans-114.1149.7162.2-66.6-161.7-83.700110.2
1367E22.2Very low24.8Very low193 Ų193153 Ų15390%0.90278%0.78SS**  trans-76.4133.7-176.3-51.2163.9110.700111.7
1368E23.5Very low24.1Very low162 Ų162159.4 Ų159.476%0.75781%0.808SS**  trans-150.1107.7147.4-131.3174.3-171.500116.4
1369K21.6Very low23.7Very low149 Ų149160.4 Ų160.465%0.64881%0.814SS**  trans43.9117138-60.6172.2-163.4136.20121.1
1370Q20.6Very low23Very low171 Ų171156.6 Ų156.680%0.79982%0.815SS**  49.5105.6118.5-58.1168.7-25.700118.9
1371Q24.2Very low22.3Very low201 Ų201153.7 Ų153.794%0.93981%0.812SS**  -162.2101.3116.3-109.1164.138.300112.6
1372E19.9Very low22Very low185 Ų185153.8 Ų153.886%0.86481%0.813SS**  trans-79.8125.2168.4172.1-168.1-177.700109.5
1373I21Very low21.8Very low156 Ų156151.3 Ų151.380%0.881%0.81SS**  trans-165.4127.9158.7-111.3154.7000113.7
1374T20.8Very low21.9Very low114 Ų114149.1 Ų149.170%0.69981%0.812SS**  trans48.6101.4151.2-48.10000120.2Q1376T1374-Q1376 HydrophobicContact CG2-CG 4.35Å
1375I21.4Very low22Very low151 Ų151149.5 Ų149.577%0.77481%0.813SS**  trans-75.8125.5152.3-61.4167.2000109.5
1376Q19.9Very low21.8Very low185 Ų185152.3 Ų152.386%0.86482%0.816SS**  trans-137.4127.5149.1-78.8-160.9-19.600109.9T1374T1374-Q1376 HydrophobicContact CG2-CG 4.35Å
1377S20.7Very low22.2Very low114 Ų114149.9 Ų149.980%0.79782%0.815SS**  trans-111.6120.6-174.556.10000111.5
1378E20.1Very low22.6Very low192 Ų192147.6 Ų147.690%0.89781%0.809SS**  trans-146.6133.2160.4-161.6165.5-151.600110.1
1379P24.7Very low22.7Very low116 Ų116147.9 Ų147.975%0.75382%0.815SS**  trans-89.2119.7-167.232.7-34000113.7
1380A19.9Very low23.2Very low108 Ų108148.3 Ų148.389%0.89382%0.824SS**  trans-89.1107.8173.200000111.8
1381V20.9Very low23.5Very low123 Ų123148 Ų14875%0.74582%0.822SS**  trans-91.7124.3-175.4169.80000112.5
1382T22Very low23.3Very low120 Ų120142.8 Ų142.874%0.73681%0.809SS**  trans23.1106.5160.962.80000119.5A1384T1382-A1384 PolarHBondContact O-N 3Å
1383S21.8Very low23.3Very low124 Ų124139.7 Ų139.787%0.86780%0.802SS**  trans-83.395.7157.1-74.60000111.2L1385S1383-L1385 PolarHBondContact O-N 2.96Å
1384A26Very low23.2Very low97 Ų97141.1 Ų141.180%0.80280%0.803SS**  trans-96.678.4170.800000111.3T1382T1382-A1384 PolarHBondContact O-N 3Å
1385L25Very low23.1Very low163 Ų163140.7 Ų140.785%0.85380%0.804SS**  trans-113.6133.8163-65.5164.9000105.5S1383S1383-L1385 PolarHBondContact O-N 2.96Å
1386Q22Very low23.1Very low176 Ų176138.5 Ų138.582%0.82280%0.802SS**  cis-153.3108.744.7177.2-175.333.400112
1387V27.7Very low23.2Very low147 Ų147134.9 Ų134.989%0.89180%0.798SS**  trans-140.8144.7163.5-176.30000108.6
1388N31Very low23.3Very low145 Ų145138.6 Ų138.678%0.77579%0.794SS**  trans-98.9155-169-72.4-29.2000114.8
1389N25.4Very low23.4Very low169 Ų169138.9 Ų138.990%0.90479%0.787SS**  trans-67.3126.1166.6-111.5-40.1000111.7
1390L31.2Very low23.2Very low158 Ų158143 Ų14383%0.82779%0.793SS**  trans-155.4157.2159-160.753.9000114.2
1391Q27.3Very low23.2Very low163 Ų163143.4 Ų143.476%0.76279%0.789SS**  trans-46.1151.7174.1-72.9164.1-6.600115.1
1392S20.6Very low23.3Very low93 Ų93142.2 Ų142.265%0.6579%0.786SS**  cis98.1142.837.9100.30000116
1393T19.9Very low23.3Very low119 Ų119147.4 Ų147.473%0.7379%0.793SS**  trans77.2134.7170.370.50000121.5
1394K18.4Very low23.6Very low187 Ų187153 Ų15381%0.81379%0.794SS**  trans61.598.4143.3-71.6172.7-177.3176.70118.6
1395S19.3Very low23.5Very low105 Ų105156.5 Ų156.573%0.73479%0.792SS**  77.1110.193.374.20000113.9
1396S21.5Very low23.5Very low104 Ų104155.2 Ų155.273%0.72778%0.784SS**  113.7140.673.9173.10000108.8
1397S22.3Very low23.6Very low110 Ų110153.3 Ų153.377%0.76978%0.775SS**  trans69.8151168.5-66.10000116.8
1398R22.1Very low23.4Very low192 Ų192152.8 Ų152.873%0.72576%0.763SS**  cis-177.6135.3-11.4165.7-171.8-156.9-164.412110.5
1399R21.4Very low23Very low198 Ų198153 Ų15375%0.74776%0.757SS**  trans67.3131.7164.4-73.9171.7-179.2174.7-3.7116.1
1400K21.1Very low22.9Very low203 Ų203153.9 Ų153.988%0.88375%0.753SS**  51.493.680.7-71.6-166.6177.7-170.70114.2
1401S20.3Very low22.6Very low115 Ų115150.8 Ų150.880%0.80474%0.741SS**  trans178.4145.7138.2-171.80000110.6
1402S21.9Very low22.4Very low99 Ų99151.6 Ų151.669%0.69275%0.745SS**  cis-171.3143.6-26.8-73.90000108.5
1403R22.1Very low22.7Very low229 Ų229154.5 Ų154.586%0.86475%0.753SS**  trans53.296.1132.8-170.4-168.7-166.31695119.7
1404R28.5Very low23.1Very low240 Ų240156.3 Ų156.391%0.90676%0.758SS**  trans-173.1121.2141.1-92.3139.7-167.6-167.84.1105.2
1405K23.8Very low23.3Very low172 Ų172151.8 Ų151.875%0.74876%0.755SS**  cis63.3136.326.6-145.7-155.4-175.3-144.50112.7
1406I25.2Very low23.5Very low135 Ų135155.5 Ų155.569%0.69276%0.761SS**  trans79.9128.7-175.3-57165.8000111.4
1407E23.6Very low23.6Very low136 Ų136156.4 Ų156.464%0.63676%0.758SS**  cis-174.2173.8-23.1-126.2136.7-129.900110
1408E23.9Very low23.8Very low137 Ų137158.7 Ų158.764%0.6476%0.757SS**  trans65.6139148-76.2-168138.500123.9
1409K23.5Very low23.9Very low149 Ų149155.9 Ų155.965%0.64876%0.761SS**  trans74.4129.7146.6-70.1158.1-168.5156.10116.4
1410K23.4Very low24Very low187 Ų187150 Ų15081%0.81376%0.762SS**  63.7129.364.5-71.5-163.5173.1-162.40111.2
1411T24.9Very low24.1Very low93 Ų93148 Ų14857%0.57176%0.76SS**  cis-156.3162.514.1-3.40000110.9
1412E22.8Very low24.3Very low181 Ų181149.1 Ų149.185%0.84676%0.762SS**  trans16.9107149.2-63156.112900117.8
1413D26.5Very low24.4Very low153 Ų153147 Ų14782%0.81876%0.755SS**  trans-125145164.2-88.1-38.5000110.8
1414D27.9Very low24.6Very low157 Ų157142.1 Ų142.184%0.8475%0.751SS**  trans48.4103.1159.4-64.6-20.6000121.5
1415A22.3Very low24.3Very low92 Ų92138.2 Ų138.276%0.7674%0.743SS**  trans-87.5138.614600000110.6
1416Q24.5Very low24.2Very low184 Ų184136.9 Ų136.986%0.8674%0.743SS**  trans-174.7121.5137.3-106.616558.600114.5
1417N23.8Very low24Very low123 Ų123134.7 Ų134.766%0.65875%0.745SS**  47.6135128.4-75.136.2000124.3
1418E25.7Very low24Very low158 Ų158132.7 Ų132.774%0.73875%0.751SS**  trans71.9130.8140.9-63.2164.9-126.600118.2
1419T25.7Very low23.9Very low132 Ų132130.4 Ų130.481%0.8176%0.756SS**  -166.9133.956.828.40000113.6
1420G22.7Very low23.9Very low75 Ų75131.4 Ų131.477%0.77377%0.768SS**  trans70.9166.5147.500000120.7
1421L23.7Very low24Very low162 Ų162128.5 Ų128.585%0.84877%0.765SS**  cis-165.9144.3-17.2-155.176.5000111.1
1422V24.3Very low24.1Very low138 Ų138129.4 Ų129.484%0.83677%0.773SS**  trans65.3137.4168.8-159.80000116.2
1423G23.2Very low24Very low54 Ų54126 Ų12656%0.55777%0.769SS**  cis158.8170.9-7.400000112.5
1424T26.7Very low23.7Very low126 Ų126124.5 Ų124.577%0.77377%0.771SS**  trans65.3144.3175.966.90000117.5
1425E21.6Very low23.5Very low158 Ų158123.5 Ų123.574%0.73877%0.771SS**  cis-159.3152.6-15.5-115.9172-161.900112.2
1426I22.4Very low23.8Very low144 Ų144125 Ų12574%0.73877%0.772SS**  trans70.9133.6141.2-71.1164.7000122.8
1427A22.2Very low23.7Very low89 Ų89127.9 Ų127.974%0.73678%0.775SS**  trans62.29715200000121.5
1428A22.9Very low23.6Very low94 Ų94126.7 Ų126.778%0.77778%0.776SS**  trans-51.9152.8146.200000115.1
1429A22.5Very low23.4Very low89 Ų89125.4 Ų125.474%0.73678%0.78SS**  trans48.6122.5141.500000120.9
1430L22.5Very low23.4Very low171 Ų171125.1 Ų125.190%0.89578%0.778SS**  -173.5144.1109-97.5164.2000111.9
1431T25.1Very low23.6Very low125 Ų125127.1 Ų127.177%0.76778%0.78SS**  trans-98.4178162.557.90000108.7
1432P28Very low23.9Very low112 Ų112126.8 Ų126.873%0.72778%0.779SS**  cis-134.8-159.40.142.9-24.8000114.1
1433S19.6Very low24.3Very low109 Ų109124.5 Ų124.576%0.76277%0.769SS**  trans87.8107.5156.675.50000120.4
1434S21Very low25Very low123 Ų123127.9 Ų127.986%0.8677%0.774SS**  176.9147.6118.141.80000111.6
1435T23.9Very low25.8Very low136 Ų136127.7 Ų127.783%0.83477%0.769SS**  trans-147.9149.6-174-46.60000108.5
1436P28.8Very low27Very low122 Ų122123.3 Ų123.379%0.79275%0.75SS**  cis-115.5-170.5-33.137.6-23.8000111.2
1437R21.7Very low28.6Very low246 Ų246122 Ų12293%0.92875%0.745SS**  trans-129.6143156.7-157.2174.2-162.7162.96.3110
1438S21.3Very low30.6Very low97 Ų97119.9 Ų119.968%0.67872%0.723SS**  trans-98.8172.4-170.751.20000113.8
1439T23Very low32.7Very low131 Ų131123.1 Ų123.180%0.80472%0.715SS**  trans72.8139.5176.675.50000114.5
1440T25.4Very low35.3Very low126 Ų126121.9 Ų121.977%0.77370%0.696SS**  cis-127.6168.7144.50000111.8
1441S25.8Very low37.8Very low117 Ų117117.4 Ų117.482%0.81867%0.672SS**  trans-93.4119.4175.653.80000112.6
1442D29.8Very low40.5Very low155 Ų155114 Ų11483%0.82965%0.651SS**  trans-105.4158162.1-82.6-54000110
1443S32.4Very low43Very low90 Ų90111.9 Ų111.963%0.62963%0.633SS**  trans-95.7136.3-175.455.40000113.9D1445S1443-D1445 PolarHBondContact O-N 3.15Å
1444D39Very low45.5Very low125 Ų125109.8 Ų109.867%0.66861%0.613SS**SBendtrans-64.7-0-174.4-69.5-57.9000116.2N1446 L1447D1444-N1446 PolarHBondContact O-N 2.9Å; D1444-L1447 PolarHBondContact O-N 3.19Å
1445D42.6Very low48.2Very low123 Ų123106.5 Ų106.566%0.65859%0.59SS**THydrogen-bonded Turntrans-62.913.9-174.2-123.540.9000115.4S1443 K1465S1443-D1445 PolarHBondContact O-N 3.15Å; D1445-K1465 IonicContact OD2-NZ 2.8Å; D1445-K1465 PolarHBondContact OD2-NZ 3Å; D1445-K1465 VanDerWaalsContact OD2-NZ 3.13Å
1446N47.7Very low50.7Low65 Ų65100 Ų10035%0.34855%0.551SS.*THydrogen-bonded Turntrans-129.30.8-168.7-91.6-72.8000115.1D1444 R1462D1444-N1446 PolarHBondContact O-N 2.9Å; N1446-R1462 PolarHBondContact OD1-NE 3.43Å; N1446-R1462 PolarHBondContact OD1-NH2 2.98Å
1447L55.7Low53.3Low118 Ų11898.6 Ų98.662%0.61853%0.533SS*.  trans-61.7127.5-179.2-84.2161.9000112.5D1444D1444-L1447 PolarHBondContact O-N 3.19Å
1448P65.1Low56Low44 Ų4490.1 Ų90.129%0.28650%0.501SS..  trans-78.1149.2-179.331.9-35.4000112.9W1460 F1461 R1462P1448-W1460 HydrophobicContact CB-CB 4.37Å; P1448-W1460 HydrophobicContact CB-CE3 4.16Å; P1448-W1460 HydrophobicContact CG-CE3 4.13Å; P1448-F1461 CarbonylContact C-O 3.59Å; P1448-F1461 WeakPolarHBondContact CA-O 3.49Å; P1448-F1461 WeakPolarHBondContact CB-O 3.04Å; P1448-R1462 HydrophobicContact CB-CB 4.31Å
1449W66.2Low58.7Low161 Ų16188.2 Ų88.261%0.6148%0.481SS*.EExtended strand (participates in β ladder)trans-104.9136.3177.4-53.1-28.5000111.3W1460 F1461W1449-W1460 WeakPolarHBondContact O-CA 3.47Å; W1449-F1461 HydrophobicContact CD2-CD1 4.21Å; W1449-F1461 HydrophobicContact CD2-CE1 4.49Å; W1449-F1461 AromaticContact CE3-CD1 3.54Å; W1449-F1461 HydrophobicContact CE3-CD1 3.54Å; W1449-F1461 AromaticContact CE3-CE1 3.57Å; W1449-F1461 HydrophobicContact CE3-CE1 3.57Å; W1449-F1461 HydrophobicContact CH2-CE1 4.49Å; W1449-F1461 HydrophobicContact CZ3-CD1 4.07Å; W1449-F1461 AromaticContact CZ3-CE1 3.58Å; W1449-F1461 HydrophobicContact CZ3-CE1 3.58Å; W1449-F1461 PolarHBondContact N-O 3.38Å; W1449-F1461 PolarHBondContact O-N 2.77Å
1450L77.4Confident61Low63 Ų6385.3 Ų85.333%0.3346%0.455SS..EExtended strand (participates in β ladder)trans-84.7116.9175.5-176.268000110.7R1458 W1460L1450-R1458 HydrophobicContact CD1-CB 4.09Å; L1450-R1458 HydrophobicContact CD1-CG 4.47Å; L1450-W1460 HydrophobicContact CB-CD2 4.34Å; L1450-W1460 HydrophobicContact CB-CE3 3.9Å; L1450-W1460 HydrophobicContact CB-CH2 4.11Å; L1450-W1460 HydrophobicContact CB-CZ3 3.79Å; L1450-W1460 HydrophobicContact CD1-CD2 4.03Å; L1450-W1460 HydrophobicContact CD1-CE3 4.45Å; L1450-W1460 HydrophobicContact CD1-CG 4.36Å; L1450-W1460 HydrophobicContact CD1-CZ2 4.36Å
1451I75Confident63.1Low78 Ų7881 Ų8140%0.443%0.426SS..EExtended strand (participates in β ladder)trans-104.2128172.6-59.9177.5000108.7L1453 R1458 F1459 F1461I1451-L1453 HydrophobicContact CG2-CD2 4.22Å; I1451-R1458 CarbonylContact O-C 3.57Å; I1451-R1458 WeakPolarHBondContact O-CA 3.47Å; I1451-F1459 PolarHBondContact N-O 2.97Å; I1451-F1459 PolarHBondContact O-N 3.18Å; I1451-F1461 HydrophobicContact CD1-CB 3.92Å; I1451-F1461 HydrophobicContact CD1-CD2 4.39Å; I1451-F1461 HydrophobicContact CD1-CG 4.2Å; I1451-F1461 HydrophobicContact CG1-CB 4.37Å
1452T80.3Confident65Low52 Ų5279.1 Ų79.132%0.31940%0.401SS..EExtended strand (participates in β ladder)trans-113.4118.7176.3-530000109.9E1457 R1458 L1515T1452-E1457 WeakPolarHBondContact CA-O 3.48Å; T1452-R1458 HydrophobicContact CG2-CG 3.82Å; T1452-L1515 HydrophobicContact CG2-CD1 3.6Å
1453L80.9Confident66.5Low68 Ų6875.2 Ų75.236%0.35638%0.379SS..  trans-80.4165.6177.6-59.2-171.6000112.2I1451 S1455 G1456 E1457 F1459 R1532I1451-L1453 HydrophobicContact CG2-CD2 4.22Å; L1453-S1455 VanDerWaalsContact CB-OG 3.3Å; L1453-S1455 WeakPolarHBondContact CB-OG 3.5Å; L1453-S1455 PolarHBondContact O-N 3.33Å; L1453-G1456 PolarHBondContact O-N 2.9Å; L1453-E1457 HydrophobicContact CB-CB 4.44Å; L1453-E1457 HydrophobicContact CD1-CB 4.33Å; L1453-E1457 PolarHBondContact N-O 3.31Å; L1453-F1459 HydrophobicContact CD1-CD2 4.44Å; L1453-F1459 HydrophobicContact CD1-CE2 3.82Å; L1453-F1459 HydrophobicContact CG-CD2 4.48Å; L1453-F1459 HydrophobicContact CG-CE2 4.27Å; L1453-R1532 PolarHBondContact O-NH1 3.07Å
1454L73.8Confident67.6Low65 Ų6573.6 Ų73.634%0.3436%0.363SS..THydrogen-bonded Turntrans-64.7-23172.8-73.9171.1000112.8G1456 L1537 A1539 L1550L1454-G1456 PolarHBondContact O-N 3.14Å; L1454-L1537 HydrophobicContact CD2-CD2 4.21Å; L1454-A1539 HydrophobicContact CD2-CB 3.86Å; L1454-L1550 HydrophobicContact CD1-CD1 4.37Å; L1454-L1550 HydrophobicContact CD1-CD2 4.09Å
1455S77.4Confident67.8Low54 Ų5473.8 Ų73.838%0.37836%0.358SS..THydrogen-bonded Turntrans-68.5-7.2169.249.20000113.9L1453 E1457 S1517L1453-S1455 VanDerWaalsContact CB-OG 3.3Å; L1453-S1455 WeakPolarHBondContact CB-OG 3.5Å; L1453-S1455 PolarHBondContact O-N 3.33Å; S1455-E1457 VanDerWaalsContact CB-OE2 3.3Å; S1455-E1457 WeakPolarHBondContact CB-OE2 3.45Å; S1455-E1457 PolarHBondContact O-N 3.19Å; S1455-E1457 WeakPolarHBondContact OG-CG 3.48Å; S1455-E1457 PolarHBondContact OG-OE2 2.72Å; S1455-S1517 PolarHBondContact O-OG 2.95Å
1456G75.2Confident67.4Low0 Ų073.1 Ų73.10%036%0.363CS..SBendtrans82-11.5-171.800000113.7L1453 L1454 R1458 P1514 L1515L1453-G1456 PolarHBondContact O-N 2.9Å; L1454-G1456 PolarHBondContact O-N 3.14Å; G1456-R1458 PolarHBondContact O-N 2.98Å; G1456-P1514 WeakPolarHBondContact O-CA 3.49Å; G1456-L1515 WeakPolarHBondContact CA-O 3.12Å; G1456-L1515 PolarHBondContact O-N 3Å
1457E83.6Confident66.5Low92 Ų9279.6 Ų79.643%0.4339%0.389SS..  trans-59134.8175.7-64.4168.1118.600111.3T1452 L1453 S1455 F1459T1452-E1457 WeakPolarHBondContact CA-O 3.48Å; L1453-E1457 HydrophobicContact CB-CB 4.44Å; L1453-E1457 HydrophobicContact CD1-CB 4.33Å; L1453-E1457 PolarHBondContact N-O 3.31Å; S1455-E1457 VanDerWaalsContact CB-OE2 3.3Å; S1455-E1457 WeakPolarHBondContact CB-OE2 3.45Å; S1455-E1457 PolarHBondContact O-N 3.19Å; S1455-E1457 WeakPolarHBondContact OG-CG 3.48Å; S1455-E1457 PolarHBondContact OG-OE2 2.72Å; E1457-F1459 HydrophobicContact CB-CE2 3.7Å; E1457-F1459 HydrophobicContact CB-CZ 4.13Å
1458R77.8Confident65.1Low68 Ų6880.6 Ų80.626%0.25740%0.399SS..EExtended strand (participates in β ladder)trans-121130.9-176.6-79.5169.264.7178.98.4110.1L1450 I1451 T1452 G1456 S1512 K1513 L1515L1450-R1458 HydrophobicContact CD1-CB 4.09Å; L1450-R1458 HydrophobicContact CD1-CG 4.47Å; I1451-R1458 CarbonylContact O-C 3.57Å; I1451-R1458 WeakPolarHBondContact O-CA 3.47Å; T1452-R1458 HydrophobicContact CG2-CG 3.82Å; G1456-R1458 PolarHBondContact O-N 2.98Å; R1458-S1512 PolarHBondContact O-N 3.38Å; R1458-K1513 WeakPolarHBondContact CD-O 3.49Å; R1458-L1515 HydrophobicContact CG-CD1 4.49Å
1459F78.2Confident63.1Low58 Ų5886.2 Ų86.225%0.25443%0.427SS..EExtended strand (participates in β ladder)trans-129128.6178.7-58.7-84.8000110I1451 L1453 E1457 F1461 T1509 Y1510 P1511I1451-F1459 PolarHBondContact N-O 2.97Å; I1451-F1459 PolarHBondContact O-N 3.18Å; L1453-F1459 HydrophobicContact CD1-CD2 4.44Å; L1453-F1459 HydrophobicContact CD1-CE2 3.82Å; L1453-F1459 HydrophobicContact CG-CD2 4.48Å; L1453-F1459 HydrophobicContact CG-CE2 4.27Å; E1457-F1459 HydrophobicContact CB-CE2 3.7Å; E1457-F1459 HydrophobicContact CB-CZ 4.13Å; F1459-F1461 PolarHBondContact O-N 2.93Å; F1459-T1509 HydrophobicContact CB-CG2 4.27Å; F1459-Y1510 WeakPolarHBondContact CA-O 3.44Å; F1459-P1511 HydrophobicContact CD1-CB 4.4Å; F1459-P1511 HydrophobicContact CE1-CB 4.38Å
1460W72.5Confident61Low69 Ų6984.5 Ų84.526%0.26144%0.435SS..EExtended strand (participates in β ladder)trans-79.1112.7162.6-70.2108.6000108.3P1448 W1449 L1450 T1509 Y1510 S1512P1448-W1460 HydrophobicContact CB-CB 4.37Å; P1448-W1460 HydrophobicContact CB-CE3 4.16Å; P1448-W1460 HydrophobicContact CG-CE3 4.13Å; W1449-W1460 WeakPolarHBondContact O-CA 3.47Å; L1450-W1460 HydrophobicContact CB-CD2 4.34Å; L1450-W1460 HydrophobicContact CB-CE3 3.9Å; L1450-W1460 HydrophobicContact CB-CH2 4.11Å; L1450-W1460 HydrophobicContact CB-CZ3 3.79Å; L1450-W1460 HydrophobicContact CD1-CD2 4.03Å; L1450-W1460 HydrophobicContact CD1-CE3 4.45Å; L1450-W1460 HydrophobicContact CD1-CG 4.36Å; L1450-W1460 HydrophobicContact CD1-CZ2 4.36Å; W1460-T1509 WeakPolarHBondContact O-CA 3.45Å; W1460-Y1510 PolarHBondContact N-O 3.02Å; W1460-Y1510 PolarHBondContact O-N 3.14Å; W1460-S1512 PolarHBondContact NE1-OG 3.37Å
1461F69.1Low58.4Low35 Ų3587.3 Ų87.315%0.15446%0.46CS..EExtended strand (participates in β ladder)trans-93.9127.8179.5167-86.2000110.2P1448 W1449 I1451 F1459 I1463 Y1507P1448-F1461 CarbonylContact C-O 3.59Å; P1448-F1461 WeakPolarHBondContact CA-O 3.49Å; P1448-F1461 WeakPolarHBondContact CB-O 3.04Å; W1449-F1461 HydrophobicContact CD2-CD1 4.21Å; W1449-F1461 HydrophobicContact CD2-CE1 4.49Å; W1449-F1461 AromaticContact CE3-CD1 3.54Å; W1449-F1461 HydrophobicContact CE3-CD1 3.54Å; W1449-F1461 AromaticContact CE3-CE1 3.57Å; W1449-F1461 HydrophobicContact CE3-CE1 3.57Å; W1449-F1461 HydrophobicContact CH2-CE1 4.49Å; W1449-F1461 HydrophobicContact CZ3-CD1 4.07Å; W1449-F1461 AromaticContact CZ3-CE1 3.58Å; W1449-F1461 HydrophobicContact CZ3-CE1 3.58Å; W1449-F1461 PolarHBondContact N-O 3.38Å; W1449-F1461 PolarHBondContact O-N 2.77Å; I1451-F1461 HydrophobicContact CD1-CB 3.92Å; I1451-F1461 HydrophobicContact CD1-CD2 4.39Å; I1451-F1461 HydrophobicContact CD1-CG 4.2Å; I1451-F1461 HydrophobicContact CG1-CB 4.37Å; F1459-F1461 PolarHBondContact O-N 2.93Å; F1461-I1463 HydrophobicContact CE1-CD1 4.25Å; F1461-I1463 HydrophobicContact CE1-CG1 3.86Å; F1461-I1463 HydrophobicContact CZ-CD1 4.39Å; F1461-I1463 HydrophobicContact CZ-CG1 3.91Å; F1461-Y1507 HydrophobicContact CD2-CD1 4.37Å; F1461-Y1507 AromaticContact CE2-CD1 3.28Å; F1461-Y1507 HydrophobicContact CE2-CD1 3.28Å; F1461-Y1507 AromaticContact CE2-CE1 3.88Å; F1461-Y1507 HydrophobicContact CE2-CE1 3.88Å; F1461-Y1507 AromaticContact CE2-CG 3.69Å; F1461-Y1507 HydrophobicContact CE2-CG 3.69Å; F1461-Y1507 AromaticContact CZ-CD1 3.41Å; F1461-Y1507 HydrophobicContact CZ-CD1 3.41Å; F1461-Y1507 VanDerWaalsContact CZ-CD1 3.41Å; F1461-Y1507 AromaticContact CZ-CE1 3.7Å; F1461-Y1507 HydrophobicContact CZ-CE1 3.7Å; F1461-Y1507 HydrophobicContact CZ-CG 4.28Å
1462R65.3Low56Low78 Ų7891.3 Ų91.329%0.29448%0.482SS..EExtended strand (participates in β ladder)trans-130.8154.2172.7-176.1-179.9175.6-149.66.4110.4N1446 P1448 Y1507 E1508N1446-R1462 PolarHBondContact OD1-NE 3.43Å; N1446-R1462 PolarHBondContact OD1-NH2 2.98Å; P1448-R1462 HydrophobicContact CB-CB 4.31Å; R1462-Y1507 CarbonylContact O-C 3.54Å; R1462-Y1507 VanDerWaalsContact O-CA 3.32Å; R1462-Y1507 WeakPolarHBondContact O-CA 3.36Å; R1462-E1508 HydrophobicContact CB-CB 4Å; R1462-E1508 IonicContact CZ-OE2 3.57Å; R1462-E1508 PolarHBondContact N-O 3.44Å; R1462-E1508 IonicContact NH1-OE2 3.51Å; R1462-E1508 PolarHBondContact NH1-OE2 3.17Å; R1462-E1508 PolarHBondContact O-N 2.87Å
1463I61.8Low53.4Low73 Ų7396.4 Ų96.437%0.37451%0.506SS..EExtended strand (participates in β ladder)trans-102.4127.2172.1-59.4171.8000108.9F1461 V1505 Y1507F1461-I1463 HydrophobicContact CE1-CD1 4.25Å; F1461-I1463 HydrophobicContact CE1-CG1 3.86Å; F1461-I1463 HydrophobicContact CZ-CD1 4.39Å; F1461-I1463 HydrophobicContact CZ-CG1 3.91Å; I1463-V1505 HydrophobicContact CG2-CG1 3.82Å; I1463-Y1507 HydrophobicContact CG1-CD1 4.11Å; I1463-Y1507 HydrophobicContact CG1-CE1 4.23Å
1464I54.9Low50.7Low56 Ų5698.3 Ų98.329%0.28752%0.52SS..  trans-93.5126.8179.9-46.8176.5000110.4K1506 E1508I1464-K1506 HydrophobicContact CB-CB 4.27Å; I1464-K1506 WeakPolarHBondContact CB-O 3.4Å; I1464-K1506 HydrophobicContact CD1-CB 4.1Å; I1464-K1506 HydrophobicContact CG1-CB 4.45Å; I1464-K1506 WeakPolarHBondContact CG1-O 3.49Å; I1464-K1506 PolarHBondContact N-O 3.01Å; I1464-E1508 HydrophobicContact CD1-CB 3.85Å; I1464-E1508 HydrophobicContact CD1-CG 3.66Å; I1464-E1508 WeakPolarHBondContact CD1-OE1 3.32Å; I1464-E1508 HydrophobicContact CG1-CB 3.79Å; I1464-E1508 HydrophobicContact CG1-CG 4.04Å
1465K42.8Very low48.3Very low129 Ų129103.8 Ų103.856%0.56154%0.544SS*.  trans-104.3113.9164.7-65.6171.2-176.1164.60108.2D1445D1445-K1465 IonicContact OD2-NZ 2.8Å; D1445-K1465 PolarHBondContact OD2-NZ 3Å; D1445-K1465 VanDerWaalsContact OD2-NZ 3.13Å
1466S34.3Very low45.8Very low110 Ų110108.2 Ų108.277%0.76956%0.564SS**PPolyproline II helixtrans-87.2123.6-172.5570000113.2
1467F29.6Very low43.4Very low201 Ų201114 Ų11488%0.88260%0.599SS**PPolyproline II helixtrans-94.4136.4170.9-72.4-85.8000111.9
1468T26.4Very low40.7Very low138 Ų138115.3 Ų115.385%0.84762%0.616SS**PPolyproline II helixtrans-91.3131.3179.249.80000111.2
1469N21.8Very low38.1Very low162 Ų162118.2 Ų118.287%0.86664%0.641SS**  trans-126.2149.4173.7-157.5-6.5000110.2
1470T23.5Very low35.5Very low126 Ų126121 Ų12177%0.77366%0.663SS**  trans-130123.2-16350.60000113.2
1471S23Very low33.1Very low122 Ų122125 Ų12585%0.85369%0.69SS**  trans-150.8156.8165.755.60000111.9
1472N23.7Very low30.9Very low161 Ų161128 Ų12886%0.86172%0.721SS**  trans-95157.4-166.3-41.4-69.6000113.1
1473L25Very low28.9Very low160 Ų160129.3 Ų129.384%0.83874%0.742SS**  trans162.7105.4135.2-155.164.7000107.9
1474V24Very low27Very low107 Ų107132.7 Ų132.765%0.64876%0.761SS**  62.3117.485.61780000114.4
1475E23.4Very low25.6Very low181 Ų181135.6 Ų135.685%0.84679%0.786SS**  trans46.2134.6157-62.4165162.600118.2
1476D26.5Very low24.6Very low147 Ų147136.4 Ų136.479%0.78680%0.801SS**  cis-162.3-160.242.7-153.2-30.7000112.2
1477T24.8Very low24.1Very low121 Ų121136.2 Ų136.274%0.74280%0.8SS**  trans-84.2158.6-16640.20000116.6
1478P25.6Very low23.9Very low120 Ų120135.8 Ų135.878%0.77980%0.801SS**  trans-101.4141.9-161.336.9-34.3000116.5
1479T24.8Very low23.8Very low129 Ų129137.6 Ų137.679%0.79180%0.8SS**  trans-145.4119.1162.255.90000114.1
1480T23.1Very low23.9Very low117 Ų117134.5 Ų134.572%0.71879%0.791SS**  trans64.4116.5133.1-49.30000121.2
1481N22.6Very low23.8Very low152 Ų152134.1 Ų134.181%0.81379%0.788SS**  trans67.6131.2164.1-55.1-12.3000116.8
1482A22.3Very low23.9Very low97 Ų97134.4 Ų134.480%0.80278%0.78SS**  cis105.280.814.400000116.5
1483S22.6Very low23.9Very low107 Ų107134.1 Ų134.175%0.74878%0.778SS**  trans-166.7152140.951.10000112.6
1484D23Very low23.8Very low143 Ų143133.8 Ų133.877%0.76578%0.777SS**  trans51.299.3154.5-53.2-16.4000122
1485S24.1Very low23.9Very low118 Ų118134.4 Ų134.483%0.82578%0.781SS**  -170.4135.3112.936.80000114
1486V23.3Very low23.9Very low145 Ų145131.1 Ų131.188%0.87978%0.775SS**  trans11.499.7161.6-167.80000117.8
1487S24.2Very low23.7Very low107 Ų107130 Ų13075%0.74878%0.779SS**  trans-73.2126.4160.952.20000111.2E1489S1487-E1489 PolarHBondContact O-N 3.44Å
1488Q25.2Very low23.7Very low192 Ų192130.2 Ų130.290%0.89779%0.786SS**  trans-64.1115.9164.4-82.9-177.1-55.100109.7S1490Q1488-S1490 PolarHBondContact O-N 3.46Å; Q1488-S1490 VanDerWaalsContact O-N 3.09Å
1489E23.3Very low23.8Very low175 Ų175134 Ų13482%0.81879%0.79SS**  trans-80.689.7-176.5-170.4165-141.800111.1S1487 V1491S1487-E1489 PolarHBondContact O-N 3.44Å; E1489-V1491 PolarHBondContact O-N 3.36Å
1490S23.6Very low23.8Very low97 Ų97139.1 Ų139.168%0.67880%0.795SS**  trans-72.197.4172.360.80000110.2Q1488 N1492Q1488-S1490 PolarHBondContact O-N 3.46Å; Q1488-S1490 VanDerWaalsContact O-N 3.09Å; S1490-N1492 PolarHBondContact O-N 3.46Å
1491V22.6Very low23.9Very low119 Ų119140.3 Ų140.372%0.72180%0.796SS**  trans-62.7102.8177.4-177.10000110.2E1489 L1493E1489-V1491 PolarHBondContact O-N 3.36Å; V1491-L1493 PolarHBondContact O-N 2.94Å
1492N25Very low24.2Very low128 Ų128139.1 Ų139.168%0.68479%0.79SS**  trans-74.8122168.3-71.6-72.4000108.5S1490 D1494S1490-N1492 PolarHBondContact O-N 3.46Å; N1492-D1494 VanDerWaalsContact C-N 3.29Å; N1492-D1494 PolarHBondContact O-N 2.78Å
1493L23.9Very low24.7Very low154 Ų154140.3 Ų140.381%0.80678%0.783SS**  trans-80.578.8179.5-157.378000110.2V1491 T1495V1491-L1493 PolarHBondContact O-N 2.94Å; L1493-T1495 PolarHBondContact O-N 3.24Å
1494D23Very low25.5Very low153 Ų153139.8 Ų139.882%0.81879%0.785SS**  trans-58.5106.6-175-88.9-24.3000112.6N1492N1492-D1494 VanDerWaalsContact C-N 3.29Å; N1492-D1494 PolarHBondContact O-N 2.78Å
1495T25Very low26.5Very low120 Ų120136.6 Ų136.674%0.73677%0.77SS**  trans-114.1115.6160.1-58.40000108.3L1493L1493-T1495 PolarHBondContact O-N 3.24Å
1496P22.8Very low27.8Very low112 Ų112138.3 Ų138.373%0.72776%0.763SS**  trans-70.4152.8-172.127.3-34.3000112.7
1497S22.5Very low29.4Very low124 Ų124137.8 Ų137.887%0.86775%0.746SS**  trans76.769.9169.572.80000118.8
1498S26.4Very low31.3Very low125 Ų125135.2 Ų135.287%0.87472%0.722SS**  trans-147.4166.1132.5-160.60000112.3
1499K27.3Very low33.3Very low200 Ų200130 Ų13087%0.8770%0.703SS**  trans-101.6121-173.9-68.1173.9-179.8173.40111.2
1500R23.8Very low35.7Very low236 Ų236126.9 Ų126.989%0.89169%0.685SS**  trans12.2113.7158.9-65179.1178.8167-1.8117.5
1501L26.3Very low38.2Very low142 Ų142127.2 Ų127.274%0.74369%0.685SS**  trans-136.2137.3132-164.372.2000107.5
1502N29.4Very low41Very low128 Ų128123 Ų12368%0.68466%0.661SS**  trans-103116.9-173-67.44.5000110.8
1503D32.7Very low43.6Very low122 Ų122125.5 Ų125.565%0.65267%0.665SS**  trans-152.891.7141.1-104.8-22.9000106.5N1264 V1505N1264-D1503 PolarHBondContact ND2-OD2 3.05Å; D1503-V1505 PolarHBondContact O-N 2.9Å
1504A38.2Very low46.3Very low96 Ų96122.3 Ų122.379%0.79365%0.654SS**  trans-79.989.7-171.400000110.6K1506A1504-K1506 PolarHBondContact O-N 2.74Å
1505V44Very low49.1Very low76 Ų76116 Ų11646%0.46162%0.62SS.*  trans-54.2111.7163178.80000107.5I1463 D1503 Y1507I1463-V1505 HydrophobicContact CG2-CG1 3.82Å; D1503-V1505 PolarHBondContact O-N 2.9Å; V1505-Y1507 HydrophobicContact CB-CE1 4.23Å; V1505-Y1507 HydrophobicContact CG1-CD1 4.21Å; V1505-Y1507 HydrophobicContact CG1-CE1 3.59Å; V1505-Y1507 WeakPolarHBondContact O-CD2 3.46Å; V1505-Y1507 WeakPolarHBondContact O-CE2 3.2Å; V1505-Y1507 PolarHBondContact O-N 2.93Å
1506K51.8Low51.9Low154 Ų154115.8 Ų115.867%0.6761%0.611SS**  trans-74.8116.7177.9-80.3-166.7171.7-170.70109.4I1464 A1504I1464-K1506 HydrophobicContact CB-CB 4.27Å; I1464-K1506 WeakPolarHBondContact CB-O 3.4Å; I1464-K1506 HydrophobicContact CD1-CB 4.1Å; I1464-K1506 HydrophobicContact CG1-CB 4.45Å; I1464-K1506 WeakPolarHBondContact CG1-O 3.49Å; I1464-K1506 PolarHBondContact N-O 3.01Å; A1504-K1506 PolarHBondContact O-N 2.74Å
1507Y55.9Low54.7Low133 Ų133112.4 Ų112.452%0.52259%0.59SS.*EExtended strand (participates in β ladder)trans-89.5139.1167.7-50.4-67.1000109.3F1461 R1462 I1463 V1505F1461-Y1507 HydrophobicContact CD2-CD1 4.37Å; F1461-Y1507 AromaticContact CE2-CD1 3.28Å; F1461-Y1507 HydrophobicContact CE2-CD1 3.28Å; F1461-Y1507 AromaticContact CE2-CE1 3.88Å; F1461-Y1507 HydrophobicContact CE2-CE1 3.88Å; F1461-Y1507 AromaticContact CE2-CG 3.69Å; F1461-Y1507 HydrophobicContact CE2-CG 3.69Å; F1461-Y1507 AromaticContact CZ-CD1 3.41Å; F1461-Y1507 HydrophobicContact CZ-CD1 3.41Å; F1461-Y1507 VanDerWaalsContact CZ-CD1 3.41Å; F1461-Y1507 AromaticContact CZ-CE1 3.7Å; F1461-Y1507 HydrophobicContact CZ-CE1 3.7Å; F1461-Y1507 HydrophobicContact CZ-CG 4.28Å; R1462-Y1507 CarbonylContact O-C 3.54Å; R1462-Y1507 VanDerWaalsContact O-CA 3.32Å; R1462-Y1507 WeakPolarHBondContact O-CA 3.36Å; I1463-Y1507 HydrophobicContact CG1-CD1 4.11Å; I1463-Y1507 HydrophobicContact CG1-CE1 4.23Å; V1505-Y1507 HydrophobicContact CB-CE1 4.23Å; V1505-Y1507 HydrophobicContact CG1-CD1 4.21Å; V1505-Y1507 HydrophobicContact CG1-CE1 3.59Å; V1505-Y1507 WeakPolarHBondContact O-CD2 3.46Å; V1505-Y1507 WeakPolarHBondContact O-CE2 3.2Å; V1505-Y1507 PolarHBondContact O-N 2.93Å
1508E64.9Low57.5Low54 Ų54111.2 Ų111.225%0.25257%0.569SS.*EExtended strand (participates in β ladder)trans-100.8112.2169.3-132.2158.7-148.900106.5R1462 I1464 Y1510R1462-E1508 HydrophobicContact CB-CB 4Å; R1462-E1508 IonicContact CZ-OE2 3.57Å; R1462-E1508 PolarHBondContact N-O 3.44Å; R1462-E1508 IonicContact NH1-OE2 3.51Å; R1462-E1508 PolarHBondContact NH1-OE2 3.17Å; R1462-E1508 PolarHBondContact O-N 2.87Å; I1464-E1508 HydrophobicContact CD1-CB 3.85Å; I1464-E1508 HydrophobicContact CD1-CG 3.66Å; I1464-E1508 WeakPolarHBondContact CD1-OE1 3.32Å; I1464-E1508 HydrophobicContact CG1-CB 3.79Å; I1464-E1508 HydrophobicContact CG1-CG 4.04Å; E1508-Y1510 HydrophobicContact CB-CE2 3.94Å; E1508-Y1510 HydrophobicContact CG-CE2 3.75Å; E1508-Y1510 PolarHBondContact OE2-OH 3.3Å; E1508-Y1510 VanDerWaalsContact OE2-OH 3.1Å
1509T67.2Low60.3Low81 Ų81114 Ų11450%0.49756%0.561SS.*EExtended strand (participates in β ladder)trans-109.3104.3174.728.40000109.9F1459 W1460F1459-T1509 HydrophobicContact CB-CG2 4.27Å; W1460-T1509 WeakPolarHBondContact O-CA 3.45Å
1510Y73.2Confident62.9Low110 Ų110107.2 Ų107.243%0.43154%0.542SS..EExtended strand (participates in β ladder)trans-89.2121172.5-57.3-89.3000109.1F1459 W1460 E1508 S1512F1459-Y1510 WeakPolarHBondContact CA-O 3.44Å; W1460-Y1510 PolarHBondContact N-O 3.02Å; W1460-Y1510 PolarHBondContact O-N 3.14Å; E1508-Y1510 HydrophobicContact CB-CE2 3.94Å; E1508-Y1510 HydrophobicContact CG-CE2 3.75Å; E1508-Y1510 PolarHBondContact OE2-OH 3.3Å; E1508-Y1510 VanDerWaalsContact OE2-OH 3.1Å; Y1510-S1512 PolarHBondContact O-N 3.31Å
1511P76.6Confident65.7Low105 Ų105102.6 Ų102.668%0.68253%0.525SS*.EExtended strand (participates in β ladder)trans-63.7129.7173.826.6-33000109.9F1459F1459-P1511 HydrophobicContact CD1-CB 4.4Å; F1459-P1511 HydrophobicContact CE1-CB 4.38Å
1512S80.4Confident68.5Low31 Ų3199.5 Ų99.522%0.21751%0.509CS..  trans-96.9176171-169.70000109.4R1458 W1460 Y1510 P1514R1458-S1512 PolarHBondContact O-N 3.38Å; W1460-S1512 PolarHBondContact NE1-OG 3.37Å; Y1510-S1512 PolarHBondContact O-N 3.31Å; S1512-P1514 WeakPolarHBondContact O-CD 3.29Å
1513K79.9Confident70.5Confident179 Ų17998.5 Ų98.578%0.77851%0.51SS*.PPolyproline II helixtrans-60.3120172-69.5-179.8179.7176.10108.9R1458R1458-K1513 WeakPolarHBondContact CD-O 3.49Å
1514P80.3Confident72.5Confident88 Ų8897 Ų9757%0.57151%0.514SS*.PPolyproline II helixtrans-68.2153.4174.131.3-35.8000110.1G1456 S1512G1456-P1514 WeakPolarHBondContact O-CA 3.49Å; S1512-P1514 WeakPolarHBondContact O-CD 3.29Å
1515L82.6Confident74.4Confident19 Ų1995.4 Ų95.410%0.09950%0.495CS..PPolyproline II helixtrans-86.8149.9168.9-61159000109.5T1452 G1456 R1458 S1517 R1532 E1534T1452-L1515 HydrophobicContact CG2-CD1 3.6Å; G1456-L1515 WeakPolarHBondContact CA-O 3.12Å; G1456-L1515 PolarHBondContact O-N 3Å; R1458-L1515 HydrophobicContact CG-CD1 4.49Å; L1515-S1517 PolarHBondContact O-N 3.45Å; L1515-R1532 HydrophobicContact CB-CG 4.03Å; L1515-R1532 HydrophobicContact CD1-CG 4.37Å; L1515-E1534 WeakPolarHBondContact CA-OE1 3.45Å; L1515-E1534 HydrophobicContact CD2-CB 3.71Å; L1515-E1534 HydrophobicContact CD2-CG 4.28Å; L1515-E1534 WeakPolarHBondContact CD2-OE2 3.17Å
1516E83.5Confident76Confident117 Ų11792.2 Ų92.255%0.54748%0.477SS..PPolyproline II helixtrans-69.8120.7172.4-174.1171.6-139.100110.8F1518 R1532 P1533 E1534E1516-F1518 HydrophobicContact CG-CE1 4.49Å; E1516-F1518 HydrophobicContact CG-CE2 3.9Å; E1516-F1518 HydrophobicContact CG-CZ 3.82Å; E1516-F1518 WeakPolarHBondContact OE1-CZ 3.47Å; E1516-R1532 WeakPolarHBondContact O-CG 3.45Å; E1516-P1533 WeakPolarHBondContact O-CD 3.33Å; E1516-E1534 PolarHBondContact N-OE1 3.37Å
1517S81.8Confident77.6Confident40 Ų4088.6 Ų88.628%0.2846%0.463SS..  trans-119.9138.1174.176.50000112.1S1455 L1515 T1531S1455-S1517 PolarHBondContact O-OG 2.95Å; L1515-S1517 PolarHBondContact O-N 3.45Å; S1517-T1531 WeakPolarHBondContact CA-O 3.33Å
1518F81.5Confident79Confident100 Ų10083.3 Ų83.344%0.43944%0.444SS..EExtended strand (participates in β ladder)trans-108.9132.8175.3-64.7-72.5000109.8E1516 Y1530 T1531 P1533E1516-F1518 HydrophobicContact CG-CE1 4.49Å; E1516-F1518 HydrophobicContact CG-CE2 3.9Å; E1516-F1518 HydrophobicContact CG-CZ 3.82Å; E1516-F1518 WeakPolarHBondContact OE1-CZ 3.47Å; F1518-Y1530 CarbonylContact O-C 3.55Å; F1518-Y1530 VanDerWaalsContact O-CA 3.3Å; F1518-Y1530 WeakPolarHBondContact O-CA 3.3Å; F1518-T1531 PolarHBondContact N-O 2.89Å; F1518-T1531 PolarHBondContact O-N 3.05Å; F1518-P1533 HydrophobicContact CD2-CG 3.98Å; F1518-P1533 HydrophobicContact CE2-CG 3.69Å
1519R85.5Confident80Confident184 Ų18484 Ų8469%0.69445%0.45SS*.EExtended strand (participates in β ladder)trans-117.2116.9173.4-174.2-177.464.5-172.9-4.9110.2T1528 L1529 Y1530R1519-T1528 HydrophobicContact CG-CG2 3.53Å; R1519-L1529 CarbonylContact C-O 3.58Å; R1519-L1529 WeakPolarHBondContact CA-O 3.35Å; R1519-Y1530 HydrophobicContact CB-CD1 4.1Å; R1519-Y1530 HydrophobicContact CB-CE1 4.24Å; R1519-Y1530 VanDerWaalsContact CD-CE1 3.42Å; R1519-Y1530 HydrophobicContact CG-CD1 3.91Å; R1519-Y1530 HydrophobicContact CG-CE1 3.7Å; R1519-Y1530 HydrophobicContact CG-CG 4.47Å
1520A80.6Confident81Confident57 Ų5782.1 Ų82.147%0.47143%0.433SS..EExtended strand (participates in β ladder)trans-110146.1170.400000109.8T1528 L1529A1520-T1528 CarbonylContact O-C 3.54Å; A1520-T1528 WeakPolarHBondContact O-CG2 3.43Å; A1520-L1529 HydrophobicContact CB-CB 4.44Å; A1520-L1529 PolarHBondContact N-O 2.88Å; A1520-L1529 PolarHBondContact O-N 2.71Å; A1520-L1529 VanDerWaalsContact O-O 3.08Å
1521Y83.9Confident81.6Confident138 Ų13879.1 Ų79.154%0.54143%0.427SS..EExtended strand (participates in β ladder)trans-125.4131.6175.2171.5-105000108P1523 E1527 T1528Y1521-P1523 HydrophobicContact CD1-CG 3.97Å; Y1521-P1523 HydrophobicContact CE1-CB 4Å; Y1521-P1523 HydrophobicContact CE1-CG 3.91Å; Y1521-P1523 WeakPolarHBondContact O-CD 3.47Å; Y1521-E1527 WeakPolarHBondContact CD2-O 3.35Å; Y1521-T1528 WeakPolarHBondContact CD2-OG1 3.41Å
1522D83.7Confident82Confident78 Ų7875 Ų7542%0.41740%0.397SS..EExtended strand (participates in β ladder)trans-98.6109.4172.8-171.7-15000109.7A1524 G1526 E1527D1522-A1524 PolarHBondContact O-N 3.15Å; D1522-A1524 VanDerWaalsContact OD1-CB 3.28Å; D1522-A1524 WeakPolarHBondContact OD1-CB 3.01Å; D1522-A1524 PolarHBondContact OD1-N 3.22Å; D1522-G1526 VanDerWaalsContact O-CA 3.23Å; D1522-G1526 WeakPolarHBondContact O-CA 3.34Å; D1522-G1526 PolarHBondContact O-N 3.1Å; D1522-E1527 PolarHBondContact N-O 2.98Å
1523P72.6Confident81.9Confident106 Ų10676.4 Ų76.469%0.68841%0.406SS*.THydrogen-bonded Turntrans-67.5-10.5177.6-17.631.9000114.8Y1521Y1521-P1523 HydrophobicContact CD1-CG 3.97Å; Y1521-P1523 HydrophobicContact CE1-CB 4Å; Y1521-P1523 HydrophobicContact CE1-CG 3.91Å; Y1521-P1523 WeakPolarHBondContact O-CD 3.47Å
1524A74.2Confident81.8Confident91 Ų9173.7 Ų73.775%0.75240%0.396SS*.THydrogen-bonded Turntrans-87.4-33.1-179.700000113.1D1522D1522-A1524 PolarHBondContact O-N 3.15Å; D1522-A1524 VanDerWaalsContact OD1-CB 3.28Å; D1522-A1524 WeakPolarHBondContact OD1-CB 3.01Å; D1522-A1524 PolarHBondContact OD1-N 3.22Å
1525T77.5Confident81.9Confident63 Ų6372.3 Ų72.339%0.38738%0.384SS..THydrogen-bonded Turntrans-100.1-21.8171.565.20000112.6E1527 H1543T1525-E1527 VanDerWaalsContact C-N 3.27Å; T1525-E1527 VanDerWaalsContact CB-OE2 3.24Å; T1525-E1527 WeakPolarHBondContact CB-OE2 3.48Å; T1525-E1527 WeakPolarHBondContact OG1-CB 2.94Å; T1525-E1527 VanDerWaalsContact OG1-CG 3.27Å; T1525-E1527 WeakPolarHBondContact OG1-CG 3.31Å; T1525-E1527 PolarHBondContact OG1-N 3.34Å; T1525-E1527 PolarHBondContact OG1-OE2 2.78Å; T1525-H1543 PolarHBondContact O-CD2 3.37Å
1526G78.7Confident81.9Confident8 Ų876.6 Ų76.68%0.08241%0.407CS..THydrogen-bonded Turntrans70.621.6-172.400000113.6D1522D1522-G1526 VanDerWaalsContact O-CA 3.23Å; D1522-G1526 WeakPolarHBondContact O-CA 3.34Å; D1522-G1526 PolarHBondContact O-N 3.1Å
1527E85.7Confident82Confident78 Ų7871.6 Ų71.636%0.36438%0.384SS..EExtended strand (participates in β ladder)trans-93.3145.5177.7-56.9173.1119.700110.8Y1521 D1522 T1525 V1540 E1541Y1521-E1527 WeakPolarHBondContact CD2-O 3.35Å; D1522-E1527 PolarHBondContact N-O 2.98Å; T1525-E1527 VanDerWaalsContact C-N 3.27Å; T1525-E1527 VanDerWaalsContact CB-OE2 3.24Å; T1525-E1527 WeakPolarHBondContact CB-OE2 3.48Å; T1525-E1527 WeakPolarHBondContact OG1-CB 2.94Å; T1525-E1527 VanDerWaalsContact OG1-CG 3.27Å; T1525-E1527 WeakPolarHBondContact OG1-CG 3.31Å; T1525-E1527 PolarHBondContact OG1-N 3.34Å; T1525-E1527 PolarHBondContact OG1-OE2 2.78Å; E1527-V1540 HydrophobicContact CB-CG1 4.28Å; E1527-E1541 WeakPolarHBondContact CA-O 3.5Å
1528T84.3Confident82.2Confident22 Ų2273.4 Ų73.414%0.13539%0.39CS..EExtended strand (participates in β ladder)trans-109.3120.3174.1-48.50000110.3R1519 A1520 Y1521 Y1530 V1540 E1541R1519-T1528 HydrophobicContact CG-CG2 3.53Å; A1520-T1528 CarbonylContact O-C 3.54Å; A1520-T1528 WeakPolarHBondContact O-CG2 3.43Å; Y1521-T1528 WeakPolarHBondContact CD2-OG1 3.41Å; T1528-Y1530 HydrophobicContact CG2-CD2 4.19Å; T1528-Y1530 HydrophobicContact CG2-CE2 3.56Å; T1528-V1540 CarbonylContact O-C 3.57Å; T1528-V1540 WeakPolarHBondContact O-CA 3.43Å; T1528-E1541 PolarHBondContact N-O 3.41Å; T1528-E1541 PolarHBondContact O-N 3.21Å
1529L87.2Confident82.5Confident70 Ų7068.7 Ų68.737%0.36637%0.369SS..EExtended strand (participates in β ladder)trans-95.9126.9174.7178.369.8000109.8R1519 A1520 T1531 I1538 V1540R1519-L1529 CarbonylContact C-O 3.58Å; R1519-L1529 WeakPolarHBondContact CA-O 3.35Å; A1520-L1529 HydrophobicContact CB-CB 4.44Å; A1520-L1529 PolarHBondContact N-O 2.88Å; A1520-L1529 PolarHBondContact O-N 2.71Å; A1520-L1529 VanDerWaalsContact O-O 3.08Å; L1529-T1531 HydrophobicContact CD1-CG2 4.18Å; L1529-T1531 HydrophobicContact CD2-CG2 4.27Å; L1529-T1531 HydrophobicContact CG-CG2 4.07Å; L1529-I1538 HydrophobicContact CD1-CG2 3.67Å; L1529-V1540 HydrophobicContact CD1-CG2 3.84Å
1530Y87.4Confident82.6Confident40 Ų4061.7 Ų61.716%0.15735%0.346CS..EExtended strand (participates in β ladder)trans-111.6130.6168.7-57.9-103.8000108.2F1518 R1519 T1528 I1538 A1539 E1541F1518-Y1530 CarbonylContact O-C 3.55Å; F1518-Y1530 VanDerWaalsContact O-CA 3.3Å; F1518-Y1530 WeakPolarHBondContact O-CA 3.3Å; R1519-Y1530 HydrophobicContact CB-CD1 4.1Å; R1519-Y1530 HydrophobicContact CB-CE1 4.24Å; R1519-Y1530 VanDerWaalsContact CD-CE1 3.42Å; R1519-Y1530 HydrophobicContact CG-CD1 3.91Å; R1519-Y1530 HydrophobicContact CG-CE1 3.7Å; R1519-Y1530 HydrophobicContact CG-CG 4.47Å; T1528-Y1530 HydrophobicContact CG2-CD2 4.19Å; T1528-Y1530 HydrophobicContact CG2-CE2 3.56Å; Y1530-I1538 WeakPolarHBondContact O-CA 3.35Å; Y1530-A1539 PolarHBondContact N-O 2.79Å; Y1530-A1539 PolarHBondContact O-N 2.88Å; Y1530-E1541 HydrophobicContact CE2-CB 4.08Å; Y1530-E1541 WeakPolarHBondContact CE2-OE2 3.24Å; Y1530-E1541 PolarHBondContact OH-OE2 2.84Å
1531T86Confident82.9Confident47 Ų4762.7 Ų62.729%0.28834%0.341SS..EExtended strand (participates in β ladder)trans-129.6145.1172.258.30000111.1S1517 F1518 L1529 L1537 I1538S1517-T1531 WeakPolarHBondContact CA-O 3.33Å; F1518-T1531 PolarHBondContact N-O 2.89Å; F1518-T1531 PolarHBondContact O-N 3.05Å; L1529-T1531 HydrophobicContact CD1-CG2 4.18Å; L1529-T1531 HydrophobicContact CD2-CG2 4.27Å; L1529-T1531 HydrophobicContact CG-CG2 4.07Å; T1531-L1537 WeakPolarHBondContact CA-O 3.29Å; T1531-I1538 HydrophobicContact CG2-CG1 4.21Å; T1531-I1538 HydrophobicContact CG2-CG2 4.31Å
1532R84.3Confident82.9Confident19 Ų1956.9 Ų56.97%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-131.8106.3-178.5-168.3160.567.8-159.710.3108.6L1453 L1515 E1516 E1534 D1535 N1536 L1537L1453-R1532 PolarHBondContact O-NH1 3.07Å; L1515-R1532 HydrophobicContact CB-CG 4.03Å; L1515-R1532 HydrophobicContact CD1-CG 4.37Å; E1516-R1532 WeakPolarHBondContact O-CG 3.45Å; R1532-E1534 PolarHBondContact O-N 2.99Å; R1532-D1535 WeakPolarHBondContact CB-OD1 3.31Å; R1532-D1535 VanDerWaalsContact CG-OD1 3.27Å; R1532-D1535 WeakPolarHBondContact CG-OD1 3.43Å; R1532-D1535 IonicContact CZ-OD1 3.76Å; R1532-D1535 IonicContact CZ-OD2 2.76Å; R1532-D1535 VanDerWaalsContact NE-CG 3.34Å; R1532-D1535 IonicContact NE-OD1 2.95Å; R1532-D1535 PolarHBondContact NE-OD1 2.88Å; R1532-D1535 IonicContact NE-OD2 2.68Å; R1532-D1535 PolarHBondContact NE-OD2 3.38Å; R1532-D1535 VanDerWaalsContact NE-OD2 3.17Å; R1532-D1535 IonicContact NH2-OD1 3.39Å; R1532-D1535 IonicContact NH2-OD2 3.67Å; R1532-D1535 PolarHBondContact NH2-OD2 2.95Å; R1532-N1536 CarbonylContact O-C 3.6Å; R1532-N1536 WeakPolarHBondContact O-CA 3.45Å; R1532-N1536 PolarHBondContact O-N 3.39Å; R1532-L1537 HydrophobicContact CB-CB 4.08Å; R1532-L1537 PolarHBondContact N-O 3.33Å; R1532-L1537 PolarHBondContact O-N 3.15Å
1533P79.6Confident82.8Confident60 Ų6057 Ų5739%0.3932%0.318SS..G310 helixtrans-68.9-33.9-168.7-17.729.5000113.5E1516 F1518 D1535 N1536E1516-P1533 WeakPolarHBondContact O-CD 3.33Å; F1518-P1533 HydrophobicContact CD2-CG 3.98Å; F1518-P1533 HydrophobicContact CE2-CG 3.69Å; P1533-D1535 VanDerWaalsContact C-N 3.31Å; P1533-D1535 PolarHBondContact O-N 2.69Å; P1533-N1536 PolarHBondContact O-N 2.77Å
1534E77.6Confident82.9Confident123 Ų12357.3 Ų57.358%0.57532%0.32SS*.G310 helixtrans-64.8-30-173.2-73.1178.2-9900113.9L1515 E1516 R1532L1515-E1534 WeakPolarHBondContact CA-OE1 3.45Å; L1515-E1534 HydrophobicContact CD2-CB 3.71Å; L1515-E1534 HydrophobicContact CD2-CG 4.28Å; L1515-E1534 WeakPolarHBondContact CD2-OE2 3.17Å; E1516-E1534 PolarHBondContact N-OE1 3.37Å; R1532-E1534 PolarHBondContact O-N 2.99Å
1535D81Confident83.1Confident58 Ų5859.7 Ų59.731%0.3132%0.32SS..G310 helixtrans-121.112173.369.7-21000113.2R1532 P1533 L1537R1532-D1535 WeakPolarHBondContact CB-OD1 3.31Å; R1532-D1535 VanDerWaalsContact CG-OD1 3.27Å; R1532-D1535 WeakPolarHBondContact CG-OD1 3.43Å; R1532-D1535 IonicContact CZ-OD1 3.76Å; R1532-D1535 IonicContact CZ-OD2 2.76Å; R1532-D1535 VanDerWaalsContact NE-CG 3.34Å; R1532-D1535 IonicContact NE-OD1 2.95Å; R1532-D1535 PolarHBondContact NE-OD1 2.88Å; R1532-D1535 IonicContact NE-OD2 2.68Å; R1532-D1535 PolarHBondContact NE-OD2 3.38Å; R1532-D1535 VanDerWaalsContact NE-OD2 3.17Å; R1532-D1535 IonicContact NH2-OD1 3.39Å; R1532-D1535 IonicContact NH2-OD2 3.67Å; R1532-D1535 PolarHBondContact NH2-OD2 2.95Å; P1533-D1535 VanDerWaalsContact C-N 3.31Å; P1533-D1535 PolarHBondContact O-N 2.69Å; D1535-L1537 PolarHBondContact O-N 3.33Å; D1535-L1537 VanDerWaalsContact O-N 3.07Å; D1535-L1537 PolarHBondContact OD1-N 2.77Å
1536N82.5Confident83.1Confident109 Ų10958.7 Ų58.758%0.58332%0.316SS*.THydrogen-bonded Turntrans46.531.2-175.3-67.9-73.2000114.7R1532 P1533 A1555R1532-N1536 CarbonylContact O-C 3.6Å; R1532-N1536 WeakPolarHBondContact O-CA 3.45Å; R1532-N1536 PolarHBondContact O-N 3.39Å; P1533-N1536 PolarHBondContact O-N 2.77Å; N1536-A1555 HydrophobicContact CB-CB 3.79Å
1537L85.8Confident83Confident13 Ų1361.3 Ų61.37%0.06833%0.331CS..EExtended strand (participates in β ladder)trans-68135.4174.5-164.885.9000110.4L1454 T1531 R1532 D1535 V1552 H1554L1454-L1537 HydrophobicContact CD2-CD2 4.21Å; T1531-L1537 WeakPolarHBondContact CA-O 3.29Å; R1532-L1537 HydrophobicContact CB-CB 4.08Å; R1532-L1537 PolarHBondContact N-O 3.33Å; R1532-L1537 PolarHBondContact O-N 3.15Å; D1535-L1537 PolarHBondContact O-N 3.33Å; D1535-L1537 VanDerWaalsContact O-N 3.07Å; D1535-L1537 PolarHBondContact OD1-N 2.77Å; L1537-V1552 HydrophobicContact CD1-CG1 3.69Å; L1537-V1552 HydrophobicContact CD2-CG1 4.25Å; L1537-V1552 HydrophobicContact CG-CG1 4.12Å; L1537-H1554 VanDerWaalsContact CD1-CE1 3.44Å; L1537-H1554 WeakPolarHBondContact CD1-CE1 3.22Å; L1537-H1554 VanDerWaalsContact CD1-ND1 3.35Å; L1537-H1554 WeakPolarHBondContact CD1-ND1 3.33Å
1538I86.8Confident82.7Confident78 Ų7861.8 Ų61.840%0.433%0.332SS..EExtended strand (participates in β ladder)trans-122.4125.6169.2-56177.2000108L1529 Y1530 T1531 Q1553L1529-I1538 HydrophobicContact CD1-CG2 3.67Å; Y1530-I1538 WeakPolarHBondContact O-CA 3.35Å; T1531-I1538 HydrophobicContact CG2-CG1 4.21Å; T1531-I1538 HydrophobicContact CG2-CG2 4.31Å; I1538-Q1553 HydrophobicContact CB-CB 4.28Å; I1538-Q1553 PolarHBondContact N-O 2.83Å; I1538-Q1553 PolarHBondContact O-N 2.91Å
1539A87.8Confident82.6Confident0 Ų066.7 Ų66.70%035%0.352CS..EExtended strand (participates in β ladder)trans-128.2135.7172.600000111.1L1454 Y1530 L1550 I1551 V1552L1454-A1539 HydrophobicContact CD2-CB 3.86Å; Y1530-A1539 PolarHBondContact N-O 2.79Å; Y1530-A1539 PolarHBondContact O-N 2.88Å; A1539-L1550 HydrophobicContact CB-CD1 4.43Å; A1539-I1551 CarbonylContact C-O 3.59Å; A1539-I1551 VanDerWaalsContact CA-O 3.28Å; A1539-I1551 WeakPolarHBondContact CA-O 3.43Å; A1539-V1552 HydrophobicContact CB-CG1 4.46Å; A1539-V1552 HydrophobicContact CB-CG2 4.12Å
1540V87.9Confident82.6Confident37 Ų3764.4 Ų64.422%0.22434%0.34CS..EExtended strand (participates in β ladder)trans-117122.5176.7-176.80000108.7E1527 T1528 L1529 P1542 I1551E1527-V1540 HydrophobicContact CB-CG1 4.28Å; T1528-V1540 CarbonylContact O-C 3.57Å; T1528-V1540 WeakPolarHBondContact O-CA 3.43Å; L1529-V1540 HydrophobicContact CD1-CG2 3.84Å; V1540-P1542 WeakPolarHBondContact O-CD 3.23Å; V1540-I1551 HydrophobicContact CB-CB 4.45Å; V1540-I1551 PolarHBondContact N-O 2.56Å; V1540-I1551 PolarHBondContact O-N 3.41Å
1541E86.1Confident82.6Confident79 Ų7963.9 Ų63.937%0.36934%0.34SS..EExtended strand (participates in β ladder)trans-97.8104.7169.7-179.2168.8-149.400107.1E1527 T1528 Y1530 L1550E1527-E1541 WeakPolarHBondContact CA-O 3.5Å; T1528-E1541 PolarHBondContact N-O 3.41Å; T1528-E1541 PolarHBondContact O-N 3.21Å; Y1530-E1541 HydrophobicContact CE2-CB 4.08Å; Y1530-E1541 WeakPolarHBondContact CE2-OE2 3.24Å; Y1530-E1541 PolarHBondContact OH-OE2 2.84Å; E1541-L1550 HydrophobicContact CB-CD1 4.23Å
1542P85.2Confident82.8Confident15 Ų1562.3 Ų62.310%0.09733%0.33CS..  trans-71.6174.2-172.1-22.337.4000113.7V1540 F1548 I1551V1540-P1542 WeakPolarHBondContact O-CD 3.23Å; P1542-F1548 WeakPolarHBondContact CD-O 3.47Å; P1542-F1548 HydrophobicContact CG-CB 3.92Å; P1542-F1548 WeakPolarHBondContact CG-O 3.42Å; P1542-I1551 HydrophobicContact CG-CD1 4.16Å; P1542-I1551 HydrophobicContact CG-CG1 4.45Å
1543H80.2Confident82.9Confident82 Ų8264.1 Ų64.138%0.3834%0.339SS..  trans-49.5136.8173.2-168.5-91.9000111.4T1525 D1545 S1546T1525-H1543 PolarHBondContact O-CD2 3.37Å; H1543-D1545 IonicContact CE1-OD2 3.17Å; H1543-D1545 PolarHBondContact CE1-OD2 2.95Å; H1543-D1545 PolarHBondContact ND1-N 2.95Å; H1543-D1545 IonicContact ND1-OD2 3.55Å; H1543-D1545 PolarHBondContact O-N 3.32Å; H1543-S1546 WeakPolarHBondContact O-CB 3.3Å; H1543-S1546 PolarHBondContact O-N 2.94Å
1544P75.6Confident83.1Confident111 Ų11164.5 Ų64.572%0.72134%0.336SS*.THydrogen-bonded Turntrans-62.8-18-171.622.4-34.9000115.9S1546P1544-S1546 VanDerWaalsContact C-N 3.27Å
1545D77.3Confident83.1Confident142 Ų14262 Ų6276%0.75934%0.336SS*.THydrogen-bonded Turntrans-81.4-3.2172.4-60.7-32.2000113.4H1543H1543-D1545 IonicContact CE1-OD2 3.17Å; H1543-D1545 PolarHBondContact CE1-OD2 2.95Å; H1543-D1545 PolarHBondContact ND1-N 2.95Å; H1543-D1545 IonicContact ND1-OD2 3.55Å; H1543-D1545 PolarHBondContact O-N 3.32Å
1546S77.6Confident83Confident41 Ų4163 Ų6329%0.28734%0.341SS..SBendtrans-75.8144179.4-174.40000111.9H1543 P1544 F1548H1543-S1546 WeakPolarHBondContact O-CB 3.3Å; H1543-S1546 PolarHBondContact O-N 2.94Å; P1544-S1546 VanDerWaalsContact C-N 3.27Å; S1546-F1548 PolarHBondContact O-N 3.37Å; S1546-F1548 PolarHBondContact OG-N 3.31Å; S1546-F1548 VanDerWaalsContact OG-N 3.14Å
1547P77.3Confident82.9Confident64 Ų6459.1 Ų59.142%0.41633%0.328SS..SBendtrans-67.9-13.3167.331-36.3000112.5I1563 L1564P1547-I1563 CarbonylContact O-C 3.29Å; P1547-I1563 WeakPolarHBondContact O-CA 3.08Å; P1547-L1564 PolarHBondContact O-N 3.12Å
1548F79.3Confident82.8Confident87 Ų8760 Ų6038%0.38233%0.333SS..EExtended strand (participates in β ladder)trans-91.2115.5177.3-57.9-67.4000110.3P1542 S1546 T1561 Q1562 I1563P1542-F1548 WeakPolarHBondContact CD-O 3.47Å; P1542-F1548 HydrophobicContact CG-CB 3.92Å; P1542-F1548 WeakPolarHBondContact CG-O 3.42Å; S1546-F1548 PolarHBondContact O-N 3.37Å; S1546-F1548 PolarHBondContact OG-N 3.31Å; S1546-F1548 VanDerWaalsContact OG-N 3.14Å; F1548-T1561 HydrophobicContact CD1-CG2 3.49Å; F1548-T1561 VanDerWaalsContact CD1-CG2 3.49Å; F1548-T1561 HydrophobicContact CE1-CG2 3.85Å; F1548-Q1562 CarbonylContact C-O 3.6Å; F1548-Q1562 WeakPolarHBondContact CA-O 3.43Å; F1548-I1563 HydrophobicContact CD1-CG1 3.96Å; F1548-I1563 HydrophobicContact CE1-CD1 4.14Å; F1548-I1563 HydrophobicContact CE1-CG1 3.97Å
1549K82.3Confident82.6Confident126 Ų12660.5 Ų60.555%0.54833%0.33SS..EExtended strand (participates in β ladder)trans-82.5-40.6-179.4-178.7175.8179.8179.60113Q1562K1549-Q1562 HydrophobicContact CB-CB 4.34Å; K1549-Q1562 PolarHBondContact N-O 2.94Å
1550L87.7Confident82.5Confident22 Ų2263 Ų6312%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-159.1134.8-178.2-17470.5000109.3L1454 A1539 E1541 V1552 Q1562L1454-L1550 HydrophobicContact CD1-CD1 4.37Å; L1454-L1550 HydrophobicContact CD1-CD2 4.09Å; A1539-L1550 HydrophobicContact CB-CD1 4.43Å; E1541-L1550 HydrophobicContact CB-CD1 4.23Å; L1550-V1552 HydrophobicContact CD2-CG2 3.68Å; L1550-V1552 HydrophobicContact CG-CG2 3.88Å; L1550-Q1562 HydrophobicContact CB-CB 4.41Å; L1550-Q1562 HydrophobicContact CB-CG 4.37Å; L1550-Q1562 PolarHBondContact O-N 3.1Å
1551I86.9Confident82.4Confident29 Ų2961.4 Ų61.415%0.14933%0.334CS..EExtended strand (participates in β ladder)trans-117.5114.7173.4-59.2169.5000106.5A1539 V1540 P1542 R1559 T1561A1539-I1551 CarbonylContact C-O 3.59Å; A1539-I1551 VanDerWaalsContact CA-O 3.28Å; A1539-I1551 WeakPolarHBondContact CA-O 3.43Å; V1540-I1551 HydrophobicContact CB-CB 4.45Å; V1540-I1551 PolarHBondContact N-O 2.56Å; V1540-I1551 PolarHBondContact O-N 3.41Å; P1542-I1551 HydrophobicContact CG-CD1 4.16Å; P1542-I1551 HydrophobicContact CG-CG1 4.45Å; I1551-R1559 HydrophobicContact CG2-CG 4.27Å; I1551-T1561 HydrophobicContact CG1-CG2 4.16Å
1552V89.3Confident82.4Confident14 Ų1459.8 Ų59.89%0.08533%0.326CS..EExtended strand (participates in β ladder)trans-107.3138.3174.7-172.90000108.9L1537 A1539 L1550 R1559 L1560L1537-V1552 HydrophobicContact CD1-CG1 3.69Å; L1537-V1552 HydrophobicContact CD2-CG1 4.25Å; L1537-V1552 HydrophobicContact CG-CG1 4.12Å; A1539-V1552 HydrophobicContact CB-CG1 4.46Å; A1539-V1552 HydrophobicContact CB-CG2 4.12Å; L1550-V1552 HydrophobicContact CD2-CG2 3.68Å; L1550-V1552 HydrophobicContact CG-CG2 3.88Å; V1552-R1559 CarbonylContact O-C 3.59Å; V1552-R1559 VanDerWaalsContact O-CA 3.28Å; V1552-R1559 WeakPolarHBondContact O-CA 3.32Å; V1552-L1560 HydrophobicContact CB-CB 4.33Å; V1552-L1560 PolarHBondContact N-O 2.88Å; V1552-L1560 PolarHBondContact O-N 2.96Å
1553Q86.8Confident82.3Confident56 Ų5660.6 Ų60.626%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-125.8118.6175.917967.365.900107.6I1538 G1557 T1558I1538-Q1553 HydrophobicContact CB-CB 4.28Å; I1538-Q1553 PolarHBondContact N-O 2.83Å; I1538-Q1553 PolarHBondContact O-N 2.91Å; Q1553-G1557 PolarHBondContact NE2-O 3.25Å; Q1553-T1558 PolarHBondContact NE2-O 3.38Å
1554H83.5Confident82.3Confident69 Ų6960.4 Ų60.432%0.31933%0.331SS..  trans-90158.8173.5-68.2-97.2000110.5L1537 D1556 G1557 T1558L1537-H1554 VanDerWaalsContact CD1-CE1 3.44Å; L1537-H1554 WeakPolarHBondContact CD1-CE1 3.22Å; L1537-H1554 VanDerWaalsContact CD1-ND1 3.35Å; L1537-H1554 WeakPolarHBondContact CD1-ND1 3.33Å; H1554-D1556 WeakPolarHBondContact CB-OD1 3.15Å; H1554-D1556 PolarHBondContact O-N 2.84Å; H1554-G1557 PolarHBondContact O-N 2.93Å; H1554-G1557 VanDerWaalsContact O-N 3.13Å; H1554-T1558 PolarHBondContact N-O 3.23Å
1555A77.6Confident82.1Confident71 Ų7159.7 Ų59.759%0.58732%0.32SS*.THydrogen-bonded Turntrans-66.4-23.3-174.700000114.4N1536 G1557N1536-A1555 HydrophobicContact CB-CB 3.79Å; A1555-G1557 PolarHBondContact O-N 2.86Å
1556D80Confident81.4Confident77 Ų7756.8 Ų56.841%0.41232%0.316SS..THydrogen-bonded Turntrans-73.1-6.317468.4-26.8000113.6H1554 T1558H1554-D1556 WeakPolarHBondContact CB-OD1 3.15Å; H1554-D1556 PolarHBondContact O-N 2.84Å; D1556-T1558 VanDerWaalsContact CG-OG1 3.32Å; D1556-T1558 VanDerWaalsContact OD1-CB 3.29Å; D1556-T1558 WeakPolarHBondContact OD1-CB 3.44Å; D1556-T1558 PolarHBondContact OD1-N 2.9Å; D1556-T1558 PolarHBondContact OD1-OG1 2.84Å; D1556-T1558 VanDerWaalsContact OD2-CB 3.29Å; D1556-T1558 WeakPolarHBondContact OD2-CB 3.23Å; D1556-T1558 PolarHBondContact OD2-OG1 3.5Å
1557G79.8Confident80.2Confident29 Ų2958.5 Ų58.530%0.29933%0.328SS..SBendtrans95.6-6.7-173.300000114.4Q1553 H1554 A1555 R1559Q1553-G1557 PolarHBondContact NE2-O 3.25Å; H1554-G1557 PolarHBondContact O-N 2.93Å; H1554-G1557 VanDerWaalsContact O-N 3.13Å; A1555-G1557 PolarHBondContact O-N 2.86Å; G1557-R1559 PolarHBondContact O-N 3.45Å
1558T83Confident78.6Confident31 Ų3163.9 Ų63.919%0.1935%0.348CS..  trans-71.6122.5179.8-63.80000111.6Q1553 H1554 D1556 L1560 T1592Q1553-T1558 PolarHBondContact NE2-O 3.38Å; H1554-T1558 PolarHBondContact N-O 3.23Å; D1556-T1558 VanDerWaalsContact CG-OG1 3.32Å; D1556-T1558 VanDerWaalsContact OD1-CB 3.29Å; D1556-T1558 WeakPolarHBondContact OD1-CB 3.44Å; D1556-T1558 PolarHBondContact OD1-N 2.9Å; D1556-T1558 PolarHBondContact OD1-OG1 2.84Å; D1556-T1558 VanDerWaalsContact OD2-CB 3.29Å; D1556-T1558 WeakPolarHBondContact OD2-CB 3.23Å; D1556-T1558 PolarHBondContact OD2-OG1 3.5Å; T1558-L1560 HydrophobicContact CG2-CD2 4.36Å; T1558-T1592 HydrophobicContact CG2-CG2 4.29Å
1559R83.7Confident76.6Confident88 Ų8868.1 Ų68.133%0.33237%0.366SS..EExtended strand (participates in β ladder)trans-114.4128.6-179.7-167.9175.3177.9-131.87.6111.2I1551 V1552 G1557 T1592 E1593I1551-R1559 HydrophobicContact CG2-CG 4.27Å; V1552-R1559 CarbonylContact O-C 3.59Å; V1552-R1559 VanDerWaalsContact O-CA 3.28Å; V1552-R1559 WeakPolarHBondContact O-CA 3.32Å; G1557-R1559 PolarHBondContact O-N 3.45Å; R1559-T1592 WeakPolarHBondContact O-CA 3.35Å; R1559-E1593 HydrophobicContact CB-CG 3.85Å; R1559-E1593 WeakPolarHBondContact CD-OE1 3.43Å; R1559-E1593 HydrophobicContact CG-CG 4.44Å; R1559-E1593 IonicContact CZ-OE1 3.64Å; R1559-E1593 PolarHBondContact N-O 3.5Å; R1559-E1593 IonicContact NE-OE1 3.88Å; R1559-E1593 IonicContact NH1-OE1 2.69Å; R1559-E1593 PolarHBondContact NH1-OE1 2.75Å; R1559-E1593 PolarHBondContact O-N 2.79Å
1560L85.6Confident74.3Confident52 Ų5268 Ų6827%0.27238%0.375SS..EExtended strand (participates in β ladder)trans-118106.2-178.4-58174.4000109.6V1552 T1558 I1590 T1592V1552-L1560 HydrophobicContact CB-CB 4.33Å; V1552-L1560 PolarHBondContact N-O 2.88Å; V1552-L1560 PolarHBondContact O-N 2.96Å; T1558-L1560 HydrophobicContact CG2-CD2 4.36Å; L1560-I1590 HydrophobicContact CD2-CG2 4.49Å; L1560-T1592 HydrophobicContact CD2-CG2 3.75Å; L1560-T1592 VanDerWaalsContact CD2-OG1 3.26Å; L1560-T1592 WeakPolarHBondContact CD2-OG1 3.39Å
1561T85.6Confident71.5Confident5 Ų574 Ų743%0.03141%0.407CS..EExtended strand (participates in β ladder)trans-105116.8-179.9-63.40000110.6F1548 I1551 I1563 I1590 R1591F1548-T1561 HydrophobicContact CD1-CG2 3.49Å; F1548-T1561 VanDerWaalsContact CD1-CG2 3.49Å; F1548-T1561 HydrophobicContact CE1-CG2 3.85Å; I1551-T1561 HydrophobicContact CG1-CG2 4.16Å; T1561-I1563 HydrophobicContact CG2-CG1 4.02Å; T1561-I1590 CarbonylContact O-C 3.55Å; T1561-I1590 WeakPolarHBondContact O-CA 3.47Å; T1561-R1591 PolarHBondContact N-O 2.93Å; T1561-R1591 PolarHBondContact O-N 3.29Å
1562Q86.2Confident68.8Low44 Ų4479.5 Ų79.521%0.20644%0.437CS..EExtended strand (participates in β ladder)trans-89.4119.1175.5-59.3-175.523.100110.1F1548 K1549 L1550 M1588 F1589F1548-Q1562 CarbonylContact C-O 3.6Å; F1548-Q1562 WeakPolarHBondContact CA-O 3.43Å; K1549-Q1562 HydrophobicContact CB-CB 4.34Å; K1549-Q1562 PolarHBondContact N-O 2.94Å; L1550-Q1562 HydrophobicContact CB-CB 4.41Å; L1550-Q1562 HydrophobicContact CB-CG 4.37Å; L1550-Q1562 PolarHBondContact O-N 3.1Å; Q1562-M1588 HydrophobicContact CB-CE 3.97Å; Q1562-M1588 HydrophobicContact CG-CE 4.12Å; Q1562-F1589 WeakPolarHBondContact CA-O 3.24Å
1563I82.2Confident65.8Low32 Ų3288.6 Ų88.616%0.16448%0.479CS..EExtended strand (participates in β ladder)trans-112.3131.9-178-45.6176.2000108.7P1547 F1548 T1561 L1565 M1588 F1589 R1591P1547-I1563 CarbonylContact O-C 3.29Å; P1547-I1563 WeakPolarHBondContact O-CA 3.08Å; F1548-I1563 HydrophobicContact CD1-CG1 3.96Å; F1548-I1563 HydrophobicContact CE1-CD1 4.14Å; F1548-I1563 HydrophobicContact CE1-CG1 3.97Å; T1561-I1563 HydrophobicContact CG2-CG1 4.02Å; I1563-L1565 HydrophobicContact CG2-CG 4.32Å; I1563-M1588 CarbonylContact O-C 3.59Å; I1563-M1588 WeakPolarHBondContact O-CA 3.41Å; I1563-F1589 HydrophobicContact CB-CB 4.34Å; I1563-F1589 PolarHBondContact N-O 3.04Å; I1563-F1589 PolarHBondContact O-N 3.24Å; I1563-R1591 HydrophobicContact CD1-CB 4.43Å
1564L80.5Confident62.9Low78 Ų7891 Ų9141%0.40850%0.5SS..EExtended strand (participates in β ladder)trans-115.1104.4174.5-17669000109.2P1547 A1566 P1586 M1588P1547-L1564 PolarHBondContact O-N 3.12Å; L1564-A1566 PolarHBondContact O-N 3.03Å; L1564-P1586 HydrophobicContact CD1-CB 4.18Å; L1564-M1588 HydrophobicContact CD1-CB 4.3Å
1565L71.1Confident60.2Low97 Ų9794.3 Ų94.351%0.50852%0.521SS..EExtended strand (participates in β ladder)trans-89106.5176.8-76.4169.3000109.8I1563 P1586 Q1587 F1589I1563-L1565 HydrophobicContact CG2-CG 4.32Å; L1565-P1586 WeakPolarHBondContact O-CA 3.25Å; L1565-Q1587 PolarHBondContact N-O 3.42Å; L1565-Q1587 PolarHBondContact O-N 3.45Å; L1565-Q1587 VanDerWaalsContact O-N 3.11Å; L1565-F1589 HydrophobicContact CB-CE2 4.42Å; L1565-F1589 HydrophobicContact CD1-CD2 4.11Å; L1565-F1589 HydrophobicContact CD1-CE2 3.75Å; L1565-F1589 HydrophobicContact CD1-CZ 4.41Å; L1565-F1589 HydrophobicContact CG-CE2 4.48Å
1566A63.4Low57.6Low80 Ų8092.5 Ų92.566%0.66150%0.504SS*.  trans-84.2134.7167.900000110.1L1564 E1568L1564-A1566 PolarHBondContact O-N 3.03Å; A1566-E1568 PolarHBondContact O-N 2.83Å
1567S52.8Low55.3Low77 Ų7791.7 Ų91.754%0.53850%0.501SS..  trans-73.1113.7175.2171.40000109.8
1568E44Very low52.7Low178 Ų17895.3 Ų95.383%0.83251%0.514SS*.  trans-66.5140.9177.9-173.8165.4-157.400111.6A1566 V1570A1566-E1568 PolarHBondContact O-N 2.83Å; E1568-V1570 PolarHBondContact O-N 2.96Å
1569K36.5Very low50.3Low176 Ų176100.8 Ų100.877%0.76554%0.541SS*.  trans-92.898.2177.7-70.8-179.7-179.1173.90110N1571K1569-N1571 PolarHBondContact O-N 3.32Å; K1569-N1571 VanDerWaalsContact O-N 3.08Å
1570V33.8Very low47.5Very low123 Ų123104.5 Ų104.575%0.74557%0.568SS**  trans-62.8109.9162.8-177.50000108.1E1568 D1572E1568-V1570 PolarHBondContact O-N 2.96Å; V1570-D1572 PolarHBondContact O-N 3.46Å
1571N29.2Very low44.9Very low147 Ų147106.7 Ų106.779%0.78659%0.587SS**  trans-87.485.1176.5-75.9-30.9000109.6K1569K1569-N1571 PolarHBondContact O-N 3.32Å; K1569-N1571 VanDerWaalsContact O-N 3.08Å
1572D29.7Very low42.3Very low145 Ų145114 Ų11478%0.77563%0.626SS**  trans-121.3126164.4-92-54.7000110.9V1570 C1574V1570-D1572 PolarHBondContact O-N 3.46Å; D1572-C1574 PolarHBondContact O-N 2.97Å
1573E27.1Very low39.9Very low206 Ų206116.1 Ų116.196%0.96365%0.651SS**  trans-86.590.5-176.5-65.8-167.9129.600111.1
1574C24.7Very low38.4Very low106 Ų106120.5 Ų120.572%0.71668%0.675SS**  trans-139.4129.7163.7-1620000113.7D1572 S1576D1572-C1574 PolarHBondContact O-N 2.97Å; C1574-S1576 PolarHBondContact O-N 3.13Å
1575N26.9Very low37.5Very low139 Ų139125.2 Ų125.274%0.74369%0.692SS**  trans1387.4156.3-59.8-17.5000117.2
1576S24.4Very low37.4Very low33 Ų33124 Ų12423%0.23169%0.69CS.*  11.2121.1123.945.50000120.1C1574 S2261 R2262C1574-S1576 PolarHBondContact O-N 3.13Å; S1576-S2261 VanDerWaalsContact C-CB 3.47Å; S1576-S2261 WeakPolarHBondContact CB-OG 3.47Å; S1576-S2261 WeakPolarHBondContact O-CB 3.45Å; S1576-S2261 PolarHBondContact O-OG 2.83Å; S1576-S2261 PolarHBondContact OG-OG 3.36Å; S1576-R2262 VanDerWaalsContact CB-CB 3.44Å; S1576-R2262 VanDerWaalsContact CB-CD 3.45Å; S1576-R2262 VanDerWaalsContact CB-CG 3.48Å
1577V30.5Very low38.1Very low60 Ų60123.6 Ų123.636%0.36468%0.675SS.*  trans-148.1136151171.50000107.8L1579 E2260 R2262V1577-L1579 PolarHBondContact O-N 3.33Å; V1577-L1579 VanDerWaalsContact O-N 3.12Å; V1577-E2260 HydrophobicContact CG1-CB 4.45Å; V1577-E2260 WeakPolarHBondContact CG1-OE1 3.4Å; V1577-E2260 WeakPolarHBondContact CG1-OE2 3.43Å; V1577-E2260 HydrophobicContact CG2-CB 4.38Å; V1577-R2262 PolarHBondContact O-NE 3.47Å; V1577-R2262 PolarHBondContact O-NH2 3.14Å
1578D25.8Very low39.4Very low104 Ų104122 Ų12256%0.55666%0.659SS**  trans-75.4101.3-170.2-76.2-77.6000114.1R2262D1578-R2262 WeakPolarHBondContact OD1-CG 3.08Å; D1578-R2262 VanDerWaalsContact OD2-CA 3.3Å; D1578-R2262 WeakPolarHBondContact OD2-CA 3.4Å; D1578-R2262 VanDerWaalsContact OD2-CG 3.22Å; D1578-R2262 WeakPolarHBondContact OD2-CG 3.46Å; D1578-R2262 PolarHBondContact OD2-N 3.49Å
1579L32.3Very low41.2Very low146 Ų146115.4 Ų115.476%0.76463%0.628SS**  trans-127.1123.1166.3-74.1176.1000109.6V1577 S1581V1577-L1579 PolarHBondContact O-N 3.33Å; V1577-L1579 VanDerWaalsContact O-N 3.12Å; L1579-S1581 PolarHBondContact O-N 3.43Å
1580N26Very low43.4Very low167 Ų167108.7 Ų108.789%0.89360%0.6SS**  trans-92.770-173.6-169.423000111.1
1581S30.4Very low45.9Very low97 Ų97107.5 Ų107.568%0.67858%0.582SS**PPolyproline II helixtrans-76.8135.9175.354.70000111.3L1579L1579-S1581 PolarHBondContact O-N 3.43Å
1582N30.6Very low48.4Very low158 Ų158102.9 Ų102.985%0.84556%0.559SS**PPolyproline II helixtrans-59.6147-176.7-79.8-49.9000113.2
1583A35.9Very low50.9Low90 Ų9097.7 Ų97.774%0.74453%0.53SS*.PPolyproline II helixtrans-57.7140-16400000115.7K1585A1583-K1585 VanDerWaalsContact C-N 3.28Å; A1583-K1585 PolarHBondContact O-N 3.36Å
1584N50.3Low53.2Low123 Ų12389.1 Ų89.166%0.65849%0.493SS*.  trans-64.177175.6-55.319.3000111.8
1585K61.3Low55.5Low178 Ų17890.5 Ų90.577%0.77450%0.497SS*.PPolyproline II helixtrans-85130.7176.9-167.2179.3-178.2-175.40109.7A1583A1583-K1585 VanDerWaalsContact C-N 3.28Å; A1583-K1585 PolarHBondContact O-N 3.36Å
1586P70.3Confident57.4Low70 Ų7086.6 Ų86.646%0.45549%0.49SS..PPolyproline II helixtrans-63.2142.7176.827.4-35.1000110.9L1564 L1565L1564-P1586 HydrophobicContact CD1-CB 4.18Å; L1565-P1586 WeakPolarHBondContact O-CA 3.25Å
1587Q77.1Confident59.5Low73 Ų7389.9 Ų89.934%0.34150%0.501SS..EExtended strand (participates in β ladder)trans-102.6146179.7-68.1-166.2-12.900111.1L1565 F1589 N1603 S1605L1565-Q1587 PolarHBondContact N-O 3.42Å; L1565-Q1587 PolarHBondContact O-N 3.45Å; L1565-Q1587 VanDerWaalsContact O-N 3.11Å; Q1587-F1589 HydrophobicContact CB-CD2 4.45Å; Q1587-F1589 HydrophobicContact CB-CE2 3.65Å; Q1587-F1589 HydrophobicContact CB-CZ 4.28Å; Q1587-N1603 PolarHBondContact OE1-ND2 2.67Å; Q1587-S1605 WeakPolarHBondContact CG-OG 3.45Å
1588M81.6Confident61.3Low44 Ų4489.8 Ų89.822%0.21750%0.501CS..EExtended strand (participates in β ladder)trans-118.1126-178.5-174.6-177.3-177.500109.9Q1562 I1563 L1564 K1604Q1562-M1588 HydrophobicContact CB-CE 3.97Å; Q1562-M1588 HydrophobicContact CG-CE 4.12Å; I1563-M1588 CarbonylContact O-C 3.59Å; I1563-M1588 WeakPolarHBondContact O-CA 3.41Å; L1564-M1588 HydrophobicContact CD1-CB 4.3Å; M1588-K1604 HydrophobicContact CE-CD 4.49Å; M1588-K1604 HydrophobicContact CG-CD 4.47Å; M1588-K1604 WeakPolarHBondContact O-CB 3.29Å; M1588-K1604 PolarHBondContact O-N 2.88Å; M1588-K1604 HydrophobicContact SD-CD 4.02Å
1589F81.5Confident63.6Low39 Ų3985.7 Ų85.717%0.17148%0.482CS..EExtended strand (participates in β ladder)trans-115149.1179.2-60-105.9000109.9Q1562 I1563 L1565 Q1587 I1601 L1602 N1603Q1562-F1589 WeakPolarHBondContact CA-O 3.24Å; I1563-F1589 HydrophobicContact CB-CB 4.34Å; I1563-F1589 PolarHBondContact N-O 3.04Å; I1563-F1589 PolarHBondContact O-N 3.24Å; L1565-F1589 HydrophobicContact CB-CE2 4.42Å; L1565-F1589 HydrophobicContact CD1-CD2 4.11Å; L1565-F1589 HydrophobicContact CD1-CE2 3.75Å; L1565-F1589 HydrophobicContact CD1-CZ 4.41Å; L1565-F1589 HydrophobicContact CG-CE2 4.48Å; Q1587-F1589 HydrophobicContact CB-CD2 4.45Å; Q1587-F1589 HydrophobicContact CB-CE2 3.65Å; Q1587-F1589 HydrophobicContact CB-CZ 4.28Å; F1589-I1601 HydrophobicContact CB-CG2 4.3Å; F1589-I1601 HydrophobicContact CD1-CG2 4.04Å; F1589-L1602 CarbonylContact C-O 3.58Å; F1589-L1602 VanDerWaalsContact CA-O 3.24Å; F1589-L1602 WeakPolarHBondContact CA-O 3.36Å; F1589-N1603 HydrophobicContact CD1-CB 3.72Å; F1589-N1603 HydrophobicContact CE1-CB 3.55Å; F1589-N1603 WeakPolarHBondContact CE1-ND2 3.38Å; F1589-N1603 HydrophobicContact CZ-CB 4.27Å; F1589-N1603 WeakPolarHBondContact CZ-ND2 3.27Å
1590I81.7Confident65.8Low34 Ų3480.7 Ų80.717%0.17446%0.457CS..EExtended strand (participates in β ladder)trans-107.5129159.3-51.5164.7000107L1560 T1561 I1601 L1602 K1604L1560-I1590 HydrophobicContact CD2-CG2 4.49Å; T1561-I1590 CarbonylContact O-C 3.55Å; T1561-I1590 WeakPolarHBondContact O-CA 3.47Å; I1590-I1601 CarbonylContact O-C 3.49Å; I1590-I1601 VanDerWaalsContact O-CA 3.29Å; I1590-I1601 WeakPolarHBondContact O-CA 3.23Å; I1590-L1602 PolarHBondContact N-O 2.8Å; I1590-L1602 PolarHBondContact O-N 2.83Å; I1590-K1604 HydrophobicContact CD1-CD 4.47Å; I1590-K1604 HydrophobicContact CD1-CG 4.36Å; I1590-K1604 HydrophobicContact CG1-CD 4.47Å; I1590-K1604 HydrophobicContact CG1-CG 4.31Å
1591R86.5Confident68.5Low98 Ų9874.2 Ų74.237%0.3742%0.423SS..EExtended strand (participates in β ladder)trans-100.7117.7160.6171.2174.7168.1141.4-3.9108.5T1561 I1563 E1593 V1600 I1601T1561-R1591 PolarHBondContact N-O 2.93Å; T1561-R1591 PolarHBondContact O-N 3.29Å; I1563-R1591 HydrophobicContact CD1-CB 4.43Å; R1591-E1593 IonicContact CZ-OE2 3.23Å; R1591-E1593 IonicContact NE-OE2 2.74Å; R1591-E1593 PolarHBondContact NE-OE2 2.83Å; R1591-E1593 IonicContact NH2-OE2 3.5Å; R1591-E1593 PolarHBondContact NH2-OE2 2.82Å; R1591-V1600 CarbonylContact C-O 3.58Å; R1591-V1600 WeakPolarHBondContact CA-O 3.45Å; R1591-I1601 HydrophobicContact CB-CG1 4.15Å; R1591-I1601 HydrophobicContact CG-CG1 4.17Å
1592T82.2Confident71.1Confident50 Ų5071.7 Ų71.731%0.30740%0.401SS..EExtended strand (participates in β ladder)trans-100.3128.1170.8-580000108.6T1558 R1559 L1560 A1599 V1600T1558-T1592 HydrophobicContact CG2-CG2 4.29Å; R1559-T1592 WeakPolarHBondContact O-CA 3.35Å; L1560-T1592 HydrophobicContact CD2-CG2 3.75Å; L1560-T1592 VanDerWaalsContact CD2-OG1 3.26Å; L1560-T1592 WeakPolarHBondContact CD2-OG1 3.39Å; T1592-A1599 WeakPolarHBondContact O-CA 3.33Å; T1592-V1600 PolarHBondContact N-O 3.1Å; T1592-V1600 PolarHBondContact O-N 2.79Å
1593E81.3Confident73.6Confident37 Ų3764.6 Ų64.617%0.17336%0.363CS..EExtended strand (participates in β ladder)trans-141.1140.2175.862.4-166.6-179.400110.1R1559 R1591 A1599R1559-E1593 HydrophobicContact CB-CG 3.85Å; R1559-E1593 WeakPolarHBondContact CD-OE1 3.43Å; R1559-E1593 HydrophobicContact CG-CG 4.44Å; R1559-E1593 IonicContact CZ-OE1 3.64Å; R1559-E1593 PolarHBondContact N-O 3.5Å; R1559-E1593 IonicContact NE-OE1 3.88Å; R1559-E1593 IonicContact NH1-OE1 2.69Å; R1559-E1593 PolarHBondContact NH1-OE1 2.75Å; R1559-E1593 PolarHBondContact O-N 2.79Å; R1591-E1593 IonicContact CZ-OE2 3.23Å; R1591-E1593 IonicContact NE-OE2 2.74Å; R1591-E1593 PolarHBondContact NE-OE2 2.83Å; R1591-E1593 IonicContact NH2-OE2 3.5Å; R1591-E1593 PolarHBondContact NH2-OE2 2.82Å; E1593-A1599 HydrophobicContact CB-CB 4.3Å
1594C76.7Confident75.5Confident26 Ų2665.9 Ų65.918%0.17635%0.352CS..  trans-143.7145.8174.4-171.70000108.3G1596 F1597C1594-G1596 PolarHBondContact O-N 2.81Å; C1594-F1597 HydrophobicContact CB-CB 4.41Å; C1594-F1597 HydrophobicContact CB-CD2 4.03Å; C1594-F1597 PolarHBondContact O-N 3.34Å; C1594-F1597 VanDerWaalsContact O-N 3.14Å
1595V71.4Confident76.9Confident134 Ų13463.3 Ų63.381%0.81234%0.344SS*.THydrogen-bonded Turntrans-66.4133.5-178.1-177.70000109.3F1597V1595-F1597 VanDerWaalsContact C-N 3.32Å; V1595-F1597 WeakPolarHBondContact O-CD2 3.4Å
1596G68Low77.8Confident58 Ų5857.6 Ų57.660%0.59832%0.323SS*.THydrogen-bonded Turntrans88.6-14.1-173.900000114.7C1594C1594-G1596 PolarHBondContact O-N 2.81Å
1597F68.4Low78.1Confident101 Ų10155.5 Ų55.544%0.44332%0.315SS..SBendtrans-113.6149.9-176.9-63.2-85.6000112.5C1594 V1595C1594-F1597 HydrophobicContact CB-CB 4.41Å; C1594-F1597 HydrophobicContact CB-CD2 4.03Å; C1594-F1597 PolarHBondContact O-N 3.34Å; C1594-F1597 VanDerWaalsContact O-N 3.14Å; V1595-F1597 VanDerWaalsContact C-N 3.32Å; V1595-F1597 WeakPolarHBondContact O-CD2 3.4Å
1598P67.1Low78.2Confident58 Ų5856 Ų5638%0.37732%0.317SS..  trans-64.5140.4172.828.3-34.8000110.7I1611 S1612P1598-I1611 HydrophobicContact CB-CG2 3.89Å; P1598-I1611 HydrophobicContact CG-CG2 4.21Å; P1598-S1612 WeakPolarHBondContact CB-O 3.36Å
1599A74.8Confident78.1Confident18 Ų1858.4 Ų58.415%0.14933%0.327CS..  trans-71140.817600000110.6T1592 E1593 I1611 S1612T1592-A1599 WeakPolarHBondContact O-CA 3.33Å; E1593-A1599 HydrophobicContact CB-CB 4.3Å; A1599-I1611 WeakPolarHBondContact O-CA 2.98Å; A1599-S1612 PolarHBondContact O-N 3.33Å
1600V79.7Confident78Confident41 Ų4159.4 Ų59.425%0.24833%0.332CS..EExtended strand (participates in β ladder)trans-123.5127.3-179-176.60000109.5R1591 T1592 F1609 E1610 I1611R1591-V1600 CarbonylContact C-O 3.58Å; R1591-V1600 WeakPolarHBondContact CA-O 3.45Å; T1592-V1600 PolarHBondContact N-O 3.1Å; T1592-V1600 PolarHBondContact O-N 2.79Å; V1600-F1609 HydrophobicContact CG1-CD1 4.1Å; V1600-E1610 CarbonylContact C-O 3.52Å; V1600-E1610 WeakPolarHBondContact CA-O 3.22Å; V1600-I1611 HydrophobicContact CG1-CG1 4.28Å; V1600-I1611 HydrophobicContact CG2-CD1 4.45Å; V1600-I1611 HydrophobicContact CG2-CG1 4.16Å; V1600-I1611 HydrophobicContact CG2-CG2 4.49Å
1601I82.1Confident77.7Confident32 Ų3259.6 Ų59.616%0.16433%0.333CS..EExtended strand (participates in β ladder)trans-113.8126.4175.7-54.5175.9000108.6F1589 I1590 R1591 F1609 E1610F1589-I1601 HydrophobicContact CB-CG2 4.3Å; F1589-I1601 HydrophobicContact CD1-CG2 4.04Å; I1590-I1601 CarbonylContact O-C 3.49Å; I1590-I1601 VanDerWaalsContact O-CA 3.29Å; I1590-I1601 WeakPolarHBondContact O-CA 3.23Å; R1591-I1601 HydrophobicContact CB-CG1 4.15Å; R1591-I1601 HydrophobicContact CG-CG1 4.17Å; I1601-F1609 CarbonylContact O-C 3.6Å; I1601-F1609 VanDerWaalsContact O-CA 3.24Å; I1601-F1609 WeakPolarHBondContact O-CA 3.24Å; I1601-E1610 HydrophobicContact CB-CB 4.31Å; I1601-E1610 PolarHBondContact N-O 2.8Å; I1601-E1610 PolarHBondContact O-N 2.86Å
1602L83.7Confident76.9Confident44 Ų4456.5 Ų56.523%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-116.7120.5177.8166.958000110.2F1589 I1590 K1604 E1608 F1609F1589-L1602 CarbonylContact C-O 3.58Å; F1589-L1602 VanDerWaalsContact CA-O 3.24Å; F1589-L1602 WeakPolarHBondContact CA-O 3.36Å; I1590-L1602 PolarHBondContact N-O 2.8Å; I1590-L1602 PolarHBondContact O-N 2.83Å; L1602-K1604 PolarHBondContact O-N 3.03Å; L1602-E1608 WeakPolarHBondContact CA-O 3.36Å; L1602-F1609 HydrophobicContact CB-CD1 4.01Å; L1602-F1609 HydrophobicContact CB-CE1 4.08Å; L1602-F1609 HydrophobicContact CD1-CD1 4.05Å; L1602-F1609 HydrophobicContact CD1-CD2 4.11Å; L1602-F1609 HydrophobicContact CD1-CE1 3.81Å; L1602-F1609 HydrophobicContact CD1-CE2 3.87Å; L1602-F1609 HydrophobicContact CD1-CG 4.2Å; L1602-F1609 HydrophobicContact CD1-CZ 3.73Å; L1602-F1609 HydrophobicContact CD2-CE1 3.93Å; L1602-F1609 HydrophobicContact CD2-CZ 4.13Å; L1602-F1609 HydrophobicContact CG-CD1 4.44Å; L1602-F1609 HydrophobicContact CG-CE1 4.14Å; L1602-F1609 HydrophobicContact CG-CZ 4.42Å
1603N83.9Confident76Confident9 Ų955.1 Ų55.15%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-77.9105.4167.9-171.9-19.8000110.1Q1587 F1589 S1605 T1606 G1607 E1608Q1587-N1603 PolarHBondContact OE1-ND2 2.67Å; F1589-N1603 HydrophobicContact CD1-CB 3.72Å; F1589-N1603 HydrophobicContact CE1-CB 3.55Å; F1589-N1603 WeakPolarHBondContact CE1-ND2 3.38Å; F1589-N1603 HydrophobicContact CZ-CB 4.27Å; F1589-N1603 WeakPolarHBondContact CZ-ND2 3.27Å; N1603-S1605 PolarHBondContact O-N 3.27Å; N1603-S1605 VanDerWaalsContact O-N 3.09Å; N1603-S1605 WeakPolarHBondContact OD1-CB 3.34Å; N1603-S1605 PolarHBondContact OD1-N 2.78Å; N1603-S1605 PolarHBondContact OD1-OG 3.46Å; N1603-T1606 VanDerWaalsContact CB-OG1 3.32Å; N1603-T1606 WeakPolarHBondContact CB-OG1 3.47Å; N1603-T1606 PolarHBondContact ND2-OG1 3.16Å; N1603-T1606 PolarHBondContact O-N 2.7Å; N1603-G1607 WeakPolarHBondContact O-CA 3.49Å; N1603-G1607 PolarHBondContact O-N 3.22Å; N1603-E1608 PolarHBondContact N-O 3.36Å
1604K76.7Confident74.7Confident117 Ų11759.9 Ų59.951%0.50934%0.337SS..THydrogen-bonded Turntrans-61.9-17.8178.3-74.2-162.8175.3-1710113.9M1588 I1590 L1602M1588-K1604 HydrophobicContact CE-CD 4.49Å; M1588-K1604 HydrophobicContact CG-CD 4.47Å; M1588-K1604 WeakPolarHBondContact O-CB 3.29Å; M1588-K1604 PolarHBondContact O-N 2.88Å; M1588-K1604 HydrophobicContact SD-CD 4.02Å; I1590-K1604 HydrophobicContact CD1-CD 4.47Å; I1590-K1604 HydrophobicContact CD1-CG 4.36Å; I1590-K1604 HydrophobicContact CG1-CD 4.47Å; I1590-K1604 HydrophobicContact CG1-CG 4.31Å; L1602-K1604 PolarHBondContact O-N 3.03Å
1605S79.3Confident73.4Confident69 Ų6960.6 Ų60.648%0.48335%0.349SS..THydrogen-bonded Turntrans-91.7-22.7-17672.80000114.2Q1587 N1603Q1587-S1605 WeakPolarHBondContact CG-OG 3.45Å; N1603-S1605 PolarHBondContact O-N 3.27Å; N1603-S1605 VanDerWaalsContact O-N 3.09Å; N1603-S1605 WeakPolarHBondContact OD1-CB 3.34Å; N1603-S1605 PolarHBondContact OD1-N 2.78Å; N1603-S1605 PolarHBondContact OD1-OG 3.46Å
1606T79.2Confident72.2Confident57 Ų5765.2 Ų65.235%0.3536%0.358SS..THydrogen-bonded Turntrans-117.7-22.6179.559.80000113.5N1603 E1608 P1627N1603-T1606 VanDerWaalsContact CB-OG1 3.32Å; N1603-T1606 WeakPolarHBondContact CB-OG1 3.47Å; N1603-T1606 PolarHBondContact ND2-OG1 3.16Å; N1603-T1606 PolarHBondContact O-N 2.7Å; T1606-E1608 VanDerWaalsContact C-N 3.33Å; T1606-E1608 WeakPolarHBondContact CB-OE2 3.49Å; T1606-E1608 WeakPolarHBondContact CG2-OE2 3.22Å; T1606-E1608 VanDerWaalsContact OG1-CD 3.27Å; T1606-E1608 WeakPolarHBondContact OG1-CG 3.44Å; T1606-E1608 PolarHBondContact OG1-N 2.83Å; T1606-E1608 PolarHBondContact OG1-OE2 3.44Å; T1606-P1627 WeakPolarHBondContact O-CG 3.38Å
1607G76.3Confident71.2Confident26 Ų2665.6 Ų65.627%0.26835%0.352SS..  trans82.46.3-172.600000114.2N1603 F1609 P1627N1603-G1607 WeakPolarHBondContact O-CA 3.49Å; N1603-G1607 PolarHBondContact O-N 3.22Å; G1607-F1609 VanDerWaalsContact O-CD2 3.31Å; G1607-F1609 WeakPolarHBondContact O-CD2 3.45Å; G1607-F1609 WeakPolarHBondContact O-CE2 3.34Å; G1607-P1627 WeakPolarHBondContact O-CG 3.05Å
1608E79.8Confident70.5Confident85 Ų8570 Ų7040%0.39737%0.374SS..  trans-75.1139.9179.3-66.5157.4150.400111.2L1602 N1603 T1606 F1625 T1626L1602-E1608 WeakPolarHBondContact CA-O 3.36Å; N1603-E1608 PolarHBondContact N-O 3.36Å; T1606-E1608 VanDerWaalsContact C-N 3.33Å; T1606-E1608 WeakPolarHBondContact CB-OE2 3.49Å; T1606-E1608 WeakPolarHBondContact CG2-OE2 3.22Å; T1606-E1608 VanDerWaalsContact OG1-CD 3.27Å; T1606-E1608 WeakPolarHBondContact OG1-CG 3.44Å; T1606-E1608 PolarHBondContact OG1-N 2.83Å; T1606-E1608 PolarHBondContact OG1-OE2 3.44Å; E1608-F1625 WeakPolarHBondContact CA-O 3.45Å; E1608-T1626 HydrophobicContact CG-CG2 4.47Å
1609F78.8Confident69.7Low94 Ų9474.1 Ų74.141%0.41239%0.386SS..EExtended strand (participates in β ladder)trans-114.5146.3175.1-60.7-106.4000110.9V1600 I1601 L1602 G1607 H1624 F1625V1600-F1609 HydrophobicContact CG1-CD1 4.1Å; I1601-F1609 CarbonylContact O-C 3.6Å; I1601-F1609 VanDerWaalsContact O-CA 3.24Å; I1601-F1609 WeakPolarHBondContact O-CA 3.24Å; L1602-F1609 HydrophobicContact CB-CD1 4.01Å; L1602-F1609 HydrophobicContact CB-CE1 4.08Å; L1602-F1609 HydrophobicContact CD1-CD1 4.05Å; L1602-F1609 HydrophobicContact CD1-CD2 4.11Å; L1602-F1609 HydrophobicContact CD1-CE1 3.81Å; L1602-F1609 HydrophobicContact CD1-CE2 3.87Å; L1602-F1609 HydrophobicContact CD1-CG 4.2Å; L1602-F1609 HydrophobicContact CD1-CZ 3.73Å; L1602-F1609 HydrophobicContact CD2-CE1 3.93Å; L1602-F1609 HydrophobicContact CD2-CZ 4.13Å; L1602-F1609 HydrophobicContact CG-CD1 4.44Å; L1602-F1609 HydrophobicContact CG-CE1 4.14Å; L1602-F1609 HydrophobicContact CG-CZ 4.42Å; G1607-F1609 VanDerWaalsContact O-CD2 3.31Å; G1607-F1609 WeakPolarHBondContact O-CD2 3.45Å; G1607-F1609 WeakPolarHBondContact O-CE2 3.34Å; F1609-H1624 CarbonylContact O-C 3.42Å; F1609-H1624 WeakPolarHBondContact O-CA 3.45Å; F1609-F1625 HydrophobicContact CB-CB 4.22Å; F1609-F1625 HydrophobicContact CB-CD2 4.35Å; F1609-F1625 PolarHBondContact N-O 3.02Å; F1609-F1625 PolarHBondContact O-N 2.93Å
1610E80.1Confident68.9Low59 Ų5974.9 Ų74.928%0.27639%0.39SS..EExtended strand (participates in β ladder)trans-123.9135.6167.3178.2-168162.700108V1600 I1601 F1623V1600-E1610 CarbonylContact C-O 3.52Å; V1600-E1610 WeakPolarHBondContact CA-O 3.22Å; I1601-E1610 HydrophobicContact CB-CB 4.31Å; I1601-E1610 PolarHBondContact N-O 2.8Å; I1601-E1610 PolarHBondContact O-N 2.86Å; E1610-F1623 CarbonylContact C-O 3.56Å; E1610-F1623 WeakPolarHBondContact CA-O 3.46Å
1611I76.2Confident68.2Low39 Ų3973.4 Ų73.420%0.238%0.382CS..EExtended strand (participates in β ladder)trans-123123.3175.9-55.7-173.2000108.8P1598 A1599 V1600 L1613 T1622 F1623 F1625P1598-I1611 HydrophobicContact CB-CG2 3.89Å; P1598-I1611 HydrophobicContact CG-CG2 4.21Å; A1599-I1611 WeakPolarHBondContact O-CA 2.98Å; V1600-I1611 HydrophobicContact CG1-CG1 4.28Å; V1600-I1611 HydrophobicContact CG2-CD1 4.45Å; V1600-I1611 HydrophobicContact CG2-CG1 4.16Å; V1600-I1611 HydrophobicContact CG2-CG2 4.49Å; I1611-L1613 HydrophobicContact CG2-CD2 4.45Å; I1611-L1613 PolarHBondContact O-N 2.82Å; I1611-T1622 WeakPolarHBondContact O-CA 3.43Å; I1611-F1623 PolarHBondContact N-O 2.95Å; I1611-F1623 PolarHBondContact O-N 2.7Å; I1611-F1625 HydrophobicContact CB-CE2 4.28Å; I1611-F1625 HydrophobicContact CD1-CD2 4.31Å; I1611-F1625 HydrophobicContact CD1-CE2 3.5Å; I1611-F1625 VanDerWaalsContact CD1-CE2 3.5Å; I1611-F1625 HydrophobicContact CD1-CZ 3.98Å; I1611-F1625 HydrophobicContact CG1-CD2 4.28Å; I1611-F1625 HydrophobicContact CG1-CE2 3.71Å
1612S69Low67.7Low32 Ų3273 Ų7322%0.22438%0.38CS..EExtended strand (participates in β ladder)trans-80.4101.6173.1-49.70000109.6P1598 A1599P1598-S1612 WeakPolarHBondContact CB-O 3.36Å; A1599-S1612 PolarHBondContact O-N 3.33Å
1613L63Low67.3Low21 Ų2171.2 Ų71.211%0.1137%0.371CS..  trans-71.7165.7176.4-65.6176.5000111.7L1281 I1611 G1615 S1620 S1621 F1623 L1633L1281-L1613 HydrophobicContact CD1-CD2 3.91Å; L1281-L1613 HydrophobicContact CD2-CD1 4.32Å; L1281-L1613 HydrophobicContact CD2-CD2 4.23Å; I1611-L1613 HydrophobicContact CG2-CD2 4.45Å; I1611-L1613 PolarHBondContact O-N 2.82Å; L1613-G1615 PolarHBondContact O-N 3.29Å; L1613-S1620 WeakPolarHBondContact O-CB 3.25Å; L1613-S1620 PolarHBondContact O-OG 3.29Å; L1613-S1621 WeakPolarHBondContact CA-O 3.42Å; L1613-S1621 WeakPolarHBondContact CB-O 3.3Å; L1613-S1621 PolarHBondContact N-O 2.89Å; L1613-F1623 HydrophobicContact CD1-CB 3.98Å; L1613-F1623 HydrophobicContact CD1-CD2 4.03Å; L1613-F1623 HydrophobicContact CD1-CG 4.49Å; L1613-F1623 HydrophobicContact CG-CB 4.17Å; L1613-L1633 HydrophobicContact CD1-CD1 3.83Å
1614F53.9Low67.1Low137 Ų13773.4 Ų73.460%0.60138%0.381SS*.SBendtrans-41.2114.9-169.9-52.3-75.1000114.5
1615G50.2Low67.1Low42 Ų4270.2 Ų70.243%0.43337%0.367SS..  trans-156124.3170.400000110.6L1613 S1617L1613-G1615 PolarHBondContact O-N 3.29Å; G1615-S1617 PolarHBondContact O-N 3.3Å
1616K46.2Very low67Low230 Ų23069 Ų69100%136%0.357SS*.SBendtrans-81.916.7172.7-66.6-173.7176.9-178.80112.6
1617S46.6Very low66.3Low66 Ų6670.6 Ų70.646%0.46237%0.368SS..SBendtrans-141.8169.1-172.298.30000110.4G1615 F1619G1615-S1617 PolarHBondContact O-N 3.3Å; S1617-F1619 CarbonylContact O-C 3.32Å; S1617-F1619 PolarHBondContact O-N 3.3Å; S1617-F1619 WeakPolarHBondContact OG-CA 3.34Å; S1617-F1619 PolarHBondContact OG-N 2.78Å; S1617-F1619 PolarHBondContact OG-O 3.45Å
1618Q52.9Low66.1Low195 Ų19577.3 Ų77.391%0.91139%0.39SS*.SBendtrans-63.8-16.1173.7-165.1170.28.400112.9
1619F50.9Low65.6Low144 Ų14474.1 Ų74.163%0.63238%0.38SS*.  trans-93.8111.4164.9-42.3-76.7000108.2S1617 F1636S1617-F1619 CarbonylContact O-C 3.32Å; S1617-F1619 PolarHBondContact O-N 3.3Å; S1617-F1619 WeakPolarHBondContact OG-CA 3.34Å; S1617-F1619 PolarHBondContact OG-N 2.78Å; S1617-F1619 PolarHBondContact OG-O 3.45Å; F1619-F1636 HydrophobicContact CB-CB 4.25Å; F1619-F1636 HydrophobicContact CB-CD2 4.29Å
1620S58Low65.3Low33 Ų3373 Ų7323%0.23138%0.376CS..  trans-127.8153.2167.3106.50000107.8L1613L1613-S1620 WeakPolarHBondContact O-CB 3.25Å; L1613-S1620 PolarHBondContact O-OG 3.29Å
1621S66.2Low65.1Low11 Ų1171.1 Ų71.18%0.07737%0.367CS..  trans-71.8142.1170-59.40000108.6L1613 Q1634 H1635 F1636L1613-S1621 WeakPolarHBondContact CA-O 3.42Å; L1613-S1621 WeakPolarHBondContact CB-O 3.3Å; L1613-S1621 PolarHBondContact N-O 2.89Å; S1621-Q1634 CarbonylContact C-O 3.57Å; S1621-Q1634 VanDerWaalsContact CA-O 3.27Å; S1621-Q1634 WeakPolarHBondContact CA-O 3.28Å; S1621-Q1634 WeakPolarHBondContact CB-O 3.5Å; S1621-H1635 PolarHBondContact OG-CD2 2.84Å; S1621-F1636 PolarHBondContact OG-N 3.43Å; S1621-F1636 VanDerWaalsContact OG-N 3.14Å
1622T71.3Confident65.3Low22 Ų2271.5 Ų71.514%0.13537%0.369CS..EExtended strand (participates in β ladder)trans-116.5145.1178.855.40000110.9I1611 H1624 Q1634I1611-T1622 WeakPolarHBondContact O-CA 3.43Å; T1622-H1624 PolarHBondContact OG1-CE1 2.84Å; T1622-H1624 VanDerWaalsContact OG1-CE1 3.25Å; T1622-Q1634 PolarHBondContact N-O 3.08Å; T1622-Q1634 PolarHBondContact O-N 3.2Å
1623F75.5Confident65.6Low7 Ų770.6 Ų70.63%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-124.8115.5-179.1-156.8-63.7000109.7L1279 E1610 I1611 L1613 F1625 H1631 I1632 L1633L1279-F1623 HydrophobicContact CD1-CE1 3.8Å; L1279-F1623 HydrophobicContact CD1-CE2 4.06Å; L1279-F1623 HydrophobicContact CD1-CZ 3.35Å; E1610-F1623 CarbonylContact C-O 3.56Å; E1610-F1623 WeakPolarHBondContact CA-O 3.46Å; I1611-F1623 PolarHBondContact N-O 2.95Å; I1611-F1623 PolarHBondContact O-N 2.7Å; L1613-F1623 HydrophobicContact CD1-CB 3.98Å; L1613-F1623 HydrophobicContact CD1-CD2 4.03Å; L1613-F1623 HydrophobicContact CD1-CG 4.49Å; L1613-F1623 HydrophobicContact CG-CB 4.17Å; F1623-F1625 HydrophobicContact CB-CE2 4.16Å; F1623-F1625 HydrophobicContact CD1-CD1 4.44Å; F1623-F1625 AromaticContact CD1-CD2 3.84Å; F1623-F1625 HydrophobicContact CD1-CD2 3.84Å; F1623-F1625 AromaticContact CD1-CE1 3.95Å; F1623-F1625 HydrophobicContact CD1-CE1 3.95Å; F1623-F1625 AromaticContact CD1-CE2 3.27Å; F1623-F1625 HydrophobicContact CD1-CE2 3.27Å; F1623-F1625 HydrophobicContact CD1-CG 4.38Å; F1623-F1625 AromaticContact CD1-CZ 3.32Å; F1623-F1625 HydrophobicContact CD1-CZ 3.32Å; F1623-F1625 HydrophobicContact CE1-CD1 4.26Å; F1623-F1625 HydrophobicContact CE1-CD2 4.44Å; F1623-F1625 AromaticContact CE1-CE1 3.77Å; F1623-F1625 HydrophobicContact CE1-CE1 3.77Å; F1623-F1625 AromaticContact CE1-CE2 3.97Å; F1623-F1625 HydrophobicContact CE1-CE2 3.97Å; F1623-F1625 AromaticContact CE1-CZ 3.61Å; F1623-F1625 HydrophobicContact CE1-CZ 3.61Å; F1623-F1625 HydrophobicContact CG-CE2 4.03Å; F1623-F1625 HydrophobicContact CG-CZ 4.12Å; F1623-H1631 HydrophobicContact CE1-CB 3.67Å; F1623-H1631 AromaticContact CE1-ND1 3.8Å; F1623-H1631 HydrophobicContact CZ-CB 3.9Å; F1623-I1632 CarbonylContact C-O 3.47Å; F1623-I1632 WeakPolarHBondContact CA-O 3.19Å; F1623-L1633 HydrophobicContact CD2-CB 3.8Å; F1623-L1633 HydrophobicContact CD2-CD1 4.06Å; F1623-L1633 HydrophobicContact CD2-CG 4.44Å; F1623-L1633 HydrophobicContact CE2-CB 3.85Å
1624H78.2Confident66.2Low56 Ų5673.8 Ų73.826%0.25938%0.376SS..EExtended strand (participates in β ladder)trans-103139.6-177.2-47.281.5000110.6F1609 T1622 H1631 I1632F1609-H1624 CarbonylContact O-C 3.42Å; F1609-H1624 WeakPolarHBondContact O-CA 3.45Å; T1622-H1624 PolarHBondContact OG1-CE1 2.84Å; T1622-H1624 VanDerWaalsContact OG1-CE1 3.25Å; H1624-H1631 WeakPolarHBondContact O-CA 3.38Å; H1624-I1632 HydrophobicContact CB-CB 4.27Å; H1624-I1632 PolarHBondContact N-O 3.24Å; H1624-I1632 PolarHBondContact ND1-O 2.84Å; H1624-I1632 PolarHBondContact O-N 3.23Å
1625F77.8Confident67Low50 Ų5068 Ų6822%0.21935%0.351CS..EExtended strand (participates in β ladder)trans-126.3126.7-179.1-57.2-107.5000109.2L1279 E1608 F1609 I1611 F1623 H1631L1279-F1625 HydrophobicContact CD1-CE1 4.14Å; E1608-F1625 WeakPolarHBondContact CA-O 3.45Å; F1609-F1625 HydrophobicContact CB-CB 4.22Å; F1609-F1625 HydrophobicContact CB-CD2 4.35Å; F1609-F1625 PolarHBondContact N-O 3.02Å; F1609-F1625 PolarHBondContact O-N 2.93Å; I1611-F1625 HydrophobicContact CB-CE2 4.28Å; I1611-F1625 HydrophobicContact CD1-CD2 4.31Å; I1611-F1625 HydrophobicContact CD1-CE2 3.5Å; I1611-F1625 VanDerWaalsContact CD1-CE2 3.5Å; I1611-F1625 HydrophobicContact CD1-CZ 3.98Å; I1611-F1625 HydrophobicContact CG1-CD2 4.28Å; I1611-F1625 HydrophobicContact CG1-CE2 3.71Å; F1623-F1625 HydrophobicContact CB-CE2 4.16Å; F1623-F1625 HydrophobicContact CD1-CD1 4.44Å; F1623-F1625 AromaticContact CD1-CD2 3.84Å; F1623-F1625 HydrophobicContact CD1-CD2 3.84Å; F1623-F1625 AromaticContact CD1-CE1 3.95Å; F1623-F1625 HydrophobicContact CD1-CE1 3.95Å; F1623-F1625 AromaticContact CD1-CE2 3.27Å; F1623-F1625 HydrophobicContact CD1-CE2 3.27Å; F1623-F1625 HydrophobicContact CD1-CG 4.38Å; F1623-F1625 AromaticContact CD1-CZ 3.32Å; F1623-F1625 HydrophobicContact CD1-CZ 3.32Å; F1623-F1625 HydrophobicContact CE1-CD1 4.26Å; F1623-F1625 HydrophobicContact CE1-CD2 4.44Å; F1623-F1625 AromaticContact CE1-CE1 3.77Å; F1623-F1625 HydrophobicContact CE1-CE1 3.77Å; F1623-F1625 AromaticContact CE1-CE2 3.97Å; F1623-F1625 HydrophobicContact CE1-CE2 3.97Å; F1623-F1625 AromaticContact CE1-CZ 3.61Å; F1623-F1625 HydrophobicContact CE1-CZ 3.61Å; F1623-F1625 HydrophobicContact CG-CE2 4.03Å; F1623-F1625 HydrophobicContact CG-CZ 4.12Å; F1625-H1631 AromaticContact CD1-CE1 3.52Å; F1625-H1631 AromaticContact CD1-ND1 3.22Å; F1625-H1631 WeakPolarHBondContact CD1-ND1 3.47Å; F1625-H1631 AromaticContact CE1-CE1 3.93Å; F1625-H1631 AromaticContact CE1-ND1 3.54Å
1626T76.3Confident67.7Low44 Ų4470.7 Ų70.727%0.2735%0.351SS..  trans-97.2151.4168.963.30000110.5E1608 K1628 G1629 H1630E1608-T1626 HydrophobicContact CG-CG2 4.47Å; T1626-K1628 PolarHBondContact O-N 3.43Å; T1626-G1629 PolarHBondContact O-N 2.78Å; T1626-G1629 VanDerWaalsContact O-N 3.12Å; T1626-H1630 HydrophobicContact CG2-CB 4.45Å; T1626-H1630 PolarHBondContact N-O 2.78Å; T1626-H1630 WeakPolarHBondContact OG1-CB 3.24Å; T1626-H1630 PolarHBondContact OG1-N 3.21Å; T1626-H1630 VanDerWaalsContact OG1-N 3.09Å; T1626-H1630 PolarHBondContact OG1-O 3.41Å; T1626-H1630 VanDerWaalsContact OG1-O 3.08Å
1627P65.3Low68.6Low90 Ų9063.8 Ų63.858%0.58433%0.325SS*.THydrogen-bonded Turntrans-59.8-3.3169.8-25.935.4000115.3T1606 G1607T1606-P1627 WeakPolarHBondContact O-CG 3.38Å; G1607-P1627 WeakPolarHBondContact O-CG 3.05Å
1628K71.9Confident69.4Low166 Ų16661 Ų6172%0.72231%0.307SS*.THydrogen-bonded Turntrans-102.914.2179-61.4178.6-179.2173.90112.7T1626 H1630T1626-K1628 PolarHBondContact O-N 3.43Å; K1628-H1630 PolarHBondContact O-N 3.47Å; K1628-H1630 PolarHBondContact O-ND1 2.85Å
1629G68.9Low70.3Confident19 Ų1952 Ų5220%0.19627%0.266CS..SBendtrans65.222.2179.300000114.7T1626 H1631 P1645T1626-G1629 PolarHBondContact O-N 2.78Å; T1626-G1629 VanDerWaalsContact O-N 3.12Å; G1629-H1631 PolarHBondContact O-CD2 2.99Å; G1629-P1645 WeakPolarHBondContact O-CD 3.47Å
1630H73.8Confident71.7Confident71 Ų7148.9 Ų48.933%0.32925%0.253SS..  trans-91.7133.2165.3-58.248.2000108.5T1626 K1628 P1645T1626-H1630 HydrophobicContact CG2-CB 4.45Å; T1626-H1630 PolarHBondContact N-O 2.78Å; T1626-H1630 WeakPolarHBondContact OG1-CB 3.24Å; T1626-H1630 PolarHBondContact OG1-N 3.21Å; T1626-H1630 VanDerWaalsContact OG1-N 3.09Å; T1626-H1630 PolarHBondContact OG1-O 3.41Å; T1626-H1630 VanDerWaalsContact OG1-O 3.08Å; K1628-H1630 PolarHBondContact O-N 3.47Å; K1628-H1630 PolarHBondContact O-ND1 2.85Å; H1630-P1645 VanDerWaalsContact CE1-CD 3.45Å; H1630-P1645 WeakPolarHBondContact CE1-CD 3.4Å; H1630-P1645 VanDerWaalsContact CE1-CG 3.49Å; H1630-P1645 WeakPolarHBondContact CE1-CG 3.4Å; H1630-P1645 VanDerWaalsContact ND1-CD 3.35Å; H1630-P1645 WeakPolarHBondContact ND1-CD 3.46Å
1631H75.9Confident72.8Confident19 Ų1947.9 Ų47.99%0.08825%0.245CC..EExtended strand (participates in β ladder)trans-128.3124.6-170.9-65.4-93.3000110F1623 H1624 F1625 G1629 I1643F1623-H1631 HydrophobicContact CE1-CB 3.67Å; F1623-H1631 AromaticContact CE1-ND1 3.8Å; F1623-H1631 HydrophobicContact CZ-CB 3.9Å; H1624-H1631 WeakPolarHBondContact O-CA 3.38Å; F1625-H1631 AromaticContact CD1-CE1 3.52Å; F1625-H1631 AromaticContact CD1-ND1 3.22Å; F1625-H1631 WeakPolarHBondContact CD1-ND1 3.47Å; F1625-H1631 AromaticContact CE1-CE1 3.93Å; F1625-H1631 AromaticContact CE1-ND1 3.54Å; G1629-H1631 PolarHBondContact O-CD2 2.99Å; H1631-I1643 HydrophobicContact CB-CB 4.18Å; H1631-I1643 PolarHBondContact N-O 3.29Å; H1631-I1643 PolarHBondContact O-N 2.96Å
1632I79.7Confident73.6Confident46 Ų4649.1 Ų49.124%0.23625%0.251CS..EExtended strand (participates in β ladder)trans-122.2110.5-177.4-64.1169.1000110.1F1623 H1624 Q1640 L1641 N1642F1623-I1632 CarbonylContact C-O 3.47Å; F1623-I1632 WeakPolarHBondContact CA-O 3.19Å; H1624-I1632 HydrophobicContact CB-CB 4.27Å; H1624-I1632 PolarHBondContact N-O 3.24Å; H1624-I1632 PolarHBondContact ND1-O 2.84Å; H1624-I1632 PolarHBondContact O-N 3.23Å; I1632-Q1640 HydrophobicContact CG2-CG 3.73Å; I1632-Q1640 VanDerWaalsContact CG2-NE2 3.26Å; I1632-L1641 WeakPolarHBondContact CA-O 3.49Å; I1632-N1642 HydrophobicContact CG1-CB 4.39Å; I1632-N1642 WeakPolarHBondContact CG1-OD1 3.34Å
1633L75.9Confident74Confident14 Ų1448.2 Ų48.27%0.07325%0.245CC..EExtended strand (participates in β ladder)trans-88.9116.9165.6168.963000109L1217 L1613 F1623 L1641L1217-L1633 HydrophobicContact CD2-CD2 3.64Å; L1613-L1633 HydrophobicContact CD1-CD1 3.83Å; F1623-L1633 HydrophobicContact CD2-CB 3.8Å; F1623-L1633 HydrophobicContact CD2-CD1 4.06Å; F1623-L1633 HydrophobicContact CD2-CG 4.44Å; F1623-L1633 HydrophobicContact CE2-CB 3.85Å; L1633-L1641 HydrophobicContact CB-CB 4.25Å; L1633-L1641 HydrophobicContact CD2-CD2 4.39Å; L1633-L1641 PolarHBondContact N-O 2.9Å; L1633-L1641 PolarHBondContact O-N 2.8Å
1634Q74.9Confident74.1Confident88 Ų8849 Ų4941%0.41125%0.25SC..EExtended strand (participates in β ladder)trans-105.3123.9170.8-177.5174.4-400108.6S1621 T1622S1621-Q1634 CarbonylContact C-O 3.57Å; S1621-Q1634 VanDerWaalsContact CA-O 3.27Å; S1621-Q1634 WeakPolarHBondContact CA-O 3.28Å; S1621-Q1634 WeakPolarHBondContact CB-O 3.5Å; T1622-Q1634 PolarHBondContact N-O 3.08Å; T1622-Q1634 PolarHBondContact O-N 3.2Å
1635H71.3Confident73.7Confident15 Ų1548 Ų487%0.06925%0.248CC..  trans-93.5144.1-172.3-168.9-110.3000112.2H1131 S1621 N1637 G1638 G1639H1131-H1635 AromaticContact CE1-CD2 3.75Å; H1131-H1635 AromaticContact CE1-CE1 3.5Å; H1131-H1635 PolarHBondContact CE1-CE1 2.96Å; H1131-H1635 VanDerWaalsContact CE1-CE1 3.5Å; H1131-H1635 AromaticContact CE1-CG 3.62Å; H1131-H1635 AromaticContact CE1-ND1 3.45Å; H1131-H1635 PolarHBondContact CE1-ND1 2.93Å; H1131-H1635 AromaticContact CE1-NE2 3.69Å; H1131-H1635 AromaticContact NE2-CE1 3.65Å; H1131-H1635 AromaticContact NE2-CG 3.87Å; H1131-H1635 AromaticContact NE2-ND1 3.36Å; H1131-H1635 PolarHBondContact NE2-ND1 2.6Å; S1621-H1635 PolarHBondContact OG-CD2 2.84Å; H1635-N1637 VanDerWaalsContact C-N 3.3Å; H1635-N1637 PolarHBondContact CE1-OD1 3.15Å; H1635-N1637 VanDerWaalsContact ND1-CG 3.28Å; H1635-N1637 PolarHBondContact ND1-OD1 2.77Å; H1635-N1637 PolarHBondContact O-N 2.77Å; H1635-G1638 WeakPolarHBondContact O-CA 3.2Å; H1635-G1638 PolarHBondContact O-N 3.46Å; H1635-G1639 PolarHBondContact N-O 2.88Å; H1635-G1639 VanDerWaalsContact N-O 3.09Å
1636F64Low73.3Confident99 Ų9950.2 Ų50.243%0.43426%0.262SS..THydrogen-bonded Turntrans-64.2-28.7-170.380.9-89.1000114.7F1619 S1621F1619-F1636 HydrophobicContact CB-CB 4.25Å; F1619-F1636 HydrophobicContact CB-CD2 4.29Å; S1621-F1636 PolarHBondContact OG-N 3.43Å; S1621-F1636 VanDerWaalsContact OG-N 3.14Å
1637N64.5Low72.9Confident84 Ų8449.9 Ų49.945%0.44926%0.259SS..THydrogen-bonded Turntrans-84.5-0.1175.875.8-0.9000112.9H1635H1635-N1637 VanDerWaalsContact C-N 3.3Å; H1635-N1637 PolarHBondContact CE1-OD1 3.15Å; H1635-N1637 VanDerWaalsContact ND1-CG 3.28Å; H1635-N1637 PolarHBondContact ND1-OD1 2.77Å; H1635-N1637 PolarHBondContact O-N 2.77Å
1638G64.8Low73.4Confident9 Ų945.8 Ų45.89%0.09323%0.232CC..SBendtrans107.1164.3-175.500000113.5H1635H1635-G1638 WeakPolarHBondContact O-CA 3.2Å; H1635-G1638 PolarHBondContact O-N 3.46Å
1639G71.8Confident73.7Confident4 Ų438 Ų384%0.04120%0.199CC..  trans89157.2-17800000113.5H1635 T1652 Q1654H1635-G1639 PolarHBondContact N-O 2.88Å; H1635-G1639 VanDerWaalsContact N-O 3.09Å; G1639-T1652 CarbonylContact C-O 3.58Å; G1639-T1652 WeakPolarHBondContact CA-O 3.13Å; G1639-Q1654 VanDerWaalsContact N-CB 3.3Å; G1639-Q1654 VanDerWaalsContact N-OE1 3.13Å
1640Q79.9Confident74.4Confident79 Ų7939.7 Ų39.737%0.36920%0.2SC..EExtended strand (participates in β ladder)trans-137.5132.5-168.9-173.9-176.3-3.200110.2I1632 Y1651 T1652I1632-Q1640 HydrophobicContact CG2-CG 3.73Å; I1632-Q1640 VanDerWaalsContact CG2-NE2 3.26Å; Q1640-Y1651 WeakPolarHBondContact O-CD2 3.33Å; Q1640-T1652 PolarHBondContact N-O 2.81Å; Q1640-T1652 PolarHBondContact O-N 2.85Å; Q1640-T1652 PolarHBondContact O-OG1 2.82Å
1641L80.8Confident75Confident12 Ų1236.5 Ų36.56%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-110.4118169.1-17474.3000108.3F1133 L1217 I1632 L1633 I1643 V1649 Y1650 Y1651F1133-L1641 HydrophobicContact CD1-CD1 4.18Å; F1133-L1641 HydrophobicContact CE1-CD1 3.64Å; F1133-L1641 HydrophobicContact CE1-CD2 4.18Å; F1133-L1641 HydrophobicContact CE1-CG 4.45Å; F1133-L1641 HydrophobicContact CZ-CD1 4.46Å; L1217-L1641 HydrophobicContact CD2-CD2 4.03Å; I1632-L1641 WeakPolarHBondContact CA-O 3.49Å; L1633-L1641 HydrophobicContact CB-CB 4.25Å; L1633-L1641 HydrophobicContact CD2-CD2 4.39Å; L1633-L1641 PolarHBondContact N-O 2.9Å; L1633-L1641 PolarHBondContact O-N 2.8Å; L1641-I1643 HydrophobicContact CD2-CD1 4.31Å; L1641-I1643 HydrophobicContact CD2-CG1 4.39Å; L1641-I1643 HydrophobicContact CG-CG1 4.42Å; L1641-V1649 HydrophobicContact CD1-CG1 3.45Å; L1641-V1649 VanDerWaalsContact CD1-CG1 3.45Å; L1641-V1649 HydrophobicContact CD2-CG1 4.47Å; L1641-V1649 HydrophobicContact CG-CG1 4.02Å; L1641-Y1650 CarbonylContact C-O 3.36Å; L1641-Y1650 WeakPolarHBondContact CA-O 3.17Å; L1641-Y1651 HydrophobicContact CB-CD2 4.39Å; L1641-Y1651 HydrophobicContact CD1-CD2 4.21Å
1642N82.2Confident75.3Confident38 Ų3837.3 Ų37.320%0.20319%0.191CC..EExtended strand (participates in β ladder)trans-107.9121.3174.717948.7000109.7I1632 N1644 V1649 Y1650I1632-N1642 HydrophobicContact CG1-CB 4.39Å; I1632-N1642 WeakPolarHBondContact CG1-OD1 3.34Å; N1642-N1644 PolarHBondContact ND2-OD1 3.19Å; N1642-V1649 CarbonylContact O-C 3.57Å; N1642-V1649 WeakPolarHBondContact O-CA 3.41Å; N1642-Y1650 PolarHBondContact N-O 2.82Å; N1642-Y1650 PolarHBondContact O-N 2.81Å
1643I79.8Confident75.2Confident2 Ų235.8 Ų35.81%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-107.9115.5176.8-58.3162.4000107V1227 I1277 L1279 H1631 L1641 V1649V1227-I1643 HydrophobicContact CG1-CD1 4.43Å; V1227-I1643 HydrophobicContact CG1-CG2 4.4Å; V1227-I1643 HydrophobicContact CG2-CD1 3.9Å; I1277-I1643 HydrophobicContact CD1-CG2 3.96Å; L1279-I1643 HydrophobicContact CD2-CD1 4.48Å; H1631-I1643 HydrophobicContact CB-CB 4.18Å; H1631-I1643 PolarHBondContact N-O 3.29Å; H1631-I1643 PolarHBondContact O-N 2.96Å; L1641-I1643 HydrophobicContact CD2-CD1 4.31Å; L1641-I1643 HydrophobicContact CD2-CG1 4.39Å; L1641-I1643 HydrophobicContact CG-CG1 4.42Å; I1643-V1649 HydrophobicContact CB-CG2 4.39Å; I1643-V1649 HydrophobicContact CG1-CG1 4.07Å; I1643-V1649 HydrophobicContact CG1-CG2 4.05Å; I1643-V1649 HydrophobicContact CG2-CG2 4.15Å
1644N79.3Confident74.8Confident23 Ų2340.8 Ų40.812%0.12321%0.207CC..  trans-88.8157178.6-78.4-1.9000111.4N1642 D1646 N1647 S1648 Y1650N1642-N1644 PolarHBondContact ND2-OD1 3.19Å; N1644-D1646 WeakPolarHBondContact CB-OD1 3.3Å; N1644-D1646 PolarHBondContact O-N 3.34Å; N1644-N1647 PolarHBondContact O-N 3.06Å; N1644-S1648 PolarHBondContact N-O 3.05Å; N1644-S1648 PolarHBondContact ND2-OG 2.82Å; N1644-Y1650 WeakPolarHBondContact ND2-CE2 3.3Å
1645P68.9Low73.9Confident36 Ų3639.8 Ų39.823%0.23421%0.211CC..THydrogen-bonded Turntrans-71.6-6.2175.931.4-37.8000114.1G1629 H1630 N1647G1629-P1645 WeakPolarHBondContact O-CD 3.47Å; H1630-P1645 VanDerWaalsContact CE1-CD 3.45Å; H1630-P1645 WeakPolarHBondContact CE1-CD 3.4Å; H1630-P1645 VanDerWaalsContact CE1-CG 3.49Å; H1630-P1645 WeakPolarHBondContact CE1-CG 3.4Å; H1630-P1645 VanDerWaalsContact ND1-CD 3.35Å; H1630-P1645 WeakPolarHBondContact ND1-CD 3.46Å; P1645-N1647 VanDerWaalsContact C-N 3.25Å
1646D70.4Confident72.8Confident96 Ų9644.1 Ų44.151%0.51323%0.234SC..THydrogen-bonded Turntrans-878.317362.611.4000113N1644 S1648N1644-D1646 WeakPolarHBondContact CB-OD1 3.3Å; N1644-D1646 PolarHBondContact O-N 3.34Å; D1646-S1648 VanDerWaalsContact CG-OG 3.3Å; D1646-S1648 PolarHBondContact O-N 2.85Å; D1646-S1648 VanDerWaalsContact OD1-CB 3.29Å; D1646-S1648 WeakPolarHBondContact OD1-CB 3.25Å; D1646-S1648 PolarHBondContact OD1-N 3.3Å; D1646-S1648 PolarHBondContact OD1-OG 2.79Å; D1646-S1648 PolarHBondContact OD2-OG 2.89Å
1647N67.3Low72.1Confident38 Ų3848.8 Ų48.820%0.20326%0.257CS..SBendtrans66.217.9-176-33.3-61.7000114.8H1229 N1644 P1645 S1671H1229-N1647 PolarHBondContact ND1-OD1 3.39Å; N1644-N1647 PolarHBondContact O-N 3.06Å; P1645-N1647 VanDerWaalsContact C-N 3.25Å; N1647-S1671 WeakPolarHBondContact CB-OG 3.4Å
1648S74.8Confident71.3Confident3 Ų350.6 Ų50.62%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-89.1143.4164.867.80000111.9N1644 D1646 Y1650N1644-S1648 PolarHBondContact N-O 3.05Å; N1644-S1648 PolarHBondContact ND2-OG 2.82Å; D1646-S1648 VanDerWaalsContact CG-OG 3.3Å; D1646-S1648 PolarHBondContact O-N 2.85Å; D1646-S1648 VanDerWaalsContact OD1-CB 3.29Å; D1646-S1648 WeakPolarHBondContact OD1-CB 3.25Å; D1646-S1648 PolarHBondContact OD1-N 3.3Å; D1646-S1648 PolarHBondContact OD1-OG 2.79Å; D1646-S1648 PolarHBondContact OD2-OG 2.89Å; S1648-Y1650 VanDerWaalsContact OG-CE2 3.22Å; S1648-Y1650 WeakPolarHBondContact OG-CE2 3.3Å; S1648-Y1650 PolarHBondContact OG-OH 2.84Å
1649V79.5Confident70.3Confident2 Ų253.5 Ų53.51%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-130.7126.5-177.4-179.70000109.5I1215 L1641 N1642 I1643 M1669I1215-V1649 HydrophobicContact CD1-CB 4.33Å; I1215-V1649 HydrophobicContact CD1-CG2 3.64Å; L1641-V1649 HydrophobicContact CD1-CG1 3.45Å; L1641-V1649 VanDerWaalsContact CD1-CG1 3.45Å; L1641-V1649 HydrophobicContact CD2-CG1 4.47Å; L1641-V1649 HydrophobicContact CG-CG1 4.02Å; N1642-V1649 CarbonylContact O-C 3.57Å; N1642-V1649 WeakPolarHBondContact O-CA 3.41Å; I1643-V1649 HydrophobicContact CB-CG2 4.39Å; I1643-V1649 HydrophobicContact CG1-CG1 4.07Å; I1643-V1649 HydrophobicContact CG1-CG2 4.05Å; I1643-V1649 HydrophobicContact CG2-CG2 4.15Å; V1649-M1669 HydrophobicContact CB-CB 4.44Å; V1649-M1669 HydrophobicContact CG1-CE 4.19Å; V1649-M1669 PolarHBondContact N-O 2.97Å; V1649-M1669 PolarHBondContact O-N 2.88Å
1650Y83.7Confident69.2Low56 Ų5661.1 Ų61.122%0.2232%0.321CS..EExtended strand (participates in β ladder)trans-116.4123.8-178.2-54.9-100.6000109.7L1641 N1642 N1644 S1648 V1666 Y1667 E1668L1641-Y1650 CarbonylContact C-O 3.36Å; L1641-Y1650 WeakPolarHBondContact CA-O 3.17Å; N1642-Y1650 PolarHBondContact N-O 2.82Å; N1642-Y1650 PolarHBondContact O-N 2.81Å; N1644-Y1650 WeakPolarHBondContact ND2-CE2 3.3Å; S1648-Y1650 VanDerWaalsContact OG-CE2 3.22Å; S1648-Y1650 WeakPolarHBondContact OG-CE2 3.3Å; S1648-Y1650 PolarHBondContact OG-OH 2.84Å; Y1650-V1666 HydrophobicContact CD1-CG1 3.98Å; Y1650-Y1667 CarbonylContact C-O 3.59Å; Y1650-Y1667 VanDerWaalsContact CA-O 3.31Å; Y1650-Y1667 WeakPolarHBondContact CA-O 3.47Å; Y1650-E1668 HydrophobicContact CD1-CB 3.98Å; Y1650-E1668 HydrophobicContact CD1-CG 3.91Å; Y1650-E1668 HydrophobicContact CE1-CB 4Å; Y1650-E1668 HydrophobicContact CE1-CG 3.49Å; Y1650-E1668 VanDerWaalsContact CE1-CG 3.49Å; Y1650-E1668 PolarHBondContact OH-OE1 3.18Å
1651Y85.4Confident67.8Low4 Ų459.9 Ų59.92%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-105.7133.5168.7-178-112.3000111K1128 D1129 F1133 Q1640 L1641 Y1667K1128-Y1651 HydrophobicContact CB-CD1 4.48Å; K1128-Y1651 HydrophobicContact CB-CE1 3.97Å; K1128-Y1651 HydrophobicContact CG-CD1 4.46Å; K1128-Y1651 HydrophobicContact CG-CE1 3.78Å; D1129-Y1651 PolarHBondContact OD2-OH 3.18Å; F1133-Y1651 HydrophobicContact CE1-CD2 4.08Å; F1133-Y1651 HydrophobicContact CE1-CG 4.27Å; F1133-Y1651 AromaticContact CE2-CD1 3.84Å; F1133-Y1651 HydrophobicContact CE2-CD1 3.84Å; F1133-Y1651 HydrophobicContact CE2-CD2 4.16Å; F1133-Y1651 HydrophobicContact CE2-CE1 4.1Å; F1133-Y1651 HydrophobicContact CE2-CE2 4.39Å; F1133-Y1651 AromaticContact CE2-CG 3.86Å; F1133-Y1651 HydrophobicContact CE2-CG 3.86Å; F1133-Y1651 AromaticContact CZ-CD1 3.95Å; F1133-Y1651 HydrophobicContact CZ-CD1 3.95Å; F1133-Y1651 AromaticContact CZ-CD2 3.4Å; F1133-Y1651 HydrophobicContact CZ-CD2 3.4Å; F1133-Y1651 HydrophobicContact CZ-CE1 4.21Å; F1133-Y1651 AromaticContact CZ-CE2 3.7Å; F1133-Y1651 HydrophobicContact CZ-CE2 3.7Å; F1133-Y1651 AromaticContact CZ-CG 3.53Å; F1133-Y1651 HydrophobicContact CZ-CG 3.53Å; Q1640-Y1651 WeakPolarHBondContact O-CD2 3.33Å; L1641-Y1651 HydrophobicContact CB-CD2 4.39Å; L1641-Y1651 HydrophobicContact CD1-CD2 4.21Å; Y1651-Y1667 HydrophobicContact CD1-CD2 4.37Å; Y1651-Y1667 PolarHBondContact N-O 3.09Å; Y1651-Y1667 PolarHBondContact O-N 3.22Å
1652T82Confident66.8Low35 Ų3567.2 Ų67.222%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-127.5135.2174.358.80000111G1639 Q1640 V1666G1639-T1652 CarbonylContact C-O 3.58Å; G1639-T1652 WeakPolarHBondContact CA-O 3.13Å; Q1640-T1652 PolarHBondContact N-O 2.81Å; Q1640-T1652 PolarHBondContact O-N 2.85Å; Q1640-T1652 PolarHBondContact O-OG1 2.82Å; T1652-V1666 HydrophobicContact CG2-CB 4.32Å; T1652-V1666 HydrophobicContact CG2-CG1 4.08Å; T1652-V1666 HydrophobicContact CG2-CG2 3.96Å
1653S78.9Confident65.9Low15 Ų1571 Ų7111%0.10537%0.372CS..  trans-88.3148.3177.1-177.60000111.5K1128 D1129 S1655K1128-S1653 PolarHBondContact NZ-OG 2.82Å; D1129-S1653 WeakPolarHBondContact OD2-CB 3.48Å; D1129-S1653 PolarHBondContact OD2-OG 2.82Å; S1653-S1655 PolarHBondContact OG-N 3.05Å
1654Q66.8Low65.4Low118 Ų11874.8 Ų74.855%0.55140%0.397SS*.  trans-102.4-7.7174.8-176.1167.6-15.500113.5G1639 L1656G1639-Q1654 VanDerWaalsContact N-CB 3.3Å; G1639-Q1654 VanDerWaalsContact N-OE1 3.13Å; Q1654-L1656 WeakPolarHBondContact O-CD1 3.25Å; Q1654-L1656 PolarHBondContact O-N 2.94Å
1655S55.2Low65.3Low68 Ų6873.9 Ų73.948%0.47639%0.392SS..  trans-80.380.9-172.3-56.70000112.8S1653 E1657S1653-S1655 PolarHBondContact OG-N 3.05Å; S1655-E1657 PolarHBondContact O-N 2.87Å
1656L48.8Very low66Low106 Ų10675.4 Ų75.456%0.55540%0.4SS*.G310 helixtrans-71.6-8.5175.8-85.789.2000114.7Q1654 I1658 L1661Q1654-L1656 WeakPolarHBondContact O-CD1 3.25Å; Q1654-L1656 PolarHBondContact O-N 2.94Å; L1656-I1658 VanDerWaalsContact C-N 3.26Å; L1656-I1658 PolarHBondContact O-N 2.95Å; L1656-I1658 VanDerWaalsContact O-N 3.15Å; L1656-L1661 WeakPolarHBondContact CD2-O 3.46Å
1657E49.3Very low66.8Low196 Ų19670.8 Ų70.892%0.91638%0.376SS*.G310 helixtrans-62-25.9-170.2-63.3-168145.200115.1S1655S1655-E1657 PolarHBondContact O-N 2.87Å
1658I47.3Very low67.7Low122 Ų12270.2 Ų70.263%0.62637%0.372SS*.G310 helixtrans-73.8-38.1-169.7-63-179.2000112.1L1656L1656-I1658 VanDerWaalsContact C-N 3.26Å; L1656-I1658 PolarHBondContact O-N 2.95Å; L1656-I1658 VanDerWaalsContact O-N 3.15Å
1659V43.5Very low68.1Low70 Ų7070.2 Ų70.242%0.42437%0.371SS..SBendtrans-150.2138.8170-1720000109.1L1661V1659-L1661 HydrophobicContact CB-CD1 3.65Å; V1659-L1661 HydrophobicContact CB-CG 3.84Å; V1659-L1661 HydrophobicContact CG1-CD1 4.17Å; V1659-L1661 HydrophobicContact CG1-CD2 4.27Å; V1659-L1661 HydrophobicContact CG1-CG 3.89Å; V1659-L1661 HydrophobicContact CG2-CD1 4.29Å; V1659-L1661 WeakPolarHBondContact O-CG 3.5Å; V1659-L1661 PolarHBondContact O-N 2.96Å
1660N49.6Very low68Low165 Ų16571.5 Ų71.588%0.88238%0.376SS*.  trans-57.495.3169.3-79.8-31.4000112
1661L49.9Very low67.1Low52 Ų5269.2 Ų69.227%0.27237%0.369SS..  trans-136.4126.6-173.8-67.8163.5000110.7L1656 V1659 E1663 P1683L1656-L1661 WeakPolarHBondContact CD2-O 3.46Å; V1659-L1661 HydrophobicContact CB-CD1 3.65Å; V1659-L1661 HydrophobicContact CB-CG 3.84Å; V1659-L1661 HydrophobicContact CG1-CD1 4.17Å; V1659-L1661 HydrophobicContact CG1-CD2 4.27Å; V1659-L1661 HydrophobicContact CG1-CG 3.89Å; V1659-L1661 HydrophobicContact CG2-CD1 4.29Å; V1659-L1661 WeakPolarHBondContact O-CG 3.5Å; V1659-L1661 PolarHBondContact O-N 2.96Å; L1661-E1663 VanDerWaalsContact C-N 3.31Å; L1661-E1663 PolarHBondContact O-N 2.84Å; L1661-P1683 HydrophobicContact CB-CB 4.41Å; L1661-P1683 HydrophobicContact CD1-CB 3.39Å; L1661-P1683 HydrophobicContact CD1-CG 3.71Å; L1661-P1683 HydrophobicContact CD2-CB 3.78Å; L1661-P1683 HydrophobicContact CG-CB 4.06Å
1662N59.5Low65.7Low166 Ų16673.9 Ų73.989%0.88839%0.389SS*.SBendtrans-83.3-3.7-173.3-60.92.3000114.1
1663E64.8Low64.4Low119 Ų11976 Ų7656%0.55640%0.399SS*.SBendtrans-130111.7-177.4-67.7175.2168.700108.4L1661 K1685L1661-E1663 VanDerWaalsContact C-N 3.31Å; L1661-E1663 PolarHBondContact O-N 2.84Å; E1663-K1685 IonicContact OE1-NZ 3.15Å; E1663-K1685 IonicContact OE2-NZ 2.74Å; E1663-K1685 PolarHBondContact OE2-NZ 3.27Å
1664P69.2Low63.4Low80 Ų8078.4 Ų78.452%0.51941%0.409SS..PPolyproline II helixtrans-74.8147.2175.830.7-34.1000111.2V1666P1664-V1666 PolarHBondContact O-N 2.89Å
1665T76.3Confident63.2Low5 Ų577.5 Ų77.53%0.03141%0.405CS..PPolyproline II helixtrans-61.6128.2173.9-42.90000110.4D1104 Y1667 C1680D1104-T1665 WeakPolarHBondContact CB-OG1 3.42Å; D1104-T1665 WeakPolarHBondContact OD2-CB 3.49Å; D1104-T1665 PolarHBondContact OD2-OG1 2.82Å; T1665-Y1667 HydrophobicContact CG2-CD2 3.97Å; T1665-Y1667 HydrophobicContact CG2-CE1 4.41Å; T1665-Y1667 HydrophobicContact CG2-CE2 3.54Å; T1665-C1680 HydrophobicContact CG2-CB 4.4Å
1666V84Confident64.1Low67 Ų6774.7 Ų74.741%0.40639%0.386SS..EExtended strand (participates in β ladder)trans-100.8127.1165.5-170.90000108.1Y1650 T1652 P1664 C1680Y1650-V1666 HydrophobicContact CD1-CG1 3.98Å; T1652-V1666 HydrophobicContact CG2-CB 4.32Å; T1652-V1666 HydrophobicContact CG2-CG1 4.08Å; T1652-V1666 HydrophobicContact CG2-CG2 3.96Å; P1664-V1666 PolarHBondContact O-N 2.89Å; V1666-C1680 WeakPolarHBondContact O-CA 3.47Å; V1666-C1680 VanDerWaalsContact O-CB 3.32Å; V1666-C1680 WeakPolarHBondContact O-CB 3.32Å
1667Y86.7Confident65.3Low0 Ų070.4 Ų70.40%036%0.363CS..EExtended strand (participates in β ladder)trans-103.5114.6169-65.7-94000108.7P1102 D1104 I1108 L1126 K1128 Y1650 Y1651 T1665 C1680P1102-Y1667 HydrophobicContact CG-CE1 4.29Å; D1104-Y1667 PolarHBondContact OD1-OH 3.12Å; D1104-Y1667 PolarHBondContact OD2-OH 3.08Å; I1108-Y1667 HydrophobicContact CD1-CE1 4.36Å; I1108-Y1667 HydrophobicContact CG1-CE1 4.48Å; L1126-Y1667 HydrophobicContact CD1-CD1 3.49Å; L1126-Y1667 VanDerWaalsContact CD1-CD1 3.49Å; L1126-Y1667 HydrophobicContact CD1-CE1 3.42Å; L1126-Y1667 VanDerWaalsContact CD1-CE1 3.42Å; L1126-Y1667 HydrophobicContact CD1-CG 4.12Å; L1126-Y1667 HydrophobicContact CD2-CD1 3.72Å; L1126-Y1667 HydrophobicContact CD2-CD2 4.24Å; L1126-Y1667 HydrophobicContact CD2-CE1 4.43Å; L1126-Y1667 HydrophobicContact CD2-CG 3.59Å; L1126-Y1667 HydrophobicContact CG-CD1 4.27Å; K1128-Y1667 HydrophobicContact CD-CE2 4.42Å; K1128-Y1667 HydrophobicContact CG-CE2 4.25Å; Y1650-Y1667 CarbonylContact C-O 3.59Å; Y1650-Y1667 VanDerWaalsContact CA-O 3.31Å; Y1650-Y1667 WeakPolarHBondContact CA-O 3.47Å; Y1651-Y1667 HydrophobicContact CD1-CD2 4.37Å; Y1651-Y1667 PolarHBondContact N-O 3.09Å; Y1651-Y1667 PolarHBondContact O-N 3.22Å; T1665-Y1667 HydrophobicContact CG2-CD2 3.97Å; T1665-Y1667 HydrophobicContact CG2-CE1 4.41Å; T1665-Y1667 HydrophobicContact CG2-CE2 3.54Å; Y1667-C1680 HydrophobicContact CD1-CB 3.43Å; Y1667-C1680 VanDerWaalsContact CD1-CB 3.43Å; Y1667-C1680 HydrophobicContact CE1-CB 3.87Å; Y1667-C1680 VanDerWaalsContact CE1-SG 3.54Å; Y1667-C1680 HydrophobicContact CG-CB 3.97Å
1668E86.1Confident67Low26 Ų2661.1 Ų61.112%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-99.7129176.4-176.2172.8179.400109.3Y1650 R1670 L1678 E1679Y1650-E1668 HydrophobicContact CD1-CB 3.98Å; Y1650-E1668 HydrophobicContact CD1-CG 3.91Å; Y1650-E1668 HydrophobicContact CE1-CB 4Å; Y1650-E1668 HydrophobicContact CE1-CG 3.49Å; Y1650-E1668 VanDerWaalsContact CE1-CG 3.49Å; Y1650-E1668 PolarHBondContact OH-OE1 3.18Å; E1668-R1670 HydrophobicContact CG-CG 4.44Å; E1668-R1670 IonicContact OE1-CZ 2.72Å; E1668-R1670 IonicContact OE1-NE 2.82Å; E1668-R1670 PolarHBondContact OE1-NE 2.9Å; E1668-R1670 IonicContact OE1-NH2 2.64Å; E1668-R1670 PolarHBondContact OE1-NH2 2.65Å; E1668-R1670 IonicContact OE2-NH2 2.68Å; E1668-R1670 PolarHBondContact OE2-NH2 3.24Å; E1668-L1678 CarbonylContact O-C 3.53Å; E1668-L1678 VanDerWaalsContact O-CA 3.31Å; E1668-L1678 WeakPolarHBondContact O-CA 3.29Å; E1668-E1679 PolarHBondContact N-O 2.91Å; E1668-E1679 PolarHBondContact O-N 3.41Å
1669M82.9Confident68.9Low2 Ų255.7 Ų55.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-125.4138.7179.1-71.5177.9-6900109.1L1126 F1133 I1135 V1649 L1677 L1678L1126-M1669 HydrophobicContact CB-SD 4.47Å; L1126-M1669 HydrophobicContact CD2-CE 4.35Å; L1126-M1669 HydrophobicContact CD2-SD 4.33Å; F1133-M1669 HydrophobicContact CB-CE 3.91Å; F1133-M1669 HydrophobicContact CB-SD 3.92Å; F1133-M1669 HydrophobicContact CD1-CE 4.05Å; F1133-M1669 HydrophobicContact CG-CE 3.97Å; I1135-M1669 HydrophobicContact CD1-CB 4.13Å; I1135-M1669 HydrophobicContact CD1-CG 4.35Å; V1649-M1669 HydrophobicContact CB-CB 4.44Å; V1649-M1669 HydrophobicContact CG1-CE 4.19Å; V1649-M1669 PolarHBondContact N-O 2.97Å; V1649-M1669 PolarHBondContact O-N 2.88Å; M1669-L1677 CarbonylContact C-O 3.58Å; M1669-L1677 WeakPolarHBondContact CA-O 3.22Å; M1669-L1678 HydrophobicContact CG-CD1 4.03Å; M1669-L1678 HydrophobicContact CG-CG 4.18Å; M1669-L1678 HydrophobicContact SD-CD1 4.44Å
1670R77.4Confident71.1Confident29 Ų2952.5 Ų52.511%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-138.9146-179.7-51.1-165.2-156.1101.2-5.6111.4N1195 E1668 S1676 L1677 E1679N1195-R1670 VanDerWaalsContact CG-NH1 3.31Å; N1195-R1670 PolarHBondContact ND2-NH2 3.07Å; N1195-R1670 PolarHBondContact OD1-NH1 3.36Å; E1668-R1670 HydrophobicContact CG-CG 4.44Å; E1668-R1670 IonicContact OE1-CZ 2.72Å; E1668-R1670 IonicContact OE1-NE 2.82Å; E1668-R1670 PolarHBondContact OE1-NE 2.9Å; E1668-R1670 IonicContact OE1-NH2 2.64Å; E1668-R1670 PolarHBondContact OE1-NH2 2.65Å; E1668-R1670 IonicContact OE2-NH2 2.68Å; E1668-R1670 PolarHBondContact OE2-NH2 3.24Å; R1670-S1676 PolarHBondContact NH1-O 3.14Å; R1670-L1677 PolarHBondContact N-O 2.88Å; R1670-L1677 WeakPolarHBondContact O-CD2 3.47Å; R1670-E1679 IonicContact NH2-OE2 2.87Å
1671S65.5Low72.8Confident9 Ų947.6 Ų47.66%0.06325%0.249CC..  trans-101.7-18.1-176.6560000114.9H1213 N1647H1213-S1671 PolarHBondContact CD2-O 3.35Å; H1213-S1671 VanDerWaalsContact CD2-O 3.27Å; N1647-S1671 WeakPolarHBondContact CB-OG 3.4Å
1672K56.9Low74.4Confident101 Ų10145.2 Ų45.244%0.43924%0.236SC..SBendtrans-146160-173.9-124.1-175.6174.9-168.40113.8M1674K1672-M1674 PolarHBondContact O-N 2.96Å
1673D54.9Low75Confident80 Ų8038.5 Ų38.543%0.42820%0.202SC..SBendtrans58.120.4156-52.2-30.9000117.8V1197 N1198 L1199V1197-D1673 VanDerWaalsContact O-O 3.06Å; N1198-D1673 PolarHBondContact N-O 2.86Å; L1199-D1673 HydrophobicContact CD1-CB 3.79Å; L1199-D1673 WeakPolarHBondContact CD1-OD1 3.31Å
1674M56.2Low75.6Confident66 Ų6638 Ų3833%0.32520%0.199SC..SBendtrans-136.2154.4177.5-75.3-6815100112.6N1195 V1197 K1672 S1676N1195-M1674 HydrophobicContact CB-SD 3.86Å; V1197-M1674 WeakPolarHBondContact O-CA 3.33Å; K1672-M1674 PolarHBondContact O-N 2.96Å; M1674-S1676 PolarHBondContact O-N 3.07Å
1675E64.2Low76Confident99 Ų9939.3 Ų39.346%0.46320%0.196SC..SBendtrans-65.8-19.1177.3-61.3167.3124.200113.5S1196 V1197 D1691 S1692S1196-E1675 PolarHBondContact N-OE2 2.81Å; V1197-E1675 HydrophobicContact CB-CG 4.32Å; E1675-D1691 WeakPolarHBondContact O-CA 3.18Å; E1675-D1691 WeakPolarHBondContact O-CB 3.4Å; E1675-S1692 PolarHBondContact O-N 3.07Å
1676S72.3Confident76.2Confident9 Ų939.5 Ų39.56%0.06320%0.197CC..EExtended strand (participates in β ladder)trans-129.2125.8-175.3-1630000112.5R1670 M1674 L1678 V1690R1670-S1676 PolarHBondContact NH1-O 3.14Å; M1674-S1676 PolarHBondContact O-N 3.07Å; S1676-L1678 PolarHBondContact OG-O 2.88Å; S1676-V1690 CarbonylContact C-O 3.6Å; S1676-V1690 VanDerWaalsContact CA-O 3.29Å; S1676-V1690 WeakPolarHBondContact CA-O 3.07Å; S1676-V1690 PolarHBondContact OG-O 3.36Å
1677L74.8Confident76.3Confident15 Ų1536.6 Ų36.68%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-81.1-32.9175.7-68.5176.6000112.7V1124 M1669 R1670 V1690 D1691V1124-L1677 HydrophobicContact CG2-CD1 4.29Å; M1669-L1677 CarbonylContact C-O 3.58Å; M1669-L1677 WeakPolarHBondContact CA-O 3.22Å; R1670-L1677 PolarHBondContact N-O 2.88Å; R1670-L1677 WeakPolarHBondContact O-CD2 3.47Å; L1677-V1690 PolarHBondContact N-O 3.15Å; L1677-D1691 WeakPolarHBondContact CD1-O 3.44Å
1678L84.9Confident76.2Confident1 Ų136.6 Ų36.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-142130.8177.3-174.7156000110.6I1108 V1124 L1126 E1668 M1669 S1676 T1689 V1690I1108-L1678 HydrophobicContact CD1-CD2 3.66Å; I1108-L1678 HydrophobicContact CG1-CD1 4.48Å; I1108-L1678 HydrophobicContact CG1-CD2 4.16Å; I1108-L1678 HydrophobicContact CG2-CD1 4.24Å; I1108-L1678 HydrophobicContact CG2-CD2 4.38Å; V1124-L1678 HydrophobicContact CG1-CB 4.35Å; V1124-L1678 HydrophobicContact CG1-CD1 4.18Å; L1126-L1678 HydrophobicContact CB-CD1 4.18Å; E1668-L1678 CarbonylContact O-C 3.53Å; E1668-L1678 VanDerWaalsContact O-CA 3.31Å; E1668-L1678 WeakPolarHBondContact O-CA 3.29Å; M1669-L1678 HydrophobicContact CG-CD1 4.03Å; M1669-L1678 HydrophobicContact CG-CG 4.18Å; M1669-L1678 HydrophobicContact SD-CD1 4.44Å; S1676-L1678 PolarHBondContact OG-O 2.88Å; L1678-T1689 CarbonylContact O-C 3.56Å; L1678-T1689 WeakPolarHBondContact O-CA 3.28Å; L1678-V1690 HydrophobicContact CB-CB 4.12Å; L1678-V1690 HydrophobicContact CB-CG2 4.24Å; L1678-V1690 HydrophobicContact CD2-CG2 4.44Å; L1678-V1690 PolarHBondContact N-O 2.85Å; L1678-V1690 PolarHBondContact O-N 2.8Å
1679E87.8Confident76.3Confident9 Ų936.2 Ų36.24%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-133.5131177.1-179.6177.9164.800109.3T1194 N1195 E1668 R1670 T1689T1194-E1679 WeakPolarHBondContact CB-OE2 3.24Å; T1194-E1679 HydrophobicContact CG2-CG 4.38Å; T1194-E1679 PolarHBondContact OG1-OE1 3.46Å; T1194-E1679 PolarHBondContact OG1-OE2 3.48Å; N1195-E1679 PolarHBondContact ND2-OE2 3.18Å; E1668-E1679 PolarHBondContact N-O 2.91Å; E1668-E1679 PolarHBondContact O-N 3.41Å; R1670-E1679 IonicContact NH2-OE2 2.87Å; E1679-T1689 HydrophobicContact CB-CG2 4.32Å; E1679-T1689 HydrophobicContact CG-CG2 4.07Å
1680C88.8Confident76.5Confident2 Ų236.1 Ų36.11%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-146.9154.7168.577.80000111.4T1665 V1666 Y1667 V1687 Y1688T1665-C1680 HydrophobicContact CG2-CB 4.4Å; V1666-C1680 WeakPolarHBondContact O-CA 3.47Å; V1666-C1680 VanDerWaalsContact O-CB 3.32Å; V1666-C1680 WeakPolarHBondContact O-CB 3.32Å; Y1667-C1680 HydrophobicContact CD1-CB 3.43Å; Y1667-C1680 VanDerWaalsContact CD1-CB 3.43Å; Y1667-C1680 HydrophobicContact CE1-CB 3.87Å; Y1667-C1680 VanDerWaalsContact CE1-SG 3.54Å; Y1667-C1680 HydrophobicContact CG-CB 3.97Å; C1680-V1687 CarbonylContact O-C 3.52Å; C1680-V1687 VanDerWaalsContact O-CA 3.22Å; C1680-V1687 WeakPolarHBondContact O-CA 3.33Å; C1680-Y1688 PolarHBondContact N-O 3.19Å; C1680-Y1688 PolarHBondContact O-N 3Å
1681T86.4Confident76.7Confident63 Ų6336.8 Ų36.839%0.38718%0.184SC..EExtended strand (participates in β ladder)trans-122.5112173.3-58.30000110N1686 V1687T1681-N1686 CarbonylContact C-O 3.56Å; T1681-N1686 VanDerWaalsContact CA-O 3.31Å; T1681-N1686 WeakPolarHBondContact CA-O 3.48Å; T1681-V1687 HydrophobicContact CG2-CG2 4.3Å; T1681-V1687 WeakPolarHBondContact OG1-CG2 3.46Å
1682D82.6Confident77.1Confident2 Ų237.7 Ų37.71%0.01119%0.191CC..EExtended strand (participates in β ladder)trans-70.6163.7177.785.813.6000112.7P1102 T1103 H1684 K1685 N1686 Y1688P1102-D1682 HydrophobicContact CB-CB 4.14Å; T1103-D1682 WeakPolarHBondContact CG2-OD2 3.38Å; T1103-D1682 PolarHBondContact N-OD2 3Å; T1103-D1682 PolarHBondContact OG1-OD1 2.97Å; T1103-D1682 PolarHBondContact OG1-OD2 3.2Å; D1682-H1684 PolarHBondContact O-N 3.42Å; D1682-H1684 WeakPolarHBondContact OD1-CA 3.14Å; D1682-H1684 WeakPolarHBondContact OD1-CB 3.22Å; D1682-H1684 PolarHBondContact OD1-N 2.76Å; D1682-K1685 WeakPolarHBondContact O-CA 3.31Å; D1682-K1685 PolarHBondContact O-N 3.49Å; D1682-K1685 PolarHBondContact OD1-N 3.02Å; D1682-N1686 VanDerWaalsContact CG-CB 3.47Å; D1682-N1686 PolarHBondContact N-O 3.45Å; D1682-N1686 PolarHBondContact O-N 3.17Å; D1682-N1686 WeakPolarHBondContact OD1-CA 3.43Å; D1682-N1686 VanDerWaalsContact OD1-CB 3.25Å; D1682-N1686 WeakPolarHBondContact OD1-CB 3.33Å; D1682-N1686 PolarHBondContact OD1-N 2.86Å; D1682-N1686 PolarHBondContact OD1-ND2 3.27Å; D1682-N1686 WeakPolarHBondContact OD2-CB 3.28Å; D1682-N1686 PolarHBondContact OD2-ND2 2.67Å; D1682-Y1688 HydrophobicContact CB-CE2 4.01Å; D1682-Y1688 WeakPolarHBondContact OD2-CE2 3.39Å; D1682-Y1688 PolarHBondContact OD2-OH 3.27Å
1683P72.1Confident77.9Confident25 Ų2538.9 Ų38.916%0.16219%0.193CC..THydrogen-bonded Turntrans-69.2-14.6-173.7-24.237.1000115.4D1104 L1661 K1685D1104-P1683 HydrophobicContact CB-CG 4.44Å; L1661-P1683 HydrophobicContact CB-CB 4.41Å; L1661-P1683 HydrophobicContact CD1-CB 3.39Å; L1661-P1683 HydrophobicContact CD1-CG 3.71Å; L1661-P1683 HydrophobicContact CD2-CB 3.78Å; L1661-P1683 HydrophobicContact CG-CB 4.06Å; P1683-K1685 PolarHBondContact O-N 3.37Å
1684H76.9Confident78.7Confident107 Ų10735.3 Ų35.350%0.49517%0.174SC..THydrogen-bonded Turntrans-80.214.3165.9-67.477.7000112T1103 D1682 N1686 T1701T1103-H1684 VanDerWaalsContact CB-ND1 3.26Å; T1103-H1684 WeakPolarHBondContact CB-ND1 3.24Å; T1103-H1684 HydrophobicContact CG2-CB 4.2Å; T1103-H1684 WeakPolarHBondContact CG2-ND1 3.39Å; T1103-H1684 PolarHBondContact OG1-ND1 2.94Å; D1682-H1684 PolarHBondContact O-N 3.42Å; D1682-H1684 WeakPolarHBondContact OD1-CA 3.14Å; D1682-H1684 WeakPolarHBondContact OD1-CB 3.22Å; D1682-H1684 PolarHBondContact OD1-N 2.76Å; H1684-N1686 WeakPolarHBondContact CB-ND2 3.43Å; H1684-T1701 PolarHBondContact O-OG1 3.26Å
1685K78.5Confident79.9Confident109 Ų10935.2 Ų35.247%0.47418%0.175SC..THydrogen-bonded Turntrans6139.7-175.4-51.5-156.6176.4-125.20112.5R1191 E1663 D1682 P1683 T1701R1191-K1685 WeakPolarHBondContact CD-O 3.28Å; R1191-K1685 PolarHBondContact NH1-O 3.14Å; E1663-K1685 IonicContact OE1-NZ 3.15Å; E1663-K1685 IonicContact OE2-NZ 2.74Å; E1663-K1685 PolarHBondContact OE2-NZ 3.27Å; D1682-K1685 WeakPolarHBondContact O-CA 3.31Å; D1682-K1685 PolarHBondContact O-N 3.49Å; D1682-K1685 PolarHBondContact OD1-N 3.02Å; P1683-K1685 PolarHBondContact O-N 3.37Å; K1685-T1701 HydrophobicContact CB-CG2 4.44Å; K1685-T1701 PolarHBondContact O-OG1 2.94Å
1686N80.9Confident80.7Confident9 Ų932.1 Ų32.15%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-91.9100.6172.8-57.2-78000115.2R1191 T1681 D1682 H1684 Y1688 L1700 T1701R1191-N1686 PolarHBondContact NH1-OD1 3.04Å; R1191-N1686 VanDerWaalsContact NH2-CA 3.3Å; R1191-N1686 PolarHBondContact NH2-OD1 3.31Å; T1681-N1686 CarbonylContact C-O 3.56Å; T1681-N1686 VanDerWaalsContact CA-O 3.31Å; T1681-N1686 WeakPolarHBondContact CA-O 3.48Å; D1682-N1686 VanDerWaalsContact CG-CB 3.47Å; D1682-N1686 PolarHBondContact N-O 3.45Å; D1682-N1686 PolarHBondContact O-N 3.17Å; D1682-N1686 WeakPolarHBondContact OD1-CA 3.43Å; D1682-N1686 VanDerWaalsContact OD1-CB 3.25Å; D1682-N1686 WeakPolarHBondContact OD1-CB 3.33Å; D1682-N1686 PolarHBondContact OD1-N 2.86Å; D1682-N1686 PolarHBondContact OD1-ND2 3.27Å; D1682-N1686 WeakPolarHBondContact OD2-CB 3.28Å; D1682-N1686 PolarHBondContact OD2-ND2 2.67Å; H1684-N1686 WeakPolarHBondContact CB-ND2 3.43Å; N1686-Y1688 HydrophobicContact CB-CD2 4.34Å; N1686-Y1688 HydrophobicContact CB-CE2 3.57Å; N1686-Y1688 WeakPolarHBondContact O-CD2 3.36Å; N1686-Y1688 WeakPolarHBondContact O-CE2 3.18Å; N1686-Y1688 PolarHBondContact O-N 2.86Å; N1686-L1700 WeakPolarHBondContact OD1-CA 3.37Å; N1686-T1701 PolarHBondContact OD1-N 3.13Å; N1686-T1701 VanDerWaalsContact OD1-N 3.13Å; N1686-T1701 PolarHBondContact OD1-OG1 3.33Å
1687V84.9Confident81.1Confident5 Ų535.9 Ų35.93%0.0318%0.183CC..EExtended strand (participates in β ladder)trans-59.5124.4157.8176.50000110.2R1191 C1680 T1681 T1689R1191-V1687 HydrophobicContact CB-CG2 3.75Å; R1191-V1687 HydrophobicContact CG-CB 3.9Å; R1191-V1687 HydrophobicContact CG-CG2 3.53Å; R1191-V1687 PolarHBondContact NH2-O 2.93Å; C1680-V1687 CarbonylContact O-C 3.52Å; C1680-V1687 VanDerWaalsContact O-CA 3.22Å; C1680-V1687 WeakPolarHBondContact O-CA 3.33Å; T1681-V1687 HydrophobicContact CG2-CG2 4.3Å; T1681-V1687 WeakPolarHBondContact OG1-CG2 3.46Å; V1687-T1689 HydrophobicContact CG1-CG2 3.81Å
1688Y86.2Confident81.4Confident0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-113.7140.4160.3-54.8-101.8000107.3M1100 F1101 P1102 C1680 D1682 N1686 V1698M1100-Y1688 HydrophobicContact CB-CD1 3.87Å; M1100-Y1688 HydrophobicContact CB-CE1 4.34Å; M1100-Y1688 HydrophobicContact CG-CD1 4.44Å; M1100-Y1688 HydrophobicContact SD-CD1 4.03Å; F1101-Y1688 PolarHBondContact O-OH 2.93Å; P1102-Y1688 HydrophobicContact CB-CE2 4.07Å; P1102-Y1688 HydrophobicContact CG-CD2 3.93Å; P1102-Y1688 HydrophobicContact CG-CE2 3.85Å; P1102-Y1688 HydrophobicContact CG-CG 4.38Å; C1680-Y1688 PolarHBondContact N-O 3.19Å; C1680-Y1688 PolarHBondContact O-N 3Å; D1682-Y1688 HydrophobicContact CB-CE2 4.01Å; D1682-Y1688 WeakPolarHBondContact OD2-CE2 3.39Å; D1682-Y1688 PolarHBondContact OD2-OH 3.27Å; N1686-Y1688 HydrophobicContact CB-CD2 4.34Å; N1686-Y1688 HydrophobicContact CB-CE2 3.57Å; N1686-Y1688 WeakPolarHBondContact O-CD2 3.36Å; N1686-Y1688 WeakPolarHBondContact O-CE2 3.18Å; N1686-Y1688 PolarHBondContact O-N 2.86Å; Y1688-V1698 HydrophobicContact CD1-CB 4.28Å; Y1688-V1698 HydrophobicContact CD1-CG1 3.72Å; Y1688-V1698 HydrophobicContact CD1-CG2 3.66Å; Y1688-V1698 HydrophobicContact CE1-CG1 3.55Å; Y1688-V1698 HydrophobicContact CE1-CG2 4.15Å
1689T87.9Confident81Confident19 Ų1940.8 Ų40.812%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-141.4141.1-178.135.30000110.8T1194 L1678 E1679 V1687 N1697T1194-T1689 HydrophobicContact CG2-CG2 3.92Å; L1678-T1689 CarbonylContact O-C 3.56Å; L1678-T1689 WeakPolarHBondContact O-CA 3.28Å; E1679-T1689 HydrophobicContact CB-CG2 4.32Å; E1679-T1689 HydrophobicContact CG-CG2 4.07Å; V1687-T1689 HydrophobicContact CG1-CG2 3.81Å; T1689-N1697 PolarHBondContact N-O 2.83Å; T1689-N1697 PolarHBondContact O-N 2.85Å; T1689-N1697 WeakPolarHBondContact OG1-CB 3.31Å; T1689-N1697 PolarHBondContact OG1-O 2.85Å
1690V85.8Confident80.3Confident0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-122.7126.4174.4-177.70000108.3M1100 I1108 T1110 V1124 S1676 L1677 L1678 A1694 N1695M1100-V1690 HydrophobicContact CE-CG2 3.54Å; I1108-V1690 HydrophobicContact CG2-CG2 4.2Å; T1110-V1690 HydrophobicContact CG2-CB 4.47Å; T1110-V1690 HydrophobicContact CG2-CG1 3.66Å; T1110-V1690 HydrophobicContact CG2-CG2 3.9Å; V1124-V1690 HydrophobicContact CG1-CG1 4.33Å; V1124-V1690 HydrophobicContact CG2-CG1 3.98Å; S1676-V1690 CarbonylContact C-O 3.6Å; S1676-V1690 VanDerWaalsContact CA-O 3.29Å; S1676-V1690 WeakPolarHBondContact CA-O 3.07Å; S1676-V1690 PolarHBondContact OG-O 3.36Å; L1677-V1690 PolarHBondContact N-O 3.15Å; L1678-V1690 HydrophobicContact CB-CB 4.12Å; L1678-V1690 HydrophobicContact CB-CG2 4.24Å; L1678-V1690 HydrophobicContact CD2-CG2 4.44Å; L1678-V1690 PolarHBondContact N-O 2.85Å; L1678-V1690 PolarHBondContact O-N 2.8Å; V1690-A1694 HydrophobicContact CG1-CB 4.45Å; V1690-N1695 WeakPolarHBondContact CA-O 3.14Å
1691D82.4Confident79.3Confident42 Ų4247.1 Ų47.123%0.22525%0.246CC..EExtended strand (participates in β ladder)trans-85.917818077.28.9000113.7E1675 L1677 W1693 A1694 N1695E1675-D1691 WeakPolarHBondContact O-CA 3.18Å; E1675-D1691 WeakPolarHBondContact O-CB 3.4Å; L1677-D1691 WeakPolarHBondContact CD1-O 3.44Å; D1691-W1693 PolarHBondContact O-N 3.28Å; D1691-W1693 VanDerWaalsContact O-N 3.17Å; D1691-W1693 VanDerWaalsContact OD1-C 3.25Å; D1691-W1693 WeakPolarHBondContact OD1-CA 3.33Å; D1691-W1693 PolarHBondContact OD1-N 3.27Å; D1691-A1694 PolarHBondContact O-N 2.8Å; D1691-A1694 PolarHBondContact OD1-N 2.77Å; D1691-N1695 VanDerWaalsContact CG-ND2 3.32Å; D1691-N1695 PolarHBondContact N-O 2.84Å; D1691-N1695 VanDerWaalsContact N-O 3.11Å; D1691-N1695 WeakPolarHBondContact OD1-CB 3.4Å; D1691-N1695 PolarHBondContact OD1-N 3.47Å; D1691-N1695 PolarHBondContact OD1-ND2 3.09Å; D1691-N1695 WeakPolarHBondContact OD2-CB 3.38Å; D1691-N1695 PolarHBondContact OD2-ND2 3.16Å
1692S73.4Confident77.5Confident29 Ų2949.9 Ų49.920%0.20326%0.263CS..THydrogen-bonded Turntrans-68.5-2.8178.758.70000115.6K1137 E1675K1137-S1692 PolarHBondContact NZ-O 3.25Å; E1675-S1692 PolarHBondContact O-N 3.07Å
1693W73.2Confident75.8Confident126 Ų12654.1 Ų54.148%0.47729%0.292SS..THydrogen-bonded Turntrans-113.515.1168.8-84-77.7000112.9D1139 D1691 N1695D1139-W1693 PolarHBondContact OD2-NE1 3.35Å; D1691-W1693 PolarHBondContact O-N 3.28Å; D1691-W1693 VanDerWaalsContact O-N 3.17Å; D1691-W1693 VanDerWaalsContact OD1-C 3.25Å; D1691-W1693 WeakPolarHBondContact OD1-CA 3.33Å; D1691-W1693 PolarHBondContact OD1-N 3.27Å; W1693-N1695 PolarHBondContact O-N 2.91Å
1694A72.8Confident74.1Confident5 Ų560.1 Ų60.14%0.04132%0.323CS..  trans63.918.1179.900000115.7T1110 L1122 V1124 V1690 D1691T1110-A1694 HydrophobicContact CG2-CB 4.46Å; T1110-A1694 PolarHBondContact OG1-O 3.26Å; L1122-A1694 HydrophobicContact CD2-CB 4.04Å; V1124-A1694 HydrophobicContact CG2-CB 4.23Å; V1690-A1694 HydrophobicContact CG1-CB 4.45Å; D1691-A1694 PolarHBondContact O-N 2.8Å; D1691-A1694 PolarHBondContact OD1-N 2.77Å
1695N80.7Confident72Confident64 Ų6463.9 Ų63.934%0.34234%0.338SS..  trans-71.3136.5172.6-52.7-74.7000110.3V1690 D1691 W1693V1690-N1695 WeakPolarHBondContact CA-O 3.14Å; D1691-N1695 VanDerWaalsContact CG-ND2 3.32Å; D1691-N1695 PolarHBondContact N-O 2.84Å; D1691-N1695 VanDerWaalsContact N-O 3.11Å; D1691-N1695 WeakPolarHBondContact OD1-CB 3.4Å; D1691-N1695 PolarHBondContact OD1-N 3.47Å; D1691-N1695 PolarHBondContact OD1-ND2 3.09Å; D1691-N1695 WeakPolarHBondContact OD2-CB 3.38Å; D1691-N1695 PolarHBondContact OD2-ND2 3.16Å; W1693-N1695 PolarHBondContact O-N 2.91Å
1696C82.4Confident69.6Low33 Ų3367.4 Ų67.422%0.22335%0.353CS..EExtended strand (participates in β ladder)trans-104.5127.8-173.4-710000112.7T1098 M1100 T1110T1098-C1696 HydrophobicContact CG2-CB 3.7Å; M1100-C1696 HydrophobicContact CE-CB 4.1Å; M1100-C1696 HydrophobicContact CG-CB 4.41Å; M1100-C1696 HydrophobicContact SD-CB 3.68Å; T1110-C1696 WeakPolarHBondContact CG2-SG 3.39Å; T1110-C1696 PolarHBondContact OG1-SG 2.91Å; T1110-C1696 VanDerWaalsContact OG1-SG 3.37Å
1697N80Confident67Low88 Ų8875.2 Ų75.247%0.47139%0.389SS..EExtended strand (participates in β ladder)trans-121.9129.5177.8-79.3-65.6000112.1T1689T1689-N1697 PolarHBondContact N-O 2.83Å; T1689-N1697 PolarHBondContact O-N 2.85Å; T1689-N1697 WeakPolarHBondContact OG1-CB 3.31Å; T1689-N1697 PolarHBondContact OG1-O 2.85Å
1698V80.5Confident64.2Low38 Ų3879.9 Ų79.923%0.2342%0.418CS..EExtended strand (participates in β ladder)trans-131.5106.2-178-171.20000111.1M1100 Y1688 L1700M1100-V1698 HydrophobicContact CG-CG2 4.13Å; M1100-V1698 HydrophobicContact SD-CG2 3.44Å; M1100-V1698 WeakPolarHBondContact SD-CG2 3.44Å; Y1688-V1698 HydrophobicContact CD1-CB 4.28Å; Y1688-V1698 HydrophobicContact CD1-CG1 3.72Å; Y1688-V1698 HydrophobicContact CD1-CG2 3.66Å; Y1688-V1698 HydrophobicContact CE1-CG1 3.55Å; Y1688-V1698 HydrophobicContact CE1-CG2 4.15Å; V1698-L1700 HydrophobicContact CG1-CD2 3.66Å; V1698-L1700 HydrophobicContact CG1-CG 4.15Å; V1698-L1700 PolarHBondContact O-N 2.66Å
1699L76.8Confident61.4Low81 Ų8184.7 Ų84.742%0.42445%0.447SS..  trans-94.642.4-166-70170.7000115.6R1191 I1192R1191-L1699 PolarHBondContact NE-O 2.79Å; R1191-L1699 PolarHBondContact NH1-O 3.47Å; R1191-L1699 PolarHBondContact NH2-O 3.16Å; I1192-L1699 HydrophobicContact CB-CD1 4.5Å; I1192-L1699 HydrophobicContact CD1-CD1 4.26Å; I1192-L1699 HydrophobicContact CG2-CD1 4.25Å
1700L73.8Confident58.5Low93 Ų9390.6 Ų90.649%0.48748%0.477SS..  trans-32.6130.4-162.1-62.5-179.5000118.2R876 N1686 V1698 V1702R876-L1700 HydrophobicContact CB-CD2 3.88Å; R876-L1700 HydrophobicContact CG-CD2 3.77Å; N1686-L1700 WeakPolarHBondContact OD1-CA 3.37Å; V1698-L1700 HydrophobicContact CG1-CD2 3.66Å; V1698-L1700 HydrophobicContact CG1-CG 4.15Å; V1698-L1700 PolarHBondContact O-N 2.66Å; L1700-V1702 PolarHBondContact O-N 3.18Å; L1700-V1702 VanDerWaalsContact O-N 3.16Å
1701T68Low55.9Low52 Ų5297.6 Ų97.632%0.31952%0.515SS..  trans-79.2100.4-178.310.20000110.2R1191 H1684 K1685 N1686 S1703R1191-T1701 PolarHBondContact NH1-OG1 2.94Å; H1684-T1701 PolarHBondContact O-OG1 3.26Å; K1685-T1701 HydrophobicContact CB-CG2 4.44Å; K1685-T1701 PolarHBondContact O-OG1 2.94Å; N1686-T1701 PolarHBondContact OD1-N 3.13Å; N1686-T1701 VanDerWaalsContact OD1-N 3.13Å; N1686-T1701 PolarHBondContact OD1-OG1 3.33Å; T1701-S1703 PolarHBondContact O-N 2.8Å
1702V48.1Very low53.2Low121 Ų121103 Ų10373%0.73354%0.544SS*.  trans-67.894.5175-176.40000109.8L1700 N1704L1700-V1702 PolarHBondContact O-N 3.18Å; L1700-V1702 VanDerWaalsContact O-N 3.16Å; V1702-N1704 PolarHBondContact O-N 2.92Å
1703S47Very low51Low90 Ų90106.8 Ų106.863%0.62957%0.571SS**  trans-68.8110.9169.463.30000109.1T1701 K1705T1701-S1703 PolarHBondContact O-N 2.8Å; S1703-K1705 PolarHBondContact O-N 3.29Å
1704N35Very low48.6Very low152 Ų152106.3 Ų106.381%0.81359%0.586SS**  trans-73.855.8178.5-86.2-33.7000111.8V1702 K1706V1702-N1704 PolarHBondContact O-N 2.92Å; N1704-K1706 PolarHBondContact O-N 3.35Å
1705K34.4Very low46.4Very low186 Ų186112 Ų11281%0.80962%0.621SS**  trans-70.178.3166.6-73.7-170.5175-175.20109.1S1703 H1707S1703-K1705 PolarHBondContact O-N 3.29Å; K1705-H1707 PolarHBondContact O-N 3.49Å
1706K27.8Very low43.7Very low182 Ų182118.1 Ų118.179%0.79165%0.647SS**  trans-59.9107.2159.5-88.9-172.9174-179.90107.2N1704 T1708N1704-K1706 PolarHBondContact O-N 3.35Å; K1706-T1708 PolarHBondContact O-N 2.73Å
1707H25.5Very low41Very low173 Ų173121 Ų12180%0.80167%0.673SS**  trans-74.466.3172.6-166.9-18.1000109.5K1705K1705-H1707 PolarHBondContact O-N 3.49Å
1708T26.2Very low38.3Very low104 Ų104123.4 Ų123.464%0.63869%0.686SS**  trans-75.1118.2159.141.90000106.9K1706 D1710K1706-T1708 PolarHBondContact O-N 2.73Å; T1708-D1710 PolarHBondContact O-N 3.34Å
1709V27.3Very low35.5Very low100 Ų100130.1 Ų130.161%0.60672%0.715SS**  trans-63.7128.4174.8174.60000108.5D1711V1709-D1711 VanDerWaalsContact C-N 3.26Å; V1709-D1711 PolarHBondContact O-N 3.41Å
1710D27.8Very low32.9Very low143 Ų143134 Ų13477%0.76573%0.734SS**  trans-75.977.7174.5-68-57.9000110.3T1708 N1712T1708-D1710 PolarHBondContact O-N 3.34Å; D1710-N1712 PolarHBondContact O-N 3.36Å; D1710-N1712 VanDerWaalsContact O-N 3.11Å
1711D30.8Very low30.5Very low147 Ų147139.9 Ų139.979%0.78675%0.752SS**  trans-69.7102.8165.7-86.9-35.8000109.3V1709 S1713V1709-D1711 VanDerWaalsContact C-N 3.26Å; V1709-D1711 PolarHBondContact O-N 3.41Å; D1711-S1713 PolarHBondContact O-N 3.4Å
1712N26.3Very low28.2Very low157 Ų157142.5 Ų142.584%0.8477%0.772SS**  trans-54.3121.6-175.8-61.3-84.4000113.2D1710D1710-N1712 PolarHBondContact O-N 3.36Å; D1710-N1712 VanDerWaalsContact O-N 3.11Å
1713S26.2Very low27Very low108 Ų108143 Ų14376%0.75578%0.776SS**  trans-160.8127.914338.40000112.6D1711D1711-S1713 PolarHBondContact O-N 3.4Å
1714S24Very low25.8Very low115 Ų115148 Ų14880%0.80479%0.789SS**  trans-62.3137.8168.243.50000110.8
1715T25.4Very low25.1Very low125 Ų125148.6 Ų148.677%0.76779%0.792SS**  trans-121.588.9164.5-57.90000108.9A1717T1715-A1717 PolarHBondContact O-N 3.35Å
1716E24.3Very low24.6Very low193 Ų193148.8 Ų148.890%0.90279%0.792SS**  trans-68.3110.2159.8-68.3-168.6134.400108.2N1718E1716-N1718 PolarHBondContact O-N 2.78Å
1717A25.4Very low24.3Very low93 Ų93147 Ų14777%0.76979%0.792SS**  trans-91.4104.9-174.500000111.1T1715T1715-A1717 PolarHBondContact O-N 3.35Å
1718N23Very low24.3Very low139 Ų139147 Ų14774%0.74379%0.792SS**  trans-132.4109.3170.5-132.1-21.2000112.3E1716E1716-N1718 PolarHBondContact O-N 2.78Å
1719Q23.3Very low24.1Very low178 Ų178148.5 Ų148.583%0.83280%0.796SS**  trans49.3117.9156.8-61.4179.949.700120
1720I20.9Very low24.1Very low162 Ų162151.3 Ų151.383%0.83181%0.808SS**  trans-95128.8171.9-58.6168.7000109.2
1721Y23.2Very low23.9Very low217 Ų217151.9 Ų151.985%0.85181%0.806SS**  trans-152.4134.9149.9-98.6-64000113.8
1722S20.9Very low23.5Very low108 Ų108151.1 Ų151.176%0.75580%0.797SS**  trans54.5126.5148.6-57.70000122.3
1723T22Very low23.4Very low132 Ų132150.4 Ų150.481%0.8180%0.799SS**  trans-83.2144.7159.551.30000112
1724E21.7Very low23.2Very low195 Ų195152.5 Ų152.591%0.91180%0.797SS**  trans-162.3163.7144.7-118.4161-153.100112.3
1725L20.8Very low23.2Very low164 Ų164154.3 Ų154.386%0.85980%0.798SS**  trans-138.6126.9-176.1-77.5168.1000110.3
1726K23.1Very low23Very low190 Ų190153.1 Ų153.183%0.82679%0.794SS**  trans164.8122139.2-92.4158.5-175.8-179.60114.1
1727D22.7Very low22.8Very low145 Ų145149 Ų14978%0.77579%0.785SS**  43.9144.9123.4-46.5-31.2000123.7
1728E24.4Very low23Very low172 Ų172153.5 Ų153.580%0.80479%0.79SS**  trans9095.1158.6-55.5-123.7141.500120.9
1729N22.8Very low23Very low136 Ų136152.3 Ų152.373%0.72779%0.788SS**  43.4125.5124.3-60.3-34.9000121.7
1730N26.7Very low23Very low159 Ų159148.1 Ų148.185%0.8578%0.784SS**  -161.6158.4117.1-108.8-60.9000113.8
1731Q23.3Very low23.1Very low154 Ų154148.5 Ų148.572%0.7279%0.786SS**  trans-60.1139171.2-100.389.913.800111.7
1732Q23.3Very low23.1Very low132 Ų132146.3 Ų146.362%0.61778%0.784SS**  80.1109.461.6-169.5-174.8-2.100113.1E1734Q1732-E1734 HydrophobicContact CG-CG 4.25Å; Q1732-E1734 PolarHBondContact NE2-OE1 2.89Å
1733T24Very low23.5Very low142 Ų142146.9 Ų146.987%0.87178%0.779SS**  trans-136.5138.6158.647.90000107.7
1734E22Very low23.6Very low152 Ų152148.1 Ų148.171%0.7177%0.773SS**  trans-103.8-156.7-166.3-56.8-178.314300111.3Q1732Q1732-E1734 HydrophobicContact CG-CG 4.25Å; Q1732-E1734 PolarHBondContact NE2-OE1 2.89Å
1735D24.7Very low23.8Very low153 Ų153143.7 Ų143.782%0.81876%0.755SS**  trans73.4141.5172.3-74-36.5000119
1736S21.5Very low24.1Very low100 Ų100143.8 Ų143.870%0.69976%0.757SS**  cis-159168.7-20.4-142.60000112.2
1737C20.2Very low24.3Very low105 Ų105137.6 Ų137.671%0.70975%0.747SS**  trans-32.7148.2-179.7-59.60000119.1
1738H27.7Very low24.3Very low189 Ų189138.3 Ų138.388%0.87575%0.751SS**  -139.8127.2117.3-107.9-65.6000113.8
1739T23.9Very low24.6Very low114 Ų114136.9 Ų136.970%0.69975%0.749SS**  trans-38.9138167.347.40000114.9
1740A23.4Very low24.7Very low89 Ų89136.4 Ų136.474%0.73675%0.746SS**  cis93.4142.222.500000117.6
1741L23.1Very low24.7Very low170 Ų170137.1 Ų137.189%0.8974%0.744SS**  trans93.1152.5155.2-75.2165.8000123
1742Q23.9Very low24.7Very low171 Ų171137.2 Ų137.280%0.79975%0.748SS**  trans73.8131.1171.3-64.4-171.7-2600116.7
1743N28.1Very low24.9Very low121 Ų121140.1 Ų140.165%0.64776%0.762SS**  cis-141.5154.72-91.2-28000109
1744K24.4Very low24.8Very low157 Ų157142 Ų14268%0.68376%0.761SS**  61133.460.2-76.5-167.8137.6-69.30112.4
1745D25.4Very low24.9Very low102 Ų102139.5 Ų139.555%0.54576%0.76SS.*  cis-151.4-174.72.3-88.1-42.4000110.1
1746D28.7Very low24.7Very low166 Ų166139.1 Ų139.189%0.88875%0.753SS**  trans71.7145.9159.5-45-46000117.6
1747G26.5Very low24.7Very low61 Ų61142.6 Ų142.663%0.62976%0.764SS**  cis177121.4-6.500000107
1748D23.7Very low24.9Very low160 Ų160142.8 Ų142.886%0.85676%0.758SS**  75.8154.7101-86-25.2000115.3
1749D29.2Very low24.6Very low142 Ų142143.1 Ų143.176%0.75976%0.76SS**  trans68.4142.2-177.4-57.3-25.9000117.7
1750N24.5Very low24.6Very low126 Ų126144.9 Ų144.967%0.67476%0.763SS**  cis-164.2169.2-25.4-103.1-36.1000109.3
1751E28.2Very low24.5Very low173 Ų173144.9 Ų144.981%0.80876%0.758SS**  trans57.2112162.2-67.9160.3-168.500116.3
1752I22.1Very low24.4Very low156 Ų156144.7 Ų144.780%0.876%0.758SS**  cis56.580.643.6-41.5179000113.6
1753E28.6Very low24.4Very low194 Ų194142.5 Ų142.591%0.90775%0.752SS**  -134.1128.1123.7-78.8-153.9137.800109.9
1754E22.1Very low24.1Very low180 Ų180140.7 Ų140.784%0.84175%0.754SS**  trans-71.8150.6159.6-59.9174.1129.800107.3
1755S22.4Very low23.9Very low101 Ų101139.7 Ų139.771%0.70677%0.765SS**  179.6145.981.8440000113.9
1756H22.3Very low23.8Very low145 Ų145139.2 Ų139.267%0.67177%0.769SS**  trans5080.5147.4-66-60.2000119.1N1758H1756-N1758 VanDerWaalsContact C-N 3.25Å; H1756-N1758 HydrophobicContact CB-CB 4.35Å; H1756-N1758 PolarHBondContact ND1-OD1 3.27Å; H1756-N1758 PolarHBondContact O-N 2.9Å
1757N21.6Very low23.4Very low173 Ų173139.7 Ų139.793%0.92577%0.77SS**  -55.898.8124.2-74.7-23.4000108.1
1758N23.7Very low23.2Very low109 Ų109146.5 Ų146.558%0.58378%0.779SS**  trans-111.4115168.2-85.1-4.9000109.3H1756 I1760H1756-N1758 VanDerWaalsContact C-N 3.25Å; H1756-N1758 HydrophobicContact CB-CB 4.35Å; H1756-N1758 PolarHBondContact ND1-OD1 3.27Å; H1756-N1758 PolarHBondContact O-N 2.9Å; N1758-I1760 PolarHBondContact O-N 3.38Å
1759E22.1Very low23.1Very low196 Ų196145.2 Ų145.292%0.91677%0.771SS**  trans-60.7128166.4-58.1165.4118.800109.1
1760I22.4Very low22.8Very low150 Ų150146.8 Ų146.877%0.76977%0.774SS**  trans-127.197.3162.9-64.7-174.2000108N1758N1758-I1760 PolarHBondContact O-N 3.38Å
1761S21.4Very low22.8Very low90 Ų90148.2 Ų148.263%0.62978%0.777SS**  trans31.1123.9151.658.30000119.6D1763S1761-D1763 PolarHBondContact O-N 2.76Å; S1761-D1763 VanDerWaalsContact O-N 3.15Å
1762N21.4Very low22.5Very low165 Ų165145.3 Ų145.388%0.88277%0.766SS**  trans-56113.4146.4-58.1-58.3000109.3
1763D23.4Very low22.4Very low125 Ų125144.1 Ų144.167%0.66877%0.768SS**  trans-161.194156.2-113.7-28.6000110.8S1761S1761-D1763 PolarHBondContact O-N 2.76Å; S1761-D1763 VanDerWaalsContact O-N 3.15Å
1764A23.2Very low22.2Very low84 Ų84143.7 Ų143.769%0.69476%0.758SS**  trans-160.565.6177.600000111.9C1766A1764-C1766 PolarHBondContact O-N 3.27Å
1765C20.3Very low22.1Very low136 Ų136142.5 Ų142.592%0.91976%0.757SS**  trans-71.473.3165.8-78.90000111L1767C1765-L1767 PolarHBondContact O-N 2.85Å
1766C22.8Very low22.2Very low92 Ų92146 Ų14662%0.62276%0.759SS**  trans-80.199.4171.7-65.90000110.4A1764 Y1768A1764-C1766 PolarHBondContact O-N 3.27Å; C1766-Y1768 HydrophobicContact CB-CD2 3.97Å; C1766-Y1768 HydrophobicContact CB-CE2 3.86Å; C1766-Y1768 PolarHBondContact O-N 2.89Å
1767L18.7Very low22.2Very low175 Ų175149 Ų14992%0.91677%0.766SS**  trans-54.5130.4154.5-78.2156.3000108.7C1765C1765-L1767 PolarHBondContact O-N 2.85Å
1768Y24.3Very low22.3Very low205 Ų205149.6 Ų149.680%0.80476%0.761SS**  trans-128.9135.9170.9-95.5-72000109.7C1766C1766-Y1768 HydrophobicContact CB-CD2 3.97Å; C1766-Y1768 HydrophobicContact CB-CE2 3.86Å; C1766-Y1768 PolarHBondContact O-N 2.89Å
1769D21.4Very low22.4Very low132 Ų132149.7 Ų149.771%0.70676%0.761SS**  trans-63.3150.2-166.9-62.1-79.9000115.5H1771D1769-H1771 PolarHBondContact O-N 3.27Å
1770E22Very low22.5Very low175 Ų175146 Ų14682%0.81875%0.754SS**  trans-66.598.6154.2-71.1-165.4158.400109.8
1771H23.9Very low22.7Very low157 Ų157144.8 Ų144.873%0.72775%0.748SS**  trans-117.2104.3175.3-107.6-12.6000113.8D1769D1769-H1771 PolarHBondContact O-N 3.27Å
1772I22.4Very low23Very low112 Ų112149.4 Ų149.457%0.57476%0.757SS**  trans75.197153-45.4172.7000116R1774I1772-R1774 HydrophobicContact CG2-CG 3.75Å; I1772-R1774 PolarHBondContact O-N 2.85Å
1773P20.4Very low23.2Very low130 Ų130151.5 Ų151.584%0.84475%0.752SS**  trans-69.999.4161.829.9-33.2000110.2
1774R23.1Very low23.4Very low185 Ų185150.2 Ų150.270%0.69875%0.749SS**  trans-83.7121.3173.5-73.4-168172.6173.6-1.6111.3I1772 F1776I1772-R1774 HydrophobicContact CG2-CG 3.75Å; I1772-R1774 PolarHBondContact O-N 2.85Å; R1774-F1776 HydrophobicContact CB-CD2 4.02Å; R1774-F1776 HydrophobicContact CB-CE2 4.14Å; R1774-F1776 PolarHBondContact O-N 3.17Å; R1774-F1776 VanDerWaalsContact O-N 3.14Å
1775L20Very low23.5Very low156 Ų156149 Ų14982%0.81774%0.74SS**  trans-55.7115.8162.6-83.371000109.8
1776F25Very low23.9Very low173 Ų173147.2 Ų147.276%0.75972%0.724SS**  trans-136.793.8162.9-86.9-68.3000110.8R1774 F1778R1774-F1776 HydrophobicContact CB-CD2 4.02Å; R1774-F1776 HydrophobicContact CB-CE2 4.14Å; R1774-F1776 PolarHBondContact O-N 3.17Å; R1774-F1776 VanDerWaalsContact O-N 3.14Å; F1776-F1778 PolarHBondContact O-N 3.16Å
1777Y22Very low24.1Very low210 Ų210150.3 Ų150.382%0.82473%0.729SS**  trans-57.9125.9147.5-81-106.4000108.2
1778F25.1Very low24.4Very low184 Ų184149.2 Ų149.281%0.80772%0.724SS**  175.2124.2129.3-108-77.1000113.6F1776F1776-F1778 PolarHBondContact O-N 3.16Å
1779N26.2Very low24.6Very low111 Ų111145.6 Ų145.659%0.59472%0.717SS**  trans43.694.6155-71.1-12.1000120.5I1781N1779-I1781 PolarHBondContact O-N 3Å
1780P23.9Very low24.9Very low118 Ų118148 Ų14877%0.76672%0.724SS**G310 helixtrans-75.66.1172.331.8-35.8000115.9K1782 R1783P1780-K1782 PolarHBondContact O-N 2.83Å; P1780-R1783 PolarHBondContact O-N 2.96Å
1781I26.7Very low25.2Very low125 Ų125145.9 Ų145.964%0.64171%0.714SS**G310 helixtrans-57.9-17.7-175.3-68.3170.7000113.9N1779N1779-I1781 PolarHBondContact O-N 3Å
1782K27.1Very low25.4Very low187 Ų187145.6 Ų145.681%0.81371%0.712SS**G310 helixtrans-95.63-172.8-82-167171.5-172.90117.2P1780P1780-K1782 PolarHBondContact O-N 2.83Å
1783R26.2Very low25.9Very low209 Ų209146.6 Ų146.679%0.78972%0.715SS**THydrogen-bonded Turntrans-105.9-46178.1-140.1170.9-171.9159.11.5113.9P1780 A1785 V1786P1780-R1783 PolarHBondContact O-N 2.96Å; R1783-A1785 PolarHBondContact O-N 3.37Å; R1783-A1785 VanDerWaalsContact O-N 3.16Å; R1783-V1786 PolarHBondContact O-N 2.95Å; R1783-V1786 VanDerWaalsContact O-N 3.1Å
1784T26.4Very low26.2Very low98 Ų98149.1 Ų149.160%0.60171%0.709SS**Hα-helixtrans-61.1-21.1170.540.20000113.5V1786T1784-V1786 PolarHBondContact O-N 3.13Å
1785A25.5Very low26.5Very low60 Ų60144.7 Ų144.750%0.49670%0.699SS.*Hα-helixtrans-70.2-3173.700000115R1783 I1789R1783-A1785 PolarHBondContact O-N 3.37Å; R1783-A1785 VanDerWaalsContact O-N 3.16Å; A1785-I1789 VanDerWaalsContact O-CD1 3.23Å; A1785-I1789 WeakPolarHBondContact O-CD1 3.07Å
1786V28.7Very low26.9Very low98 Ų98141.8 Ų141.859%0.59469%0.691SS**Hα-helixtrans-106.8-39.9-179.2-178.60000112.2R1783 T1784R1783-V1786 PolarHBondContact O-N 2.95Å; R1783-V1786 VanDerWaalsContact O-N 3.1Å; T1784-V1786 PolarHBondContact O-N 3.13Å
1787E27Very low27Very low156 Ų156139.4 Ų139.473%0.72969%0.685SS**Hα-helixtrans-80.8-18.6-171.6-70.3169.2170.600113.6I1789E1787-I1789 VanDerWaalsContact C-N 3.34Å; E1787-I1789 PolarHBondContact O-N 2.92Å
1788L25.8Very low27.1Very low152 Ų152136.3 Ų136.380%0.79668%0.682SS**THydrogen-bonded Turntrans-86.89.1175.6-76169000114.7
1789I27.2Very low27.2Very low130 Ų130135.6 Ų135.667%0.66768%0.681SS**THydrogen-bonded Turntrans-89.5-8.2-175.9-69.2-177.8000113.5A1785 E1787 H1791A1785-I1789 VanDerWaalsContact O-CD1 3.23Å; A1785-I1789 WeakPolarHBondContact O-CD1 3.07Å; E1787-I1789 VanDerWaalsContact C-N 3.34Å; E1787-I1789 PolarHBondContact O-N 2.92Å; I1789-H1791 VanDerWaalsContact C-N 3.29Å; I1789-H1791 PolarHBondContact O-N 2.92Å
1790H27.7Very low27.2Very low182 Ų182141 Ų14184%0.84369%0.693SS**  trans-78.270174.1-83.2-74.5000113.1
1791H29.2Very low27.1Very low131 Ų131138.9 Ų138.961%0.60669%0.685SS**  trans-141.277.3170.5-140.2-99.5000112.4I1789 E1793I1789-H1791 VanDerWaalsContact C-N 3.29Å; I1789-H1791 PolarHBondContact O-N 2.92Å; H1791-E1793 IonicContact CE1-OE2 3.21Å; H1791-E1793 PolarHBondContact CE1-OE2 3.35Å; H1791-E1793 IonicContact ND1-OE2 3.62Å; H1791-E1793 PolarHBondContact O-N 3.3Å; H1791-E1793 VanDerWaalsContact O-N 3.13Å
1792E28.9Very low27Very low150 Ų150141.2 Ų141.270%0.70169%0.693SS**THydrogen-bonded Turntrans-7817.9-176.8-79.4-152112.800115.6Y1794 N1795E1792-Y1794 PolarHBondContact O-N 3.36Å; E1792-N1795 VanDerWaalsContact CD-ND2 3.29Å; E1792-N1795 WeakPolarHBondContact O-CB 3.35Å; E1792-N1795 PolarHBondContact O-N 2.92Å; E1792-N1795 PolarHBondContact OE1-ND2 2.99Å
1793E32.2Very low26.8Very low133 Ų133138.5 Ų138.562%0.62169%0.688SS**THydrogen-bonded Turntrans-57.1-19.3167-68.7-163.413900112.9H1791 N1795 C1796H1791-E1793 IonicContact CE1-OE2 3.21Å; H1791-E1793 PolarHBondContact CE1-OE2 3.35Å; H1791-E1793 IonicContact ND1-OE2 3.62Å; H1791-E1793 PolarHBondContact O-N 3.3Å; H1791-E1793 VanDerWaalsContact O-N 3.13Å; E1793-N1795 PolarHBondContact O-N 2.84Å; E1793-C1796 WeakPolarHBondContact O-CB 3.46Å; E1793-C1796 PolarHBondContact O-N 2.93Å
1794Y27.2Very low26.5Very low184 Ų184135.1 Ų135.172%0.72268%0.684SS**Hα-helixtrans-52.8-31.7169.7-163.4-98.7000113.1E1792 C1796E1792-Y1794 PolarHBondContact O-N 3.36Å; Y1794-C1796 VanDerWaalsContact C-N 3.32Å; Y1794-C1796 PolarHBondContact O-N 2.95Å
1795N28.8Very low26.2Very low92 Ų92139.1 Ų139.149%0.49270%0.696SS.*Hα-helixtrans-71.5-23.4176.9-71.1-39.8000113.2E1792 E1793E1792-N1795 VanDerWaalsContact CD-ND2 3.29Å; E1792-N1795 WeakPolarHBondContact O-CB 3.35Å; E1792-N1795 PolarHBondContact O-N 2.92Å; E1792-N1795 PolarHBondContact OE1-ND2 2.99Å; E1793-N1795 PolarHBondContact O-N 2.84Å
1796C29.4Very low26Very low95 Ų95142.4 Ų142.464%0.64271%0.71SS**Hα-helixtrans-80.2-32.4178.4-68.40000112.9E1793 Y1794 L1798 Q1799E1793-C1796 WeakPolarHBondContact O-CB 3.46Å; E1793-C1796 PolarHBondContact O-N 2.93Å; Y1794-C1796 VanDerWaalsContact C-N 3.32Å; Y1794-C1796 PolarHBondContact O-N 2.95Å; C1796-L1798 VanDerWaalsContact C-N 3.25Å; C1796-L1798 PolarHBondContact O-N 3.35Å; C1796-Q1799 PolarHBondContact O-N 2.99Å
1797L26.6Very low26Very low122 Ų122142.9 Ų142.964%0.63972%0.715SS**Hα-helixtrans-65.9-26.4-179.2-80.3167.6000113.2Q1799 R1800L1797-Q1799 VanDerWaalsContact C-N 3.31Å; L1797-Q1799 PolarHBondContact O-N 2.89Å; L1797-R1800 PolarHBondContact O-N 2.87Å
1798L22.8Very low25.6Very low146 Ų146145.6 Ų145.676%0.76472%0.718SS**THydrogen-bonded Turntrans-72.4-19.4179.2-139.877000114.1C1796C1796-L1798 VanDerWaalsContact C-N 3.25Å; C1796-L1798 PolarHBondContact O-N 3.35Å
1799Q28Very low25.7Very low169 Ų169145.7 Ų145.779%0.7971%0.714SS**THydrogen-bonded Turntrans-86-8.7178.9-73.4-166.6-6.100114.3C1796 L1797 A1801C1796-Q1799 PolarHBondContact O-N 2.99Å; L1797-Q1799 VanDerWaalsContact C-N 3.31Å; L1797-Q1799 PolarHBondContact O-N 2.89Å; Q1799-A1801 PolarHBondContact O-N 2.89Å
1800R25.7Very low25.5Very low225 Ų225147.4 Ų147.485%0.84972%0.719SS**THydrogen-bonded Turntrans-74.919-172.8-150.4169.2-175.51511.2114.8L1797L1797-R1800 PolarHBondContact O-N 2.87Å
1801A21.4Very low25.3Very low72 Ų72146 Ų14660%0.59572%0.716SS**THydrogen-bonded Turntrans-100.5-4.3-172.800000115.5Q1799Q1799-A1801 PolarHBondContact O-N 2.89Å
1802H25.5Very low25Very low175 Ų175145 Ų14581%0.8172%0.724SS**  trans-120.682.8-173.3-78-70.4000115.5
1803N22.4Very low25.1Very low130 Ų130147.9 Ų147.970%0.69573%0.734SS**  trans34.5121.3135.7-71.9-20000122.9
1804I20.3Very low24.8Very low138 Ų138148.4 Ų148.471%0.70874%0.741SS**  61.1115.3124.2-53163.3000118.7
1805Q20.9Very low24.9Very low182 Ų182145.7 Ų145.785%0.8574%0.743SS**  -177.2-176.796.7-153.4138.53.900112.3
1806T21.2Very low24.8Very low129 Ų129147.7 Ų147.779%0.79175%0.752SS**  trans-127.8-159-164.758.70000113.2
1807P26.8Very low24.7Very low107 Ų107151.7 Ų151.770%0.69576%0.762SS**  -125.2176.7-113.838.8-19.5000116.7
1808R20.5Very low24.8Very low213 Ų213155 Ų15580%0.80477%0.774SS**  trans154.2169140.7-87.8165.7173.2175.3-0.8116.8
1809H27.4Very low25Very low154 Ų154156.7 Ų156.771%0.71378%0.775SS**  trans81.3149.2159.3-53.2-51.4000117.9
1810H23.5Very low24.7Very low167 Ų167155.8 Ų155.877%0.77378%0.775SS**  cis-154.6175.1-24.6-121.9-50.7000111.3
1811I21.5Very low24.5Very low152 Ų152152.6 Ų152.678%0.77977%0.771SS**  trans-96.1152.2-176.3-62.4159.7000111.1
1812S24Very low24.5Very low110 Ų110159.5 Ų159.577%0.76978%0.784SS**  trans122.4117143.972.80000117.9
1813K30.5Very low24.3Very low211 Ų211160.1 Ų160.192%0.91779%0.789SS**  -166136.8124.6-109.8171.9-178.2177.80110.9
1814L25.4Very low24.4Very low144 Ų144160.8 Ų160.875%0.75479%0.793SS**  trans-140.9142.1176.3-127.1152.2000106.4
1815T29.9Very low24.5Very low126 Ų126159.4 Ų159.477%0.77379%0.793SS**  trans-119.1156.6171.137.70000109.5
1816I27.9Very low24.6Very low134 Ų134159.2 Ų159.269%0.68779%0.789SS**SBendtrans-109.3-16.1-152.4-73.6172.1000113.8E1818I1816-E1818 PolarHBondContact O-N 2.83Å
1817E26.9Very low24.5Very low179 Ų179159.9 Ų159.984%0.83679%0.788SS**G310 helixtrans-80.6-21.4-164.8-60.4-174.5139.700114.5K1819E1817-K1819 PolarHBondContact O-N 3.12Å
1818E28.3Very low24.3Very low191 Ų191163 Ų16389%0.89379%0.793SS**G310 helixtrans-78-2.7178.1-63.4-177.8145.200113.8I1816I1816-E1818 PolarHBondContact O-N 2.83Å
1819K26.2Very low24.3Very low182 Ų182158.7 Ų158.779%0.79179%0.786SS**G310 helixtrans-93.69.7178.4-80.2-168.5172.1-174.80115.1E1817E1817-K1819 PolarHBondContact O-N 3.12Å
1820L22.1Very low24.1Very low150 Ų150157.3 Ų157.379%0.78579%0.789SS**  trans-124.418.9-168.4-100.6166.8000116.4
1821M21.6Very low24Very low158 Ų158152.5 Ų152.578%0.77877%0.774SS**SBendtrans-109.7126.4171.7-76.4-80.2-17700111.3
1822Y21.4Very low24.1Very low218 Ų218150.3 Ų150.386%0.85577%0.767SS**  trans7284.6170.6-64-75.2000120.3
1823M20.8Very low24.1Very low188 Ų188150 Ų15093%0.92677%0.765SS**  trans-136.895.3148.7-93.3-72.1-171.100109.9
1824N24.8Very low23.7Very low143 Ų143147.1 Ų147.177%0.76576%0.76SS**  trans-173.3135.9159.8-128.4-37.6000114.5
1825P23.1Very low23.6Very low109 Ų109145.1 Ų145.171%0.70876%0.758SS**  trans-116.1156.5167.438.6-30.3000114
1826K22Very low23.2Very low178 Ų178143.5 Ų143.577%0.77476%0.758SS**  trans-179122.1156.8-101.9142.8-166.8164.20117.9
1827N20.7Very low22.9Very low143 Ų143146 Ų14677%0.76576%0.764SS**  52.2153126.5-56.84.4000125.9
1828Q22.5Very low22.6Very low172 Ų172148.1 Ų148.180%0.80477%0.766SS**  trans92.5146.9158.5-52.4-16357.400118.4
1829N20.1Very low22.4Very low124 Ų124144.6 Ų144.666%0.66375%0.749SS**  cis-171.5163.4-22.2-99-25.7000111.6
1830T23.1Very low22.3Very low125 Ų125142.3 Ų142.377%0.76775%0.746SS**  trans76.8158.6164.3750000120
1831S21.9Very low22.4Very low66 Ų66143 Ų14346%0.46275%0.748SS.*  cis178169-27.664.70000115.2Q2245S1831-Q2245 PolarHBondContact O-NE2 2.83Å; S1831-Q2245 PolarHBondContact O-OE1 2.9Å
1832T23.6Very low22.4Very low105 Ų105145.1 Ų145.164%0.64475%0.748SS**  trans102.7123.4158.866.70000122.7
1833S23.7Very low22.5Very low103 Ų103143.7 Ų143.772%0.7275%0.746SS**  trans36.7160.5140.160.70000123.6
1834D22.8Very low22.5Very low152 Ų152143 Ų14381%0.81375%0.745SS**  cis-150.4-161.413-148-33.5000113.3
1835S21.7Very low22.4Very low101 Ų101139.8 Ų139.871%0.70675%0.746SS**  trans-130.6161.4-152.262.10000118.9
1836A22.5Very low22.4Very low93 Ų93143.5 Ų143.577%0.76975%0.753SS**  trans56.5114.6148.600000122.8
1837F21Very low22.5Very low185 Ų185145.5 Ų145.581%0.81176%0.762SS**  -151118.9128.5-146.7-92.9000111.8
1838Y20.6Very low22.6Very low224 Ų224143.9 Ų143.988%0.87877%0.769SS**  trans-133.6160.9171.8-130-87.6000108.3
1839E24.4Very low22.8Very low117 Ų117139 Ų13955%0.54777%0.765SS.*  trans61.186.4-180-59.5-145.1131.600117.7R1842E1839-R1842 WeakPolarHBondContact OE1-CD 3.31Å; E1839-R1842 IonicContact OE1-CZ 2.78Å; E1839-R1842 IonicContact OE1-NE 2.74Å; E1839-R1842 IonicContact OE1-NH1 3.19Å; E1839-R1842 PolarHBondContact OE1-NH1 2.89Å
1840D24.7Very low23.3Very low134 Ų134141.2 Ų141.272%0.71777%0.769SS**SBendtrans-14919.1142.9-139.11.9000116.5
1841I23.6Very low23.5Very low165 Ų165138.8 Ų138.885%0.84677%0.768SS**SBendtrans-121.317.7172.1-42.7-175.8000111.3K1843I1841-K1843 VanDerWaalsContact C-N 3.27Å; I1841-K1843 PolarHBondContact O-N 2.93Å
1842R22.3Very low23.9Very low203 Ų203141 Ų14177%0.76677%0.774SS**SBendtrans-84.48.7177.5-154.4177.3-179.5173.12.3113.9E1839E1839-R1842 WeakPolarHBondContact OE1-CD 3.31Å; E1839-R1842 IonicContact OE1-CZ 2.78Å; E1839-R1842 IonicContact OE1-NE 2.74Å; E1839-R1842 IonicContact OE1-NH1 3.19Å; E1839-R1842 PolarHBondContact OE1-NH1 2.89Å
1843K23.2Very low24.3Very low188 Ų188143.1 Ų143.182%0.81778%0.781SS**SBendtrans-130.335.3-169.6-70178.8-178.9161.90114.9I1841I1841-K1843 VanDerWaalsContact C-N 3.27Å; I1841-K1843 PolarHBondContact O-N 2.93Å
1844L21.1Very low25Very low173 Ų173144 Ų14491%0.90678%0.777SS**SBendtrans-134.337.5172.2-152.773.6000113.1
1845G22.6Very low25.9Very low75 Ų75143 Ų14377%0.77377%0.77SS**SBendtrans-132.61.7-173.700000116.8
1846E23.2Very low26.7Very low187 Ų187141.8 Ų141.887%0.87475%0.754SS**  trans-12696.2-173.4-67.8-173.6167.600113
1847K24.2Very low28Very low220 Ų220138.2 Ų138.296%0.95772%0.723SS**  trans174.166.3142.6-95.6161.2-176.5174.50113.1
1848A23Very low29.5Very low109 Ų109132.7 Ų132.790%0.90171%0.707SS**  trans-160.1157.1158.200000107.4
1849G25.5Very low30.6Very low70 Ų70127.4 Ų127.472%0.72269%0.694SS**  cis-174-175.5-4.200000109.4
1850K31.5Very low31.8Very low171 Ų171127.6 Ų127.674%0.74370%0.695SS**  trans-146.1149.7171.1-77.5-151.9171-148.80112.8E1885K1850-E1885 IonicContact NZ-OE1 3.06Å; K1850-E1885 PolarHBondContact NZ-OE1 2.9Å; K1850-E1885 IonicContact NZ-OE2 3.06Å; K1850-E1885 PolarHBondContact NZ-OE2 3.2Å
1851G26.1Very low33.2Very low73 Ų73127.5 Ų127.575%0.75369%0.685SS**  trans-178.6131.8168.400000114
1852L31Very low34.5Very low113 Ų113121.3 Ų121.359%0.59265%0.654SS**  trans61.2104.5167.8-71.8165.6000119.9W1935L1852-W1935 HydrophobicContact CD1-CZ2 3.67Å; L1852-W1935 VanDerWaalsContact CD2-NE1 3.3Å
1853D31.7Very low35.4Very low149 Ų149114.7 Ų114.780%0.79765%0.648SS**  trans-97.6149.7157.1-64-69.7000110.5
1854I38.3Very low36.2Very low123 Ų123110.4 Ų110.463%0.63163%0.634SS**  trans-131.4113.8174.6-58.8178000108.7
1855I41.9Very low36.9Very low129 Ų129109.4 Ų109.466%0.66262%0.623SS**  trans-103.1106.9-168.3-57.8169.6000110.5Y1927 R1931I1855-Y1927 PolarHBondContact O-OH 2.62Å; I1855-R1931 VanDerWaalsContact C-NH1 3.27Å; I1855-R1931 PolarHBondContact O-NH1 2.63Å; I1855-R1931 PolarHBondContact O-NH2 3Å
1856M38.6Very low37.4Very low76 Ų76113.6 Ų113.637%0.37463%0.626SS.*PPolyproline II helixtrans-52158.9-175.3-103.5-167.26300115.2H1893 Y1924M1856-H1893 VanDerWaalsContact CE-CE1 3.47Å; M1856-H1893 WeakPolarHBondContact CE-CE1 3.42Å; M1856-H1893 PolarHBondContact SD-CE1 3.04Å; M1856-Y1924 HydrophobicContact CE-CD2 4.41Å; M1856-Y1924 HydrophobicContact CE-CE2 3.83Å; M1856-Y1924 HydrophobicContact SD-CE2 4.23Å
1857P49.4Very low37.5Very low19 Ų19110.7 Ų110.712%0.12362%0.624CS.*PPolyproline II helixtrans-65.5152.8-179.227.4-28.4000110.9Y1861 Y1927P1857-Y1861 HydrophobicContact CB-CD1 4.2Å; P1857-Y1861 HydrophobicContact CB-CG 4.34Å; P1857-Y1927 HydrophobicContact CB-CD1 4.27Å; P1857-Y1927 HydrophobicContact CB-CD2 3.87Å; P1857-Y1927 HydrophobicContact CB-CE1 4.09Å; P1857-Y1927 HydrophobicContact CB-CE2 3.65Å; P1857-Y1927 HydrophobicContact CB-CG 4.16Å; P1857-Y1927 VanDerWaalsContact CD-CE1 3.41Å; P1857-Y1927 HydrophobicContact CG-CD1 3.78Å; P1857-Y1927 HydrophobicContact CG-CD2 4.2Å; P1857-Y1927 HydrophobicContact CG-CE1 3.84Å; P1857-Y1927 HydrophobicContact CG-CE2 4.24Å; P1857-Y1927 HydrophobicContact CG-CG 3.96Å
1858S53.2Low37.6Very low68 Ų68109 Ų10948%0.47662%0.619SS.*PPolyproline II helixtrans-67.2152.7170.857.50000110.8E1860 Y1861 L1862S1858-E1860 PolarHBondContact O-N 2.92Å; S1858-Y1861 WeakPolarHBondContact O-CB 3.44Å; S1858-Y1861 PolarHBondContact O-N 2.87Å; S1858-Y1861 PolarHBondContact OG-N 3.13Å; S1858-L1862 PolarHBondContact O-N 2.93Å
1859L43.7Very low37.5Very low113 Ų113109.9 Ų109.959%0.59261%0.614SS**THydrogen-bonded Turntrans-59-27.3172.1-77.9142.7000112.1Y1861 L1862 G1863 L1864L1859-Y1861 PolarHBondContact O-N 2.86Å; L1859-L1862 CarbonylContact O-C 3.57Å; L1859-L1862 VanDerWaalsContact O-C 3.31Å; L1859-L1862 WeakPolarHBondContact O-CA 3.39Å; L1859-L1862 PolarHBondContact O-N 3.37Å; L1859-L1862 VanDerWaalsContact O-N 3.09Å; L1859-G1863 PolarHBondContact O-N 3.09Å; L1859-G1863 VanDerWaalsContact O-N 3.1Å; L1859-L1864 CarbonylContact C-O 3.59Å; L1859-L1864 HydrophobicContact CB-CB 4.22Å; L1859-L1864 WeakPolarHBondContact CB-O 3.27Å; L1859-L1864 HydrophobicContact CD2-CB 3.98Å; L1859-L1864 HydrophobicContact CD2-CD1 3.84Å; L1859-L1864 PolarHBondContact O-N 3.06Å
1860E49Very low37.4Very low122 Ų122113 Ų11357%0.5761%0.614SS**THydrogen-bonded Turntrans-61.8-36.6170.6-69.2-170.8123.800113.2S1858 L1862 G1863 K1865S1858-E1860 PolarHBondContact O-N 2.92Å; E1860-L1862 PolarHBondContact O-N 2.95Å; E1860-G1863 PolarHBondContact O-N 3.39Å; E1860-K1865 IonicContact OE1-NZ 2.71Å; E1860-K1865 PolarHBondContact OE1-NZ 3.45Å
1861Y54.7Low37Very low131 Ų131110.4 Ų110.451%0.51461%0.612SS.*THydrogen-bonded Turntrans-67.6-28.2173.8-171.5-84.8000111.7P1857 S1858 L1859 G1863 Y1927P1857-Y1861 HydrophobicContact CB-CD1 4.2Å; P1857-Y1861 HydrophobicContact CB-CG 4.34Å; S1858-Y1861 WeakPolarHBondContact O-CB 3.44Å; S1858-Y1861 PolarHBondContact O-N 2.87Å; S1858-Y1861 PolarHBondContact OG-N 3.13Å; L1859-Y1861 PolarHBondContact O-N 2.86Å; Y1861-G1863 VanDerWaalsContact C-N 3.28Å; Y1861-Y1927 HydrophobicContact CD1-CD2 4.22Å; Y1861-Y1927 AromaticContact CE1-CD2 3.91Å; Y1861-Y1927 HydrophobicContact CE1-CD2 3.91Å; Y1861-Y1927 HydrophobicContact CE1-CG 4.48Å
1862L49.9Very low36.9Very low35 Ų35112.6 Ų112.618%0.18361%0.611CS.*THydrogen-bonded Turntrans-87.18.5172.1-62.1176000113S1858 L1859 E1860 L1864 A1923S1858-L1862 PolarHBondContact O-N 2.93Å; L1859-L1862 CarbonylContact O-C 3.57Å; L1859-L1862 VanDerWaalsContact O-C 3.31Å; L1859-L1862 WeakPolarHBondContact O-CA 3.39Å; L1859-L1862 PolarHBondContact O-N 3.37Å; L1859-L1862 VanDerWaalsContact O-N 3.09Å; E1860-L1862 PolarHBondContact O-N 2.95Å; L1862-L1864 VanDerWaalsContact C-N 3.28Å; L1862-L1864 PolarHBondContact O-N 2.79Å; L1862-A1923 HydrophobicContact CD2-CB 4.11Å
1863G41.5Very low36.5Very low64 Ų64113.9 Ų113.966%0.6662%0.617SS**THydrogen-bonded Turntrans75.15.7178.300000115.9L1859 E1860 Y1861L1859-G1863 PolarHBondContact O-N 3.09Å; L1859-G1863 VanDerWaalsContact O-N 3.1Å; E1860-G1863 PolarHBondContact O-N 3.39Å; Y1861-G1863 VanDerWaalsContact C-N 3.28Å
1864L41.3Very low36Very low99 Ų99113.8 Ų113.852%0.51862%0.616SS.*  trans-99.194.3-171.6-67.5171000111.4L1859 L1862L1859-L1864 CarbonylContact C-O 3.59Å; L1859-L1864 HydrophobicContact CB-CB 4.22Å; L1859-L1864 WeakPolarHBondContact CB-O 3.27Å; L1859-L1864 HydrophobicContact CD2-CB 3.98Å; L1859-L1864 HydrophobicContact CD2-CD1 3.84Å; L1859-L1864 PolarHBondContact O-N 3.06Å; L1862-L1864 VanDerWaalsContact C-N 3.28Å; L1862-L1864 PolarHBondContact O-N 2.79Å
1865K34.6Very low35.3Very low152 Ų152112.6 Ų112.666%0.66162%0.616SS**  trans-117.8118.5-179.9-171.7169.7-169.7136.80111.9E1860E1860-K1865 IonicContact OE1-NZ 2.71Å; E1860-K1865 PolarHBondContact OE1-NZ 3.45Å
1866L32.7Very low34.3Very low162 Ų162111.7 Ų111.785%0.84862%0.617SS**  trans-116.4148.1163.5-10175.4000109.8
1867P26.4Very low33.6Very low127 Ų127114.7 Ų114.783%0.82563%0.63SS**  trans-81.3164.4-171.432.6-36000114.9
1868E25.3Very low32.3Very low184 Ų184121.4 Ų121.486%0.8666%0.657SS**  trans-88153.7-171.3-52.7169.7127.800113.7
1869T22Very low30.8Very low128 Ų128123 Ų12379%0.78567%0.668SS**  trans157.6152.915235.30000108.5
1870N22.9Very low29.9Very low135 Ų135127.1 Ų127.172%0.72268%0.682SS**  cis-160.7144-7.7-117.8-21.2000110.1
1871V22.1Very low28.6Very low116 Ų116125.9 Ų125.970%0.70369%0.686SS**  trans61.5133.3147-167.10000116.7
1872T24.3Very low27Very low119 Ų119126.4 Ų126.473%0.7370%0.696SS**  -174.4125.866.2-34.90000113.7
1873L23.4Very low25.9Very low140 Ų140132.4 Ų132.473%0.73372%0.721SS**  trans24.2125.2141.7-53.4172000125.2
1874L21.2Very low25Very low147 Ų147139.9 Ų139.977%0.7773%0.729SS**  73.9165.5123.2-64.4179.7000121.8
1875P23.2Very low24.1Very low98 Ų98141.6 Ų141.664%0.63674%0.735SS**  cis-153.1170.4-4646.4-29.4000119.8
1876V22Very low23.6Very low111 Ų111140.5 Ų140.567%0.67374%0.736SS**  trans63.2162.4156-1450000120.8
1877Q22.9Very low23.2Very low139 Ų139141.4 Ų141.465%0.6574%0.736SS**  trans87.2137.6162.7-37.3-67.9-30.100116.2
1878K21.3Very low23.1Very low160 Ų160145.5 Ų145.570%0.69674%0.741SS**  cis-167.6160-36-122.7176.7-151.5152.70109.1
1879S23.1Very low23Very low101 Ų101145.6 Ų145.671%0.70674%0.739SS**  trans55.7134.3155.460.40000121.5
1880K23.4Very low23.1Very low200 Ų200145.8 Ų145.887%0.8774%0.735SS**SBendtrans57.8102.5156.6-60.7176.1-177178.60117.4
1881S21.6Very low23.3Very low96 Ų96142.4 Ų142.467%0.67173%0.732SS**  cis-161.1121.2-9.4-117.80000111.6
1882I23Very low23.5Very low141 Ų141145.5 Ų145.572%0.72373%0.732SS**  trans62128.4134.5-57.6172000118.7
1883K25.3Very low23.6Very low162 Ų162144.2 Ų144.270%0.70472%0.718SS**  cis-169.2120.2-15.4-104.7179.4-166169.40105.7
1884R22.7Very low23.8Very low221 Ų221145 Ų14583%0.83472%0.718SS**  trans65.9161.5167.7-50.5169.6178165.9-4.9112.5
1885E23.3Very low24.1Very low134 Ų134140 Ų14063%0.62670%0.697SS**  cis-119.4133.69.5-69.7165.6158.900111.7K1850K1850-E1885 IonicContact NZ-OE1 3.06Å; K1850-E1885 PolarHBondContact NZ-OE1 2.9Å; K1850-E1885 IonicContact NZ-OE2 3.06Å; K1850-E1885 PolarHBondContact NZ-OE2 3.2Å
1886N24.2Very low24.3Very low129 Ų129141.4 Ų141.469%0.6969%0.694SS**  trans37.3103.3141.3-48.3-6.3000117.5
1887Q23.6Very low24.6Very low181 Ų181142.8 Ų142.885%0.84669%0.692SS**  63.4122.794.9-78.7-178.2-50.700115.7F1889Q1887-F1889 PolarHBondContact O-N 3.38Å
1888K24.1Very low25Very low214 Ų214138 Ų13893%0.9368%0.676SS**  trans-67.588.1171.4-69.4-179.5175.8-179.30111.1
1889F22.6Very low25.4Very low185 Ų185133.8 Ų133.881%0.81166%0.661SS**  trans-113.555.7164.9-141.2-78.8000111.6Q1887Q1887-F1889 PolarHBondContact O-N 3.38Å
1890N26.2Very low25.9Very low132 Ų132131 Ų13171%0.70664%0.64SS**  trans-141.29.9168.4-111.3-25.6000113.1Y1892N1890-Y1892 PolarHBondContact O-N 3.25Å
1891G26.9Very low26.2Very low64 Ų64130.1 Ų130.166%0.6663%0.631SS**THydrogen-bonded Turntrans-72.1-5.1178.100000115
1892Y24.5Very low26.7Very low182 Ų182130.2 Ų130.271%0.71462%0.621SS**THydrogen-bonded Turntrans-103.8-12.8-175.5-92.5-78.9000115.4N1890 F1896N1890-Y1892 PolarHBondContact O-N 3.25Å; Y1892-F1896 PolarHBondContact O-N 3.45Å
1893H26.5Very low27Very low92 Ų92129.1 Ų129.143%0.42661%0.611SS.*Hα-helixtrans-86.1-32.1-177.5-77.8-61.8000114.8M1856 A1895 F1896 H1897M1856-H1893 VanDerWaalsContact CE-CE1 3.47Å; M1856-H1893 WeakPolarHBondContact CE-CE1 3.42Å; M1856-H1893 PolarHBondContact SD-CE1 3.04Å; H1893-A1895 VanDerWaalsContact C-N 3.34Å; H1893-F1896 PolarHBondContact O-N 3.11Å; H1893-H1897 PolarHBondContact O-N 2.89Å
1894Q28.7Very low27.4Very low157 Ų157126.8 Ų126.873%0.73461%0.611SS**Hα-helixtrans-77.5-23.6171.5-132.1167.3-3.600112.2A1898Q1894-A1898 WeakPolarHBondContact O-CB 3.36Å; Q1894-A1898 PolarHBondContact O-N 2.64Å
1895A28.1Very low27.8Very low40 Ų40122.4 Ų122.433%0.33160%0.6SS.*Hα-helixtrans-62.2-45.1165.800000111.4H1893 A1898 N1899H1893-A1895 VanDerWaalsContact C-N 3.34Å; A1895-A1898 PolarHBondContact O-N 2.8Å; A1895-N1899 WeakPolarHBondContact O-CB 3.47Å; A1895-N1899 PolarHBondContact O-N 2.88Å; A1895-N1899 PolarHBondContact O-OD1 3.39Å
1896F26.7Very low28.1Very low129 Ų129123.2 Ų123.257%0.56660%0.601SS**Hα-helixtrans-72.8-36.6179.4-131.6-83.8000113.7Y1892 H1893 A1898 N1899 V1900Y1892-F1896 PolarHBondContact O-N 3.45Å; H1893-F1896 PolarHBondContact O-N 3.11Å; F1896-A1898 VanDerWaalsContact C-N 3.31Å; F1896-A1898 PolarHBondContact O-N 3.19Å; F1896-N1899 PolarHBondContact O-N 2.9Å; F1896-V1900 WeakPolarHBondContact O-CG2 3.34Å; F1896-V1900 PolarHBondContact O-N 3.22Å
1897H28.2Very low28.4Very low139 Ų139122.3 Ų122.364%0.64460%0.603SS**Hα-helixtrans-71.3-25.8173.8-119.1-56.8000113.4H1893H1893-H1897 PolarHBondContact O-N 2.89Å
1898A31.6Very low28.9Very low38 Ų38120.7 Ų120.731%0.31461%0.605SS.*Hα-helixtrans-68.7-45.416500000111Q1894 A1895 F1896 V1900 R1901 H1902Q1894-A1898 WeakPolarHBondContact O-CB 3.36Å; Q1894-A1898 PolarHBondContact O-N 2.64Å; A1895-A1898 PolarHBondContact O-N 2.8Å; F1896-A1898 VanDerWaalsContact C-N 3.31Å; F1896-A1898 PolarHBondContact O-N 3.19Å; A1898-V1900 VanDerWaalsContact C-N 3.33Å; A1898-V1900 PolarHBondContact O-N 3.32Å; A1898-R1901 WeakPolarHBondContact O-CA 3.38Å; A1898-R1901 PolarHBondContact O-N 3.25Å; A1898-H1902 PolarHBondContact O-N 3.3Å; A1898-H1902 PolarHBondContact O-ND1 2.88Å
1899N29.8Very low29.7Very low72 Ų72113 Ų11339%0.38557%0.573SS.*Hα-helixtrans-60.6-39.2179.5-72.1-2.8000112.3A1895 F1896 R1901 H1902 F1903A1895-N1899 WeakPolarHBondContact O-CB 3.47Å; A1895-N1899 PolarHBondContact O-N 2.88Å; A1895-N1899 PolarHBondContact O-OD1 3.39Å; F1896-N1899 PolarHBondContact O-N 2.9Å; N1899-R1901 PolarHBondContact O-N 2.82Å; N1899-R1901 VanDerWaalsContact O-N 3.15Å; N1899-H1902 PolarHBondContact O-N 3.41Å; N1899-F1903 WeakPolarHBondContact O-CB 3.47Å; N1899-F1903 WeakPolarHBondContact O-CD2 3.41Å; N1899-F1903 PolarHBondContact O-N 2.79Å
1900V33.4Very low30.7Very low42 Ų42108.2 Ų108.226%0.25556%0.559SS.*Hα-helixtrans-54.8-31.7172.6167.20000112.4F1896 A1898 F1917F1896-V1900 WeakPolarHBondContact O-CG2 3.34Å; F1896-V1900 PolarHBondContact O-N 3.22Å; A1898-V1900 VanDerWaalsContact C-N 3.33Å; A1898-V1900 PolarHBondContact O-N 3.32Å; V1900-F1917 HydrophobicContact CB-CZ 4.39Å; V1900-F1917 HydrophobicContact CG1-CZ 4.06Å; V1900-F1917 HydrophobicContact CG2-CE2 4.09Å; V1900-F1917 HydrophobicContact CG2-CZ 3.94Å
1901R29.1Very low31.6Very low183 Ų183105.9 Ų105.969%0.69155%0.553SS**Hα-helixtrans-88.3-39.4179.7-141174.2-168.4172.50.8113.1A1898 N1899 F1903 T1904A1898-R1901 WeakPolarHBondContact O-CA 3.38Å; A1898-R1901 PolarHBondContact O-N 3.25Å; N1899-R1901 PolarHBondContact O-N 2.82Å; N1899-R1901 VanDerWaalsContact O-N 3.15Å; R1901-F1903 VanDerWaalsContact C-N 3.26Å; R1901-F1903 PolarHBondContact O-N 2.82Å; R1901-T1904 PolarHBondContact O-N 2.87Å; R1901-T1904 PolarHBondContact O-OG1 3.35Å
1902H31.8Very low32.7Very low98 Ų98107.6 Ų107.645%0.45454%0.544SS..Hα-helixtrans-65-30.9172.6-66.284000111.6A1898 N1899 T1904 E1905 F1906A1898-H1902 PolarHBondContact O-N 3.3Å; A1898-H1902 PolarHBondContact O-ND1 2.88Å; N1899-H1902 PolarHBondContact O-N 3.41Å; H1902-T1904 PolarHBondContact O-N 2.99Å; H1902-E1905 PolarHBondContact O-N 3.48Å; H1902-F1906 WeakPolarHBondContact O-CD2 3.46Å
1903F29.6Very low34.1Very low117 Ų117103.1 Ų103.151%0.51353%0.532SS..THydrogen-bonded Turntrans-69.1-8.6171.3-94.3-77.7000114.4N1899 R1901 I1909N1899-F1903 WeakPolarHBondContact O-CB 3.47Å; N1899-F1903 WeakPolarHBondContact O-CD2 3.41Å; N1899-F1903 PolarHBondContact O-N 2.79Å; R1901-F1903 VanDerWaalsContact C-N 3.26Å; R1901-F1903 PolarHBondContact O-N 2.82Å; F1903-I1909 HydrophobicContact CD1-CD1 3.99Å; F1903-I1909 WeakPolarHBondContact O-CD1 3.33Å
1904T33.3Very low35.4Very low113 Ų113102.7 Ų102.769%0.69353%0.533SS*.THydrogen-bonded Turntrans-94.8-4.9166.848.50000113.8R1901 H1902R1901-T1904 PolarHBondContact O-N 2.87Å; R1901-T1904 PolarHBondContact O-OG1 3.35Å; H1902-T1904 PolarHBondContact O-N 2.99Å
1905E31.2Very low36.9Very low130 Ų130101.9 Ų101.961%0.60753%0.529SS*.THydrogen-bonded Turntrans-102.9-8.2-178.2-68.8169.5-179.600112.8H1902H1902-E1905 PolarHBondContact O-N 3.48Å
1906F30.6Very low38.5Very low150 Ų150108.1 Ų108.166%0.65854%0.544SS*.SBendtrans-96.6114.4169.7-75.1-76.1000111.5H1902H1902-F1906 WeakPolarHBondContact O-CD2 3.46Å
1907P30.2Very low40.1Very low111 Ų111105.4 Ų105.472%0.72153%0.532SS*.SBendtrans-68.9162.9169.529.6-34000111.7
1908V34.3Very low41.9Very low147 Ų147103.9 Ų103.989%0.89153%0.528SS*.  trans69.555.6-179.9-1580000114.5
1909I39.5Very low43.8Very low53 Ų53104 Ų10427%0.27253%0.532SS..  trans-93.5130.1164.5-60.3175.3000109.7F1903 I1913 N1914F1903-I1909 HydrophobicContact CD1-CD1 3.99Å; F1903-I1909 WeakPolarHBondContact O-CD1 3.33Å; I1909-I1913 HydrophobicContact CG2-CB 3.79Å; I1909-I1913 HydrophobicContact CG2-CG2 3.75Å; I1909-N1914 WeakPolarHBondContact CG2-OD1 3.49Å
1910T45.3Very low45.6Very low83 Ų83103.3 Ų103.351%0.50953%0.531SS..  trans-72.7149177.756.30000112E1912 I1913 N1914T1910-E1912 VanDerWaalsContact C-N 3.25Å; T1910-E1912 PolarHBondContact O-N 3.06Å; T1910-I1913 PolarHBondContact O-N 2.83Å; T1910-N1914 PolarHBondContact O-N 2.85Å
1911S45.3Very low46.8Very low84 Ų84104.7 Ų104.759%0.58754%0.536SS*.Hα-helixtrans-59.8-31-174.654.50000114.1N1914 Q1915S1911-N1914 PolarHBondContact O-N 2.89Å; S1911-Q1915 PolarHBondContact O-N 2.79Å
1912E49.2Very low48.8Very low100 Ų10099.1 Ų99.147%0.46753%0.525SS..Hα-helixtrans-61-41.7173-103.5-160.899.200113T1910 N1914 Q1915 R1916T1910-E1912 VanDerWaalsContact C-N 3.25Å; T1910-E1912 PolarHBondContact O-N 3.06Å; E1912-N1914 VanDerWaalsContact C-N 3.34Å; E1912-Q1915 PolarHBondContact O-N 2.87Å; E1912-R1916 WeakPolarHBondContact O-CG 2.96Å; E1912-R1916 PolarHBondContact O-N 3.34Å; E1912-R1916 IonicContact OE1-CZ 3.15Å; E1912-R1916 IonicContact OE1-NE 2.78Å; E1912-R1916 IonicContact OE1-NH2 2.73Å; E1912-R1916 PolarHBondContact OE1-NH2 2.99Å
1913I54.2Low50.7Low88 Ų8895.9 Ų95.945%0.45152%0.515SS..Hα-helixtrans-67.3-42178.6-65.8174.4000109.1I1909 T1910 Q1915 R1916 F1917I1909-I1913 HydrophobicContact CG2-CB 3.79Å; I1909-I1913 HydrophobicContact CG2-CG2 3.75Å; T1910-I1913 PolarHBondContact O-N 2.83Å; I1913-Q1915 PolarHBondContact O-N 3.2Å; I1913-R1916 PolarHBondContact O-N 2.81Å; I1913-F1917 WeakPolarHBondContact O-CB 3.49Å; I1913-F1917 PolarHBondContact O-N 3.15Å
1914N53Low52.3Low83 Ų8394.4 Ų94.444%0.44451%0.507SS..Hα-helixtrans-61.4-41.8175.1-75-22.1000112.5I1909 T1910 S1911 E1912 F1917 L1918I1909-N1914 WeakPolarHBondContact CG2-OD1 3.49Å; T1910-N1914 PolarHBondContact O-N 2.85Å; S1911-N1914 PolarHBondContact O-N 2.89Å; E1912-N1914 VanDerWaalsContact C-N 3.34Å; N1914-F1917 PolarHBondContact O-N 2.76Å; N1914-L1918 VanDerWaalsContact O-CB 3.3Å; N1914-L1918 WeakPolarHBondContact O-CB 3.4Å; N1914-L1918 PolarHBondContact O-N 3.08Å
1915Q60Low53.6Low140 Ų14092.5 Ų92.565%0.65450%0.495SS*.Hα-helixtrans-67.1-42.3175-80.4-162.7-19.900113S1911 E1912 I1913 F1917 L1918 G1919S1911-Q1915 PolarHBondContact O-N 2.79Å; E1912-Q1915 PolarHBondContact O-N 2.87Å; I1913-Q1915 PolarHBondContact O-N 3.2Å; Q1915-F1917 VanDerWaalsContact C-N 3.33Å; Q1915-F1917 PolarHBondContact O-N 3.47Å; Q1915-L1918 PolarHBondContact O-N 3.21Å; Q1915-G1919 PolarHBondContact O-N 3.18Å
1916R62.7Low55.5Low171 Ų17192.1 Ų92.165%0.64549%0.493SS*.Hα-helixtrans-63.9-39.9175.7-69.2-179.8-164.9-154.38.3111.7E1912 I1913 G1919 V1920E1912-R1916 WeakPolarHBondContact O-CG 2.96Å; E1912-R1916 PolarHBondContact O-N 3.34Å; E1912-R1916 IonicContact OE1-CZ 3.15Å; E1912-R1916 IonicContact OE1-NE 2.78Å; E1912-R1916 IonicContact OE1-NH2 2.73Å; E1912-R1916 PolarHBondContact OE1-NH2 2.99Å; I1913-R1916 PolarHBondContact O-N 2.81Å; R1916-G1919 PolarHBondContact O-N 2.67Å; R1916-V1920 WeakPolarHBondContact O-CG2 3.3Å; R1916-V1920 PolarHBondContact O-N 2.79Å
1917F59.9Low57.5Low72 Ų7286.9 Ų86.932%0.31647%0.47SS..Hα-helixtrans-64.7-43.6176-178.9-107.1000112.2V1900 I1913 N1914 Q1915 G1919 V1920 L1921V1900-F1917 HydrophobicContact CB-CZ 4.39Å; V1900-F1917 HydrophobicContact CG1-CZ 4.06Å; V1900-F1917 HydrophobicContact CG2-CE2 4.09Å; V1900-F1917 HydrophobicContact CG2-CZ 3.94Å; I1913-F1917 WeakPolarHBondContact O-CB 3.49Å; I1913-F1917 PolarHBondContact O-N 3.15Å; N1914-F1917 PolarHBondContact O-N 2.76Å; Q1915-F1917 VanDerWaalsContact C-N 3.33Å; Q1915-F1917 PolarHBondContact O-N 3.47Å; F1917-G1919 VanDerWaalsContact C-N 3.34Å; F1917-G1919 PolarHBondContact O-N 2.84Å; F1917-V1920 PolarHBondContact O-N 3.02Å; F1917-L1921 HydrophobicContact CD1-CD1 3.99Å; F1917-L1921 HydrophobicContact CE1-CD1 3.53Å; F1917-L1921 HydrophobicContact CE1-CG 4.34Å; F1917-L1921 HydrophobicContact CZ-CD1 3.95Å; F1917-L1921 HydrophobicContact CZ-CG 4.36Å; F1917-L1921 PolarHBondContact O-N 3.43Å
1918L66Low58.8Low106 Ų10688 Ų8856%0.55546%0.46SS*.Hα-helixtrans-60.6-42.3173.2-17364.2000111.6N1914 Q1915 V1920 L1921 C1922N1914-L1918 VanDerWaalsContact O-CB 3.3Å; N1914-L1918 WeakPolarHBondContact O-CB 3.4Å; N1914-L1918 PolarHBondContact O-N 3.08Å; Q1915-L1918 PolarHBondContact O-N 3.21Å; L1918-V1920 PolarHBondContact O-N 3.44Å; L1918-L1921 WeakPolarHBondContact O-CB 3.42Å; L1918-L1921 PolarHBondContact O-N 2.81Å; L1918-C1922 PolarHBondContact O-N 3.21Å; L1918-C1922 PolarHBondContact O-SG 2.89Å; L1918-C1922 VanDerWaalsContact O-SG 3.39Å
1919G71.2Confident60.3Low40 Ų4086.1 Ų86.141%0.41245%0.445SS..Hα-helixtrans-60.4-42.1174.600000113.6Q1915 R1916 F1917 C1922 A1923Q1915-G1919 PolarHBondContact O-N 3.18Å; R1916-G1919 PolarHBondContact O-N 2.67Å; F1917-G1919 VanDerWaalsContact C-N 3.34Å; F1917-G1919 PolarHBondContact O-N 2.84Å; G1919-C1922 PolarHBondContact O-N 2.9Å; G1919-A1923 PolarHBondContact O-N 2.77Å
1920V67.5Low61.9Low58 Ų5888 Ų8835%0.35246%0.455SS..Hα-helixtrans-65-39.3174.9171.50000111.6R1916 F1917 L1918 A1923 Y1924R1916-V1920 WeakPolarHBondContact O-CG2 3.3Å; R1916-V1920 PolarHBondContact O-N 2.79Å; F1917-V1920 PolarHBondContact O-N 3.02Å; L1918-V1920 PolarHBondContact O-N 3.44Å; V1920-A1923 PolarHBondContact O-N 3.23Å; V1920-Y1924 WeakPolarHBondContact O-CB 3.25Å; V1920-Y1924 PolarHBondContact O-N 2.79Å
1921L58.8Low62.7Low71 Ų7187.5 Ų87.537%0.37244%0.444SS..Hα-helixtrans-62.9-42.4174.4-76.7171.4000112.2F1917 L1918 Y1924 T1925F1917-L1921 HydrophobicContact CD1-CD1 3.99Å; F1917-L1921 HydrophobicContact CE1-CD1 3.53Å; F1917-L1921 HydrophobicContact CE1-CG 4.34Å; F1917-L1921 HydrophobicContact CZ-CD1 3.95Å; F1917-L1921 HydrophobicContact CZ-CG 4.36Å; F1917-L1921 PolarHBondContact O-N 3.43Å; L1918-L1921 WeakPolarHBondContact O-CB 3.42Å; L1918-L1921 PolarHBondContact O-N 2.81Å; L1921-Y1924 PolarHBondContact O-N 3.47Å; L1921-T1925 WeakPolarHBondContact O-CG2 3.26Å; L1921-T1925 PolarHBondContact O-N 2.88Å; L1921-T1925 PolarHBondContact O-OG1 3.41Å
1922C72.2Confident62.8Low66 Ų6687.1 Ų87.145%0.44644%0.435SS..Hα-helixtrans-63.4-47.9175.1-68.40000112.1L1918 G1919 Y1924 T1925 E1926L1918-C1922 PolarHBondContact O-N 3.21Å; L1918-C1922 PolarHBondContact O-SG 2.89Å; L1918-C1922 VanDerWaalsContact O-SG 3.39Å; G1919-C1922 PolarHBondContact O-N 2.9Å; C1922-Y1924 VanDerWaalsContact C-N 3.27Å; C1922-Y1924 PolarHBondContact O-N 3.19Å; C1922-T1925 PolarHBondContact O-N 3.01Å; C1922-T1925 PolarHBondContact O-OG1 2.8Å; C1922-T1925 VanDerWaalsContact O-OG1 3.06Å; C1922-E1926 PolarHBondContact O-N 3.35Å
1923A70.2Confident63.1Low31 Ų3187.4 Ų87.426%0.25644%0.44SS..Hα-helixtrans-60.9-35.7178.700000112.8L1862 G1919 V1920 Y1927L1862-A1923 HydrophobicContact CD2-CB 4.11Å; G1919-A1923 PolarHBondContact O-N 2.77Å; V1920-A1923 PolarHBondContact O-N 3.23Å; A1923-Y1927 WeakPolarHBondContact O-CB 3.39Å; A1923-Y1927 PolarHBondContact O-N 3.14Å
1924Y63.2Low63.2Low85 Ų8588.4 Ų88.433%0.33344%0.443SS..Hα-helixtrans-71.1-42176.6180-100.9000112.9M1856 V1920 L1921 C1922 Y1927 Y1928M1856-Y1924 HydrophobicContact CE-CD2 4.41Å; M1856-Y1924 HydrophobicContact CE-CE2 3.83Å; M1856-Y1924 HydrophobicContact SD-CE2 4.23Å; V1920-Y1924 WeakPolarHBondContact O-CB 3.25Å; V1920-Y1924 PolarHBondContact O-N 2.79Å; L1921-Y1924 PolarHBondContact O-N 3.47Å; C1922-Y1924 VanDerWaalsContact C-N 3.27Å; C1922-Y1924 PolarHBondContact O-N 3.19Å; Y1924-Y1927 PolarHBondContact O-N 3.04Å; Y1924-Y1928 PolarHBondContact O-N 3.15Å; Y1924-Y1928 VanDerWaalsContact O-N 3.13Å
1925T60.1Low62.6Low73 Ų7390.2 Ų90.245%0.44844%0.443SS..Hα-helixtrans-69.3-40.4179.154.10000112.2L1921 C1922 Y1928 L1929L1921-T1925 WeakPolarHBondContact O-CG2 3.26Å; L1921-T1925 PolarHBondContact O-N 2.88Å; L1921-T1925 PolarHBondContact O-OG1 3.41Å; C1922-T1925 PolarHBondContact O-N 3.01Å; C1922-T1925 PolarHBondContact O-OG1 2.8Å; C1922-T1925 VanDerWaalsContact O-OG1 3.06Å; T1925-Y1928 PolarHBondContact O-N 2.96Å; T1925-L1929 WeakPolarHBondContact O-CB 3.46Å; T1925-L1929 WeakPolarHBondContact O-CG 3.4Å; T1925-L1929 PolarHBondContact O-N 3.26Å
1926E71.7Confident61.6Low122 Ų12287.6 Ų87.657%0.5744%0.44SS*.Hα-helixtrans-61.1-44.4173.5-74.5-163.2157.400112.4C1922 Y1928 L1929 N1930C1922-E1926 PolarHBondContact O-N 3.35Å; E1926-Y1928 VanDerWaalsContact C-N 3.32Å; E1926-Y1928 PolarHBondContact O-N 3.13Å; E1926-L1929 PolarHBondContact O-N 2.86Å; E1926-N1930 WeakPolarHBondContact O-CB 3.35Å; E1926-N1930 PolarHBondContact O-N 3.33Å; E1926-N1930 PolarHBondContact O-ND2 2.75Å
1927Y72.4Confident60.7Low41 Ų4184.3 Ų84.316%0.16144%0.443CS..Hα-helixtrans-58.2-45.8176.1177.6-91000111.8I1855 P1857 Y1861 A1923 Y1924 R1931I1855-Y1927 PolarHBondContact O-OH 2.62Å; P1857-Y1927 HydrophobicContact CB-CD1 4.27Å; P1857-Y1927 HydrophobicContact CB-CD2 3.87Å; P1857-Y1927 HydrophobicContact CB-CE1 4.09Å; P1857-Y1927 HydrophobicContact CB-CE2 3.65Å; P1857-Y1927 HydrophobicContact CB-CG 4.16Å; P1857-Y1927 VanDerWaalsContact CD-CE1 3.41Å; P1857-Y1927 HydrophobicContact CG-CD1 3.78Å; P1857-Y1927 HydrophobicContact CG-CD2 4.2Å; P1857-Y1927 HydrophobicContact CG-CE1 3.84Å; P1857-Y1927 HydrophobicContact CG-CE2 4.24Å; P1857-Y1927 HydrophobicContact CG-CG 3.96Å; Y1861-Y1927 HydrophobicContact CD1-CD2 4.22Å; Y1861-Y1927 AromaticContact CE1-CD2 3.91Å; Y1861-Y1927 HydrophobicContact CE1-CD2 3.91Å; Y1861-Y1927 HydrophobicContact CE1-CG 4.48Å; A1923-Y1927 WeakPolarHBondContact O-CB 3.39Å; A1923-Y1927 PolarHBondContact O-N 3.14Å; Y1924-Y1927 PolarHBondContact O-N 3.04Å; Y1927-R1931 WeakPolarHBondContact O-CB 3.11Å; Y1927-R1931 PolarHBondContact O-N 3.22Å; Y1927-R1931 PolarHBondContact OH-NH1 3.16Å; Y1927-R1931 PolarHBondContact OH-NH2 3.17Å
1928Y57.3Low59.6Low134 Ų13487 Ų8753%0.52546%0.456SS..Hα-helixtrans-65.2-40.8-178.8-163.3-89.9000111.9Y1924 T1925 E1926 L1932Y1924-Y1928 PolarHBondContact O-N 3.15Å; Y1924-Y1928 VanDerWaalsContact O-N 3.13Å; T1925-Y1928 PolarHBondContact O-N 2.96Å; E1926-Y1928 VanDerWaalsContact C-N 3.32Å; E1926-Y1928 PolarHBondContact O-N 3.13Å; Y1928-L1932 HydrophobicContact CD1-CD1 4.03Å; Y1928-L1932 HydrophobicContact CE1-CD1 3.73Å; Y1928-L1932 PolarHBondContact O-N 3.39Å
1929L65.4Low57.7Low108 Ų10887.9 Ų87.957%0.56546%0.458SS*.Hα-helixtrans-65.7-48.4175.6-77.7165.4000112.6T1925 E1926 R1931 L1932 N1933T1925-L1929 WeakPolarHBondContact O-CB 3.46Å; T1925-L1929 WeakPolarHBondContact O-CG 3.4Å; T1925-L1929 PolarHBondContact O-N 3.26Å; E1926-L1929 PolarHBondContact O-N 2.86Å; L1929-R1931 VanDerWaalsContact C-N 3.28Å; L1929-R1931 PolarHBondContact O-N 3.25Å; L1929-L1932 WeakPolarHBondContact O-CB 3.44Å; L1929-L1932 PolarHBondContact O-N 3.32Å; L1929-N1933 PolarHBondContact O-N 2.61Å
1930N74.4Confident55.8Low92 Ų9290.9 Ų90.949%0.49247%0.47SS..Hα-helixtrans-59.6-40.9178.7-80.3-35.7000111.5E1926 N1933 E1934E1926-N1930 WeakPolarHBondContact O-CB 3.35Å; E1926-N1930 PolarHBondContact O-N 3.33Å; E1926-N1930 PolarHBondContact O-ND2 2.75Å; N1930-N1933 WeakPolarHBondContact O-CB 3.4Å; N1930-N1933 PolarHBondContact O-N 3.39Å; N1930-E1934 PolarHBondContact O-N 3.07Å
1931R61Low54.1Low72 Ų7292.8 Ų92.827%0.27248%0.482SS..Hα-helixtrans-72.3-30.6178-153.8-171.3-152.8160.315.4113.9I1855 Y1927 L1929 N1933 E1934 W1935I1855-R1931 VanDerWaalsContact C-NH1 3.27Å; I1855-R1931 PolarHBondContact O-NH1 2.63Å; I1855-R1931 PolarHBondContact O-NH2 3Å; Y1927-R1931 WeakPolarHBondContact O-CB 3.11Å; Y1927-R1931 PolarHBondContact O-N 3.22Å; Y1927-R1931 PolarHBondContact OH-NH1 3.16Å; Y1927-R1931 PolarHBondContact OH-NH2 3.17Å; L1929-R1931 VanDerWaalsContact C-N 3.28Å; L1929-R1931 PolarHBondContact O-N 3.25Å; R1931-N1933 VanDerWaalsContact C-N 3.3Å; R1931-E1934 PolarHBondContact O-N 3.03Å; R1931-W1935 VanDerWaalsContact O-CB 3.32Å; R1931-W1935 WeakPolarHBondContact O-CB 3.13Å; R1931-W1935 PolarHBondContact O-N 3.41Å
1932L47.5Very low52.5Low77 Ų7798.9 Ų98.940%0.40350%0.5SS..Hα-helixtrans-62-41.4169.3-110.1164.7000110.8Y1928 L1929 W1935 C1936Y1928-L1932 HydrophobicContact CD1-CD1 4.03Å; Y1928-L1932 HydrophobicContact CE1-CD1 3.73Å; Y1928-L1932 PolarHBondContact O-N 3.39Å; L1929-L1932 WeakPolarHBondContact O-CB 3.44Å; L1929-L1932 PolarHBondContact O-N 3.32Å; L1932-W1935 PolarHBondContact O-N 3.03Å; L1932-C1936 WeakPolarHBondContact O-CB 3.11Å; L1932-C1936 PolarHBondContact O-N 2.82Å; L1932-C1936 PolarHBondContact O-SG 2.89Å
1933N57.2Low50.3Low106 Ų106102.5 Ų102.557%0.56751%0.514SS*.Hα-helixtrans-65.3-46173.5-78.8-28.4000112.3L1929 N1930 R1931 W1935 C1936 S1937L1929-N1933 PolarHBondContact O-N 2.61Å; N1930-N1933 WeakPolarHBondContact O-CB 3.4Å; N1930-N1933 PolarHBondContact O-N 3.39Å; R1931-N1933 VanDerWaalsContact C-N 3.3Å; N1933-W1935 VanDerWaalsContact C-N 3.34Å; N1933-W1935 PolarHBondContact O-N 2.98Å; N1933-C1936 PolarHBondContact O-N 2.92Å; N1933-S1937 PolarHBondContact O-N 2.83Å; N1933-S1937 PolarHBondContact O-OG 3.4Å; N1933-S1937 VanDerWaalsContact O-OG 3.1Å
1934E55.8Low48.2Very low109 Ų109102.8 Ų102.851%0.50951%0.514SS..Hα-helixtrans-57.7-44.5173.8-73.7-162.6118.300112.3N1930 R1931 C1936 S1937 Q1938N1930-E1934 PolarHBondContact O-N 3.07Å; R1931-E1934 PolarHBondContact O-N 3.03Å; E1934-C1936 PolarHBondContact O-N 2.77Å; E1934-S1937 CarbonylContact O-C 3.54Å; E1934-S1937 WeakPolarHBondContact O-CB 3.37Å; E1934-S1937 PolarHBondContact O-N 2.88Å; E1934-S1937 VanDerWaalsContact O-N 3.1Å; E1934-Q1938 WeakPolarHBondContact O-CB 3.46Å; E1934-Q1938 WeakPolarHBondContact O-CG 3.42Å; E1934-Q1938 PolarHBondContact O-N 2.88Å
1935W40.1Very low46.4Very low120 Ų120104.6 Ų104.646%0.45553%0.526SS..Hα-helixtrans-65.5-38.8179.7-177.578.9000112.2L1852 R1931 L1932 N1933 S1937 Q1938L1852-W1935 HydrophobicContact CD1-CZ2 3.67Å; L1852-W1935 VanDerWaalsContact CD2-NE1 3.3Å; R1931-W1935 VanDerWaalsContact O-CB 3.32Å; R1931-W1935 WeakPolarHBondContact O-CB 3.13Å; R1931-W1935 PolarHBondContact O-N 3.41Å; L1932-W1935 PolarHBondContact O-N 3.03Å; N1933-W1935 VanDerWaalsContact C-N 3.34Å; N1933-W1935 PolarHBondContact O-N 2.98Å; W1935-S1937 VanDerWaalsContact C-N 3.31Å; W1935-S1937 PolarHBondContact O-N 3.36Å; W1935-Q1938 PolarHBondContact O-N 3.32Å
1936C38.8Very low44.8Very low86 Ų86108.1 Ų108.158%0.58154%0.54SS*.Hα-helixtrans-63.5-33.8170.3-73.80000112.6L1932 N1933 E1934L1932-C1936 WeakPolarHBondContact O-CB 3.11Å; L1932-C1936 PolarHBondContact O-N 2.82Å; L1932-C1936 PolarHBondContact O-SG 2.89Å; N1933-C1936 PolarHBondContact O-N 2.92Å; E1934-C1936 PolarHBondContact O-N 2.77Å
1937S44.8Very low42.6Very low101 Ų101109.9 Ų109.971%0.70655%0.55SS**Hα-helixtrans-76.4-31.8175-60.70000113.6N1933 E1934 W1935 Q1939N1933-S1937 PolarHBondContact O-N 2.83Å; N1933-S1937 PolarHBondContact O-OG 3.4Å; N1933-S1937 VanDerWaalsContact O-OG 3.1Å; E1934-S1937 CarbonylContact O-C 3.54Å; E1934-S1937 WeakPolarHBondContact O-CB 3.37Å; E1934-S1937 PolarHBondContact O-N 2.88Å; E1934-S1937 VanDerWaalsContact O-N 3.1Å; W1935-S1937 VanDerWaalsContact C-N 3.31Å; W1935-S1937 PolarHBondContact O-N 3.36Å; S1937-Q1939 VanDerWaalsContact C-N 3.35Å; S1937-Q1939 PolarHBondContact O-N 3.09Å
1938Q34.8Very low40.4Very low128 Ų128116.7 Ų116.760%0.59858%0.576SS**  trans-92.939.7-173.6-66.9-172.943.400114.1E1934 W1935 P1940E1934-Q1938 WeakPolarHBondContact O-CB 3.46Å; E1934-Q1938 WeakPolarHBondContact O-CG 3.42Å; E1934-Q1938 PolarHBondContact O-N 2.88Å; W1935-Q1938 PolarHBondContact O-N 3.32Å; Q1938-P1940 VanDerWaalsContact O-CD 3.29Å; Q1938-P1940 WeakPolarHBondContact O-CD 3.2Å
1939Q26.3Very low38.8Very low125 Ų125115.7 Ų115.758%0.58459%0.588SS**  trans-111.957.2168.8-71.2-63.8-33.200114.6S1937 T1941S1937-Q1939 VanDerWaalsContact C-N 3.35Å; S1937-Q1939 PolarHBondContact O-N 3.09Å; Q1939-T1941 PolarHBondContact O-N 3.38Å
1940P31.6Very low36.8Very low103 Ų103118.4 Ų118.467%0.66960%0.598SS**  trans-74.990.8172.432.5-34.5000112.2Q1938 R1942Q1938-P1940 VanDerWaalsContact O-CD 3.29Å; Q1938-P1940 WeakPolarHBondContact O-CD 3.2Å; P1940-R1942 PolarHBondContact O-N 3.16Å; P1940-R1942 VanDerWaalsContact O-N 3.11Å
1941T32.9Very low34.3Very low99 Ų99119.7 Ų119.761%0.60761%0.614SS**  trans36.565.7138.855.10000118.2Q1939 L1943 S1944Q1939-T1941 PolarHBondContact O-N 3.38Å; T1941-L1943 PolarHBondContact O-N 2.91Å; T1941-S1944 WeakPolarHBondContact O-CB 3.47Å; T1941-S1944 PolarHBondContact O-N 3.49Å; T1941-S1944 PolarHBondContact O-OG 2.86Å
1942R25.4Very low32.5Very low199 Ų199126.8 Ų126.875%0.75164%0.641SS**G310 helixtrans-64-2168.1-150.7-179.5-177.91783.7114.9P1940 S1944 E1945P1940-R1942 PolarHBondContact O-N 3.16Å; P1940-R1942 VanDerWaalsContact O-N 3.11Å; R1942-S1944 PolarHBondContact O-N 3.42Å; R1942-E1945 IonicContact CZ-OE2 2.67Å; R1942-E1945 IonicContact NE-OE2 3.31Å; R1942-E1945 PolarHBondContact NE-OE2 2.87Å; R1942-E1945 IonicContact NH2-OE2 3.16Å; R1942-E1945 PolarHBondContact NH2-OE2 3.31Å; R1942-E1945 VanDerWaalsContact NH2-OE2 3.16Å
1943L24.5Very low31.3Very low141 Ų141129.7 Ų129.774%0.73866%0.656SS**G310 helixtrans-62.4-17.1162.4-112166.1000113T1941T1941-L1943 PolarHBondContact O-N 2.91Å
1944S26.7Very low29.7Very low38 Ų38133 Ų13327%0.26667%0.666SS.*G310 helixtrans-93.13.7-173.974.50000115.7T1941 R1942 R1948T1941-S1944 WeakPolarHBondContact O-CB 3.47Å; T1941-S1944 PolarHBondContact O-N 3.49Å; T1941-S1944 PolarHBondContact O-OG 2.86Å; R1942-S1944 PolarHBondContact O-N 3.42Å; S1944-R1948 VanDerWaalsContact O-CG 3.29Å; S1944-R1948 WeakPolarHBondContact O-CG 3.39Å; S1944-R1948 PolarHBondContact O-NH1 3.29Å; S1944-R1948 PolarHBondContact OG-NH1 3.22Å
1945E26.4Very low28.2Very low122 Ų122135 Ų13557%0.5768%0.679SS**THydrogen-bonded Turntrans-87-35.4164.4-67.7-171.2117.900111.4R1942 M1947 R1948R1942-E1945 IonicContact CZ-OE2 2.67Å; R1942-E1945 IonicContact NE-OE2 3.31Å; R1942-E1945 PolarHBondContact NE-OE2 2.87Å; R1942-E1945 IonicContact NH2-OE2 3.16Å; R1942-E1945 PolarHBondContact NH2-OE2 3.31Å; R1942-E1945 VanDerWaalsContact NH2-OE2 3.16Å; E1945-M1947 PolarHBondContact O-N 2.8Å; E1945-R1948 PolarHBondContact O-N 2.97Å
1946I26Very low27.4Very low147 Ų147136.7 Ų136.775%0.75470%0.697SS**THydrogen-bonded Turntrans-72.1-10.9174.2-68.8177.5000112.1
1947M24.7Very low26.9Very low159 Ų159138 Ų13878%0.78370%0.704SS**THydrogen-bonded Turntrans-114.623.5171.5-55.1-156.191.800113.8E1945E1945-M1947 PolarHBondContact O-N 2.8Å
1948R25.8Very low25.9Very low185 Ų185141 Ų14170%0.69871%0.711SS**  trans-128.353.7172.7-76.8-166.2-170.196.8-6.8113.4S1944 E1945S1944-R1948 VanDerWaalsContact O-CG 3.29Å; S1944-R1948 WeakPolarHBondContact O-CG 3.39Å; S1944-R1948 PolarHBondContact O-NH1 3.29Å; S1944-R1948 PolarHBondContact OG-NH1 3.22Å; E1945-R1948 PolarHBondContact O-N 2.97Å
1949S23.8Very low25.5Very low112 Ų112140.2 Ų140.278%0.78372%0.717SS**SBendtrans-124.727.4161.971.80000112.8
1950E23.7Very low25.4Very low166 Ų166140.1 Ų140.178%0.77673%0.725SS**  trans-146.4123.5170.7-124.6177.8-115.600111.1
1951S23.4Very low25Very low118 Ų118141.2 Ų141.283%0.82573%0.729SS**  trans-107.6110.1-176.1-56.10000111.5
1952R22.7Very low24.5Very low221 Ų221142 Ų14283%0.83474%0.74SS**  trans-139.796.3160-63.7-171.8-177.3-175.42.5107.2
1953L21.2Very low24.5Very low138 Ų138138.4 Ų138.472%0.72374%0.744SS**  82.5126.478.8-77.9171.2000113.1
1954F24.5Very low24.4Very low175 Ų175139.2 Ų139.277%0.76875%0.748SS**  trans98.5116.8161.8-60.4-66.8000121.5
1955L24.7Very low24.3Very low151 Ų151145.5 Ų145.579%0.79178%0.778SS**  trans68.584.5133.8-66.5163.4000120.2
1956D22.8Very low24.1Very low156 Ų156144.3 Ų144.383%0.83478%0.783SS**  31.9153.7101.8-70.79.7000122
1957P29.3Very low23.9Very low113 Ų113148.5 Ų148.573%0.73479%0.789SS**  trans-114.4171.8-147.842.5-34.7000116.4
1958I23.8Very low24.2Very low165 Ų165147.2 Ų147.285%0.84679%0.785SS**  trans-148.6138.3156.8-93.8139.5000110.1
1959P24.9Very low24.2Very low111 Ų111146.7 Ų146.772%0.72179%0.788SS**  trans-101.9-159.6174.141.6-36.5000112.7
1960T25.4Very low24.2Very low124 Ų124149.9 Ų149.976%0.76179%0.791SS**  trans104.5103.3179.2-470000111.6
1961V22.5Very low24.3Very low125 Ų125150 Ų15076%0.75880%0.795SS**  79.1109.461.1177.70000114
1962S23Very low24.2Very low117 Ų117148.7 Ų148.782%0.81879%0.786SS**  trans39.3116.3149.8-54.40000121.7
1963S25.3Very low24.4Very low122 Ų122145.3 Ų145.385%0.85378%0.784SS**  trans-139.9104.2148.564.40000111.5
1964I21.7Very low24.8Very low158 Ų158143.4 Ų143.481%0.8178%0.78SS**  trans-81.6137.8165.5-61.2166.8000107.8
1965L24.5Very low24.8Very low171 Ų171141.3 Ų141.390%0.89578%0.777SS**  trans-169.7167.8144.3-106.9165000111.9
1966S23.1Very low24.7Very low96 Ų96142.1 Ų142.167%0.67178%0.777SS**  trans-124168.1-161.2-47.10000113.4
1967R22Very low24.9Very low235 Ų235140.3 Ų140.389%0.88777%0.771SS**  trans71.3119.1169.7-67.1-179.7162.2111.7-3.2117.2
1968D31.1Very low24.8Very low132 Ų132143.3 Ų143.371%0.70678%0.775SS**  -158.6125.998.9-102.4-26.4000108.6
1969K25.3Very low24.9Very low175 Ų175143.1 Ų143.176%0.76178%0.776SS**  76.7107.688.4-84.3-172.2-172.7165.60115.6
1970Q23.2Very low25.1Very low179 Ų179145.2 Ų145.284%0.83678%0.78SS**  trans31.6127.1137.5-59.2-178.6-4.700119.6
1971I26.2Very low25.3Very low169 Ų169144.8 Ų144.887%0.86778%0.777SS**  -162.8154.5101-97.3156.1000109.3
1972S21.9Very low25.6Very low90 Ų90144.6 Ų144.663%0.62977%0.772SS**  trans-89.7151.1175.357.30000111.7
1973D27Very low25.9Very low149 Ų149144.3 Ų144.380%0.79777%0.765SS**  -167.5160.9107.5-95.1-3.8000112.5
1974P28Very low25.9Very low99 Ų99143.8 Ų143.864%0.64376%0.761SS**  trans-105.5-175.3-171.940.6-34.4000114.2
1975N24.5Very low26Very low131 Ų131140.7 Ų140.770%0.70175%0.754SS**  trans112.6101.1155.7-60.7-10.7000118.4
1976E23.8Very low26.1Very low168 Ų168138 Ų13879%0.78575%0.749SS**  73157.2117.9-66.8-173.213800123.4
1977T26.1Very low26.7Very low117 Ų117138.9 Ų138.972%0.71875%0.753SS**  trans57.996155.341.50000121
1978E26.8Very low26.8Very low176 Ų176133.3 Ų133.382%0.82275%0.75SS**  41.1123.5115.8-60.6-176163.900119.7
1979N27.4Very low26.5Very low161 Ų161135.4 Ų135.486%0.86176%0.755SS**  trans-153.5166.2138.2-122.3-72000114.8
1980I29Very low26.5Very low155 Ų155135.7 Ų135.780%0.79576%0.759SS**  trans-104.6135.9-164.2-66.3164.2000111.7
1981T29.7Very low26.7Very low115 Ų115132.9 Ų132.971%0.70676%0.755SS**  trans-163.3157.1173.523.70000109.5
1982D29Very low26.6Very low121 Ų121132.4 Ų132.465%0.64775%0.752SS**  cis-147.8-150-16.9-164.859.8000110.6
1983V27.4Very low26.7Very low112 Ų112133.6 Ų133.668%0.67976%0.755SS**  trans-138.1163.4-143.9156.40000114
1984S26Very low26.5Very low110 Ų110131.7 Ų131.777%0.76975%0.754SS**  trans72.2167.5165.279.90000118.7
1985S25.1Very low26.4Very low94 Ų94136.2 Ų136.266%0.65777%0.766SS**  cis-166.7146.7-44.256.40000112.9
1986S26.4Very low26.3Very low113 Ų113138.7 Ų138.779%0.7977%0.774SS**  trans64.7160.6152.847.50000121.1
1987P35.6Very low26.4Very low116 Ų116138.2 Ų138.275%0.75378%0.775SS**  trans-124170.6-167.942.9-29.5000116.3
1988S22.5Very low26.4Very low117 Ų117138 Ų13882%0.81878%0.778SS**  trans-161.7134.8153.3-73.40000107.3
1989Q26.4Very low26.5Very low177 Ų177138.2 Ų138.283%0.82778%0.779SS**  cis7091.536.3-71.6-159.2-600116.3
1990Q25.1Very low26.8Very low180 Ų180136.4 Ų136.484%0.84178%0.776SS**  trans-171.1134.7139.3-96.7149.841.900106
1991T26.8Very low26.8Very low121 Ų121135.2 Ų135.274%0.74278%0.776SS**  cis7494.331.6-50.10000113.2
1992I25.1Very low27.2Very low158 Ų158135.7 Ų135.781%0.8177%0.774SS**  trans172.9150.9156.6-97.3151.5000106.2
1993V22.8Very low27.7Very low115 Ų115139 Ų13970%0.69778%0.783SS**  cis180140-37.8130.20000103.3
1994S22.7Very low28.8Very low109 Ų109139 Ų13976%0.76277%0.772SS**  trans19.2127160.1-50.10000121.3
1995Q25.8Very low30.5Very low194 Ų194137 Ų13791%0.90776%0.758SS**  trans-142132.1133.1-156.71658.700110.8
1996E23.3Very low32.6Very low184 Ų184137.2 Ų137.286%0.8676%0.757SS**  trans-94.1134.5-177.4-60.3172.3108.900110.9
1997I26.1Very low34.8Very low158 Ų158135 Ų13581%0.8175%0.745SS**  trans-135.4133.8156.7-60.7-175.6000108.7
1998S24.7Very low35.9Very low111 Ų111135.9 Ų135.978%0.77673%0.733SS**  trans-44.3136.1-171.853.10000117.1
1999Q30.5Very low38.5Very low181 Ų181135.9 Ų135.985%0.84672%0.72SS**  trans-88.6138.8165.4-64.7-178.1400111.7
2000P33.6Very low41.1Very low123 Ų123133.2 Ų133.280%0.79971%0.708SS**  trans-73.6133165.430.4-32.7000110.8N2002P2000-N2002 PolarHBondContact O-N 2.58Å
2001T28.9Very low43.8Very low131 Ų131127.2 Ų127.280%0.80469%0.689SS**  trans-74.693.3-171.154.50000113.1
2002N36.9Very low46.1Very low125 Ų125126.6 Ų126.667%0.66868%0.676SS**  trans-91.7110.6170.9-144.7-25.3000110.3P2000 Y2004P2000-N2002 PolarHBondContact O-N 2.58Å; N2002-Y2004 PolarHBondContact O-N 3.34Å
2003K40.9Very low49Very low191 Ų191125.9 Ų125.983%0.8367%0.668SS**  trans-76.976.3-165.8-67.5-179.9179.4176.70113
2004Y49.9Very low51.9Low111 Ų111125.7 Ų125.744%0.43566%0.662SS.*  trans-67.5138.7160.6-59.3-52.4000110.1N2002 Q2009N2002-Y2004 PolarHBondContact O-N 3.34Å; Y2004-Q2009 PolarHBondContact O-NE2 3.21Å
2005S62.3Low54.9Low68 Ų68124.4 Ų124.448%0.47665%0.646SS.*  trans-59152.2177.958.70000111.7A2007 R2008 Q2009S2005-A2007 VanDerWaalsContact C-N 3.29Å; S2005-A2007 PolarHBondContact O-N 3.33Å; S2005-R2008 WeakPolarHBondContact O-CA 3.45Å; S2005-R2008 WeakPolarHBondContact O-CB 3.49Å; S2005-R2008 PolarHBondContact O-N 2.82Å; S2005-Q2009 PolarHBondContact O-N 3.25Å
2006P69.3Low57.7Low99 Ų99123.4 Ų123.464%0.64363%0.634SS**Hα-helixtrans-50.4-47.1178.7-29.636.4000112.8R2008 Q2009 E2010P2006-R2008 VanDerWaalsContact C-N 3.27Å; P2006-R2008 PolarHBondContact O-N 2.84Å; P2006-Q2009 CarbonylContact O-C 3.51Å; P2006-Q2009 WeakPolarHBondContact O-CA 3.48Å; P2006-Q2009 WeakPolarHBondContact O-CB 3.38Å; P2006-Q2009 PolarHBondContact O-N 3.03Å; P2006-E2010 PolarHBondContact O-N 3.5Å
2007A72.2Confident60.8Low65 Ų65120 Ų12054%0.53762%0.618SS.*Hα-helixtrans-57.3-33.9175.500000113.9S2005 A2011S2005-A2007 VanDerWaalsContact C-N 3.29Å; S2005-A2007 PolarHBondContact O-N 3.33Å; A2007-A2011 VanDerWaalsContact O-CB 3.3Å; A2007-A2011 WeakPolarHBondContact O-CB 3.43Å; A2007-A2011 PolarHBondContact O-N 2.96Å
2008R58.8Low63.7Low135 Ų135118.6 Ų118.651%0.50961%0.608SS.*Hα-helixtrans-76.4-30.6175.2-169.6174.4-171.6-176.83.8112.2S2005 P2006 F2012S2005-R2008 WeakPolarHBondContact O-CA 3.45Å; S2005-R2008 WeakPolarHBondContact O-CB 3.49Å; S2005-R2008 PolarHBondContact O-N 2.82Å; P2006-R2008 VanDerWaalsContact C-N 3.27Å; P2006-R2008 PolarHBondContact O-N 2.84Å; R2008-F2012 PolarHBondContact O-N 3.16Å; R2008-F2012 VanDerWaalsContact O-N 3.1Å
2009Q77.2Confident66.7Low117 Ų117117.7 Ų117.755%0.54759%0.593SS.*Hα-helixtrans-70.6-41.5172.1-59.9-176.627.900110.9Y2004 S2005 P2006 F2012 K2013Y2004-Q2009 PolarHBondContact O-NE2 3.21Å; S2005-Q2009 PolarHBondContact O-N 3.25Å; P2006-Q2009 CarbonylContact O-C 3.51Å; P2006-Q2009 WeakPolarHBondContact O-CA 3.48Å; P2006-Q2009 WeakPolarHBondContact O-CB 3.38Å; P2006-Q2009 PolarHBondContact O-N 3.03Å; Q2009-F2012 PolarHBondContact O-N 2.89Å; Q2009-K2013 WeakPolarHBondContact O-CB 3.22Å; Q2009-K2013 PolarHBondContact O-N 3.45Å
2010E80.1Confident69.5Low122 Ų122114.4 Ų114.457%0.5758%0.578SS**Hα-helixtrans-63.4-45172.9-70.9-177.3132.100112P2006 F2012 K2013 L2014P2006-E2010 PolarHBondContact O-N 3.5Å; E2010-F2012 VanDerWaalsContact C-N 3.28Å; E2010-F2012 PolarHBondContact O-N 3.43Å; E2010-K2013 CarbonylContact O-C 3.5Å; E2010-K2013 WeakPolarHBondContact O-CA 3.33Å; E2010-K2013 WeakPolarHBondContact O-CB 2.99Å; E2010-K2013 PolarHBondContact O-N 3.27Å; E2010-L2014 WeakPolarHBondContact O-CB 3.46Å; E2010-L2014 WeakPolarHBondContact O-CG 3.39Å; E2010-L2014 PolarHBondContact O-N 2.79Å
2011A81.8Confident72.1Confident54 Ų54114.2 Ų114.245%0.44657%0.565SS.*Hα-helixtrans-57.8-40.3173.100000112.2A2007 K2013 L2015A2007-A2011 VanDerWaalsContact O-CB 3.3Å; A2007-A2011 WeakPolarHBondContact O-CB 3.43Å; A2007-A2011 PolarHBondContact O-N 2.96Å; A2011-K2013 VanDerWaalsContact C-N 3.34Å; A2011-L2015 WeakPolarHBondContact O-CB 3.12Å; A2011-L2015 PolarHBondContact O-N 3.5Å
2012F75.6Confident74.6Confident108 Ų108109.6 Ų109.647%0.47454%0.54SS..Hα-helixtrans-66.7-33.2173.1-109.8-73.8000113.3R2008 Q2009 E2010 R2016R2008-F2012 PolarHBondContact O-N 3.16Å; R2008-F2012 VanDerWaalsContact O-N 3.1Å; Q2009-F2012 PolarHBondContact O-N 2.89Å; E2010-F2012 VanDerWaalsContact C-N 3.28Å; E2010-F2012 PolarHBondContact O-N 3.43Å; F2012-R2016 WeakPolarHBondContact O-CG 3.37Å; F2012-R2016 PolarHBondContact O-N 2.66Å; F2012-R2016 VanDerWaalsContact O-N 3.08Å
2013K84.8Confident76.8Confident143 Ų143109.7 Ų109.762%0.62254%0.538SS*.Hα-helixtrans-74.3-43.6179.2-165.1177.5-178.7-176.30111.4Q2009 E2010 A2011 R2016 Q2017Q2009-K2013 WeakPolarHBondContact O-CB 3.22Å; Q2009-K2013 PolarHBondContact O-N 3.45Å; E2010-K2013 CarbonylContact O-C 3.5Å; E2010-K2013 WeakPolarHBondContact O-CA 3.33Å; E2010-K2013 WeakPolarHBondContact O-CB 2.99Å; E2010-K2013 PolarHBondContact O-N 3.27Å; A2011-K2013 VanDerWaalsContact C-N 3.34Å; K2013-R2016 PolarHBondContact O-N 2.86Å; K2013-Q2017 WeakPolarHBondContact O-CG 3.45Å; K2013-Q2017 PolarHBondContact O-N 3.41Å
2014L84.8Confident78.9Confident110 Ų110107.3 Ų107.358%0.57652%0.524SS*.Hα-helixtrans-59.9-49.4170.9-75.7166.9000111E2010 R2016 Q2017 E2018E2010-L2014 WeakPolarHBondContact O-CB 3.46Å; E2010-L2014 WeakPolarHBondContact O-CG 3.39Å; E2010-L2014 PolarHBondContact O-N 2.79Å; L2014-R2016 VanDerWaalsContact C-N 3.27Å; L2014-R2016 PolarHBondContact O-N 2.95Å; L2014-Q2017 PolarHBondContact O-N 3.09Å; L2014-Q2017 VanDerWaalsContact O-N 3.08Å; L2014-E2018 WeakPolarHBondContact O-CB 3.37Å; L2014-E2018 PolarHBondContact O-N 3.34Å
2015L85.7Confident80.2Confident83 Ų83105.6 Ų105.644%0.43552%0.522SS..Hα-helixtrans-59.8-36.7177.4-175.666.5000112.2A2011 I2019A2011-L2015 WeakPolarHBondContact O-CB 3.12Å; A2011-L2015 PolarHBondContact O-N 3.5Å; L2015-I2019 HydrophobicContact CD1-CD1 4.39Å; L2015-I2019 HydrophobicContact CG-CD1 4.03Å; L2015-I2019 WeakPolarHBondContact O-CB 3.46Å; L2015-I2019 WeakPolarHBondContact O-CD1 3.36Å; L2015-I2019 WeakPolarHBondContact O-CG1 3.32Å; L2015-I2019 PolarHBondContact O-N 2.81Å
2016R84.1Confident80.7Confident173 Ų173110 Ų11065%0.65353%0.528SS*.Hα-helixtrans-65.9-45.8171.9-79.3-178.4179-154.82.3112.3F2012 K2013 L2014 E2018 I2019 E2020F2012-R2016 WeakPolarHBondContact O-CG 3.37Å; F2012-R2016 PolarHBondContact O-N 2.66Å; F2012-R2016 VanDerWaalsContact O-N 3.08Å; K2013-R2016 PolarHBondContact O-N 2.86Å; L2014-R2016 VanDerWaalsContact C-N 3.27Å; L2014-R2016 PolarHBondContact O-N 2.95Å; R2016-E2018 VanDerWaalsContact C-N 3.3Å; R2016-E2018 PolarHBondContact O-N 2.9Å; R2016-I2019 PolarHBondContact O-N 2.82Å; R2016-E2020 WeakPolarHBondContact O-CB 3.46Å; R2016-E2020 WeakPolarHBondContact O-CG 3.5Å; R2016-E2020 PolarHBondContact O-N 3.28Å
2017Q89.2Confident81.1Confident112 Ų112108 Ų10852%0.52352%0.52SS..Hα-helixtrans-62-37.1176.3-74.3179.8-35.100112.4K2013 L2014 K2021K2013-Q2017 WeakPolarHBondContact O-CG 3.45Å; K2013-Q2017 PolarHBondContact O-N 3.41Å; L2014-Q2017 PolarHBondContact O-N 3.09Å; L2014-Q2017 VanDerWaalsContact O-N 3.08Å; Q2017-K2021 VanDerWaalsContact O-CB 3.29Å; Q2017-K2021 WeakPolarHBondContact O-CB 3.18Å; Q2017-K2021 PolarHBondContact O-N 2.84Å
2018E87Confident81.3Confident129 Ų129107.2 Ų107.260%0.60351%0.514SS*.Hα-helixtrans-68.5-43.4175.3-173.7178-15600111.7L2014 R2016 K2021 A2022L2014-E2018 WeakPolarHBondContact O-CB 3.37Å; L2014-E2018 PolarHBondContact O-N 3.34Å; R2016-E2018 VanDerWaalsContact C-N 3.3Å; R2016-E2018 PolarHBondContact O-N 2.9Å; E2018-K2021 PolarHBondContact O-N 3.18Å; E2018-A2022 WeakPolarHBondContact O-CB 3.26Å; E2018-A2022 PolarHBondContact O-N 2.53Å
2019I87.9Confident81.4Confident91 Ų91106.2 Ų106.247%0.46752%0.518SS..Hα-helixtrans-61.7-44.9173.3-72.3165.6000110.8L2015 R2016 K2021 A2022 M2023L2015-I2019 HydrophobicContact CD1-CD1 4.39Å; L2015-I2019 HydrophobicContact CG-CD1 4.03Å; L2015-I2019 WeakPolarHBondContact O-CB 3.46Å; L2015-I2019 WeakPolarHBondContact O-CD1 3.36Å; L2015-I2019 WeakPolarHBondContact O-CG1 3.32Å; L2015-I2019 PolarHBondContact O-N 2.81Å; R2016-I2019 PolarHBondContact O-N 2.82Å; I2019-K2021 VanDerWaalsContact C-N 3.34Å; I2019-K2021 PolarHBondContact O-N 2.81Å; I2019-A2022 PolarHBondContact O-N 2.84Å; I2019-M2023 HydrophobicContact CG2-SD 4.09Å; I2019-M2023 WeakPolarHBondContact O-CB 3.48Å; I2019-M2023 VanDerWaalsContact O-CG 3.29Å; I2019-M2023 WeakPolarHBondContact O-CG 3.36Å; I2019-M2023 PolarHBondContact O-N 2.91Å
2020E89.5Confident80.9Confident112 Ų112110.8 Ų110.852%0.52353%0.53SS..Hα-helixtrans-64.8-36.5175.8-76.5179.4-170.400112.5R2016 M2023 R2024R2016-E2020 WeakPolarHBondContact O-CB 3.46Å; R2016-E2020 WeakPolarHBondContact O-CG 3.5Å; R2016-E2020 PolarHBondContact O-N 3.28Å; E2020-M2023 PolarHBondContact O-N 3.44Å; E2020-R2024 PolarHBondContact O-N 3.16Å
2021K88.2Confident80.6Confident119 Ų119109.5 Ų109.552%0.51754%0.535SS..Hα-helixtrans-63.3-53.2172-173.9-174.3172.5-1720110.3Q2017 E2018 I2019 M2023 R2024 D2025Q2017-K2021 VanDerWaalsContact O-CB 3.29Å; Q2017-K2021 WeakPolarHBondContact O-CB 3.18Å; Q2017-K2021 PolarHBondContact O-N 2.84Å; E2018-K2021 PolarHBondContact O-N 3.18Å; I2019-K2021 VanDerWaalsContact C-N 3.34Å; I2019-K2021 PolarHBondContact O-N 2.81Å; K2021-M2023 PolarHBondContact O-N 2.88Å; K2021-M2023 VanDerWaalsContact O-N 3.14Å; K2021-R2024 CarbonylContact O-C 3.42Å; K2021-R2024 WeakPolarHBondContact O-CA 3.24Å; K2021-R2024 WeakPolarHBondContact O-CB 3.46Å; K2021-R2024 PolarHBondContact O-N 3.46Å; K2021-D2025 WeakPolarHBondContact CG-OD2 3.36Å; K2021-D2025 WeakPolarHBondContact O-CB 3.41Å; K2021-D2025 PolarHBondContact O-N 2.81Å
2022A81.4Confident80Confident35 Ų35110.5 Ų110.529%0.28954%0.535SS..Hα-helixtrans-62.4-22.3176.900000113.7E2018 I2019 R2026E2018-A2022 WeakPolarHBondContact O-CB 3.26Å; E2018-A2022 PolarHBondContact O-N 2.53Å; I2019-A2022 PolarHBondContact O-N 2.84Å; A2022-R2026 VanDerWaalsContact O-CB 3.28Å; A2022-R2026 WeakPolarHBondContact O-CB 3.28Å; A2022-R2026 VanDerWaalsContact O-CG 3.24Å; A2022-R2026 WeakPolarHBondContact O-CG 3.43Å; A2022-R2026 PolarHBondContact O-N 3.07Å
2023M81.5Confident79.1Confident126 Ų126113.1 Ų113.162%0.62155%0.549SS*.Hα-helixtrans-77.8-41.6169.8-77.317962.800112.4I2019 E2020 K2021 A2027I2019-M2023 HydrophobicContact CG2-SD 4.09Å; I2019-M2023 WeakPolarHBondContact O-CB 3.48Å; I2019-M2023 VanDerWaalsContact O-CG 3.29Å; I2019-M2023 WeakPolarHBondContact O-CG 3.36Å; I2019-M2023 PolarHBondContact O-N 2.91Å; E2020-M2023 PolarHBondContact O-N 3.44Å; K2021-M2023 PolarHBondContact O-N 2.88Å; K2021-M2023 VanDerWaalsContact O-N 3.14Å; M2023-A2027 WeakPolarHBondContact O-CB 3.13Å; M2023-A2027 PolarHBondContact O-N 2.79Å
2024R84.6Confident77.6Confident141 Ų141112.3 Ų112.353%0.53255%0.55SS..Hα-helixtrans-62.9-46.3171.7-84.4179.7-84.3103.4-2.3111.7E2020 K2021 R2026 A2027 A2028E2020-R2024 PolarHBondContact O-N 3.16Å; K2021-R2024 CarbonylContact O-C 3.42Å; K2021-R2024 WeakPolarHBondContact O-CA 3.24Å; K2021-R2024 WeakPolarHBondContact O-CB 3.46Å; K2021-R2024 PolarHBondContact O-N 3.46Å; R2024-R2026 VanDerWaalsContact C-N 3.32Å; R2024-R2026 PolarHBondContact O-N 3.35Å; R2024-A2027 CarbonylContact O-C 3.59Å; R2024-A2027 WeakPolarHBondContact O-CA 3.24Å; R2024-A2027 WeakPolarHBondContact O-CB 3.4Å; R2024-A2027 PolarHBondContact O-N 3.32Å; R2024-A2028 PolarHBondContact O-N 2.87Å
2025D79.1Confident76.1Confident76 Ų76109.5 Ų109.541%0.40654%0.538SS..Hα-helixtrans-64.5-38.4-179.9-57.8-11.4000110.6K2021 A2027 A2028 L2029K2021-D2025 WeakPolarHBondContact CG-OD2 3.36Å; K2021-D2025 WeakPolarHBondContact O-CB 3.41Å; K2021-D2025 PolarHBondContact O-N 2.81Å; D2025-A2027 VanDerWaalsContact C-N 3.34Å; D2025-A2027 PolarHBondContact O-N 2.94Å; D2025-A2028 PolarHBondContact O-N 2.97Å; D2025-L2029 WeakPolarHBondContact O-CB 3.36Å; D2025-L2029 WeakPolarHBondContact O-CG 3.38Å; D2025-L2029 PolarHBondContact O-N 2.95Å
2026R72.7Confident74.9Confident160 Ų160111.5 Ų111.560%0.60455%0.549SS*.Hα-helixtrans-70.1-23170.3-80.7-176.6174.2113.30.2114.7A2022 R2024 R2030A2022-R2026 VanDerWaalsContact O-CB 3.28Å; A2022-R2026 WeakPolarHBondContact O-CB 3.28Å; A2022-R2026 VanDerWaalsContact O-CG 3.24Å; A2022-R2026 WeakPolarHBondContact O-CG 3.43Å; A2022-R2026 PolarHBondContact O-N 3.07Å; R2024-R2026 VanDerWaalsContact C-N 3.32Å; R2024-R2026 PolarHBondContact O-N 3.35Å; R2026-R2030 WeakPolarHBondContact O-CD 3.26Å; R2026-R2030 VanDerWaalsContact O-CG 3.28Å; R2026-R2030 WeakPolarHBondContact O-CG 3.46Å; R2026-R2030 PolarHBondContact O-N 2.91Å
2027A76.9Confident73.9Confident56 Ų56108.6 Ų108.646%0.46354%0.539SS..Hα-helixtrans-77.4-44.9172.300000110.3M2023 R2024 D2025 L2029 R2030 S2031M2023-A2027 WeakPolarHBondContact O-CB 3.13Å; M2023-A2027 PolarHBondContact O-N 2.79Å; R2024-A2027 CarbonylContact O-C 3.59Å; R2024-A2027 WeakPolarHBondContact O-CA 3.24Å; R2024-A2027 WeakPolarHBondContact O-CB 3.4Å; R2024-A2027 PolarHBondContact O-N 3.32Å; D2025-A2027 VanDerWaalsContact C-N 3.34Å; D2025-A2027 PolarHBondContact O-N 2.94Å; A2027-L2029 PolarHBondContact O-N 3.15Å; A2027-R2030 WeakPolarHBondContact O-CB 3.24Å; A2027-R2030 PolarHBondContact O-N 3.41Å; A2027-R2030 VanDerWaalsContact O-N 3.09Å; A2027-S2031 PolarHBondContact O-N 3.17Å; A2027-S2031 VanDerWaalsContact O-N 3.12Å; A2027-S2031 PolarHBondContact O-OG 3.19Å
2028A76.4Confident72.5Confident50 Ų50108.7 Ų108.741%0.41354%0.538SS..Hα-helixtrans-55.8-51.7173.200000111.3R2024 D2025 R2030 S2031 T2032R2024-A2028 PolarHBondContact O-N 2.87Å; D2025-A2028 PolarHBondContact O-N 2.97Å; A2028-R2030 PolarHBondContact O-N 3.3Å; A2028-R2030 VanDerWaalsContact O-N 3.09Å; A2028-S2031 WeakPolarHBondContact CA-OG 3.24Å; A2028-S2031 WeakPolarHBondContact O-CA 3.19Å; A2028-S2031 PolarHBondContact O-N 3.01Å; A2028-S2031 PolarHBondContact O-OG 3.09Å; A2028-T2032 PolarHBondContact O-N 3.34Å; A2028-T2032 PolarHBondContact O-OG1 3.02Å
2029L61.4Low71.7Confident114 Ų114112.5 Ų112.560%0.59755%0.547SS*.Hα-helixtrans-61.7-17177.3-74.9170.2000114.8D2025 A2027 T2032D2025-L2029 WeakPolarHBondContact O-CB 3.36Å; D2025-L2029 WeakPolarHBondContact O-CG 3.38Å; D2025-L2029 PolarHBondContact O-N 2.95Å; A2027-L2029 PolarHBondContact O-N 3.15Å; L2029-T2032 WeakPolarHBondContact CA-OG1 3.13Å; L2029-T2032 PolarHBondContact O-OG1 3.47Å
2030R67.1Low71Confident213 Ų213108.6 Ų108.680%0.80453%0.528SS*.Hα-helixtrans-90-22.8171.7-76.6172.3178163.31.1113.4R2026 A2027 A2028R2026-R2030 WeakPolarHBondContact O-CD 3.26Å; R2026-R2030 VanDerWaalsContact O-CG 3.28Å; R2026-R2030 WeakPolarHBondContact O-CG 3.46Å; R2026-R2030 PolarHBondContact O-N 2.91Å; A2027-R2030 WeakPolarHBondContact O-CB 3.24Å; A2027-R2030 PolarHBondContact O-N 3.41Å; A2027-R2030 VanDerWaalsContact O-N 3.09Å; A2028-R2030 PolarHBondContact O-N 3.3Å; A2028-R2030 VanDerWaalsContact O-N 3.09Å
2031S73.5Confident70.2Confident95 Ų95111.8 Ų111.866%0.66454%0.543SS*.Hα-helixtrans-87.2-29.1173.8570000113A2027 A2028 H2033A2027-S2031 PolarHBondContact O-N 3.17Å; A2027-S2031 VanDerWaalsContact O-N 3.12Å; A2027-S2031 PolarHBondContact O-OG 3.19Å; A2028-S2031 WeakPolarHBondContact CA-OG 3.24Å; A2028-S2031 WeakPolarHBondContact O-CA 3.19Å; A2028-S2031 PolarHBondContact O-N 3.01Å; A2028-S2031 PolarHBondContact O-OG 3.09Å; S2031-H2033 PolarHBondContact O-N 2.97Å; S2031-H2033 VanDerWaalsContact O-N 3.13Å
2032T68.2Low69.7Low74 Ų74112.4 Ų112.445%0.45455%0.547SS..SBendtrans-72.3103.417152.70000109.3A2028 L2029 I2034A2028-T2032 PolarHBondContact O-N 3.34Å; A2028-T2032 PolarHBondContact O-OG1 3.02Å; L2029-T2032 WeakPolarHBondContact CA-OG1 3.13Å; L2029-T2032 PolarHBondContact O-OG1 3.47Å; T2032-I2034 PolarHBondContact O-N 3Å
2033H58.1Low69.5Low164 Ų164110.8 Ų110.876%0.75953%0.534SS*.  trans-67.695.3167.5176.7-72.3000108.8S2031 P2035S2031-H2033 PolarHBondContact O-N 2.97Å; S2031-H2033 VanDerWaalsContact O-N 3.13Å; H2033-P2035 WeakPolarHBondContact O-CD 3.43Å
2034I53.4Low69.1Low126 Ų126108.7 Ų108.765%0.64652%0.524SS*.  trans-74.8108.4172.1-58.5168.4000107T2032T2032-I2034 PolarHBondContact O-N 3Å
2035P52.8Low68.7Low51 Ų51103.7 Ų103.733%0.33152%0.517SS..  trans-64.5140.7171.830-34.3000109.1H2033 Y2037H2033-P2035 WeakPolarHBondContact O-CD 3.43Å; P2035-Y2037 PolarHBondContact O-N 2.85Å
2036N59.1Low68.7Low124 Ų124104.1 Ų104.166%0.66352%0.515SS*.  trans-55.1138.2167.6-172.43.5000108.7F2038 R2039 S2040N2036-F2038 VanDerWaalsContact C-N 3.32Å; N2036-F2038 PolarHBondContact O-N 2.88Å; N2036-F2038 VanDerWaalsContact O-N 3.11Å; N2036-R2039 CarbonylContact O-C 3.47Å; N2036-R2039 WeakPolarHBondContact O-CA 3.3Å; N2036-R2039 WeakPolarHBondContact O-CB 3.33Å; N2036-R2039 PolarHBondContact O-N 3.1Å; N2036-S2040 PolarHBondContact O-N 2.98Å
2037Y63.3Low68.6Low113 Ų113100.3 Ų100.344%0.44351%0.506SS..G310 helixtrans-49.4-47.4-163.6178-108.8000113.5P2035 R2039 S2040 E2042 G2043P2035-Y2037 PolarHBondContact O-N 2.85Å; Y2037-R2039 PolarHBondContact O-N 2.96Å; Y2037-S2040 WeakPolarHBondContact O-CA 3.46Å; Y2037-S2040 WeakPolarHBondContact O-CB 3.41Å; Y2037-S2040 PolarHBondContact O-N 2.86Å; Y2037-S2040 PolarHBondContact O-OG 3.07Å; Y2037-S2040 VanDerWaalsContact O-OG 3.07Å; Y2037-E2042 HydrophobicContact CE2-CB 4Å; Y2037-G2043 WeakPolarHBondContact O-CA 3.36Å; Y2037-G2043 PolarHBondContact O-N 2.81Å
2038F60.6Low68.2Low114 Ų114102.5 Ų102.550%0.551%0.51SS..G310 helixtrans-66.1-2177.9-56.8-73000115.7N2036 L2047N2036-F2038 VanDerWaalsContact C-N 3.32Å; N2036-F2038 PolarHBondContact O-N 2.88Å; N2036-F2038 VanDerWaalsContact O-N 3.11Å; F2038-L2047 HydrophobicContact CB-CD1 4.15Å; F2038-L2047 HydrophobicContact CD1-CD1 4.1Å; F2038-L2047 HydrophobicContact CD1-CD2 4.32Å; F2038-L2047 HydrophobicContact CD1-CG 4.18Å
2039R69.2Low68Low209 Ų209104.2 Ų104.279%0.78952%0.519SS*.G310 helixtrans-116.7-2.6167.1-70.2-170.7176.8-170.3-0.6113.2N2036 Y2037N2036-R2039 CarbonylContact O-C 3.47Å; N2036-R2039 WeakPolarHBondContact O-CA 3.3Å; N2036-R2039 WeakPolarHBondContact O-CB 3.33Å; N2036-R2039 PolarHBondContact O-N 3.1Å; Y2037-R2039 PolarHBondContact O-N 2.96Å
2040S74.1Confident68Low9 Ų9104.4 Ų104.46%0.06352%0.516CS..SBendtrans-72.1162.5166.591.10000109.6N2036 Y2037 E2042 G2043 I2044N2036-S2040 PolarHBondContact O-N 2.98Å; Y2037-S2040 WeakPolarHBondContact O-CA 3.46Å; Y2037-S2040 WeakPolarHBondContact O-CB 3.41Å; Y2037-S2040 PolarHBondContact O-N 2.86Å; Y2037-S2040 PolarHBondContact O-OG 3.07Å; Y2037-S2040 VanDerWaalsContact O-OG 3.07Å; S2040-E2042 VanDerWaalsContact CB-OE2 3.24Å; S2040-E2042 WeakPolarHBondContact CB-OE2 3.19Å; S2040-E2042 PolarHBondContact O-N 3.13Å; S2040-E2042 PolarHBondContact OG-N 2.72Å; S2040-E2042 PolarHBondContact OG-OE2 3.05Å; S2040-G2043 PolarHBondContact O-N 3.3Å; S2040-G2043 PolarHBondContact OG-N 2.86Å; S2040-G2043 VanDerWaalsContact OG-N 3.14Å; S2040-I2044 WeakPolarHBondContact O-CB 3.33Å; S2040-I2044 VanDerWaalsContact O-CG1 3.31Å; S2040-I2044 WeakPolarHBondContact O-CG1 3.4Å; S2040-I2044 PolarHBondContact O-N 2.88Å
2041Q73.3Confident67.7Low179 Ų17999 Ų9984%0.83650%0.502SS*.Hα-helixtrans-64.9-30.4177.8-162.11691.500111.3G2045Q2041-G2045 PolarHBondContact O-N 3.3Å; Q2041-G2045 VanDerWaalsContact O-N 3.07Å
2042E77.2Confident66.4Low132 Ų132100.1 Ų100.162%0.61751%0.508SS*.Hα-helixtrans-70.5-47.2173.1-51.199.2157.700112.5Y2037 S2040 G2045 F2046Y2037-E2042 HydrophobicContact CE2-CB 4Å; S2040-E2042 VanDerWaalsContact CB-OE2 3.24Å; S2040-E2042 WeakPolarHBondContact CB-OE2 3.19Å; S2040-E2042 PolarHBondContact O-N 3.13Å; S2040-E2042 PolarHBondContact OG-N 2.72Å; S2040-E2042 PolarHBondContact OG-OE2 3.05Å; E2042-G2045 CarbonylContact O-C 3.58Å; E2042-G2045 WeakPolarHBondContact O-CA 3.49Å; E2042-G2045 PolarHBondContact O-N 3.05Å; E2042-G2045 VanDerWaalsContact O-N 3.13Å; E2042-F2046 PolarHBondContact O-N 2.88Å
2043G77.7Confident65.6Low0 Ų0101.6 Ų101.60%051%0.513CS..Hα-helixtrans-73.3-27.8-178.200000113.9Y2037 S2040 L2047Y2037-G2043 WeakPolarHBondContact O-CA 3.36Å; Y2037-G2043 PolarHBondContact O-N 2.81Å; S2040-G2043 PolarHBondContact O-N 3.3Å; S2040-G2043 PolarHBondContact OG-N 2.86Å; S2040-G2043 VanDerWaalsContact OG-N 3.14Å; G2043-L2047 WeakPolarHBondContact O-CG 3.41Å; G2043-L2047 PolarHBondContact O-N 2.87Å
2044I71.5Confident65.1Low82 Ų8295.9 Ų95.942%0.42149%0.489SS..Hα-helixtrans-67.5-41.2166.1-66.7169.4000110S2040 F2046 L2047 L2048S2040-I2044 WeakPolarHBondContact O-CB 3.33Å; S2040-I2044 VanDerWaalsContact O-CG1 3.31Å; S2040-I2044 WeakPolarHBondContact O-CG1 3.4Å; S2040-I2044 PolarHBondContact O-N 2.88Å; I2044-F2046 VanDerWaalsContact C-N 3.35Å; I2044-F2046 PolarHBondContact O-N 3.48Å; I2044-L2047 PolarHBondContact O-N 3.12Å; I2044-L2048 HydrophobicContact CG2-CD1 4Å; I2044-L2048 HydrophobicContact CG2-CG 4.5Å; I2044-L2048 WeakPolarHBondContact O-CB 3.31Å; I2044-L2048 WeakPolarHBondContact O-CG 3.35Å; I2044-L2048 PolarHBondContact O-N 2.82Å
2045G78.1Confident64.6Low37 Ų3798.8 Ų98.838%0.38150%0.497SS..Hα-helixtrans-58.9-43.2172.600000112.9Q2041 E2042 L2048 S2049Q2041-G2045 PolarHBondContact O-N 3.3Å; Q2041-G2045 VanDerWaalsContact O-N 3.07Å; E2042-G2045 CarbonylContact O-C 3.58Å; E2042-G2045 WeakPolarHBondContact O-CA 3.49Å; E2042-G2045 PolarHBondContact O-N 3.05Å; E2042-G2045 VanDerWaalsContact O-N 3.13Å; G2045-L2048 PolarHBondContact O-N 2.86Å; G2045-S2049 PolarHBondContact O-N 3.49Å
2046F78.2Confident64.3Low85 Ų85103.9 Ų103.937%0.37351%0.514SS..Hα-helixtrans-61.9-48.5174.3176.9-96.4000111.9E2042 I2044 L2048 S2049 Q2050E2042-F2046 PolarHBondContact O-N 2.88Å; I2044-F2046 VanDerWaalsContact C-N 3.35Å; I2044-F2046 PolarHBondContact O-N 3.48Å; F2046-L2048 VanDerWaalsContact C-N 3.27Å; F2046-L2048 PolarHBondContact O-N 3.41Å; F2046-S2049 WeakPolarHBondContact CA-OG 3.31Å; F2046-S2049 PolarHBondContact O-N 3.4Å; F2046-S2049 VanDerWaalsContact O-N 3.08Å; F2046-S2049 PolarHBondContact O-OG 3.34Å; F2046-Q2050 HydrophobicContact CD1-CG 4.43Å; F2046-Q2050 HydrophobicContact CE1-CG 4.07Å; F2046-Q2050 HydrophobicContact CE2-CG 4.49Å; F2046-Q2050 HydrophobicContact CZ-CG 4.11Å; F2046-Q2050 WeakPolarHBondContact O-CG 3.43Å; F2046-Q2050 PolarHBondContact O-N 2.91Å; F2046-Q2050 VanDerWaalsContact O-N 3.13Å
2047L70Confident63.4Low80 Ų80103.9 Ų103.942%0.41951%0.514SS..Hα-helixtrans-61.2-36.1176.5-73171.1000112.2F2038 G2043 I2044 Q2050F2038-L2047 HydrophobicContact CB-CD1 4.15Å; F2038-L2047 HydrophobicContact CD1-CD1 4.1Å; F2038-L2047 HydrophobicContact CD1-CD2 4.32Å; F2038-L2047 HydrophobicContact CD1-CG 4.18Å; G2043-L2047 WeakPolarHBondContact O-CG 3.41Å; G2043-L2047 PolarHBondContact O-N 2.87Å; I2044-L2047 PolarHBondContact O-N 3.12Å; L2047-Q2050 PolarHBondContact O-N 2.68Å
2048L69Low62.2Low102 Ų102103 Ų10353%0.53452%0.524SS..Hα-helixtrans-71.7-28.3174.2-72.1170.3000113.2I2044 G2045 F2046 V2054I2044-L2048 HydrophobicContact CG2-CD1 4Å; I2044-L2048 HydrophobicContact CG2-CG 4.5Å; I2044-L2048 WeakPolarHBondContact O-CB 3.31Å; I2044-L2048 WeakPolarHBondContact O-CG 3.35Å; I2044-L2048 PolarHBondContact O-N 2.82Å; G2045-L2048 PolarHBondContact O-N 2.86Å; F2046-L2048 VanDerWaalsContact C-N 3.27Å; F2046-L2048 PolarHBondContact O-N 3.41Å; L2048-V2054 HydrophobicContact CD2-CG1 4.41Å
2049S73.1Confident61.1Low86 Ų86106.7 Ų106.760%0.60154%0.54SS*.Hα-helixtrans-75.4-24.3174.2650000113.4G2045 F2046 I2051G2045-S2049 PolarHBondContact O-N 3.49Å; F2046-S2049 WeakPolarHBondContact CA-OG 3.31Å; F2046-S2049 PolarHBondContact O-N 3.4Å; F2046-S2049 VanDerWaalsContact O-N 3.08Å; F2046-S2049 PolarHBondContact O-OG 3.34Å; S2049-I2051 VanDerWaalsContact C-N 3.28Å; S2049-I2051 PolarHBondContact O-N 3.46Å
2050Q61.4Low59.4Low117 Ų117103.5 Ų103.555%0.54754%0.537SS..THydrogen-bonded Turntrans-79.5-3.2178.3-65-63.5-15.500113.9F2046 L2047F2046-Q2050 HydrophobicContact CD1-CG 4.43Å; F2046-Q2050 HydrophobicContact CE1-CG 4.07Å; F2046-Q2050 HydrophobicContact CE2-CG 4.49Å; F2046-Q2050 HydrophobicContact CZ-CG 4.11Å; F2046-Q2050 WeakPolarHBondContact O-CG 3.43Å; F2046-Q2050 PolarHBondContact O-N 2.91Å; F2046-Q2050 VanDerWaalsContact O-N 3.13Å; L2047-Q2050 PolarHBondContact O-N 2.68Å
2051I59.9Low57.2Low99 Ų99109.5 Ų109.551%0.50857%0.573SS.*SBendtrans-122105.6-178.9-53.8176.7000110.3S2049 V2054S2049-I2051 VanDerWaalsContact C-N 3.28Å; S2049-I2051 PolarHBondContact O-N 3.46Å; I2051-V2054 HydrophobicContact CB-CG2 3.72Å; I2051-V2054 HydrophobicContact CG2-CG2 3.51Å; I2051-V2054 WeakPolarHBondContact O-CG2 3.27Å
2052P46.3Very low55.2Low119 Ų119106.1 Ų106.177%0.77357%0.567SS**THydrogen-bonded Turntrans-60.3142.8169.7-24.735.4000113.2V2054P2052-V2054 PolarHBondContact O-N 2.54Å
2053D52Low52.7Low105 Ų105109.2 Ų109.256%0.56158%0.581SS**THydrogen-bonded Turntrans62.627.7168.5-14131.5000118.4K2055 K2056D2053-K2055 PolarHBondContact O-N 2.79Å; D2053-K2056 PolarHBondContact O-N 3.47Å; D2053-K2056 IonicContact OD2-NZ 2.84Å; D2053-K2056 PolarHBondContact OD2-NZ 3.35Å; D2053-K2056 VanDerWaalsContact OD2-NZ 3.09Å
2054V47Very low50.1Low44 Ų44117 Ų11727%0.26762%0.622SS.*G310 helixtrans-51.9-19174.2179.50000114.4L2048 I2051 P2052 K2056 L2057L2048-V2054 HydrophobicContact CD2-CG1 4.41Å; I2051-V2054 HydrophobicContact CB-CG2 3.72Å; I2051-V2054 HydrophobicContact CG2-CG2 3.51Å; I2051-V2054 WeakPolarHBondContact O-CG2 3.27Å; P2052-V2054 PolarHBondContact O-N 2.54Å; V2054-K2056 PolarHBondContact O-N 2.94Å; V2054-L2057 PolarHBondContact O-N 3.5Å
2055K43.4Very low47.9Very low188 Ų188118.9 Ų118.982%0.81764%0.643SS**G310 helixtrans-56.7-15.4180-76.6-176.9177.9174.20115.3D2053D2053-K2055 PolarHBondContact O-N 2.79Å
2056K46.5Very low45.3Very low158 Ų158125.1 Ų125.169%0.68767%0.667SS**G310 helixtrans-88.7-24.2172.1-76.3171.6-175.1140.10114.5D2053 V2054D2053-K2056 PolarHBondContact O-N 3.47Å; D2053-K2056 IonicContact OD2-NZ 2.84Å; D2053-K2056 PolarHBondContact OD2-NZ 3.35Å; D2053-K2056 VanDerWaalsContact OD2-NZ 3.09Å; V2054-K2056 PolarHBondContact O-N 2.94Å
2057L39.9Very low42.9Very low124 Ų124126.8 Ų126.865%0.64969%0.69SS**THydrogen-bonded Turntrans-88-22.9-174.1-69.4172.3000113.5V2054 K2059 L2060V2054-L2057 PolarHBondContact O-N 3.5Å; L2057-K2059 PolarHBondContact O-N 3.09Å; L2057-L2060 PolarHBondContact O-N 2.79Å
2058S38.2Very low40.8Very low94 Ų94129.2 Ų129.266%0.65771%0.71SS**THydrogen-bonded Turntrans-68.517.4-175.959.40000116.4
2059K37.6Very low38.6Very low191 Ų191129.9 Ų129.983%0.8372%0.724SS**THydrogen-bonded Turntrans-123.41.2179.6-76.9-165.9173.3-172.90115.5L2057L2057-K2059 PolarHBondContact O-N 3.09Å
2060L32.7Very low36.2Very low142 Ų142134.8 Ų134.874%0.74373%0.729SS**SBendtrans-120.2-0.3-167.1-74.5174.2000117.1L2057L2057-L2060 PolarHBondContact O-N 2.79Å
2061V28Very low34.6Very low135 Ų135137.2 Ų137.282%0.81875%0.746SS**  trans-133108174.6-173.50000110.4
2062P30.9Very low33.1Very low109 Ų109137.9 Ų137.971%0.70876%0.756SS**  trans-71.5156.8173.7-19.433.6000113.5
2063E25.4Very low32.1Very low196 Ų196141.6 Ų141.692%0.91676%0.76SS**  trans-73.7140.2177.3-56.8175.713300111.9
2064L23.7Very low30.7Very low163 Ų163142.5 Ų142.585%0.85377%0.772SS**  trans-125.5132.4161.8-87.994.7000110.7
2065S25.3Very low29.6Very low123 Ų123147.3 Ų147.386%0.8680%0.796SS**  trans-88.8140.6-177.7490000112.2
2066N24Very low28.7Very low167 Ų167145 Ų14589%0.89379%0.793SS**  trans-104.6140.2174.9-78.9-62.1000111
2067S26.4Very low27.6Very low120 Ų120147 Ų14784%0.83980%0.802SS**  trans-147.6151.6163.964.50000111.6
2068P26.8Very low26.8Very low132 Ų132146.7 Ų146.786%0.85781%0.81SS**  trans-123.6155.7-159.739.5-25.1000116.8
2069S22.5Very low26.2Very low116 Ų116150.1 Ų150.181%0.81182%0.821SS**  trans-168.1156.1178.7-175.20000110.8
2070R23.1Very low25.6Very low188 Ų188149.1 Ų149.171%0.70983%0.825SS**  cis-170.794.7-30176.6-174.1179.4-167.11.8108.9P2072R2070-P2072 VanDerWaalsContact O-CD 3.28Å; R2070-P2072 WeakPolarHBondContact O-CD 3.44Å
2071N27.6Very low25Very low169 Ų169153.4 Ų153.490%0.90483%0.831SS**  trans-72.4134.8-173.8-76.9-9.5000116
2072P27.4Very low24.9Very low112 Ų112153 Ų15373%0.72783%0.834SS**  trans-125.7176.4131.540.3-30.9000110.2R2070R2070-P2072 VanDerWaalsContact O-CD 3.28Å; R2070-P2072 WeakPolarHBondContact O-CD 3.44Å
2073K25.7Very low24.6Very low197 Ų197153.5 Ų153.586%0.85784%0.835SS**  cis-156.1149.9-12-127.3179.5177.6-179.80107.5
2074P23.2Very low24.7Very low124 Ų124152 Ų15281%0.80583%0.828SS**  trans-96.2163.5-179.937.4-34.8000114.1
2075N22.8Very low25Very low146 Ų146148.8 Ų148.878%0.78181%0.814SS**  trans-145.9173.4166.6-163.929.3000111.5
2076D25.2Very low25.6Very low139 Ų139146.4 Ų146.474%0.74380%0.796SS**  trans76159.3172.2-75.5-46.4000120.2
2077K23Very low26Very low200 Ų200145.3 Ų145.387%0.8779%0.79SS**  trans-132.2139.3-156.4-53.6164.2-174165.80110.5
2078S23.9Very low26.7Very low118 Ų118145.3 Ų145.383%0.82578%0.78SS**  trans-150.4170160.764.60000110.8
2079N24.6Very low27.4Very low166 Ų166141.5 Ų141.589%0.88876%0.76SS**  trans-83.8137.8-153.7-70.3-39.5000115.3R2081N2079-R2081 PolarHBondContact O-N 2.95Å
2080N24.9Very low28.5Very low170 Ų170138.4 Ų138.491%0.90974%0.736SS**  trans-72.8115.3169.3-70.6-57.5000111
2081R21.5Very low29.6Very low232 Ų232132.3 Ų132.388%0.87573%0.726SS**  trans-114.2116155.7-160174.1-171.2-179.82.3108N2079 T2083N2079-R2081 PolarHBondContact O-N 2.95Å; R2081-T2083 PolarHBondContact O-N 3.48Å
2082S25.9Very low30.4Very low127 Ų127128.2 Ų128.289%0.88870%0.704SS**  trans-74.683.7-167174.90000112.9
2083T24.7Very low31.4Very low118 Ų118123.8 Ų123.872%0.72468%0.677SS**PPolyproline II helixtrans-80.1136.6172.441.80000112.7R2081 V2085R2081-T2083 PolarHBondContact O-N 3.48Å; T2083-V2085 PolarHBondContact O-N 2.72Å
2084H27.5Very low32.2Very low166 Ų166120.8 Ų120.877%0.76966%0.663SS**PPolyproline II helixtrans-67119.2177.4169.1-85.1000110.9P2086H2084-P2086 WeakPolarHBondContact O-CD 3.45Å
2085V28.1Very low33.2Very low94 Ų94122.5 Ų122.557%0.5766%0.661SS**PPolyproline II helixtrans-80.2116.8-179.3179.80000110.4T2083 A2089T2083-V2085 PolarHBondContact O-N 2.72Å; V2085-A2089 HydrophobicContact CG1-CB 3.84Å
2086P38.2Very low34.4Very low74 Ų74122.6 Ų122.648%0.48165%0.654SS.*PPolyproline II helixtrans-65.9155.5177.4-20.434.4000112.8H2084 D2088 A2089H2084-P2086 WeakPolarHBondContact O-CD 3.45Å; P2086-D2088 PolarHBondContact O-N 3.43Å; P2086-D2088 VanDerWaalsContact O-N 3.16Å; P2086-A2089 PolarHBondContact O-N 3.24Å
2087L33.6Very low35.2Very low144 Ų144124.6 Ų124.675%0.75466%0.659SS**Hα-helixtrans-60.3-29.4-174.7-84.575.8000113.3A2089 V2090 A2091L2087-A2089 VanDerWaalsContact C-N 3.27Å; L2087-A2089 PolarHBondContact O-N 2.65Å; L2087-V2090 WeakPolarHBondContact O-CA 3.43Å; L2087-V2090 WeakPolarHBondContact O-CB 3.22Å; L2087-V2090 PolarHBondContact O-N 2.81Å; L2087-A2091 PolarHBondContact O-N 3.05Å; L2087-A2091 VanDerWaalsContact O-N 3.11Å
2088D39.5Very low36Very low119 Ų119120.4 Ų120.464%0.63665%0.645SS**Hα-helixtrans-63.3-33.5-175.9-53.5-48.1000112P2086 V2090 A2091 L2092P2086-D2088 PolarHBondContact O-N 3.43Å; P2086-D2088 VanDerWaalsContact O-N 3.16Å; D2088-V2090 PolarHBondContact O-N 3.08Å; D2088-A2091 WeakPolarHBondContact O-CB 3.45Å; D2088-A2091 PolarHBondContact O-N 3.27Å; D2088-A2091 VanDerWaalsContact O-N 3.11Å; D2088-L2092 WeakPolarHBondContact O-CB 3.48Å; D2088-L2092 PolarHBondContact O-N 2.92Å
2089A41.8Very low36.8Very low53 Ų53126.4 Ų126.444%0.43865%0.65SS.*Hα-helixtrans-61.3-32173.100000112.4V2085 P2086 L2087 A2093V2085-A2089 HydrophobicContact CG1-CB 3.84Å; P2086-A2089 PolarHBondContact O-N 3.24Å; L2087-A2089 VanDerWaalsContact C-N 3.27Å; L2087-A2089 PolarHBondContact O-N 2.65Å; A2089-A2093 WeakPolarHBondContact O-CB 3.3Å; A2089-A2093 PolarHBondContact O-N 3.14Å
2090V47.3Very low37.2Very low51 Ų51119.8 Ų119.831%0.30962%0.616SS.*Hα-helixtrans-78.3-31.5176.3-175.70000111.4L2087 D2088 K2094L2087-V2090 WeakPolarHBondContact O-CA 3.43Å; L2087-V2090 WeakPolarHBondContact O-CB 3.22Å; L2087-V2090 PolarHBondContact O-N 2.81Å; D2088-V2090 PolarHBondContact O-N 3.08Å; V2090-K2094 PolarHBondContact O-N 2.81Å
2091A45.5Very low37.6Very low60 Ų60114.5 Ų114.550%0.49659%0.59SS.*Hα-helixtrans-69.3-49.5172.300000111.5L2087 D2088 A2093 K2094 Q2095L2087-A2091 PolarHBondContact O-N 3.05Å; L2087-A2091 VanDerWaalsContact O-N 3.11Å; D2088-A2091 WeakPolarHBondContact O-CB 3.45Å; D2088-A2091 PolarHBondContact O-N 3.27Å; D2088-A2091 VanDerWaalsContact O-N 3.11Å; A2091-A2093 PolarHBondContact O-N 3.12Å; A2091-K2094 WeakPolarHBondContact O-CA 3.44Å; A2091-K2094 WeakPolarHBondContact O-CB 3.45Å; A2091-K2094 PolarHBondContact O-N 3.01Å; A2091-Q2095 PolarHBondContact O-N 3.25Å
2092L43.2Very low38.1Very low83 Ų83112.8 Ų112.844%0.43559%0.589SS.*Hα-helixtrans-65.6-37.4179.9-140.7167.2000111.3D2088 K2094 Q2095 K2096D2088-L2092 WeakPolarHBondContact O-CB 3.48Å; D2088-L2092 PolarHBondContact O-N 2.92Å; L2092-K2094 VanDerWaalsContact C-N 3.34Å; L2092-K2094 PolarHBondContact O-N 3.19Å; L2092-Q2095 PolarHBondContact O-N 2.84Å; L2092-K2096 HydrophobicContact CD2-CD 3.81Å; L2092-K2096 HydrophobicContact CD2-CG 4.2Å; L2092-K2096 PolarHBondContact O-N 3.32Å
2093A48.9Very low38.6Very low19 Ų19115.6 Ų115.616%0.15758%0.582CS.*Hα-helixtrans-59.4-42169.600000112.3A2089 A2091 K2096 Q2097 L2098 V2100A2089-A2093 WeakPolarHBondContact O-CB 3.3Å; A2089-A2093 PolarHBondContact O-N 3.14Å; A2091-A2093 PolarHBondContact O-N 3.12Å; A2093-K2096 CarbonylContact O-C 3.31Å; A2093-K2096 PolarHBondContact O-N 2.85Å; A2093-Q2097 PolarHBondContact O-N 3.3Å; A2093-Q2097 VanDerWaalsContact O-N 3.17Å; A2093-L2098 HydrophobicContact CB-CB 4.29Å; A2093-L2098 WeakPolarHBondContact O-CB 3.48Å; A2093-L2098 PolarHBondContact O-N 2.9Å; A2093-V2100 HydrophobicContact CB-CG2 3.79Å
2094K42.6Very low38.9Very low133 Ų133114.2 Ų114.258%0.57857%0.57SS**Hα-helixtrans-68.2-39.1174.9-82.7-178176.5176.20113.1V2090 A2091 L2092 K2096 Q2097V2090-K2094 PolarHBondContact O-N 2.81Å; A2091-K2094 WeakPolarHBondContact O-CA 3.44Å; A2091-K2094 WeakPolarHBondContact O-CB 3.45Å; A2091-K2094 PolarHBondContact O-N 3.01Å; L2092-K2094 VanDerWaalsContact C-N 3.34Å; L2092-K2094 PolarHBondContact O-N 3.19Å; K2094-K2096 VanDerWaalsContact C-N 3.27Å; K2094-K2096 PolarHBondContact O-N 3.21Å; K2094-Q2097 WeakPolarHBondContact O-CA 3.44Å; K2094-Q2097 PolarHBondContact O-N 2.97Å
2095Q44.5Very low39.2Very low161 Ų161113.1 Ų113.175%0.75256%0.56SS**Hα-helixtrans-60-40.6175.7-167.8-177.314.800110.8A2091 L2092 Q2097A2091-Q2095 PolarHBondContact O-N 3.25Å; L2092-Q2095 PolarHBondContact O-N 2.84Å; Q2095-Q2097 PolarHBondContact O-N 3.22Å
2096K48Very low39.1Very low148 Ų148113.4 Ų113.464%0.64357%0.572SS**THydrogen-bonded Turntrans-82.412172.8-64.4-177.2175.9179.40114L2092 A2093 K2094 L2098L2092-K2096 HydrophobicContact CD2-CD 3.81Å; L2092-K2096 HydrophobicContact CD2-CG 4.2Å; L2092-K2096 PolarHBondContact O-N 3.32Å; A2093-K2096 CarbonylContact O-C 3.31Å; A2093-K2096 PolarHBondContact O-N 2.85Å; K2094-K2096 VanDerWaalsContact C-N 3.27Å; K2094-K2096 PolarHBondContact O-N 3.21Å; K2096-L2098 HydrophobicContact CB-CD1 4.31Å; K2096-L2098 HydrophobicContact CB-CG 4.14Å; K2096-L2098 PolarHBondContact O-N 2.88Å
2097Q42.5Very low38.4Very low181 Ų181119.3 Ų119.385%0.84659%0.59SS**THydrogen-bonded Turntrans5023-177.3-57.2-165.52500116.1A2093 K2094 Q2095A2093-Q2097 PolarHBondContact O-N 3.3Å; A2093-Q2097 VanDerWaalsContact O-N 3.17Å; K2094-Q2097 WeakPolarHBondContact O-CA 3.44Å; K2094-Q2097 PolarHBondContact O-N 2.97Å; Q2095-Q2097 PolarHBondContact O-N 3.22Å
2098L39.7Very low37.9Very low111 Ų111122.8 Ų122.858%0.58159%0.593SS**  trans-71.8131.3178-62.4176.5000110.7A2093 K2096 V2100A2093-L2098 HydrophobicContact CB-CB 4.29Å; A2093-L2098 WeakPolarHBondContact O-CB 3.48Å; A2093-L2098 PolarHBondContact O-N 2.9Å; K2096-L2098 HydrophobicContact CB-CD1 4.31Å; K2096-L2098 HydrophobicContact CB-CG 4.14Å; K2096-L2098 PolarHBondContact O-N 2.88Å; L2098-V2100 PolarHBondContact O-N 2.84Å
2099R40.9Very low37.2Very low244 Ų244122.9 Ų122.992%0.92160%0.6SS**  trans-79.885.4-173.4-175.2175.1171.1155.9-7112P2101R2099-P2101 WeakPolarHBondContact O-CD 3.18Å
2100V33.2Very low36.3Very low27 Ų27125.3 Ų125.316%0.16461%0.614CS.*  trans-54.6124.5174.1-178.80000111.4A2093 L2098 L2104 Y2105A2093-V2100 HydrophobicContact CB-CG2 3.79Å; L2098-V2100 PolarHBondContact O-N 2.84Å; V2100-L2104 HydrophobicContact CG1-CB 3.73Å; V2100-L2104 HydrophobicContact CG1-CD1 4.14Å; V2100-Y2105 HydrophobicContact CG1-CE2 4.5Å
2101P32.9Very low35.1Very low59 Ų59130 Ų13038%0.38364%0.636SS.*  trans-61.5149.9178.1-28.136.6000114.8R2099 Y2103 L2104R2099-P2101 WeakPolarHBondContact O-CD 3.18Å; P2101-Y2103 HydrophobicContact CB-CD1 3.92Å; P2101-Y2103 HydrophobicContact CB-CE1 3.57Å; P2101-Y2103 HydrophobicContact CG-CE1 4.33Å; P2101-Y2103 PolarHBondContact O-N 2.78Å; P2101-L2104 PolarHBondContact O-N 2.83Å
2102K31Very low33.9Very low196 Ų196132 Ų13285%0.85265%0.647SS**G310 helixtrans-59.3-22.6-172.7-84.5-170.4174.7-176.60115.8
2103Y37.5Very low32.9Very low187 Ų187136.5 Ų136.573%0.73366%0.663SS**G310 helixtrans-82.3-17178.866.8-94.9000113.7P2101 Y2105P2101-Y2103 HydrophobicContact CB-CD1 3.92Å; P2101-Y2103 HydrophobicContact CB-CE1 3.57Å; P2101-Y2103 HydrophobicContact CG-CE1 4.33Å; P2101-Y2103 PolarHBondContact O-N 2.78Å; Y2103-Y2105 VanDerWaalsContact C-N 3.26Å
2104L31.2Very low31.5Very low89 Ų89140.9 Ų140.947%0.46669%0.691SS.*G310 helixtrans-82.7-3.6172-64.8-180000112.7V2100 P2101 A2106V2100-L2104 HydrophobicContact CG1-CB 3.73Å; V2100-L2104 HydrophobicContact CG1-CD1 4.14Å; P2101-L2104 PolarHBondContact O-N 2.83Å; L2104-A2106 PolarHBondContact O-N 2.95Å; L2104-A2106 VanDerWaalsContact O-N 3.15Å
2105Y32.4Very low30.4Very low143 Ų143139.8 Ų139.856%0.56169%0.692SS**SBendtrans-74.8100.7162.5-71.3-106.9000107.4V2100 Y2103 K2107V2100-Y2105 HydrophobicContact CG1-CE2 4.5Å; Y2103-Y2105 VanDerWaalsContact C-N 3.26Å; Y2105-K2107 PolarHBondContact O-N 2.89Å; Y2105-K2107 VanDerWaalsContact O-N 3.07Å
2106A27.9Very low29.3Very low99 Ų99139.4 Ų139.482%0.81870%0.695SS**  trans-43.9116.3-175.500000111.7L2104 R2108L2104-A2106 PolarHBondContact O-N 2.95Å; L2104-A2106 VanDerWaalsContact O-N 3.15Å; A2106-R2108 PolarHBondContact O-N 2.81Å
2107K23.1Very low28.1Very low199 Ų199135.7 Ų135.787%0.86570%0.699SS**  trans-61.9102.5-172.4-176.5-177-179.3-1750109.5Y2105 P2109Y2105-K2107 PolarHBondContact O-N 2.89Å; Y2105-K2107 VanDerWaalsContact O-N 3.07Å; K2107-P2109 WeakPolarHBondContact O-CD 3.37Å
2108R22.7Very low27.2Very low216 Ų216133.3 Ų133.382%0.81570%0.696SS**  trans-39.3106.3-178.9-170.7-173.7-156.1178.67.8110.9A2106 S2110A2106-R2108 PolarHBondContact O-N 2.81Å; R2108-S2110 PolarHBondContact O-N 2.93Å; R2108-S2110 VanDerWaalsContact O-N 3.07Å
2109P25.3Very low26.5Very low121 Ų121134.2 Ų134.279%0.78670%0.702SS**  trans-65.3114.2177.1-21.134.2000108.2K2107 L2111K2107-P2109 WeakPolarHBondContact O-CD 3.37Å; P2109-L2111 PolarHBondContact O-N 3.14Å; P2109-L2111 VanDerWaalsContact O-N 3.08Å
2110S21.5Very low25.6Very low105 Ų105129.1 Ų129.173%0.73469%0.688SS**  trans-70.3101.8171.149.20000107.7R2108 S2112R2108-S2110 PolarHBondContact O-N 2.93Å; R2108-S2110 VanDerWaalsContact O-N 3.07Å; S2110-S2112 VanDerWaalsContact C-N 3.26Å; S2110-S2112 PolarHBondContact O-N 2.77Å
2111L22.4Very low25.1Very low148 Ų148133.7 Ų133.778%0.77571%0.71SS**  trans-6987176.2-162.975.2000109.1P2109 K2113P2109-L2111 PolarHBondContact O-N 3.14Å; P2109-L2111 VanDerWaalsContact O-N 3.08Å; L2111-K2113 PolarHBondContact O-N 2.8Å
2112S20.8Very low24.6Very low103 Ų103140.2 Ų140.272%0.7273%0.727SS**  trans-71.6123.7175.149.10000109.9S2110S2110-S2112 VanDerWaalsContact C-N 3.26Å; S2110-S2112 PolarHBondContact O-N 2.77Å
2113K21.3Very low24.2Very low177 Ų177139.4 Ų139.477%0.7772%0.72SS**  trans-20.8138.2154.3-48.6169.5-174.8178.70111.9L2111L2111-K2113 PolarHBondContact O-N 2.8Å
2114C19.5Very low23.6Very low112 Ų112133.8 Ų133.876%0.75771%0.712SS**  cis-121.1149.132.9-84.20000112.6
2115N19.3Very low23.4Very low109 Ų109132.4 Ų132.458%0.58371%0.708SS**  66.7123.555.4-57.2-19.1000113.5
2116N22Very low23.3Very low154 Ų154132 Ų13282%0.82472%0.715SS**  trans64.5135.8154.6-46.3-16.7000115.4
2117G22.8Very low23.4Very low70 Ų70132.9 Ų132.972%0.72270%0.701SS**  cis128.2138.822.100000106.9
2118V24.2Very low24Very low131 Ų131128 Ų12879%0.79468%0.684SS**  cis-140.6133.136.7170.90000112
2119N24.3Very low24.8Very low130 Ų130120.6 Ų120.670%0.69566%0.663SS**  trans36.3102.8153.1-48.8-2.8000120.8I2121N2119-I2121 HydrophobicContact CB-CG1 4.11Å
2120E21.9Very low25.3Very low137 Ų137120.3 Ų120.364%0.6465%0.651SS**  -98.8126.6121.7-178-178.3-89.900106.1R2122E2120-R2122 PolarHBondContact O-N 3.38Å; E2120-R2122 VanDerWaalsContact O-N 3.13Å; E2120-R2122 IonicContact OE2-CZ 2.75Å; E2120-R2122 IonicContact OE2-NE 2.62Å; E2120-R2122 PolarHBondContact OE2-NE 2.63Å; E2120-R2122 IonicContact OE2-NH2 3.17Å; E2120-R2122 PolarHBondContact OE2-NH2 3.45Å
2121I23Very low26.2Very low122 Ų122120 Ų12063%0.62664%0.638SS**  trans-85.990.4-171.9-55.2177.8000109.8N2119N2119-I2121 HydrophobicContact CB-CG1 4.11Å
2122R22.1Very low27Very low196 Ų196114.1 Ų114.174%0.7461%0.611SS**  trans-91.9135.4159.3-61.6-171.9-169-161.71.3109.1E2120 A2124E2120-R2122 PolarHBondContact O-N 3.38Å; E2120-R2122 VanDerWaalsContact O-N 3.13Å; E2120-R2122 IonicContact OE2-CZ 2.75Å; E2120-R2122 IonicContact OE2-NE 2.62Å; E2120-R2122 PolarHBondContact OE2-NE 2.63Å; E2120-R2122 IonicContact OE2-NH2 3.17Å; E2120-R2122 PolarHBondContact OE2-NH2 3.45Å; R2122-A2124 PolarHBondContact O-N 3.45Å
2123Y22.8Very low28.1Very low179 Ų179113.8 Ų113.870%0.70260%0.601SS**  trans-73.449-179.9-69.8-88.5000112.9T2125 H2320Y2123-T2125 PolarHBondContact O-N 3.35Å; Y2123-H2320 VanDerWaalsContact CA-NE2 3.33Å; Y2123-H2320 WeakPolarHBondContact CA-NE2 3.46Å; Y2123-H2320 VanDerWaalsContact CB-NE2 3.32Å; Y2123-H2320 WeakPolarHBondContact CB-NE2 3.3Å; Y2123-H2320 PolarHBondContact O-NE2 2.85Å
2124A25.7Very low29.2Very low69 Ų69110.4 Ų110.457%0.5759%0.59SS**  trans-61.911017500000109.8R2122 D2126R2122-A2124 PolarHBondContact O-N 3.45Å; A2124-D2126 PolarHBondContact O-N 3.34Å
2125T26.3Very low30.3Very low61 Ų61107.9 Ų107.937%0.37457%0.567SS.*  trans-71.773.7169.8-1.30000108.8Y2123 F2127 T2319 H2320Y2123-T2125 PolarHBondContact O-N 3.35Å; T2125-F2127 WeakPolarHBondContact O-CD2 3.46Å; T2125-F2127 PolarHBondContact O-N 3.13Å; T2125-T2319 HydrophobicContact CG2-CG2 4.36Å; T2125-H2320 PolarHBondContact N-NE2 2.88Å; T2125-H2320 VanDerWaalsContact N-NE2 3.18Å
2126D30.9Very low31.5Very low133 Ų133103.4 Ų103.471%0.71154%0.543SS*.  trans-64.785.5170.2-92.3-8.4000108.8A2124A2124-D2126 PolarHBondContact O-N 3.34Å
2127F29.3Very low32.6Very low118 Ų118100.1 Ų100.152%0.51853%0.53SS..  trans-44146.5159.2-80.7-98.4000108.4T2125 V2129T2125-F2127 WeakPolarHBondContact O-CD2 3.46Å; T2125-F2127 PolarHBondContact O-N 3.13Å; F2127-V2129 HydrophobicContact CB-CG2 4.06Å; F2127-V2129 PolarHBondContact O-N 2.58Å
2128N36.1Very low33.7Very low96 Ų96101.8 Ų101.851%0.51353%0.526SS..  trans-74.362.6179.3-169.4-4.6000111.5Q2130 Q2131 A2132N2128-Q2130 PolarHBondContact O-N 2.99Å; N2128-Q2131 HydrophobicContact CB-CB 4.49Å; N2128-Q2131 VanDerWaalsContact CG-CB 3.43Å; N2128-Q2131 VanDerWaalsContact ND2-CB 3.35Å; N2128-Q2131 WeakPolarHBondContact ND2-CB 3.36Å; N2128-Q2131 PolarHBondContact ND2-OE1 3.37Å; N2128-Q2131 PolarHBondContact O-N 3.29Å; N2128-Q2131 WeakPolarHBondContact OD1-CB 3.2Å; N2128-Q2131 PolarHBondContact OD1-N 2.79Å; N2128-A2132 PolarHBondContact O-N 3.32Å
2129V38.4Very low34.6Very low61 Ų6199.4 Ų99.437%0.3750%0.503SS..Hα-helixtrans-61.9-31.2-179.5173.50000110.2F2127 L2133F2127-V2129 HydrophobicContact CB-CG2 4.06Å; F2127-V2129 PolarHBondContact O-N 2.58Å; V2129-L2133 HydrophobicContact CG1-CD1 3.71Å; V2129-L2133 HydrophobicContact CG1-CG 4.06Å; V2129-L2133 WeakPolarHBondContact O-CB 3.38Å; V2129-L2133 WeakPolarHBondContact O-CG 3.23Å; V2129-L2133 PolarHBondContact O-N 3.39Å
2130Q37.7Very low35.6Very low116 Ų11698.1 Ų98.154%0.54249%0.488SS..Hα-helixtrans-60.1-53.1172.4-66.9-66-2000111.3N2128 L2133 I2134N2128-Q2130 PolarHBondContact O-N 2.99Å; Q2130-L2133 PolarHBondContact O-N 2.92Å; Q2130-I2134 WeakPolarHBondContact O-CD1 3.38Å; Q2130-I2134 VanDerWaalsContact O-CG1 3.24Å; Q2130-I2134 WeakPolarHBondContact O-CG1 3.38Å; Q2130-I2134 PolarHBondContact O-N 3.17Å; Q2130-I2134 VanDerWaalsContact O-N 3.15Å
2131Q38.7Very low36.6Very low98 Ų98102.7 Ų102.746%0.45850%0.499SS..Hα-helixtrans-69.3-37.2178.5-170.3167.8-18.700112.2N2128 L2133 I2134 E2135N2128-Q2131 HydrophobicContact CB-CB 4.49Å; N2128-Q2131 VanDerWaalsContact CG-CB 3.43Å; N2128-Q2131 VanDerWaalsContact ND2-CB 3.35Å; N2128-Q2131 WeakPolarHBondContact ND2-CB 3.36Å; N2128-Q2131 PolarHBondContact ND2-OE1 3.37Å; N2128-Q2131 PolarHBondContact O-N 3.29Å; N2128-Q2131 WeakPolarHBondContact OD1-CB 3.2Å; N2128-Q2131 PolarHBondContact OD1-N 2.79Å; Q2131-L2133 PolarHBondContact O-N 2.68Å; Q2131-I2134 PolarHBondContact O-N 2.81Å; Q2131-I2134 VanDerWaalsContact O-N 3.15Å; Q2131-E2135 HydrophobicContact CG-CG 4.26Å; Q2131-E2135 WeakPolarHBondContact CG-OE2 3.39Å; Q2131-E2135 PolarHBondContact NE2-OE2 3.07Å; Q2131-E2135 PolarHBondContact O-N 3.31Å
2132A40.6Very low37.6Very low24 Ų24100.9 Ų100.920%0.19850%0.503CS..Hα-helixtrans-60.1-45.8173.500000112N2128 I2134 E2135 D2136N2128-A2132 PolarHBondContact O-N 3.32Å; A2132-I2134 PolarHBondContact O-N 2.99Å; A2132-E2135 PolarHBondContact O-N 3.46Å; A2132-D2136 WeakPolarHBondContact O-CB 3.46Å; A2132-D2136 VanDerWaalsContact O-CG 3.22Å; A2132-D2136 PolarHBondContact O-N 2.81Å
2133L43.6Very low38.4Very low97 Ų9795.4 Ų95.451%0.50849%0.488SS..Hα-helixtrans-64.7-23.2175.8-74.6170.9000113.5V2129 Q2130 Q2131 P2137V2129-L2133 HydrophobicContact CG1-CD1 3.71Å; V2129-L2133 HydrophobicContact CG1-CG 4.06Å; V2129-L2133 WeakPolarHBondContact O-CB 3.38Å; V2129-L2133 WeakPolarHBondContact O-CG 3.23Å; V2129-L2133 PolarHBondContact O-N 3.39Å; Q2130-L2133 PolarHBondContact O-N 2.92Å; Q2131-L2133 PolarHBondContact O-N 2.68Å; L2133-P2137 WeakPolarHBondContact O-CD 3.27Å
2134I44.2Very low39.5Very low106 Ų10695.5 Ų95.554%0.54449%0.492SS..Hα-helixtrans-85.2-42.8176.6-69.5165.7000111.3Q2130 Q2131 A2132Q2130-I2134 WeakPolarHBondContact O-CD1 3.38Å; Q2130-I2134 VanDerWaalsContact O-CG1 3.24Å; Q2130-I2134 WeakPolarHBondContact O-CG1 3.38Å; Q2130-I2134 PolarHBondContact O-N 3.17Å; Q2130-I2134 VanDerWaalsContact O-N 3.15Å; Q2131-I2134 PolarHBondContact O-N 2.81Å; Q2131-I2134 VanDerWaalsContact O-N 3.15Å; A2132-I2134 PolarHBondContact O-N 2.99Å
2135E42.2Very low40.5Very low58 Ų5893.1 Ų93.127%0.27147%0.471SS..Hα-helixtrans-89-35.8-175.7-70.5-160.269.800114.6Q2131 A2132 P2137 V2138 R2139Q2131-E2135 HydrophobicContact CG-CG 4.26Å; Q2131-E2135 WeakPolarHBondContact CG-OE2 3.39Å; Q2131-E2135 PolarHBondContact NE2-OE2 3.07Å; Q2131-E2135 PolarHBondContact O-N 3.31Å; A2132-E2135 PolarHBondContact O-N 3.46Å; E2135-P2137 VanDerWaalsContact C-CD 3.45Å; E2135-V2138 WeakPolarHBondContact O-CA 3.24Å; E2135-V2138 WeakPolarHBondContact O-CB 3.38Å; E2135-V2138 PolarHBondContact O-N 2.84Å; E2135-R2139 HydrophobicContact CB-CG 4.41Å; E2135-R2139 PolarHBondContact O-N 3.44Å; E2135-R2139 IonicContact OE1-CZ 3.92Å; E2135-R2139 IonicContact OE1-NE 2.66Å; E2135-R2139 PolarHBondContact OE1-NE 2.91Å; E2135-R2139 IonicContact OE1-NH2 3.7Å; E2135-R2139 PolarHBondContact OE1-NH2 3.34Å; E2135-R2139 IonicContact OE2-NH2 3.49Å
2136D45.5Very low41.7Very low16 Ų1693 Ų939%0.08647%0.473CS..Hα-helixtrans-52.1-43.9-178.5-80.9-28.8000113.2A2132 V2138 R2140 R2162A2132-D2136 WeakPolarHBondContact O-CB 3.46Å; A2132-D2136 VanDerWaalsContact O-CG 3.22Å; A2132-D2136 PolarHBondContact O-N 2.81Å; D2136-V2138 PolarHBondContact O-N 3.33Å; D2136-R2140 WeakPolarHBondContact O-CB 3.44Å; D2136-R2140 WeakPolarHBondContact O-CG 3.2Å; D2136-R2140 PolarHBondContact O-N 2.97Å; D2136-R2162 IonicContact OD1-CZ 2.93Å; D2136-R2162 IonicContact OD1-NH1 3.38Å; D2136-R2162 PolarHBondContact OD1-NH1 3.36Å; D2136-R2162 IonicContact OD1-NH2 3.69Å
2137P44.8Very low42.6Very low85 Ų8592.9 Ų92.955%0.55247%0.47SS*.Hα-helixtrans-66.2-20.9178-20.334.2000113.9L2133 E2135L2133-P2137 WeakPolarHBondContact O-CD 3.27Å; E2135-P2137 VanDerWaalsContact C-CD 3.45Å
2138V45Very low43.6Very low105 Ų10592.3 Ų92.364%0.63647%0.472SS*.Hα-helixtrans-90.5-49.2179.5-172.50000110.2E2135 D2136 R2140 R2141E2135-V2138 WeakPolarHBondContact O-CA 3.24Å; E2135-V2138 WeakPolarHBondContact O-CB 3.38Å; E2135-V2138 PolarHBondContact O-N 2.84Å; D2136-V2138 PolarHBondContact O-N 3.33Å; V2138-R2140 PolarHBondContact O-N 2.96Å; V2138-R2141 PolarHBondContact O-N 3.21Å
2139R44.2Very low44.4Very low81 Ų8188 Ų8831%0.30645%0.449SS..Hα-helixtrans-64.3-33.8-177.4-66.6-168.3-178.7-146.91.8113.3E2135 R2141 A2142 E2194E2135-R2139 HydrophobicContact CB-CG 4.41Å; E2135-R2139 PolarHBondContact O-N 3.44Å; E2135-R2139 IonicContact OE1-CZ 3.92Å; E2135-R2139 IonicContact OE1-NE 2.66Å; E2135-R2139 PolarHBondContact OE1-NE 2.91Å; E2135-R2139 IonicContact OE1-NH2 3.7Å; E2135-R2139 PolarHBondContact OE1-NH2 3.34Å; E2135-R2139 IonicContact OE2-NH2 3.49Å; R2139-R2141 PolarHBondContact O-N 2.99Å; R2139-A2142 PolarHBondContact O-N 2.77Å; R2139-A2142 VanDerWaalsContact O-N 3.11Å; R2139-E2194 VanDerWaalsContact CD-OE2 3.24Å; R2139-E2194 WeakPolarHBondContact CD-OE2 3.35Å; R2139-E2194 IonicContact CZ-OE2 3.85Å; R2139-E2194 IonicContact NE-OE2 2.7Å; R2139-E2194 IonicContact NH1-OE2 3.96Å; R2139-E2194 PolarHBondContact NH1-OE2 2.98Å
2140R43.7Very low45.4Very low102 Ų10287 Ų8739%0.38545%0.452SS..THydrogen-bonded Turntrans-55.3-12.1175.8-78.9178-154.1-147.16.3115.4D2136 V2138 Q2155D2136-R2140 WeakPolarHBondContact O-CB 3.44Å; D2136-R2140 WeakPolarHBondContact O-CG 3.2Å; D2136-R2140 PolarHBondContact O-N 2.97Å; V2138-R2140 PolarHBondContact O-N 2.96Å; R2140-Q2155 VanDerWaalsContact NH2-CD 3.33Å
2141R44.2Very low46.6Very low233 Ų23384.9 Ų84.988%0.87945%0.448SS*.THydrogen-bonded Turntrans-93.2-12.4179.3-76.2-176.8165.2177.7-3.6115.4V2138 R2139V2138-R2141 PolarHBondContact O-N 3.21Å; R2139-R2141 PolarHBondContact O-N 2.99Å
2142A42.7Very low47.3Very low85 Ų8584.7 Ų84.770%0.70246%0.456SS*.THydrogen-bonded Turntrans-121.6-7.1-167.200000114.9R2139R2139-A2142 PolarHBondContact O-N 2.77Å; R2139-A2142 VanDerWaalsContact O-N 3.11Å
2143L40.3Very low47.9Very low81 Ų8191.5 Ų91.542%0.42448%0.481SS..SBendtrans-136.9152.2-172.2-64.8174.5000112T2145 S2146 E2194L2143-T2145 PolarHBondContact O-N 3.06Å; L2143-T2145 VanDerWaalsContact O-N 3.08Å; L2143-S2146 PolarHBondContact O-N 3.44Å; L2143-S2146 PolarHBondContact O-OG 3.12Å; L2143-E2194 HydrophobicContact CD1-CG 3.97Å
2144F45.3Very low48.3Very low180 Ų18087.3 Ų87.379%0.78946%0.461SS*.THydrogen-bonded Turntrans-63.5-8.4175.7-70.9-88.1000114S2146 I2147F2144-S2146 PolarHBondContact O-N 3.48Å; F2144-I2147 PolarHBondContact O-N 3.21Å; F2144-I2147 VanDerWaalsContact O-N 3.12Å
2145T45.8Very low48.9Very low19 Ų1985 Ų8512%0.11745%0.448CS..Hα-helixtrans-60.8-8.8171.255.80000113.7L2143 I2147 G2149L2143-T2145 PolarHBondContact O-N 3.06Å; L2143-T2145 VanDerWaalsContact O-N 3.08Å; T2145-I2147 VanDerWaalsContact C-N 3.26Å; T2145-I2147 PolarHBondContact O-N 3.41Å; T2145-G2149 WeakPolarHBondContact O-CA 3.46Å; T2145-G2149 PolarHBondContact O-N 2.99Å
2146S51.5Low49.4Very low60 Ų6088.9 Ų88.942%0.4246%0.464SS..Hα-helixtrans-62.1-28.1169.358.50000114.1L2143 F2144 G2150L2143-S2146 PolarHBondContact O-N 3.44Å; L2143-S2146 PolarHBondContact O-OG 3.12Å; F2144-S2146 PolarHBondContact O-N 3.48Å; S2146-G2150 PolarHBondContact O-N 2.85Å
2147I50.9Low50.1Low129 Ų12990 Ų9066%0.66247%0.474SS*.Hα-helixtrans-72.1-57.2177-57.6173000109.4F2144 T2145 G2149F2144-I2147 PolarHBondContact O-N 3.21Å; F2144-I2147 VanDerWaalsContact O-N 3.12Å; T2145-I2147 VanDerWaalsContact C-N 3.26Å; T2145-I2147 PolarHBondContact O-N 3.41Å; I2147-G2149 PolarHBondContact O-N 3.13Å
2148I50.7Low50.7Low107 Ų10786.8 Ų86.855%0.54945%0.452SS..Hα-helixtrans-63.6-41.6179.1-59.8169.7000111.1G2150 G2154 L2158I2148-G2150 VanDerWaalsContact C-N 3.31Å; I2148-G2150 PolarHBondContact O-N 3.01Å; I2148-G2154 VanDerWaalsContact O-CA 3.31Å; I2148-G2154 WeakPolarHBondContact O-CA 3.45Å; I2148-L2158 HydrophobicContact CG2-CD2 4.25Å; I2148-L2158 HydrophobicContact CG2-CG 4.22Å
2149G52.5Low51.4Low4 Ų485.4 Ų85.44%0.04144%0.435CS..THydrogen-bonded Turntrans-85.812.6-174.900000115.9T2145 I2147 Q2155 L2158T2145-G2149 WeakPolarHBondContact O-CA 3.46Å; T2145-G2149 PolarHBondContact O-N 2.99Å; I2147-G2149 PolarHBondContact O-N 3.13Å; G2149-Q2155 WeakPolarHBondContact O-CG 3.28Å; G2149-L2158 VanDerWaalsContact CA-CD1 3.43Å
2150G59Low52.1Low41 Ų4192 Ų9242%0.42346%0.46SS..SBendtrans-70.1-67.1173.800000112.1S2146 I2148 Q2155S2146-G2150 PolarHBondContact O-N 2.85Å; I2148-G2150 VanDerWaalsContact C-N 3.31Å; I2148-G2150 PolarHBondContact O-N 3.01Å; G2150-Q2155 PolarHBondContact O-NE2 3.22Å
2151P62.8Low52.7Low72 Ų7292.6 Ų92.647%0.46847%0.469SS..SBendtrans-61.4153.9-177.2-23.634.7000113.5F2153 G2154 Q2155P2151-F2153 VanDerWaalsContact C-N 3.3Å; P2151-F2153 PolarHBondContact O-N 2.84Å; P2151-G2154 PolarHBondContact O-N 3.13Å; P2151-G2154 VanDerWaalsContact O-N 3.14Å; P2151-Q2155 WeakPolarHBondContact O-CG 3.29Å; P2151-Q2155 PolarHBondContact O-N 2.74Å
2152P54.4Low53.6Low94 Ų9484.8 Ų84.861%0.6144%0.439SS*.Hα-helixtrans-55.5-43.5175.6-25.334.6000112.7Q2155 F2156P2152-Q2155 WeakPolarHBondContact O-CB 3.37Å; P2152-Q2155 PolarHBondContact O-N 2.81Å; P2152-F2156 WeakPolarHBondContact O-CD2 3.49Å; P2152-F2156 PolarHBondContact O-N 2.82Å; P2152-F2156 VanDerWaalsContact O-N 3.09Å
2153F53.6Low54.8Low166 Ų16682.3 Ų82.373%0.72842%0.422SS*.Hα-helixtrans-59.3-47.8175.6-172.3-101.2000111.7P2151 Q2155 F2156 S2157P2151-F2153 VanDerWaalsContact C-N 3.3Å; P2151-F2153 PolarHBondContact O-N 2.84Å; F2153-Q2155 VanDerWaalsContact C-N 3.27Å; F2153-Q2155 PolarHBondContact O-N 2.85Å; F2153-F2156 CarbonylContact O-C 3.58Å; F2153-F2156 WeakPolarHBondContact O-CA 3.29Å; F2153-F2156 WeakPolarHBondContact O-CB 3.44Å; F2153-F2156 PolarHBondContact O-N 2.88Å; F2153-S2157 PolarHBondContact O-N 2.88Å; F2153-S2157 PolarHBondContact O-OG 3.12Å
2154G51Low56.5Low9 Ų980.5 Ų80.59%0.09341%0.412CS..Hα-helixtrans-60.4-32175.700000114.2I2148 P2151 S2157 L2158I2148-G2154 VanDerWaalsContact O-CA 3.31Å; I2148-G2154 WeakPolarHBondContact O-CA 3.45Å; P2151-G2154 PolarHBondContact O-N 3.13Å; P2151-G2154 VanDerWaalsContact O-N 3.14Å; G2154-S2157 PolarHBondContact O-N 2.82Å; G2154-L2158 WeakPolarHBondContact O-CB 3.49Å; G2154-L2158 WeakPolarHBondContact O-CG 3.35Å; G2154-L2158 PolarHBondContact O-N 3.48Å
2155Q56.3Low57.9Low58 Ų5879.3 Ų79.327%0.27140%0.403SS..Hα-helixtrans-70.1-35.3172.1-65.817755.100112.5R2140 G2149 G2150 P2151 P2152 F2153 R2159R2140-Q2155 VanDerWaalsContact NH2-CD 3.33Å; G2149-Q2155 WeakPolarHBondContact O-CG 3.28Å; G2150-Q2155 PolarHBondContact O-NE2 3.22Å; P2151-Q2155 WeakPolarHBondContact O-CG 3.29Å; P2151-Q2155 PolarHBondContact O-N 2.74Å; P2152-Q2155 WeakPolarHBondContact O-CB 3.37Å; P2152-Q2155 PolarHBondContact O-N 2.81Å; F2153-Q2155 VanDerWaalsContact C-N 3.27Å; F2153-Q2155 PolarHBondContact O-N 2.85Å; Q2155-R2159 WeakPolarHBondContact O-CG 3.18Å; Q2155-R2159 PolarHBondContact O-N 3.44Å
2156F54.2Low59.4Low139 Ų13979.6 Ų79.661%0.6140%0.403SS*.Hα-helixtrans-69.1-42.2170.6-84.5-77.6000112.1P2152 F2153 R2159 R2160P2152-F2156 WeakPolarHBondContact O-CD2 3.49Å; P2152-F2156 PolarHBondContact O-N 2.82Å; P2152-F2156 VanDerWaalsContact O-N 3.09Å; F2153-F2156 CarbonylContact O-C 3.58Å; F2153-F2156 WeakPolarHBondContact O-CA 3.29Å; F2153-F2156 WeakPolarHBondContact O-CB 3.44Å; F2153-F2156 PolarHBondContact O-N 2.88Å; F2156-R2159 WeakPolarHBondContact O-CB 3.04Å; F2156-R2159 PolarHBondContact O-N 2.77Å; F2156-R2159 VanDerWaalsContact O-N 3.13Å; F2156-R2160 PolarHBondContact O-N 3.15Å
2157S58.7Low60.5Low41 Ų4178.6 Ų78.629%0.28740%0.399SS..Hα-helixtrans-61-47.1175.5-57.60000111.6F2153 G2154 R2159 R2160 M2161F2153-S2157 PolarHBondContact O-N 2.88Å; F2153-S2157 PolarHBondContact O-OG 3.12Å; G2154-S2157 PolarHBondContact O-N 2.82Å; S2157-R2159 PolarHBondContact O-N 2.99Å; S2157-R2160 PolarHBondContact O-N 3.04Å; S2157-R2160 VanDerWaalsContact O-N 3.09Å; S2157-M2161 WeakPolarHBondContact O-CB 3.29Å; S2157-M2161 WeakPolarHBondContact O-CG 3.44Å; S2157-M2161 PolarHBondContact O-N 2.85Å
2158L57.8Low61.5Low17 Ų1776.4 Ų76.49%0.08939%0.393CS..Hα-helixtrans-61.5-29.3174.4-74.7177.4000113.3I2148 G2149 G2154 R2162 P2193I2148-L2158 HydrophobicContact CG2-CD2 4.25Å; I2148-L2158 HydrophobicContact CG2-CG 4.22Å; G2149-L2158 VanDerWaalsContact CA-CD1 3.43Å; G2154-L2158 WeakPolarHBondContact O-CB 3.49Å; G2154-L2158 WeakPolarHBondContact O-CG 3.35Å; G2154-L2158 PolarHBondContact O-N 3.48Å; L2158-R2162 VanDerWaalsContact O-CD 3.31Å; L2158-R2162 WeakPolarHBondContact O-CD 3.49Å; L2158-R2162 VanDerWaalsContact O-CG 3.23Å; L2158-R2162 WeakPolarHBondContact O-CG 3.3Å; L2158-R2162 PolarHBondContact O-N 3.14Å; L2158-P2193 HydrophobicContact CD2-CG 4.43Å
2159R60.6Low62.1Low76 Ų7674.2 Ų74.229%0.28739%0.387SS..Hα-helixtrans-73-34.6173.1-76.9175.4176.3-168.4-1.2113.1Q2155 F2156 S2157Q2155-R2159 WeakPolarHBondContact O-CG 3.18Å; Q2155-R2159 PolarHBondContact O-N 3.44Å; F2156-R2159 WeakPolarHBondContact O-CB 3.04Å; F2156-R2159 PolarHBondContact O-N 2.77Å; F2156-R2159 VanDerWaalsContact O-N 3.13Å; S2157-R2159 PolarHBondContact O-N 2.99Å
2160R59Low62.6Low218 Ų21880.4 Ų80.482%0.82341%0.409SS*.Hα-helixtrans-74.5-37.4174-77.8-176.3167.7-176.5-4.9113F2156 S2157F2156-R2160 PolarHBondContact O-N 3.15Å; S2157-R2160 PolarHBondContact O-N 3.04Å; S2157-R2160 VanDerWaalsContact O-N 3.09Å
2161M55.7Low62.9Low116 Ų11680 Ų8057%0.57140%0.397SS*.Hα-helixtrans-72.4-26.6-176.6-67.2-83.8-79.700113.7S2157 G2163 W2191 G2192S2157-M2161 WeakPolarHBondContact O-CB 3.29Å; S2157-M2161 WeakPolarHBondContact O-CG 3.44Å; S2157-M2161 PolarHBondContact O-N 2.85Å; M2161-G2163 PolarHBondContact O-N 2.82Å; M2161-W2191 CarbonylContact O-C 3.58Å; M2161-G2192 WeakPolarHBondContact O-CA 3.31Å; M2161-G2192 PolarHBondContact O-N 2.82Å
2162R63.7Low63.4Low69 Ų6983.5 Ų83.526%0.2641%0.412SS..  trans-84.6112.1-176-74.6169.4175.5164.5-8.8112D2136 L2158 E2194D2136-R2162 IonicContact OD1-CZ 2.93Å; D2136-R2162 IonicContact OD1-NH1 3.38Å; D2136-R2162 PolarHBondContact OD1-NH1 3.36Å; D2136-R2162 IonicContact OD1-NH2 3.69Å; L2158-R2162 VanDerWaalsContact O-CD 3.31Å; L2158-R2162 WeakPolarHBondContact O-CD 3.49Å; L2158-R2162 VanDerWaalsContact O-CG 3.23Å; L2158-R2162 WeakPolarHBondContact O-CG 3.3Å; L2158-R2162 PolarHBondContact O-N 3.14Å; R2162-E2194 IonicContact CZ-OE1 2.67Å; R2162-E2194 IonicContact NE-OE1 3.46Å; R2162-E2194 PolarHBondContact NE-OE1 2.83Å; R2162-E2194 VanDerWaalsContact NE-OE1 3.15Å; R2162-E2194 IonicContact NH2-OE1 3.16Å; R2162-E2194 PolarHBondContact NH2-OE1 2.96Å; R2162-E2194 IonicContact NH2-OE2 3.64Å
2163G68.2Low63.8Low33 Ų3379.9 Ų79.934%0.3439%0.39SS..  trans-174.1165.8171.800000115.1M2161 N2190 W2191M2161-G2163 PolarHBondContact O-N 2.82Å; G2163-N2190 PolarHBondContact O-OD1 2.69Å; G2163-W2191 PolarHBondContact O-N 2.83Å
2164L75.3Confident64.6Low43 Ų4374.1 Ų74.123%0.22538%0.377CS..EExtended strand (participates in β ladder)trans-104130.5167.2-70.3167.7000108.7L2188 V2189 N2190 A2196 F2198 I2218L2164-L2188 HydrophobicContact CB-CD1 4.06Å; L2164-L2188 HydrophobicContact CB-CG 4.36Å; L2164-L2188 HydrophobicContact CD1-CD2 4.37Å; L2164-L2188 HydrophobicContact CD2-CG 4.36Å; L2164-V2189 WeakPolarHBondContact CA-O 3.39Å; L2164-N2190 HydrophobicContact CD2-CB 3.84Å; L2164-A2196 HydrophobicContact CD1-CB 4.23Å; L2164-A2196 HydrophobicContact CD2-CB 3.83Å; L2164-A2196 HydrophobicContact CG-CB 4.06Å; L2164-F2198 HydrophobicContact CD1-CB 3.66Å; L2164-F2198 HydrophobicContact CD1-CG 4.34Å; L2164-I2218 HydrophobicContact CD2-CD1 3.97Å
2165R74.5Confident65.3Low154 Ų15479.7 Ų79.758%0.58141%0.409SS*.EExtended strand (participates in β ladder)trans-123.3151.7179.8-73.3179.7164.3-179.1-7.9111L2188 V2189R2165-L2188 CarbonylContact O-C 3.59Å; R2165-L2188 WeakPolarHBondContact O-CA 3.42Å; R2165-V2189 PolarHBondContact N-O 2.8Å; R2165-V2189 PolarHBondContact O-N 3.26Å
2166L77.7Confident65.6Low25 Ų2577.9 Ų77.913%0.13140%0.401CS..EExtended strand (participates in β ladder)trans-88.4143.2171.8-66.3172.9000110.5P2168 S2169 K2187 L2188 L2226 M2322L2166-P2168 CarbonylContact C-O 3.56Å; L2166-S2169 WeakPolarHBondContact O-CA 3.48Å; L2166-S2169 PolarHBondContact O-N 3.16Å; L2166-K2187 CarbonylContact C-O 3.57Å; L2166-K2187 WeakPolarHBondContact CA-O 3.18Å; L2166-L2188 HydrophobicContact CD2-CD1 3.79Å; L2166-L2188 HydrophobicContact CG-CD1 4.43Å; L2166-L2226 HydrophobicContact CD2-CD1 3.62Å; L2166-M2322 HydrophobicContact CD1-SD 3.91Å; L2166-M2322 HydrophobicContact CG-SD 4.03Å
2167A73.5Confident66.3Low40 Ų4074.5 Ų74.533%0.33139%0.393SS..EExtended strand (participates in β ladder)trans-138.2117.4176.700000111K2187 V2189A2167-K2187 HydrophobicContact CB-CB 4.39Å; A2167-K2187 PolarHBondContact N-O 2.78Å; A2167-K2187 PolarHBondContact O-N 2.85Å; A2167-V2189 HydrophobicContact CB-CG2 3.85Å
2168P72.5Confident66.7Low83 Ų8378 Ų7854%0.53940%0.401SS..SBendcis-54.5153.7-13.427.1-37.4000111.8L2166 V2186L2166-P2168 CarbonylContact C-O 3.56Å; P2168-V2186 HydrophobicContact CG-CG1 3.96Å; P2168-V2186 WeakPolarHBondContact O-CG1 3.4Å
2169S63.4Low67.3Low60 Ų6078.9 Ų78.942%0.4241%0.414SS..SBendtrans-77.2-44.6-176.260.80000111L2166 T2317L2166-S2169 WeakPolarHBondContact O-CA 3.48Å; L2166-S2169 PolarHBondContact O-N 3.16Å; S2169-T2317 VanDerWaalsContact CB-OG1 3.31Å; S2169-T2317 WeakPolarHBondContact CB-OG1 3.39Å; S2169-T2317 WeakPolarHBondContact O-CG2 3.4Å; S2169-T2317 PolarHBondContact O-OG1 3.18Å
2170R62.2Low67.9Low135 Ų13578 Ų7851%0.50942%0.417SS..SBendtrans-98.8152.5172.7-54.5-176.6-179.2-179.3-1.8110.5
2171I65.6Low68.9Low33 Ų3370.2 Ų70.217%0.16939%0.394CS..  trans-131.4122.6173-54.5176.8000107.7F2184 V2186 I2228I2171-F2184 HydrophobicContact CD1-CB 4.06Å; I2171-F2184 HydrophobicContact CG2-CB 4.07Å; I2171-F2184 HydrophobicContact CG2-CD1 3.52Å; I2171-F2184 HydrophobicContact CG2-CD2 4.18Å; I2171-F2184 HydrophobicContact CG2-CE1 3.96Å; I2171-F2184 HydrophobicContact CG2-CG 3.65Å; I2171-F2184 HydrophobicContact CG2-CZ 4.48Å; I2171-V2186 HydrophobicContact CD1-CG1 3.68Å; I2171-V2186 HydrophobicContact CD1-CG2 4.15Å; I2171-V2186 HydrophobicContact CG1-CG1 4.01Å; I2171-I2228 HydrophobicContact CD1-CD1 3.99Å
2172N74.6Confident70Confident144 Ų14469.6 Ų69.677%0.7739%0.385SS*.  trans-87.9118.3168.6-171.5-8000109.1G2174N2172-G2174 PolarHBondContact OD1-N 3.11Å
2173A62.3Low71.1Confident19 Ų1974.8 Ų74.816%0.15741%0.405CS..  trans-83.6-13.3177.400000113.5R2182 F2184A2173-R2182 PolarHBondContact O-NH1 2.84Å; A2173-F2184 HydrophobicContact CB-CE2 4.31Å; A2173-F2184 HydrophobicContact CB-CZ 3.98Å
2174G70Confident71.8Confident44 Ų4475.2 Ų75.245%0.45440%0.397SS..  trans64.6-174.6-167.400000112.8N2172 L2176N2172-G2174 PolarHBondContact OD1-N 3.11Å; G2174-L2176 PolarHBondContact O-N 3.32Å
2175V65.5Low72.3Confident127 Ų12776.7 Ų76.777%0.7741%0.411SS*.  trans-63.3126.9164.2-178.10000108R2182V2175-R2182 PolarHBondContact O-NH1 2.81Å; V2175-R2182 VanDerWaalsContact O-NH1 3.11Å
2176L63.2Low72.8Confident20 Ų2069.5 Ų69.511%0.10538%0.384CS..  trans-107.1110175.7-135.387.7000108.4G2174 V2180 R2182 V2230 N2232G2174-L2176 PolarHBondContact O-N 3.32Å; L2176-V2180 VanDerWaalsContact CD2-O 3.3Å; L2176-V2180 WeakPolarHBondContact CD2-O 3.27Å; L2176-V2180 HydrophobicContact CG-CB 4.49Å; L2176-V2180 HydrophobicContact CG-CG1 4.37Å; L2176-R2182 HydrophobicContact CD1-CB 4.05Å; L2176-R2182 HydrophobicContact CD1-CG 3.74Å; L2176-V2230 HydrophobicContact CD2-CG1 4.39Å; L2176-V2230 WeakPolarHBondContact CD2-O 3.47Å; L2176-N2232 HydrophobicContact CB-CB 4.06Å; L2176-N2232 HydrophobicContact CD2-CB 3.82Å; L2176-N2232 HydrophobicContact CG-CB 4.45Å; L2176-N2232 PolarHBondContact O-ND2 3.05Å
2177P68.6Low73.2Confident68 Ų6874.1 Ų74.144%0.44240%0.403SS..  trans-60.8156.6174.9-20.832000111.6V2180P2177-V2180 HydrophobicContact CB-CG2 3.8Å; P2177-V2180 HydrophobicContact CG-CG2 4.08Å; P2177-V2180 WeakPolarHBondContact O-CB 3.44Å; P2177-V2180 PolarHBondContact O-N 3.45Å; P2177-V2180 VanDerWaalsContact O-N 3.15Å
2178Y66.5Low73.8Confident114 Ų11472.3 Ų72.345%0.44739%0.388SS..THydrogen-bonded Turntrans-56.2140.7175.2-174-97.7000111.5V2180 N2232 R2234Y2178-V2180 PolarHBondContact O-N 3.18Å; Y2178-N2232 CarbonylContact C-O 3.51Å; Y2178-R2234 HydrophobicContact CE2-CB 3.88Å; Y2178-R2234 HydrophobicContact CE2-CG 3.91Å; Y2178-R2234 VanDerWaalsContact CE2-N 3.29Å; Y2178-R2234 WeakPolarHBondContact OH-CB 3.39Å; Y2178-R2234 PolarHBondContact OH-O 3.42Å
2179G69.8Low74.3Confident36 Ų3669.6 Ų69.637%0.37137%0.37SS..THydrogen-bonded Turntrans82.9-30-17500000114.5N2232 Q2233G2179-N2232 PolarHBondContact N-O 3.14Å; G2179-Q2233 PolarHBondContact O-NE2 2.85Å
2180V73.5Confident75.3Confident56 Ų5667 Ų6734%0.33935%0.351SS..  trans-70.1145.5-171.2179.10000111.9L2176 P2177 Y2178 S2231 N2232L2176-V2180 VanDerWaalsContact CD2-O 3.3Å; L2176-V2180 WeakPolarHBondContact CD2-O 3.27Å; L2176-V2180 HydrophobicContact CG-CB 4.49Å; L2176-V2180 HydrophobicContact CG-CG1 4.37Å; P2177-V2180 HydrophobicContact CB-CG2 3.8Å; P2177-V2180 HydrophobicContact CG-CG2 4.08Å; P2177-V2180 WeakPolarHBondContact O-CB 3.44Å; P2177-V2180 PolarHBondContact O-N 3.45Å; P2177-V2180 VanDerWaalsContact O-N 3.15Å; Y2178-V2180 PolarHBondContact O-N 3.18Å; V2180-S2231 WeakPolarHBondContact O-CA 3.32Å; V2180-N2232 PolarHBondContact O-N 3.08Å
2181T80.1Confident75.7Confident55 Ų5567.7 Ų67.734%0.33735%0.354SS..EExtended strand (participates in β ladder)trans-129.2125.6174.2-60.50000109.9E2229 V2230 S2231T2181-E2229 HydrophobicContact CG2-CG 3.35Å; T2181-V2230 CarbonylContact C-O 3.55Å; T2181-V2230 VanDerWaalsContact CA-O 3.32Å; T2181-V2230 WeakPolarHBondContact CA-O 3.25Å; T2181-S2231 WeakPolarHBondContact OG1-CB 2.99Å
2182R79.2Confident75.9Confident104 Ų10466.3 Ų66.339%0.39235%0.348SS..EExtended strand (participates in β ladder)trans-109.5146.3172.4-74.1-175.6175143.41.3110.6A2173 V2175 L2176 F2184 E2229 V2230A2173-R2182 PolarHBondContact O-NH1 2.84Å; V2175-R2182 PolarHBondContact O-NH1 2.81Å; V2175-R2182 VanDerWaalsContact O-NH1 3.11Å; L2176-R2182 HydrophobicContact CD1-CB 4.05Å; L2176-R2182 HydrophobicContact CD1-CG 3.74Å; R2182-F2184 HydrophobicContact CB-CE1 4.48Å; R2182-F2184 HydrophobicContact CB-CE2 3.66Å; R2182-F2184 HydrophobicContact CB-CZ 3.56Å; R2182-F2184 HydrophobicContact CG-CZ 4.45Å; R2182-E2229 CarbonylContact O-C 3.48Å; R2182-E2229 WeakPolarHBondContact O-CA 3.16Å; R2182-V2230 PolarHBondContact N-O 2.76Å; R2182-V2230 PolarHBondContact O-N 2.81Å
2183R87.3Confident75.7Confident178 Ų17862.6 Ų62.667%0.67233%0.331SS*.EExtended strand (participates in β ladder)trans-119.2132.2177.4-68.3177.9-176.6140.26.4110.1T2227 I2228 E2229R2183-T2227 HydrophobicContact CB-CG2 4.4Å; R2183-I2228 CarbonylContact C-O 3.59Å; R2183-I2228 WeakPolarHBondContact CA-O 3.19Å; R2183-E2229 HydrophobicContact CG-CB 4.04Å; R2183-E2229 HydrophobicContact CG-CG 3.86Å; R2183-E2229 IonicContact CZ-OE1 3.68Å; R2183-E2229 IonicContact NE-OE1 3.78Å; R2183-E2229 PolarHBondContact NE-OE1 2.85Å; R2183-E2229 IonicContact NH2-OE1 2.77Å; R2183-E2229 PolarHBondContact NH2-OE1 2.84Å
2184F83.1Confident75.9Confident42 Ų4262.4 Ų62.418%0.18433%0.327CS..EExtended strand (participates in β ladder)trans-122.9142.5-176.9-52.2-86.1000109.2I2171 A2173 R2182 T2227 I2228 V2230I2171-F2184 HydrophobicContact CD1-CB 4.06Å; I2171-F2184 HydrophobicContact CG2-CB 4.07Å; I2171-F2184 HydrophobicContact CG2-CD1 3.52Å; I2171-F2184 HydrophobicContact CG2-CD2 4.18Å; I2171-F2184 HydrophobicContact CG2-CE1 3.96Å; I2171-F2184 HydrophobicContact CG2-CG 3.65Å; I2171-F2184 HydrophobicContact CG2-CZ 4.48Å; A2173-F2184 HydrophobicContact CB-CE2 4.31Å; A2173-F2184 HydrophobicContact CB-CZ 3.98Å; R2182-F2184 HydrophobicContact CB-CE1 4.48Å; R2182-F2184 HydrophobicContact CB-CE2 3.66Å; R2182-F2184 HydrophobicContact CB-CZ 3.56Å; R2182-F2184 HydrophobicContact CG-CZ 4.45Å; F2184-T2227 CarbonylContact O-C 3.56Å; F2184-T2227 WeakPolarHBondContact O-CA 3.49Å; F2184-I2228 PolarHBondContact N-O 3.26Å; F2184-I2228 PolarHBondContact O-N 2.97Å; F2184-V2230 HydrophobicContact CD2-CG2 4.09Å; F2184-V2230 HydrophobicContact CE2-CB 4.14Å; F2184-V2230 HydrophobicContact CE2-CG2 3.81Å
2185S84.9Confident76.1Confident73 Ų7363.1 Ų63.151%0.5132%0.323SS..EExtended strand (participates in β ladder)trans-113.1112.7179.2172.20000110.1R2225S2185-R2225 VanDerWaalsContact OG-CD 3.31Å; S2185-R2225 WeakPolarHBondContact OG-CD 3.4Å; S2185-R2225 VanDerWaalsContact OG-CG 3.32Å; S2185-R2225 WeakPolarHBondContact OG-CG 3.48Å
2186V85.4Confident76.4Confident3 Ų358 Ų582%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-114.1151.8177.2-91.40000110.8P2168 I2171 L2226 I2228P2168-V2186 HydrophobicContact CG-CG1 3.96Å; P2168-V2186 WeakPolarHBondContact O-CG1 3.4Å; I2171-V2186 HydrophobicContact CD1-CG1 3.68Å; I2171-V2186 HydrophobicContact CD1-CG2 4.15Å; I2171-V2186 HydrophobicContact CG1-CG1 4.01Å; V2186-L2226 HydrophobicContact CG2-CB 4.25Å; V2186-L2226 PolarHBondContact N-O 3.28Å; V2186-L2226 PolarHBondContact O-N 2.89Å; V2186-L2226 VanDerWaalsContact O-O 3.12Å; V2186-I2228 HydrophobicContact CG2-CD1 3.62Å; V2186-I2228 HydrophobicContact CG2-CG1 3.79Å
2187K85.5Confident76.9Confident123 Ų12365.5 Ų65.554%0.53532%0.322SS..EExtended strand (participates in β ladder)trans-99.3129.4174.3-63.9174.4-176171.90109.4L2166 A2167 V2189 R2224L2166-K2187 CarbonylContact C-O 3.57Å; L2166-K2187 WeakPolarHBondContact CA-O 3.18Å; A2167-K2187 HydrophobicContact CB-CB 4.39Å; A2167-K2187 PolarHBondContact N-O 2.78Å; A2167-K2187 PolarHBondContact O-N 2.85Å; K2187-V2189 HydrophobicContact CB-CG2 4.31Å; K2187-R2224 CarbonylContact C-O 3.5Å; K2187-R2224 WeakPolarHBondContact CA-O 3.4Å
2188L85.7Confident77Confident1 Ų163.2 Ų63.21%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-91.6106.1168.5-172.368.7000108.4L2164 R2165 L2166 F2198 I2218 S2223 R2224 L2226 M2322L2164-L2188 HydrophobicContact CB-CD1 4.06Å; L2164-L2188 HydrophobicContact CB-CG 4.36Å; L2164-L2188 HydrophobicContact CD1-CD2 4.37Å; L2164-L2188 HydrophobicContact CD2-CG 4.36Å; R2165-L2188 CarbonylContact O-C 3.59Å; R2165-L2188 WeakPolarHBondContact O-CA 3.42Å; L2166-L2188 HydrophobicContact CD2-CD1 3.79Å; L2166-L2188 HydrophobicContact CG-CD1 4.43Å; L2188-F2198 HydrophobicContact CD2-CD1 4.34Å; L2188-F2198 HydrophobicContact CD2-CD2 3.43Å; L2188-F2198 VanDerWaalsContact CD2-CD2 3.43Å; L2188-F2198 HydrophobicContact CD2-CE1 4.42Å; L2188-F2198 HydrophobicContact CD2-CE2 3.51Å; L2188-F2198 HydrophobicContact CD2-CG 3.89Å; L2188-F2198 HydrophobicContact CD2-CZ 4.03Å; L2188-I2218 HydrophobicContact CB-CD1 4.49Å; L2188-I2218 HydrophobicContact CD2-CD1 4.07Å; L2188-I2218 HydrophobicContact CG-CD1 4.26Å; L2188-S2223 CarbonylContact O-C 3.56Å; L2188-S2223 WeakPolarHBondContact O-CA 3.32Å; L2188-S2223 VanDerWaalsContact O-CB 3.25Å; L2188-S2223 WeakPolarHBondContact O-CB 3.49Å; L2188-R2224 PolarHBondContact N-O 2.69Å; L2188-R2224 PolarHBondContact O-N 3.38Å; L2188-L2226 HydrophobicContact CB-CD1 3.95Å; L2188-L2226 HydrophobicContact CB-CD2 4.29Å; L2188-L2226 HydrophobicContact CB-CG 4.04Å; L2188-M2322 HydrophobicContact CD1-CE 3.78Å
2189V83.4Confident77.2Confident27 Ų2767.4 Ų67.416%0.16432%0.32CS..EExtended strand (participates in β ladder)trans-99.6136.2-172.9-169.20000110.5L2164 R2165 A2167 K2187L2164-V2189 WeakPolarHBondContact CA-O 3.39Å; R2165-V2189 PolarHBondContact N-O 2.8Å; R2165-V2189 PolarHBondContact O-N 3.26Å; A2167-V2189 HydrophobicContact CB-CG2 3.85Å; K2187-V2189 HydrophobicContact CB-CG2 4.31Å
2190N84.6Confident77.2Confident4 Ų466.5 Ų66.52%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-92.8106.3171.3-177.618000111.3G2163 L2164 G2192 E2194 A2196 I2218 P2219 G2221 L2222G2163-N2190 PolarHBondContact O-OD1 2.69Å; L2164-N2190 HydrophobicContact CD2-CB 3.84Å; N2190-G2192 PolarHBondContact OD1-N 2.77Å; N2190-E2194 PolarHBondContact ND2-O 2.98Å; N2190-A2196 HydrophobicContact CB-CB 4.42Å; N2190-A2196 PolarHBondContact ND2-N 2.83Å; N2190-I2218 HydrophobicContact CB-CB 4.23Å; N2190-I2218 HydrophobicContact CB-CG2 3.67Å; N2190-I2218 PolarHBondContact ND2-O 2.79Å; N2190-P2219 WeakPolarHBondContact CB-O 3.39Å; N2190-P2219 PolarHBondContact ND2-O 2.85Å; N2190-G2221 PolarHBondContact O-N 3.31Å; N2190-L2222 PolarHBondContact N-O 2.93Å
2191W70.1Confident77Confident151 Ų15168.8 Ų68.857%0.57231%0.312SS*.  trans-85.6-9.5177.5-81.273.7000113.2M2161 G2163M2161-W2191 CarbonylContact O-C 3.58Å; G2163-W2191 PolarHBondContact O-N 2.83Å
2192G71.3Confident76.8Confident4 Ų470.5 Ų70.54%0.04132%0.316CS..SBendtrans-80148.6177.800000113M2161 N2190 E2194 A2220M2161-G2192 WeakPolarHBondContact O-CA 3.31Å; M2161-G2192 PolarHBondContact O-N 2.82Å; N2190-G2192 PolarHBondContact OD1-N 2.77Å; G2192-E2194 PolarHBondContact O-N 2.74Å; G2192-A2220 WeakPolarHBondContact O-CA 3.37Å; G2192-A2220 WeakPolarHBondContact O-CB 3.38Å
2193P69.4Low76.4Confident65 Ų6567.5 Ų67.542%0.42231%0.308SS..SBendtrans-72.817.6176.732.7-37.8000113.9L2158L2158-P2193 HydrophobicContact CD2-CG 4.43Å
2194E66.6Low75.2Confident15 Ų1561.5 Ų61.57%0.0729%0.292CS..SBendtrans-141.2142.1-173.5-65.6177.3-144.700109.9R2139 L2143 R2162 N2190 G2192 A2196R2139-E2194 VanDerWaalsContact CD-OE2 3.24Å; R2139-E2194 WeakPolarHBondContact CD-OE2 3.35Å; R2139-E2194 IonicContact CZ-OE2 3.85Å; R2139-E2194 IonicContact NE-OE2 2.7Å; R2139-E2194 IonicContact NH1-OE2 3.96Å; R2139-E2194 PolarHBondContact NH1-OE2 2.98Å; L2143-E2194 HydrophobicContact CD1-CG 3.97Å; R2162-E2194 IonicContact CZ-OE1 2.67Å; R2162-E2194 IonicContact NE-OE1 3.46Å; R2162-E2194 PolarHBondContact NE-OE1 2.83Å; R2162-E2194 VanDerWaalsContact NE-OE1 3.15Å; R2162-E2194 IonicContact NH2-OE1 3.16Å; R2162-E2194 PolarHBondContact NH2-OE1 2.96Å; R2162-E2194 IonicContact NH2-OE2 3.64Å; N2190-E2194 PolarHBondContact ND2-O 2.98Å; G2192-E2194 PolarHBondContact O-N 2.74Å; E2194-A2196 PolarHBondContact O-N 2.94Å
2195T75.2Confident74.1Confident60 Ų6065 Ų6537%0.36831%0.311SS..  trans-59.2118.4179.5-53.40000112.1Y2197 P2217 I2218T2195-Y2197 HydrophobicContact CG2-CE2 4.1Å; T2195-P2217 HydrophobicContact CG2-CB 3.69Å; T2195-I2218 WeakPolarHBondContact CA-O 3.38Å
2196A72.1Confident72.9Confident19 Ų1968.3 Ų68.316%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-91.4138.2179.900000111.5L2164 N2190 E2194 P2217 I2218L2164-A2196 HydrophobicContact CD1-CB 4.23Å; L2164-A2196 HydrophobicContact CD2-CB 3.83Å; L2164-A2196 HydrophobicContact CG-CB 4.06Å; N2190-A2196 HydrophobicContact CB-CB 4.42Å; N2190-A2196 PolarHBondContact ND2-N 2.83Å; E2194-A2196 PolarHBondContact O-N 2.94Å; A2196-P2217 CarbonylContact O-C 3.57Å; A2196-P2217 WeakPolarHBondContact O-CA 3.48Å; A2196-I2218 PolarHBondContact N-O 3.2Å; A2196-I2218 PolarHBondContact O-N 3.44Å
2197Y72.4Confident71.9Confident177 Ų17770.4 Ų70.469%0.69433%0.333SS*.EExtended strand (participates in β ladder)trans-112.8129.7174.7-70.1-104.2000108.5T2195 P2217T2195-Y2197 HydrophobicContact CG2-CE2 4.1Å; Y2197-P2217 HydrophobicContact CD1-CB 4Å; Y2197-P2217 HydrophobicContact CE1-CB 3.66Å; Y2197-P2217 HydrophobicContact CE1-CG 4.17Å; Y2197-P2217 HydrophobicContact CE2-CB 4.31Å; Y2197-P2217 HydrophobicContact CG-CB 4.47Å
2198F71.2Confident71.3Confident21 Ų2165.2 Ų65.29%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-136.4155.2-173.481.7-72000113L2164 L2188 I2200 Y2213 T2214 G2216 I2218 L2226L2164-F2198 HydrophobicContact CD1-CB 3.66Å; L2164-F2198 HydrophobicContact CD1-CG 4.34Å; L2188-F2198 HydrophobicContact CD2-CD1 4.34Å; L2188-F2198 HydrophobicContact CD2-CD2 3.43Å; L2188-F2198 VanDerWaalsContact CD2-CD2 3.43Å; L2188-F2198 HydrophobicContact CD2-CE1 4.42Å; L2188-F2198 HydrophobicContact CD2-CE2 3.51Å; L2188-F2198 HydrophobicContact CD2-CG 3.89Å; L2188-F2198 HydrophobicContact CD2-CZ 4.03Å; F2198-I2200 HydrophobicContact CD2-CG1 4.01Å; F2198-I2200 HydrophobicContact CE2-CD1 4.22Å; F2198-I2200 HydrophobicContact CE2-CG1 4.11Å; F2198-Y2213 HydrophobicContact CD2-CD2 4.47Å; F2198-Y2213 AromaticContact CE2-CD2 3.57Å; F2198-Y2213 HydrophobicContact CE2-CD2 3.57Å; F2198-Y2213 HydrophobicContact CE2-CE2 4.03Å; F2198-Y2213 HydrophobicContact CE2-CG 4.37Å; F2198-Y2213 AromaticContact CZ-CD2 3.95Å; F2198-Y2213 HydrophobicContact CZ-CD2 3.95Å; F2198-T2214 WeakPolarHBondContact CZ-O 3.19Å; F2198-G2216 VanDerWaalsContact CD1-O 3.27Å; F2198-G2216 WeakPolarHBondContact CD1-O 3.11Å; F2198-G2216 WeakPolarHBondContact CE1-O 3.35Å; F2198-I2218 HydrophobicContact CD1-CD1 3.7Å; F2198-I2218 HydrophobicContact CD1-CG1 3.98Å; F2198-I2218 HydrophobicContact CE1-CD1 3.55Å; F2198-I2218 HydrophobicContact CE1-CG1 3.8Å; F2198-I2218 HydrophobicContact CZ-CD1 4.26Å; F2198-L2226 HydrophobicContact CE2-CD2 4.29Å
2199R70.2Confident70.9Confident202 Ų20266.3 Ų66.376%0.76232%0.32SS*.  trans-141.8131.3163.4-68.7-177.9179.1172.5-2.1106.9Y2213R2199-Y2213 WeakPolarHBondContact CA-OH 3.24Å
2200I69.8Low70.8Confident16 Ų1669.9 Ų69.98%0.08233%0.331CS..PPolyproline II helixtrans-90.6138.6171.2-55.7177.3000107.5F2198 V2211 Y2213 L2226 L2325F2198-I2200 HydrophobicContact CD2-CG1 4.01Å; F2198-I2200 HydrophobicContact CE2-CD1 4.22Å; F2198-I2200 HydrophobicContact CE2-CG1 4.11Å; I2200-V2211 HydrophobicContact CD1-CG1 3.98Å; I2200-V2211 HydrophobicContact CG2-CB 4.46Å; I2200-V2211 HydrophobicContact CG2-CG1 4.27Å; I2200-Y2213 HydrophobicContact CB-CD1 3.91Å; I2200-Y2213 HydrophobicContact CB-CE1 3.71Å; I2200-Y2213 HydrophobicContact CB-CG 4.44Å; I2200-Y2213 HydrophobicContact CD1-CD1 4.38Å; I2200-Y2213 HydrophobicContact CD1-CG 4.25Å; I2200-Y2213 HydrophobicContact CG1-CD1 4.39Å; I2200-Y2213 HydrophobicContact CG1-CE1 4.49Å; I2200-Y2213 HydrophobicContact CG1-CG 4.43Å; I2200-Y2213 PolarHBondContact N-OH 2.91Å; I2200-Y2213 VanDerWaalsContact O-CE1 3.3Å; I2200-Y2213 WeakPolarHBondContact O-CE1 3.38Å; I2200-Y2213 PolarHBondContact O-OH 2.93Å; I2200-L2226 HydrophobicContact CD1-CD1 3.6Å; I2200-L2226 HydrophobicContact CD1-CD2 3.69Å; I2200-L2226 HydrophobicContact CD1-CG 4.29Å; I2200-L2325 HydrophobicContact CG2-CD2 4.48Å
2201K70.1Confident70.7Confident105 Ų10570 Ų7046%0.45733%0.332SS..PPolyproline II helixtrans-91.8124.2172.8-168.7-173.5-179.6-165.50106.9L2203 L2325 T2327 G2328K2201-L2203 PolarHBondContact O-N 3.24Å; K2201-L2325 PolarHBondContact N-O 3.29Å; K2201-L2325 VanDerWaalsContact N-O 3.08Å; K2201-T2327 WeakPolarHBondContact CD-O 3.46Å; K2201-T2327 PolarHBondContact NZ-O 2.89Å; K2201-G2328 PolarHBondContact NZ-O 2.8Å
2202Q75.8Confident71.4Confident90 Ų9067.7 Ų67.742%0.42133%0.326SS..PPolyproline II helixtrans-59.5133.9-179.8-172.570.7-2200109.8V2211Q2202-V2211 PolarHBondContact OE1-O 3.48Å
2203L69.8Low71.9Confident41 Ų4170.8 Ų70.822%0.21534%0.337CS..PPolyproline II helixtrans-65.4152.6174.9-74.4168.9000110.7K2201 I2209 L2325K2201-L2203 PolarHBondContact O-N 3.24Å; L2203-I2209 HydrophobicContact CD1-CB 3.85Å; L2203-I2209 HydrophobicContact CD1-CG2 3.72Å; L2203-L2325 HydrophobicContact CD1-CD2 3.75Å; L2203-L2325 HydrophobicContact CD2-CD2 4.29Å; L2203-L2325 HydrophobicContact CG-CD2 3.88Å
2204P63.5Low72.3Confident52 Ų5271.9 Ų71.934%0.33834%0.342SS..PPolyproline II helixtrans-58.7142.5173.4-22.433.9000111.5H2206 S2207P2204-H2206 WeakPolarHBondContact CB-CE1 3.37Å; P2204-H2206 VanDerWaalsContact CB-NE2 3.33Å; P2204-H2206 WeakPolarHBondContact CB-NE2 3.17Å; P2204-H2206 PolarHBondContact O-N 3.49Å; P2204-S2207 VanDerWaalsContact O-CB 3.31Å; P2204-S2207 WeakPolarHBondContact O-CB 3.34Å; P2204-S2207 PolarHBondContact O-N 3.3Å; P2204-S2207 PolarHBondContact O-OG 3.11Å
2205I58.2Low72.7Confident116 Ų11675.4 Ų75.460%0.59537%0.367SS*.G310 helixtrans-57.1-37.9-174.2-59.4170000111.6S2207 G2208I2205-S2207 PolarHBondContact O-N 3.26Å; I2205-G2208 PolarHBondContact O-N 3.29Å
2206H60.3Low72.7Confident142 Ų14273.4 Ų73.466%0.65736%0.358SS*.G310 helixtrans-64.4-7.3177.256.6-115.3000115.3P2204P2204-H2206 WeakPolarHBondContact CB-CE1 3.37Å; P2204-H2206 VanDerWaalsContact CB-NE2 3.33Å; P2204-H2206 WeakPolarHBondContact CB-NE2 3.17Å; P2204-H2206 PolarHBondContact O-N 3.49Å
2207S65.3Low73.1Confident47 Ų4775.1 Ų75.133%0.32937%0.367SS..G310 helixtrans-75.3-13.7169.366.30000113.2P2204 I2205 I2209P2204-S2207 VanDerWaalsContact O-CB 3.31Å; P2204-S2207 WeakPolarHBondContact O-CB 3.34Å; P2204-S2207 PolarHBondContact O-N 3.3Å; P2204-S2207 PolarHBondContact O-OG 3.11Å; I2205-S2207 PolarHBondContact O-N 3.26Å; S2207-I2209 PolarHBondContact O-N 3.27Å; S2207-I2209 PolarHBondContact OG-N 2.88Å; S2207-I2209 PolarHBondContact OG-O 3.35Å
2208G71.2Confident73.4Confident15 Ų1566.8 Ų66.816%0.15534%0.335CS..SBendtrans68.63.7-169.400000114I2205 V2230 S2231I2205-G2208 PolarHBondContact O-N 3.29Å; G2208-V2230 CarbonylContact O-C 3.56Å; G2208-V2230 WeakPolarHBondContact O-CA 3.46Å; G2208-S2231 WeakPolarHBondContact CA-O 2.95Å; G2208-S2231 PolarHBondContact O-N 2.78Å; G2208-S2231 PolarHBondContact O-OG 2.87Å
2209I78.8Confident74Confident23 Ų2368.4 Ų68.412%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-116.7128.1-173.7-56.9172.2000110.9L2203 S2207 V2211 I2228 E2229 V2230 L2313L2203-I2209 HydrophobicContact CD1-CB 3.85Å; L2203-I2209 HydrophobicContact CD1-CG2 3.72Å; S2207-I2209 PolarHBondContact O-N 3.27Å; S2207-I2209 PolarHBondContact OG-N 2.88Å; S2207-I2209 PolarHBondContact OG-O 3.35Å; I2209-V2211 HydrophobicContact CG2-CG2 4.46Å; I2209-I2228 HydrophobicContact CG2-CG2 3.83Å; I2209-E2229 CarbonylContact C-O 3.52Å; I2209-E2229 VanDerWaalsContact CA-O 3.29Å; I2209-E2229 WeakPolarHBondContact CA-O 3.49Å; I2209-V2230 HydrophobicContact CG1-CG1 4.4Å; I2209-V2230 HydrophobicContact CG1-CG2 4.37Å; I2209-L2313 HydrophobicContact CD1-CD2 4.12Å
2210R80.7Confident74.4Confident103 Ų10360.9 Ų60.939%0.38933%0.329SS..EExtended strand (participates in β ladder)trans-123.4139.9175.8-60.4-162.5-64.8-148.40.4110.5F2212 I2228 E2229R2210-F2212 HydrophobicContact CB-CE2 4.13Å; R2210-F2212 HydrophobicContact CB-CZ 4.32Å; R2210-I2228 CarbonylContact O-C 3.47Å; R2210-I2228 WeakPolarHBondContact O-CA 3.35Å; R2210-E2229 HydrophobicContact CB-CB 4.29Å; R2210-E2229 IonicContact CZ-OE2 2.89Å; R2210-E2229 PolarHBondContact N-O 2.87Å; R2210-E2229 IonicContact NE-OE2 3.44Å; R2210-E2229 PolarHBondContact NE-OE2 3.26Å; R2210-E2229 VanDerWaalsContact NH2-CD 3.34Å; R2210-E2229 IonicContact NH2-OE1 3.87Å; R2210-E2229 PolarHBondContact NH2-OE1 3.46Å; R2210-E2229 IonicContact NH2-OE2 3.74Å; R2210-E2229 PolarHBondContact NH2-OE2 2.93Å; R2210-E2229 PolarHBondContact O-N 3.14Å
2211V83.1Confident74.9Confident6 Ų662.3 Ų62.34%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-12599.8-176.5-173.30000111.5I2200 Q2202 I2209 I2228 L2325I2200-V2211 HydrophobicContact CD1-CG1 3.98Å; I2200-V2211 HydrophobicContact CG2-CB 4.46Å; I2200-V2211 HydrophobicContact CG2-CG1 4.27Å; Q2202-V2211 PolarHBondContact OE1-O 3.48Å; I2209-V2211 HydrophobicContact CG2-CG2 4.46Å; V2211-I2228 HydrophobicContact CG1-CG1 4.24Å; V2211-I2228 HydrophobicContact CG2-CG1 4.19Å; V2211-L2325 HydrophobicContact CG2-CD2 4.11Å
2212F83.8Confident75.7Confident102 Ų10261.4 Ų61.445%0.44735%0.347SS..EExtended strand (participates in β ladder)trans-82.4130.4176.1-54.1-86.1000110.4R2210 L2226 T2227 E2229R2210-F2212 HydrophobicContact CB-CE2 4.13Å; R2210-F2212 HydrophobicContact CB-CZ 4.32Å; F2212-L2226 WeakPolarHBondContact O-CA 3.28Å; F2212-T2227 HydrophobicContact CD2-CG2 4.5Å; F2212-T2227 WeakPolarHBondContact CD2-O 3.5Å; F2212-T2227 PolarHBondContact N-O 3.03Å; F2212-T2227 PolarHBondContact O-N 3.4Å; F2212-E2229 HydrophobicContact CE2-CB 3.99Å; F2212-E2229 WeakPolarHBondContact CE2-OE2 3.28Å
2213Y82.5Confident76.3Confident69 Ų6959.7 Ų59.727%0.27135%0.345SS..EExtended strand (participates in β ladder)trans-150.1155.1-179.177.3-81.1000112.8F2198 R2199 I2200 P2215 L2226F2198-Y2213 HydrophobicContact CD2-CD2 4.47Å; F2198-Y2213 AromaticContact CE2-CD2 3.57Å; F2198-Y2213 HydrophobicContact CE2-CD2 3.57Å; F2198-Y2213 HydrophobicContact CE2-CE2 4.03Å; F2198-Y2213 HydrophobicContact CE2-CG 4.37Å; F2198-Y2213 AromaticContact CZ-CD2 3.95Å; F2198-Y2213 HydrophobicContact CZ-CD2 3.95Å; R2199-Y2213 WeakPolarHBondContact CA-OH 3.24Å; I2200-Y2213 HydrophobicContact CB-CD1 3.91Å; I2200-Y2213 HydrophobicContact CB-CE1 3.71Å; I2200-Y2213 HydrophobicContact CB-CG 4.44Å; I2200-Y2213 HydrophobicContact CD1-CD1 4.38Å; I2200-Y2213 HydrophobicContact CD1-CG 4.25Å; I2200-Y2213 HydrophobicContact CG1-CD1 4.39Å; I2200-Y2213 HydrophobicContact CG1-CE1 4.49Å; I2200-Y2213 HydrophobicContact CG1-CG 4.43Å; I2200-Y2213 PolarHBondContact N-OH 2.91Å; I2200-Y2213 VanDerWaalsContact O-CE1 3.3Å; I2200-Y2213 WeakPolarHBondContact O-CE1 3.38Å; I2200-Y2213 PolarHBondContact O-OH 2.93Å; Y2213-P2215 HydrophobicContact CD2-CB 4.46Å; Y2213-P2215 HydrophobicContact CE2-CB 3.88Å; Y2213-L2226 VanDerWaalsContact CB-CD2 3.44Å
2214T77.6Confident77Confident88 Ų8860.8 Ų60.854%0.5435%0.346SS..  trans-97.8118.9168.746.10000110.1F2198 R2224F2198-T2214 WeakPolarHBondContact CZ-O 3.19Å; T2214-R2224 WeakPolarHBondContact O-CD 3.35Å
2215P74.2Confident78Confident89 Ų8966.6 Ų66.658%0.57836%0.361SS*.  trans-72.4145.3-178.228.4-34.5000112Y2213Y2213-P2215 HydrophobicContact CD2-CB 4.46Å; Y2213-P2215 HydrophobicContact CE2-CB 3.88Å
2216G75.3Confident79.4Confident18 Ų1861.2 Ų61.219%0.18633%0.334CS..EExtended strand (participates in β ladder)trans161.3-179.6172.500000114.7F2198 R2224F2198-G2216 VanDerWaalsContact CD1-O 3.27Å; F2198-G2216 WeakPolarHBondContact CD1-O 3.11Å; F2198-G2216 WeakPolarHBondContact CE1-O 3.35Å; G2216-R2224 PolarHBondContact O-NH1 3.41Å
2217P81.3Confident80.5Confident55 Ų5555.9 Ų55.936%0.35731%0.312SS..EExtended strand (participates in β ladder)trans-70.9136.9171.927.1-32.3000111.7T2195 A2196 Y2197 R2224T2195-P2217 HydrophobicContact CG2-CB 3.69Å; A2196-P2217 CarbonylContact O-C 3.57Å; A2196-P2217 WeakPolarHBondContact O-CA 3.48Å; Y2197-P2217 HydrophobicContact CD1-CB 4Å; Y2197-P2217 HydrophobicContact CE1-CB 3.66Å; Y2197-P2217 HydrophobicContact CE1-CG 4.17Å; Y2197-P2217 HydrophobicContact CE2-CB 4.31Å; Y2197-P2217 HydrophobicContact CG-CB 4.47Å; P2217-R2224 VanDerWaalsContact C-NH1 3.25Å; P2217-R2224 PolarHBondContact O-NH1 3.24Å; P2217-R2224 PolarHBondContact O-NH2 3.21Å
2218I79.4Confident81.6Confident2 Ų254.4 Ų54.41%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-110.8108.8169.1-55.2175.7000107.3L2164 L2188 N2190 T2195 A2196 F2198 L2222 R2224L2164-I2218 HydrophobicContact CD2-CD1 3.97Å; L2188-I2218 HydrophobicContact CB-CD1 4.49Å; L2188-I2218 HydrophobicContact CD2-CD1 4.07Å; L2188-I2218 HydrophobicContact CG-CD1 4.26Å; N2190-I2218 HydrophobicContact CB-CB 4.23Å; N2190-I2218 HydrophobicContact CB-CG2 3.67Å; N2190-I2218 PolarHBondContact ND2-O 2.79Å; T2195-I2218 WeakPolarHBondContact CA-O 3.38Å; A2196-I2218 PolarHBondContact N-O 3.2Å; A2196-I2218 PolarHBondContact O-N 3.44Å; F2198-I2218 HydrophobicContact CD1-CD1 3.7Å; F2198-I2218 HydrophobicContact CD1-CG1 3.98Å; F2198-I2218 HydrophobicContact CE1-CD1 3.55Å; F2198-I2218 HydrophobicContact CE1-CG1 3.8Å; F2198-I2218 HydrophobicContact CZ-CD1 4.26Å; I2218-L2222 HydrophobicContact CG2-CB 4.24Å; I2218-L2222 WeakPolarHBondContact CG2-O 3.41Å; I2218-R2224 HydrophobicContact CD1-CB 4.29Å; I2218-R2224 HydrophobicContact CG1-CG 4.36Å; I2218-R2224 VanDerWaalsContact CG1-NH1 3.28Å
2219P83.7Confident82.2Confident55 Ų5553.7 Ų53.736%0.35729%0.292SS..  trans-57.4163.5172.1-2737000113N2190 L2222N2190-P2219 WeakPolarHBondContact CB-O 3.39Å; N2190-P2219 PolarHBondContact ND2-O 2.85Å; P2219-L2222 HydrophobicContact CB-CB 4.48Å; P2219-L2222 HydrophobicContact CB-CD1 3.95Å; P2219-L2222 HydrophobicContact CB-CG 4.24Å; P2219-L2222 HydrophobicContact CG-CD1 3.9Å; P2219-L2222 PolarHBondContact O-N 3.09Å
2220A79Confident82.5Confident44 Ų4453.6 Ų53.636%0.36429%0.293SS..THydrogen-bonded Turntrans-56.3139.717500000111.1G2192 L2222G2192-A2220 WeakPolarHBondContact O-CA 3.37Å; G2192-A2220 WeakPolarHBondContact O-CB 3.38Å; A2220-L2222 PolarHBondContact O-N 3.48Å
2221G79.4Confident82.4Confident46 Ų4649.8 Ų49.847%0.47428%0.282SS..THydrogen-bonded Turntrans72.5-16.7-178.600000115.6N2190N2190-G2221 PolarHBondContact O-N 3.31Å
2222L87.5Confident81.9Confident86 Ų8650.5 Ų50.545%0.4529%0.286SS..  trans-85.9168.5178.7-63.5-169.7000112.7N2190 I2218 P2219 A2220N2190-L2222 PolarHBondContact N-O 2.93Å; I2218-L2222 HydrophobicContact CG2-CB 4.24Å; I2218-L2222 WeakPolarHBondContact CG2-O 3.41Å; P2219-L2222 HydrophobicContact CB-CB 4.48Å; P2219-L2222 HydrophobicContact CB-CD1 3.95Å; P2219-L2222 HydrophobicContact CB-CG 4.24Å; P2219-L2222 HydrophobicContact CG-CD1 3.9Å; P2219-L2222 PolarHBondContact O-N 3.09Å; A2220-L2222 PolarHBondContact O-N 3.48Å
2223S87.1Confident80.9Confident54 Ų5450.8 Ų50.838%0.37829%0.288SS..EExtended strand (participates in β ladder)trans-140.4162.5178.3670000113.2L2188L2188-S2223 CarbonylContact O-C 3.56Å; L2188-S2223 WeakPolarHBondContact O-CA 3.32Å; L2188-S2223 VanDerWaalsContact O-CB 3.25Å; L2188-S2223 WeakPolarHBondContact O-CB 3.49Å
2224R84.4Confident79.4Confident65 Ų6552 Ų5225%0.24529%0.292CS..EExtended strand (participates in β ladder)trans-120.1147165.2-88.1-162-17773.29.1111.4K2187 L2188 T2214 G2216 P2217 I2218K2187-R2224 CarbonylContact C-O 3.5Å; K2187-R2224 WeakPolarHBondContact CA-O 3.4Å; L2188-R2224 PolarHBondContact N-O 2.69Å; L2188-R2224 PolarHBondContact O-N 3.38Å; T2214-R2224 WeakPolarHBondContact O-CD 3.35Å; G2216-R2224 PolarHBondContact O-NH1 3.41Å; P2217-R2224 VanDerWaalsContact C-NH1 3.25Å; P2217-R2224 PolarHBondContact O-NH1 3.24Å; P2217-R2224 PolarHBondContact O-NH2 3.21Å; I2218-R2224 HydrophobicContact CD1-CB 4.29Å; I2218-R2224 HydrophobicContact CG1-CG 4.36Å; I2218-R2224 VanDerWaalsContact CG1-NH1 3.28Å
2225R85.3Confident77.7Confident173 Ų17354.9 Ų54.965%0.65330%0.299SS*.EExtended strand (participates in β ladder)trans-72.2132.9170.9-158.4176.890.3-173.86.3110.4S2185S2185-R2225 VanDerWaalsContact OG-CD 3.31Å; S2185-R2225 WeakPolarHBondContact OG-CD 3.4Å; S2185-R2225 VanDerWaalsContact OG-CG 3.32Å; S2185-R2225 WeakPolarHBondContact OG-CG 3.48Å
2226L87.4Confident76.1Confident3 Ų355.7 Ų55.72%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-113.9147.9163.9-45.8178.4000107.6L2166 V2186 L2188 F2198 I2200 F2212 Y2213L2166-L2226 HydrophobicContact CD2-CD1 3.62Å; V2186-L2226 HydrophobicContact CG2-CB 4.25Å; V2186-L2226 PolarHBondContact N-O 3.28Å; V2186-L2226 PolarHBondContact O-N 2.89Å; V2186-L2226 VanDerWaalsContact O-O 3.12Å; L2188-L2226 HydrophobicContact CB-CD1 3.95Å; L2188-L2226 HydrophobicContact CB-CD2 4.29Å; L2188-L2226 HydrophobicContact CB-CG 4.04Å; F2198-L2226 HydrophobicContact CE2-CD2 4.29Å; I2200-L2226 HydrophobicContact CD1-CD1 3.6Å; I2200-L2226 HydrophobicContact CD1-CD2 3.69Å; I2200-L2226 HydrophobicContact CD1-CG 4.29Å; F2212-L2226 WeakPolarHBondContact O-CA 3.28Å; Y2213-L2226 VanDerWaalsContact CB-CD2 3.44Å
2227T84.7Confident74.1Confident31 Ų3162.1 Ų62.119%0.1933%0.328CS..EExtended strand (participates in β ladder)trans-117113.7170.2-62.60000108.5R2183 F2184 F2212R2183-T2227 HydrophobicContact CB-CG2 4.4Å; F2184-T2227 CarbonylContact O-C 3.56Å; F2184-T2227 WeakPolarHBondContact O-CA 3.49Å; F2212-T2227 HydrophobicContact CD2-CG2 4.5Å; F2212-T2227 WeakPolarHBondContact CD2-O 3.5Å; F2212-T2227 PolarHBondContact N-O 3.03Å; F2212-T2227 PolarHBondContact O-N 3.4Å
2228I87Confident71.4Confident15 Ų1567.7 Ų67.78%0.07735%0.354CS..EExtended strand (participates in β ladder)trans-95.4127.4176.1-58.5-174000107.5I2171 R2183 F2184 V2186 I2209 R2210 V2211 V2230I2171-I2228 HydrophobicContact CD1-CD1 3.99Å; R2183-I2228 CarbonylContact C-O 3.59Å; R2183-I2228 WeakPolarHBondContact CA-O 3.19Å; F2184-I2228 PolarHBondContact N-O 3.26Å; F2184-I2228 PolarHBondContact O-N 2.97Å; V2186-I2228 HydrophobicContact CG2-CD1 3.62Å; V2186-I2228 HydrophobicContact CG2-CG1 3.79Å; I2209-I2228 HydrophobicContact CG2-CG2 3.83Å; R2210-I2228 CarbonylContact O-C 3.47Å; R2210-I2228 WeakPolarHBondContact O-CA 3.35Å; V2211-I2228 HydrophobicContact CG1-CG1 4.24Å; V2211-I2228 HydrophobicContact CG2-CG1 4.19Å; I2228-V2230 HydrophobicContact CG2-CG2 4.27Å
2229E84Confident69Low1 Ų175.5 Ų75.51%0.00539%0.391CS..EExtended strand (participates in β ladder)trans-114.1131.3177.5178.8178.9-128.100108.3T2181 R2182 R2183 I2209 R2210 F2212T2181-E2229 HydrophobicContact CG2-CG 3.35Å; R2182-E2229 CarbonylContact O-C 3.48Å; R2182-E2229 WeakPolarHBondContact O-CA 3.16Å; R2183-E2229 HydrophobicContact CG-CB 4.04Å; R2183-E2229 HydrophobicContact CG-CG 3.86Å; R2183-E2229 IonicContact CZ-OE1 3.68Å; R2183-E2229 IonicContact NE-OE1 3.78Å; R2183-E2229 PolarHBondContact NE-OE1 2.85Å; R2183-E2229 IonicContact NH2-OE1 2.77Å; R2183-E2229 PolarHBondContact NH2-OE1 2.84Å; I2209-E2229 CarbonylContact C-O 3.52Å; I2209-E2229 VanDerWaalsContact CA-O 3.29Å; I2209-E2229 WeakPolarHBondContact CA-O 3.49Å; R2210-E2229 HydrophobicContact CB-CB 4.29Å; R2210-E2229 IonicContact CZ-OE2 2.89Å; R2210-E2229 PolarHBondContact N-O 2.87Å; R2210-E2229 IonicContact NE-OE2 3.44Å; R2210-E2229 PolarHBondContact NE-OE2 3.26Å; R2210-E2229 VanDerWaalsContact NH2-CD 3.34Å; R2210-E2229 IonicContact NH2-OE1 3.87Å; R2210-E2229 PolarHBondContact NH2-OE1 3.46Å; R2210-E2229 IonicContact NH2-OE2 3.74Å; R2210-E2229 PolarHBondContact NH2-OE2 2.93Å; R2210-E2229 PolarHBondContact O-N 3.14Å; F2212-E2229 HydrophobicContact CE2-CB 3.99Å; F2212-E2229 WeakPolarHBondContact CE2-OE2 3.28Å
2230V86.3Confident66.3Low21 Ų2177.3 Ų77.313%0.12740%0.404CS..EExtended strand (participates in β ladder)trans-122.9123.3-179.7-172.60000108.2L2176 T2181 R2182 F2184 G2208 I2209 I2228L2176-V2230 HydrophobicContact CD2-CG1 4.39Å; L2176-V2230 WeakPolarHBondContact CD2-O 3.47Å; T2181-V2230 CarbonylContact C-O 3.55Å; T2181-V2230 VanDerWaalsContact CA-O 3.32Å; T2181-V2230 WeakPolarHBondContact CA-O 3.25Å; R2182-V2230 PolarHBondContact N-O 2.76Å; R2182-V2230 PolarHBondContact O-N 2.81Å; F2184-V2230 HydrophobicContact CD2-CG2 4.09Å; F2184-V2230 HydrophobicContact CE2-CB 4.14Å; F2184-V2230 HydrophobicContact CE2-CG2 3.81Å; G2208-V2230 CarbonylContact O-C 3.56Å; G2208-V2230 WeakPolarHBondContact O-CA 3.46Å; I2209-V2230 HydrophobicContact CG1-CG1 4.4Å; I2209-V2230 HydrophobicContact CG1-CG2 4.37Å; I2228-V2230 HydrophobicContact CG2-CG2 4.27Å
2231S78.1Confident63.5Low22 Ų2285.2 Ų85.215%0.15443%0.427CS..EExtended strand (participates in β ladder)trans-129.7126.7-175.957.90000111.3V2180 T2181 G2208 Q2233V2180-S2231 WeakPolarHBondContact O-CA 3.32Å; T2181-S2231 WeakPolarHBondContact OG1-CB 2.99Å; G2208-S2231 WeakPolarHBondContact CA-O 2.95Å; G2208-S2231 PolarHBondContact O-N 2.78Å; G2208-S2231 PolarHBondContact O-OG 2.87Å; S2231-Q2233 PolarHBondContact O-N 3.17Å
2232N72.9Confident61.1Low22 Ų2288.9 Ų88.912%0.11844%0.442CS..  trans-9985.2177.6-177.913.2000109.7L2176 Y2178 G2179 V2180L2176-N2232 HydrophobicContact CB-CB 4.06Å; L2176-N2232 HydrophobicContact CD2-CB 3.82Å; L2176-N2232 HydrophobicContact CG-CB 4.45Å; L2176-N2232 PolarHBondContact O-ND2 3.05Å; Y2178-N2232 CarbonylContact C-O 3.51Å; G2179-N2232 PolarHBondContact N-O 3.14Å; V2180-N2232 PolarHBondContact O-N 3.08Å
2233Q62.1Low58.1Low108 Ų10889.6 Ų89.651%0.50545%0.454SS..  trans-130.3126.7-178.3-67.3179.7-9.300108.9G2179 S2231G2179-Q2233 PolarHBondContact O-NE2 2.85Å; S2231-Q2233 PolarHBondContact O-N 3.17Å
2234R50.3Low55.1Low95 Ų9593.1 Ų93.136%0.35847%0.469SS..  trans-69.2130.4157.1-72.3172.6176.6177.9-3.1105.2Y2178 D2236 D2304Y2178-R2234 HydrophobicContact CE2-CB 3.88Å; Y2178-R2234 HydrophobicContact CE2-CG 3.91Å; Y2178-R2234 VanDerWaalsContact CE2-N 3.29Å; Y2178-R2234 WeakPolarHBondContact OH-CB 3.39Å; Y2178-R2234 PolarHBondContact OH-O 3.42Å; R2234-D2236 PolarHBondContact O-N 3.46Å; R2234-D2304 IonicContact CZ-OD1 3.95Å; R2234-D2304 IonicContact NH1-OD1 3.53Å; R2234-D2304 PolarHBondContact NH1-OD1 3.44Å; R2234-D2304 IonicContact NH2-OD1 3.25Å; R2234-D2304 PolarHBondContact NH2-OD1 3.27Å
2235Q42.7Very low52.2Low147 Ų14794.7 Ų94.769%0.68748%0.479SS*.  trans-89.578.4158.8-72.9-169.1-8000107.2L2237Q2235-L2237 PolarHBondContact O-N 3.05Å
2236D40.3Very low49.3Very low106 Ų10694 Ų9457%0.56748%0.483SS*.  trans-60.9129.3164.7-62.3-46000108R2234R2234-D2236 PolarHBondContact O-N 3.46Å
2237L33.3Very low46.4Very low153 Ų15399.2 Ų99.280%0.80152%0.515SS*.  trans57.498.6177.8-56.2177.9000116.3Q2235 E2239Q2235-L2237 PolarHBondContact O-N 3.05Å; L2237-E2239 PolarHBondContact O-N 3Å
2238L25.7Very low43.5Very low173 Ų173104.8 Ų104.891%0.90654%0.543SS*.  trans-69.162.6157.8-173.684.2000110.6S2240L2238-S2240 PolarHBondContact O-N 3.35Å
2239E28.1Very low40.7Very low166 Ų166109.2 Ų109.278%0.77657%0.567SS**  trans-80.7106.8178-163.7158.4-11900110.8L2237L2237-E2239 PolarHBondContact O-N 3Å
2240S26.1Very low37.8Very low92 Ų92118.9 Ų118.964%0.64360%0.603SS**  trans13.6115.7167.656.70000119.2L2238 P2242L2238-S2240 PolarHBondContact O-N 3.35Å; S2240-P2242 VanDerWaalsContact O-CD 3.22Å; S2240-P2242 WeakPolarHBondContact O-CD 3.39Å
2241Y20.7Very low34.9Very low211 Ų211128.6 Ų128.683%0.82764%0.638SS**PPolyproline II helixtrans-50.6120.2158.7-76.4-100000112
2242P29.4Very low32.4Very low122 Ų122133.7 Ų133.779%0.79266%0.663SS**PPolyproline II helixtrans-74.8142.3156.4-7.626.9000108.9S2240S2240-P2242 VanDerWaalsContact O-CD 3.22Å; S2240-P2242 WeakPolarHBondContact O-CD 3.39Å
2243S23.6Very low30.1Very low102 Ų102139.5 Ų139.571%0.71369%0.689SS**PPolyproline II helixtrans-94.2136.9-174.3-63.30000113.8
2244N24.5Very low28.3Very low127 Ų127142.5 Ų142.568%0.67970%0.703SS**  trans71.6160.7150.6-60.2-16.6000120.1
2245Q24.9Very low27.3Very low99 Ų99144.2 Ų144.246%0.46372%0.724SS.*  trans72.7140.9158.1-75165.8-8.800117.7S1831S1831-Q2245 PolarHBondContact O-NE2 2.83Å; S1831-Q2245 PolarHBondContact O-OE1 2.9Å
2246Q24.5Very low26.4Very low158 Ų158144.1 Ų144.174%0.73873%0.729SS**  cis-168.9164.5-20.8-136.8178.4-25.200109.5
2247V24.7Very low25.7Very low112 Ų112144.7 Ų144.768%0.67973%0.731SS**  trans59.6108.5158.8174.90000115.9
2248D25.2Very low25.3Very low149 Ų149145.5 Ų145.580%0.79773%0.731SS**  69.8147.370.3-78-48000116.8
2249D26.9Very low25.3Very low107 Ų107142.1 Ų142.157%0.57273%0.728SS**  trans75.495.3163.1-78-6.7000122.8
2250R24.7Very low25.1Very low204 Ų204140.6 Ų140.677%0.7772%0.721SS**  61.7113.5119.6-64.3175.6-131.5-17013.1120.6
2251R24.3Very low25Very low226 Ų226138.9 Ų138.985%0.85371%0.709SS**  171155.297.5-104.7176.2166.6152.4-4.6114.6
2252L24.8Very low25.1Very low129 Ų129133.4 Ų133.468%0.67569%0.687SS**  trans53.6120.9155.7-86.766.7000117.2
2253E25Very low24.8Very low144 Ų144135.6 Ų135.667%0.67368%0.684SS**  95.9128.457.2-86.9179.3-135.700112.7
2254Q25.6Very low24.7Very low171 Ų171136.4 Ų136.480%0.79969%0.69SS**  trans68.1149.9165.5-56.1167.531.800115.2
2255T27.9Very low24.5Very low131 Ų131135.8 Ų135.880%0.80469%0.694SS**  cis-125.51590.948.80000112.3
2256D25.2Very low24.4Very low145 Ų145139.7 Ų139.778%0.77571%0.712SS**  trans-83.9160.1178.3-84.6-59.1000115.6
2257N25.5Very low24.3Very low117 Ų117137 Ų13763%0.62671%0.71SS**  trans68.2119.8143.8-73.1-29.9000123.7
2258Q24.2Very low24.2Very low171 Ų171139.2 Ų139.280%0.79972%0.719SS**  57.5109120.6-57.6170.313.500120.2
2259A25.5Very low24Very low101 Ų101138.6 Ų138.684%0.83571%0.714SS**  -155135.911900000109.6
2260E23.2Very low23.9Very low134 Ų134143.3 Ų143.363%0.62673%0.729SS**  trans-76.3162.8171.1-66.8143.5123.100109.5V1577V1577-E2260 HydrophobicContact CG1-CB 4.45Å; V1577-E2260 WeakPolarHBondContact CG1-OE1 3.4Å; V1577-E2260 WeakPolarHBondContact CG1-OE2 3.43Å; V1577-E2260 HydrophobicContact CG2-CB 4.38Å
2261S24.3Very low23.8Very low57 Ų57143.2 Ų143.240%0.39973%0.729SS.*  164161.371.852.40000114.9S1576S1576-S2261 VanDerWaalsContact C-CB 3.47Å; S1576-S2261 WeakPolarHBondContact CB-OG 3.47Å; S1576-S2261 WeakPolarHBondContact O-CB 3.45Å; S1576-S2261 PolarHBondContact O-OG 2.83Å; S1576-S2261 PolarHBondContact OG-OG 3.36Å
2262R22.5Very low23.7Very low96 Ų96139.3 Ų139.336%0.36272%0.72SS.*  trans42.5146.5149.6-63.4-159.2-173.7159.7-11.6123.1S1576 V1577 D1578S1576-R2262 VanDerWaalsContact CB-CB 3.44Å; S1576-R2262 VanDerWaalsContact CB-CD 3.45Å; S1576-R2262 VanDerWaalsContact CB-CG 3.48Å; V1577-R2262 PolarHBondContact O-NE 3.47Å; V1577-R2262 PolarHBondContact O-NH2 3.14Å; D1578-R2262 WeakPolarHBondContact OD1-CG 3.08Å; D1578-R2262 VanDerWaalsContact OD2-CA 3.3Å; D1578-R2262 WeakPolarHBondContact OD2-CA 3.4Å; D1578-R2262 VanDerWaalsContact OD2-CG 3.22Å; D1578-R2262 WeakPolarHBondContact OD2-CG 3.46Å; D1578-R2262 PolarHBondContact OD2-N 3.49Å
2263K23.2Very low23.6Very low167 Ų167139.5 Ų139.573%0.72672%0.721SS**  trans59.5113.4143-70.1164.3178.4-1740116.5
2264S21.8Very low23.6Very low119 Ų119138.1 Ų138.183%0.83272%0.718SS**  -173.4158.960.243.40000112.1
2265C20.3Very low23.5Very low115 Ų115136.8 Ų136.878%0.77771%0.71SS**  trans-84.2138.7173.6-52.40000110.2
2266H22.9Very low23.2Very low181 Ų181140.3 Ų140.384%0.83871%0.71SS**  -165.7144.7124.1-104.3-70000112.5
2267S22.4Very low23.1Very low100 Ų100137.7 Ų137.770%0.69970%0.699SS**  trans-33130.6174.648.20000117.2
2268N22.7Very low23.1Very low160 Ų160139.1 Ų139.186%0.85670%0.702SS**  trans-140137.4145.7-105.5-48.4000112.8
2269I21.3Very low23.1Very low136 Ų136137.4 Ų137.470%0.69769%0.694SS**  trans-60.5147-169.2-67.2154000112.6
2270K25.8Very low23.3Very low206 Ų206138.5 Ų138.590%0.89669%0.686SS**  trans-82.2139.6178.8-74.8-179.7173.4179.10112.9
2271W21.2Very low23.4Very low202 Ų202137 Ų13777%0.76569%0.69SS**  trans-145.1151.6177.4-64.187.1000107.5
2272E22.8Very low23.7Very low143 Ų143142.7 Ų142.767%0.66871%0.707SS**  cis-153.2150.4-4.3-145.7173.1167.800112.6
2273I22.5Very low23.9Very low133 Ų133143.9 Ų143.968%0.68272%0.721SS**  trans7.5130.6149.4-60.4165.9000119.2
2274D24Very low24.1Very low115 Ų115145.4 Ų145.462%0.61573%0.728SS**  -159132.6112.9-125.7-0.4000118.4
2275K23.7Very low24.3Very low144 Ų144147 Ų14763%0.62672%0.723SS**  trans28.1140155.9-60.9157.6-172.490.70119.6
2276Y22.8Very low24.6Very low205 Ų205147.5 Ų147.580%0.80472%0.717SS**  cis-135.114145.3-97.7-113.1000110.6
2277T23.4Very low24.7Very low89 Ų89145.1 Ų145.155%0.54671%0.711SS.*  73.8120.265.4-59.50000110.4
2278E23.8Very low24.7Very low148 Ų148146.5 Ų146.569%0.69271%0.711SS**  cis-166170.49.7-126.2-178133.800114.7
2279Q25.9Very low24.7Very low134 Ų134147.7 Ų147.763%0.62670%0.704SS**  trans73.1109.7142.9-77.8-179.53900123.9
2280N28Very low24.9Very low125 Ų125147.5 Ų147.567%0.66871%0.705SS**  116.580.1115.9-68.8-14.2000122.3
2281S26.8Very low24.8Very low103 Ų103143.2 Ų143.272%0.7270%0.696SS**  93.8140.8106.578.30000122.3
2282K30.2Very low25.2Very low175 Ų175140.4 Ų140.476%0.76170%0.696SS**  trans86.7107.9155.5-65.6-162.1170.5-170.70121.7
2283D26.4Very low25.3Very low122 Ų122139.7 Ų139.765%0.65270%0.697SS**  66.1138.6116.9-44.4-22.4000122
2284F28.1Very low25.7Very low198 Ų198140.9 Ų140.987%0.86871%0.705SS**  trans89.5149.7165.2-75.6-75.9000121.1
2285E24.8Very low25.8Very low154 Ų154143.4 Ų143.472%0.7271%0.712SS**  trans-104.4177.1-158.8-51.6167.1119.700112.5
2286N26.4Very low25.8Very low124 Ų124142.7 Ų142.766%0.66372%0.715SS**  trans77.3119.5152.8-59.4-21.4000119.5
2287D25.7Very low25.9Very low132 Ų132140.9 Ų140.971%0.70671%0.711SS**  67.2109.9124.2-58.6-11.9000121.2
2288N23.2Very low26.1Very low129 Ų129143.8 Ų143.869%0.6972%0.723SS**  88145.3123.7-91.2-41.2000121.4
2289Y22Very low26.2Very low185 Ų185142.7 Ų142.773%0.72572%0.722SS**  trans64.2119161-66.9-61.6000120.8
2290N25.5Very low26.1Very low132 Ų132143.3 Ų143.371%0.70673%0.729SS**  trans76.4113.5135.9-65.3-4.4000119.8
2291T24.3Very low26Very low116 Ų116142.6 Ų142.671%0.71273%0.734SS**  61.4104.7118.4-45.20000117.8
2292D29.4Very low25.9Very low143 Ų143145.1 Ų145.177%0.76574%0.738SS**  -157.6173.9110.6-111.8-33.4000112.8
2293N25.2Very low25.8Very low127 Ų127143.7 Ų143.768%0.67974%0.738SS**  trans-65.3150.2-165.6-39.9-83.9000115.3
2294D30.4Very low25.9Very low159 Ų159142.9 Ų142.985%0.8573%0.734SS**  -177.9169.7104.8-94.2-21000115.3
2295E26Very low25.7Very low167 Ų167141.3 Ų141.378%0.7873%0.727SS**  trans-21.8118.8177.5-59.3-164129.700118.3
2296L24.5Very low25.9Very low130 Ų130138.9 Ų138.968%0.68172%0.719SS**  90.3118.575-79.1169.2000116.5
2297K23.8Very low25.8Very low166 Ų166139.7 Ų139.772%0.72272%0.722SS**  trans51.1104.1143.6-63.3175.3-179.81750120.5
2298D27.6Very low25.8Very low150 Ų150137.9 Ų137.980%0.80272%0.715SS**  -141.7107.2111.2-101.4-35.5000107.6
2299N25.7Very low25.8Very low126 Ų126139.4 Ų139.467%0.67472%0.716SS**  75106.781.5-71.3-39.4000113
2300L23.9Very low26.1Very low147 Ų147134.7 Ų134.777%0.7771%0.71SS**  trans-73.2129.9179.3-69.496.1000111.1
2301S26.3Very low26.2Very low109 Ų109136 Ų13676%0.76271%0.712SS**  trans-62.6134.8157.4-170.50000109.4
2302I24.1Very low26.4Very low156 Ų156138.5 Ų138.580%0.872%0.716SS**  trans-99.9112176.2-65.9174.1000107.4
2303D29.2Very low26.4Very low145 Ų145136.4 Ų136.478%0.77570%0.704SS**  trans-63.5150.2176.3-75.8-42.4000112.6K2305D2303-K2305 PolarHBondContact O-N 2.85Å; D2303-K2305 VanDerWaalsContact O-N 3.13Å
2304D27.3Very low26.6Very low106 Ų106136.9 Ų136.957%0.56770%0.702SS**  trans-52.1113.2-173.8-96.5-93.5000113.7R2234 N2306R2234-D2304 IonicContact CZ-OD1 3.95Å; R2234-D2304 IonicContact NH1-OD1 3.53Å; R2234-D2304 PolarHBondContact NH1-OD1 3.44Å; R2234-D2304 IonicContact NH2-OD1 3.25Å; R2234-D2304 PolarHBondContact NH2-OD1 3.27Å; D2304-N2306 VanDerWaalsContact C-N 3.26Å; D2304-N2306 PolarHBondContact O-N 3.06Å
2305K25.4Very low26.5Very low164 Ų164131.2 Ų131.271%0.71367%0.671SS**  trans-67.494.4145.3-83.7-173.5175178.30108.4D2303 I2307D2303-K2305 PolarHBondContact O-N 2.85Å; D2303-K2305 VanDerWaalsContact O-N 3.13Å; K2305-I2307 PolarHBondContact O-N 3.24Å
2306N28.3Very low26.7Very low103 Ų103126 Ų12655%0.55165%0.651SS**  trans-50.2107.9169.6-83.5-65.1000110.4D2304 T2308D2304-N2306 VanDerWaalsContact C-N 3.26Å; D2304-N2306 PolarHBondContact O-N 3.06Å; N2306-T2308 PolarHBondContact O-N 3.46Å
2307I23.6Very low27Very low141 Ų141121.3 Ų121.372%0.72363%0.628SS**  trans-74.683.1168.4-56.1176.1000106.8K2305K2305-I2307 PolarHBondContact O-N 3.24Å
2308T25.7Very low27.4Very low94 Ų94118.3 Ų118.358%0.57762%0.62SS**  trans-59133158.845.90000108.2N2306 S2310N2306-T2308 PolarHBondContact O-N 3.46Å; T2308-S2310 PolarHBondContact O-N 2.95Å
2309F24.2Very low27.6Very low161 Ų161115.3 Ų115.371%0.70661%0.607SS**  trans-53.4107.2170.6-94-92.4000109.9
2310S27.3Very low27.8Very low86 Ų86112.8 Ų112.860%0.60159%0.591SS**  trans-75142.3168.852.10000109.6T2308T2308-S2310 PolarHBondContact O-N 2.95Å
2311E29.1Very low28.4Very low160 Ų160107.9 Ų107.975%0.74857%0.565SS**SBendtrans54.8106.9158.1-70.4146.6-123.300118.3
2312H27.7Very low28.9Very low169 Ų169104.2 Ų104.278%0.78254%0.536SS*.  trans59.678144.7-54.5101.5000117.7Q2314H2312-Q2314 PolarHBondContact O-N 3.43Å
2313L29.9Very low29.4Very low99 Ų99103.9 Ų103.952%0.51853%0.526SS..  trans-70.970.9159.1-165115.2000110.8I2209 I2315I2209-L2313 HydrophobicContact CD1-CD2 4.12Å; L2313-I2315 HydrophobicContact CD2-CD1 3.96Å; L2313-I2315 HydrophobicContact CD2-CG1 3.94Å; L2313-I2315 PolarHBondContact O-N 3.2Å; L2313-I2315 VanDerWaalsContact O-N 3.1Å
2314Q28.5Very low29.6Very low137 Ų137101 Ų10164%0.6451%0.51SS*.  trans-78.891.1-171-162.1-172.54800111.4H2312 T2316H2312-Q2314 PolarHBondContact O-N 3.43Å; Q2314-T2316 HydrophobicContact CG-CG2 4.19Å; Q2314-T2316 PolarHBondContact O-N 2.8Å
2315I29Very low30.1Very low40 Ų4097 Ų9721%0.20549%0.488CS..  trans-73.388.4178.5-56.2-178.6000110.1L2313 T2317 I2321L2313-I2315 HydrophobicContact CD2-CD1 3.96Å; L2313-I2315 HydrophobicContact CD2-CG1 3.94Å; L2313-I2315 PolarHBondContact O-N 3.2Å; L2313-I2315 VanDerWaalsContact O-N 3.1Å; I2315-T2317 HydrophobicContact CG2-CG2 4.27Å; I2315-I2321 HydrophobicContact CB-CD1 4.35Å; I2315-I2321 HydrophobicContact CG2-CD1 3.74Å; I2315-I2321 HydrophobicContact CG2-CG2 4.27Å
2316T28.7Very low30.7Very low57 Ų5793.6 Ų93.635%0.3548%0.477SS..  trans-80.6112.6176.745.80000112Q2314 D2318 I2321Q2314-T2316 HydrophobicContact CG-CG2 4.19Å; Q2314-T2316 PolarHBondContact O-N 2.8Å; T2316-D2318 PolarHBondContact O-N 2.83Å; T2316-I2321 VanDerWaalsContact O-CD1 3.27Å; T2316-I2321 WeakPolarHBondContact O-CD1 3.44Å; T2316-I2321 WeakPolarHBondContact O-CG1 3.37Å
2317T32.7Very low31.2Very low32 Ų3291.3 Ų91.320%0.19647%0.467CS..THydrogen-bonded Turntrans-95.737.9-173.845.80000115.3S2169 I2315 T2319S2169-T2317 VanDerWaalsContact CB-OG1 3.31Å; S2169-T2317 WeakPolarHBondContact CB-OG1 3.39Å; S2169-T2317 WeakPolarHBondContact O-CG2 3.4Å; S2169-T2317 PolarHBondContact O-OG1 3.18Å; I2315-T2317 HydrophobicContact CG2-CG2 4.27Å; T2317-T2319 PolarHBondContact O-N 3.15Å
2318D31.1Very low31.6Very low103 Ų10385.8 Ų85.855%0.55145%0.445SS*.THydrogen-bonded Turntrans-78.753.5170.9-64.1-27.7000111.3T2316 H2320T2316-D2318 PolarHBondContact O-N 2.83Å; D2318-H2320 PolarHBondContact O-N 3.49Å; D2318-H2320 PolarHBondContact O-ND1 3.21Å
2319T32.5Very low31.5Very low87 Ų8791.4 Ų91.453%0.53446%0.456SS..THydrogen-bonded Turntrans71.7-35.4-179.2-270000115.7T2125 T2317 I2321 M2322 Y2323T2125-T2319 HydrophobicContact CG2-CG2 4.36Å; T2317-T2319 PolarHBondContact O-N 3.15Å; T2319-I2321 PolarHBondContact O-N 2.92Å; T2319-M2322 PolarHBondContact O-N 3.1Å; T2319-Y2323 PolarHBondContact O-N 3.46Å
2320H30.3Very low31.5Very low73 Ų7390 Ų9034%0.33845%0.451SS..Hα-helixtrans-61.6-41.6-170.7-58.992.8000114.7Y2123 T2125 D2318 M2322 Y2323 L2324Y2123-H2320 VanDerWaalsContact CA-NE2 3.33Å; Y2123-H2320 WeakPolarHBondContact CA-NE2 3.46Å; Y2123-H2320 VanDerWaalsContact CB-NE2 3.32Å; Y2123-H2320 WeakPolarHBondContact CB-NE2 3.3Å; Y2123-H2320 PolarHBondContact O-NE2 2.85Å; T2125-H2320 PolarHBondContact N-NE2 2.88Å; T2125-H2320 VanDerWaalsContact N-NE2 3.18Å; D2318-H2320 PolarHBondContact O-N 3.49Å; D2318-H2320 PolarHBondContact O-ND1 3.21Å; H2320-M2322 VanDerWaalsContact C-N 3.33Å; H2320-M2322 PolarHBondContact O-N 3.16Å; H2320-Y2323 VanDerWaalsContact O-CB 3.29Å; H2320-Y2323 WeakPolarHBondContact O-CB 3.23Å; H2320-Y2323 PolarHBondContact O-N 3.46Å; H2320-Y2323 VanDerWaalsContact O-N 3.08Å; H2320-L2324 PolarHBondContact O-N 3.13Å
2321I35Very low31.2Very low44 Ų4494.5 Ų94.523%0.22647%0.465CS..Hα-helixtrans-69.4-29.9-178.8-61.4-178.4000112.2I2315 T2316 T2319 Y2323 L2324 L2325I2315-I2321 HydrophobicContact CB-CD1 4.35Å; I2315-I2321 HydrophobicContact CG2-CD1 3.74Å; I2315-I2321 HydrophobicContact CG2-CG2 4.27Å; T2316-I2321 VanDerWaalsContact O-CD1 3.27Å; T2316-I2321 WeakPolarHBondContact O-CD1 3.44Å; T2316-I2321 WeakPolarHBondContact O-CG1 3.37Å; T2319-I2321 PolarHBondContact O-N 2.92Å; I2321-Y2323 VanDerWaalsContact C-N 3.25Å; I2321-Y2323 PolarHBondContact O-N 2.96Å; I2321-L2324 WeakPolarHBondContact O-CB 3.24Å; I2321-L2324 PolarHBondContact O-N 2.96Å; I2321-L2325 HydrophobicContact CG2-CD1 4.23Å; I2321-L2325 PolarHBondContact O-N 3.04Å
2322M38.1Very low30.9Very low31 Ų3195.1 Ų95.115%0.15347%0.468CS..Hα-helixtrans-65.5-30171.8-78.4-66-69.100112L2166 L2188 T2319 H2320 L2325 I2326L2166-M2322 HydrophobicContact CD1-SD 3.91Å; L2166-M2322 HydrophobicContact CG-SD 4.03Å; L2188-M2322 HydrophobicContact CD1-CE 3.78Å; T2319-M2322 PolarHBondContact O-N 3.1Å; H2320-M2322 VanDerWaalsContact C-N 3.33Å; H2320-M2322 PolarHBondContact O-N 3.16Å; M2322-L2325 HydrophobicContact SD-CD1 4.07Å; M2322-I2326 HydrophobicContact CE-CD1 4.4Å; M2322-I2326 WeakPolarHBondContact O-CB 3.27Å; M2322-I2326 WeakPolarHBondContact O-CD1 3.42Å; M2322-I2326 VanDerWaalsContact O-CG1 3.3Å; M2322-I2326 WeakPolarHBondContact O-CG1 3.43Å; M2322-I2326 PolarHBondContact O-N 3.3Å
2323Y34.5Very low30.7Very low149 Ų14994.5 Ų94.558%0.58447%0.47SS*.Hα-helixtrans-67.9-40.3172.1-167.5-89.9000111.6T2319 H2320 I2321 I2326 T2327T2319-Y2323 PolarHBondContact O-N 3.46Å; H2320-Y2323 VanDerWaalsContact O-CB 3.29Å; H2320-Y2323 WeakPolarHBondContact O-CB 3.23Å; H2320-Y2323 PolarHBondContact O-N 3.46Å; H2320-Y2323 VanDerWaalsContact O-N 3.08Å; I2321-Y2323 VanDerWaalsContact C-N 3.25Å; I2321-Y2323 PolarHBondContact O-N 2.96Å; Y2323-I2326 PolarHBondContact O-N 3.17Å; Y2323-T2327 HydrophobicContact CD1-CG2 4.01Å; Y2323-T2327 HydrophobicContact CD2-CG2 4.43Å; Y2323-T2327 HydrophobicContact CE1-CG2 3.71Å; Y2323-T2327 HydrophobicContact CE2-CG2 4.14Å; Y2323-T2327 HydrophobicContact CG-CG2 4.36Å; Y2323-T2327 WeakPolarHBondContact O-CB 3.28Å; Y2323-T2327 WeakPolarHBondContact O-CG2 3.45Å; Y2323-T2327 PolarHBondContact O-N 3.06Å; Y2323-T2327 PolarHBondContact O-OG1 3.49Å
2324L33.5Very low30.2Very low86 Ų8695.6 Ų95.645%0.4549%0.486SS..Hα-helixtrans-63-46.1173.5-81.7161.4000112.2H2320 I2321 I2326 T2327 G2328H2320-L2324 PolarHBondContact O-N 3.13Å; I2321-L2324 WeakPolarHBondContact O-CB 3.24Å; I2321-L2324 PolarHBondContact O-N 2.96Å; L2324-I2326 PolarHBondContact O-N 2.79Å; L2324-T2327 PolarHBondContact O-N 2.85Å; L2324-G2328 WeakPolarHBondContact O-CA 3.23Å; L2324-G2328 PolarHBondContact O-N 3.41Å
2325L37.7Very low29.9Very low21 Ų2196.3 Ų96.311%0.1149%0.493CS..Hα-helixtrans-62.7-22.7177.1-79.9165.1000114.5I2200 K2201 L2203 V2211 I2321 M2322I2200-L2325 HydrophobicContact CG2-CD2 4.48Å; K2201-L2325 PolarHBondContact N-O 3.29Å; K2201-L2325 VanDerWaalsContact N-O 3.08Å; L2203-L2325 HydrophobicContact CD1-CD2 3.75Å; L2203-L2325 HydrophobicContact CD2-CD2 4.29Å; L2203-L2325 HydrophobicContact CG-CD2 3.88Å; V2211-L2325 HydrophobicContact CG2-CD2 4.11Å; I2321-L2325 HydrophobicContact CG2-CD1 4.23Å; I2321-L2325 PolarHBondContact O-N 3.04Å; M2322-L2325 HydrophobicContact SD-CD1 4.07Å
2326I37.3Very low29.7Very low93 Ų93100.3 Ų100.348%0.47752%0.521SS..Hα-helixtrans-97.2-37.7179.1-67.5170.6000111.5M2322 Y2323 L2324M2322-I2326 HydrophobicContact CE-CD1 4.4Å; M2322-I2326 WeakPolarHBondContact O-CB 3.27Å; M2322-I2326 WeakPolarHBondContact O-CD1 3.42Å; M2322-I2326 VanDerWaalsContact O-CG1 3.3Å; M2322-I2326 WeakPolarHBondContact O-CG1 3.43Å; M2322-I2326 PolarHBondContact O-N 3.3Å; Y2323-I2326 PolarHBondContact O-N 3.17Å; L2324-I2326 PolarHBondContact O-N 2.79Å
2327T38.5Very low29.4Very low54 Ų54104.4 Ų104.433%0.33155%0.546SS..Hα-helixtrans-95-36.2-174.563.30000113.9K2201 Y2323 L2324K2201-T2327 WeakPolarHBondContact CD-O 3.46Å; K2201-T2327 PolarHBondContact NZ-O 2.89Å; Y2323-T2327 HydrophobicContact CD1-CG2 4.01Å; Y2323-T2327 HydrophobicContact CD2-CG2 4.43Å; Y2323-T2327 HydrophobicContact CE1-CG2 3.71Å; Y2323-T2327 HydrophobicContact CE2-CG2 4.14Å; Y2323-T2327 HydrophobicContact CG-CG2 4.36Å; Y2323-T2327 WeakPolarHBondContact O-CB 3.28Å; Y2323-T2327 WeakPolarHBondContact O-CG2 3.45Å; Y2323-T2327 PolarHBondContact O-N 3.06Å; Y2323-T2327 PolarHBondContact O-OG1 3.49Å; L2324-T2327 PolarHBondContact O-N 2.85Å
2328G31.4Very low28.7Very low26 Ų26111.2 Ų111.227%0.26858%0.575SS.*  trans53.374.9176.800000114.3K2201 L2324K2201-G2328 PolarHBondContact NZ-O 2.8Å; L2324-G2328 WeakPolarHBondContact O-CA 3.23Å; L2324-G2328 PolarHBondContact O-N 3.41Å
2329R24.4Very low28.2Very low212 Ų212111.1 Ų111.180%0.858%0.583SS**  trans-107.1150.8161.8-73.6-169.5174.4-1550.4109.7
2330Q24.6Very low27.7Very low132 Ų132112.2 Ų112.262%0.61759%0.594SS**  trans-84.8159.9-175.9-71.6171.8-100.300113.2
2331M21.6Very low27.2Very low179 Ų179116.7 Ų116.788%0.88262%0.617SS**  trans-84.9140.3142.1-64-177.7-177.100108.2
2332E21.9Very low26.5Very low173 Ų173120.5 Ų120.581%0.80864%0.637SS**  trans-107.2134.3167.3-70.8-176.3133.400109.2
2333N22.8Very low25.8Very low157 Ų157125.8 Ų125.884%0.8467%0.666SS**  trans-83.5142.2177.3-65.4-17.7000110.2
2334S20.8Very low25.2Very low121 Ų121121.9 Ų121.985%0.84667%0.665SS**  trans-139.9133.3163.663.60000111
2335I21.3Very low24.8Very low153 Ų153123.9 Ų123.979%0.78568%0.676SS**  trans-95.6147.2-169.3-71.9169.8000109.2
2336P24.7Very low24Very low123 Ų123130.2 Ų130.280%0.79971%0.705SS**  trans-70.8157.5-173.929-37.8000113.8
2337V22Very low23.4Very low143 Ų143132.8 Ų132.887%0.86772%0.72SS**  trans-126.4131.6174.3179.50000111.4
2338Q19Very low22.8Very low175 Ų175137.1 Ų137.182%0.81874%0.74SS**  trans-56.3149.7-175.4-93.7164.5-58.500118.6
2339S20.9Very low22.5Very low101 Ų101143.4 Ų143.471%0.70677%0.765SS**  trans53.2124.7134.571.60000122.9
2340S21.4Very low22.6Very low111 Ų111142.4 Ų142.478%0.77677%0.767SS**  177.6123.3109.328.60000109.5
2341M19.6Very low22.7Very low167 Ų167140.9 Ų140.982%0.82377%0.768SS**  67.5134.486-61.2-95.5133.300114.2
2342L20.8Very low22.8Very low123 Ų123142.7 Ų142.764%0.64477%0.765SS**  cis-170.5161.8-19-121.6-169.8000108.8
2343N22.7Very low22.9Very low142 Ų142141.8 Ų141.876%0.75976%0.759SS**  trans60.6155.7158.9-75.2-0.3000120.3
2344A23.1Very low22.9Very low67 Ų67141.2 Ų141.255%0.55475%0.754SS**  cis-175.8-173-20.900000109
2345N23.5Very low23.5Very low129 Ų129143.5 Ų143.569%0.6975%0.752SS**  trans72.1142.6163.9-6362.8000118
2346E22.4Very low24.1Very low153 Ų153141.5 Ų141.572%0.71575%0.749SS**  cis-167136.2-26-127.4161.5-167.200110.3
2347D24.9Very low24.2Very low147 Ų147143.1 Ų143.179%0.78675%0.75SS**  trans51.5171.3148.5-73.71.8000124.8
2348I25.7Very low24.2Very low146 Ų146144.5 Ų144.575%0.74975%0.749SS**  trans105.8106.8151.1-54.7-166.6000118.7
2349I24.4Very low24.7Very low158 Ų158145.2 Ų145.281%0.8177%0.773SS**  trans88.3132.4147.8-76.2169.9000121.4
2350K27.1Very low24.9Very low190 Ų190147.5 Ų147.583%0.82678%0.777SS**  trans-96.7-161.1171.3-40.6173.8178.51780109
2351P27.2Very low25.1Very low101 Ų101149.4 Ų149.466%0.65678%0.777SS**  cis-129.8-170.4-31.430.8-9.2000112.6
2352R23.1Very low25.4Very low217 Ų217148.4 Ų148.482%0.81977%0.774SS**  trans76134.1163.4-51.9168.1178.1171.1-1.7117.4
2353F23.2Very low25.7Very low154 Ų154149.9 Ų149.968%0.67578%0.782SS**  177.1125100.6-103.6-99.6000108.6
2354I24Very low25.9Very low144 Ų144150.4 Ų150.474%0.73878%0.783SS**  65.3110.2110-62.1-161.6000116.8
2355Q32.9Very low26.1Very low169 Ų169155.9 Ų155.979%0.7980%0.799SS**  trans-75.4163.2150-66.9179-47.300110
2356P33.6Very low26.2Very low112 Ų112157.9 Ų157.973%0.72781%0.806SS**  cis-135.1-177.29.942.7-27000114.6
2357L26Very low26.5Very low156 Ų156158.2 Ų158.282%0.81781%0.813SS**  -160.1159.8123.8-135.471.1000111.7
2358M22.8Very low26.7Very low173 Ų173159.2 Ų159.285%0.85282%0.816SS**  trans-100.6129.5174.5-87-74.9-179.600111.1
2359S30Very low26.8Very low190 Ų190160.4 Ų160.4100%1.32982%0.822SS**  trans-1650157.465.10000109.7

Retrieved 2,359 of 2,359 residues in 3198.3 ms (Link to these results)

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