A0A3Q0KML6_SCHMA Loading...

Dynamin-associated protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KML6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,697 aa.

>A0A3Q0KML6_SCHMA|A0A3Q0KML6
MSEWDRWVITTDDRVKHDAQFQFLKPVGGYITGDQARVFFMKSGLSVMVLGQIWALADMDMDGKMDKKEFSIAMFLIKKTLEGLPLPSTLPPGLKNDPQPAFITSGVTLSLSLVSDSGNNGLSSVSSIGQDSNSASTAYQDWIITSTNRPRYRLLFNQHDRNKRGFLTGVEARSILSQYGLPNPILAHIWNLADLNKNGNLNCDEFCIAIFLIEKAISGSQLPNTLPSGLLPSNQPRTFGHTSPSVTAKEDNESKENKSSLSFEDKRRENFRQGQAELDRRKQELAEKMRLDEEIRLENERLEREKQQKLRMEKERQQAAEAEKQAELSRQLEAQREQRRRQAVEQRMKAARDLEKQRQIESERIRTDALLKERNHMQTLLEQAVAHRASLLESASSQQQRLLELDSRLNVAQTEVDSHKTSINEMRSKRDAYERDIRDMTEQVEAAKAELTHWQREKEQLSLRMAAGVDMNPVMEQYKTLQSMREARIKTIEQLRNKLNELDQNMTQQGHELATRRNKIDDSQDRVTRTMLDLVDLRHSVEQKMQAYKLKRKSTDLSTSTSTTIESTQKELYEAMFDFTARHPDELSFTTGTLIDVFVNAPINVGPGWLYGQINDKVGLFPETYVRKKVDGKIDPFDPFGVHKITNTCVSSIMMTTTTIPTTINTPNTFSAINTNNSLTEPANDNLVASETTPTTKLNDITFPNNDFYGEVQQNWNVSMSTITLPENILTDQFLTLTVDDHVKITKENDNNKEWYFGEITDKSGIVNKGWFPACCLKPSTKSNTSNINQNGLNISSSSNSSSKQPDILFSCIALYPYESNVPGDLNLSVGDLIRVCVIKDDWWEGICERTKLKGLFPANYVRKLSSEETRSMEEKLDISGSTNNQMDHNDTINPPSLSKITPISSPKLMEANLNNCMASLLSSSNTSSTSSSGVIVCTQPEFARVIAPYKATSAGQLTLQPGQVVQLRKRSPKGWWEGELQQRGHIRQIGWFPADFVRLITPLTVNGSSNSSDQKLLSKLISPTNNQIENTPTSLKALASKAITTSNSFNDNSVQSQQTQSNRVEMMQTIFSYKAVHADELTFEEGAIITVLGRDEPEWWRGRLQNSGAEGLFPVNYVRPYNPPSQTEKSSNSVNQHPIVSAQMDTDISRKLRERDFAIKELIKTELAYNNSLIEVRDVFYKPMKASKMLTLQQLNDIFPHWNELIDTSTEFCRDLNDYVKDDSSPQLISRILLKHILKFKVYRLYCIQQRVACETLQHCLSSNYRLNQLVKIFEKNTKIKGLPLSSYLLKPMQRITKYKLIVEKIATNTHISCPDYDEVVKVNNLMSVLLKSIDDAIGSKDNPNRIDWFRSRLIGADKWLLDWLSDNTAQNPHERPCLVHCGTLYKAKNNREFICFLFNKYLILTTPNYNTNGRLFQFPSTNQLNEIKWSFILYKEPLALNQIYVFKGAVRQNSESTSSVFSSYSITPQSAPYNKPTNDELVRSVSTSTLTESTENSNMNIRCQSEIVKYSTTNVFSLFKRRNSWQPIVTLKAPSNELCDLWVLILRDQIKAGSNLSNSRSSYSPSLKNEYPQHLLFTVSKVCTNSQDQFEVHFKISITDQMWKFCQIFANQSLIEFKTSETLNFLIPESLEKCLHITAFKSLPFTNSNIIGSCIVPFSNIFINFPPTSFESFTKQIELNQSTGMKMEFTIELTV
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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
1M33.9Very low63.6Low210 Ų21085.3 Ų85.3100%1.03442%0.419SS*.  0124.90-64.5-175.58000106.6
2S41.4Very low64.6Low36 Ų3685.3 Ų85.325%0.25242%0.423SS..  trans-73.9159.9-169.872.80000111.2W4 D5S2-W4 PolarHBondContact O-N 2.85Å; S2-W4 VanDerWaalsContact O-N 3.16Å; S2-W4 PolarHBondContact OG-N 2.82Å; S2-D5 WeakPolarHBondContact CB-OD2 3.43Å; S2-D5 PolarHBondContact N-OD2 2.78Å; S2-D5 PolarHBondContact O-N 3.45Å; S2-D5 PolarHBondContact OG-N 2.72Å; S2-D5 VanDerWaalsContact OG-N 3.13Å; S2-D5 PolarHBondContact OG-OD1 2.61Å; S2-D5 PolarHBondContact OG-OD2 3.46Å
3E49.6Very low66.1Low136 Ų13680 Ų8064%0.63640%0.397SS*.SBendtrans-64.4-14.9171.8-155.7162.6-143.200112.6
4W50.3Low67.6Low116 Ų11676.6 Ų76.644%0.43938%0.377SS..SBendtrans-88.6-31.9-175.3-6656.8000112.2S2 R6 W7 P92 M531S2-W4 PolarHBondContact O-N 2.85Å; S2-W4 VanDerWaalsContact O-N 3.16Å; S2-W4 PolarHBondContact OG-N 2.82Å; W4-R6 PolarHBondContact O-N 3.35Å; W4-R6 VanDerWaalsContact O-N 3.1Å; W4-W7 PolarHBondContact O-N 3Å; W4-P92 HydrophobicContact CH2-CG 4.01Å; W4-P92 HydrophobicContact CZ3-CB 4.05Å; W4-P92 HydrophobicContact CZ3-CG 3.64Å; W4-M531 HydrophobicContact CD2-CE 3.87Å; W4-M531 HydrophobicContact CE3-CE 4.33Å; W4-M531 HydrophobicContact CG-CE 4.44Å; W4-M531 HydrophobicContact CH2-CE 4.02Å; W4-M531 HydrophobicContact CH2-CG 3.99Å; W4-M531 HydrophobicContact CH2-SD 3.75Å; W4-M531 HydrophobicContact CZ2-CE 3.52Å; W4-M531 HydrophobicContact CZ2-CG 4.12Å; W4-M531 HydrophobicContact CZ2-SD 3.25Å; W4-M531 WeakPolarHBondContact CZ2-SD 3.11Å; W4-M531 HydrophobicContact CZ3-CE 4.37Å
5D54.8Low68.6Low101 Ų10174.8 Ų74.854%0.5437%0.372SS..THydrogen-bonded Turntrans-60.8-19.6174.8-60.2-48.3000112.7S2 W7S2-D5 WeakPolarHBondContact CB-OD2 3.43Å; S2-D5 PolarHBondContact N-OD2 2.78Å; S2-D5 PolarHBondContact O-N 3.45Å; S2-D5 PolarHBondContact OG-N 2.72Å; S2-D5 VanDerWaalsContact OG-N 3.13Å; S2-D5 PolarHBondContact OG-OD1 2.61Å; S2-D5 PolarHBondContact OG-OD2 3.46Å; D5-W7 VanDerWaalsContact C-N 3.32Å
6R69Low69.8Low116 Ų11676.9 Ų76.944%0.43838%0.378SS..THydrogen-bonded Turntrans-74.9-16.1174.8-96.3-179.3-74.6-171.3-0114.3W4 F75 K79W4-R6 PolarHBondContact O-N 3.35Å; W4-R6 VanDerWaalsContact O-N 3.1Å; R6-F75 WeakPolarHBondContact O-CZ 3.36Å; R6-K79 WeakPolarHBondContact O-CE 3.49Å
7W79.7Confident71.1Confident34 Ų3472.9 Ų72.913%0.12936%0.358CS..SBendtrans-117.246.3-170.5-63.9112000113.2W4 D5 F75 L76 K79 P87 P91 G93 L94W4-W7 PolarHBondContact O-N 3Å; D5-W7 VanDerWaalsContact C-N 3.32Å; W7-F75 HydrophobicContact CE3-CD1 4.35Å; W7-F75 AromaticContact CE3-CE1 3.95Å; W7-F75 HydrophobicContact CE3-CE1 3.95Å; W7-F75 HydrophobicContact CZ3-CE1 4.5Å; W7-L76 HydrophobicContact CZ3-CD2 3.92Å; W7-K79 HydrophobicContact CE3-CG 4.39Å; W7-K79 HydrophobicContact CH2-CB 4.1Å; W7-K79 HydrophobicContact CZ3-CB 3.87Å; W7-K79 HydrophobicContact CZ3-CG 3.92Å; W7-P87 HydrophobicContact CH2-CG 4.02Å; W7-P87 HydrophobicContact CZ2-CB 4.38Å; W7-P87 HydrophobicContact CZ2-CG 4.2Å; W7-P87 HydrophobicContact CZ3-CG 4.28Å; W7-P91 HydrophobicContact CB-CB 3.75Å; W7-P91 HydrophobicContact CB-CG 4.08Å; W7-P91 HydrophobicContact CD2-CG 3.85Å; W7-P91 HydrophobicContact CE3-CG 4.26Å; W7-P91 HydrophobicContact CG-CB 3.94Å; W7-P91 HydrophobicContact CG-CG 3.78Å; W7-G93 CarbonylContact O-C 3.35Å; W7-G93 VanDerWaalsContact O-CA 3.31Å; W7-G93 WeakPolarHBondContact O-CA 3.25Å; W7-L94 HydrophobicContact CB-CD1 4.45Å; W7-L94 HydrophobicContact CE3-CD1 3.79Å; W7-L94 PolarHBondContact O-N 2.95Å
8V77.3Confident72.2Confident53 Ų5370.5 Ų70.532%0.32135%0.347SS..  trans-125.9128.7177.3-179.20000109.9T10 F75V8-T10 PolarHBondContact O-N 2.9Å; V8-F75 WeakPolarHBondContact O-CE2 3.35Å; V8-F75 VanDerWaalsContact O-CZ 3.24Å; V8-F75 WeakPolarHBondContact O-CZ 3.2Å
9I83.4Confident73Confident10 Ų1067.8 Ų67.85%0.05134%0.338CS..  trans-78.7117.5171.9-46.7-173.7000108.1D13 R14 S71 I72 F75 L94 P98I9-D13 HydrophobicContact CG2-CB 3.94Å; I9-R14 HydrophobicContact CG2-CB 4.1Å; I9-S71 WeakPolarHBondContact CD1-O 3.35Å; I9-S71 WeakPolarHBondContact CD1-OG 3.48Å; I9-I72 HydrophobicContact CD1-CG1 4.35Å; I9-F75 HydrophobicContact CB-CD2 4.32Å; I9-F75 HydrophobicContact CD1-CB 4.15Å; I9-F75 HydrophobicContact CG1-CB 4.05Å; I9-F75 HydrophobicContact CG1-CD2 3.91Å; I9-F75 HydrophobicContact CG1-CG 3.97Å; I9-F75 HydrophobicContact CG2-CD2 4.41Å; I9-L94 HydrophobicContact CD1-CD2 3.69Å; I9-L94 HydrophobicContact CG1-CD2 3.49Å; I9-L94 VanDerWaalsContact CG1-CD2 3.49Å; I9-P98 WeakPolarHBondContact O-CB 3.37Å
10T83Confident73.9Confident66 Ų6667.9 Ų67.941%0.40534%0.337SS..  trans-67.3155.517361.60000110.5V8 D12 D13 R14V8-T10 PolarHBondContact O-N 2.9Å; T10-D12 PolarHBondContact O-N 2.87Å; T10-D13 PolarHBondContact O-N 3.19Å; T10-D13 WeakPolarHBondContact OG1-CB 3.5Å; T10-D13 PolarHBondContact OG1-N 3.38Å; T10-D13 PolarHBondContact OG1-OD2 3.14Å; T10-R14 WeakPolarHBondContact O-CB 3.3Å; T10-R14 PolarHBondContact O-N 3.28Å
11T76.7Confident74.8Confident60 Ų6065 Ų6537%0.36832%0.322SS..Hα-helixtrans-52.1-39.2170.133.70000111.7R14 V15 P98T11-R14 PolarHBondContact O-N 3.42Å; T11-V15 WeakPolarHBondContact O-CG2 3.4Å; T11-V15 PolarHBondContact O-N 3.07Å; T11-P98 HydrophobicContact CG2-CB 4.02Å; T11-P98 HydrophobicContact CG2-CG 4.19Å
12D75.7Confident77.5Confident86 Ų8660.1 Ų60.146%0.4630%0.297SS..Hα-helixtrans-65.8-45.6178.8-100.1-0.5000114.4T10 R14 K16 R408T10-D12 PolarHBondContact O-N 2.87Å; D12-R14 VanDerWaalsContact C-N 3.31Å; D12-K16 WeakPolarHBondContact O-CG 3.44Å; D12-K16 PolarHBondContact O-N 3.42Å; D12-R408 PolarHBondContact O-NH2 3.03Å; D12-R408 IonicContact OD1-CZ 3.95Å; D12-R408 IonicContact OD1-NE 2.7Å; D12-R408 IonicContact OD1-NH2 2.72Å; D12-R408 PolarHBondContact OD1-NH2 3.43Å
13D83.9Confident79.7Confident16 Ų1664.8 Ų64.89%0.08631%0.313CS..Hα-helixtrans-64-39.5173.1-78.2-29.2000110I9 T10 V15 K16 H17 K78I9-D13 HydrophobicContact CG2-CB 3.94Å; T10-D13 PolarHBondContact O-N 3.19Å; T10-D13 WeakPolarHBondContact OG1-CB 3.5Å; T10-D13 PolarHBondContact OG1-N 3.38Å; T10-D13 PolarHBondContact OG1-OD2 3.14Å; D13-V15 PolarHBondContact O-N 3.07Å; D13-K16 WeakPolarHBondContact O-CB 3.42Å; D13-K16 PolarHBondContact O-N 2.98Å; D13-K16 VanDerWaalsContact O-N 3.12Å; D13-H17 PolarHBondContact O-CD2 2.82Å; D13-H17 VanDerWaalsContact O-CD2 3.29Å; D13-H17 PolarHBondContact O-N 3.04Å; D13-K78 IonicContact OD1-NZ 2.65Å; D13-K78 PolarHBondContact OD1-NZ 3.38Å; D13-K78 IonicContact OD2-NZ 2.91Å; D13-K78 PolarHBondContact OD2-NZ 3.5Å
14R87.4Confident81.5Confident33 Ų3359.7 Ų59.713%0.12529%0.29CS..Hα-helixtrans-59.8-47.2178.6-175.257.7177.9-111.7-4.2112.1I9 T10 T11 D12 K16 H17 D18 K68 S71 P98I9-R14 HydrophobicContact CG2-CB 4.1Å; T10-R14 WeakPolarHBondContact O-CB 3.3Å; T10-R14 PolarHBondContact O-N 3.28Å; T11-R14 PolarHBondContact O-N 3.42Å; D12-R14 VanDerWaalsContact C-N 3.31Å; R14-K16 VanDerWaalsContact C-N 3.26Å; R14-K16 PolarHBondContact O-N 3.01Å; R14-H17 PolarHBondContact O-N 2.89Å; R14-D18 WeakPolarHBondContact CD-OD1 3.27Å; R14-D18 IonicContact CZ-OD1 3.67Å; R14-D18 IonicContact NE-OD1 2.78Å; R14-D18 PolarHBondContact NE-OD1 3.46Å; R14-D18 WeakPolarHBondContact O-CB 3.43Å; R14-D18 PolarHBondContact O-N 3.07Å; R14-K68 VanDerWaalsContact NH2-CA 3.33Å; R14-S71 WeakPolarHBondContact CD-OG 3.49Å; R14-P98 HydrophobicContact CB-CB 4.45Å; R14-P98 HydrophobicContact CB-CG 4.18Å; R14-P98 HydrophobicContact CG-CG 4.16Å
15V83.3Confident83.2Confident49 Ų4961.6 Ų61.630%0.29730%0.301SS..Hα-helixtrans-64-33177.8-177.80000111.4T11 D13 A19T11-V15 WeakPolarHBondContact O-CG2 3.4Å; T11-V15 PolarHBondContact O-N 3.07Å; D13-V15 PolarHBondContact O-N 3.07Å; V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 2.76Å
16K87.1Confident84.8Confident108 Ų10858.4 Ų58.447%0.4729%0.286SS..Hα-helixtrans-67.7-39.8174.1-68.1167.2-172.5167.50112.2D12 D13 R14 A19 Q20D12-K16 WeakPolarHBondContact O-CG 3.44Å; D12-K16 PolarHBondContact O-N 3.42Å; D13-K16 WeakPolarHBondContact O-CB 3.42Å; D13-K16 PolarHBondContact O-N 2.98Å; D13-K16 VanDerWaalsContact O-N 3.12Å; R14-K16 VanDerWaalsContact C-N 3.26Å; R14-K16 PolarHBondContact O-N 3.01Å; K16-A19 WeakPolarHBondContact O-CB 3.34Å; K16-A19 PolarHBondContact O-N 3.13Å; K16-Q20 WeakPolarHBondContact O-CG 3.29Å; K16-Q20 PolarHBondContact O-N 3.11Å; K16-Q20 VanDerWaalsContact O-N 3.17Å
17H92.9Very high85.4Confident9 Ų958 Ų584%0.04230%0.297CS..Hα-helixtrans-70.5-46.6176.9-56.7165.3000111.4D13 R14 A19 Q20 F21 F70 S71 M74D13-H17 PolarHBondContact O-CD2 2.82Å; D13-H17 VanDerWaalsContact O-CD2 3.29Å; D13-H17 PolarHBondContact O-N 3.04Å; R14-H17 PolarHBondContact O-N 2.89Å; H17-A19 PolarHBondContact O-N 3.14Å; H17-Q20 PolarHBondContact O-N 3.26Å; H17-F21 PolarHBondContact O-N 2.73Å; H17-F70 VanDerWaalsContact O-CE1 3.29Å; H17-F70 WeakPolarHBondContact O-CE1 3.48Å; H17-S71 PolarHBondContact ND1-O 3.27Å; H17-S71 VanDerWaalsContact ND1-O 3.12Å; H17-S71 PolarHBondContact ND1-OG 2.95Å; H17-M74 HydrophobicContact CB-CB 4.34Å; H17-M74 VanDerWaalsContact CD2-CB 3.49Å; H17-M74 WeakPolarHBondContact CD2-CB 3.48Å
18D89.8Confident85.5Confident30 Ų3060 Ų6016%0.1633%0.327CS..Hα-helixtrans-52.9-40.4171.9-724.3000111.1R14 F21 Q22 K67R14-D18 WeakPolarHBondContact CD-OD1 3.27Å; R14-D18 IonicContact CZ-OD1 3.67Å; R14-D18 IonicContact NE-OD1 2.78Å; R14-D18 PolarHBondContact NE-OD1 3.46Å; R14-D18 WeakPolarHBondContact O-CB 3.43Å; R14-D18 PolarHBondContact O-N 3.07Å; D18-F21 PolarHBondContact O-N 3.02Å; D18-Q22 PolarHBondContact O-N 2.84Å; D18-K67 WeakPolarHBondContact OD1-CE 3.45Å; D18-K67 IonicContact OD1-NZ 2.59Å; D18-K67 WeakPolarHBondContact OD2-CE 3.45Å; D18-K67 IonicContact OD2-NZ 3.06Å; D18-K67 PolarHBondContact OD2-NZ 3.41Å
19A87.2Confident86Confident20 Ų2059.4 Ų59.417%0.16533%0.332CS..Hα-helixtrans-63.6-41.8177.400000112.9V15 K16 H17 F23 R401V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 2.76Å; K16-A19 WeakPolarHBondContact O-CB 3.34Å; K16-A19 PolarHBondContact O-N 3.13Å; H17-A19 PolarHBondContact O-N 3.14Å; A19-F23 PolarHBondContact O-N 3.02Å; A19-R401 VanDerWaalsContact CA-NH1 3.31Å; A19-R401 VanDerWaalsContact O-CZ 3.3Å; A19-R401 PolarHBondContact O-NH1 2.88Å; A19-R401 PolarHBondContact O-NH2 2.81Å
20Q91.7Very high86.4Confident68 Ų6863.5 Ų63.532%0.31835%0.348SS..Hα-helixtrans-72-37.4176.9-71.4170.5-1500112.4K16 H17 Q22 F23 L24 F39 F70K16-Q20 WeakPolarHBondContact O-CG 3.29Å; K16-Q20 PolarHBondContact O-N 3.11Å; K16-Q20 VanDerWaalsContact O-N 3.17Å; H17-Q20 PolarHBondContact O-N 3.26Å; Q20-Q22 PolarHBondContact O-N 3.43Å; Q20-F23 WeakPolarHBondContact O-CB 3.49Å; Q20-F23 PolarHBondContact O-N 3.36Å; Q20-F23 VanDerWaalsContact O-N 3.09Å; Q20-L24 PolarHBondContact O-N 3.46Å; Q20-F39 HydrophobicContact CB-CE1 4.49Å; Q20-F39 HydrophobicContact CB-CZ 4.11Å; Q20-F39 HydrophobicContact CG-CZ 4.18Å; Q20-F70 HydrophobicContact CB-CE1 3.8Å; Q20-F70 HydrophobicContact CB-CZ 3.92Å
21F93.5Very high86.8Confident7 Ų760.3 Ų60.33%0.03133%0.328CS..Hα-helixtrans-55.8-49.3174.3-173.9-102.3000111.3H17 D18 F23 L24 P26 G29 I31 D66 K67 F70H17-F21 PolarHBondContact O-N 2.73Å; D18-F21 PolarHBondContact O-N 3.02Å; F21-F23 VanDerWaalsContact C-N 3.25Å; F21-F23 PolarHBondContact O-N 2.84Å; F21-L24 PolarHBondContact O-N 2.8Å; F21-P26 HydrophobicContact CD1-CG 4.15Å; F21-P26 HydrophobicContact CE1-CB 3.86Å; F21-P26 HydrophobicContact CE1-CG 3.76Å; F21-P26 HydrophobicContact CZ-CB 3.91Å; F21-P26 HydrophobicContact CZ-CG 4.33Å; F21-P26 WeakPolarHBondContact O-CD 3.48Å; F21-G29 WeakPolarHBondContact CZ-O 3.33Å; F21-I31 HydrophobicContact CD2-CG2 4.17Å; F21-I31 HydrophobicContact CE2-CG1 4.17Å; F21-I31 HydrophobicContact CE2-CG2 3.86Å; F21-I31 HydrophobicContact CZ-CG2 4.4Å; F21-D66 WeakPolarHBondContact CE2-O 3.29Å; F21-K67 HydrophobicContact CD1-CB 4.18Å; F21-K67 HydrophobicContact CD1-CG 4.13Å; F21-K67 HydrophobicContact CE1-CB 3.97Å; F21-K67 HydrophobicContact CE1-CG 4.4Å; F21-K67 HydrophobicContact CZ-CB 4.24Å; F21-F70 HydrophobicContact CB-CD1 3.75Å; F21-F70 HydrophobicContact CB-CE1 4.04Å; F21-F70 HydrophobicContact CB-CG 4.31Å; F21-F70 HydrophobicContact CD2-CB 3.56Å; F21-F70 AromaticContact CD2-CD1 3.99Å; F21-F70 HydrophobicContact CD2-CD1 3.99Å; F21-F70 HydrophobicContact CD2-CD2 4.25Å; F21-F70 AromaticContact CD2-CG 3.67Å; F21-F70 HydrophobicContact CD2-CG 3.67Å; F21-F70 HydrophobicContact CE2-CB 4.05Å; F21-F70 HydrophobicContact CG-CD1 4.36Å; F21-F70 HydrophobicContact CG-CG 4.47Å
22Q90Very high87.4Confident109 Ų10960.2 Ų60.251%0.50933%0.327SS..Hα-helixtrans-61.5-32.4177.5-149.578.723.500113D18 Q20 L24 K25D18-Q22 PolarHBondContact O-N 2.84Å; Q20-Q22 PolarHBondContact O-N 3.43Å; Q22-L24 VanDerWaalsContact C-N 3.29Å; Q22-L24 PolarHBondContact O-N 3.33Å; Q22-K25 PolarHBondContact O-N 3.19Å
23F87.3Confident88Confident133 Ų13357.4 Ų57.458%0.58332%0.319SS*.Hα-helixtrans-68.5-28.3180-179.6-93.7000112.4A19 Q20 F21 K25A19-F23 PolarHBondContact O-N 3.02Å; Q20-F23 WeakPolarHBondContact O-CB 3.49Å; Q20-F23 PolarHBondContact O-N 3.36Å; Q20-F23 VanDerWaalsContact O-N 3.09Å; F21-F23 VanDerWaalsContact C-N 3.25Å; F21-F23 PolarHBondContact O-N 2.84Å; F23-K25 PolarHBondContact O-N 3.49Å
24L86.6Confident88.1Confident29 Ų2962.6 Ų62.615%0.15235%0.347CS..THydrogen-bonded Turntrans-76.5-2.4178.6-67.9174.6000114.5Q20 F21 Q22 I31 Q35 F39 F70Q20-L24 PolarHBondContact O-N 3.46Å; F21-L24 PolarHBondContact O-N 2.8Å; Q22-L24 VanDerWaalsContact C-N 3.29Å; Q22-L24 PolarHBondContact O-N 3.33Å; L24-I31 HydrophobicContact CB-CG2 4.1Å; L24-I31 HydrophobicContact CD1-CD1 3.96Å; L24-Q35 PolarHBondContact O-NE2 2.88Å; L24-Q35 VanDerWaalsContact O-NE2 3.08Å; L24-F39 HydrophobicContact CD1-CB 4.01Å; L24-F39 HydrophobicContact CD1-CD1 3.98Å; L24-F39 HydrophobicContact CD1-CD2 4.35Å; L24-F39 HydrophobicContact CD1-CG 3.86Å; L24-F39 HydrophobicContact CD2-CB 3.82Å; L24-F39 HydrophobicContact CD2-CD2 3.69Å; L24-F39 HydrophobicContact CD2-CE2 4.45Å; L24-F39 HydrophobicContact CD2-CG 3.85Å; L24-F39 HydrophobicContact CG-CD2 4.37Å; L24-F39 HydrophobicContact CG-CG 4.34Å; L24-F70 HydrophobicContact CD1-CD2 4.5Å; L24-F70 HydrophobicContact CD1-CE2 3.62Å; L24-F70 HydrophobicContact CD1-CZ 3.99Å
25K86.3Confident88.2Confident156 Ų15663.5 Ų63.568%0.67835%0.352SS*.  trans5569.3-178.3-59-177.6179.2-177.20111.7Q22 F23 Q35Q22-K25 PolarHBondContact O-N 3.19Å; F23-K25 PolarHBondContact O-N 3.49Å; K25-Q35 PolarHBondContact O-NE2 3.17Å
26P89.1Confident88.5Confident35 Ų3561.1 Ų61.123%0.22734%0.338CS..  trans-60.2138.9178.925.7-34.5000111.3F21 Y30 I31F21-P26 HydrophobicContact CD1-CG 4.15Å; F21-P26 HydrophobicContact CE1-CB 3.86Å; F21-P26 HydrophobicContact CE1-CG 3.76Å; F21-P26 HydrophobicContact CZ-CB 3.91Å; F21-P26 HydrophobicContact CZ-CG 4.33Å; F21-P26 WeakPolarHBondContact O-CD 3.48Å; P26-Y30 CarbonylContact C-O 3.55Å; P26-Y30 WeakPolarHBondContact CA-O 3.3Å; P26-Y30 VanDerWaalsContact CB-O 3.23Å; P26-Y30 WeakPolarHBondContact CB-O 3.48Å; P26-I31 HydrophobicContact CB-CG2 3.92Å
27V81.1Confident88.6Confident108 Ų10862.5 Ų62.566%0.65534%0.34SS*.BIsolated β-bridgetrans-100116.9179.7-178.10000108.2G29 Y30V27-G29 PolarHBondContact O-N 3.26Å; V27-Y30 PolarHBondContact N-O 3.17Å; V27-Y30 PolarHBondContact O-N 3Å
28G83Confident88.3Confident74 Ų7467.1 Ų67.176%0.76337%0.369SS*.THydrogen-bonded Turntrans68.616.7-178.500000115.1Y30G28-Y30 WeakPolarHBondContact O-CD2 3.49Å; G28-Y30 WeakPolarHBondContact O-CE2 3.5Å
29G86.9Confident88.5Confident42 Ų4267.3 Ų67.343%0.43337%0.368SS..THydrogen-bonded Turntrans96.9-1.1-177.600000115.1F21 V27F21-G29 WeakPolarHBondContact CZ-O 3.33Å; V27-G29 PolarHBondContact O-N 3.26Å
30Y90.9Very high88.8Confident95 Ų9566.7 Ų66.737%0.37336%0.362SS..BIsolated β-bridgetrans-123.7156.2-178.7-52.7-94.5000110.7P26 V27 G28 K64 M65 D66P26-Y30 CarbonylContact C-O 3.55Å; P26-Y30 WeakPolarHBondContact CA-O 3.3Å; P26-Y30 VanDerWaalsContact CB-O 3.23Å; P26-Y30 WeakPolarHBondContact CB-O 3.48Å; V27-Y30 PolarHBondContact N-O 3.17Å; V27-Y30 PolarHBondContact O-N 3Å; G28-Y30 WeakPolarHBondContact O-CD2 3.49Å; G28-Y30 WeakPolarHBondContact O-CE2 3.5Å; Y30-K64 HydrophobicContact CD1-CB 4.42Å; Y30-K64 HydrophobicContact CG-CB 4.43Å; Y30-K64 HydrophobicContact CG-CD 4.42Å; Y30-M65 WeakPolarHBondContact CA-O 3.42Å; Y30-D66 HydrophobicContact CD1-CB 4.03Å; Y30-D66 HydrophobicContact CE1-CB 4.06Å
31I91.7Very high88.8Confident0 Ų068.3 Ų68.30%037%0.371CS..EExtended strand (participates in β ladder)trans-101.8143.5162.263.6174.3000110.3F21 L24 P26 Q35 A36 K64 M65 F70F21-I31 HydrophobicContact CD2-CG2 4.17Å; F21-I31 HydrophobicContact CE2-CG1 4.17Å; F21-I31 HydrophobicContact CE2-CG2 3.86Å; F21-I31 HydrophobicContact CZ-CG2 4.4Å; L24-I31 HydrophobicContact CB-CG2 4.1Å; L24-I31 HydrophobicContact CD1-CD1 3.96Å; P26-I31 HydrophobicContact CB-CG2 3.92Å; I31-Q35 HydrophobicContact CB-CB 4.25Å; I31-A36 HydrophobicContact CD1-CB 3.76Å; I31-A36 HydrophobicContact CG1-CB 4.38Å; I31-K64 CarbonylContact O-C 3.58Å; I31-K64 WeakPolarHBondContact O-CA 3.34Å; I31-K64 WeakPolarHBondContact O-CB 3.23Å; I31-M65 HydrophobicContact CD1-CE 3.8Å; I31-M65 HydrophobicContact CG1-CB 3.96Å; I31-M65 HydrophobicContact CG1-CE 4.24Å; I31-M65 PolarHBondContact N-O 3.48Å; I31-M65 PolarHBondContact O-N 2.88Å; I31-F70 HydrophobicContact CD1-CD2 3.45Å; I31-F70 VanDerWaalsContact CD1-CD2 3.45Å; I31-F70 HydrophobicContact CD1-CE2 3.91Å; I31-F70 HydrophobicContact CD1-CG 4.38Å
32T90.2Very high88.6Confident57 Ų5775.6 Ų75.635%0.3540%0.402SS..EExtended strand (participates in β ladder)trans-78.4158.9175.667.80000111.6D34 Q35 A36T32-D34 PolarHBondContact O-N 2.94Å; T32-Q35 PolarHBondContact O-N 2.81Å; T32-Q35 PolarHBondContact OG1-N 2.92Å; T32-A36 PolarHBondContact O-N 2.91Å
33G87.3Confident88.6Confident27 Ų2771.7 Ų71.728%0.27839%0.387SS..Hα-helixtrans-50.3-37.9171.900000113.5R37G33-R37 WeakPolarHBondContact O-CB 3.46Å; G33-R37 PolarHBondContact O-N 3.19Å
34D86.4Confident88.6Confident126 Ų12668.8 Ų68.867%0.67439%0.394SS*.Hα-helixtrans-67.1-44.1175.8-72.2-42.9000113.2T32 A36 R37 V38T32-D34 PolarHBondContact O-N 2.94Å; D34-A36 VanDerWaalsContact C-N 3.35Å; D34-A36 PolarHBondContact O-N 2.85Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-V38 WeakPolarHBondContact O-CG2 3.34Å; D34-V38 PolarHBondContact O-N 3.23Å
35Q89.6Confident88.7Confident51 Ų5168.8 Ų68.824%0.23840%0.395CS..Hα-helixtrans-60.7-45.7176.7-73.1176.8-61.100111L24 K25 I31 T32 F39L24-Q35 PolarHBondContact O-NE2 2.88Å; L24-Q35 VanDerWaalsContact O-NE2 3.08Å; K25-Q35 PolarHBondContact O-NE2 3.17Å; I31-Q35 HydrophobicContact CB-CB 4.25Å; T32-Q35 PolarHBondContact O-N 2.81Å; T32-Q35 PolarHBondContact OG1-N 2.92Å; Q35-F39 PolarHBondContact O-N 3.34Å
36A90.7Very high88.9Confident0 Ų064.4 Ų64.40%038%0.384CS..Hα-helixtrans-68.1-41.8178.900000112.4I31 T32 D34 V38 F39 F40 W54 M65I31-A36 HydrophobicContact CD1-CB 3.76Å; I31-A36 HydrophobicContact CG1-CB 4.38Å; T32-A36 PolarHBondContact O-N 2.91Å; D34-A36 VanDerWaalsContact C-N 3.35Å; D34-A36 PolarHBondContact O-N 2.85Å; A36-V38 PolarHBondContact O-N 2.92Å; A36-F39 CarbonylContact O-C 3.55Å; A36-F39 PolarHBondContact O-N 2.77Å; A36-F40 HydrophobicContact CB-CD2 4.46Å; A36-F40 HydrophobicContact CB-CE2 4.31Å; A36-F40 WeakPolarHBondContact O-CB 3.34Å; A36-F40 WeakPolarHBondContact O-CG 3.45Å; A36-F40 PolarHBondContact O-N 3.03Å; A36-W54 HydrophobicContact CB-CE3 4.19Å; A36-W54 HydrophobicContact CB-CH2 4.34Å; A36-W54 HydrophobicContact CB-CZ3 3.42Å; A36-W54 VanDerWaalsContact CB-CZ3 3.42Å; A36-M65 HydrophobicContact CB-CE 4.13Å
37R88Confident88.8Confident137 Ų13765.2 Ų65.252%0.51739%0.388SS..Hα-helixtrans-57.9-46.5179.3-174.5177.3-158.7-101.60.8112G33 D34 F39 M41G33-R37 WeakPolarHBondContact O-CB 3.46Å; G33-R37 PolarHBondContact O-N 3.19Å; D34-R37 PolarHBondContact O-N 2.96Å; R37-F39 VanDerWaalsContact C-N 3.26Å; R37-F39 PolarHBondContact O-N 3.49Å; R37-M41 HydrophobicContact CG-SD 4.42Å; R37-M41 WeakPolarHBondContact O-CB 3.48Å; R37-M41 VanDerWaalsContact O-CG 3.29Å; R37-M41 WeakPolarHBondContact O-CG 3.47Å; R37-M41 PolarHBondContact O-N 3.4Å; R37-M41 VanDerWaalsContact O-N 3.09Å
38V87Confident89.1Confident105 Ų10565 Ų6564%0.63638%0.381SS*.Hα-helixtrans-64.6-31177.2174.40000112D34 A36D34-V38 WeakPolarHBondContact O-CG2 3.34Å; D34-V38 PolarHBondContact O-N 3.23Å; A36-V38 PolarHBondContact O-N 2.92Å
39F93.2Very high89.4Confident35 Ų3563.1 Ų63.115%0.15435%0.354CS..Hα-helixtrans-77.9-51.6176.3-171.7-110000112.5Q20 L24 Q35 A36 R37 M41 K42 F70 M74Q20-F39 HydrophobicContact CB-CE1 4.49Å; Q20-F39 HydrophobicContact CB-CZ 4.11Å; Q20-F39 HydrophobicContact CG-CZ 4.18Å; L24-F39 HydrophobicContact CD1-CB 4.01Å; L24-F39 HydrophobicContact CD1-CD1 3.98Å; L24-F39 HydrophobicContact CD1-CD2 4.35Å; L24-F39 HydrophobicContact CD1-CG 3.86Å; L24-F39 HydrophobicContact CD2-CB 3.82Å; L24-F39 HydrophobicContact CD2-CD2 3.69Å; L24-F39 HydrophobicContact CD2-CE2 4.45Å; L24-F39 HydrophobicContact CD2-CG 3.85Å; L24-F39 HydrophobicContact CG-CD2 4.37Å; L24-F39 HydrophobicContact CG-CG 4.34Å; Q35-F39 PolarHBondContact O-N 3.34Å; A36-F39 CarbonylContact O-C 3.55Å; A36-F39 PolarHBondContact O-N 2.77Å; R37-F39 VanDerWaalsContact C-N 3.26Å; R37-F39 PolarHBondContact O-N 3.49Å; F39-M41 VanDerWaalsContact C-N 3.32Å; F39-M41 PolarHBondContact O-N 3.42Å; F39-K42 VanDerWaalsContact O-CB 3.25Å; F39-K42 WeakPolarHBondContact O-CB 3.22Å; F39-K42 WeakPolarHBondContact O-CG 3.25Å; F39-K42 PolarHBondContact O-N 3.33Å; F39-F70 AromaticContact CD1-CE2 3.98Å; F39-F70 HydrophobicContact CD1-CE2 3.98Å; F39-F70 AromaticContact CD1-CZ 4Å; F39-F70 HydrophobicContact CD1-CZ 4Å; F39-F70 HydrophobicContact CE1-CE2 4.12Å; F39-F70 AromaticContact CE1-CZ 3.66Å; F39-F70 HydrophobicContact CE1-CZ 3.66Å; F39-M74 HydrophobicContact CD1-SD 4.42Å; F39-M74 HydrophobicContact CE1-SD 3.74Å
40F94Very high89.7Confident6 Ų661.8 Ų61.83%0.02634%0.337CS..Hα-helixtrans-65.8-30-176.3-69.7-12.4000113.5A36 K42 S43 L50 M65 F70 A73 M74 I77A36-F40 HydrophobicContact CB-CD2 4.46Å; A36-F40 HydrophobicContact CB-CE2 4.31Å; A36-F40 WeakPolarHBondContact O-CB 3.34Å; A36-F40 WeakPolarHBondContact O-CG 3.45Å; A36-F40 PolarHBondContact O-N 3.03Å; F40-K42 PolarHBondContact O-N 3.04Å; F40-K42 VanDerWaalsContact O-N 3.11Å; F40-S43 VanDerWaalsContact O-CB 3.31Å; F40-S43 WeakPolarHBondContact O-CB 3.39Å; F40-S43 PolarHBondContact O-N 3.41Å; F40-S43 PolarHBondContact O-OG 3.43Å; F40-L50 HydrophobicContact CB-CD1 4.01Å; F40-L50 HydrophobicContact CB-CD2 3.92Å; F40-L50 HydrophobicContact CB-CG 4.48Å; F40-M65 HydrophobicContact CE2-CE 3.87Å; F40-M65 HydrophobicContact CZ-CE 3.67Å; F40-F70 HydrophobicContact CE1-CD2 4.16Å; F40-F70 AromaticContact CE1-CE2 3.74Å; F40-F70 HydrophobicContact CE1-CE2 3.74Å; F40-F70 HydrophobicContact CZ-CD2 4.1Å; F40-F70 HydrophobicContact CZ-CE2 4.15Å; F40-A73 HydrophobicContact CE1-CB 4.45Å; F40-A73 HydrophobicContact CE2-CB 3.82Å; F40-A73 HydrophobicContact CZ-CB 3.44Å; F40-A73 VanDerWaalsContact CZ-CB 3.44Å; F40-M74 HydrophobicContact CD1-SD 4.32Å; F40-M74 HydrophobicContact CE1-SD 3.79Å; F40-I77 HydrophobicContact CB-CD1 4.18Å; F40-I77 HydrophobicContact CD1-CD1 3.41Å; F40-I77 VanDerWaalsContact CD1-CD1 3.41Å; F40-I77 HydrophobicContact CD2-CD1 4.2Å; F40-I77 HydrophobicContact CE1-CD1 3.72Å; F40-I77 HydrophobicContact CE2-CD1 4.44Å; F40-I77 HydrophobicContact CG-CD1 3.69Å; F40-I77 HydrophobicContact CZ-CD1 4.22Å
41M91.2Very high89.7Confident103 Ų10359 Ų5951%0.50734%0.338SS..G310 helixtrans-58.9-20.8171.9-79.1-1776600113.6R37 F39 S43 G44 L50R37-M41 HydrophobicContact CG-SD 4.42Å; R37-M41 WeakPolarHBondContact O-CB 3.48Å; R37-M41 VanDerWaalsContact O-CG 3.29Å; R37-M41 WeakPolarHBondContact O-CG 3.47Å; R37-M41 PolarHBondContact O-N 3.4Å; R37-M41 VanDerWaalsContact O-N 3.09Å; F39-M41 VanDerWaalsContact C-N 3.32Å; F39-M41 PolarHBondContact O-N 3.42Å; M41-S43 PolarHBondContact O-N 3.35Å; M41-G44 PolarHBondContact O-N 2.88Å; M41-L50 HydrophobicContact CG-CD1 4.25Å
42K89.2Confident89.6Confident159 Ų15964 Ų6469%0.69136%0.361SS*.G310 helixtrans-70.2-13.4174.8-59-178.8179.1-176.40113.7F39 F40 G44F39-K42 VanDerWaalsContact O-CB 3.25Å; F39-K42 WeakPolarHBondContact O-CB 3.22Å; F39-K42 WeakPolarHBondContact O-CG 3.25Å; F39-K42 PolarHBondContact O-N 3.33Å; F40-K42 PolarHBondContact O-N 3.04Å; F40-K42 VanDerWaalsContact O-N 3.11Å; K42-G44 VanDerWaalsContact C-N 3.28Å; K42-G44 PolarHBondContact O-N 3.02Å
43S90.2Very high89.8Confident28 Ų2861.2 Ų61.220%0.19634%0.344CS..G310 helixtrans-72.7-17.7175.9660000113.9F40 M41 L45F40-S43 VanDerWaalsContact O-CB 3.31Å; F40-S43 WeakPolarHBondContact O-CB 3.39Å; F40-S43 PolarHBondContact O-N 3.41Å; F40-S43 PolarHBondContact O-OG 3.43Å; M41-S43 PolarHBondContact O-N 3.35Å; S43-L45 PolarHBondContact O-N 2.93Å; S43-L45 PolarHBondContact OG-N 3.44Å
44G88.3Confident90Very high71 Ų7162.4 Ų62.473%0.73234%0.34SS*.  trans76.9-1.4-172.500000114.9M41 K42M41-G44 PolarHBondContact O-N 2.88Å; K42-G44 VanDerWaalsContact C-N 3.28Å; K42-G44 PolarHBondContact O-N 3.02Å
45L89.2Confident90.1Very high30 Ų3060 Ų6016%0.15734%0.337CS..  trans-69.9150.8173.2-62.3177.6000111.4S43 V49 L50 I53 I77 T80 L81S43-L45 PolarHBondContact O-N 2.93Å; S43-L45 PolarHBondContact OG-N 3.44Å; L45-V49 HydrophobicContact CB-CG1 4.05Å; L45-V49 HydrophobicContact CD1-CG1 4.12Å; L45-V49 HydrophobicContact CD2-CG1 4.4Å; L45-V49 HydrophobicContact CG-CG1 4.43Å; L45-L50 HydrophobicContact CB-CD2 3.87Å; L45-L50 HydrophobicContact CB-CG 4.06Å; L45-L50 HydrophobicContact CD1-CD2 4.17Å; L45-I53 HydrophobicContact CD1-CD1 3.99Å; L45-I77 HydrophobicContact CD1-CB 4.3Å; L45-I77 HydrophobicContact CD1-CG1 4.2Å; L45-I77 HydrophobicContact CD1-CG2 4Å; L45-T80 HydrophobicContact CD1-CG2 4.04Å; L45-T80 HydrophobicContact CD2-CG2 3.75Å; L45-L81 HydrophobicContact CD1-CG 4.5Å; L45-L81 HydrophobicContact CD2-CD2 3.73Å; L45-L81 HydrophobicContact CD2-CG 4.25Å; L45-L81 HydrophobicContact CG-CD2 4.08Å; L45-L81 HydrophobicContact CG-CG 4.39Å
46S89.4Confident90.2Very high64 Ų6458.8 Ų58.845%0.44833%0.333SS..  trans-67.3152.3-178.483.10000111.9M48 V49 L50S46-M48 PolarHBondContact O-N 3.44Å; S46-M48 VanDerWaalsContact O-N 3.14Å; S46-V49 PolarHBondContact O-N 2.83Å; S46-V49 WeakPolarHBondContact OG-CG2 3.46Å; S46-V49 PolarHBondContact OG-N 3.36Å; S46-L50 WeakPolarHBondContact O-CG 3.38Å; S46-L50 PolarHBondContact O-N 3.23Å
47V86.7Confident90.2Very high52 Ų5258.8 Ų58.832%0.31533%0.333SS..Hα-helixtrans-62.8-23.4-179.5-161.50000112.2G51V47-G51 PolarHBondContact O-N 2.84Å
48M88.2Confident90.3Very high103 Ų10353.1 Ų53.151%0.50731%0.313SS..Hα-helixtrans-71.9-46.9171.3-68.4-176.47000112S46 L50 G51 Q52 T1423S46-M48 PolarHBondContact O-N 3.44Å; S46-M48 VanDerWaalsContact O-N 3.14Å; M48-L50 VanDerWaalsContact C-N 3.33Å; M48-L50 PolarHBondContact O-N 3.32Å; M48-G51 PolarHBondContact O-N 3.03Å; M48-G51 VanDerWaalsContact O-N 3.15Å; M48-Q52 WeakPolarHBondContact O-CG 3.35Å; M48-Q52 PolarHBondContact O-N 2.93Å; M48-T1423 HydrophobicContact CG-CG2 4.43Å; M48-T1423 HydrophobicContact SD-CG2 3.5Å; M48-T1423 VanDerWaalsContact SD-CG2 3.5Å
49V90.1Very high90.3Very high34 Ų3452.4 Ų52.421%0.20630%0.303CS..Hα-helixtrans-62.4-42177.1167.50000110.4L45 S46 G51 Q52 I53 T80 L86L45-V49 HydrophobicContact CB-CG1 4.05Å; L45-V49 HydrophobicContact CD1-CG1 4.12Å; L45-V49 HydrophobicContact CD2-CG1 4.4Å; L45-V49 HydrophobicContact CG-CG1 4.43Å; S46-V49 PolarHBondContact O-N 2.83Å; S46-V49 WeakPolarHBondContact OG-CG2 3.46Å; S46-V49 PolarHBondContact OG-N 3.36Å; V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 2.72Å; V49-Q52 PolarHBondContact O-N 3.19Å; V49-I53 HydrophobicContact CG1-CD1 4.07Å; V49-I53 VanDerWaalsContact O-CG1 3.3Å; V49-I53 WeakPolarHBondContact O-CG1 3.48Å; V49-I53 PolarHBondContact O-N 2.99Å; V49-T80 HydrophobicContact CG1-CG2 3.96Å; V49-L86 HydrophobicContact CG1-CD1 3.79Å
50L92.6Very high89.9Confident15 Ų1555.2 Ų55.28%0.07932%0.32CS..Hα-helixtrans-65.7-34.1173.8-65.8-179.5000112.9F40 M41 L45 S46 M48 I53 W54 I77F40-L50 HydrophobicContact CB-CD1 4.01Å; F40-L50 HydrophobicContact CB-CD2 3.92Å; F40-L50 HydrophobicContact CB-CG 4.48Å; M41-L50 HydrophobicContact CG-CD1 4.25Å; L45-L50 HydrophobicContact CB-CD2 3.87Å; L45-L50 HydrophobicContact CB-CG 4.06Å; L45-L50 HydrophobicContact CD1-CD2 4.17Å; S46-L50 WeakPolarHBondContact O-CG 3.38Å; S46-L50 PolarHBondContact O-N 3.23Å; M48-L50 VanDerWaalsContact C-N 3.33Å; M48-L50 PolarHBondContact O-N 3.32Å; L50-I53 HydrophobicContact CD2-CD1 4.34Å; L50-I53 PolarHBondContact O-N 3.12Å; L50-W54 PolarHBondContact O-N 3.3Å; L50-I77 HydrophobicContact CD2-CD1 4.3Å; L50-I77 HydrophobicContact CD2-CG1 4.29Å
51G90.4Very high89.4Confident37 Ų3762.7 Ų62.738%0.38136%0.357SS..Hα-helixtrans-68.1-37.1172.800000113.2V47 M48 V49 W54 A55V47-G51 PolarHBondContact O-N 2.84Å; M48-G51 PolarHBondContact O-N 3.03Å; M48-G51 VanDerWaalsContact O-N 3.15Å; V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 2.72Å; G51-W54 PolarHBondContact O-N 3.07Å; G51-A55 WeakPolarHBondContact O-CB 3.46Å; G51-A55 PolarHBondContact O-N 2.91Å
52Q90.1Very high89.3Confident103 Ų10360.5 Ų60.548%0.48135%0.347SS..Hα-helixtrans-65.7-43.3171.3-71.7172.7-28.400111.4M48 V49 W54 A55 L56 L86M48-Q52 WeakPolarHBondContact O-CG 3.35Å; M48-Q52 PolarHBondContact O-N 2.93Å; V49-Q52 PolarHBondContact O-N 3.19Å; Q52-W54 VanDerWaalsContact C-N 3.33Å; Q52-W54 PolarHBondContact O-N 3.4Å; Q52-A55 PolarHBondContact O-N 3.31Å; Q52-L56 WeakPolarHBondContact O-CB 3.46Å; Q52-L56 VanDerWaalsContact O-CG 3.26Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 2.92Å; Q52-L86 HydrophobicContact CB-CD1 4.08Å
53I93.1Very high89Confident0 Ų054.9 Ų54.90%033%0.334CS..Hα-helixtrans-60.9-42.9175.3-70.9167.9000111.1L45 V49 L50 L56 A57 A73 L76 I77 L86L45-I53 HydrophobicContact CD1-CD1 3.99Å; V49-I53 HydrophobicContact CG1-CD1 4.07Å; V49-I53 VanDerWaalsContact O-CG1 3.3Å; V49-I53 WeakPolarHBondContact O-CG1 3.48Å; V49-I53 PolarHBondContact O-N 2.99Å; L50-I53 HydrophobicContact CD2-CD1 4.34Å; L50-I53 PolarHBondContact O-N 3.12Å; I53-L56 PolarHBondContact O-N 3.11Å; I53-A57 VanDerWaalsContact O-CB 3.22Å; I53-A57 WeakPolarHBondContact O-CB 3.29Å; I53-A57 PolarHBondContact O-N 3.16Å; I53-A73 HydrophobicContact CG2-CB 3.93Å; I53-L76 HydrophobicContact CD1-CB 4.44Å; I53-L76 HydrophobicContact CG1-CB 4.06Å; I53-L76 HydrophobicContact CG2-CB 4.01Å; I53-L76 HydrophobicContact CG2-CD1 4.17Å; I53-I77 HydrophobicContact CD1-CG1 3.79Å; I53-I77 HydrophobicContact CG2-CG1 4.27Å; I53-L86 HydrophobicContact CD1-CD1 4.23Å; I53-L86 HydrophobicContact CD1-CD2 4.06Å; I53-L86 HydrophobicContact CG1-CD1 3.79Å; I53-L86 HydrophobicContact CG1-CD2 3.57Å; I53-L86 HydrophobicContact CG1-CG 4.34Å
54W92.2Very high89Confident51 Ų5157.7 Ų57.719%0.19334%0.343CS..Hα-helixtrans-57-55172.9-176.4-78000111.1A36 L50 G51 Q52 L56 A57 D58 K64 M65A36-W54 HydrophobicContact CB-CE3 4.19Å; A36-W54 HydrophobicContact CB-CH2 4.34Å; A36-W54 HydrophobicContact CB-CZ3 3.42Å; A36-W54 VanDerWaalsContact CB-CZ3 3.42Å; L50-W54 PolarHBondContact O-N 3.3Å; G51-W54 PolarHBondContact O-N 3.07Å; Q52-W54 VanDerWaalsContact C-N 3.33Å; Q52-W54 PolarHBondContact O-N 3.4Å; W54-L56 PolarHBondContact O-N 2.94Å; W54-L56 VanDerWaalsContact O-N 3.12Å; W54-A57 PolarHBondContact O-N 2.71Å; W54-D58 PolarHBondContact NE1-OD2 2.63Å; W54-D58 VanDerWaalsContact O-CB 3.28Å; W54-D58 WeakPolarHBondContact O-CB 3.37Å; W54-D58 PolarHBondContact O-N 2.78Å; W54-K64 WeakPolarHBondContact CZ2-O 3.24Å; W54-M65 HydrophobicContact CE3-CE 4.28Å; W54-M65 HydrophobicContact CE3-SD 4.23Å; W54-M65 HydrophobicContact CH2-CB 3.95Å; W54-M65 HydrophobicContact CZ3-CB 4.23Å; W54-M65 HydrophobicContact CZ3-CE 3.76Å; W54-M65 HydrophobicContact CZ3-SD 4.03Å
55A89.3Confident89.2Confident75 Ų7554.3 Ų54.362%0.6231%0.309SS*.Hα-helixtrans-64.8-16.2-178.300000114.8G51 Q52G51-A55 WeakPolarHBondContact O-CB 3.46Å; G51-A55 PolarHBondContact O-N 2.91Å; Q52-A55 PolarHBondContact O-N 3.31Å
56L90.5Very high89.4Confident27 Ų2755.6 Ų55.614%0.14132%0.315CS..Hα-helixtrans-90.3-25172.1-72166.5000113.1Q52 I53 W54 L76 P87Q52-L56 WeakPolarHBondContact O-CB 3.46Å; Q52-L56 VanDerWaalsContact O-CG 3.26Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 2.92Å; I53-L56 PolarHBondContact O-N 3.11Å; W54-L56 PolarHBondContact O-N 2.94Å; W54-L56 VanDerWaalsContact O-N 3.12Å; L56-L76 HydrophobicContact CB-CD1 3.85Å; L56-L76 HydrophobicContact CD1-CD1 4.35Å; L56-P87 VanDerWaalsContact CD1-O 3.28Å; L56-P87 WeakPolarHBondContact CD1-O 3.49Å
57A91.8Very high89.5Confident0 Ų056.9 Ų56.90%031%0.313CS..Hα-helixtrans-99.3-35.9-173.200000113.6I53 W54 M59 M65 E69 I72 A73I53-A57 VanDerWaalsContact O-CB 3.22Å; I53-A57 WeakPolarHBondContact O-CB 3.29Å; I53-A57 PolarHBondContact O-N 3.16Å; W54-A57 PolarHBondContact O-N 2.71Å; A57-M59 WeakPolarHBondContact O-CG 3.37Å; A57-M59 PolarHBondContact O-N 3.15Å; A57-M65 HydrophobicContact CB-SD 4.17Å; A57-E69 WeakPolarHBondContact O-CB 3.27Å; A57-E69 WeakPolarHBondContact O-CG 3.28Å; A57-I72 HydrophobicContact CB-CB 4.37Å; A57-I72 HydrophobicContact CB-CG2 3.94Å; A57-A73 HydrophobicContact CB-CB 3.7Å
58D90.5Very high89.6Confident18 Ų1856.6 Ų56.610%0.09631%0.307CS..  trans-68.988.4170.5-178-6.8000108.2W54 M61 D62W54-D58 PolarHBondContact NE1-OD2 2.63Å; W54-D58 VanDerWaalsContact O-CB 3.28Å; W54-D58 WeakPolarHBondContact O-CB 3.37Å; W54-D58 PolarHBondContact O-N 2.78Å; D58-M61 WeakPolarHBondContact OD1-CA 3.38Å; D58-M61 PolarHBondContact OD1-N 2.98Å; D58-D62 PolarHBondContact OD1-N 3.38Å
59M85.4Confident89.8Confident89 Ų8952 Ų5244%0.43829%0.285SS..SBendtrans-85.6-26.2-167.9-64.7-158.9-49.800112.8A57 E69 I72 L90 K95A57-M59 WeakPolarHBondContact O-CG 3.37Å; A57-M59 PolarHBondContact O-N 3.15Å; M59-E69 HydrophobicContact CG-CG 4.4Å; M59-E69 PolarHBondContact N-OE1 3.41Å; M59-I72 HydrophobicContact SD-CD1 3.97Å; M59-L90 HydrophobicContact CG-CD2 4.22Å; M59-L90 HydrophobicContact SD-CD2 3.77Å; M59-K95 HydrophobicContact SD-CG 4.36Å
60D85.2Confident90Very high94 Ų9450.3 Ų50.350%0.50328%0.275SS..SBendtrans-96.8-9176.473.77.3000113.7D62 E69D60-D62 VanDerWaalsContact C-N 3.29Å; D60-D62 VanDerWaalsContact OD1-CB 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.46Å; D60-D62 PolarHBondContact OD1-N 3.22Å; D60-E69 PolarHBondContact N-OE1 3.13Å
61M84.5Confident90Very high164 Ų16449.6 Ų49.681%0.80827%0.271SS*.  trans6328.9-179.6-51.4-172.7-54.700113.4D58 G63D58-M61 WeakPolarHBondContact OD1-CA 3.38Å; D58-M61 PolarHBondContact OD1-N 2.98Å; M61-G63 VanDerWaalsContact C-N 3.25Å; M61-G63 PolarHBondContact O-N 2.89Å
62D87.6Confident90.1Very high56 Ų5647.9 Ų47.930%0.29925%0.253SS..SBendtrans-77.9-7.3179103.4-31.6000114.1D58 D60 K64D58-D62 PolarHBondContact OD1-N 3.38Å; D60-D62 VanDerWaalsContact C-N 3.29Å; D60-D62 VanDerWaalsContact OD1-CB 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.46Å; D60-D62 PolarHBondContact OD1-N 3.22Å; D62-K64 VanDerWaalsContact C-N 3.27Å; D62-K64 VanDerWaalsContact OD1-CA 3.27Å; D62-K64 WeakPolarHBondContact OD1-CA 3.31Å; D62-K64 WeakPolarHBondContact OD1-CB 3.33Å; D62-K64 WeakPolarHBondContact OD1-CG 3.39Å; D62-K64 PolarHBondContact OD1-N 3.12Å; D62-K64 IonicContact OD2-NZ 3.39Å; D62-K64 PolarHBondContact OD2-NZ 3.32Å
63G84.5Confident90.3Very high41 Ų4143 Ų4342%0.42323%0.23SC..SBendtrans77.511.7179.200000114.2M61M61-G63 VanDerWaalsContact C-N 3.25Å; M61-G63 PolarHBondContact O-N 2.89Å
64K90.1Very high90.4Very high88 Ų8844.1 Ų44.138%0.38324%0.236SC..EExtended strand (participates in β ladder)trans-121.3-169.2170.3-39.9-177.9-158.8980106.5Y30 I31 W54 D62Y30-K64 HydrophobicContact CD1-CB 4.42Å; Y30-K64 HydrophobicContact CG-CB 4.43Å; Y30-K64 HydrophobicContact CG-CD 4.42Å; I31-K64 CarbonylContact O-C 3.58Å; I31-K64 WeakPolarHBondContact O-CA 3.34Å; I31-K64 WeakPolarHBondContact O-CB 3.23Å; W54-K64 WeakPolarHBondContact CZ2-O 3.24Å; D62-K64 VanDerWaalsContact C-N 3.27Å; D62-K64 VanDerWaalsContact OD1-CA 3.27Å; D62-K64 WeakPolarHBondContact OD1-CA 3.31Å; D62-K64 WeakPolarHBondContact OD1-CB 3.33Å; D62-K64 WeakPolarHBondContact OD1-CG 3.39Å; D62-K64 PolarHBondContact OD1-N 3.12Å; D62-K64 IonicContact OD2-NZ 3.39Å; D62-K64 PolarHBondContact OD2-NZ 3.32Å
65M91.9Very high90.4Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-150.4125.8177.6-150.2165.643.800110.2Y30 I31 A36 F40 W54 A57 E69 F70 A73Y30-M65 WeakPolarHBondContact CA-O 3.42Å; I31-M65 HydrophobicContact CD1-CE 3.8Å; I31-M65 HydrophobicContact CG1-CB 3.96Å; I31-M65 HydrophobicContact CG1-CE 4.24Å; I31-M65 PolarHBondContact N-O 3.48Å; I31-M65 PolarHBondContact O-N 2.88Å; A36-M65 HydrophobicContact CB-CE 4.13Å; F40-M65 HydrophobicContact CE2-CE 3.87Å; F40-M65 HydrophobicContact CZ-CE 3.67Å; W54-M65 HydrophobicContact CE3-CE 4.28Å; W54-M65 HydrophobicContact CE3-SD 4.23Å; W54-M65 HydrophobicContact CH2-CB 3.95Å; W54-M65 HydrophobicContact CZ3-CB 4.23Å; W54-M65 HydrophobicContact CZ3-CE 3.76Å; W54-M65 HydrophobicContact CZ3-SD 4.03Å; A57-M65 HydrophobicContact CB-SD 4.17Å; M65-E69 WeakPolarHBondContact CA-OE2 3.19Å; M65-E69 HydrophobicContact CB-CB 4.49Å; M65-E69 HydrophobicContact CG-CB 3.29Å; M65-E69 HydrophobicContact SD-CB 4.28Å; M65-F70 HydrophobicContact CE-CB 4.13Å; M65-F70 HydrophobicContact CE-CD2 3.82Å; M65-F70 HydrophobicContact CE-CG 4.46Å; M65-A73 HydrophobicContact CE-CB 4.34Å; M65-A73 HydrophobicContact SD-CB 4.04Å
66D92.6Very high90.6Very high56 Ų5638.3 Ų38.330%0.29920%0.198SC..  trans-80.1-177.8177.599.8-18.7000112F21 Y30 K68 E69 F70F21-D66 WeakPolarHBondContact CE2-O 3.29Å; Y30-D66 HydrophobicContact CD1-CB 4.03Å; Y30-D66 HydrophobicContact CE1-CB 4.06Å; D66-K68 VanDerWaalsContact C-N 3.33Å; D66-K68 PolarHBondContact O-N 3.21Å; D66-K68 VanDerWaalsContact OD1-CA 3.29Å; D66-K68 WeakPolarHBondContact OD1-CA 3.17Å; D66-K68 VanDerWaalsContact OD1-CB 3.29Å; D66-K68 WeakPolarHBondContact OD1-CB 3.5Å; D66-K68 PolarHBondContact OD1-N 2.9Å; D66-E69 PolarHBondContact N-OE2 3.03Å; D66-E69 WeakPolarHBondContact OD1-CG 3.43Å; D66-E69 PolarHBondContact OD1-N 2.85Å; D66-F70 WeakPolarHBondContact O-CB 3.43Å; D66-F70 PolarHBondContact O-N 3.48Å
67K91.4Very high90.7Very high91 Ų9137.4 Ų37.440%0.39619%0.193SC..Hα-helixtrans-65.2-31.7-179.4-171.4-177.9175.1-161.30113.5D18 F21D18-K67 WeakPolarHBondContact OD1-CE 3.45Å; D18-K67 IonicContact OD1-NZ 2.59Å; D18-K67 WeakPolarHBondContact OD2-CE 3.45Å; D18-K67 IonicContact OD2-NZ 3.06Å; D18-K67 PolarHBondContact OD2-NZ 3.41Å; F21-K67 HydrophobicContact CD1-CB 4.18Å; F21-K67 HydrophobicContact CD1-CG 4.13Å; F21-K67 HydrophobicContact CE1-CB 3.97Å; F21-K67 HydrophobicContact CE1-CG 4.4Å; F21-K67 HydrophobicContact CZ-CB 4.24Å
68K89.6Confident90.7Very high46 Ų4640.7 Ų40.720%0.221%0.207CC..Hα-helixtrans-78.4-45.9178.4-179168.9-177.7149.30111R14 D66 S71 I72 K95 D97R14-K68 VanDerWaalsContact NH2-CA 3.33Å; D66-K68 VanDerWaalsContact C-N 3.33Å; D66-K68 PolarHBondContact O-N 3.21Å; D66-K68 VanDerWaalsContact OD1-CA 3.29Å; D66-K68 WeakPolarHBondContact OD1-CA 3.17Å; D66-K68 VanDerWaalsContact OD1-CB 3.29Å; D66-K68 WeakPolarHBondContact OD1-CB 3.5Å; D66-K68 PolarHBondContact OD1-N 2.9Å; K68-S71 WeakPolarHBondContact O-CB 3.21Å; K68-S71 PolarHBondContact O-N 3.42Å; K68-S71 VanDerWaalsContact O-N 3.16Å; K68-I72 HydrophobicContact CG-CD1 4.26Å; K68-I72 WeakPolarHBondContact O-CG1 3.22Å; K68-I72 PolarHBondContact O-N 3.43Å; K68-K95 WeakPolarHBondContact CE-O 3.31Å; K68-K95 PolarHBondContact NZ-O 2.96Å; K68-D97 IonicContact NZ-OD1 2.88Å; K68-D97 PolarHBondContact NZ-OD1 3.3Å
69E93Very high90.6Very high6 Ų641.2 Ų41.23%0.02821%0.209CC..Hα-helixtrans-64.6-42.5178.9-62.5176.513600111.5A57 M59 D60 M65 D66 S71 I72 A73A57-E69 WeakPolarHBondContact O-CB 3.27Å; A57-E69 WeakPolarHBondContact O-CG 3.28Å; M59-E69 HydrophobicContact CG-CG 4.4Å; M59-E69 PolarHBondContact N-OE1 3.41Å; D60-E69 PolarHBondContact N-OE1 3.13Å; M65-E69 WeakPolarHBondContact CA-OE2 3.19Å; M65-E69 HydrophobicContact CB-CB 4.49Å; M65-E69 HydrophobicContact CG-CB 3.29Å; M65-E69 HydrophobicContact SD-CB 4.28Å; D66-E69 PolarHBondContact N-OE2 3.03Å; D66-E69 WeakPolarHBondContact OD1-CG 3.43Å; D66-E69 PolarHBondContact OD1-N 2.85Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 2.79Å; E69-I72 WeakPolarHBondContact O-CB 3.39Å; E69-I72 PolarHBondContact O-N 2.78Å; E69-I72 VanDerWaalsContact O-N 3.13Å; E69-A73 PolarHBondContact O-N 3.09Å
70F94.2Very high90.9Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-60.1-37.1172.7179.7-94.5000112.5H17 Q20 F21 L24 I31 F39 F40 M65 D66 A73 M74H17-F70 VanDerWaalsContact O-CE1 3.29Å; H17-F70 WeakPolarHBondContact O-CE1 3.48Å; Q20-F70 HydrophobicContact CB-CE1 3.8Å; Q20-F70 HydrophobicContact CB-CZ 3.92Å; F21-F70 HydrophobicContact CB-CD1 3.75Å; F21-F70 HydrophobicContact CB-CE1 4.04Å; F21-F70 HydrophobicContact CB-CG 4.31Å; F21-F70 HydrophobicContact CD2-CB 3.56Å; F21-F70 AromaticContact CD2-CD1 3.99Å; F21-F70 HydrophobicContact CD2-CD1 3.99Å; F21-F70 HydrophobicContact CD2-CD2 4.25Å; F21-F70 AromaticContact CD2-CG 3.67Å; F21-F70 HydrophobicContact CD2-CG 3.67Å; F21-F70 HydrophobicContact CE2-CB 4.05Å; F21-F70 HydrophobicContact CG-CD1 4.36Å; F21-F70 HydrophobicContact CG-CG 4.47Å; L24-F70 HydrophobicContact CD1-CD2 4.5Å; L24-F70 HydrophobicContact CD1-CE2 3.62Å; L24-F70 HydrophobicContact CD1-CZ 3.99Å; I31-F70 HydrophobicContact CD1-CD2 3.45Å; I31-F70 VanDerWaalsContact CD1-CD2 3.45Å; I31-F70 HydrophobicContact CD1-CE2 3.91Å; I31-F70 HydrophobicContact CD1-CG 4.38Å; F39-F70 AromaticContact CD1-CE2 3.98Å; F39-F70 HydrophobicContact CD1-CE2 3.98Å; F39-F70 AromaticContact CD1-CZ 4Å; F39-F70 HydrophobicContact CD1-CZ 4Å; F39-F70 HydrophobicContact CE1-CE2 4.12Å; F39-F70 AromaticContact CE1-CZ 3.66Å; F39-F70 HydrophobicContact CE1-CZ 3.66Å; F40-F70 HydrophobicContact CE1-CD2 4.16Å; F40-F70 AromaticContact CE1-CE2 3.74Å; F40-F70 HydrophobicContact CE1-CE2 3.74Å; F40-F70 HydrophobicContact CZ-CD2 4.1Å; F40-F70 HydrophobicContact CZ-CE2 4.15Å; M65-F70 HydrophobicContact CE-CB 4.13Å; M65-F70 HydrophobicContact CE-CD2 3.82Å; M65-F70 HydrophobicContact CE-CG 4.46Å; D66-F70 WeakPolarHBondContact O-CB 3.43Å; D66-F70 PolarHBondContact O-N 3.48Å; F70-A73 PolarHBondContact O-N 3.38Å; F70-M74 HydrophobicContact CD1-CG 4.04Å; F70-M74 HydrophobicContact CE1-CG 3.55Å; F70-M74 HydrophobicContact CE1-SD 4.44Å; F70-M74 HydrophobicContact CE2-CG 4.3Å; F70-M74 HydrophobicContact CE2-SD 4.5Å; F70-M74 HydrophobicContact CZ-CG 3.73Å; F70-M74 HydrophobicContact CZ-SD 4.04Å; F70-M74 WeakPolarHBondContact O-CB 3.41Å; F70-M74 WeakPolarHBondContact O-CG 3.28Å; F70-M74 PolarHBondContact O-N 3.37Å
71S93Very high91Very high0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-67.9-36.9176.4-1720000112.6I9 R14 H17 K68 E69 F75I9-S71 WeakPolarHBondContact CD1-O 3.35Å; I9-S71 WeakPolarHBondContact CD1-OG 3.48Å; R14-S71 WeakPolarHBondContact CD-OG 3.49Å; H17-S71 PolarHBondContact ND1-O 3.27Å; H17-S71 VanDerWaalsContact ND1-O 3.12Å; H17-S71 PolarHBondContact ND1-OG 2.95Å; K68-S71 WeakPolarHBondContact O-CB 3.21Å; K68-S71 PolarHBondContact O-N 3.42Å; K68-S71 VanDerWaalsContact O-N 3.16Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 2.79Å; S71-F75 PolarHBondContact O-N 2.93Å; S71-F75 VanDerWaalsContact O-N 3.07Å
72I92.3Very high91.2Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-62.3-50.3171.6-70.6160000110.2I9 A57 M59 K68 E69 M74 F75 L76 L90 L94I9-I72 HydrophobicContact CD1-CG1 4.35Å; A57-I72 HydrophobicContact CB-CB 4.37Å; A57-I72 HydrophobicContact CB-CG2 3.94Å; M59-I72 HydrophobicContact SD-CD1 3.97Å; K68-I72 HydrophobicContact CG-CD1 4.26Å; K68-I72 WeakPolarHBondContact O-CG1 3.22Å; K68-I72 PolarHBondContact O-N 3.43Å; E69-I72 WeakPolarHBondContact O-CB 3.39Å; E69-I72 PolarHBondContact O-N 2.78Å; E69-I72 VanDerWaalsContact O-N 3.13Å; I72-M74 VanDerWaalsContact C-N 3.35Å; I72-M74 PolarHBondContact O-N 2.86Å; I72-F75 PolarHBondContact O-N 3.43Å; I72-L76 HydrophobicContact CG2-CD1 4.03Å; I72-L76 HydrophobicContact CG2-CG 4.46Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.43Å; I72-L90 HydrophobicContact CD1-CD2 4.07Å; I72-L90 HydrophobicContact CG2-CD1 3.42Å; I72-L90 VanDerWaalsContact CG2-CD1 3.42Å; I72-L90 HydrophobicContact CG2-CD2 4.09Å; I72-L90 HydrophobicContact CG2-CG 4.41Å; I72-L94 HydrophobicContact CG1-CD2 4.29Å; I72-L94 WeakPolarHBondContact CG1-O 3.39Å; I72-L94 HydrophobicContact CG2-CD2 4.43Å
73A94.3Very high90.9Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-58.8-43.7178.700000112.5F40 I53 A57 M65 E69 F70 F75 L76 I77F40-A73 HydrophobicContact CE1-CB 4.45Å; F40-A73 HydrophobicContact CE2-CB 3.82Å; F40-A73 HydrophobicContact CZ-CB 3.44Å; F40-A73 VanDerWaalsContact CZ-CB 3.44Å; I53-A73 HydrophobicContact CG2-CB 3.93Å; A57-A73 HydrophobicContact CB-CB 3.7Å; M65-A73 HydrophobicContact CE-CB 4.34Å; M65-A73 HydrophobicContact SD-CB 4.04Å; E69-A73 PolarHBondContact O-N 3.09Å; F70-A73 PolarHBondContact O-N 3.38Å; A73-F75 PolarHBondContact O-N 3.24Å; A73-L76 PolarHBondContact O-N 3.3Å; A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3.22Å
74M94.4Very high90.7Very high24 Ų2435.9 Ų35.912%0.11819%0.188CC..Hα-helixtrans-63.8-38.5176.3-76.7-53.9-49.100113.1H17 F39 F40 F70 I72 I77 K78H17-M74 HydrophobicContact CB-CB 4.34Å; H17-M74 VanDerWaalsContact CD2-CB 3.49Å; H17-M74 WeakPolarHBondContact CD2-CB 3.48Å; F39-M74 HydrophobicContact CD1-SD 4.42Å; F39-M74 HydrophobicContact CE1-SD 3.74Å; F40-M74 HydrophobicContact CD1-SD 4.32Å; F40-M74 HydrophobicContact CE1-SD 3.79Å; F70-M74 HydrophobicContact CD1-CG 4.04Å; F70-M74 HydrophobicContact CE1-CG 3.55Å; F70-M74 HydrophobicContact CE1-SD 4.44Å; F70-M74 HydrophobicContact CE2-CG 4.3Å; F70-M74 HydrophobicContact CE2-SD 4.5Å; F70-M74 HydrophobicContact CZ-CG 3.73Å; F70-M74 HydrophobicContact CZ-SD 4.04Å; F70-M74 WeakPolarHBondContact O-CB 3.41Å; F70-M74 WeakPolarHBondContact O-CG 3.28Å; F70-M74 PolarHBondContact O-N 3.37Å; I72-M74 VanDerWaalsContact C-N 3.35Å; I72-M74 PolarHBondContact O-N 2.86Å; M74-I77 PolarHBondContact O-N 3.26Å; M74-I77 HydrophobicContact SD-CD1 4.24Å; M74-K78 WeakPolarHBondContact O-CB 3.49Å; M74-K78 PolarHBondContact O-N 2.91Å
75F93Very high90.3Very high5 Ų536.8 Ų36.82%0.02220%0.203CC..Hα-helixtrans-67-40.8174.9-168.2-88.8000112.1R6 W7 V8 I9 S71 I72 A73 K78 K79 L94R6-F75 WeakPolarHBondContact O-CZ 3.36Å; W7-F75 HydrophobicContact CE3-CD1 4.35Å; W7-F75 AromaticContact CE3-CE1 3.95Å; W7-F75 HydrophobicContact CE3-CE1 3.95Å; W7-F75 HydrophobicContact CZ3-CE1 4.5Å; V8-F75 WeakPolarHBondContact O-CE2 3.35Å; V8-F75 VanDerWaalsContact O-CZ 3.24Å; V8-F75 WeakPolarHBondContact O-CZ 3.2Å; I9-F75 HydrophobicContact CB-CD2 4.32Å; I9-F75 HydrophobicContact CD1-CB 4.15Å; I9-F75 HydrophobicContact CG1-CB 4.05Å; I9-F75 HydrophobicContact CG1-CD2 3.91Å; I9-F75 HydrophobicContact CG1-CG 3.97Å; I9-F75 HydrophobicContact CG2-CD2 4.41Å; S71-F75 PolarHBondContact O-N 2.93Å; S71-F75 VanDerWaalsContact O-N 3.07Å; I72-F75 PolarHBondContact O-N 3.43Å; A73-F75 PolarHBondContact O-N 3.24Å; F75-K78 PolarHBondContact O-N 3.42Å; F75-K79 HydrophobicContact CD1-CG 3.88Å; F75-K79 HydrophobicContact CE1-CD 4.13Å; F75-K79 HydrophobicContact CE1-CG 3.53Å; F75-K79 HydrophobicContact CZ-CD 4.28Å; F75-K79 VanDerWaalsContact CZ-CE 3.42Å; F75-K79 HydrophobicContact CZ-CG 4.1Å; F75-K79 WeakPolarHBondContact O-CG 3.22Å; F75-K79 PolarHBondContact O-N 3.36Å; F75-L94 HydrophobicContact CB-CD2 4Å; F75-L94 HydrophobicContact CD1-CD1 4.22Å; F75-L94 HydrophobicContact CD1-CD2 3.69Å; F75-L94 HydrophobicContact CD1-CG 4.34Å; F75-L94 HydrophobicContact CE1-CD2 4.41Å; F75-L94 HydrophobicContact CG-CD2 3.97Å
76L92.5Very high89.9Confident0 Ų038.6 Ų38.60%021%0.212CC..Hα-helixtrans-61.5-43.6174-68.9171.6000111.5W7 I53 L56 I72 A73 K79 T80 L86 P87 L90 L94W7-L76 HydrophobicContact CZ3-CD2 3.92Å; I53-L76 HydrophobicContact CD1-CB 4.44Å; I53-L76 HydrophobicContact CG1-CB 4.06Å; I53-L76 HydrophobicContact CG2-CB 4.01Å; I53-L76 HydrophobicContact CG2-CD1 4.17Å; L56-L76 HydrophobicContact CB-CD1 3.85Å; L56-L76 HydrophobicContact CD1-CD1 4.35Å; I72-L76 HydrophobicContact CG2-CD1 4.03Å; I72-L76 HydrophobicContact CG2-CG 4.46Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.43Å; A73-L76 PolarHBondContact O-N 3.3Å; L76-K79 PolarHBondContact O-N 2.67Å; L76-T80 WeakPolarHBondContact O-CB 3.47Å; L76-T80 PolarHBondContact O-N 3.08Å; L76-T80 PolarHBondContact O-OG1 2.93Å; L76-L86 HydrophobicContact CB-CD2 4.18Å; L76-L86 HydrophobicContact CD2-CD2 4.2Å; L76-P87 HydrophobicContact CD2-CG 3.99Å; L76-L90 HydrophobicContact CD1-CD1 4.33Å; L76-L94 HydrophobicContact CD2-CD1 4.21Å
77I93.7Very high89.3Confident8 Ų837.1 Ų37.14%0.04121%0.206CC..Hα-helixtrans-59-48.7174.3-69.8168.6000110.7F40 L45 L50 I53 A73 M74 K79 T80 L81F40-I77 HydrophobicContact CB-CD1 4.18Å; F40-I77 HydrophobicContact CD1-CD1 3.41Å; F40-I77 VanDerWaalsContact CD1-CD1 3.41Å; F40-I77 HydrophobicContact CD2-CD1 4.2Å; F40-I77 HydrophobicContact CE1-CD1 3.72Å; F40-I77 HydrophobicContact CE2-CD1 4.44Å; F40-I77 HydrophobicContact CG-CD1 3.69Å; F40-I77 HydrophobicContact CZ-CD1 4.22Å; L45-I77 HydrophobicContact CD1-CB 4.3Å; L45-I77 HydrophobicContact CD1-CG1 4.2Å; L45-I77 HydrophobicContact CD1-CG2 4Å; L50-I77 HydrophobicContact CD2-CD1 4.3Å; L50-I77 HydrophobicContact CD2-CG1 4.29Å; I53-I77 HydrophobicContact CD1-CG1 3.79Å; I53-I77 HydrophobicContact CG2-CG1 4.27Å; A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3.22Å; M74-I77 PolarHBondContact O-N 3.26Å; M74-I77 HydrophobicContact SD-CD1 4.24Å; I77-K79 PolarHBondContact O-N 2.76Å; I77-T80 PolarHBondContact O-N 3.01Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 WeakPolarHBondContact O-CG 3.46Å; I77-L81 PolarHBondContact O-N 2.78Å
78K91.6Very high88.6Confident68 Ų6838.3 Ų38.330%0.29623%0.225SC..Hα-helixtrans-55.9-51.2178.1178.9-178.8177.3-176.60111.5D13 M74 F75 T80 L81 E82D13-K78 IonicContact OD1-NZ 2.65Å; D13-K78 PolarHBondContact OD1-NZ 3.38Å; D13-K78 IonicContact OD2-NZ 2.91Å; D13-K78 PolarHBondContact OD2-NZ 3.5Å; M74-K78 WeakPolarHBondContact O-CB 3.49Å; M74-K78 PolarHBondContact O-N 2.91Å; F75-K78 PolarHBondContact O-N 3.42Å; K78-T80 VanDerWaalsContact C-N 3.35Å; K78-T80 PolarHBondContact O-N 2.9Å; K78-L81 PolarHBondContact O-N 3.01Å; K78-E82 WeakPolarHBondContact CE-OE1 3.46Å; K78-E82 WeakPolarHBondContact CG-OE1 3.4Å; K78-E82 WeakPolarHBondContact O-CG 3.5Å; K78-E82 PolarHBondContact O-N 3.19Å
79K89Confident88.1Confident29 Ų2941.1 Ų41.113%0.12625%0.246CC..Hα-helixtrans-65.2-35.8179.5-67.4-71.1158.2-152.40113R6 W7 F75 L76 I77 E82 G83 L84R6-K79 WeakPolarHBondContact O-CE 3.49Å; W7-K79 HydrophobicContact CE3-CG 4.39Å; W7-K79 HydrophobicContact CH2-CB 4.1Å; W7-K79 HydrophobicContact CZ3-CB 3.87Å; W7-K79 HydrophobicContact CZ3-CG 3.92Å; F75-K79 HydrophobicContact CD1-CG 3.88Å; F75-K79 HydrophobicContact CE1-CD 4.13Å; F75-K79 HydrophobicContact CE1-CG 3.53Å; F75-K79 HydrophobicContact CZ-CD 4.28Å; F75-K79 VanDerWaalsContact CZ-CE 3.42Å; F75-K79 HydrophobicContact CZ-CG 4.1Å; F75-K79 WeakPolarHBondContact O-CG 3.22Å; F75-K79 PolarHBondContact O-N 3.36Å; L76-K79 PolarHBondContact O-N 2.67Å; I77-K79 PolarHBondContact O-N 2.76Å; K79-E82 WeakPolarHBondContact CD-OE2 3.39Å; K79-E82 WeakPolarHBondContact CE-OE2 3.45Å; K79-E82 IonicContact NZ-OE1 2.74Å; K79-E82 IonicContact NZ-OE2 2.76Å; K79-E82 PolarHBondContact NZ-OE2 3.5Å; K79-E82 PolarHBondContact O-N 3.48Å; K79-G83 PolarHBondContact O-N 2.88Å; K79-L84 HydrophobicContact CB-CB 4.49Å; K79-L84 HydrophobicContact CB-CD1 4.23Å; K79-L84 HydrophobicContact CD-CD1 3.53Å; K79-L84 HydrophobicContact CG-CD1 4.44Å; K79-L84 WeakPolarHBondContact O-CB 3.27Å; K79-L84 PolarHBondContact O-N 3.4Å
80T90.6Very high87.6Confident27 Ų2741.6 Ų41.617%0.16625%0.249CC..Hα-helixtrans-66.5-38.7175.6-50.20000111.8L45 V49 L76 I77 K78 G83 L86L45-T80 HydrophobicContact CD1-CG2 4.04Å; L45-T80 HydrophobicContact CD2-CG2 3.75Å; V49-T80 HydrophobicContact CG1-CG2 3.96Å; L76-T80 WeakPolarHBondContact O-CB 3.47Å; L76-T80 PolarHBondContact O-N 3.08Å; L76-T80 PolarHBondContact O-OG1 2.93Å; I77-T80 PolarHBondContact O-N 3.01Å; K78-T80 VanDerWaalsContact C-N 3.35Å; K78-T80 PolarHBondContact O-N 2.9Å; T80-G83 PolarHBondContact O-N 3.48Å; T80-L86 WeakPolarHBondContact OG1-CD2 3.27Å
81L88.1Confident86.8Confident100 Ų10042.4 Ų42.452%0.52425%0.254SS..Hα-helixtrans-72-28.2174.9-69.8172.2000113.3L45 I77 K78 G83L45-L81 HydrophobicContact CD1-CG 4.5Å; L45-L81 HydrophobicContact CD2-CD2 3.73Å; L45-L81 HydrophobicContact CD2-CG 4.25Å; L45-L81 HydrophobicContact CG-CD2 4.08Å; L45-L81 HydrophobicContact CG-CG 4.39Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 WeakPolarHBondContact O-CG 3.46Å; I77-L81 PolarHBondContact O-N 2.78Å; K78-L81 PolarHBondContact O-N 3.01Å; L81-G83 PolarHBondContact O-N 3.15Å
82E87.5Confident85.7Confident102 Ų10245.5 Ų45.548%0.47728%0.275SS..THydrogen-bonded Turntrans-71.9-1.1169.2-70.2169.5-166.300113K78 K79K78-E82 WeakPolarHBondContact CE-OE1 3.46Å; K78-E82 WeakPolarHBondContact CG-OE1 3.4Å; K78-E82 WeakPolarHBondContact O-CG 3.5Å; K78-E82 PolarHBondContact O-N 3.19Å; K79-E82 WeakPolarHBondContact CD-OE2 3.39Å; K79-E82 WeakPolarHBondContact CE-OE2 3.45Å; K79-E82 IonicContact NZ-OE1 2.74Å; K79-E82 IonicContact NZ-OE2 2.76Å; K79-E82 PolarHBondContact NZ-OE2 3.5Å; K79-E82 PolarHBondContact O-N 3.48Å
83G81.5Confident84.6Confident64 Ų6446.5 Ų46.566%0.6628%0.284SS*.THydrogen-bonded Turntrans88.29.3176.700000115.3K79 T80 L81K79-G83 PolarHBondContact O-N 2.88Å; T80-G83 PolarHBondContact O-N 3.48Å; L81-G83 PolarHBondContact O-N 3.15Å
84L80.8Confident83.8Confident40 Ų4046.6 Ų46.621%0.20929%0.285CS..PPolyproline II helixtrans-81.8136.8174-67.8161.1000110.6K79K79-L84 HydrophobicContact CB-CB 4.49Å; K79-L84 HydrophobicContact CB-CD1 4.23Å; K79-L84 HydrophobicContact CD-CD1 3.53Å; K79-L84 HydrophobicContact CG-CD1 4.44Å; K79-L84 WeakPolarHBondContact O-CB 3.27Å; K79-L84 PolarHBondContact O-N 3.4Å
85P81.8Confident82.7Confident107 Ų10750.3 Ų50.370%0.69530%0.3SS*.PPolyproline II helixtrans-65.3146.1175.328.1-34.3000111
86L84.1Confident81.3Confident38 Ų3855.5 Ų55.520%0.19933%0.328CS..PPolyproline II helixtrans-64.4136.9175-80.8171000110.9V49 Q52 I53 L76 T80V49-L86 HydrophobicContact CG1-CD1 3.79Å; Q52-L86 HydrophobicContact CB-CD1 4.08Å; I53-L86 HydrophobicContact CD1-CD1 4.23Å; I53-L86 HydrophobicContact CD1-CD2 4.06Å; I53-L86 HydrophobicContact CG1-CD1 3.79Å; I53-L86 HydrophobicContact CG1-CD2 3.57Å; I53-L86 HydrophobicContact CG1-CG 4.34Å; L76-L86 HydrophobicContact CB-CD2 4.18Å; L76-L86 HydrophobicContact CD2-CD2 4.2Å; T80-L86 WeakPolarHBondContact OG1-CD2 3.27Å
87P79.3Confident79.7Confident25 Ų2560.8 Ų60.816%0.16236%0.357CS..PPolyproline II helixtrans-74.7137.8177.532.5-33.3000109.8W7 L56 L76 T89 P91W7-P87 HydrophobicContact CH2-CG 4.02Å; W7-P87 HydrophobicContact CZ2-CB 4.38Å; W7-P87 HydrophobicContact CZ2-CG 4.2Å; W7-P87 HydrophobicContact CZ3-CG 4.28Å; L56-P87 VanDerWaalsContact CD1-O 3.28Å; L56-P87 WeakPolarHBondContact CD1-O 3.49Å; L76-P87 HydrophobicContact CD2-CG 3.99Å; P87-T89 PolarHBondContact O-N 2.88Å; P87-P91 HydrophobicContact CB-CG 3.92Å; P87-P91 HydrophobicContact CG-CG 3.85Å
88S75.7Confident77.7Confident115 Ų11562.3 Ų62.380%0.80437%0.367SS*.SBendtrans-66.5-20.2-178.651.90000114
89T80.5Confident75.2Confident105 Ų10565.2 Ų65.264%0.64438%0.382SS*.SBendtrans-141152.1171.358.10000109.5P87 P91P87-T89 PolarHBondContact O-N 2.88Å; T89-P91 WeakPolarHBondContact O-CD 3.33Å
90L81.9Confident72.5Confident16 Ų1667.7 Ų67.78%0.08440%0.401CS..  trans-65.7117-174.2-173.270.3000112M59 I72 L76 L94 K95M59-L90 HydrophobicContact CG-CD2 4.22Å; M59-L90 HydrophobicContact SD-CD2 3.77Å; I72-L90 HydrophobicContact CD1-CD2 4.07Å; I72-L90 HydrophobicContact CG2-CD1 3.42Å; I72-L90 VanDerWaalsContact CG2-CD1 3.42Å; I72-L90 HydrophobicContact CG2-CD2 4.09Å; I72-L90 HydrophobicContact CG2-CG 4.41Å; L76-L90 HydrophobicContact CD1-CD1 4.33Å; L90-L94 HydrophobicContact CD1-CB 4Å; L90-L94 HydrophobicContact CD1-CD1 3.96Å; L90-L94 HydrophobicContact CG-CB 4.21Å; L90-K95 HydrophobicContact CD2-CD 4.49Å; L90-K95 HydrophobicContact CD2-CG 3.85Å; L90-K95 HydrophobicContact CG-CG 4.43Å; L90-K95 WeakPolarHBondContact O-CE 3.49Å
91P77.1Confident69.7Low17 Ų1770.8 Ų70.811%0.1143%0.429CS..  trans-58.7145-176.9-26.835.4000113.5W7 P87 T89 G93 L94W7-P91 HydrophobicContact CB-CB 3.75Å; W7-P91 HydrophobicContact CB-CG 4.08Å; W7-P91 HydrophobicContact CD2-CG 3.85Å; W7-P91 HydrophobicContact CE3-CG 4.26Å; W7-P91 HydrophobicContact CG-CB 3.94Å; W7-P91 HydrophobicContact CG-CG 3.78Å; P87-P91 HydrophobicContact CB-CG 3.92Å; P87-P91 HydrophobicContact CG-CG 3.85Å; T89-P91 WeakPolarHBondContact O-CD 3.33Å; P91-G93 VanDerWaalsContact C-N 3.29Å; P91-G93 PolarHBondContact O-N 3.08Å; P91-L94 HydrophobicContact CB-CD1 4.41Å; P91-L94 HydrophobicContact CG-CD1 4.15Å; P91-L94 WeakPolarHBondContact O-CB 3.19Å; P91-L94 PolarHBondContact O-N 3.44Å
92P70.9Confident67Low66 Ų6673.9 Ų73.943%0.42944%0.439SS..Hα-helixtrans-59-34.2-177.4-29.138.7000114.8W4 L94 K95W4-P92 HydrophobicContact CH2-CG 4.01Å; W4-P92 HydrophobicContact CZ3-CB 4.05Å; W4-P92 HydrophobicContact CZ3-CG 3.64Å; P92-L94 PolarHBondContact O-N 2.85Å; P92-K95 PolarHBondContact O-N 2.88Å; P92-K95 VanDerWaalsContact O-N 3.07Å
93G68.7Low64.1Low20 Ų2076.8 Ų76.821%0.20646%0.456CS..Hα-helixtrans-62.9-20.117700000114.8W7 P91W7-G93 CarbonylContact O-C 3.35Å; W7-G93 VanDerWaalsContact O-CA 3.31Å; W7-G93 WeakPolarHBondContact O-CA 3.25Å; P91-G93 VanDerWaalsContact C-N 3.29Å; P91-G93 PolarHBondContact O-N 3.08Å
94L76.4Confident61.5Low3 Ų379.2 Ų79.22%0.01646%0.458CS..Hα-helixtrans-85.5-16.3175.5-86158.2000113.5W7 I9 I72 F75 L76 L90 P91 P92W7-L94 HydrophobicContact CB-CD1 4.45Å; W7-L94 HydrophobicContact CE3-CD1 3.79Å; W7-L94 PolarHBondContact O-N 2.95Å; I9-L94 HydrophobicContact CD1-CD2 3.69Å; I9-L94 HydrophobicContact CG1-CD2 3.49Å; I9-L94 VanDerWaalsContact CG1-CD2 3.49Å; I72-L94 HydrophobicContact CG1-CD2 4.29Å; I72-L94 WeakPolarHBondContact CG1-O 3.39Å; I72-L94 HydrophobicContact CG2-CD2 4.43Å; F75-L94 HydrophobicContact CB-CD2 4Å; F75-L94 HydrophobicContact CD1-CD1 4.22Å; F75-L94 HydrophobicContact CD1-CD2 3.69Å; F75-L94 HydrophobicContact CD1-CG 4.34Å; F75-L94 HydrophobicContact CE1-CD2 4.41Å; F75-L94 HydrophobicContact CG-CD2 3.97Å; L76-L94 HydrophobicContact CD2-CD1 4.21Å; L90-L94 HydrophobicContact CD1-CB 4Å; L90-L94 HydrophobicContact CD1-CD1 3.96Å; L90-L94 HydrophobicContact CG-CB 4.21Å; P91-L94 HydrophobicContact CB-CD1 4.41Å; P91-L94 HydrophobicContact CG-CD1 4.15Å; P91-L94 WeakPolarHBondContact O-CB 3.19Å; P91-L94 PolarHBondContact O-N 3.44Å; P92-L94 PolarHBondContact O-N 2.85Å
95K71.8Confident59Low101 Ų10183.3 Ų83.344%0.43949%0.49SS..Hα-helixtrans-87.9-22.2-179.3-64.9179.8179.3174.30112.9M59 K68 L90 P92M59-K95 HydrophobicContact SD-CG 4.36Å; K68-K95 WeakPolarHBondContact CE-O 3.31Å; K68-K95 PolarHBondContact NZ-O 2.96Å; L90-K95 HydrophobicContact CD2-CD 4.49Å; L90-K95 HydrophobicContact CD2-CG 3.85Å; L90-K95 HydrophobicContact CG-CG 4.43Å; L90-K95 WeakPolarHBondContact O-CE 3.49Å; P92-K95 PolarHBondContact O-N 2.88Å; P92-K95 VanDerWaalsContact O-N 3.07Å
96N64.1Low56.4Low114 Ų11481.9 Ų81.961%0.6150%0.495SS*.SBendtrans-83.6152.9-179.8-63.2-20.7000111
97D58.7Low53.9Low111 Ų11187 Ų8759%0.59453%0.528SS*.PPolyproline II helixtrans-72.8150.4175.2-63.4-31.2000110.4K68 Q99K68-D97 IonicContact NZ-OD1 2.88Å; K68-D97 PolarHBondContact NZ-OD1 3.3Å; D97-Q99 PolarHBondContact O-N 2.94Å
98P51.1Low51.2Low40 Ų4091.5 Ų91.526%0.2656%0.555SS.*PPolyproline II helixtrans-64.1128.5-16325.6-36.8000112.8I9 T11 R14I9-P98 WeakPolarHBondContact O-CB 3.37Å; T11-P98 HydrophobicContact CG2-CB 4.02Å; T11-P98 HydrophobicContact CG2-CG 4.19Å; R14-P98 HydrophobicContact CB-CB 4.45Å; R14-P98 HydrophobicContact CB-CG 4.18Å; R14-P98 HydrophobicContact CG-CG 4.16Å
99Q39.2Very low49.1Very low129 Ų12994.7 Ų94.760%0.60356%0.561SS**PPolyproline II helixtrans-70.6138.8174.2-73.3-98.7-39.300110.6D97D97-Q99 PolarHBondContact O-N 2.94Å
100P32.2Very low46.5Very low82 Ų8294.3 Ų94.353%0.53256%0.563SS.*PPolyproline II helixtrans-67.9140.116830-33.3000109.9F102P100-F102 PolarHBondContact O-N 2.86Å
101A33.3Very low44.1Very low92 Ų92101.6 Ų101.676%0.7660%0.601SS**  trans-67.2115.1176.300000110.2I103A101-I103 PolarHBondContact O-N 2.91Å
102F29.6Very low41.6Very low165 Ų165105.5 Ų105.572%0.72463%0.629SS**  trans-75.3112.5176-88.4-88.5000111.1P100 T104P100-F102 PolarHBondContact O-N 2.86Å; F102-T104 PolarHBondContact O-N 2.92Å
103I27.6Very low39.5Very low162 Ų162109.4 Ų109.483%0.83165%0.646SS**  trans-77.7110.8163-56.8166.1000107.6A101A101-I103 PolarHBondContact O-N 2.91Å
104T27Very low37.7Very low115 Ų115114.9 Ų114.971%0.70668%0.675SS**  trans-150.9108.7168.333.50000113.3F102F102-T104 PolarHBondContact O-N 2.92Å
105S28.2Very low35.5Very low127 Ų127120 Ų12089%0.88871%0.711SS**  -174.4122.8126-81.70000112.1
106G26.5Very low33.4Very low77 Ų77122.4 Ų122.479%0.79473%0.729SS**  trans97.281.7155.600000118.1
107V31.5Very low31.7Very low146 Ų146122.2 Ų122.289%0.88574%0.736SS**  -178.8130.1108.81540000108.5
108T24Very low30.2Very low119 Ų119120.5 Ų120.573%0.7374%0.744SS**  trans-88.7133.5179.346.30000112.2
109L31.8Very low29.3Very low181 Ų181126.2 Ų126.295%0.94877%0.773SS**  trans-140.8137140.7-84.7-176.1000109.7
110S24.9Very low29Very low98 Ų98127.7 Ų127.769%0.68579%0.785SS**  trans-130.7133.8-165.5-48.60000111.3
111L30.9Very low28.8Very low168 Ų168127.4 Ų127.488%0.8880%0.797SS**  trans-167.7114.6160.3-88.8127.6000104.7
112S26.2Very low28.8Very low99 Ų99131.2 Ų131.269%0.69280%0.803SS**  cis57.9119.535.7-132.90000110.1
113L26.5Very low29Very low149 Ų149128.4 Ų128.478%0.7880%0.804SS**  cis-145.317927.7-70.8100.2000109.5
114V30.2Very low29.2Very low134 Ų134126.2 Ų126.281%0.81280%0.803SS**  cis-152.5165.422.9-128.40000111.5
115S30.7Very low29.6Very low110 Ų110127.2 Ų127.277%0.76981%0.809SS**  trans-100.4-164.8178.5-50.90000113.4
116D27.6Very low29.9Very low153 Ų153126 Ų12682%0.81880%0.8SS**  trans88.5146.2165.5-81.1-20000118.9
117S28.8Very low30.4Very low109 Ų109127.5 Ų127.576%0.76280%0.799SS**  cis-164.2-176.8-23.3-118.70000108.5
118G27.5Very low30.5Very low75 Ų75128.9 Ų128.977%0.77380%0.799SS**  trans-96.1178.9-167.100000119.5
119N30.4Very low30.8Very low161 Ų161126.3 Ų126.386%0.86180%0.797SS**  trans99.5159.4148.4-117.3-6.1000123.2
120N34.3Very low30.8Very low159 Ų159125.9 Ų125.985%0.8579%0.79SS**  trans-73.8164.4-165.1-56.4-52000118.1
121G28Very low31Very low76 Ų76127.2 Ų127.278%0.78479%0.789SS**  trans166157.4158.300000117.5
122L33.4Very low31Very low172 Ų172124 Ų12490%0.90178%0.781SS**  trans-113152.9-177.2-75.2106.5000115.7
123S33.3Very low31.2Very low106 Ų106126.3 Ų126.374%0.74179%0.785SS**  trans62.6118.6146.157.70000123.5
124S31.5Very low31.2Very low116 Ų116124.4 Ų124.481%0.81179%0.785SS**  163.5120.1107.551.50000118.1
125V35.4Very low31Very low137 Ų137122.7 Ų122.783%0.8379%0.785SS**  trans44.3139140-157.90000125.7
126S34.2Very low31Very low100 Ų100122.1 Ų122.170%0.69978%0.78SS**  trans94.487.2148.836.20000125.1
127S36.9Very low31.1Very low109 Ų109121.2 Ų121.276%0.76278%0.781SS**  71.5137.7112.770.20000126.3
128I33.6Very low31.2Very low175 Ų175120.3 Ų120.390%0.89778%0.78SS**  trans105.9122.3156.2-62.1176.1000117.4
129G30.3Very low31.6Very low65 Ų65125.3 Ų125.367%0.6778%0.777SS**  trans128.280.8153.300000118.7
130Q32.9Very low32.3Very low173 Ų173124.1 Ų124.181%0.80877%0.766SS**  trans17.7150138-64.6-177.2-91.200120.9
131D28.8Very low33.4Very low125 Ų125121.1 Ų121.167%0.66875%0.75SS**  cis-168.6131-4.5-93.9-25000105
132S31.1Very low35.4Very low102 Ų102120.2 Ų120.271%0.71372%0.723SS**  147.1165.282.748.30000110
133N29.2Very low37Very low146 Ų146115.8 Ų115.878%0.78170%0.699SS**  trans66.687.5170.8-64.6-18.1000117
134S27.9Very low38.9Very low109 Ų109111.6 Ų111.676%0.76267%0.668SS**  cis90.292.647.4-54.30000115.6
135A26.1Very low40.9Very low99 Ų99109.2 Ų109.282%0.81865%0.649SS**  trans60.8104.1138.200000121.8
136S29.6Very low42.5Very low97 Ų97108 Ų10868%0.67865%0.646SS**  trans-169.330.713253.80000116
137T29.9Very low44.4Very low134 Ų134108.5 Ų108.582%0.82265%0.646SS**THydrogen-bonded Turntrans-95.75.1-166.6-24.50000116.5
138A31.8Very low46.5Very low90 Ų90105.3 Ų105.374%0.74462%0.62SS**THydrogen-bonded Turntrans-94.70.4-178.900000114.7
139Y35Very low48.9Very low181 Ų181102 Ų10271%0.7160%0.596SS**SBendtrans-107.9-13.8-172.9-91.6-86.7000115.4D141Y139-D141 VanDerWaalsContact C-N 3.3Å; Y139-D141 PolarHBondContact O-N 2.82Å
140Q46.1Very low51.3Low135 Ų135102.7 Ų102.763%0.63159%0.589SS**G310 helixtrans-69.4-22.1-178.9-101.475.11000114.7W142Q140-W142 VanDerWaalsContact C-N 3.31Å; Q140-W142 PolarHBondContact O-N 2.92Å
141D56.6Low53.9Low96 Ų96102.5 Ų102.551%0.51358%0.581SS.*G310 helixtrans-82.1-5.7-160.8-15330.4000114.9Y139 K215Y139-D141 VanDerWaalsContact C-N 3.3Å; Y139-D141 PolarHBondContact O-N 2.82Å; D141-K215 WeakPolarHBondContact O-CE 3.28Å; D141-K215 PolarHBondContact O-NZ 2.87Å; D141-K215 IonicContact OD1-NZ 3.72Å; D141-K215 PolarHBondContact OD1-NZ 3.05Å; D141-K215 IonicContact OD2-NZ 2.62Å; D141-K215 PolarHBondContact OD2-NZ 3.19Å
142W70.1Confident56.9Low58 Ų5896.7 Ų96.722%0.2255%0.55CS..G310 helixtrans-12647-179.2-65.997.9000112.4Q140 F211 L212 K215 P223 P227 G229 L230Q140-W142 VanDerWaalsContact C-N 3.31Å; Q140-W142 PolarHBondContact O-N 2.92Å; W142-F211 HydrophobicContact CE3-CE1 4.07Å; W142-L212 HydrophobicContact CZ3-CD2 4.14Å; W142-K215 HydrophobicContact CZ3-CB 4.48Å; W142-K215 HydrophobicContact CZ3-CG 4.26Å; W142-P223 HydrophobicContact CH2-CG 4.02Å; W142-P223 HydrophobicContact CZ3-CG 4.02Å; W142-P227 HydrophobicContact CB-CB 3.88Å; W142-P227 HydrophobicContact CB-CG 4.19Å; W142-P227 HydrophobicContact CD2-CB 4.45Å; W142-P227 HydrophobicContact CD2-CG 3.79Å; W142-P227 HydrophobicContact CE3-CG 3.94Å; W142-P227 HydrophobicContact CG-CB 4.03Å; W142-P227 HydrophobicContact CG-CG 3.88Å; W142-G229 CarbonylContact O-C 3.5Å; W142-L230 HydrophobicContact CE3-CD1 4.3Å
143I67.2Low59.7Low78 Ų7896.7 Ų96.740%0.453%0.534SS..  trans-130.1130.3-179.1-50.7178000110T145 F211I143-T145 PolarHBondContact O-N 3.42Å; I143-F211 WeakPolarHBondContact O-CE2 3.07Å
144I72.7Confident62.4Low19 Ų1995 Ų9510%0.09752%0.524CS..  trans-71.8109.7170.5-60.8172.5000108.5N148 R149 Y152 C207 F211 L230I144-N148 HydrophobicContact CG2-CB 4.46Å; I144-R149 HydrophobicContact CG2-CB 3.91Å; I144-R149 HydrophobicContact CG2-CG 4.16Å; I144-Y152 HydrophobicContact CG2-CD2 4.19Å; I144-Y152 HydrophobicContact CG2-CE2 3.92Å; I144-C207 HydrophobicContact CD1-CB 4.06Å; I144-C207 WeakPolarHBondContact CD1-O 3.07Å; I144-F211 HydrophobicContact CB-CD2 4.47Å; I144-F211 HydrophobicContact CD1-CB 4.09Å; I144-F211 HydrophobicContact CD1-CG 4.45Å; I144-F211 HydrophobicContact CG1-CB 3.86Å; I144-F211 HydrophobicContact CG1-CD1 4.42Å; I144-F211 HydrophobicContact CG1-CD2 3.7Å; I144-F211 HydrophobicContact CG1-CE2 4.35Å; I144-F211 HydrophobicContact CG1-CG 3.73Å; I144-L230 HydrophobicContact CD1-CD2 4.05Å; I144-L230 HydrophobicContact CG1-CD2 3.74Å
145T73.5Confident65.3Low65 Ų6591.8 Ų91.840%0.39950%0.499SS..  trans-60.8151.7178.759.70000112.1I143 T147 N148 R149I143-T145 PolarHBondContact O-N 3.42Å; T145-T147 PolarHBondContact O-N 3.01Å; T145-T147 VanDerWaalsContact O-N 3.16Å; T145-N148 PolarHBondContact O-N 3.24Å; T145-N148 WeakPolarHBondContact OG1-CB 3.23Å; T145-N148 PolarHBondContact OG1-N 3.21Å; T145-N148 PolarHBondContact OG1-OD1 2.81Å; T145-N148 VanDerWaalsContact OG1-OD1 3.11Å; T145-R149 PolarHBondContact O-N 2.87Å; T145-R149 VanDerWaalsContact O-N 3.1Å
146S68.6Low68.4Low111 Ų11187.3 Ų87.378%0.77646%0.461SS*.THydrogen-bonded Turntrans-58.3-23.8173.8370000113.1P150S146-P150 WeakPolarHBondContact O-CD 3.4Å
147T73.9Confident71.2Confident112 Ų11287.9 Ų87.969%0.68746%0.456SS*.THydrogen-bonded Turntrans-74.8-37.3173.4-28.70000113.2T145T145-T147 PolarHBondContact O-N 3.01Å; T145-T147 VanDerWaalsContact O-N 3.16Å
148N81.2Confident73.8Confident42 Ų4287.4 Ų87.423%0.22544%0.444CS..Hα-helixtrans-86.9-33.2-174-70.125.6000112.5I144 T145 R151 Y152 E214I144-N148 HydrophobicContact CG2-CB 4.46Å; T145-N148 PolarHBondContact O-N 3.24Å; T145-N148 WeakPolarHBondContact OG1-CB 3.23Å; T145-N148 PolarHBondContact OG1-N 3.21Å; T145-N148 PolarHBondContact OG1-OD1 2.81Å; T145-N148 VanDerWaalsContact OG1-OD1 3.11Å; N148-R151 WeakPolarHBondContact O-CB 3.22Å; N148-R151 PolarHBondContact O-N 3.42Å; N148-R151 VanDerWaalsContact O-N 3.08Å; N148-Y152 HydrophobicContact CB-CE1 4.22Å; N148-Y152 HydrophobicContact CB-CE2 4.06Å; N148-Y152 PolarHBondContact ND2-OH 3.22Å; N148-Y152 VanDerWaalsContact ND2-OH 3.14Å; N148-Y152 PolarHBondContact O-N 2.82Å; N148-Y152 VanDerWaalsContact O-N 3.16Å; N148-E214 PolarHBondContact ND2-OE2 3.35Å
149R83.7Confident76.4Confident104 Ų10486 Ų8639%0.39242%0.422SS..Hα-helixtrans-54.9-43-178-152.8179.4-162.6128.43.2114.5I144 T145 R151 Y152 R153 D204I144-R149 HydrophobicContact CG2-CB 3.91Å; I144-R149 HydrophobicContact CG2-CG 4.16Å; T145-R149 PolarHBondContact O-N 2.87Å; T145-R149 VanDerWaalsContact O-N 3.1Å; R149-R151 VanDerWaalsContact C-N 3.32Å; R149-R151 PolarHBondContact O-N 3.17Å; R149-Y152 PolarHBondContact O-N 2.84Å; R149-R153 WeakPolarHBondContact O-CG 3.36Å; R149-R153 PolarHBondContact O-N 3.25Å; R149-R153 VanDerWaalsContact O-N 3.1Å; R149-D204 IonicContact NE-OD1 2.67Å; R149-D204 IonicContact NH2-OD1 3.16Å; R149-D204 PolarHBondContact NH2-OD1 2.93Å
150P80.5Confident79Confident81 Ų8178.1 Ų78.153%0.52639%0.392SS..Hα-helixtrans-63.2-37.6176.6-21.533.7000112.6S146 R153 L154S146-P150 WeakPolarHBondContact O-CD 3.4Å; P150-R153 PolarHBondContact O-N 3.09Å; P150-L154 WeakPolarHBondContact O-CB 3.46Å; P150-L154 PolarHBondContact O-N 3.47Å
151R88.3Confident80.6Confident168 Ų16881.2 Ų81.263%0.63440%0.398SS*.Hα-helixtrans-64.2-44.2179.2-170.6-177.5-179.4-164.10.4111.4N148 R149 L154 L155 E214N148-R151 WeakPolarHBondContact O-CB 3.22Å; N148-R151 PolarHBondContact O-N 3.42Å; N148-R151 VanDerWaalsContact O-N 3.08Å; R149-R151 VanDerWaalsContact C-N 3.32Å; R149-R151 PolarHBondContact O-N 3.17Å; R151-L154 PolarHBondContact O-N 3.29Å; R151-L155 PolarHBondContact O-N 3.09Å; R151-E214 IonicContact NH1-OE1 3.47Å
152Y92.4Very high81.7Confident4 Ų481.7 Ų81.72%0.01640%0.401CS..Hα-helixtrans-69.3-39.1177.7-53.4-19.2000112.1I144 N148 R149 L154 L155 F156 C207 I210 F211 E214I144-Y152 HydrophobicContact CG2-CD2 4.19Å; I144-Y152 HydrophobicContact CG2-CE2 3.92Å; N148-Y152 HydrophobicContact CB-CE1 4.22Å; N148-Y152 HydrophobicContact CB-CE2 4.06Å; N148-Y152 PolarHBondContact ND2-OH 3.22Å; N148-Y152 VanDerWaalsContact ND2-OH 3.14Å; N148-Y152 PolarHBondContact O-N 2.82Å; N148-Y152 VanDerWaalsContact O-N 3.16Å; R149-Y152 PolarHBondContact O-N 2.84Å; Y152-L154 VanDerWaalsContact C-N 3.34Å; Y152-L154 PolarHBondContact O-N 3.41Å; Y152-L155 WeakPolarHBondContact O-CB 3.25Å; Y152-L155 PolarHBondContact O-N 3.13Å; Y152-F156 PolarHBondContact O-N 3.13Å; Y152-C207 HydrophobicContact CD2-CB 4.15Å; Y152-I210 HydrophobicContact CD1-CB 4.2Å; Y152-I210 HydrophobicContact CD1-CG2 3.52Å; Y152-I210 HydrophobicContact CE1-CB 4.47Å; Y152-I210 HydrophobicContact CE1-CG2 3.55Å; Y152-I210 HydrophobicContact CG-CB 4.25Å; Y152-I210 HydrophobicContact CG-CG2 4.08Å; Y152-F211 HydrophobicContact CE2-CB 4.05Å; Y152-E214 PolarHBondContact OH-OE2 3.2Å
153R90.2Very high82.2Confident101 Ų10188.2 Ų88.238%0.38143%0.431SS..Hα-helixtrans-64.4-36.3174.7-72-161.7166.2-156.4-5.4112.8R149 P150 L155 F156 N157 D204R149-R153 WeakPolarHBondContact O-CG 3.36Å; R149-R153 PolarHBondContact O-N 3.25Å; R149-R153 VanDerWaalsContact O-N 3.1Å; P150-R153 PolarHBondContact O-N 3.09Å; R153-L155 VanDerWaalsContact C-N 3.35Å; R153-F156 PolarHBondContact O-N 3.13Å; R153-N157 WeakPolarHBondContact O-CB 3.44Å; R153-N157 VanDerWaalsContact O-CG 3.23Å; R153-N157 PolarHBondContact O-N 3.11Å; R153-N157 PolarHBondContact O-ND2 3.43Å; R153-D204 IonicContact CZ-OD1 3.57Å; R153-D204 IonicContact NE-OD1 3.6Å; R153-D204 VanDerWaalsContact NH2-CG 3.28Å; R153-D204 IonicContact NH2-OD1 2.76Å; R153-D204 PolarHBondContact NH2-OD1 3.49Å; R153-D204 IonicContact NH2-OD2 3.72Å; R153-D204 PolarHBondContact NH2-OD2 3.07Å
154L85.3Confident83Confident110 Ų11089.5 Ų89.558%0.57643%0.431SS*.Hα-helixtrans-63.1-42.1173.2-176.363.9000111.6P150 R151 Y152 N157 Q158P150-L154 WeakPolarHBondContact O-CB 3.46Å; P150-L154 PolarHBondContact O-N 3.47Å; R151-L154 PolarHBondContact O-N 3.29Å; Y152-L154 VanDerWaalsContact C-N 3.34Å; Y152-L154 PolarHBondContact O-N 3.41Å; L154-N157 PolarHBondContact O-N 2.78Å; L154-Q158 PolarHBondContact O-N 3.47Å
155L89Confident83.6Confident43 Ų4390.6 Ų90.623%0.22545%0.447CS..Hα-helixtrans-65.7-37.9178.4-159.578000112.3R151 Y152 R153 H159 Y179 F206 I210R151-L155 PolarHBondContact O-N 3.09Å; Y152-L155 WeakPolarHBondContact O-CB 3.25Å; Y152-L155 PolarHBondContact O-N 3.13Å; R153-L155 VanDerWaalsContact C-N 3.35Å; L155-H159 PolarHBondContact O-ND1 3.1Å; L155-Y179 WeakPolarHBondContact CD2-OH 3.44Å; L155-F206 HydrophobicContact CB-CE1 4.13Å; L155-F206 HydrophobicContact CB-CZ 4.5Å; L155-F206 HydrophobicContact CD2-CE1 4.15Å; L155-F206 HydrophobicContact CD2-CZ 3.99Å; L155-F206 HydrophobicContact CG-CE1 4.41Å; L155-F206 HydrophobicContact CG-CZ 4.31Å; L155-I210 HydrophobicContact CD2-CD1 4.06Å; L155-I210 HydrophobicContact CD2-CG1 4.39Å
156F91.7Very high84.4Confident5 Ų591 Ų912%0.02244%0.443CS..Hα-helixtrans-61.1-50.8170.4177.7-93.2000111.5Y152 R153 Q158 H159 D160 L167 C203 F206Y152-F156 PolarHBondContact O-N 3.13Å; R153-F156 PolarHBondContact O-N 3.13Å; F156-Q158 VanDerWaalsContact C-N 3.25Å; F156-Q158 PolarHBondContact O-N 2.65Å; F156-H159 PolarHBondContact O-N 3.17Å; F156-D160 HydrophobicContact CE1-CB 4.28Å; F156-D160 HydrophobicContact CZ-CB 4.49Å; F156-D160 PolarHBondContact O-N 3.41Å; F156-L167 HydrophobicContact CD2-CD1 3.68Å; F156-L167 HydrophobicContact CD2-CG 4.08Å; F156-L167 HydrophobicContact CE2-CD1 3.94Å; F156-L167 HydrophobicContact CE2-CG 3.83Å; F156-C203 HydrophobicContact CD1-CB 3.95Å; F156-C203 HydrophobicContact CD2-CB 4.48Å; F156-C203 HydrophobicContact CE1-CB 3.82Å; F156-C203 HydrophobicContact CE2-CB 4.35Å; F156-C203 HydrophobicContact CG-CB 4.29Å; F156-C203 HydrophobicContact CZ-CB 4.03Å; F156-F206 HydrophobicContact CB-CD1 3.72Å; F156-F206 HydrophobicContact CB-CE1 3.99Å; F156-F206 HydrophobicContact CB-CG 4.3Å; F156-F206 HydrophobicContact CD2-CB 3.79Å; F156-F206 HydrophobicContact CD2-CD1 4.15Å; F156-F206 HydrophobicContact CD2-CD2 4.37Å; F156-F206 AromaticContact CD2-CG 3.85Å; F156-F206 HydrophobicContact CD2-CG 3.85Å; F156-F206 HydrophobicContact CE2-CB 4.44Å; F156-F206 HydrophobicContact CG-CD1 4.43Å
157N86.7Confident85.4Confident109 Ų10985.7 Ų85.758%0.58341%0.406SS*.Hα-helixtrans-62.9-27.5-179.3-71.6-22000113.6R153 L154 H159R153-N157 WeakPolarHBondContact O-CB 3.44Å; R153-N157 VanDerWaalsContact O-CG 3.23Å; R153-N157 PolarHBondContact O-N 3.11Å; R153-N157 PolarHBondContact O-ND2 3.43Å; L154-N157 PolarHBondContact O-N 2.78Å; N157-H159 VanDerWaalsContact C-N 3.31Å
158Q85.9Confident86.1Confident123 Ų12382.2 Ų82.258%0.57539%0.385SS*.Hα-helixtrans-67.6-29.6172.4-90.3-177.8-32.200113.3L154 F156L154-Q158 PolarHBondContact O-N 3.47Å; F156-Q158 VanDerWaalsContact C-N 3.25Å; F156-Q158 PolarHBondContact O-N 2.65Å
159H85.4Confident86.3Confident61 Ų6181.6 Ų81.628%0.28239%0.388SS..Hα-helixtrans-102.1-24.1-173.2-68.387.3000113.5L155 F156 N157 R161 L167 I175L155-H159 PolarHBondContact O-ND1 3.1Å; F156-H159 PolarHBondContact O-N 3.17Å; N157-H159 VanDerWaalsContact C-N 3.31Å; H159-R161 PolarHBondContact O-N 2.95Å; H159-L167 HydrophobicContact CB-CD1 4.45Å; H159-L167 HydrophobicContact CB-CD2 3.89Å; H159-I175 HydrophobicContact CB-CD1 3.54Å; H159-I175 HydrophobicContact CB-CG1 4.47Å
160D89.2Confident86.4Confident15 Ų1582.4 Ų82.48%0.0841%0.405CS..  trans-74.965167.6-174.112.8000111.6F156 N162 K163 R164 G165F156-D160 HydrophobicContact CE1-CB 4.28Å; F156-D160 HydrophobicContact CZ-CB 4.49Å; F156-D160 PolarHBondContact O-N 3.41Å; D160-N162 PolarHBondContact O-N 3.05Å; D160-K163 PolarHBondContact O-N 3.27Å; D160-K163 VanDerWaalsContact O-N 3.11Å; D160-K163 WeakPolarHBondContact OD1-CA 3.38Å; D160-K163 PolarHBondContact OD1-N 2.92Å; D160-K163 VanDerWaalsContact OD2-C 3.28Å; D160-K163 VanDerWaalsContact OD2-CA 3.28Å; D160-K163 WeakPolarHBondContact OD2-CA 3.19Å; D160-R164 VanDerWaalsContact CG-N 3.27Å; D160-R164 PolarHBondContact OD1-N 3.32Å; D160-R164 PolarHBondContact OD2-N 3.39Å; D160-G165 PolarHBondContact OD2-N 3.4Å
161R79.7Confident86.8Confident201 Ų20180.9 Ų80.976%0.75839%0.391SS*.THydrogen-bonded Turntrans-55.3-22.1179.8-72-176.3169-163.3-6.6113.4H159H159-R161 PolarHBondContact O-N 2.95Å
162N80.1Confident86.8Confident106 Ų10672.9 Ų72.957%0.56736%0.36SS*.THydrogen-bonded Turntrans-105.2-0.4-174-66.53.7000113.3D160 R164D160-N162 PolarHBondContact O-N 3.05Å; N162-R164 VanDerWaalsContact C-N 3.28Å; N162-R164 HydrophobicContact CB-CG 3.94Å; N162-R164 PolarHBondContact ND2-NH2 2.87Å; N162-R164 PolarHBondContact O-N 3.06Å
163K80Confident86.5Confident195 Ų19580 Ų8085%0.84839%0.387SS*.  trans53.540.7-174.4-56.6-172.3178-172.40113.3D160 G165D160-K163 PolarHBondContact O-N 3.27Å; D160-K163 VanDerWaalsContact O-N 3.11Å; D160-K163 WeakPolarHBondContact OD1-CA 3.38Å; D160-K163 PolarHBondContact OD1-N 2.92Å; D160-K163 VanDerWaalsContact OD2-C 3.28Å; D160-K163 VanDerWaalsContact OD2-CA 3.28Å; D160-K163 WeakPolarHBondContact OD2-CA 3.19Å; K163-G165 VanDerWaalsContact C-N 3.35Å
164R85.4Confident86.2Confident104 Ų10479 Ų7939%0.39240%0.396SS..  trans-75-20.8178.9-75.9-173.6-81.4-148.9-1.4113.6D160 N162 F166 E171D160-R164 VanDerWaalsContact CG-N 3.27Å; D160-R164 PolarHBondContact OD1-N 3.32Å; D160-R164 PolarHBondContact OD2-N 3.39Å; N162-R164 VanDerWaalsContact C-N 3.28Å; N162-R164 HydrophobicContact CB-CG 3.94Å; N162-R164 PolarHBondContact ND2-NH2 2.87Å; N162-R164 PolarHBondContact O-N 3.06Å; R164-F166 HydrophobicContact CB-CD1 4.06Å; R164-F166 HydrophobicContact CB-CE1 3.88Å; R164-F166 HydrophobicContact CB-CZ 4.18Å; R164-F166 VanDerWaalsContact O-CD1 3.3Å; R164-F166 WeakPolarHBondContact O-CD1 3.21Å; R164-F166 PolarHBondContact O-N 2.75Å; R164-E171 IonicContact CZ-OE1 3.73Å; R164-E171 IonicContact NH2-OE1 3.94Å; R164-E171 PolarHBondContact NH2-OE1 3.27Å; R164-E171 IonicContact NH2-OE2 2.65Å
165G84.1Confident86.3Confident43 Ų4374 Ų7444%0.44337%0.37SS..SBendtrans79.43.5-173.800000114.3D160 K163D160-G165 PolarHBondContact OD2-N 3.4Å; K163-G165 VanDerWaalsContact C-N 3.35Å
166F90.1Very high86.3Confident73 Ų7372.3 Ų72.332%0.3236%0.36SS..EExtended strand (participates in β ladder)trans-150.3154.5175.363.4-92.3000111.3R164 T168 N200 L201R164-F166 HydrophobicContact CB-CD1 4.06Å; R164-F166 HydrophobicContact CB-CE1 3.88Å; R164-F166 HydrophobicContact CB-CZ 4.18Å; R164-F166 VanDerWaalsContact O-CD1 3.3Å; R164-F166 WeakPolarHBondContact O-CD1 3.21Å; R164-F166 PolarHBondContact O-N 2.75Å; F166-T168 HydrophobicContact CD2-CG2 4.49Å; F166-T168 HydrophobicContact CE2-CG2 4.11Å; F166-N200 HydrophobicContact CB-CB 4.21Å; F166-N200 HydrophobicContact CD2-CB 3.73Å; F166-N200 HydrophobicContact CE2-CB 4.5Å; F166-N200 HydrophobicContact CG-CB 4.24Å; F166-L201 WeakPolarHBondContact CA-O 3.21Å
167L89.9Confident86Confident0 Ų075.4 Ų75.40%038%0.383CS..EExtended strand (participates in β ladder)trans-105.5130.6170.2-68.6167.3000109.4F156 H159 E171 A172 I175 N200 L201 F206F156-L167 HydrophobicContact CD2-CD1 3.68Å; F156-L167 HydrophobicContact CD2-CG 4.08Å; F156-L167 HydrophobicContact CE2-CD1 3.94Å; F156-L167 HydrophobicContact CE2-CG 3.83Å; H159-L167 HydrophobicContact CB-CD1 4.45Å; H159-L167 HydrophobicContact CB-CD2 3.89Å; L167-E171 HydrophobicContact CB-CB 4.42Å; L167-E171 HydrophobicContact CD2-CB 4.13Å; L167-A172 HydrophobicContact CB-CB 4.21Å; L167-I175 HydrophobicContact CD1-CD1 3.84Å; L167-N200 CarbonylContact O-C 3.57Å; L167-N200 VanDerWaalsContact O-CA 3.23Å; L167-N200 WeakPolarHBondContact O-CA 3.41Å; L167-L201 PolarHBondContact N-O 2.83Å; L167-L201 PolarHBondContact O-N 2.63Å; L167-F206 HydrophobicContact CD1-CD2 3.57Å; L167-F206 HydrophobicContact CD1-CE2 3.69Å; L167-F206 HydrophobicContact CD1-CG 4.33Å
168T89.9Confident86Confident38 Ų3876.8 Ų76.823%0.23339%0.386CS..EExtended strand (participates in β ladder)trans-69.2160175.760.50000112.3F166 V170 E171 A172 N200F166-T168 HydrophobicContact CD2-CG2 4.49Å; F166-T168 HydrophobicContact CE2-CG2 4.11Å; T168-V170 PolarHBondContact O-N 3.04Å; T168-E171 WeakPolarHBondContact CB-OE2 2.87Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.21Å; T168-E171 PolarHBondContact N-OE2 2.94Å; T168-E171 PolarHBondContact O-N 2.94Å; T168-E171 VanDerWaalsContact OG1-CD 3.32Å; T168-E171 WeakPolarHBondContact OG1-CG 3.47Å; T168-E171 PolarHBondContact OG1-N 3.36Å; T168-E171 PolarHBondContact OG1-OE2 3.29Å; T168-A172 PolarHBondContact O-N 2.95Å; T168-N200 WeakPolarHBondContact CA-OD1 3.41Å
169G85.3Confident86Confident29 Ų2974.4 Ų74.430%0.29937%0.372SS..Hα-helixtrans-46.1-35.8172.900000115R173 G199G169-R173 WeakPolarHBondContact O-CB 3.43Å; G169-R173 PolarHBondContact O-N 3.46Å; G169-G199 PolarHBondContact N-O 2.79Å; G169-G199 VanDerWaalsContact N-O 3.09Å
170V86.3Confident85.9Confident121 Ų12175 Ų7573%0.73339%0.394SS*.Hα-helixtrans-75-46.7178-177.30000111.7T168 S174T168-V170 PolarHBondContact O-N 3.04Å; V170-S174 PolarHBondContact O-N 3.04Å
171E88.4Confident85.7Confident50 Ų5075.6 Ų75.623%0.23440%0.398CS..Hα-helixtrans-63.6-48.4-180-69.7164.1130.300111.2R164 L167 T168 R173 S174 I175R164-E171 IonicContact CZ-OE1 3.73Å; R164-E171 IonicContact NH2-OE1 3.94Å; R164-E171 PolarHBondContact NH2-OE1 3.27Å; R164-E171 IonicContact NH2-OE2 2.65Å; L167-E171 HydrophobicContact CB-CB 4.42Å; L167-E171 HydrophobicContact CD2-CB 4.13Å; T168-E171 WeakPolarHBondContact CB-OE2 2.87Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.21Å; T168-E171 PolarHBondContact N-OE2 2.94Å; T168-E171 PolarHBondContact O-N 2.94Å; T168-E171 VanDerWaalsContact OG1-CD 3.32Å; T168-E171 WeakPolarHBondContact OG1-CG 3.47Å; T168-E171 PolarHBondContact OG1-N 3.36Å; T168-E171 PolarHBondContact OG1-OE2 3.29Å; E171-R173 PolarHBondContact O-N 2.88Å; E171-S174 WeakPolarHBondContact O-CB 3.38Å; E171-S174 PolarHBondContact O-N 3.36Å; E171-I175 WeakPolarHBondContact O-CG1 3.39Å
172A87.5Confident86Confident0 Ų069.5 Ų69.50%038%0.384CS..Hα-helixtrans-65.8-39.2179.600000112.5L167 T168 S174 I175 L176 W190 L201L167-A172 HydrophobicContact CB-CB 4.21Å; T168-A172 PolarHBondContact O-N 2.95Å; A172-S174 PolarHBondContact O-N 3.43Å; A172-I175 PolarHBondContact O-N 3.16Å; A172-L176 VanDerWaalsContact O-CG 3.3Å; A172-L176 WeakPolarHBondContact O-CG 3.45Å; A172-L176 PolarHBondContact O-N 2.94Å; A172-W190 HydrophobicContact CB-CH2 3.76Å; A172-W190 HydrophobicContact CB-CZ3 3.56Å; A172-L201 HydrophobicContact CB-CD1 3.9Å
173R85.8Confident86.2Confident154 Ų15469 Ų6958%0.58138%0.382SS*.Hα-helixtrans-60.3-35.3175.7-169.9175.5-166.8-134.8-0.4112.3G169 E171 I175 S177 N183G169-R173 WeakPolarHBondContact O-CB 3.43Å; G169-R173 PolarHBondContact O-N 3.46Å; E171-R173 PolarHBondContact O-N 2.88Å; R173-I175 PolarHBondContact O-N 2.78Å; R173-S177 VanDerWaalsContact O-CB 3.29Å; R173-S177 WeakPolarHBondContact O-CB 3.41Å; R173-S177 PolarHBondContact O-N 3.32Å; R173-N183 PolarHBondContact NH2-OD1 3.14Å
174S83.9Confident86.5Confident80 Ų8064.5 Ų64.556%0.55937%0.372SS*.Hα-helixtrans-67.7-19.1175.9-167.70000114.2V170 E171 A172 Q178V170-S174 PolarHBondContact O-N 3.04Å; E171-S174 WeakPolarHBondContact O-CB 3.38Å; E171-S174 PolarHBondContact O-N 3.36Å; A172-S174 PolarHBondContact O-N 3.43Å; S174-Q178 PolarHBondContact O-NE2 3.11Å
175I88.7Confident86.5Confident5 Ų562.5 Ų62.53%0.02637%0.368CS..Hα-helixtrans-93.1-53.2178.3-57.5162.8000109.4H159 L167 E171 A172 R173 S177 Q178 F206H159-I175 HydrophobicContact CB-CD1 3.54Å; H159-I175 HydrophobicContact CB-CG1 4.47Å; L167-I175 HydrophobicContact CD1-CD1 3.84Å; E171-I175 WeakPolarHBondContact O-CG1 3.39Å; A172-I175 PolarHBondContact O-N 3.16Å; R173-I175 PolarHBondContact O-N 2.78Å; I175-S177 PolarHBondContact O-N 2.61Å; I175-Q178 WeakPolarHBondContact O-CB 3.27Å; I175-Q178 PolarHBondContact O-N 2.85Å; I175-F206 HydrophobicContact CD1-CE2 3.96Å; I175-F206 HydrophobicContact CD1-CZ 4.43Å; I175-F206 HydrophobicContact CG2-CE2 4.18Å; I175-F206 HydrophobicContact CG2-CZ 4.1Å
176L88Confident86.8Confident6 Ų661.2 Ų61.23%0.03135%0.351CS..Hα-helixtrans-60.7-31.9-176.3-59.5168.9000111.8A172 Q178 Y179 L186 W190 L201 A209 I210 I213A172-L176 VanDerWaalsContact O-CG 3.3Å; A172-L176 WeakPolarHBondContact O-CG 3.45Å; A172-L176 PolarHBondContact O-N 2.94Å; L176-Q178 VanDerWaalsContact C-N 3.26Å; L176-Q178 PolarHBondContact O-N 2.88Å; L176-Y179 PolarHBondContact O-N 2.84Å; L176-L186 HydrophobicContact CB-CD2 4.15Å; L176-W190 HydrophobicContact CD1-CE3 3.94Å; L176-W190 HydrophobicContact CD1-CZ3 4.06Å; L176-L201 HydrophobicContact CD1-CD1 4.44Å; L176-A209 HydrophobicContact CD2-CB 4.02Å; L176-I210 HydrophobicContact CD2-CD1 4.14Å; L176-I213 HydrophobicContact CB-CD1 4.08Å; L176-I213 HydrophobicContact CD2-CD1 3.47Å; L176-I213 VanDerWaalsContact CD2-CD1 3.47Å; L176-I213 HydrophobicContact CG-CD1 4.36Å
177S86.4Confident86.7Confident70 Ų7060.2 Ų60.249%0.4936%0.357SS..G310 helixtrans-71.8-11.5177.7-164.40000114.9R173 I175 Y179R173-S177 VanDerWaalsContact O-CB 3.29Å; R173-S177 WeakPolarHBondContact O-CB 3.41Å; R173-S177 PolarHBondContact O-N 3.32Å; I175-S177 PolarHBondContact O-N 2.61Å; S177-Y179 PolarHBondContact O-N 2.79Å
178Q85.5Confident86.6Confident138 Ų13863.2 Ų63.265%0.64537%0.37SS*.G310 helixtrans-75-16.2177.3-61.3177.423.400112.6S174 I175 L176 G180S174-Q178 PolarHBondContact O-NE2 3.11Å; I175-Q178 WeakPolarHBondContact O-CB 3.27Å; I175-Q178 PolarHBondContact O-N 2.85Å; L176-Q178 VanDerWaalsContact C-N 3.26Å; L176-Q178 PolarHBondContact O-N 2.88Å; Q178-G180 VanDerWaalsContact C-N 3.3Å; Q178-G180 PolarHBondContact O-N 2.85Å
179Y87.2Confident86.6Confident74 Ų7461.4 Ų61.429%0.2936%0.359SS..G310 helixtrans-85.87.2-177-70.8-90.9000114.2L155 L176 S177 L181 I210 I213 I217L155-Y179 WeakPolarHBondContact CD2-OH 3.44Å; L176-Y179 PolarHBondContact O-N 2.84Å; S177-Y179 PolarHBondContact O-N 2.79Å; Y179-L181 PolarHBondContact O-N 3.21Å; Y179-L181 VanDerWaalsContact O-N 3.17Å; Y179-I210 HydrophobicContact CE2-CD1 3.96Å; Y179-I213 HydrophobicContact CD1-CG2 3.59Å; Y179-I213 HydrophobicContact CD2-CD1 4.11Å; Y179-I213 HydrophobicContact CD2-CG2 4.32Å; Y179-I213 HydrophobicContact CE1-CG2 4.27Å; Y179-I213 HydrophobicContact CG-CD1 4.31Å; Y179-I213 HydrophobicContact CG-CG2 3.61Å; Y179-I217 HydrophobicContact CD1-CD1 4.04Å
180G82.1Confident86.8Confident73 Ų7362.2 Ų62.275%0.75335%0.353SS*.  trans72.73.4171.600000116.6Q178Q178-G180 VanDerWaalsContact C-N 3.3Å; Q178-G180 PolarHBondContact O-N 2.85Å
181L86.5Confident86.8Confident28 Ų2862.5 Ų62.515%0.14735%0.351CS..  trans-75.6142.7179.6-70.1170.3000112.4Y179 I185 L186 I189 I213 A216 I217Y179-L181 PolarHBondContact O-N 3.21Å; Y179-L181 VanDerWaalsContact O-N 3.17Å; L181-I185 HydrophobicContact CB-CG2 4.45Å; L181-I185 HydrophobicContact CD1-CG2 4.37Å; L181-I185 HydrophobicContact CD2-CG2 4.36Å; L181-L186 HydrophobicContact CB-CD2 3.91Å; L181-L186 HydrophobicContact CB-CG 4.05Å; L181-L186 HydrophobicContact CD1-CD2 4.32Å; L181-L186 WeakPolarHBondContact O-CD1 3.48Å; L181-I189 HydrophobicContact CD1-CD1 3.97Å; L181-I213 HydrophobicContact CD1-CB 4.24Å; L181-I213 HydrophobicContact CD1-CG1 3.92Å; L181-I213 HydrophobicContact CD1-CG2 4.01Å; L181-A216 HydrophobicContact CD1-CB 4.08Å; L181-A216 HydrophobicContact CD2-CB 4.27Å; L181-I217 HydrophobicContact CD1-CG1 4.49Å; L181-I217 HydrophobicContact CD2-CG1 4.37Å; L181-I217 HydrophobicContact CG-CG1 4.43Å
182P84.7Confident86.8Confident73 Ų7360.9 Ų60.947%0.47434%0.344SS..  trans-56143.6174.7-26.633.8000114.1P184 I185 L186P182-P184 VanDerWaalsContact C-CD 3.41Å; P182-P184 VanDerWaalsContact C-N 3.32Å; P182-P184 VanDerWaalsContact O-N 3.15Å; P182-I185 HydrophobicContact CB-CG1 4.42Å; P182-I185 HydrophobicContact CG-CD1 4.24Å; P182-I185 WeakPolarHBondContact O-CA 3.26Å; P182-I185 WeakPolarHBondContact O-CB 3.46Å; P182-I185 PolarHBondContact O-N 3.42Å; P182-L186 PolarHBondContact O-N 2.92Å
183N84.3Confident86.8Confident96 Ų9660.9 Ų60.951%0.51334%0.344SS..Hα-helixtrans-46.5-42.2176.3-94-56.7000114.8R173 I185 L186 A187R173-N183 PolarHBondContact NH2-OD1 3.14Å; N183-I185 VanDerWaalsContact C-N 3.33Å; N183-I185 PolarHBondContact O-N 3.44Å; N183-L186 PolarHBondContact O-N 3.48Å; N183-A187 WeakPolarHBondContact O-CB 3.46Å; N183-A187 PolarHBondContact O-N 2.93Å
184P86.5Confident87Confident99 Ų9954.5 Ų54.564%0.64332%0.321SS*.Hα-helixtrans-62.3-37.1176.4-24.335.1000113.6P182 A187 H188P182-P184 VanDerWaalsContact C-CD 3.41Å; P182-P184 VanDerWaalsContact C-N 3.32Å; P182-P184 VanDerWaalsContact O-N 3.15Å; P184-A187 PolarHBondContact O-N 2.83Å; P184-H188 PolarHBondContact O-N 2.95Å; P184-H188 VanDerWaalsContact O-N 3.08Å
185I86.7Confident87Confident62 Ų6254.2 Ų54.232%0.31831%0.313SS..Hα-helixtrans-71.9-42.1179.1-63.2-171.1000110.1L181 P182 N183 A187 H188 I189 L222L181-I185 HydrophobicContact CB-CG2 4.45Å; L181-I185 HydrophobicContact CD1-CG2 4.37Å; L181-I185 HydrophobicContact CD2-CG2 4.36Å; P182-I185 HydrophobicContact CB-CG1 4.42Å; P182-I185 HydrophobicContact CG-CD1 4.24Å; P182-I185 WeakPolarHBondContact O-CA 3.26Å; P182-I185 WeakPolarHBondContact O-CB 3.46Å; P182-I185 PolarHBondContact O-N 3.42Å; N183-I185 VanDerWaalsContact C-N 3.33Å; N183-I185 PolarHBondContact O-N 3.44Å; I185-A187 VanDerWaalsContact C-N 3.31Å; I185-A187 PolarHBondContact O-N 3.22Å; I185-H188 PolarHBondContact O-N 3.35Å; I185-I189 HydrophobicContact CG2-CD1 4.09Å; I185-I189 WeakPolarHBondContact O-CG1 3.47Å; I185-I189 PolarHBondContact O-N 3.42Å; I185-L222 HydrophobicContact CG2-CD1 3.58Å
186L89.6Confident86.7Confident17 Ų1757.5 Ų57.59%0.08933%0.33CS..Hα-helixtrans-61.9-37.3174.1-67.2176000112.5L176 L181 P182 N183 I189 W190 I213L176-L186 HydrophobicContact CB-CD2 4.15Å; L181-L186 HydrophobicContact CB-CD2 3.91Å; L181-L186 HydrophobicContact CB-CG 4.05Å; L181-L186 HydrophobicContact CD1-CD2 4.32Å; L181-L186 WeakPolarHBondContact O-CD1 3.48Å; P182-L186 PolarHBondContact O-N 2.92Å; N183-L186 PolarHBondContact O-N 3.48Å; L186-I189 PolarHBondContact O-N 3.01Å; L186-W190 PolarHBondContact O-N 2.78Å; L186-I213 HydrophobicContact CD2-CD1 4.19Å
187A87.7Confident86.5Confident52 Ų5266.1 Ų66.143%0.4337%0.368SS..Hα-helixtrans-67.2-37.4174.100000112.6N183 P184 I185 W190 N191N183-A187 WeakPolarHBondContact O-CB 3.46Å; N183-A187 PolarHBondContact O-N 2.93Å; P184-A187 PolarHBondContact O-N 2.83Å; I185-A187 VanDerWaalsContact C-N 3.31Å; I185-A187 PolarHBondContact O-N 3.22Å; A187-W190 PolarHBondContact O-N 2.77Å; A187-N191 PolarHBondContact O-N 3.4Å; A187-N191 VanDerWaalsContact O-N 3.11Å; A187-N191 PolarHBondContact O-ND2 3.28Å
188H88.4Confident86.5Confident63 Ų6367.1 Ų67.129%0.29237%0.368SS..Hα-helixtrans-64.8-44.4173.4-167.681000111.7P184 I185 W190 N191 L192 P223P184-H188 PolarHBondContact O-N 2.95Å; P184-H188 VanDerWaalsContact O-N 3.08Å; I185-H188 PolarHBondContact O-N 3.35Å; H188-W190 VanDerWaalsContact C-N 3.34Å; H188-W190 PolarHBondContact O-N 2.84Å; H188-N191 PolarHBondContact O-N 3.22Å; H188-L192 WeakPolarHBondContact O-CG 3.37Å; H188-L192 PolarHBondContact O-N 2.72Å; H188-P223 PolarHBondContact NE2-O 2.66Å
189I89.9Confident86.4Confident0 Ų062 Ų620%035%0.351CS..Hα-helixtrans-61.4-41.3175-67.7171.8000111.2L181 I185 L186 L192 A193 A209 L212 I213 A216 L222L181-I189 HydrophobicContact CD1-CD1 3.97Å; I185-I189 HydrophobicContact CG2-CD1 4.09Å; I185-I189 WeakPolarHBondContact O-CG1 3.47Å; I185-I189 PolarHBondContact O-N 3.42Å; L186-I189 PolarHBondContact O-N 3.01Å; I189-L192 PolarHBondContact O-N 3.23Å; I189-A193 WeakPolarHBondContact O-CB 2.98Å; I189-A193 PolarHBondContact O-N 3.24Å; I189-A209 HydrophobicContact CG2-CB 4.42Å; I189-L212 HydrophobicContact CD1-CB 4.49Å; I189-L212 HydrophobicContact CG1-CB 4.15Å; I189-L212 HydrophobicContact CG2-CB 3.89Å; I189-L212 HydrophobicContact CG2-CD1 4.21Å; I189-I213 HydrophobicContact CD1-CG1 3.73Å; I189-I213 HydrophobicContact CG2-CG1 4.4Å; I189-A216 HydrophobicContact CD1-CB 4.49Å; I189-L222 HydrophobicContact CD1-CD1 4.08Å; I189-L222 HydrophobicContact CD1-CD2 4.36Å; I189-L222 HydrophobicContact CG1-CD1 3.79Å; I189-L222 HydrophobicContact CG1-CD2 3.9Å
190W88.8Confident86.5Confident45 Ų4560.4 Ų60.417%0.1735%0.348CS..Hα-helixtrans-57.2-50.7175-171-75.6000111.8A172 L176 L186 A187 H188 L192 A193 D194 L201A172-W190 HydrophobicContact CB-CH2 3.76Å; A172-W190 HydrophobicContact CB-CZ3 3.56Å; L176-W190 HydrophobicContact CD1-CE3 3.94Å; L176-W190 HydrophobicContact CD1-CZ3 4.06Å; L186-W190 PolarHBondContact O-N 2.78Å; A187-W190 PolarHBondContact O-N 2.77Å; H188-W190 VanDerWaalsContact C-N 3.34Å; H188-W190 PolarHBondContact O-N 2.84Å; W190-L192 PolarHBondContact O-N 2.83Å; W190-A193 PolarHBondContact O-N 2.73Å; W190-A193 VanDerWaalsContact O-N 3.07Å; W190-D194 PolarHBondContact NE1-OD2 3.22Å; W190-D194 WeakPolarHBondContact O-CB 3.42Å; W190-D194 PolarHBondContact O-N 2.79Å; W190-L201 HydrophobicContact CE3-CD1 4.16Å; W190-L201 HydrophobicContact CH2-CD1 3.75Å; W190-L201 HydrophobicContact CH2-CG 3.86Å; W190-L201 HydrophobicContact CZ2-CD1 4.39Å; W190-L201 HydrophobicContact CZ2-CG 4.13Å; W190-L201 HydrophobicContact CZ3-CD1 3.66Å; W190-L201 HydrophobicContact CZ3-CG 4.28Å
191N86.8Confident86.9Confident128 Ų12857 Ų5768%0.68431%0.312SS*.Hα-helixtrans-63.9-20.8-178.8-71-26.6000113.8A187 H188A187-N191 PolarHBondContact O-N 3.4Å; A187-N191 VanDerWaalsContact O-N 3.11Å; A187-N191 PolarHBondContact O-ND2 3.28Å; H188-N191 PolarHBondContact O-N 3.22Å
192L87.9Confident87.1Confident16 Ų1658.2 Ų58.28%0.08432%0.319CS..Hα-helixtrans-86.9-30.6173.6-69.1170.8000112.9H188 I189 W190 L212 P223 L226H188-L192 WeakPolarHBondContact O-CG 3.37Å; H188-L192 PolarHBondContact O-N 2.72Å; I189-L192 PolarHBondContact O-N 3.23Å; W190-L192 PolarHBondContact O-N 2.83Å; L192-L212 HydrophobicContact CB-CD1 3.67Å; L192-L212 HydrophobicContact CD1-CD1 4.06Å; L192-L212 HydrophobicContact CD1-CD2 4.42Å; L192-P223 WeakPolarHBondContact CD1-O 3.31Å; L192-L226 HydrophobicContact CB-CD1 4.23Å
193A87.7Confident87.4Confident0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-91.9-29.6-174.800000114.2I189 W190 L195 L201 E205 I208 A209I189-A193 WeakPolarHBondContact O-CB 2.98Å; I189-A193 PolarHBondContact O-N 3.24Å; W190-A193 PolarHBondContact O-N 2.73Å; W190-A193 VanDerWaalsContact O-N 3.07Å; A193-L195 VanDerWaalsContact C-N 3.25Å; A193-L195 PolarHBondContact O-N 2.81Å; A193-L201 HydrophobicContact CB-CD2 4Å; A193-E205 WeakPolarHBondContact O-CB 3.19Å; A193-E205 WeakPolarHBondContact O-CG 3.32Å; A193-I208 HydrophobicContact CB-CG2 4.21Å; A193-A209 HydrophobicContact CB-CB 3.77Å
194D89.2Confident87.5Confident20 Ų2053.7 Ų53.711%0.10729%0.292CS..  trans-76.972.5176.8-171-8.2000110.8W190 N196 K197 N198 G199 L201W190-D194 PolarHBondContact NE1-OD2 3.22Å; W190-D194 WeakPolarHBondContact O-CB 3.42Å; W190-D194 PolarHBondContact O-N 2.79Å; D194-N196 PolarHBondContact O-N 3.09Å; D194-N196 PolarHBondContact OD1-OD1 2.99Å; D194-K197 PolarHBondContact O-N 3.18Å; D194-K197 WeakPolarHBondContact OD1-CA 3.45Å; D194-K197 PolarHBondContact OD1-N 2.8Å; D194-N198 PolarHBondContact OD1-N 3.42Å; D194-G199 PolarHBondContact OD2-N 2.79Å; D194-L201 HydrophobicContact CB-CD2 4.43Å
195L84.4Confident87.8Confident74 Ų7449.2 Ų49.239%0.38726%0.263SS..THydrogen-bonded Turntrans-59.6-29.3-174.7-69.8174.5000113.5A193 E205 I208 L226 L231A193-L195 VanDerWaalsContact C-N 3.25Å; A193-L195 PolarHBondContact O-N 2.81Å; L195-E205 HydrophobicContact CB-CG 4.36Å; L195-E205 HydrophobicContact CD1-CG 4.16Å; L195-E205 HydrophobicContact CG-CG 4.3Å; L195-I208 HydrophobicContact CD1-CD1 3.89Å; L195-L226 HydrophobicContact CD2-CD2 3.7Å; L195-L231 HydrophobicContact CD2-CD2 4.11Å
196N82.8Confident88.1Confident73 Ų7346.3 Ų46.339%0.3925%0.248SC..THydrogen-bonded Turntrans-104.5-7.8-17369.347.2000113.5D194 N198 E205D194-N196 PolarHBondContact O-N 3.09Å; D194-N196 PolarHBondContact OD1-OD1 2.99Å; N196-N198 VanDerWaalsContact C-N 3.29Å; N196-N198 PolarHBondContact ND2-ND2 2.89Å; N196-N198 PolarHBondContact O-N 2.82Å; N196-N198 WeakPolarHBondContact OD1-CB 3.5Å; N196-N198 PolarHBondContact OD1-N 3.18Å; N196-N198 PolarHBondContact OD1-ND2 2.8Å; N196-N198 PolarHBondContact OD1-OD1 3.38Å; N196-N198 VanDerWaalsContact OD1-OD1 3.13Å; N196-E205 VanDerWaalsContact ND2-CD 3.33Å; N196-E205 PolarHBondContact ND2-OE1 2.96Å; N196-E205 PolarHBondContact ND2-OE2 3.38Å
197K83.7Confident88.2Confident188 Ų18845.5 Ų45.582%0.81724%0.244SC*.  trans58.129.7-179-58-170.6177.1-173.70115.1D194D194-K197 PolarHBondContact O-N 3.18Å; D194-K197 WeakPolarHBondContact OD1-CA 3.45Å; D194-K197 PolarHBondContact OD1-N 2.8Å
198N86.1Confident88.3Confident91 Ų9143.2 Ų43.249%0.48723%0.225SC..SBendtrans-91-4.2178.978.415.3000113.7D194 N196 N200D194-N198 PolarHBondContact OD1-N 3.42Å; N196-N198 VanDerWaalsContact C-N 3.29Å; N196-N198 PolarHBondContact ND2-ND2 2.89Å; N196-N198 PolarHBondContact O-N 2.82Å; N196-N198 WeakPolarHBondContact OD1-CB 3.5Å; N196-N198 PolarHBondContact OD1-N 3.18Å; N196-N198 PolarHBondContact OD1-ND2 2.8Å; N196-N198 PolarHBondContact OD1-OD1 3.38Å; N196-N198 VanDerWaalsContact OD1-OD1 3.13Å; N198-N200 VanDerWaalsContact C-N 3.31Å; N198-N200 PolarHBondContact O-N 3.22Å; N198-N200 WeakPolarHBondContact OD1-CA 3.27Å; N198-N200 VanDerWaalsContact OD1-CB 3.29Å; N198-N200 WeakPolarHBondContact OD1-CB 3.44Å; N198-N200 PolarHBondContact OD1-N 2.89Å; N198-N200 PolarHBondContact OD1-O 3.5Å
199G83.7Confident88.5Confident29 Ų2940.3 Ų40.330%0.29921%0.211SC..SBendtrans78.38.5-179.600000115.3G169 D194G169-G199 PolarHBondContact N-O 2.79Å; G169-G199 VanDerWaalsContact N-O 3.09Å; D194-G199 PolarHBondContact OD2-N 2.79Å
200N89.6Confident88.6Confident42 Ų4240.3 Ų40.323%0.22521%0.211CC..EExtended strand (participates in β ladder)trans-128.6129.3177.5-55.2-46.7000110.1F166 L167 T168 N198F166-N200 HydrophobicContact CB-CB 4.21Å; F166-N200 HydrophobicContact CD2-CB 3.73Å; F166-N200 HydrophobicContact CE2-CB 4.5Å; F166-N200 HydrophobicContact CG-CB 4.24Å; L167-N200 CarbonylContact O-C 3.57Å; L167-N200 VanDerWaalsContact O-CA 3.23Å; L167-N200 WeakPolarHBondContact O-CA 3.41Å; T168-N200 WeakPolarHBondContact CA-OD1 3.41Å; N198-N200 VanDerWaalsContact C-N 3.31Å; N198-N200 PolarHBondContact O-N 3.22Å; N198-N200 WeakPolarHBondContact OD1-CA 3.27Å; N198-N200 VanDerWaalsContact OD1-CB 3.29Å; N198-N200 WeakPolarHBondContact OD1-CB 3.44Å; N198-N200 PolarHBondContact OD1-N 2.89Å; N198-N200 PolarHBondContact OD1-O 3.5Å
201L89.9Confident88.7Confident0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-88117.5176.9-67.3168.9000110.1F166 L167 A172 L176 W190 A193 D194 E205 F206 A209F166-L201 WeakPolarHBondContact CA-O 3.21Å; L167-L201 PolarHBondContact N-O 2.83Å; L167-L201 PolarHBondContact O-N 2.63Å; A172-L201 HydrophobicContact CB-CD1 3.9Å; L176-L201 HydrophobicContact CD1-CD1 4.44Å; W190-L201 HydrophobicContact CE3-CD1 4.16Å; W190-L201 HydrophobicContact CH2-CD1 3.75Å; W190-L201 HydrophobicContact CH2-CG 3.86Å; W190-L201 HydrophobicContact CZ2-CD1 4.39Å; W190-L201 HydrophobicContact CZ2-CG 4.13Å; W190-L201 HydrophobicContact CZ3-CD1 3.66Å; W190-L201 HydrophobicContact CZ3-CG 4.28Å; A193-L201 HydrophobicContact CB-CD2 4Å; D194-L201 HydrophobicContact CB-CD2 4.43Å; L201-E205 HydrophobicContact CB-CB 4.36Å; L201-E205 HydrophobicContact CD2-CB 3.77Å; L201-F206 HydrophobicContact CB-CB 4.47Å; L201-A209 HydrophobicContact CD1-CB 4.37Å
202N90.9Very high88.9Confident55 Ų5532.9 Ų32.929%0.29417%0.174SC..EExtended strand (participates in β ladder)trans-73.2176.4167.778.849.6000111.7D204 E205 F206N202-D204 PolarHBondContact O-N 3.4Å; N202-D204 PolarHBondContact OD1-N 3.47Å; N202-E205 WeakPolarHBondContact CB-OE2 3.48Å; N202-E205 VanDerWaalsContact CG-CD 3.49Å; N202-E205 PolarHBondContact N-OE2 3.33Å; N202-E205 WeakPolarHBondContact ND2-CG 3.49Å; N202-E205 PolarHBondContact ND2-OE1 3.38Å; N202-E205 PolarHBondContact ND2-OE2 2.92Å; N202-E205 PolarHBondContact O-N 2.87Å; N202-E205 PolarHBondContact OD1-N 3.29Å; N202-E205 VanDerWaalsContact OD1-N 3.09Å; N202-F206 VanDerWaalsContact O-CB 3.28Å; N202-F206 WeakPolarHBondContact O-CB 3.22Å; N202-F206 PolarHBondContact O-N 2.89Å
203C90.1Very high89Confident25 Ų2532.1 Ų32.117%0.16917%0.17CC..Hα-helixtrans-57.6-40.5-175.7-175.50000114.6F156 C207F156-C203 HydrophobicContact CD1-CB 3.95Å; F156-C203 HydrophobicContact CD2-CB 4.48Å; F156-C203 HydrophobicContact CE1-CB 3.82Å; F156-C203 HydrophobicContact CE2-CB 4.35Å; F156-C203 HydrophobicContact CG-CB 4.29Å; F156-C203 HydrophobicContact CZ-CB 4.03Å; C203-C207 PolarHBondContact O-N 3.27Å; C203-C207 PolarHBondContact O-SG 3.31Å
204D88.2Confident89Confident48 Ų4835 Ų3526%0.25718%0.184SC..Hα-helixtrans-82.1-34.1-179.9-73.9-55.5000111.6R149 R153 N202 F206 C207 I208R149-D204 IonicContact NE-OD1 2.67Å; R149-D204 IonicContact NH2-OD1 3.16Å; R149-D204 PolarHBondContact NH2-OD1 2.93Å; R153-D204 IonicContact CZ-OD1 3.57Å; R153-D204 IonicContact NE-OD1 3.6Å; R153-D204 VanDerWaalsContact NH2-CG 3.28Å; R153-D204 IonicContact NH2-OD1 2.76Å; R153-D204 PolarHBondContact NH2-OD1 3.49Å; R153-D204 IonicContact NH2-OD2 3.72Å; R153-D204 PolarHBondContact NH2-OD2 3.07Å; N202-D204 PolarHBondContact O-N 3.4Å; N202-D204 PolarHBondContact OD1-N 3.47Å; D204-F206 VanDerWaalsContact C-N 3.33Å; D204-F206 PolarHBondContact O-N 3.5Å; D204-C207 WeakPolarHBondContact O-CB 3.47Å; D204-C207 PolarHBondContact O-N 3.5Å; D204-C207 VanDerWaalsContact O-N 3.17Å; D204-I208 WeakPolarHBondContact O-CG1 3.32Å; D204-I208 PolarHBondContact O-N 3.03Å
205E91.9Very high88.8Confident6 Ų635.4 Ų35.43%0.02818%0.184CC..Hα-helixtrans-62.1-40171-69.1167.8165.900111.7A193 L195 N196 L201 N202 I208 A209A193-E205 WeakPolarHBondContact O-CB 3.19Å; A193-E205 WeakPolarHBondContact O-CG 3.32Å; L195-E205 HydrophobicContact CB-CG 4.36Å; L195-E205 HydrophobicContact CD1-CG 4.16Å; L195-E205 HydrophobicContact CG-CG 4.3Å; N196-E205 VanDerWaalsContact ND2-CD 3.33Å; N196-E205 PolarHBondContact ND2-OE1 2.96Å; N196-E205 PolarHBondContact ND2-OE2 3.38Å; L201-E205 HydrophobicContact CB-CB 4.36Å; L201-E205 HydrophobicContact CD2-CB 3.77Å; N202-E205 WeakPolarHBondContact CB-OE2 3.48Å; N202-E205 VanDerWaalsContact CG-CD 3.49Å; N202-E205 PolarHBondContact N-OE2 3.33Å; N202-E205 WeakPolarHBondContact ND2-CG 3.49Å; N202-E205 PolarHBondContact ND2-OE1 3.38Å; N202-E205 PolarHBondContact ND2-OE2 2.92Å; N202-E205 PolarHBondContact O-N 2.87Å; N202-E205 PolarHBondContact OD1-N 3.29Å; N202-E205 VanDerWaalsContact OD1-N 3.09Å; E205-I208 WeakPolarHBondContact O-CB 3.42Å; E205-I208 PolarHBondContact O-N 2.88Å; E205-A209 PolarHBondContact O-N 2.69Å
206F92.9Very high88.9Confident0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-64.6-38172.5-177.4-90.6000112.3L155 F156 L167 I175 L201 N202 D204 I208 A209 I210L155-F206 HydrophobicContact CB-CE1 4.13Å; L155-F206 HydrophobicContact CB-CZ 4.5Å; L155-F206 HydrophobicContact CD2-CE1 4.15Å; L155-F206 HydrophobicContact CD2-CZ 3.99Å; L155-F206 HydrophobicContact CG-CE1 4.41Å; L155-F206 HydrophobicContact CG-CZ 4.31Å; F156-F206 HydrophobicContact CB-CD1 3.72Å; F156-F206 HydrophobicContact CB-CE1 3.99Å; F156-F206 HydrophobicContact CB-CG 4.3Å; F156-F206 HydrophobicContact CD2-CB 3.79Å; F156-F206 HydrophobicContact CD2-CD1 4.15Å; F156-F206 HydrophobicContact CD2-CD2 4.37Å; F156-F206 AromaticContact CD2-CG 3.85Å; F156-F206 HydrophobicContact CD2-CG 3.85Å; F156-F206 HydrophobicContact CE2-CB 4.44Å; F156-F206 HydrophobicContact CG-CD1 4.43Å; L167-F206 HydrophobicContact CD1-CD2 3.57Å; L167-F206 HydrophobicContact CD1-CE2 3.69Å; L167-F206 HydrophobicContact CD1-CG 4.33Å; I175-F206 HydrophobicContact CD1-CE2 3.96Å; I175-F206 HydrophobicContact CD1-CZ 4.43Å; I175-F206 HydrophobicContact CG2-CE2 4.18Å; I175-F206 HydrophobicContact CG2-CZ 4.1Å; L201-F206 HydrophobicContact CB-CB 4.47Å; N202-F206 VanDerWaalsContact O-CB 3.28Å; N202-F206 WeakPolarHBondContact O-CB 3.22Å; N202-F206 PolarHBondContact O-N 2.89Å; D204-F206 VanDerWaalsContact C-N 3.33Å; D204-F206 PolarHBondContact O-N 3.5Å; F206-I208 VanDerWaalsContact C-N 3.29Å; F206-I208 PolarHBondContact O-N 2.89Å; F206-A209 PolarHBondContact O-N 2.95Å; F206-I210 HydrophobicContact CD1-CG1 4.12Å; F206-I210 HydrophobicContact CE1-CD1 4.26Å; F206-I210 HydrophobicContact CE1-CG1 3.68Å; F206-I210 HydrophobicContact CE2-CD1 4.45Å; F206-I210 HydrophobicContact CE2-CG1 4.49Å; F206-I210 HydrophobicContact CZ-CD1 3.96Å; F206-I210 HydrophobicContact CZ-CG1 3.9Å; F206-I210 WeakPolarHBondContact O-CG1 3.16Å; F206-I210 PolarHBondContact O-N 3.14Å
207C91.2Very high89Confident1 Ų134 Ų341%0.00718%0.179CC..Hα-helixtrans-62.2-37.2173.7-68.60000112I144 Y152 C203 D204 F211I144-C207 HydrophobicContact CD1-CB 4.06Å; I144-C207 WeakPolarHBondContact CD1-O 3.07Å; Y152-C207 HydrophobicContact CD2-CB 4.15Å; C203-C207 PolarHBondContact O-N 3.27Å; C203-C207 PolarHBondContact O-SG 3.31Å; D204-C207 WeakPolarHBondContact O-CB 3.47Å; D204-C207 PolarHBondContact O-N 3.5Å; D204-C207 VanDerWaalsContact O-N 3.17Å; C207-F211 WeakPolarHBondContact O-CB 3.46Å; C207-F211 PolarHBondContact O-N 2.84Å; C207-F211 VanDerWaalsContact O-N 3.16Å
208I90.2Very high89Confident4 Ų428.8 Ų28.82%0.02117%0.167CC..Hα-helixtrans-65.9-45.6173.9-65.7164.3000110.4A193 L195 D204 E205 F206 I210 F211 L212 L226 L230A193-I208 HydrophobicContact CB-CG2 4.21Å; L195-I208 HydrophobicContact CD1-CD1 3.89Å; D204-I208 WeakPolarHBondContact O-CG1 3.32Å; D204-I208 PolarHBondContact O-N 3.03Å; E205-I208 WeakPolarHBondContact O-CB 3.42Å; E205-I208 PolarHBondContact O-N 2.88Å; F206-I208 VanDerWaalsContact C-N 3.29Å; F206-I208 PolarHBondContact O-N 2.89Å; I208-I210 PolarHBondContact O-N 3.48Å; I208-F211 PolarHBondContact O-N 3.4Å; I208-L212 HydrophobicContact CG2-CD1 3.93Å; I208-L212 HydrophobicContact CG2-CG 4.43Å; I208-L212 WeakPolarHBondContact O-CG 3.27Å; I208-L212 PolarHBondContact O-N 2.97Å; I208-L226 HydrophobicContact CD1-CD2 4.43Å; I208-L226 HydrophobicContact CG2-CD1 3.85Å; I208-L226 HydrophobicContact CG2-CD2 4.41Å; I208-L230 WeakPolarHBondContact CD1-O 3.15Å
209A92.2Very high88.5Confident1 Ų127.6 Ų27.61%0.00818%0.176CC..Hα-helixtrans-58.4-45.7179.100000112.9L176 I189 A193 L201 E205 F206 L212 I213L176-A209 HydrophobicContact CD2-CB 4.02Å; I189-A209 HydrophobicContact CG2-CB 4.42Å; A193-A209 HydrophobicContact CB-CB 3.77Å; L201-A209 HydrophobicContact CD1-CB 4.37Å; E205-A209 PolarHBondContact O-N 2.69Å; F206-A209 PolarHBondContact O-N 2.95Å; A209-L212 PolarHBondContact O-N 3.16Å; A209-I213 WeakPolarHBondContact O-CG1 3.42Å; A209-I213 PolarHBondContact O-N 2.97Å; A209-I213 VanDerWaalsContact O-N 3.12Å
210I92.5Very high88Confident1 Ų128.1 Ų28.11%0.00518%0.175CC..Hα-helixtrans-68.2-38.6178.3-60.8-63.3000111.8Y152 L155 L176 Y179 F206 I208 L212 I213 E214Y152-I210 HydrophobicContact CD1-CB 4.2Å; Y152-I210 HydrophobicContact CD1-CG2 3.52Å; Y152-I210 HydrophobicContact CE1-CB 4.47Å; Y152-I210 HydrophobicContact CE1-CG2 3.55Å; Y152-I210 HydrophobicContact CG-CB 4.25Å; Y152-I210 HydrophobicContact CG-CG2 4.08Å; L155-I210 HydrophobicContact CD2-CD1 4.06Å; L155-I210 HydrophobicContact CD2-CG1 4.39Å; L176-I210 HydrophobicContact CD2-CD1 4.14Å; Y179-I210 HydrophobicContact CE2-CD1 3.96Å; F206-I210 HydrophobicContact CD1-CG1 4.12Å; F206-I210 HydrophobicContact CE1-CD1 4.26Å; F206-I210 HydrophobicContact CE1-CG1 3.68Å; F206-I210 HydrophobicContact CE2-CD1 4.45Å; F206-I210 HydrophobicContact CE2-CG1 4.49Å; F206-I210 HydrophobicContact CZ-CD1 3.96Å; F206-I210 HydrophobicContact CZ-CG1 3.9Å; F206-I210 WeakPolarHBondContact O-CG1 3.16Å; F206-I210 PolarHBondContact O-N 3.14Å; I208-I210 PolarHBondContact O-N 3.48Å; I210-L212 PolarHBondContact O-N 3.4Å; I210-I213 WeakPolarHBondContact O-CB 3.4Å; I210-I213 PolarHBondContact O-N 3.22Å; I210-E214 PolarHBondContact O-N 3.32Å
211F91.3Very high87.2Confident17 Ų1734.9 Ų34.98%0.07521%0.205CC..Hα-helixtrans-62.1-41.5175.9-179.2-96000112.5W142 I143 I144 Y152 C207 I208 I213 E214 K215 L230W142-F211 HydrophobicContact CE3-CE1 4.07Å; I143-F211 WeakPolarHBondContact O-CE2 3.07Å; I144-F211 HydrophobicContact CB-CD2 4.47Å; I144-F211 HydrophobicContact CD1-CB 4.09Å; I144-F211 HydrophobicContact CD1-CG 4.45Å; I144-F211 HydrophobicContact CG1-CB 3.86Å; I144-F211 HydrophobicContact CG1-CD1 4.42Å; I144-F211 HydrophobicContact CG1-CD2 3.7Å; I144-F211 HydrophobicContact CG1-CE2 4.35Å; I144-F211 HydrophobicContact CG1-CG 3.73Å; Y152-F211 HydrophobicContact CE2-CB 4.05Å; C207-F211 WeakPolarHBondContact O-CB 3.46Å; C207-F211 PolarHBondContact O-N 2.84Å; C207-F211 VanDerWaalsContact O-N 3.16Å; I208-F211 PolarHBondContact O-N 3.4Å; F211-I213 VanDerWaalsContact C-N 3.32Å; F211-I213 PolarHBondContact O-N 3.15Å; F211-E214 PolarHBondContact O-N 2.82Å; F211-K215 HydrophobicContact CE1-CG 4.28Å; F211-K215 HydrophobicContact CZ-CG 4.39Å; F211-K215 PolarHBondContact O-N 3.36Å; F211-K215 VanDerWaalsContact O-N 3.07Å; F211-L230 HydrophobicContact CD1-CD1 3.95Å; F211-L230 HydrophobicContact CD1-CD2 3.68Å; F211-L230 HydrophobicContact CD1-CG 4.44Å; F211-L230 HydrophobicContact CE1-CD1 4.05Å; F211-L230 HydrophobicContact CE1-CD2 3.89Å; F211-L230 HydrophobicContact CE1-CG 4.43Å; F211-L230 HydrophobicContact CG-CD2 4.28Å
212L90.1Very high86.5Confident0 Ų036.6 Ų36.60%021%0.214CC..Hα-helixtrans-65.1-34.7174.9-69.6170.7000112.2W142 I189 L192 I208 A209 I210 A216 L222 L226 L230W142-L212 HydrophobicContact CZ3-CD2 4.14Å; I189-L212 HydrophobicContact CD1-CB 4.49Å; I189-L212 HydrophobicContact CG1-CB 4.15Å; I189-L212 HydrophobicContact CG2-CB 3.89Å; I189-L212 HydrophobicContact CG2-CD1 4.21Å; L192-L212 HydrophobicContact CB-CD1 3.67Å; L192-L212 HydrophobicContact CD1-CD1 4.06Å; L192-L212 HydrophobicContact CD1-CD2 4.42Å; I208-L212 HydrophobicContact CG2-CD1 3.93Å; I208-L212 HydrophobicContact CG2-CG 4.43Å; I208-L212 WeakPolarHBondContact O-CG 3.27Å; I208-L212 PolarHBondContact O-N 2.97Å; A209-L212 PolarHBondContact O-N 3.16Å; I210-L212 PolarHBondContact O-N 3.4Å; L212-A216 WeakPolarHBondContact O-CB 3.27Å; L212-A216 PolarHBondContact O-N 3.28Å; L212-L222 HydrophobicContact CB-CD2 4.1Å; L212-L222 HydrophobicContact CD2-CD2 4.03Å; L212-L226 HydrophobicContact CD1-CD1 4.31Å; L212-L230 HydrophobicContact CD2-CD1 4.47Å
213I90.3Very high85.5Confident0 Ų035.1 Ų35.10%021%0.208CC..Hα-helixtrans-64.3-48.3172-74.2-177.4000111.3L176 Y179 L181 L186 I189 A209 I210 F211 K215 A216 I217L176-I213 HydrophobicContact CB-CD1 4.08Å; L176-I213 HydrophobicContact CD2-CD1 3.47Å; L176-I213 VanDerWaalsContact CD2-CD1 3.47Å; L176-I213 HydrophobicContact CG-CD1 4.36Å; Y179-I213 HydrophobicContact CD1-CG2 3.59Å; Y179-I213 HydrophobicContact CD2-CD1 4.11Å; Y179-I213 HydrophobicContact CD2-CG2 4.32Å; Y179-I213 HydrophobicContact CE1-CG2 4.27Å; Y179-I213 HydrophobicContact CG-CD1 4.31Å; Y179-I213 HydrophobicContact CG-CG2 3.61Å; L181-I213 HydrophobicContact CD1-CB 4.24Å; L181-I213 HydrophobicContact CD1-CG1 3.92Å; L181-I213 HydrophobicContact CD1-CG2 4.01Å; L186-I213 HydrophobicContact CD2-CD1 4.19Å; I189-I213 HydrophobicContact CD1-CG1 3.73Å; I189-I213 HydrophobicContact CG2-CG1 4.4Å; A209-I213 WeakPolarHBondContact O-CG1 3.42Å; A209-I213 PolarHBondContact O-N 2.97Å; A209-I213 VanDerWaalsContact O-N 3.12Å; I210-I213 WeakPolarHBondContact O-CB 3.4Å; I210-I213 PolarHBondContact O-N 3.22Å; F211-I213 VanDerWaalsContact C-N 3.32Å; F211-I213 PolarHBondContact O-N 3.15Å; I213-K215 PolarHBondContact O-N 2.79Å; I213-A216 PolarHBondContact O-N 3.18Å; I213-I217 HydrophobicContact CG2-CD1 3.6Å; I213-I217 HydrophobicContact CG2-CG1 4.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 2.83Å
214E88.3Confident84.7Confident60 Ų6040.8 Ų40.828%0.2824%0.236SC..Hα-helixtrans-60.5-43.3179.2-74.3-169170.600111.5N148 R151 Y152 I210 F211 A216 I217 S218N148-E214 PolarHBondContact ND2-OE2 3.35Å; R151-E214 IonicContact NH1-OE1 3.47Å; Y152-E214 PolarHBondContact OH-OE2 3.2Å; I210-E214 PolarHBondContact O-N 3.32Å; F211-E214 PolarHBondContact O-N 2.82Å; E214-A216 PolarHBondContact O-N 3.39Å; E214-I217 PolarHBondContact O-N 3.02Å; E214-S218 PolarHBondContact O-N 2.94Å; E214-S218 PolarHBondContact O-OG 2.95Å
215K84.7Confident83.9Confident28 Ų2843.9 Ų43.912%0.12226%0.257CS..Hα-helixtrans-61.5-39.6174.2-89.3-75.1-1781780113.1D141 W142 F211 I213 S218 S220D141-K215 WeakPolarHBondContact O-CE 3.28Å; D141-K215 PolarHBondContact O-NZ 2.87Å; D141-K215 IonicContact OD1-NZ 3.72Å; D141-K215 PolarHBondContact OD1-NZ 3.05Å; D141-K215 IonicContact OD2-NZ 2.62Å; D141-K215 PolarHBondContact OD2-NZ 3.19Å; W142-K215 HydrophobicContact CZ3-CB 4.48Å; W142-K215 HydrophobicContact CZ3-CG 4.26Å; F211-K215 HydrophobicContact CE1-CG 4.28Å; F211-K215 HydrophobicContact CZ-CG 4.39Å; F211-K215 PolarHBondContact O-N 3.36Å; F211-K215 VanDerWaalsContact O-N 3.07Å; I213-K215 PolarHBondContact O-N 2.79Å; K215-S218 WeakPolarHBondContact CA-OG 3.49Å; K215-S218 PolarHBondContact O-N 3.29Å; K215-S218 PolarHBondContact O-OG 2.93Å; K215-S220 WeakPolarHBondContact O-CB 3.48Å; K215-S220 PolarHBondContact O-N 3.16Å
216A86.2Confident82.8Confident20 Ų2045.2 Ų45.217%0.16526%0.264CS..Hα-helixtrans-68.1-39.7177.300000112.6L181 I189 L212 I213 E214 S218 G219 L222L181-A216 HydrophobicContact CD1-CB 4.08Å; L181-A216 HydrophobicContact CD2-CB 4.27Å; I189-A216 HydrophobicContact CD1-CB 4.49Å; L212-A216 WeakPolarHBondContact O-CB 3.27Å; L212-A216 PolarHBondContact O-N 3.28Å; I213-A216 PolarHBondContact O-N 3.18Å; E214-A216 PolarHBondContact O-N 3.39Å; A216-S218 VanDerWaalsContact C-N 3.35Å; A216-G219 PolarHBondContact O-N 3.18Å; A216-L222 HydrophobicContact CB-CD1 4.22Å; A216-L222 HydrophobicContact CB-CD2 4.46Å; A216-L222 HydrophobicContact CB-CG 4.28Å
217I85.9Confident81.4Confident97 Ų9746.7 Ų46.750%0.49727%0.273SS..Hα-helixtrans-67.1-36.7175.2-65.6167.4000110.8Y179 L181 I213 E214 G219Y179-I217 HydrophobicContact CD1-CD1 4.04Å; L181-I217 HydrophobicContact CD1-CG1 4.49Å; L181-I217 HydrophobicContact CD2-CG1 4.37Å; L181-I217 HydrophobicContact CG-CG1 4.43Å; I213-I217 HydrophobicContact CG2-CD1 3.6Å; I213-I217 HydrophobicContact CG2-CG1 4.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 2.83Å; E214-I217 PolarHBondContact O-N 3.02Å; I217-G219 PolarHBondContact O-N 2.75Å; I217-G219 VanDerWaalsContact O-N 3.11Å
218S82.1Confident79.9Confident80 Ų8050.8 Ų50.856%0.55930%0.302SS*.THydrogen-bonded Turntrans-74.913.3174.366.40000114.5E214 K215 A216 S220E214-S218 PolarHBondContact O-N 2.94Å; E214-S218 PolarHBondContact O-OG 2.95Å; K215-S218 WeakPolarHBondContact CA-OG 3.49Å; K215-S218 PolarHBondContact O-N 3.29Å; K215-S218 PolarHBondContact O-OG 2.93Å; A216-S218 VanDerWaalsContact C-N 3.35Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 2.83Å
219G77.1Confident78.3Confident66 Ų6652.7 Ų52.768%0.6832%0.323SS*.THydrogen-bonded Turntrans75.99.8174.200000115.9A216 I217A216-G219 PolarHBondContact O-N 3.18Å; I217-G219 PolarHBondContact O-N 2.75Å; I217-G219 VanDerWaalsContact O-N 3.11Å
220S73.1Confident76.9Confident40 Ų4053.2 Ų53.228%0.2833%0.325SS..PPolyproline II helixtrans-79.1135.7174.2-59.30000110.5K215 S218 L222K215-S220 WeakPolarHBondContact O-CB 3.48Å; K215-S220 PolarHBondContact O-N 3.16Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 2.83Å; S220-L222 PolarHBondContact O-N 2.82Å
221Q73.4Confident75.1Confident183 Ų18357.3 Ų57.386%0.85535%0.347SS*.PPolyproline II helixtrans-65.8134.8174.4-67.9-167.89.200110.7
222L75Confident73Confident36 Ų3660.8 Ų60.819%0.18837%0.371CS..PPolyproline II helixtrans-69.5137.9177.2-78.3160.1000110.7I185 I189 L212 A216 S220I185-L222 HydrophobicContact CG2-CD1 3.58Å; I189-L222 HydrophobicContact CD1-CD1 4.08Å; I189-L222 HydrophobicContact CD1-CD2 4.36Å; I189-L222 HydrophobicContact CG1-CD1 3.79Å; I189-L222 HydrophobicContact CG1-CD2 3.9Å; L212-L222 HydrophobicContact CB-CD2 4.1Å; L212-L222 HydrophobicContact CD2-CD2 4.03Å; A216-L222 HydrophobicContact CB-CD1 4.22Å; A216-L222 HydrophobicContact CB-CD2 4.46Å; A216-L222 HydrophobicContact CB-CG 4.28Å; S220-L222 PolarHBondContact O-N 2.82Å
223P69.6Low70.6Confident25 Ų2566 Ų6616%0.16241%0.408CS..PPolyproline II helixtrans-75.8151.8-17932.5-34.4000110.8W142 H188 L192 T225 P227W142-P223 HydrophobicContact CH2-CG 4.02Å; W142-P223 HydrophobicContact CZ3-CG 4.02Å; H188-P223 PolarHBondContact NE2-O 2.66Å; L192-P223 WeakPolarHBondContact CD1-O 3.31Å; P223-T225 VanDerWaalsContact C-N 3.29Å; P223-T225 WeakPolarHBondContact CB-O 3.38Å; P223-P227 HydrophobicContact CB-CG 4.31Å; P223-P227 HydrophobicContact CG-CG 4.03Å
224N72.3Confident67.7Low144 Ų14472.4 Ų72.477%0.7744%0.442SS*.SBendtrans-79.1-14179.2-67.6-23000113.3
225T71.2Confident65.1Low113 Ų11377.7 Ų77.769%0.69347%0.466SS*.SBendtrans-144.5148.7176.944.20000108.6P223 P227P223-T225 VanDerWaalsContact C-N 3.29Å; P223-T225 WeakPolarHBondContact CB-O 3.38Å; T225-P227 VanDerWaalsContact O-CD 3.29Å; T225-P227 WeakPolarHBondContact O-CD 3.46Å
226L68.6Low62.4Low34 Ų3481.7 Ų81.718%0.17850%0.496CS..  trans-69.4122.3-174.6-164.574.2000111.1L192 L195 I208 L212 L230 L231L192-L226 HydrophobicContact CB-CD1 4.23Å; L195-L226 HydrophobicContact CD2-CD2 3.7Å; I208-L226 HydrophobicContact CD1-CD2 4.43Å; I208-L226 HydrophobicContact CG2-CD1 3.85Å; I208-L226 HydrophobicContact CG2-CD2 4.41Å; L212-L226 HydrophobicContact CD1-CD1 4.31Å; L226-L230 HydrophobicContact CD1-CB 4.29Å; L226-L230 HydrophobicContact CD1-CD1 3.94Å; L226-L230 HydrophobicContact CD2-CB 4.21Å; L226-L230 HydrophobicContact CG-CB 4.11Å; L226-L231 HydrophobicContact CD2-CD2 4.07Å
227P64.9Low59.6Low30 Ų3092.1 Ų92.120%0.19553%0.531CS..  trans-61.3142.6178.1-25.134.9000112.7W142 P223 T225 G229 L230W142-P227 HydrophobicContact CB-CB 3.88Å; W142-P227 HydrophobicContact CB-CG 4.19Å; W142-P227 HydrophobicContact CD2-CB 4.45Å; W142-P227 HydrophobicContact CD2-CG 3.79Å; W142-P227 HydrophobicContact CE3-CG 3.94Å; W142-P227 HydrophobicContact CG-CB 4.03Å; W142-P227 HydrophobicContact CG-CG 3.88Å; P223-P227 HydrophobicContact CB-CG 4.31Å; P223-P227 HydrophobicContact CG-CG 4.03Å; T225-P227 VanDerWaalsContact O-CD 3.29Å; T225-P227 WeakPolarHBondContact O-CD 3.46Å; P227-G229 PolarHBondContact O-N 3.31Å; P227-L230 PolarHBondContact O-N 2.72Å
228S58.9Low56.8Low88 Ų8893.5 Ų93.562%0.61554%0.544SS*.G310 helixtrans-63.2-15.4-173.823.10000115.2L230S228-L230 VanDerWaalsContact C-N 3.32Å
229G57.5Low54Low44 Ų4499.2 Ų99.245%0.45456%0.559SS.*G310 helixtrans-75-13.4171.500000115.2W142 P227W142-G229 CarbonylContact O-C 3.5Å; P227-G229 PolarHBondContact O-N 3.31Å
230L61.4Low51.6Low11 Ų1199 Ų996%0.05856%0.556CS.*G310 helixtrans-98.1-5.6176.1-69.9171.1000113.4W142 I144 I208 F211 L212 L226 P227 S228W142-L230 HydrophobicContact CE3-CD1 4.3Å; I144-L230 HydrophobicContact CD1-CD2 4.05Å; I144-L230 HydrophobicContact CG1-CD2 3.74Å; I208-L230 WeakPolarHBondContact CD1-O 3.15Å; F211-L230 HydrophobicContact CD1-CD1 3.95Å; F211-L230 HydrophobicContact CD1-CD2 3.68Å; F211-L230 HydrophobicContact CD1-CG 4.44Å; F211-L230 HydrophobicContact CE1-CD1 4.05Å; F211-L230 HydrophobicContact CE1-CD2 3.89Å; F211-L230 HydrophobicContact CE1-CG 4.43Å; F211-L230 HydrophobicContact CG-CD2 4.28Å; L212-L230 HydrophobicContact CD2-CD1 4.47Å; L226-L230 HydrophobicContact CD1-CB 4.29Å; L226-L230 HydrophobicContact CD1-CD1 3.94Å; L226-L230 HydrophobicContact CD2-CB 4.21Å; L226-L230 HydrophobicContact CG-CB 4.11Å; P227-L230 PolarHBondContact O-N 2.72Å; S228-L230 VanDerWaalsContact C-N 3.32Å
231L55.1Low49.5Very low88 Ų88105.2 Ų105.246%0.46158%0.58SS.*SBendtrans-82.5136177-70.2171.5000111.4L195 L226 S233L195-L231 HydrophobicContact CD2-CD2 4.11Å; L226-L231 HydrophobicContact CD2-CD2 4.07Å; L231-S233 PolarHBondContact O-N 2.58Å
232P47.4Very low47.2Very low89 Ų89103 Ų10358%0.57858%0.58SS**  trans-63120.7170.8-20.832.7000111.7
233S39.9Very low45.1Very low110 Ų110106.9 Ų106.977%0.76961%0.61SS**  trans-101.8106.8-170.7-163.80000114.7L231L231-S233 PolarHBondContact O-N 2.58Å
234N29.8Very low43.3Very low134 Ų134111.4 Ų111.472%0.71764%0.639SS**  trans45.8133.5136.8-80.6-35.7000125.5
235Q32.6Very low41.1Very low171 Ų171109.1 Ų109.180%0.79964%0.635SS**  trans84.5154140.5-76.2-178.422.100119.8
236P29.3Very low38.9Very low113 Ų113109.4 Ų109.473%0.73464%0.636SS**  cis-125.8168.620.141.1-26.6000118.5
237R26.9Very low36.8Very low239 Ų239113.9 Ų113.990%0.90267%0.665SS**  trans-100.6125.1164.9-62.4-178.9-176178.21.6110.5
238T26.2Very low35Very low126 Ų126116.5 Ų116.577%0.77369%0.689SS**  trans-159.3107.415835.10000108.1
239F24.6Very low33.7Very low200 Ų200120.5 Ų120.588%0.87770%0.695SS**  84.4106.380.9-103.6-81000116.3
240G25.7Very low32.2Very low60 Ų60124.8 Ų124.862%0.61970%0.703SS**  trans95.7140.5155.400000117.9
241H28.3Very low30.6Very low171 Ų171131 Ų13179%0.79274%0.737SS**  cis-160.9167.8-8.9-98.4-72.6000111.1
242T26.4Very low29.3Very low138 Ų138134.3 Ų134.385%0.84776%0.755SS**  trans93.7103.4165.268.90000119.6
243S29.5Very low28.2Very low117 Ų117139 Ų13982%0.81877%0.769SS**  trans-77.1-174.1174.5-31.40000112.9
244P33.3Very low27.5Very low119 Ų119138.4 Ų138.477%0.77377%0.765SS**  cis-128.5-156.13.840.1-18.2000112.4
245S25.7Very low27.3Very low97 Ų97141.9 Ų141.968%0.67877%0.773SS**  cis-163171.811.4-141.10000113.8
246V25.7Very low26.8Very low119 Ų119142 Ų14272%0.72177%0.774SS**  trans37.591.6143.8174.10000117.3
247T24.4Very low26.6Very low128 Ų128143 Ų14379%0.78577%0.773SS**  64.8143.690.160.60000116.7
248A27.2Very low26.7Very low85 Ų85140.5 Ų140.570%0.70277%0.769SS**  cis-171.4170-13.800000110.3
249K29.8Very low26.8Very low172 Ų172139.7 Ų139.775%0.74877%0.769SS**  trans8.1153.7145.2-72.5158.8160.5-100.90120.3
250E27.7Very low27.2Very low133 Ų133135.4 Ų135.462%0.62176%0.763SS**  cis-168.7178.422.5-127.5142-157.500113
251D26.9Very low27.8Very low141 Ų141136.2 Ų136.275%0.75475%0.753SS**  trans65.5147.7162-54-30000122.4
252N28.2Very low28.2Very low158 Ų158131.1 Ų131.185%0.84574%0.736SS**  cis106.5141.916.3-93.8-24.6000118
253E23.5Very low28.8Very low189 Ų189132.6 Ų132.688%0.88373%0.731SS**  trans82.7164.7175.3-74.9-149.3156.600122.4
254S25.2Very low29.5Very low96 Ų96132.2 Ų132.267%0.67172%0.717SS**  trans-135.1144-159.258.70000114
255K25.9Very low30.3Very low207 Ų207130.6 Ų130.690%0.970%0.702SS**  trans172.3170.3149.9-99.1152.3-169.2164.60115
256E23Very low31.3Very low173 Ų173129.4 Ų129.481%0.80868%0.684SS**  trans-84.6164.6179.5-54.2167.2118.700114.7
257N25.4Very low32.3Very low135 Ų135132.9 Ų132.972%0.72268%0.684SS**  trans79.7122.8156-70.7-56.3000123.5
258K27.3Very low33.6Very low187 Ų187135.2 Ų135.281%0.81368%0.679SS**  trans75.7103142.8-66.7-179.3179178.10125.1
259S29.6Very low34.7Very low109 Ų109134.6 Ų134.676%0.76266%0.661SS**  60.2131.4129.959.90000126.9
260S33.1Very low35.3Very low109 Ų109130.9 Ų130.976%0.76265%0.65SS**  trans90.2156.9155.988.70000119.3
261L37.7Very low36.7Very low78 Ų78131.9 Ų131.941%0.40865%0.652SS.*  cis-172.5149.9-18.6-111.4175000112.3K266 E269L261-K266 HydrophobicContact CB-CD 4.11Å; L261-K266 VanDerWaalsContact CB-CE 3.47Å; L261-K266 HydrophobicContact CB-CG 4.02Å; L261-K266 HydrophobicContact CD1-CG 4.2Å; L261-K266 PolarHBondContact O-NZ 3.42Å; L261-E269 HydrophobicContact CD1-CG 4.45Å; L261-E269 HydrophobicContact CD2-CG 4.37Å
262S37.5Very low38.1Very low63 Ų63134.3 Ų134.344%0.44165%0.651SS.*  trans-78.1160.6177.8163.90000114.8D265 K266S262-D265 WeakPolarHBondContact CB-OD2 3.32Å; S262-D265 PolarHBondContact OG-OD2 2.87Å; S262-K266 VanDerWaalsContact O-CA 3.26Å; S262-K266 WeakPolarHBondContact O-CA 3.43Å; S262-K266 WeakPolarHBondContact O-CB 3.2Å; S262-K266 WeakPolarHBondContact O-CD 3.23Å; S262-K266 WeakPolarHBondContact O-CG 3.22Å; S262-K266 PolarHBondContact O-N 2.8Å
263F38.6Very low39.1Very low169 Ų169131 Ų13174%0.74163%0.63SS**Hα-helixtrans-87.6-56-169.1-161-101.9000116.9D265 K266 R267F263-D265 PolarHBondContact O-N 2.82Å; F263-K266 CarbonylContact O-C 3.58Å; F263-K266 WeakPolarHBondContact O-CA 3.46Å; F263-K266 VanDerWaalsContact O-CB 3.26Å; F263-K266 WeakPolarHBondContact O-CB 3.47Å; F263-K266 PolarHBondContact O-N 3.27Å; F263-K266 VanDerWaalsContact O-N 3.1Å; F263-R267 PolarHBondContact O-N 3.06Å
264E43.9Very low40.8Very low109 Ų109123.8 Ų123.851%0.50961%0.607SS.*Hα-helixtrans-68.1-30.1173.9-126.460.4-13600111R267 R268E264-R267 PolarHBondContact O-N 2.62Å; E264-R268 PolarHBondContact O-N 2.85Å
265D50Low42.2Very low86 Ų86123.2 Ų123.246%0.4659%0.594SS.*Hα-helixtrans-73.8-35.5168.7-53.2-55.5000111.4S262 F263 R267 R268 E269S262-D265 WeakPolarHBondContact CB-OD2 3.32Å; S262-D265 PolarHBondContact OG-OD2 2.87Å; F263-D265 PolarHBondContact O-N 2.82Å; D265-R267 PolarHBondContact O-N 3.34Å; D265-R268 PolarHBondContact O-N 2.86Å; D265-E269 WeakPolarHBondContact O-CA 3.42Å; D265-E269 WeakPolarHBondContact O-CB 3.09Å; D265-E269 PolarHBondContact O-N 3.48Å
266K47.9Very low43.8Very low72 Ų72116.2 Ų116.231%0.31357%0.574SS.*Hα-helixtrans-56.1-33.2167.3-102.2156.5172.3144.90110.6L261 S262 F263 N270L261-K266 HydrophobicContact CB-CD 4.11Å; L261-K266 VanDerWaalsContact CB-CE 3.47Å; L261-K266 HydrophobicContact CB-CG 4.02Å; L261-K266 HydrophobicContact CD1-CG 4.2Å; L261-K266 PolarHBondContact O-NZ 3.42Å; S262-K266 VanDerWaalsContact O-CA 3.26Å; S262-K266 WeakPolarHBondContact O-CA 3.43Å; S262-K266 WeakPolarHBondContact O-CB 3.2Å; S262-K266 WeakPolarHBondContact O-CD 3.23Å; S262-K266 WeakPolarHBondContact O-CG 3.22Å; S262-K266 PolarHBondContact O-N 2.8Å; F263-K266 CarbonylContact O-C 3.58Å; F263-K266 WeakPolarHBondContact O-CA 3.46Å; F263-K266 VanDerWaalsContact O-CB 3.26Å; F263-K266 WeakPolarHBondContact O-CB 3.47Å; F263-K266 PolarHBondContact O-N 3.27Å; F263-K266 VanDerWaalsContact O-N 3.1Å; K266-N270 WeakPolarHBondContact O-CA 3.27Å; K266-N270 WeakPolarHBondContact O-CB 3.5Å; K266-N270 PolarHBondContact O-N 3.4Å; K266-N270 PolarHBondContact O-ND2 3.33Å
267R44.7Very low45.5Very low191 Ų191110.6 Ų110.672%0.72155%0.548SS*.Hα-helixtrans-70.4-42.9-179.1-150.4176.1-162.3171.23.9112F263 E264 D265 F271F263-R267 PolarHBondContact O-N 3.06Å; E264-R267 PolarHBondContact O-N 2.62Å; D265-R267 PolarHBondContact O-N 3.34Å; R267-F271 PolarHBondContact O-N 2.66Å
268R53.5Low47.1Very low177 Ų177108.4 Ų108.467%0.66854%0.536SS*.Hα-helixtrans-72.6-36.1173-89.5-179.3-76.7-125.3-1.8112.9E264 D265 F271 R272E264-R268 PolarHBondContact O-N 2.85Å; D265-R268 PolarHBondContact O-N 2.86Å; R268-F271 PolarHBondContact O-N 2.67Å; R268-R272 PolarHBondContact O-N 2.98Å
269E50.2Low48.5Very low72 Ų72102.9 Ų102.934%0.33652%0.515SS..Hα-helixtrans-74.4-36.7179-174.360.9-16500111.8L261 D265 F271 R272 Q273L261-E269 HydrophobicContact CD1-CG 4.45Å; L261-E269 HydrophobicContact CD2-CG 4.37Å; D265-E269 WeakPolarHBondContact O-CA 3.42Å; D265-E269 WeakPolarHBondContact O-CB 3.09Å; D265-E269 PolarHBondContact O-N 3.48Å; E269-F271 VanDerWaalsContact C-N 3.32Å; E269-F271 PolarHBondContact O-N 2.85Å; E269-R272 CarbonylContact O-C 3.59Å; E269-R272 PolarHBondContact O-N 2.93Å; E269-Q273 HydrophobicContact CG-CG 4.22Å; E269-Q273 VanDerWaalsContact O-CB 3.23Å; E269-Q273 WeakPolarHBondContact O-CB 3.25Å; E269-Q273 VanDerWaalsContact O-CG 3.25Å; E269-Q273 WeakPolarHBondContact O-CG 2.96Å; E269-Q273 PolarHBondContact O-N 3.18Å; E269-Q273 PolarHBondContact OE1-NE2 3.47Å
270N42.4Very low50.3Low95 Ų95103.5 Ų103.551%0.50850%0.501SS..Hα-helixtrans-67.4-32.4172-84.6-79.2000111.8K266 G274K266-N270 WeakPolarHBondContact O-CA 3.27Å; K266-N270 WeakPolarHBondContact O-CB 3.5Å; K266-N270 PolarHBondContact O-N 3.4Å; K266-N270 PolarHBondContact O-ND2 3.33Å; N270-G274 WeakPolarHBondContact O-CA 3.04Å; N270-G274 PolarHBondContact O-N 2.76Å
271F56.4Low51.3Low153 Ų153105.7 Ų105.767%0.67149%0.492SS*.Hα-helixtrans-69.9-41.5172.6-170.2-101.4000111.1R267 R268 E269 Q275R267-F271 PolarHBondContact O-N 2.66Å; R268-F271 PolarHBondContact O-N 2.67Å; E269-F271 VanDerWaalsContact C-N 3.32Å; E269-F271 PolarHBondContact O-N 2.85Å; F271-Q275 WeakPolarHBondContact O-CB 2.95Å; F271-Q275 PolarHBondContact O-N 3.37Å
272R56.6Low52.2Low192 Ų192107.7 Ų107.773%0.72550%0.498SS*.Hα-helixtrans-66.6-42.1173.3-99.3-177.4165151-2.5113.5R268 E269 Q275 A276R268-R272 PolarHBondContact O-N 2.98Å; E269-R272 CarbonylContact O-C 3.59Å; E269-R272 PolarHBondContact O-N 2.93Å; R272-Q275 PolarHBondContact O-N 2.8Å; R272-A276 WeakPolarHBondContact O-CB 3.23Å; R272-A276 PolarHBondContact O-N 3.39Å
273Q49.4Very low53.2Low88 Ų88110.6 Ų110.641%0.41150%0.504SS..Hα-helixtrans-69.1-38.4175.5-74.3178-4.500111.5E269 E277E269-Q273 HydrophobicContact CG-CG 4.22Å; E269-Q273 VanDerWaalsContact O-CB 3.23Å; E269-Q273 WeakPolarHBondContact O-CB 3.25Å; E269-Q273 VanDerWaalsContact O-CG 3.25Å; E269-Q273 WeakPolarHBondContact O-CG 2.96Å; E269-Q273 PolarHBondContact O-N 3.18Å; E269-Q273 PolarHBondContact OE1-NE2 3.47Å; Q273-E277 WeakPolarHBondContact O-CB 3.2Å; Q273-E277 PolarHBondContact O-N 2.7Å
274G58.9Low54.1Low38 Ų38107 Ų10739%0.39249%0.49SS..Hα-helixtrans-63.6-43.3173.800000112.2N270 L278N270-G274 WeakPolarHBondContact O-CA 3.04Å; N270-G274 PolarHBondContact O-N 2.76Å; G274-L278 WeakPolarHBondContact O-CB 3.24Å; G274-L278 PolarHBondContact O-N 2.84Å
275Q54.5Low54.6Low85 Ų85107.1 Ų107.140%0.39749%0.494SS..Hα-helixtrans-71-42176.6-157.765.847.900111.9F271 R272 L278 D279F271-Q275 WeakPolarHBondContact O-CB 2.95Å; F271-Q275 PolarHBondContact O-N 3.37Å; R272-Q275 PolarHBondContact O-N 2.8Å; Q275-L278 PolarHBondContact O-N 3.22Å; Q275-D279 PolarHBondContact O-N 3.2Å
276A59.5Low55Low59 Ų59105.5 Ų105.549%0.48849%0.492SS..Hα-helixtrans-69.3-32.4177.300000113.4R272 R280R272-A276 WeakPolarHBondContact O-CB 3.23Å; R272-A276 PolarHBondContact O-N 3.39Å; A276-R280 WeakPolarHBondContact O-CB 3.31Å; A276-R280 PolarHBondContact O-N 2.98Å
277E58.1Low55.5Low55 Ų55108.4 Ų108.426%0.25751%0.507SS..Hα-helixtrans-75.4-32.5172.9-177.668.6-175.500111.3Q273 R280 R281Q273-E277 WeakPolarHBondContact O-CB 3.2Å; Q273-E277 PolarHBondContact O-N 2.7Å; E277-R280 IonicContact OE1-NH1 2.79Å; E277-R280 IonicContact OE2-CZ 3.58Å; E277-R280 IonicContact OE2-NE 3.64Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.89Å; E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 WeakPolarHBondContact O-CG 3.16Å; E277-R281 PolarHBondContact O-N 2.79Å; E277-R281 IonicContact OE1-CZ 2.71Å; E277-R281 IonicContact OE1-NE 3.39Å; E277-R281 PolarHBondContact OE1-NE 3.06Å; E277-R281 IonicContact OE1-NH2 2.65Å; E277-R281 PolarHBondContact OE1-NH2 2.88Å
278L58.3Low56Low89 Ų89105.7 Ų105.747%0.46650%0.5SS..Hα-helixtrans-66.1-43.2170.4-107.1162.6000111.8G274 Q275 K282G274-L278 WeakPolarHBondContact O-CB 3.24Å; G274-L278 PolarHBondContact O-N 2.84Å; Q275-L278 PolarHBondContact O-N 3.22Å; L278-K282 VanDerWaalsContact O-CB 3.28Å; L278-K282 WeakPolarHBondContact O-CB 3.22Å; L278-K282 WeakPolarHBondContact O-CG 3.31Å; L278-K282 PolarHBondContact O-N 3.47Å
279D57.5Low56.1Low72 Ų72103.5 Ų103.539%0.38550%0.499SS..Hα-helixtrans-72-36.9176.3-71.4-22.1000111.3Q275 K282 Q283Q275-D279 PolarHBondContact O-N 3.2Å; D279-K282 CarbonylContact O-C 3.6Å; D279-K282 PolarHBondContact O-N 3.08Å; D279-Q283 VanDerWaalsContact O-CB 3.24Å; D279-Q283 WeakPolarHBondContact O-CB 3.41Å; D279-Q283 WeakPolarHBondContact O-CG 3.33Å; D279-Q283 PolarHBondContact O-N 3.07Å
280R67Low56.6Low121 Ų121107.9 Ų107.946%0.45751%0.512SS..Hα-helixtrans-63.1-42.2172.1179.5-175.5153.1-136.4-10.5112.3A276 E277 Q283 E284A276-R280 WeakPolarHBondContact O-CB 3.31Å; A276-R280 PolarHBondContact O-N 2.98Å; E277-R280 IonicContact OE1-NH1 2.79Å; E277-R280 IonicContact OE2-CZ 3.58Å; E277-R280 IonicContact OE2-NE 3.64Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.89Å; R280-Q283 PolarHBondContact O-N 2.76Å; R280-E284 HydrophobicContact CG-CG 4.41Å; R280-E284 IonicContact CZ-OE1 3.09Å; R280-E284 IonicContact NE-OE1 2.67Å; R280-E284 PolarHBondContact NE-OE1 2.9Å; R280-E284 IonicContact NH2-OE1 2.63Å; R280-E284 PolarHBondContact NH2-OE1 3Å; R280-E284 IonicContact NH2-OE2 3.11Å; R280-E284 WeakPolarHBondContact O-CB 3.4Å; R280-E284 VanDerWaalsContact O-CG 3.27Å; R280-E284 WeakPolarHBondContact O-CG 3.45Å; R280-E284 PolarHBondContact O-N 3.23Å
281R54.2Low57.2Low155 Ų155108.8 Ų108.859%0.58552%0.517SS*.Hα-helixtrans-74-32175.4-74.5-177.6-171.7173.95113.2E277 Q283 L285E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 WeakPolarHBondContact O-CG 3.16Å; E277-R281 PolarHBondContact O-N 2.79Å; E277-R281 IonicContact OE1-CZ 2.71Å; E277-R281 IonicContact OE1-NE 3.39Å; E277-R281 PolarHBondContact OE1-NE 3.06Å; E277-R281 IonicContact OE1-NH2 2.65Å; E277-R281 PolarHBondContact OE1-NH2 2.88Å; R281-Q283 VanDerWaalsContact C-N 3.34Å; R281-L285 WeakPolarHBondContact O-CB 3.44Å; R281-L285 PolarHBondContact O-N 3.01Å
282K56.8Low57.1Low120 Ų120106.2 Ų106.252%0.52251%0.51SS..Hα-helixtrans-68.4-35.1169.9-76.5171.6179.5175.80111.5L278 D279 A286L278-K282 VanDerWaalsContact O-CB 3.28Å; L278-K282 WeakPolarHBondContact O-CB 3.22Å; L278-K282 WeakPolarHBondContact O-CG 3.31Å; L278-K282 PolarHBondContact O-N 3.47Å; D279-K282 CarbonylContact O-C 3.6Å; D279-K282 PolarHBondContact O-N 3.08Å; K282-A286 WeakPolarHBondContact O-CA 3.25Å; K282-A286 WeakPolarHBondContact O-CB 3.46Å; K282-A286 PolarHBondContact O-N 3.05Å
283Q58.9Low57.1Low124 Ų124100.6 Ų100.658%0.57949%0.492SS*.Hα-helixtrans-69.6-53.6171.9-76.5170.6-17.900110.4D279 R280 R281 L285 A286 E287D279-Q283 VanDerWaalsContact O-CB 3.24Å; D279-Q283 WeakPolarHBondContact O-CB 3.41Å; D279-Q283 WeakPolarHBondContact O-CG 3.33Å; D279-Q283 PolarHBondContact O-N 3.07Å; R280-Q283 PolarHBondContact O-N 2.76Å; R281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.36Å; Q283-L285 VanDerWaalsContact O-N 3.08Å; Q283-A286 PolarHBondContact O-N 3.3Å; Q283-E287 WeakPolarHBondContact O-CA 3.43Å; Q283-E287 WeakPolarHBondContact O-CB 3.46Å; Q283-E287 VanDerWaalsContact O-CG 3.29Å; Q283-E287 WeakPolarHBondContact O-CG 3.42Å; Q283-E287 PolarHBondContact O-N 3.01Å
284E58Low57.4Low95 Ų95102 Ų10244%0.44450%0.498SS..Hα-helixtrans-56.6-29.3176.8-73.2170.6-178.900112.9R280 K288R280-E284 HydrophobicContact CG-CG 4.41Å; R280-E284 IonicContact CZ-OE1 3.09Å; R280-E284 IonicContact NE-OE1 2.67Å; R280-E284 PolarHBondContact NE-OE1 2.9Å; R280-E284 IonicContact NH2-OE1 2.63Å; R280-E284 PolarHBondContact NH2-OE1 3Å; R280-E284 IonicContact NH2-OE2 3.11Å; R280-E284 WeakPolarHBondContact O-CB 3.4Å; R280-E284 VanDerWaalsContact O-CG 3.27Å; R280-E284 WeakPolarHBondContact O-CG 3.45Å; R280-E284 PolarHBondContact O-N 3.23Å; E284-K288 WeakPolarHBondContact O-CB 3.11Å; E284-K288 PolarHBondContact O-N 3.41Å
285L54.2Low57.1Low111 Ų111104.6 Ų104.658%0.58150%0.502SS*.Hα-helixtrans-89.5-36.7176-161.974.2000113.8R281 Q283 K288 M289R281-L285 WeakPolarHBondContact O-CB 3.44Å; R281-L285 PolarHBondContact O-N 3.01Å; Q283-L285 PolarHBondContact O-N 3.36Å; Q283-L285 VanDerWaalsContact O-N 3.08Å; L285-K288 WeakPolarHBondContact O-CB 3.42Å; L285-K288 PolarHBondContact O-N 3.26Å; L285-M289 PolarHBondContact O-N 2.81Å
286A58.3Low57.5Low51 Ų51107.7 Ų107.742%0.42151%0.51SS..Hα-helixtrans-76.6-32.117600000112.1K282 Q283 K288 M289 R290K282-A286 WeakPolarHBondContact O-CA 3.25Å; K282-A286 WeakPolarHBondContact O-CB 3.46Å; K282-A286 PolarHBondContact O-N 3.05Å; Q283-A286 PolarHBondContact O-N 3.3Å; A286-K288 VanDerWaalsContact C-N 3.29Å; A286-M289 PolarHBondContact O-N 3.29Å; A286-R290 WeakPolarHBondContact O-CB 3.39Å; A286-R290 WeakPolarHBondContact O-CG 3.49Å; A286-R290 PolarHBondContact O-N 2.82Å
287E57.5Low57.5Low134 Ų134109.5 Ų109.563%0.62651%0.511SS*.Hα-helixtrans-65.1-35.1165.5-71.7-175.2134.600110.2Q283 L291Q283-E287 WeakPolarHBondContact O-CA 3.43Å; Q283-E287 WeakPolarHBondContact O-CB 3.46Å; Q283-E287 VanDerWaalsContact O-CG 3.29Å; Q283-E287 WeakPolarHBondContact O-CG 3.42Å; Q283-E287 PolarHBondContact O-N 3.01Å; E287-L291 WeakPolarHBondContact O-CB 3.41Å; E287-L291 PolarHBondContact O-N 2.71Å; E287-L291 VanDerWaalsContact O-N 3.14Å
288K56.4Low57.3Low133 Ų133112.5 Ų112.558%0.57853%0.525SS*.Hα-helixtrans-67.4-45.5173.1-166172.5-176.5179.40112.6E284 L285 A286 D292E284-K288 WeakPolarHBondContact O-CB 3.11Å; E284-K288 PolarHBondContact O-N 3.41Å; L285-K288 WeakPolarHBondContact O-CB 3.42Å; L285-K288 PolarHBondContact O-N 3.26Å; A286-K288 VanDerWaalsContact C-N 3.29Å; K288-D292 PolarHBondContact O-N 3.37Å; K288-D292 VanDerWaalsContact O-N 3.09Å
289M54.4Low57.2Low131 Ų131112.9 Ų112.965%0.64553%0.528SS*.Hα-helixtrans-79.8-34.1-178.2-71.9-158.474.200115L285 A286 L291 D292 E293L285-M289 PolarHBondContact O-N 2.81Å; A286-M289 PolarHBondContact O-N 3.29Å; M289-L291 VanDerWaalsContact C-N 3.32Å; M289-D292 PolarHBondContact O-N 2.88Å; M289-E293 PolarHBondContact O-N 3.03Å
290R60.7Low57.2Low165 Ų165114.3 Ų114.362%0.62353%0.532SS*.Hα-helixtrans-64.7-41.6169.9-81.6-166.461.4-165.6-6.9110.3A286 D292 E293 E294A286-R290 WeakPolarHBondContact O-CB 3.39Å; A286-R290 WeakPolarHBondContact O-CG 3.49Å; A286-R290 PolarHBondContact O-N 2.82Å; R290-D292 VanDerWaalsContact C-N 3.33Å; R290-D292 PolarHBondContact O-N 2.84Å; R290-E293 PolarHBondContact O-N 2.89Å; R290-E294 IonicContact CZ-OE2 3Å; R290-E294 IonicContact NE-OE2 3.25Å; R290-E294 IonicContact NH2-OE1 3.16Å; R290-E294 IonicContact NH2-OE2 2.67Å; R290-E294 PolarHBondContact NH2-OE2 2.87Å; R290-E294 WeakPolarHBondContact O-CB 3.45Å; R290-E294 PolarHBondContact O-N 2.96Å
291L55.2Low57Low114 Ų114118.1 Ų118.160%0.59755%0.547SS*.Hα-helixtrans-58.9-45.3175.3-166.568000110.4E287 M289 I295E287-L291 WeakPolarHBondContact O-CB 3.41Å; E287-L291 PolarHBondContact O-N 2.71Å; E287-L291 VanDerWaalsContact O-N 3.14Å; M289-L291 VanDerWaalsContact C-N 3.32Å; L291-I295 HydrophobicContact CG-CD1 4.11Å; L291-I295 WeakPolarHBondContact O-CB 3.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.47Å; L291-I295 WeakPolarHBondContact O-CG1 3.44Å; L291-I295 PolarHBondContact O-N 2.83Å
292D54.6Low56.7Low98 Ų98114.4 Ų114.452%0.52454%0.538SS..Hα-helixtrans-66.5-43177.3-74-23.7000115K288 M289 R290 I295 R296K288-D292 PolarHBondContact O-N 3.37Å; K288-D292 VanDerWaalsContact O-N 3.09Å; M289-D292 PolarHBondContact O-N 2.88Å; R290-D292 VanDerWaalsContact C-N 3.33Å; R290-D292 PolarHBondContact O-N 2.84Å; D292-I295 WeakPolarHBondContact O-CB 3.41Å; D292-R296 PolarHBondContact O-N 3.13Å; D292-R296 VanDerWaalsContact O-N 3.12Å
293E56.2Low56.6Low74 Ų74113.6 Ų113.635%0.34654%0.536SS..Hα-helixtrans-78.3-35.4-177.9-178.866.2-146.500112.5M289 R290 I295 R296 L297M289-E293 PolarHBondContact O-N 3.03Å; R290-E293 PolarHBondContact O-N 2.89Å; E293-I295 VanDerWaalsContact C-N 3.31Å; E293-R296 VanDerWaalsContact CD-CZ 3.49Å; E293-R296 VanDerWaalsContact CD-NH2 3.34Å; E293-R296 WeakPolarHBondContact O-CB 3.49Å; E293-R296 PolarHBondContact O-N 3.47Å; E293-R296 IonicContact OE1-CZ 2.88Å; E293-R296 IonicContact OE1-NE 3.48Å; E293-R296 IonicContact OE1-NH1 2.69Å; E293-R296 IonicContact OE1-NH2 2.91Å; E293-R296 PolarHBondContact OE1-NH2 3.13Å; E293-R296 IonicContact OE2-CZ 3.94Å; E293-R296 IonicContact OE2-NE 2.83Å; E293-R296 IonicContact OE2-NH1 2.73Å; E293-R296 PolarHBondContact OE2-NH1 2.87Å; E293-R296 IonicContact OE2-NH2 3.12Å; E293-R296 PolarHBondContact OE2-NH2 3.34Å; E293-L297 HydrophobicContact CG-CD1 4.37Å; E293-L297 PolarHBondContact O-N 3.4Å; E293-L297 VanDerWaalsContact O-N 3.08Å; E293-L297 WeakPolarHBondContact OE1-CD1 3.23Å
294E56.9Low56.3Low117 Ų117115.7 Ų115.755%0.54754%0.539SS..Hα-helixtrans-69.3-32.6172.8-157.1144.5-170.800109.9R290 R296 E298R290-E294 IonicContact CZ-OE2 3Å; R290-E294 IonicContact NE-OE2 3.25Å; R290-E294 IonicContact NH2-OE1 3.16Å; R290-E294 IonicContact NH2-OE2 2.67Å; R290-E294 PolarHBondContact NH2-OE2 2.87Å; R290-E294 WeakPolarHBondContact O-CB 3.45Å; R290-E294 PolarHBondContact O-N 2.96Å; E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.76Å; E294-E298 VanDerWaalsContact O-CB 3.28Å; E294-E298 WeakPolarHBondContact O-CB 3.48Å; E294-E298 PolarHBondContact O-N 2.93Å
295I51.2Low56.2Low94 Ų94116.3 Ų116.348%0.48254%0.542SS..Hα-helixtrans-61.9-33.2164.7-78.6167.1000112.3L291 D292 E293 N299L291-I295 HydrophobicContact CG-CD1 4.11Å; L291-I295 WeakPolarHBondContact O-CB 3.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.47Å; L291-I295 WeakPolarHBondContact O-CG1 3.44Å; L291-I295 PolarHBondContact O-N 2.83Å; D292-I295 WeakPolarHBondContact O-CB 3.41Å; E293-I295 VanDerWaalsContact C-N 3.31Å; I295-N299 PolarHBondContact O-ND2 3.35Å
296R63.5Low56.2Low149 Ų149115.9 Ų115.956%0.56254%0.535SS*.Hα-helixtrans-77.8-46-177.4-162.3-175.377.3-143.1-1.6113.5D292 E293 E294 N299D292-R296 PolarHBondContact O-N 3.13Å; D292-R296 VanDerWaalsContact O-N 3.12Å; E293-R296 VanDerWaalsContact CD-CZ 3.49Å; E293-R296 VanDerWaalsContact CD-NH2 3.34Å; E293-R296 WeakPolarHBondContact O-CB 3.49Å; E293-R296 PolarHBondContact O-N 3.47Å; E293-R296 IonicContact OE1-CZ 2.88Å; E293-R296 IonicContact OE1-NE 3.48Å; E293-R296 IonicContact OE1-NH1 2.69Å; E293-R296 IonicContact OE1-NH2 2.91Å; E293-R296 PolarHBondContact OE1-NH2 3.13Å; E293-R296 IonicContact OE2-CZ 3.94Å; E293-R296 IonicContact OE2-NE 2.83Å; E293-R296 IonicContact OE2-NH1 2.73Å; E293-R296 PolarHBondContact OE2-NH1 2.87Å; E293-R296 IonicContact OE2-NH2 3.12Å; E293-R296 PolarHBondContact OE2-NH2 3.34Å; E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.76Å; R296-N299 WeakPolarHBondContact O-CB 3.29Å; R296-N299 PolarHBondContact O-N 3.27Å
297L59.4Low55.9Low97 Ų97121.1 Ų121.151%0.50855%0.551SS.*Hα-helixtrans-74.7-30.3-175.7-74.6163.3000112.7E293 N299 E300 R301E293-L297 HydrophobicContact CG-CD1 4.37Å; E293-L297 PolarHBondContact O-N 3.4Å; E293-L297 VanDerWaalsContact O-N 3.08Å; E293-L297 WeakPolarHBondContact OE1-CD1 3.23Å; L297-N299 VanDerWaalsContact C-N 3.3Å; L297-N299 PolarHBondContact O-N 3.42Å; L297-E300 PolarHBondContact O-N 2.87Å; L297-R301 PolarHBondContact O-N 3.21Å
298E53.8Low55.8Low118 Ų118122.6 Ų122.655%0.55156%0.558SS**Hα-helixtrans-61.3-39172.2-167.465.3-167.300111.4E294 E300 R301 L302E294-E298 VanDerWaalsContact O-CB 3.28Å; E294-E298 WeakPolarHBondContact O-CB 3.48Å; E294-E298 PolarHBondContact O-N 2.93Å; E298-E300 VanDerWaalsContact C-N 3.31Å; E298-E300 PolarHBondContact O-N 3.47Å; E298-R301 PolarHBondContact O-N 2.96Å; E298-L302 PolarHBondContact O-N 2.93Å
299N56.4Low55.9Low97 Ų97120.4 Ų120.452%0.51955%0.548SS..Hα-helixtrans-62.2-30.9176.9-78.5-42.8000113.7I295 R296 L297 L302I295-N299 PolarHBondContact O-ND2 3.35Å; R296-N299 WeakPolarHBondContact O-CB 3.29Å; R296-N299 PolarHBondContact O-N 3.27Å; L297-N299 VanDerWaalsContact C-N 3.3Å; L297-N299 PolarHBondContact O-N 3.42Å; N299-L302 WeakPolarHBondContact O-CB 2.98Å
300E58.9Low56.3Low103 Ų103120.2 Ų120.248%0.48155%0.549SS..Hα-helixtrans-83-31.4-177.2-156-156.6128.800112.9L297 E298 L302 E303 R304L297-E300 PolarHBondContact O-N 2.87Å; E298-E300 VanDerWaalsContact C-N 3.31Å; E298-E300 PolarHBondContact O-N 3.47Å; E300-L302 VanDerWaalsContact C-N 3.28Å; E300-E303 PolarHBondContact O-N 3.1Å; E300-R304 PolarHBondContact O-NH1 3.45Å; E300-R304 IonicContact OE1-CZ 2.71Å; E300-R304 IonicContact OE1-NH1 3.3Å; E300-R304 PolarHBondContact OE1-NH1 2.97Å; E300-R304 IonicContact OE1-NH2 3.15Å; E300-R304 PolarHBondContact OE1-NH2 3.06Å
301R61.6Low56.4Low200 Ų200122.9 Ų122.976%0.75556%0.559SS**Hα-helixtrans-66-35.8173.3-124.7179.3-175.5-1651.4111.3L297 E298 E303L297-R301 PolarHBondContact O-N 3.21Å; E298-R301 PolarHBondContact O-N 2.96Å; R301-E303 PolarHBondContact O-N 3.48Å
302L48.8Very low56.5Low78 Ų78124 Ų12441%0.40856%0.563SS.*Hα-helixtrans-56.4-31.1174.2-112.875.5000113.9E298 N299 E300 K306E298-L302 PolarHBondContact O-N 2.93Å; N299-L302 WeakPolarHBondContact O-CB 2.98Å; E300-L302 VanDerWaalsContact C-N 3.28Å; L302-K306 WeakPolarHBondContact O-CB 3.32Å; L302-K306 PolarHBondContact O-N 3.15Å
303E53.4Low56.7Low102 Ų102122.3 Ų122.348%0.47755%0.552SS.*Hα-helixtrans-77.7-33.4-168.3-151.364.5-151.500114.1E300 R301 K306E300-E303 PolarHBondContact O-N 3.1Å; R301-E303 PolarHBondContact O-N 3.48Å; E303-K306 VanDerWaalsContact CD-CD 3.44Å; E303-K306 HydrophobicContact CG-CD 4.45Å; E303-K306 WeakPolarHBondContact O-CB 3.07Å; E303-K306 PolarHBondContact O-N 2.89Å; E303-K306 VanDerWaalsContact OE1-CD 3.24Å; E303-K306 WeakPolarHBondContact OE1-CD 3.36Å; E303-K306 IonicContact OE1-NZ 3.55Å; E303-K306 PolarHBondContact OE1-NZ 3.41Å; E303-K306 WeakPolarHBondContact OE2-CD 3.4Å; E303-K306 IonicContact OE2-NZ 2.79Å; E303-K306 PolarHBondContact OE2-NZ 2.86Å
304R53.4Low57.3Low169 Ų169125.8 Ų125.864%0.63857%0.566SS**Hα-helixtrans-78.6-35177.7-63.7-178.6-162.878.50.1111.9E300 K306E300-R304 PolarHBondContact O-NH1 3.45Å; E300-R304 IonicContact OE1-CZ 2.71Å; E300-R304 IonicContact OE1-NH1 3.3Å; E300-R304 PolarHBondContact OE1-NH1 2.97Å; E300-R304 IonicContact OE1-NH2 3.15Å; E300-R304 PolarHBondContact OE1-NH2 3.06Å; R304-K306 PolarHBondContact O-N 3.31Å
305E55.6Low57.6Low108 Ų108127.3 Ų127.351%0.50557%0.573SS.*Hα-helixtrans-59.4-35.3170-119.5-171.5165.500111.7Q307 K309E305-Q307 VanDerWaalsContact C-N 3.35Å; E305-Q307 PolarHBondContact O-N 3Å; E305-K309 HydrophobicContact CB-CD 4.24Å; E305-K309 VanDerWaalsContact O-CB 3.25Å; E305-K309 WeakPolarHBondContact O-CB 3.4Å; E305-K309 WeakPolarHBondContact O-CG 3.48Å; E305-K309 PolarHBondContact O-N 2.69Å; E305-K309 IonicContact OE1-NZ 2.87Å; E305-K309 WeakPolarHBondContact OE2-CE 3.5Å; E305-K309 IonicContact OE2-NZ 2.78Å; E305-K309 PolarHBondContact OE2-NZ 2.76Å
306K55Low58.3Low101 Ų101130.3 Ų130.344%0.43958%0.578SS.*Hα-helixtrans-57.4-35-174.7-127.3168.5173.8-175.70114.7L302 E303 R304 L310L302-K306 WeakPolarHBondContact O-CB 3.32Å; L302-K306 PolarHBondContact O-N 3.15Å; E303-K306 VanDerWaalsContact CD-CD 3.44Å; E303-K306 HydrophobicContact CG-CD 4.45Å; E303-K306 WeakPolarHBondContact O-CB 3.07Å; E303-K306 PolarHBondContact O-N 2.89Å; E303-K306 VanDerWaalsContact OE1-CD 3.24Å; E303-K306 WeakPolarHBondContact OE1-CD 3.36Å; E303-K306 IonicContact OE1-NZ 3.55Å; E303-K306 PolarHBondContact OE1-NZ 3.41Å; E303-K306 WeakPolarHBondContact OE2-CD 3.4Å; E303-K306 IonicContact OE2-NZ 2.79Å; E303-K306 PolarHBondContact OE2-NZ 2.86Å; R304-K306 PolarHBondContact O-N 3.31Å; K306-L310 PolarHBondContact O-N 2.86Å
307Q51.6Low58.4Low161 Ų161127.9 Ų127.975%0.75257%0.573SS**Hα-helixtrans-81.5-40.6-176.6-72-172.5-400113.7E305 L310E305-Q307 VanDerWaalsContact C-N 3.35Å; E305-Q307 PolarHBondContact O-N 3Å; Q307-L310 VanDerWaalsContact O-CB 3.22Å; Q307-L310 WeakPolarHBondContact O-CB 3.39Å; Q307-L310 PolarHBondContact O-N 3.41Å
308Q54.4Low58.6Low165 Ų165130.1 Ų130.177%0.77158%0.581SS**Hα-helixtrans-73.4-31.5171.8-95.8179.7-18.800111.7
309K58.1Low59.4Low87 Ų87127.4 Ų127.438%0.37858%0.579SS.*Hα-helixtrans-50.6-59.2161-78.8168.9-179.6170.90109.1E305 R311 M312 E313E305-K309 HydrophobicContact CB-CD 4.24Å; E305-K309 VanDerWaalsContact O-CB 3.25Å; E305-K309 WeakPolarHBondContact O-CB 3.4Å; E305-K309 WeakPolarHBondContact O-CG 3.48Å; E305-K309 PolarHBondContact O-N 2.69Å; E305-K309 IonicContact OE1-NZ 2.87Å; E305-K309 WeakPolarHBondContact OE2-CE 3.5Å; E305-K309 IonicContact OE2-NZ 2.78Å; E305-K309 PolarHBondContact OE2-NZ 2.76Å; K309-R311 PolarHBondContact O-N 3.4Å; K309-M312 PolarHBondContact O-N 3.29Å; K309-M312 VanDerWaalsContact O-N 3.12Å; K309-E313 WeakPolarHBondContact O-CB 3.16Å; K309-E313 PolarHBondContact O-N 3.07Å
310L62.8Low59.9Low127 Ų127124.4 Ų124.467%0.66557%0.568SS**Hα-helixtrans-41.2-34.1-170.8-148.290.8000117.8K306 Q307 K314K306-L310 PolarHBondContact O-N 2.86Å; Q307-L310 VanDerWaalsContact O-CB 3.22Å; Q307-L310 WeakPolarHBondContact O-CB 3.39Å; Q307-L310 PolarHBondContact O-N 3.41Å; L310-K314 PolarHBondContact O-N 3.15Å
311R63.8Low60.3Low222 Ų222125.5 Ų125.584%0.83857%0.573SS**Hα-helixtrans-87.3-48.2-177.8-145.6-177.9-161-1746.1112.6K309 E313 K314K309-R311 PolarHBondContact O-N 3.4Å; R311-E313 PolarHBondContact O-N 3.18Å; R311-K314 PolarHBondContact O-N 3.08Å; R311-K314 VanDerWaalsContact O-N 3.1Å
312M56.8Low60.6Low136 Ų136119 Ų11967%0.6756%0.561SS**Hα-helixtrans-61.1-34167.2-83.9-168.9-74.200110.6K309 K314 E315 R316K309-M312 PolarHBondContact O-N 3.29Å; K309-M312 VanDerWaalsContact O-N 3.12Å; M312-K314 PolarHBondContact O-N 2.93Å; M312-E315 PolarHBondContact O-N 3.49Å; M312-R316 WeakPolarHBondContact O-CA 3.4Å; M312-R316 WeakPolarHBondContact O-CB 3.32Å; M312-R316 PolarHBondContact O-N 3.02Å
313E59.4Low61.5Low64 Ų64121 Ų12130%0.29957%0.569SS.*Hα-helixtrans-60-24.9175.2-158.668.3-167.400111.9K309 R311 R316 Q317K309-E313 WeakPolarHBondContact O-CB 3.16Å; K309-E313 PolarHBondContact O-N 3.07Å; R311-E313 PolarHBondContact O-N 3.18Å; E313-R316 IonicContact OE2-NH1 2.79Å; E313-R316 PolarHBondContact OE2-NH1 3.38Å; E313-Q317 WeakPolarHBondContact O-CA 3.5Å; E313-Q317 WeakPolarHBondContact O-CB 3.29Å; E313-Q317 VanDerWaalsContact O-CD 3.24Å; E313-Q317 WeakPolarHBondContact O-CG 3.27Å; E313-Q317 PolarHBondContact O-N 3.01Å
314K68.3Low62.3Low147 Ų147123.3 Ų123.364%0.63958%0.577SS**Hα-helixtrans-82.2-37.2-179.2-152177.1-172.3-177.80113.2L310 R311 M312 Q317 Q318L310-K314 PolarHBondContact O-N 3.15Å; R311-K314 PolarHBondContact O-N 3.08Å; R311-K314 VanDerWaalsContact O-N 3.1Å; M312-K314 PolarHBondContact O-N 2.93Å; K314-Q317 WeakPolarHBondContact O-CB 3.24Å; K314-Q317 PolarHBondContact O-N 2.92Å; K314-Q318 PolarHBondContact O-N 3.03Å
315E64.5Low62.9Low149 Ų149122.4 Ų122.470%0.69658%0.58SS**Hα-helixtrans-76.9-40.9173.6-164.4166.4-139.900110.2M312 Q317 Q318 A319M312-E315 PolarHBondContact O-N 3.49Å; E315-Q317 VanDerWaalsContact C-N 3.25Å; E315-Q317 PolarHBondContact O-N 2.8Å; E315-Q318 PolarHBondContact O-N 3.33Å; E315-A319 PolarHBondContact O-N 3.33Å
316R64.5Low63.7Low157 Ų157119.3 Ų119.359%0.59257%0.573SS**Hα-helixtrans-61.2-28.8165.2-170.9-174.3-174.2-157.65.7112.3M312 E313 A320M312-R316 WeakPolarHBondContact O-CA 3.4Å; M312-R316 WeakPolarHBondContact O-CB 3.32Å; M312-R316 PolarHBondContact O-N 3.02Å; E313-R316 IonicContact OE2-NH1 2.79Å; E313-R316 PolarHBondContact OE2-NH1 3.38Å; R316-A320 WeakPolarHBondContact O-CA 3.45Å; R316-A320 WeakPolarHBondContact O-CB 3.4Å; R316-A320 PolarHBondContact O-N 3.02Å
317Q66.6Low64.4Low97 Ų97117.6 Ų117.645%0.45357%0.567SS.*Hα-helixtrans-68.7-42.6173.1-93.7158.616.400111.2E313 K314 E315 A320 E321E313-Q317 WeakPolarHBondContact O-CA 3.5Å; E313-Q317 WeakPolarHBondContact O-CB 3.29Å; E313-Q317 VanDerWaalsContact O-CD 3.24Å; E313-Q317 WeakPolarHBondContact O-CG 3.27Å; E313-Q317 PolarHBondContact O-N 3.01Å; K314-Q317 WeakPolarHBondContact O-CB 3.24Å; K314-Q317 PolarHBondContact O-N 2.92Å; E315-Q317 VanDerWaalsContact C-N 3.25Å; E315-Q317 PolarHBondContact O-N 2.8Å; Q317-A320 CarbonylContact O-C 3.47Å; Q317-A320 PolarHBondContact O-N 3.32Å; Q317-E321 VanDerWaalsContact O-CB 3.27Å; Q317-E321 WeakPolarHBondContact O-CB 3.5Å; Q317-E321 WeakPolarHBondContact O-CG 3.46Å; Q317-E321 PolarHBondContact O-N 3.21Å
318Q62.3Low65.3Low145 Ų145115.1 Ų115.168%0.67856%0.558SS**Hα-helixtrans-67-44.1176.2-70.4-175.7-16.300111.6K314 E315 E321 A322K314-Q318 PolarHBondContact O-N 3.03Å; E315-Q318 PolarHBondContact O-N 3.33Å; Q318-E321 PolarHBondContact O-N 2.93Å; Q318-A322 PolarHBondContact O-N 2.76Å; Q318-A322 VanDerWaalsContact O-N 3.08Å
319A70.8Confident65.9Low61 Ų61110.6 Ų110.650%0.50455%0.545SS..Hα-helixtrans-62.2-43.2172.800000111.7E315 E321 A322 E323E315-A319 PolarHBondContact O-N 3.33Å; A319-E321 VanDerWaalsContact C-N 3.31Å; A319-E321 PolarHBondContact O-N 2.95Å; A319-A322 PolarHBondContact O-N 2.96Å; A319-E323 VanDerWaalsContact O-CB 3.23Å; A319-E323 WeakPolarHBondContact O-CB 3.32Å; A319-E323 PolarHBondContact O-N 3.49Å
320A66.3Low66.7Low34 Ų34112.7 Ų112.728%0.28155%0.55SS..Hα-helixtrans-76.7-10176.900000113.9R316 Q317 K324R316-A320 WeakPolarHBondContact O-CA 3.45Å; R316-A320 WeakPolarHBondContact O-CB 3.4Å; R316-A320 PolarHBondContact O-N 3.02Å; Q317-A320 CarbonylContact O-C 3.47Å; Q317-A320 PolarHBondContact O-N 3.32Å; A320-K324 WeakPolarHBondContact O-CA 3.38Å; A320-K324 WeakPolarHBondContact O-CB 3.4Å; A320-K324 WeakPolarHBondContact O-CG 3.24Å; A320-K324 PolarHBondContact O-N 3.14Å
321E67.3Low66.9Low125 Ų125111.4 Ų111.458%0.58454%0.541SS*.Hα-helixtrans-84.8-42.7169-89.4-175.1139.500110.8Q317 Q318 A319 K324 Q325Q317-E321 VanDerWaalsContact O-CB 3.27Å; Q317-E321 WeakPolarHBondContact O-CB 3.5Å; Q317-E321 WeakPolarHBondContact O-CG 3.46Å; Q317-E321 PolarHBondContact O-N 3.21Å; Q318-E321 PolarHBondContact O-N 2.93Å; A319-E321 VanDerWaalsContact C-N 3.31Å; A319-E321 PolarHBondContact O-N 2.95Å; E321-K324 CarbonylContact O-C 3.5Å; E321-K324 PolarHBondContact O-N 3.45Å; E321-Q325 WeakPolarHBondContact O-CG 3.31Å; E321-Q325 PolarHBondContact O-N 2.71Å
322A69.5Low67Low63 Ų63105.1 Ų105.152%0.52152%0.523SS..Hα-helixtrans-63.4-43.4168.600000111Q318 A319 Q325 A326Q318-A322 PolarHBondContact O-N 2.76Å; Q318-A322 VanDerWaalsContact O-N 3.08Å; A319-A322 PolarHBondContact O-N 2.96Å; A322-Q325 PolarHBondContact O-N 3.45Å; A322-A326 PolarHBondContact O-N 3.06Å
323E67.2Low67.3Low122 Ų122104.1 Ų104.157%0.5752%0.517SS*.Hα-helixtrans-65.6-41.7171.6-165.8172.3-151.500110.6A319 Q325 A326 E327A319-E323 VanDerWaalsContact O-CB 3.23Å; A319-E323 WeakPolarHBondContact O-CB 3.32Å; A319-E323 PolarHBondContact O-N 3.49Å; E323-Q325 VanDerWaalsContact C-N 3.26Å; E323-Q325 PolarHBondContact O-N 3.38Å; E323-A326 CarbonylContact O-C 3.35Å; E323-A326 PolarHBondContact O-N 2.93Å; E323-E327 WeakPolarHBondContact O-CA 3.44Å; E323-E327 WeakPolarHBondContact O-CB 3.45Å; E323-E327 PolarHBondContact O-N 3.02Å
324K69.7Low67.9Low150 Ų150103.3 Ų103.365%0.65252%0.521SS*.Hα-helixtrans-60.8-29.3170.4-92.3175.8176.7176.90113.2A320 E321 L328A320-K324 WeakPolarHBondContact O-CA 3.38Å; A320-K324 WeakPolarHBondContact O-CB 3.4Å; A320-K324 WeakPolarHBondContact O-CG 3.24Å; A320-K324 PolarHBondContact O-N 3.14Å; E321-K324 CarbonylContact O-C 3.5Å; E321-K324 PolarHBondContact O-N 3.45Å; K324-L328 WeakPolarHBondContact O-CA 3.26Å; K324-L328 WeakPolarHBondContact O-CB 3.5Å; K324-L328 PolarHBondContact O-N 2.88Å
325Q65.2Low67.8Low150 Ų150101.7 Ų101.770%0.70152%0.516SS*.Hα-helixtrans-75.4-43.4175.5-77.6-176.7-5.700111.4E321 A322 E323 E327 L328 S329E321-Q325 WeakPolarHBondContact O-CG 3.31Å; E321-Q325 PolarHBondContact O-N 2.71Å; A322-Q325 PolarHBondContact O-N 3.45Å; E323-Q325 VanDerWaalsContact C-N 3.26Å; E323-Q325 PolarHBondContact O-N 3.38Å; Q325-E327 VanDerWaalsContact C-N 3.31Å; Q325-L328 PolarHBondContact O-N 3.4Å; Q325-S329 PolarHBondContact O-N 3.5Å
326A73.3Confident68.1Low42 Ų42102 Ų10235%0.34751%0.511SS..Hα-helixtrans-67.9-32173.200000112.7A322 E323 S329 R330A322-A326 PolarHBondContact O-N 3.06Å; E323-A326 CarbonylContact O-C 3.35Å; E323-A326 PolarHBondContact O-N 2.93Å; A326-S329 PolarHBondContact O-OG 3.4Å; A326-R330 WeakPolarHBondContact O-CB 3.22Å; A326-R330 WeakPolarHBondContact O-CG 3.49Å; A326-R330 PolarHBondContact O-N 2.55Å
327E68.8Low68.2Low66 Ų6697.8 Ų97.831%0.30850%0.498SS..Hα-helixtrans-84.8-28.9178.4-164.260.4-155.100111E323 Q325 R330 Q331E323-E327 WeakPolarHBondContact O-CA 3.44Å; E323-E327 WeakPolarHBondContact O-CB 3.45Å; E323-E327 PolarHBondContact O-N 3.02Å; Q325-E327 VanDerWaalsContact C-N 3.31Å; E327-R330 CarbonylContact O-C 3.54Å; E327-R330 IonicContact OE2-CZ 3.59Å; E327-R330 IonicContact OE2-NE 2.68Å; E327-R330 PolarHBondContact OE2-NE 3.05Å; E327-R330 IonicContact OE2-NH2 3.85Å; E327-R330 PolarHBondContact OE2-NH2 2.7Å; E327-Q331 HydrophobicContact CG-CG 4.32Å; E327-Q331 WeakPolarHBondContact O-CA 3.48Å; E327-Q331 WeakPolarHBondContact O-CB 3.13Å; E327-Q331 WeakPolarHBondContact O-CG 3.24Å; E327-Q331 PolarHBondContact O-N 2.9Å
328L71.6Confident68.1Low109 Ų10998.6 Ų98.657%0.57150%0.502SS*.Hα-helixtrans-68.5-37.5166.5-179.368.7000110K324 Q325 Q331 L332K324-L328 WeakPolarHBondContact O-CA 3.26Å; K324-L328 WeakPolarHBondContact O-CB 3.5Å; K324-L328 PolarHBondContact O-N 2.88Å; Q325-L328 PolarHBondContact O-N 3.4Å; L328-Q331 CarbonylContact O-C 3.43Å; L328-Q331 PolarHBondContact O-N 3.25Å; L328-L332 VanDerWaalsContact O-CB 3.25Å; L328-L332 WeakPolarHBondContact O-CB 3.42Å; L328-L332 PolarHBondContact O-N 3.06Å
329S67.4Low68.5Low70 Ų70100 Ų10049%0.4950%0.501SS..Hα-helixtrans-69.1-4517382.60000111.2Q325 A326 Q331 L332 E333Q325-S329 PolarHBondContact O-N 3.5Å; A326-S329 PolarHBondContact O-OG 3.4Å; S329-Q331 VanDerWaalsContact C-N 3.31Å; S329-Q331 PolarHBondContact O-N 3.11Å; S329-L332 PolarHBondContact O-N 2.91Å; S329-E333 WeakPolarHBondContact O-CB 3.36Å; S329-E333 PolarHBondContact O-N 3.22Å
330R74.5Confident68.5Low130 Ų130104.5 Ų104.549%0.49151%0.505SS..Hα-helixtrans-62.5-31.5171.1-77.9-169.7-65.6-113.60.1113.3A326 E327 A334A326-R330 WeakPolarHBondContact O-CB 3.22Å; A326-R330 WeakPolarHBondContact O-CG 3.49Å; A326-R330 PolarHBondContact O-N 2.55Å; E327-R330 CarbonylContact O-C 3.54Å; E327-R330 IonicContact OE2-CZ 3.59Å; E327-R330 IonicContact OE2-NE 2.68Å; E327-R330 PolarHBondContact OE2-NE 3.05Å; E327-R330 IonicContact OE2-NH2 3.85Å; E327-R330 PolarHBondContact OE2-NH2 2.7Å; R330-A334 WeakPolarHBondContact O-CA 3.4Å; R330-A334 WeakPolarHBondContact O-CB 3.33Å; R330-A334 PolarHBondContact O-N 3.4Å
331Q66.5Low68.8Low101 Ų101110.8 Ų110.847%0.47252%0.521SS..Hα-helixtrans-83.8-24.6175.9-76.217719.600112.5E327 L328 S329 Q335E327-Q331 HydrophobicContact CG-CG 4.32Å; E327-Q331 WeakPolarHBondContact O-CA 3.48Å; E327-Q331 WeakPolarHBondContact O-CB 3.13Å; E327-Q331 WeakPolarHBondContact O-CG 3.24Å; E327-Q331 PolarHBondContact O-N 2.9Å; L328-Q331 CarbonylContact O-C 3.43Å; L328-Q331 PolarHBondContact O-N 3.25Å; S329-Q331 VanDerWaalsContact C-N 3.31Å; S329-Q331 PolarHBondContact O-N 3.11Å; Q331-Q335 WeakPolarHBondContact O-CA 3.38Å; Q331-Q335 WeakPolarHBondContact O-CB 3.12Å; Q331-Q335 WeakPolarHBondContact O-CG 3.41Å; Q331-Q335 PolarHBondContact O-N 2.99Å
332L66Low68.9Low90 Ų90109.9 Ų109.947%0.47152%0.517SS..Hα-helixtrans-71.8-41.6168.7-151.783.3000109.4L328 S329 Q335 R336L328-L332 VanDerWaalsContact O-CB 3.25Å; L328-L332 WeakPolarHBondContact O-CB 3.42Å; L328-L332 PolarHBondContact O-N 3.06Å; S329-L332 PolarHBondContact O-N 2.91Å; L332-Q335 PolarHBondContact O-N 3.36Å; L332-R336 WeakPolarHBondContact O-CB 3.38Å; L332-R336 VanDerWaalsContact O-CG 3.24Å; L332-R336 WeakPolarHBondContact O-CG 3.16Å; L332-R336 PolarHBondContact O-N 2.96Å
333E63.7Low69.1Low114 Ų114109 Ų10953%0.53351%0.51SS..Hα-helixtrans-72-39.3176.3-152.961.9-161.900111.5S329 R336 E337S329-E333 WeakPolarHBondContact O-CB 3.36Å; S329-E333 PolarHBondContact O-N 3.22Å; E333-R336 WeakPolarHBondContact O-CB 3.34Å; E333-R336 PolarHBondContact O-N 3.41Å; E333-R336 IonicContact OE2-NH1 3.08Å; E333-R336 PolarHBondContact OE2-NH1 3.29Å; E333-E337 WeakPolarHBondContact O-CB 3.47Å; E333-E337 PolarHBondContact O-N 2.98Å
334A70.7Confident69.5Low48 Ų48106.8 Ų106.840%0.39751%0.505SS..Hα-helixtrans-75.2-27.6172.100000112.5R330 Q338R330-A334 WeakPolarHBondContact O-CA 3.4Å; R330-A334 WeakPolarHBondContact O-CB 3.33Å; R330-A334 PolarHBondContact O-N 3.4Å; A334-Q338 WeakPolarHBondContact O-CA 3.37Å; A334-Q338 WeakPolarHBondContact O-CB 3.38Å; A334-Q338 PolarHBondContact O-N 3.48Å
335Q68.3Low69.6Low112 Ų112105.5 Ų105.552%0.52350%0.501SS..Hα-helixtrans-70.6-37166.8-86.9-16715.200110.8Q331 L332 R339Q331-Q335 WeakPolarHBondContact O-CA 3.38Å; Q331-Q335 WeakPolarHBondContact O-CB 3.12Å; Q331-Q335 WeakPolarHBondContact O-CG 3.41Å; Q331-Q335 PolarHBondContact O-N 2.99Å; L332-Q335 PolarHBondContact O-N 3.36Å; Q335-R339 WeakPolarHBondContact O-CB 3.2Å; Q335-R339 VanDerWaalsContact O-CG 3.24Å; Q335-R339 WeakPolarHBondContact O-CG 3.42Å; Q335-R339 PolarHBondContact O-N 3.18Å
336R70.1Confident69.9Low155 Ų155105.2 Ų105.259%0.58550%0.499SS*.Hα-helixtrans-62.3-50.1171.5-79.8168.6170.8178.2-3.5110.1L332 E333 Q338 R339 R340L332-R336 WeakPolarHBondContact O-CB 3.38Å; L332-R336 VanDerWaalsContact O-CG 3.24Å; L332-R336 WeakPolarHBondContact O-CG 3.16Å; L332-R336 PolarHBondContact O-N 2.96Å; E333-R336 WeakPolarHBondContact O-CB 3.34Å; E333-R336 PolarHBondContact O-N 3.41Å; E333-R336 IonicContact OE2-NH1 3.08Å; E333-R336 PolarHBondContact OE2-NH1 3.29Å; R336-Q338 PolarHBondContact O-N 3.11Å; R336-R339 PolarHBondContact O-N 2.84Å; R336-R340 WeakPolarHBondContact O-CB 3.19Å; R336-R340 PolarHBondContact O-N 2.84Å
337E66Low69.9Low70 Ų70112.6 Ų112.633%0.32752%0.518SS..Hα-helixtrans-71.8-27.4179.7-168.858.7-163.900112.8E333 R340 R341E333-E337 WeakPolarHBondContact O-CB 3.47Å; E333-E337 PolarHBondContact O-N 2.98Å; E337-R340 CarbonylContact O-C 3.31Å; E337-R340 WeakPolarHBondContact O-CB 3.35Å; E337-R340 PolarHBondContact O-N 3.02Å; E337-R340 IonicContact OE1-CZ 3.99Å; E337-R340 IonicContact OE1-NE 3.91Å; E337-R340 PolarHBondContact OE1-NE 3.24Å; E337-R340 IonicContact OE1-NH2 2.79Å; E337-R340 PolarHBondContact OE1-NH2 3.4Å; E337-R340 IonicContact OE2-CZ 2.91Å; E337-R340 VanDerWaalsContact OE2-CZ 3.31Å; E337-R340 IonicContact OE2-NE 3.4Å; E337-R340 PolarHBondContact OE2-NE 3.28Å; E337-R340 IonicContact OE2-NH2 3.54Å; E337-R340 PolarHBondContact OE2-NH2 3.07Å; E337-R341 WeakPolarHBondContact O-CB 3.36Å; E337-R341 VanDerWaalsContact O-CG 3.26Å; E337-R341 WeakPolarHBondContact O-CG 3.3Å; E337-R341 PolarHBondContact O-N 3.43Å
338Q65.6Low69.9Low114 Ų114115 Ų11553%0.53353%0.531SS..Hα-helixtrans-84.4-30.1175.3-170.4159.6-21.400112A334 R336 R340 Q342A334-Q338 WeakPolarHBondContact O-CA 3.37Å; A334-Q338 WeakPolarHBondContact O-CB 3.38Å; A334-Q338 PolarHBondContact O-N 3.48Å; R336-Q338 PolarHBondContact O-N 3.11Å; Q338-R340 VanDerWaalsContact C-N 3.29Å; Q338-Q342 WeakPolarHBondContact O-CB 3.24Å; Q338-Q342 VanDerWaalsContact O-CG 3.23Å; Q338-Q342 WeakPolarHBondContact O-CG 3.18Å; Q338-Q342 PolarHBondContact O-N 3.27Å
339R70.5Confident70.1Confident175 Ų175115.7 Ų115.766%0.6653%0.529SS*.Hα-helixtrans-64.8-35.6159.6-76.6-177.2-172-173.75.7110.5Q335 R336 A343Q335-R339 WeakPolarHBondContact O-CB 3.2Å; Q335-R339 VanDerWaalsContact O-CG 3.24Å; Q335-R339 WeakPolarHBondContact O-CG 3.42Å; Q335-R339 PolarHBondContact O-N 3.18Å; R336-R339 PolarHBondContact O-N 2.84Å; R339-A343 WeakPolarHBondContact O-CB 3.42Å; R339-A343 PolarHBondContact O-N 3.48Å
340R70.2Confident70.5Confident155 Ų155115.2 Ų115.259%0.58553%0.53SS*.Hα-helixtrans-68.4-43.1175-144.917268.5116.66.8111.2R336 E337 Q338 A343 V344R336-R340 WeakPolarHBondContact O-CB 3.19Å; R336-R340 PolarHBondContact O-N 2.84Å; E337-R340 CarbonylContact O-C 3.31Å; E337-R340 WeakPolarHBondContact O-CB 3.35Å; E337-R340 PolarHBondContact O-N 3.02Å; E337-R340 IonicContact OE1-CZ 3.99Å; E337-R340 IonicContact OE1-NE 3.91Å; E337-R340 PolarHBondContact OE1-NE 3.24Å; E337-R340 IonicContact OE1-NH2 2.79Å; E337-R340 PolarHBondContact OE1-NH2 3.4Å; E337-R340 IonicContact OE2-CZ 2.91Å; E337-R340 VanDerWaalsContact OE2-CZ 3.31Å; E337-R340 IonicContact OE2-NE 3.4Å; E337-R340 PolarHBondContact OE2-NE 3.28Å; E337-R340 IonicContact OE2-NH2 3.54Å; E337-R340 PolarHBondContact OE2-NH2 3.07Å; Q338-R340 VanDerWaalsContact C-N 3.29Å; R340-A343 PolarHBondContact O-N 3.07Å; R340-V344 VanDerWaalsContact O-CB 3.27Å; R340-V344 WeakPolarHBondContact O-CB 3.32Å; R340-V344 WeakPolarHBondContact O-CG2 3.36Å; R340-V344 PolarHBondContact O-N 2.84Å
341R72.1Confident70.5Confident166 Ų166111.4 Ų111.463%0.62653%0.526SS*.Hα-helixtrans-65.2-45.1172.7-74.4173.1-177.7-169.90.4111.7E337 V344 E345E337-R341 WeakPolarHBondContact O-CB 3.36Å; E337-R341 VanDerWaalsContact O-CG 3.26Å; E337-R341 WeakPolarHBondContact O-CG 3.3Å; E337-R341 PolarHBondContact O-N 3.43Å; R341-V344 CarbonylContact O-C 3.57Å; R341-V344 PolarHBondContact O-N 3.22Å; R341-E345 WeakPolarHBondContact O-CA 3.42Å; R341-E345 WeakPolarHBondContact O-CB 3.25Å; R341-E345 PolarHBondContact O-N 2.94Å
342Q69.8Low70.9Confident105 Ų105113.6 Ų113.649%0.49153%0.53SS..Hα-helixtrans-66.1-35.8174.7-76.1177.2-14.800112Q338 E345 Q346Q338-Q342 WeakPolarHBondContact O-CB 3.24Å; Q338-Q342 VanDerWaalsContact O-CG 3.23Å; Q338-Q342 WeakPolarHBondContact O-CG 3.18Å; Q338-Q342 PolarHBondContact O-N 3.27Å; Q342-E345 PolarHBondContact O-N 2.83Å; Q342-Q346 WeakPolarHBondContact O-CB 3.32Å; Q342-Q346 VanDerWaalsContact O-CG 3.25Å; Q342-Q346 WeakPolarHBondContact O-CG 3.38Å; Q342-Q346 PolarHBondContact O-N 3.32Å
343A74.1Confident71.2Confident46 Ų46112.6 Ų112.638%0.3853%0.525SS..Hα-helixtrans-71.9-36.3173.800000112R339 R340 R347R339-A343 WeakPolarHBondContact O-CB 3.42Å; R339-A343 PolarHBondContact O-N 3.48Å; R340-A343 PolarHBondContact O-N 3.07Å; A343-R347 WeakPolarHBondContact O-CB 3.01Å; A343-R347 WeakPolarHBondContact O-CG 3.49Å; A343-R347 PolarHBondContact O-N 2.88Å
344V74.4Confident71.7Confident75 Ų75111.5 Ų111.546%0.45552%0.522SS..Hα-helixtrans-69.4-36.5171.7166.80000110.8R340 R341 R347 M348R340-V344 VanDerWaalsContact O-CB 3.27Å; R340-V344 WeakPolarHBondContact O-CB 3.32Å; R340-V344 WeakPolarHBondContact O-CG2 3.36Å; R340-V344 PolarHBondContact O-N 2.84Å; R341-V344 CarbonylContact O-C 3.57Å; R341-V344 PolarHBondContact O-N 3.22Å; V344-R347 CarbonylContact O-C 3.56Å; V344-R347 PolarHBondContact O-N 3.25Å; V344-M348 HydrophobicContact CG1-CG 4.25Å; V344-M348 VanDerWaalsContact O-CB 3.23Å; V344-M348 WeakPolarHBondContact O-CB 3.21Å; V344-M348 WeakPolarHBondContact O-CG 3.14Å; V344-M348 PolarHBondContact O-N 3.28Å
345E73.1Confident71.7Confident122 Ų122113 Ų11357%0.5752%0.521SS*.Hα-helixtrans-78-38.4179.4-175.4160.4-158.200111.8R341 Q342 M348 K349R341-E345 WeakPolarHBondContact O-CA 3.42Å; R341-E345 WeakPolarHBondContact O-CB 3.25Å; R341-E345 PolarHBondContact O-N 2.94Å; Q342-E345 PolarHBondContact O-N 2.83Å; E345-M348 CarbonylContact O-C 3.55Å; E345-M348 PolarHBondContact O-N 3.34Å; E345-K349 WeakPolarHBondContact O-CB 3.34Å; E345-K349 PolarHBondContact O-N 3.34Å
346Q71.6Confident71.8Confident144 Ų144113.6 Ų113.667%0.67352%0.522SS*.Hα-helixtrans-63.9-40166.4-76.5-178.5-5.400110.9Q342 K349 A350Q342-Q346 WeakPolarHBondContact O-CB 3.32Å; Q342-Q346 VanDerWaalsContact O-CG 3.25Å; Q342-Q346 WeakPolarHBondContact O-CG 3.38Å; Q342-Q346 PolarHBondContact O-N 3.32Å; Q346-K349 PolarHBondContact O-N 3.38Å; Q346-A350 WeakPolarHBondContact O-CB 3.27Å; Q346-A350 PolarHBondContact O-N 3.24Å
347R73.7Confident71.9Confident198 Ų198112.6 Ų112.675%0.74752%0.524SS*.Hα-helixtrans-65.8-37.8171-81.2176.8172.9-178.5-1.7112.6A343 V344 A351A343-R347 WeakPolarHBondContact O-CB 3.01Å; A343-R347 WeakPolarHBondContact O-CG 3.49Å; A343-R347 PolarHBondContact O-N 2.88Å; V344-R347 CarbonylContact O-C 3.56Å; V344-R347 PolarHBondContact O-N 3.25Å; R347-A351 WeakPolarHBondContact O-CA 3.47Å; R347-A351 WeakPolarHBondContact O-CB 3.32Å; R347-A351 PolarHBondContact O-N 3.38Å
348M68.2Low72.1Confident115 Ų115116 Ų11657%0.56753%0.534SS*.Hα-helixtrans-71.9-32.2176.2-78-100.7-154.100112.1V344 E345 R352V344-M348 HydrophobicContact CG1-CG 4.25Å; V344-M348 VanDerWaalsContact O-CB 3.23Å; V344-M348 WeakPolarHBondContact O-CB 3.21Å; V344-M348 WeakPolarHBondContact O-CG 3.14Å; V344-M348 PolarHBondContact O-N 3.28Å; E345-M348 CarbonylContact O-C 3.55Å; E345-M348 PolarHBondContact O-N 3.34Å; M348-R352 VanDerWaalsContact O-CB 3.3Å; M348-R352 WeakPolarHBondContact O-CB 3.08Å; M348-R352 VanDerWaalsContact O-CG 3.27Å; M348-R352 WeakPolarHBondContact O-CG 3.47Å; M348-R352 PolarHBondContact O-N 3.06Å; M348-R352 PolarHBondContact O-NE 3.09Å; M348-R352 VanDerWaalsContact O-NE 3.13Å
349K76.2Confident72.4Confident125 Ų125116.1 Ų116.154%0.54353%0.534SS..Hα-helixtrans-76-49.7174.9-171.2-179.6178-174.10109.8E345 Q346 A351 R352 D353E345-K349 WeakPolarHBondContact O-CB 3.34Å; E345-K349 PolarHBondContact O-N 3.34Å; Q346-K349 PolarHBondContact O-N 3.38Å; K349-A351 VanDerWaalsContact C-N 3.28Å; K349-A351 PolarHBondContact O-N 2.84Å; K349-R352 CarbonylContact O-C 3.6Å; K349-R352 PolarHBondContact O-N 2.83Å; K349-R352 VanDerWaalsContact O-N 3.08Å; K349-D353 WeakPolarHBondContact O-CB 3.33Å; K349-D353 VanDerWaalsContact O-CG 3.27Å; K349-D353 PolarHBondContact O-N 2.84Å
350A76.2Confident72.4Confident60 Ų60113.3 Ų113.350%0.49653%0.531SS..Hα-helixtrans-59.7-36.4172.100000112.2Q346 L354Q346-A350 WeakPolarHBondContact O-CB 3.27Å; Q346-A350 PolarHBondContact O-N 3.24Å; A350-L354 WeakPolarHBondContact O-CB 3.16Å; A350-L354 PolarHBondContact O-N 3.09Å
351A74.4Confident72.5Confident50 Ų50110 Ų11041%0.41352%0.522SS..Hα-helixtrans-68.5-42172.100000111.7R347 K349 D353 E355R347-A351 WeakPolarHBondContact O-CA 3.47Å; R347-A351 WeakPolarHBondContact O-CB 3.32Å; R347-A351 PolarHBondContact O-N 3.38Å; K349-A351 VanDerWaalsContact C-N 3.28Å; K349-A351 PolarHBondContact O-N 2.84Å; A351-D353 VanDerWaalsContact C-N 3.35Å; A351-E355 WeakPolarHBondContact O-CA 3.48Å; A351-E355 WeakPolarHBondContact O-CB 3.4Å; A351-E355 PolarHBondContact O-N 3.16Å
352R73.5Confident72.2Confident147 Ų147105.7 Ų105.756%0.55552%0.518SS*.Hα-helixtrans-65-36.1173.7-82.8179.9-73.4173.4-5112.9M348 K349 K356M348-R352 VanDerWaalsContact O-CB 3.3Å; M348-R352 WeakPolarHBondContact O-CB 3.08Å; M348-R352 VanDerWaalsContact O-CG 3.27Å; M348-R352 WeakPolarHBondContact O-CG 3.47Å; M348-R352 PolarHBondContact O-N 3.06Å; M348-R352 PolarHBondContact O-NE 3.09Å; M348-R352 VanDerWaalsContact O-NE 3.13Å; K349-R352 CarbonylContact O-C 3.6Å; K349-R352 PolarHBondContact O-N 2.83Å; K349-R352 VanDerWaalsContact O-N 3.08Å; R352-K356 WeakPolarHBondContact O-CB 3.44Å; R352-K356 VanDerWaalsContact O-CG 3.31Å; R352-K356 WeakPolarHBondContact O-CG 3.44Å; R352-K356 PolarHBondContact O-N 2.72Å
353D71.9Confident72.1Confident68 Ų68105.8 Ų105.836%0.36452%0.518SS..Hα-helixtrans-77.2-40.8179.6-66.6-25.2000110.6K349 A351 E355 K356 Q357K349-D353 WeakPolarHBondContact O-CB 3.33Å; K349-D353 VanDerWaalsContact O-CG 3.27Å; K349-D353 PolarHBondContact O-N 2.84Å; A351-D353 VanDerWaalsContact C-N 3.35Å; D353-E355 VanDerWaalsContact C-N 3.32Å; D353-E355 PolarHBondContact O-N 2.91Å; D353-K356 WeakPolarHBondContact O-CB 3.48Å; D353-K356 PolarHBondContact O-N 3Å; D353-Q357 WeakPolarHBondContact O-CB 3.42Å; D353-Q357 PolarHBondContact O-N 3.35Å
354L75.7Confident72.3Confident92 Ų92111.1 Ų111.148%0.48253%0.529SS..Hα-helixtrans-63.5-35.8169.5-171.876.5000111.8A350 Q357 R358A350-L354 WeakPolarHBondContact O-CB 3.16Å; A350-L354 PolarHBondContact O-N 3.09Å; L354-Q357 CarbonylContact O-C 3.51Å; L354-Q357 PolarHBondContact O-N 3.49Å; L354-R358 PolarHBondContact O-N 3.37Å
355E69.2Low72.2Confident78 Ų78112.5 Ų112.536%0.36453%0.532SS..Hα-helixtrans-74.8-36.3176.7-164.159.5-152.500111.7A351 D353 Q357 R358 Q359A351-E355 WeakPolarHBondContact O-CA 3.48Å; A351-E355 WeakPolarHBondContact O-CB 3.4Å; A351-E355 PolarHBondContact O-N 3.16Å; D353-E355 VanDerWaalsContact C-N 3.32Å; D353-E355 PolarHBondContact O-N 2.91Å; E355-Q357 VanDerWaalsContact C-N 3.32Å; E355-R358 CarbonylContact O-C 3.59Å; E355-R358 PolarHBondContact O-N 2.95Å; E355-R358 IonicContact OE2-CZ 2.98Å; E355-R358 VanDerWaalsContact OE2-CZ 3.28Å; E355-R358 IonicContact OE2-NE 3.55Å; E355-R358 PolarHBondContact OE2-NE 3.44Å; E355-R358 IonicContact OE2-NH2 3.32Å; E355-R358 PolarHBondContact OE2-NH2 3.5Å; E355-Q359 WeakPolarHBondContact O-CB 3.07Å; E355-Q359 WeakPolarHBondContact O-CG 3.37Å; E355-Q359 PolarHBondContact O-N 3.34Å
356K71.7Confident72.5Confident126 Ų126112.7 Ų112.755%0.54853%0.528SS..Hα-helixtrans-60.5-41.2165.6-81.2175.5175.2-179.30111.5R352 D353 Q359 I360R352-K356 WeakPolarHBondContact O-CB 3.44Å; R352-K356 VanDerWaalsContact O-CG 3.31Å; R352-K356 WeakPolarHBondContact O-CG 3.44Å; R352-K356 PolarHBondContact O-N 2.72Å; D353-K356 WeakPolarHBondContact O-CB 3.48Å; D353-K356 PolarHBondContact O-N 3Å; K356-Q359 PolarHBondContact O-N 3.06Å; K356-I360 WeakPolarHBondContact O-CB 3.1Å; K356-I360 VanDerWaalsContact O-CG1 3.25Å; K356-I360 WeakPolarHBondContact O-CG1 2.99Å; K356-I360 PolarHBondContact O-N 2.75Å
357Q71.2Confident72.2Confident133 Ų133109.2 Ų109.262%0.62152%0.517SS*.Hα-helixtrans-65.5-38.6174.4-105.2158.2-20.600112.2D353 L354 E355 E361D353-Q357 WeakPolarHBondContact O-CB 3.42Å; D353-Q357 PolarHBondContact O-N 3.35Å; L354-Q357 CarbonylContact O-C 3.51Å; L354-Q357 PolarHBondContact O-N 3.49Å; E355-Q357 VanDerWaalsContact C-N 3.32Å; Q357-E361 WeakPolarHBondContact O-CB 3.27Å; Q357-E361 PolarHBondContact O-N 3.06Å
358R71.3Confident72.3Confident142 Ų142103.4 Ų103.454%0.53650%0.5SS..Hα-helixtrans-64.3-39.1169.7-87.2-163.4-78.2-110.9-0.9112.9L354 E355 S362L354-R358 PolarHBondContact O-N 3.37Å; E355-R358 CarbonylContact O-C 3.59Å; E355-R358 PolarHBondContact O-N 2.95Å; E355-R358 IonicContact OE2-CZ 2.98Å; E355-R358 VanDerWaalsContact OE2-CZ 3.28Å; E355-R358 IonicContact OE2-NE 3.55Å; E355-R358 PolarHBondContact OE2-NE 3.44Å; E355-R358 IonicContact OE2-NH2 3.32Å; E355-R358 PolarHBondContact OE2-NH2 3.5Å; R358-S362 WeakPolarHBondContact O-CA 3.34Å; R358-S362 WeakPolarHBondContact O-CB 3.46Å; R358-S362 PolarHBondContact O-N 2.8Å
359Q71Confident72.6Confident117 Ų117100.6 Ų100.655%0.54750%0.495SS..Hα-helixtrans-67.2-44.1176-75.7177.94.900111.5E355 K356 S362 E363E355-Q359 WeakPolarHBondContact O-CB 3.07Å; E355-Q359 WeakPolarHBondContact O-CG 3.37Å; E355-Q359 PolarHBondContact O-N 3.34Å; K356-Q359 PolarHBondContact O-N 3.06Å; Q359-S362 PolarHBondContact O-N 2.96Å; Q359-E363 WeakPolarHBondContact O-CB 3.26Å; Q359-E363 WeakPolarHBondContact O-CG 3.38Å; Q359-E363 PolarHBondContact O-N 3.38Å
360I70.9Confident72.4Confident115 Ų11599.3 Ų99.359%0.5949%0.494SS*.Hα-helixtrans-64-44.1176.2-68.8164.1000110.8K356 E363 R364K356-I360 WeakPolarHBondContact O-CB 3.1Å; K356-I360 VanDerWaalsContact O-CG1 3.25Å; K356-I360 WeakPolarHBondContact O-CG1 2.99Å; K356-I360 PolarHBondContact O-N 2.75Å; I360-E363 PolarHBondContact O-N 2.64Å; I360-R364 VanDerWaalsContact O-CB 3.3Å; I360-R364 WeakPolarHBondContact O-CB 3.36Å; I360-R364 PolarHBondContact O-N 3.49Å
361E72.4Confident72.4Confident86 Ų86101.1 Ų101.140%0.40249%0.494SS..Hα-helixtrans-70.8-34.3177.3-167.860.6-153.600111.7Q357 R364 I365Q357-E361 WeakPolarHBondContact O-CB 3.27Å; Q357-E361 PolarHBondContact O-N 3.06Å; E361-R364 PolarHBondContact O-N 3.24Å; E361-R364 IonicContact OE2-NH1 3.45Å; E361-I365 HydrophobicContact CG-CD1 4.12Å; E361-I365 WeakPolarHBondContact O-CB 3.47Å; E361-I365 VanDerWaalsContact O-CG1 3.25Å; E361-I365 WeakPolarHBondContact O-CG1 3.43Å; E361-I365 PolarHBondContact O-N 2.98Å
362S66.1Low72.5Confident76 Ų76105 Ų10553%0.53150%0.502SS..Hα-helixtrans-62.9-45.3171.1173.40000111.8R358 Q359 R364 R366R358-S362 WeakPolarHBondContact O-CA 3.34Å; R358-S362 WeakPolarHBondContact O-CB 3.46Å; R358-S362 PolarHBondContact O-N 2.8Å; Q359-S362 PolarHBondContact O-N 2.96Å; S362-R364 VanDerWaalsContact C-N 3.35Å; S362-R366 VanDerWaalsContact O-CB 3.22Å; S362-R366 WeakPolarHBondContact O-CB 2.94Å; S362-R366 PolarHBondContact O-N 3.25Å
363E67.3Low72.3Confident107 Ų107102.9 Ų102.950%0.550%0.499SS..Hα-helixtrans-63.3-41.3173.1-76.3-130100.200111.3Q359 I360 R366 T367Q359-E363 WeakPolarHBondContact O-CB 3.26Å; Q359-E363 WeakPolarHBondContact O-CG 3.38Å; Q359-E363 PolarHBondContact O-N 3.38Å; I360-E363 PolarHBondContact O-N 2.64Å; E363-R366 CarbonylContact O-C 3.54Å; E363-R366 WeakPolarHBondContact O-CB 3.22Å; E363-R366 PolarHBondContact O-N 2.81Å; E363-R366 IonicContact OE1-CZ 2.77Å; E363-R366 IonicContact OE1-NE 3.37Å; E363-R366 IonicContact OE1-NH2 3.19Å; E363-R366 PolarHBondContact OE1-NH2 3.24Å; E363-T367 WeakPolarHBondContact O-CG2 3.42Å; E363-T367 PolarHBondContact O-N 2.73Å; E363-T367 PolarHBondContact O-OG1 3.08Å
364R78.2Confident72.5Confident158 Ų158106.5 Ų106.560%0.59651%0.507SS*.Hα-helixtrans-60.8-52.6176.6-169.5-175.6-175.8-166.71.7111.3I360 E361 S362 R366 T367 D368I360-R364 VanDerWaalsContact O-CB 3.3Å; I360-R364 WeakPolarHBondContact O-CB 3.36Å; I360-R364 PolarHBondContact O-N 3.49Å; E361-R364 PolarHBondContact O-N 3.24Å; E361-R364 IonicContact OE2-NH1 3.45Å; S362-R364 VanDerWaalsContact C-N 3.35Å; R364-R366 VanDerWaalsContact C-N 3.27Å; R364-R366 PolarHBondContact O-N 3.36Å; R364-T367 WeakPolarHBondContact CA-OG1 3.42Å; R364-T367 PolarHBondContact O-N 3.4Å; R364-T367 VanDerWaalsContact O-N 3.11Å; R364-T367 PolarHBondContact O-OG1 2.76Å; R364-D368 WeakPolarHBondContact O-CB 3.18Å; R364-D368 PolarHBondContact O-N 3.29Å
365I73.4Confident72.4Confident104 Ų104105.7 Ų105.753%0.53350%0.503SS..Hα-helixtrans-57.9-40.8175.5-68.9166000110.7E361 D368 A369E361-I365 HydrophobicContact CG-CD1 4.12Å; E361-I365 WeakPolarHBondContact O-CB 3.47Å; E361-I365 VanDerWaalsContact O-CG1 3.25Å; E361-I365 WeakPolarHBondContact O-CG1 3.43Å; E361-I365 PolarHBondContact O-N 2.98Å; I365-D368 PolarHBondContact O-N 2.64Å; I365-A369 VanDerWaalsContact O-CB 3.3Å; I365-A369 WeakPolarHBondContact O-CB 3.3Å; I365-A369 PolarHBondContact O-N 2.8Å
366R77.4Confident72.6Confident125 Ų125107 Ų10747%0.47251%0.509SS..Hα-helixtrans-62.8-43.5175.1-173.3-175.970.379.5-3.7111.9S362 E363 R364 L370S362-R366 VanDerWaalsContact O-CB 3.22Å; S362-R366 WeakPolarHBondContact O-CB 2.94Å; S362-R366 PolarHBondContact O-N 3.25Å; E363-R366 CarbonylContact O-C 3.54Å; E363-R366 WeakPolarHBondContact O-CB 3.22Å; E363-R366 PolarHBondContact O-N 2.81Å; E363-R366 IonicContact OE1-CZ 2.77Å; E363-R366 IonicContact OE1-NE 3.37Å; E363-R366 IonicContact OE1-NH2 3.19Å; E363-R366 PolarHBondContact OE1-NH2 3.24Å; R364-R366 VanDerWaalsContact C-N 3.27Å; R364-R366 PolarHBondContact O-N 3.36Å; R366-L370 HydrophobicContact CG-CD1 4.33Å; R366-L370 WeakPolarHBondContact O-CB 3.33Å; R366-L370 VanDerWaalsContact O-CG 3.29Å; R366-L370 WeakPolarHBondContact O-CG 3.07Å; R366-L370 PolarHBondContact O-N 2.88Å
367T65.7Low72.2Confident72 Ų72106.2 Ų106.244%0.44251%0.509SS..Hα-helixtrans-68-38.7176.454.90000112.3E363 R364 L370 L371E363-T367 WeakPolarHBondContact O-CG2 3.42Å; E363-T367 PolarHBondContact O-N 2.73Å; E363-T367 PolarHBondContact O-OG1 3.08Å; R364-T367 WeakPolarHBondContact CA-OG1 3.42Å; R364-T367 PolarHBondContact O-N 3.4Å; R364-T367 VanDerWaalsContact O-N 3.11Å; R364-T367 PolarHBondContact O-OG1 2.76Å; T367-L370 PolarHBondContact O-N 2.84Å; T367-L371 WeakPolarHBondContact O-CB 3.31Å; T367-L371 PolarHBondContact O-N 3.1Å
368D76.3Confident72Confident76 Ų76103.7 Ų103.741%0.40650%0.497SS..Hα-helixtrans-69.1-37.1178.8-147.363.3000111.5R364 I365 L371 K372R364-D368 WeakPolarHBondContact O-CB 3.18Å; R364-D368 PolarHBondContact O-N 3.29Å; I365-D368 PolarHBondContact O-N 2.64Å; D368-L371 PolarHBondContact O-N 2.6Å; D368-K372 WeakPolarHBondContact O-CG 3.48Å; D368-K372 PolarHBondContact O-N 3.37Å; D368-K372 WeakPolarHBondContact OD2-CE 3.43Å; D368-K372 IonicContact OD2-NZ 3.93Å; D368-K372 PolarHBondContact OD2-NZ 3.41Å
369A73.6Confident72Confident55 Ų55100.2 Ų100.246%0.45549%0.491SS..Hα-helixtrans-64.8-45.6170.800000111.9I365 L371 K372 E373I365-A369 VanDerWaalsContact O-CB 3.3Å; I365-A369 WeakPolarHBondContact O-CB 3.3Å; I365-A369 PolarHBondContact O-N 2.8Å; A369-L371 VanDerWaalsContact C-N 3.31Å; A369-L371 PolarHBondContact O-N 3.21Å; A369-K372 PolarHBondContact O-N 2.92Å; A369-E373 WeakPolarHBondContact O-CB 3.41Å; A369-E373 PolarHBondContact O-N 3.49Å
370L73Confident72.1Confident99 Ų9998.5 Ų98.552%0.51849%0.486SS..Hα-helixtrans-64.4-33.6174.9-73.9170.5000112.6R366 T367 R374R366-L370 HydrophobicContact CG-CD1 4.33Å; R366-L370 WeakPolarHBondContact O-CB 3.33Å; R366-L370 VanDerWaalsContact O-CG 3.29Å; R366-L370 WeakPolarHBondContact O-CG 3.07Å; R366-L370 PolarHBondContact O-N 2.88Å; T367-L370 PolarHBondContact O-N 2.84Å; L370-R374 VanDerWaalsContact O-CB 3.25Å; L370-R374 WeakPolarHBondContact O-CB 3.35Å; L370-R374 PolarHBondContact O-N 2.97Å
371L76.1Confident72Confident97 Ų9798.4 Ų98.451%0.50849%0.486SS..Hα-helixtrans-68.9-41.3175.4-155.987.5000111.2T367 D368 A369 R374 N375T367-L371 WeakPolarHBondContact O-CB 3.31Å; T367-L371 PolarHBondContact O-N 3.1Å; D368-L371 PolarHBondContact O-N 2.6Å; A369-L371 VanDerWaalsContact C-N 3.31Å; A369-L371 PolarHBondContact O-N 3.21Å; L371-R374 PolarHBondContact O-N 3.32Å; L371-N375 WeakPolarHBondContact O-CB 3.44Å; L371-N375 PolarHBondContact O-N 3.43Å; L371-N375 PolarHBondContact O-ND2 2.95Å
372K76.1Confident71.9Confident133 Ų133100 Ų10058%0.57849%0.493SS*.Hα-helixtrans-63-44.7173.7-74.8167.1-172.6156.80111.6D368 A369 N375 H376D368-K372 WeakPolarHBondContact O-CG 3.48Å; D368-K372 PolarHBondContact O-N 3.37Å; D368-K372 WeakPolarHBondContact OD2-CE 3.43Å; D368-K372 IonicContact OD2-NZ 3.93Å; D368-K372 PolarHBondContact OD2-NZ 3.41Å; A369-K372 PolarHBondContact O-N 2.92Å; K372-N375 PolarHBondContact O-N 3.28Å; K372-H376 WeakPolarHBondContact O-CB 2.89Å; K372-H376 PolarHBondContact O-N 2.86Å
373E70.7Confident72.3Confident102 Ų102102 Ų10248%0.47749%0.494SS..Hα-helixtrans-63.3-44.6176.3-168.859.7-150.400111.6A369 N375 H376 M377A369-E373 WeakPolarHBondContact O-CB 3.41Å; A369-E373 PolarHBondContact O-N 3.49Å; E373-N375 PolarHBondContact O-N 3.3Å; E373-H376 PolarHBondContact O-N 3.36Å; E373-M377 WeakPolarHBondContact O-CG 3.42Å; E373-M377 PolarHBondContact O-N 3.36Å
374R75.2Confident72.3Confident143 Ų14399.7 Ų99.754%0.5449%0.493SS..Hα-helixtrans-58.7-45.6174-173.4-151.4128.5114.57.7111.6L370 L371 M377 Q378L370-R374 VanDerWaalsContact O-CB 3.25Å; L370-R374 WeakPolarHBondContact O-CB 3.35Å; L370-R374 PolarHBondContact O-N 2.97Å; L371-R374 PolarHBondContact O-N 3.32Å; R374-M377 PolarHBondContact O-N 2.85Å; R374-Q378 WeakPolarHBondContact O-CB 3.37Å; R374-Q378 PolarHBondContact O-N 2.55Å
375N72.8Confident72Confident75 Ų7596.4 Ų96.440%0.40149%0.491SS..Hα-helixtrans-66.4-39.5179.1-70.2-13.5000111.2L371 K372 E373 Q378 T379L371-N375 WeakPolarHBondContact O-CB 3.44Å; L371-N375 PolarHBondContact O-N 3.43Å; L371-N375 PolarHBondContact O-ND2 2.95Å; K372-N375 PolarHBondContact O-N 3.28Å; E373-N375 PolarHBondContact O-N 3.3Å; N375-Q378 PolarHBondContact O-N 3.09Å; N375-T379 PolarHBondContact O-N 3.4Å; N375-T379 PolarHBondContact O-OG1 3.36Å
376H73.4Confident71.9Confident105 Ų10594.4 Ų94.449%0.48649%0.489SS..Hα-helixtrans-61.8-47.2173.8-17554.2000111.9K372 E373 Q378 T379 L380K372-H376 WeakPolarHBondContact O-CB 2.89Å; K372-H376 PolarHBondContact O-N 2.86Å; E373-H376 PolarHBondContact O-N 3.36Å; H376-Q378 VanDerWaalsContact C-N 3.29Å; H376-Q378 PolarHBondContact O-N 3.19Å; H376-T379 PolarHBondContact O-N 3.48Å; H376-L380 WeakPolarHBondContact O-CG 3.41Å; H376-L380 PolarHBondContact O-N 3.44Å
377M63.3Low71.7Confident111 Ų11194.1 Ų94.155%0.54749%0.493SS..Hα-helixtrans-62-34.5173.1-72.7-157.6-64.400112.8E373 R374 L380 L381E373-M377 WeakPolarHBondContact O-CG 3.42Å; E373-M377 PolarHBondContact O-N 3.36Å; R374-M377 PolarHBondContact O-N 2.85Å; M377-L380 PolarHBondContact O-N 2.91Å; M377-L381 WeakPolarHBondContact O-CB 3.19Å; M377-L381 PolarHBondContact O-N 3.36Å
378Q68.8Low72.3Confident80 Ų8099 Ų9937%0.37450%0.503SS..Hα-helixtrans-68.4-40.8176.3-172.1167.3-12.900111.6R374 N375 H376 L381 E382R374-Q378 WeakPolarHBondContact O-CB 3.37Å; R374-Q378 PolarHBondContact O-N 2.55Å; N375-Q378 PolarHBondContact O-N 3.09Å; H376-Q378 VanDerWaalsContact C-N 3.29Å; H376-Q378 PolarHBondContact O-N 3.19Å; Q378-L381 PolarHBondContact O-N 3.2Å; Q378-E382 PolarHBondContact O-N 3.3Å
379T71Confident72.2Confident68 Ų6898 Ų9842%0.41751%0.506SS..Hα-helixtrans-64-40.9171.9-55.20000112.1N375 H376 L381 E382 Q383N375-T379 PolarHBondContact O-N 3.4Å; N375-T379 PolarHBondContact O-OG1 3.36Å; H376-T379 PolarHBondContact O-N 3.48Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 3.47Å; T379-E382 PolarHBondContact O-N 2.88Å; T379-Q383 WeakPolarHBondContact O-CG 3.33Å; T379-Q383 PolarHBondContact O-N 2.93Å
380L71.9Confident72.1Confident82 Ų8298.9 Ų98.943%0.42951%0.508SS..Hα-helixtrans-63.2-37.2173.9-73.6169.8000112.1H376 M377 Q383 A384H376-L380 WeakPolarHBondContact O-CG 3.41Å; H376-L380 PolarHBondContact O-N 3.44Å; M377-L380 PolarHBondContact O-N 2.91Å; L380-Q383 PolarHBondContact O-N 3.48Å; L380-A384 WeakPolarHBondContact O-CB 3.26Å; L380-A384 PolarHBondContact O-N 3.01Å
381L70.5Confident71.9Confident112 Ų11298.5 Ų98.559%0.58651%0.507SS*.Hα-helixtrans-67.2-42.8175.4-175.764.1000111.8M377 Q378 T379 A384 V385M377-L381 WeakPolarHBondContact O-CB 3.19Å; M377-L381 PolarHBondContact O-N 3.36Å; Q378-L381 PolarHBondContact O-N 3.2Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 3.47Å; L381-A384 PolarHBondContact O-N 3.4Å; L381-V385 HydrophobicContact CD1-CG2 4.49Å; L381-V385 WeakPolarHBondContact O-CB 3.5Å; L381-V385 VanDerWaalsContact O-CG2 3.31Å; L381-V385 WeakPolarHBondContact O-CG2 3.47Å; L381-V385 PolarHBondContact O-N 3.34Å
382E70.3Confident71.8Confident119 Ų11998.9 Ų98.956%0.55651%0.509SS*.Hα-helixtrans-62-42.3174.7-75.9175171.600111.8Q378 T379 A384 V385 A386Q378-E382 PolarHBondContact O-N 3.3Å; T379-E382 PolarHBondContact O-N 2.88Å; E382-A384 PolarHBondContact O-N 2.66Å; E382-V385 PolarHBondContact O-N 3.12Å; E382-A386 WeakPolarHBondContact O-CB 3.31Å; E382-A386 PolarHBondContact O-N 2.94Å
383Q74.3Confident71.6Confident120 Ų12098.9 Ų98.956%0.56151%0.51SS*.Hα-helixtrans-61.2-43172.5-72.31783.200112T379 L380 A386 H387T379-Q383 WeakPolarHBondContact O-CG 3.33Å; T379-Q383 PolarHBondContact O-N 2.93Å; L380-Q383 PolarHBondContact O-N 3.48Å; Q383-A386 PolarHBondContact O-N 3.43Å; Q383-H387 VanDerWaalsContact O-CB 3.26Å; Q383-H387 WeakPolarHBondContact O-CB 3.46Å; Q383-H387 PolarHBondContact O-N 3.25Å
384A66.9Low71.5Confident57 Ų5796.6 Ų96.647%0.47151%0.506SS..Hα-helixtrans-65.8-38.1177.200000112.8L380 L381 E382 R388L380-A384 WeakPolarHBondContact O-CB 3.26Å; L380-A384 PolarHBondContact O-N 3.01Å; L381-A384 PolarHBondContact O-N 3.4Å; E382-A384 PolarHBondContact O-N 2.66Å; A384-R388 WeakPolarHBondContact O-CB 3.42Å; A384-R388 PolarHBondContact O-N 2.89Å
385V70.8Confident71.2Confident90 Ų9092.5 Ų92.555%0.54550%0.502SS..Hα-helixtrans-68.8-44.4175.9170.20000111.1L381 E382 R388 A389L381-V385 HydrophobicContact CD1-CG2 4.49Å; L381-V385 WeakPolarHBondContact O-CB 3.5Å; L381-V385 VanDerWaalsContact O-CG2 3.31Å; L381-V385 WeakPolarHBondContact O-CG2 3.47Å; L381-V385 PolarHBondContact O-N 3.34Å; E382-V385 PolarHBondContact O-N 3.12Å; V385-R388 PolarHBondContact O-N 2.89Å; V385-A389 PolarHBondContact O-N 3.4Å
386A72.9Confident71.3Confident61 Ų6192.8 Ų92.850%0.50451%0.511SS..Hα-helixtrans-62.5-42.9175.200000111.8E382 Q383 A389 S390E382-A386 WeakPolarHBondContact O-CB 3.31Å; E382-A386 PolarHBondContact O-N 2.94Å; Q383-A386 PolarHBondContact O-N 3.43Å; A386-A389 PolarHBondContact O-N 3.43Å; A386-S390 PolarHBondContact O-N 3.18Å
387H71.4Confident71.2Confident120 Ų12090.8 Ų90.856%0.55651%0.508SS*.Hα-helixtrans-63.2-42.1175-173.7-115.4000111.9Q383 A389 S390 L391Q383-H387 VanDerWaalsContact O-CB 3.26Å; Q383-H387 WeakPolarHBondContact O-CB 3.46Å; Q383-H387 PolarHBondContact O-N 3.25Å; H387-A389 PolarHBondContact O-N 3.29Å; H387-S390 PolarHBondContact O-N 3.07Å; H387-L391 WeakPolarHBondContact O-CB 3.37Å; H387-L391 WeakPolarHBondContact O-CG 3.19Å; H387-L391 PolarHBondContact O-N 3.46Å
388R78.8Confident71.6Confident174 Ų17489.3 Ų89.366%0.65750%0.5SS*.Hα-helixtrans-61.1-41.8173.1173.6177.7164.7155.6-2.8112.3A384 V385 L391 L392A384-R388 WeakPolarHBondContact O-CB 3.42Å; A384-R388 PolarHBondContact O-N 2.89Å; V385-R388 PolarHBondContact O-N 2.89Å; R388-L391 PolarHBondContact O-N 3.02Å; R388-L392 HydrophobicContact CG-CD1 4.16Å; R388-L392 WeakPolarHBondContact O-CG 3.48Å; R388-L392 PolarHBondContact O-N 2.58Å
389A74Confident71.9Confident55 Ų5590.9 Ų90.946%0.45551%0.507SS..Hα-helixtrans-63.2-46.3177.100000111.2V385 A386 H387 L391 L392 E393V385-A389 PolarHBondContact O-N 3.4Å; A386-A389 PolarHBondContact O-N 3.43Å; H387-A389 PolarHBondContact O-N 3.29Å; A389-L391 VanDerWaalsContact C-N 3.35Å; A389-L391 PolarHBondContact O-N 3.19Å; A389-L392 PolarHBondContact O-N 3.41Å; A389-E393 PolarHBondContact O-N 3.31Å
390S72.1Confident72.3Confident73 Ų7394.4 Ų94.451%0.5152%0.519SS..Hα-helixtrans-60.1-40.8175-177.40000112.7A386 H387 S394A386-S390 PolarHBondContact O-N 3.18Å; H387-S390 PolarHBondContact O-N 3.07Å; S390-S394 VanDerWaalsContact O-CB 3.25Å; S390-S394 WeakPolarHBondContact O-CB 3.4Å; S390-S394 PolarHBondContact O-N 3.04Å
391L68.8Low72.5Confident92 Ų9292.8 Ų92.848%0.48251%0.507SS..Hα-helixtrans-65.3-37.2174.7-74.5174.7000112.9H387 R388 A389 A395H387-L391 WeakPolarHBondContact O-CB 3.37Å; H387-L391 WeakPolarHBondContact O-CG 3.19Å; H387-L391 PolarHBondContact O-N 3.46Å; R388-L391 PolarHBondContact O-N 3.02Å; A389-L391 VanDerWaalsContact C-N 3.35Å; A389-L391 PolarHBondContact O-N 3.19Å; L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.26Å; L391-A395 PolarHBondContact O-N 3.19Å
392L73.5Confident72.7Confident105 Ų10592.6 Ų92.655%0.5551%0.506SS..Hα-helixtrans-70.6-41177-74.7170.2000112.3R388 A389 A395 S396R388-L392 HydrophobicContact CG-CD1 4.16Å; R388-L392 WeakPolarHBondContact O-CG 3.48Å; R388-L392 PolarHBondContact O-N 2.58Å; A389-L392 PolarHBondContact O-N 3.41Å; L392-A395 PolarHBondContact O-N 3.5Å; L392-S396 WeakPolarHBondContact O-CB 3.18Å; L392-S396 PolarHBondContact O-N 3.03Å
393E72.3Confident73.2Confident132 Ų13292.4 Ų92.462%0.61751%0.508SS*.Hα-helixtrans-66.1-40.8175.2-170.7158.4-14200111.1A389 S396 S397A389-E393 PolarHBondContact O-N 3.31Å; E393-S396 PolarHBondContact O-N 3.32Å; E393-S397 WeakPolarHBondContact O-CB 3.47Å; E393-S397 PolarHBondContact O-N 3.22Å
394S68.3Low73.4Confident55 Ų5591.1 Ų91.139%0.38550%0.502SS..Hα-helixtrans-61.5-45.3171.2-1690000112.1S390 S396 S397 Q398S390-S394 VanDerWaalsContact O-CB 3.25Å; S390-S394 WeakPolarHBondContact O-CB 3.4Å; S390-S394 PolarHBondContact O-N 3.04Å; S394-S396 PolarHBondContact O-N 3.31Å; S394-S397 PolarHBondContact O-N 3.31Å; S394-Q398 VanDerWaalsContact O-CG 3.3Å; S394-Q398 WeakPolarHBondContact O-CG 3.43Å; S394-Q398 PolarHBondContact O-N 3.1Å
395A70.1Confident74Confident56 Ų5692.3 Ų92.346%0.46350%0.5SS..Hα-helixtrans-62.6-40.6176.700000112.4L391 L392 Q398 Q399L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.26Å; L391-A395 PolarHBondContact O-N 3.19Å; L392-A395 PolarHBondContact O-N 3.5Å; A395-Q398 PolarHBondContact O-N 3.14Å; A395-Q399 WeakPolarHBondContact O-CB 3.49Å; A395-Q399 PolarHBondContact O-N 2.82Å
396S73.1Confident74.4Confident82 Ų8292.3 Ų92.357%0.57350%0.497SS*.Hα-helixtrans-66.6-37.9176.5-160.50000112.2L392 E393 S394 Q399 Q400L392-S396 WeakPolarHBondContact O-CB 3.18Å; L392-S396 PolarHBondContact O-N 3.03Å; E393-S396 PolarHBondContact O-N 3.32Å; S394-S396 PolarHBondContact O-N 3.31Å; S396-Q399 PolarHBondContact O-N 2.93Å; S396-Q400 PolarHBondContact O-N 3.48Å
397S71.5Confident74.9Confident62 Ų6292.9 Ų92.943%0.43450%0.498SS..Hα-helixtrans-66.2-41173.7179.50000112.2E393 S394 Q400 R401E393-S397 WeakPolarHBondContact O-CB 3.47Å; E393-S397 PolarHBondContact O-N 3.22Å; S394-S397 PolarHBondContact O-N 3.31Å; S397-Q400 PolarHBondContact O-N 2.87Å; S397-R401 PolarHBondContact O-N 3.1Å
398Q71.9Confident75.5Confident81 Ų8190 Ų9038%0.37948%0.482SS..Hα-helixtrans-65.2-38.7173.9-67.2-66.2-26.500111.8S394 A395 R401 L402S394-Q398 VanDerWaalsContact O-CG 3.3Å; S394-Q398 WeakPolarHBondContact O-CG 3.43Å; S394-Q398 PolarHBondContact O-N 3.1Å; A395-Q398 PolarHBondContact O-N 3.14Å; Q398-R401 PolarHBondContact O-N 3.11Å; Q398-L402 PolarHBondContact O-N 3.38Å
399Q75.8Confident75.6Confident112 Ų11287 Ų8752%0.52348%0.478SS..Hα-helixtrans-64.1-40.5175.6-171.565.722.900112A395 S396 L402 L403A395-Q399 WeakPolarHBondContact O-CB 3.49Å; A395-Q399 PolarHBondContact O-N 2.82Å; S396-Q399 PolarHBondContact O-N 2.93Å; Q399-L402 WeakPolarHBondContact O-CB 3.48Å; Q399-L402 PolarHBondContact O-N 3.25Å; Q399-L403 PolarHBondContact O-N 2.89Å
400Q78.4Confident75.9Confident142 Ų14288.7 Ų88.766%0.66448%0.48SS*.Hα-helixtrans-65.7-40.6175.5-172174.1-2.300111.7S396 S397 L402 L403 E404S396-Q400 PolarHBondContact O-N 3.48Å; S397-Q400 PolarHBondContact O-N 2.87Å; Q400-L402 VanDerWaalsContact C-N 3.32Å; Q400-L402 PolarHBondContact O-N 3.43Å; Q400-L403 PolarHBondContact O-N 3.47Å; Q400-E404 PolarHBondContact O-N 3.45Å; Q400-E404 VanDerWaalsContact O-N 3.09Å
401R77.3Confident76.4Confident49 Ų4989 Ų8919%0.18548%0.479CS..Hα-helixtrans-63.3-36.9172.1-173.4-172-70-177.3179112A19 S397 Q398 L403 E404 L405A19-R401 VanDerWaalsContact CA-NH1 3.31Å; A19-R401 VanDerWaalsContact O-CZ 3.3Å; A19-R401 PolarHBondContact O-NH1 2.88Å; A19-R401 PolarHBondContact O-NH2 2.81Å; S397-R401 PolarHBondContact O-N 3.1Å; Q398-R401 PolarHBondContact O-N 3.11Å; R401-L403 VanDerWaalsContact C-N 3.31Å; R401-L403 PolarHBondContact O-N 3.35Å; R401-E404 PolarHBondContact O-N 3.22Å; R401-L405 HydrophobicContact CG-CD1 3.89Å; R401-L405 HydrophobicContact CG-CG 4.1Å; R401-L405 WeakPolarHBondContact O-CB 3.38Å; R401-L405 WeakPolarHBondContact O-CG 3.26Å; R401-L405 PolarHBondContact O-N 2.88Å
402L74.7Confident76.8Confident108 Ų10886.9 Ų86.957%0.56547%0.474SS*.Hα-helixtrans-58.9-43.9176.5-111.1171.9000111.4Q398 Q399 Q400 L405 D406Q398-L402 PolarHBondContact O-N 3.38Å; Q399-L402 WeakPolarHBondContact O-CB 3.48Å; Q399-L402 PolarHBondContact O-N 3.25Å; Q400-L402 VanDerWaalsContact C-N 3.32Å; Q400-L402 PolarHBondContact O-N 3.43Å; L402-L405 PolarHBondContact O-N 3.44Å; L402-D406 WeakPolarHBondContact O-CB 3.35Å; L402-D406 PolarHBondContact O-N 3.2Å
403L79.8Confident77.1Confident114 Ų11484.1 Ų84.160%0.59746%0.458SS*.Hα-helixtrans-66.2-37.9175.4-66.6170.8000112.9Q399 Q400 R401 S407Q399-L403 PolarHBondContact O-N 2.89Å; Q400-L403 PolarHBondContact O-N 3.47Å; R401-L403 VanDerWaalsContact C-N 3.31Å; R401-L403 PolarHBondContact O-N 3.35Å; L403-S407 WeakPolarHBondContact O-CB 3.32Å; L403-S407 PolarHBondContact O-N 3.38Å
404E79Confident77.6Confident93 Ų9382.3 Ų82.344%0.43546%0.456SS..Hα-helixtrans-65.4-41.9174.8-169.5-166.6151.300111.9Q400 R401 R408Q400-E404 PolarHBondContact O-N 3.45Å; Q400-E404 VanDerWaalsContact O-N 3.09Å; R401-E404 PolarHBondContact O-N 3.22Å; E404-R408 WeakPolarHBondContact O-CG 3.37Å; E404-R408 PolarHBondContact O-N 2.92Å
405L78.7Confident78.2Confident82 Ų8285 Ų8543%0.42946%0.463SS..Hα-helixtrans-68.9-37.4176.8-72.7173.1000112.2R401 L402 R408 L409R401-L405 HydrophobicContact CG-CD1 3.89Å; R401-L405 HydrophobicContact CG-CG 4.1Å; R401-L405 WeakPolarHBondContact O-CB 3.38Å; R401-L405 WeakPolarHBondContact O-CG 3.26Å; R401-L405 PolarHBondContact O-N 2.88Å; L402-L405 PolarHBondContact O-N 3.44Å; L405-R408 PolarHBondContact O-N 2.87Å; L405-L409 VanDerWaalsContact O-CB 3.28Å; L405-L409 WeakPolarHBondContact O-CB 3.36Å; L405-L409 PolarHBondContact O-N 3.5Å
406D80.4Confident78.8Confident90 Ų9085.1 Ų85.148%0.48146%0.458SS..Hα-helixtrans-64.2-44.3174.6-169.380.3000111.3L402 R408 L409 N410L402-D406 WeakPolarHBondContact O-CB 3.35Å; L402-D406 PolarHBondContact O-N 3.2Å; D406-R408 PolarHBondContact O-N 2.81Å; D406-L409 PolarHBondContact O-N 3Å; D406-N410 PolarHBondContact O-N 3.39Å; D406-N410 PolarHBondContact O-ND2 3.02Å; D406-N410 PolarHBondContact OD2-ND2 3.1Å
407S82.3Confident79.2Confident73 Ų7384.2 Ų84.251%0.5145%0.447SS..Hα-helixtrans-59-45.2173.1-179.20000112.3L403 N410 V411L403-S407 WeakPolarHBondContact O-CB 3.32Å; L403-S407 PolarHBondContact O-N 3.38Å; S407-N410 PolarHBondContact O-N 2.93Å; S407-V411 PolarHBondContact O-N 2.9Å
408R85.5Confident79.7Confident59 Ų5985 Ų8522%0.22345%0.452CS..Hα-helixtrans-69.9-31.9177.2-71.2176.668.9-156.23.8113.2D12 E404 L405 D406 V411 A412D12-R408 PolarHBondContact O-NH2 3.03Å; D12-R408 IonicContact OD1-CZ 3.95Å; D12-R408 IonicContact OD1-NE 2.7Å; D12-R408 IonicContact OD1-NH2 2.72Å; D12-R408 PolarHBondContact OD1-NH2 3.43Å; E404-R408 WeakPolarHBondContact O-CG 3.37Å; E404-R408 PolarHBondContact O-N 2.92Å; L405-R408 PolarHBondContact O-N 2.87Å; D406-R408 PolarHBondContact O-N 2.81Å; R408-V411 PolarHBondContact O-N 3.42Å; R408-A412 WeakPolarHBondContact O-CB 3.34Å; R408-A412 PolarHBondContact O-N 3.45Å
409L78.9Confident80.2Confident111 Ų11186.8 Ų86.858%0.58146%0.46SS*.Hα-helixtrans-65.4-44.4174-177.765000110.7L405 D406 V411 A412 Q413L405-L409 VanDerWaalsContact O-CB 3.28Å; L405-L409 WeakPolarHBondContact O-CB 3.36Å; L405-L409 PolarHBondContact O-N 3.5Å; D406-L409 PolarHBondContact O-N 3Å; L409-V411 PolarHBondContact O-N 3.11Å; L409-A412 PolarHBondContact O-N 3.01Å; L409-Q413 WeakPolarHBondContact O-CB 3.37Å; L409-Q413 PolarHBondContact O-N 2.76Å
410N81.1Confident80.6Confident92 Ų9284.9 Ų84.949%0.49245%0.45SS..Hα-helixtrans-60.2-43.4176-74-54000111.9D406 S407 Q413 T414D406-N410 PolarHBondContact O-N 3.39Å; D406-N410 PolarHBondContact O-ND2 3.02Å; D406-N410 PolarHBondContact OD2-ND2 3.1Å; S407-N410 PolarHBondContact O-N 2.93Å; N410-Q413 PolarHBondContact O-N 2.89Å; N410-T414 WeakPolarHBondContact O-CG2 3.45Å; N410-T414 PolarHBondContact O-N 3.39Å; N410-T414 VanDerWaalsContact O-N 3.07Å
411V83.1Confident80.9Confident80 Ų8081.9 Ų81.949%0.48544%0.442SS..Hα-helixtrans-61.7-50.8174.5175.20000111.1S407 R408 L409 Q413 T414 E415S407-V411 PolarHBondContact O-N 2.9Å; R408-V411 PolarHBondContact O-N 3.42Å; L409-V411 PolarHBondContact O-N 3.11Å; V411-Q413 VanDerWaalsContact C-N 3.26Å; V411-Q413 PolarHBondContact O-N 3.18Å; V411-T414 PolarHBondContact O-N 3.13Å; V411-T414 VanDerWaalsContact O-N 3.11Å; V411-T414 PolarHBondContact O-OG1 3.08Å; V411-E415 PolarHBondContact O-N 3Å
412A76.8Confident81.2Confident46 Ų4682 Ų8238%0.3845%0.45SS..Hα-helixtrans-60.4-35.3178.900000112.7R408 L409 E415 V416R408-A412 WeakPolarHBondContact O-CB 3.34Å; R408-A412 PolarHBondContact O-N 3.45Å; L409-A412 PolarHBondContact O-N 3.01Å; A412-E415 PolarHBondContact O-N 3.31Å; A412-V416 WeakPolarHBondContact O-CB 3.21Å; A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.48Å; A412-V416 PolarHBondContact O-N 2.8Å
413Q80.1Confident81.5Confident47 Ų4780.5 Ų80.522%0.2244%0.442CS..Hα-helixtrans-65.3-43.5175.1-173.163.83300111.3L409 N410 V411 E415 V416 D417L409-Q413 WeakPolarHBondContact O-CB 3.37Å; L409-Q413 PolarHBondContact O-N 2.76Å; N410-Q413 PolarHBondContact O-N 2.89Å; V411-Q413 VanDerWaalsContact C-N 3.26Å; V411-Q413 PolarHBondContact O-N 3.18Å; Q413-E415 VanDerWaalsContact C-N 3.33Å; Q413-E415 PolarHBondContact O-N 3.19Å; Q413-V416 PolarHBondContact O-N 3.27Å; Q413-D417 PolarHBondContact NE2-OD1 3.48Å; Q413-D417 PolarHBondContact NE2-OD2 2.93Å; Q413-D417 PolarHBondContact O-N 2.6Å
414T82.7Confident81.4Confident95 Ų9579.3 Ų79.358%0.58344%0.436SS*.Hα-helixtrans-63.6-36.3175.758.90000113N410 V411 S418N410-T414 WeakPolarHBondContact O-CG2 3.45Å; N410-T414 PolarHBondContact O-N 3.39Å; N410-T414 VanDerWaalsContact O-N 3.07Å; V411-T414 PolarHBondContact O-N 3.13Å; V411-T414 VanDerWaalsContact O-N 3.11Å; V411-T414 PolarHBondContact O-OG1 3.08Å; T414-S418 WeakPolarHBondContact O-CB 3.44Å; T414-S418 PolarHBondContact O-N 2.65Å
415E81.7Confident81.5Confident110 Ų11080 Ų8051%0.51444%0.439SS..Hα-helixtrans-67.9-40.6172.4-68.7-173.2167.200111.9V411 A412 Q413 S418 H419V411-E415 PolarHBondContact O-N 3Å; A412-E415 PolarHBondContact O-N 3.31Å; Q413-E415 VanDerWaalsContact C-N 3.33Å; Q413-E415 PolarHBondContact O-N 3.19Å; E415-S418 PolarHBondContact O-N 2.83Å; E415-H419 PolarHBondContact O-N 3.34Å; E415-H419 PolarHBondContact O-ND1 2.78Å
416V82.2Confident81.6Confident59 Ų5981.3 Ų81.336%0.35844%0.444SS..Hα-helixtrans-63-42.6176162.30000111.3A412 Q413 H419 K420A412-V416 WeakPolarHBondContact O-CB 3.21Å; A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.48Å; A412-V416 PolarHBondContact O-N 2.8Å; Q413-V416 PolarHBondContact O-N 3.27Å; V416-H419 PolarHBondContact O-N 3.15Å; V416-K420 HydrophobicContact CG1-CD 4.33Å; V416-K420 VanDerWaalsContact CG1-CE 3.5Å; V416-K420 HydrophobicContact CG1-CG 4.48Å; V416-K420 WeakPolarHBondContact O-CG 3.45Å; V416-K420 PolarHBondContact O-N 2.65Å
417D80.9Confident81.6Confident64 Ų6483 Ų8334%0.34244%0.444SS..Hα-helixtrans-73.2-31.2-179.7-67.6-30.9000112.4Q413 K420 T421Q413-D417 PolarHBondContact NE2-OD1 3.48Å; Q413-D417 PolarHBondContact NE2-OD2 2.93Å; Q413-D417 PolarHBondContact O-N 2.6Å; D417-K420 PolarHBondContact O-N 3.42Å; D417-K420 WeakPolarHBondContact OD1-CD 3.48Å; D417-K420 WeakPolarHBondContact OD1-CE 3.34Å; D417-K420 IonicContact OD1-NZ 3.23Å; D417-K420 PolarHBondContact OD1-NZ 3.33Å; D417-T421 PolarHBondContact O-N 2.98Å; D417-T421 PolarHBondContact O-OG1 2.84Å
418S81.4Confident81.6Confident78 Ų7883.3 Ų83.355%0.54545%0.446SS..Hα-helixtrans-60.6-49.2165.9-177.20000111.6T414 E415 K420 T421 S422T414-S418 WeakPolarHBondContact O-CB 3.44Å; T414-S418 PolarHBondContact O-N 2.65Å; E415-S418 PolarHBondContact O-N 2.83Å; S418-K420 PolarHBondContact O-N 3.07Å; S418-T421 WeakPolarHBondContact O-CB 3.45Å; S418-T421 PolarHBondContact O-N 2.96Å; S418-T421 VanDerWaalsContact O-N 3.17Å; S418-S422 PolarHBondContact O-N 3.16Å
419H84Confident81.5Confident118 Ų11886.3 Ų86.355%0.54646%0.461SS..Hα-helixtrans-63.8-39.2176.2-71.2115.1000112.9E415 V416 T421 S422 I423E415-H419 PolarHBondContact O-N 3.34Å; E415-H419 PolarHBondContact O-ND1 2.78Å; V416-H419 PolarHBondContact O-N 3.15Å; H419-T421 VanDerWaalsContact C-N 3.28Å; H419-T421 PolarHBondContact O-N 3.44Å; H419-S422 PolarHBondContact O-N 2.96Å; H419-I423 WeakPolarHBondContact O-CB 3.47Å; H419-I423 WeakPolarHBondContact O-CD1 3.29Å; H419-I423 WeakPolarHBondContact O-CG1 3.23Å; H419-I423 PolarHBondContact O-N 3.28Å
420K83.7Confident81.8Confident73 Ų7387 Ų8732%0.31746%0.456SS..Hα-helixtrans-58.1-41.9172.8-75.1174-166.81560111.1V416 D417 S418 I423 N424V416-K420 HydrophobicContact CG1-CD 4.33Å; V416-K420 VanDerWaalsContact CG1-CE 3.5Å; V416-K420 HydrophobicContact CG1-CG 4.48Å; V416-K420 WeakPolarHBondContact O-CG 3.45Å; V416-K420 PolarHBondContact O-N 2.65Å; D417-K420 PolarHBondContact O-N 3.42Å; D417-K420 WeakPolarHBondContact OD1-CD 3.48Å; D417-K420 WeakPolarHBondContact OD1-CE 3.34Å; D417-K420 IonicContact OD1-NZ 3.23Å; D417-K420 PolarHBondContact OD1-NZ 3.33Å; S418-K420 PolarHBondContact O-N 3.07Å; K420-I423 PolarHBondContact O-N 2.78Å; K420-N424 WeakPolarHBondContact O-CB 3.19Å; K420-N424 VanDerWaalsContact O-CG 3.23Å; K420-N424 PolarHBondContact O-N 2.95Å; K420-N424 PolarHBondContact O-ND2 2.73Å
421T83.7Confident82Confident79 Ų7985.8 Ų85.849%0.48545%0.449SS..Hα-helixtrans-63.3-50178-53.70000110.8D417 S418 H419 I423 N424 E425D417-T421 PolarHBondContact O-N 2.98Å; D417-T421 PolarHBondContact O-OG1 2.84Å; S418-T421 WeakPolarHBondContact O-CB 3.45Å; S418-T421 PolarHBondContact O-N 2.96Å; S418-T421 VanDerWaalsContact O-N 3.17Å; H419-T421 VanDerWaalsContact C-N 3.28Å; H419-T421 PolarHBondContact O-N 3.44Å; T421-I423 VanDerWaalsContact C-N 3.33Å; T421-I423 PolarHBondContact O-N 3.04Å; T421-N424 PolarHBondContact O-N 3.06Å; T421-N424 VanDerWaalsContact O-N 3.1Å; T421-E425 PolarHBondContact O-N 3.46Å
422S84.5Confident82Confident52 Ų5283.4 Ų83.436%0.36444%0.438SS..Hα-helixtrans-61.3-37.8175.8-172.30000113.1S418 H419 E425 M426S418-S422 PolarHBondContact O-N 3.16Å; H419-S422 PolarHBondContact O-N 2.96Å; S422-E425 PolarHBondContact O-N 2.82Å; S422-M426 WeakPolarHBondContact O-CG 3.42Å; S422-M426 PolarHBondContact O-N 3.01Å
423I80Confident82.4Confident76 Ų7688.3 Ų88.339%0.3945%0.448SS..Hα-helixtrans-65.3-39.1174-71.7165.5000111.3H419 K420 T421 M426 R427H419-I423 WeakPolarHBondContact O-CB 3.47Å; H419-I423 WeakPolarHBondContact O-CD1 3.29Å; H419-I423 WeakPolarHBondContact O-CG1 3.23Å; H419-I423 PolarHBondContact O-N 3.28Å; K420-I423 PolarHBondContact O-N 2.78Å; T421-I423 VanDerWaalsContact C-N 3.33Å; T421-I423 PolarHBondContact O-N 3.04Å; I423-M426 HydrophobicContact CG1-CE 4.13Å; I423-M426 PolarHBondContact O-N 3.28Å; I423-R427 HydrophobicContact CG2-CG 4.44Å; I423-R427 WeakPolarHBondContact O-CB 3.4Å; I423-R427 VanDerWaalsContact O-CG 3.27Å; I423-R427 WeakPolarHBondContact O-CG 3.35Å; I423-R427 PolarHBondContact O-N 3.29Å
424N78Confident82.6Confident89 Ų8989.1 Ų89.148%0.47645%0.451SS..Hα-helixtrans-68.2-36.7176.6-72.4-21.6000112K420 T421 R427 S428K420-N424 WeakPolarHBondContact O-CB 3.19Å; K420-N424 VanDerWaalsContact O-CG 3.23Å; K420-N424 PolarHBondContact O-N 2.95Å; K420-N424 PolarHBondContact O-ND2 2.73Å; T421-N424 PolarHBondContact O-N 3.06Å; T421-N424 VanDerWaalsContact O-N 3.1Å; N424-R427 PolarHBondContact O-N 3.45Å; N424-S428 WeakPolarHBondContact O-CB 3.22Å; N424-S428 PolarHBondContact O-N 3.18Å; N424-S428 PolarHBondContact O-OG 2.51Å
425E82.7Confident82.7Confident107 Ų10790.5 Ų90.550%0.545%0.446SS..Hα-helixtrans-63.7-45170.6-69.9177.8-169.900112.3T421 S422 S428 K429T421-E425 PolarHBondContact O-N 3.46Å; S422-E425 PolarHBondContact O-N 2.82Å; E425-S428 PolarHBondContact O-N 2.64Å; E425-K429 WeakPolarHBondContact O-CG 3.34Å; E425-K429 PolarHBondContact O-N 3.45Å
426M79.3Confident82.8Confident110 Ų11089.3 Ų89.354%0.54244%0.443SS..Hα-helixtrans-64.1-38.8175.9-74.1-171.3-73.200112.3S422 I423 K429 R430S422-M426 WeakPolarHBondContact O-CG 3.42Å; S422-M426 PolarHBondContact O-N 3.01Å; I423-M426 HydrophobicContact CG1-CE 4.13Å; I423-M426 PolarHBondContact O-N 3.28Å; M426-K429 PolarHBondContact O-N 2.88Å; M426-R430 WeakPolarHBondContact O-CB 3.34Å; M426-R430 PolarHBondContact O-N 3.12Å
427R82Confident82.8Confident125 Ų12591.9 Ų91.947%0.47245%0.453SS..Hα-helixtrans-61.5-45.7171.4-75.5172.6-176.9-157.61.4111I423 N424 K429 R430 D431I423-R427 HydrophobicContact CG2-CG 4.44Å; I423-R427 WeakPolarHBondContact O-CB 3.4Å; I423-R427 VanDerWaalsContact O-CG 3.27Å; I423-R427 WeakPolarHBondContact O-CG 3.35Å; I423-R427 PolarHBondContact O-N 3.29Å; N424-R427 PolarHBondContact O-N 3.45Å; R427-K429 VanDerWaalsContact C-N 3.3Å; R427-K429 PolarHBondContact O-N 3.34Å; R427-R430 WeakPolarHBondContact O-CB 3.25Å; R427-R430 PolarHBondContact O-N 2.9Å; R427-R430 VanDerWaalsContact O-N 3.16Å; R427-D431 WeakPolarHBondContact O-CB 3.49Å; R427-D431 PolarHBondContact O-N 2.91Å; R427-D431 VanDerWaalsContact O-OD1 3.12Å
428S80.8Confident82.9Confident79 Ų7992.2 Ų92.255%0.55245%0.45SS*.Hα-helixtrans-61.2-38.2178.6-57.10000112.3N424 E425 A432N424-S428 WeakPolarHBondContact O-CB 3.22Å; N424-S428 PolarHBondContact O-N 3.18Å; N424-S428 PolarHBondContact O-OG 2.51Å; E425-S428 PolarHBondContact O-N 2.64Å; S428-A432 PolarHBondContact O-N 3.26Å; S428-A432 VanDerWaalsContact O-N 3.08Å
429K84.3Confident82.9Confident123 Ų12391.6 Ų91.654%0.53544%0.441SS..Hα-helixtrans-67.6-45.3172.9-71.8174.4-178171.20112.3E425 M426 R427 D431 A432 Y433E425-K429 WeakPolarHBondContact O-CG 3.34Å; E425-K429 PolarHBondContact O-N 3.45Å; M426-K429 PolarHBondContact O-N 2.88Å; R427-K429 VanDerWaalsContact C-N 3.3Å; R427-K429 PolarHBondContact O-N 3.34Å; K429-D431 VanDerWaalsContact C-N 3.34Å; K429-D431 PolarHBondContact O-N 3.5Å; K429-A432 WeakPolarHBondContact O-CB 3.32Å; K429-A432 PolarHBondContact O-N 2.97Å; K429-Y433 HydrophobicContact CB-CE2 4.39Å; K429-Y433 VanDerWaalsContact O-CD2 3.27Å; K429-Y433 WeakPolarHBondContact O-CD2 3.28Å; K429-Y433 PolarHBondContact O-N 3.37Å
430R85.7Confident82.7Confident125 Ų12590.9 Ų90.947%0.47244%0.439SS..Hα-helixtrans-58.4-46.4174179.9-157.563.31690.5111.1M426 R427 A432 Y433 E434M426-R430 WeakPolarHBondContact O-CB 3.34Å; M426-R430 PolarHBondContact O-N 3.12Å; R427-R430 WeakPolarHBondContact O-CB 3.25Å; R427-R430 PolarHBondContact O-N 2.9Å; R427-R430 VanDerWaalsContact O-N 3.16Å; R430-A432 PolarHBondContact O-N 3.39Å; R430-Y433 CarbonylContact O-C 3.53Å; R430-Y433 PolarHBondContact O-N 3.41Å; R430-Y433 VanDerWaalsContact O-N 3.1Å; R430-E434 VanDerWaalsContact CD-OE1 3.27Å; R430-E434 WeakPolarHBondContact CD-OE1 3.49Å; R430-E434 HydrophobicContact CG-CG 4.34Å; R430-E434 WeakPolarHBondContact CG-OE1 3.39Å; R430-E434 IonicContact CZ-OE1 2.89Å; R430-E434 IonicContact NE-OE1 3.18Å; R430-E434 PolarHBondContact NE-OE1 2.96Å; R430-E434 WeakPolarHBondContact O-CB 3.46Å; R430-E434 PolarHBondContact O-N 3.41Å
431D83.8Confident82.6Confident67 Ų6790.9 Ų90.936%0.35845%0.445SS..Hα-helixtrans-69.3-25.7-176.9-61.3-4.2000111.7R427 K429 R435R427-D431 WeakPolarHBondContact O-CB 3.49Å; R427-D431 PolarHBondContact O-N 2.91Å; R427-D431 VanDerWaalsContact O-OD1 3.12Å; K429-D431 VanDerWaalsContact C-N 3.34Å; K429-D431 PolarHBondContact O-N 3.5Å; D431-R435 PolarHBondContact O-N 3.38Å
432A83.4Confident82.4Confident29 Ų2990.1 Ų90.124%0.2444%0.436CS..Hα-helixtrans-69.5-50.9165.900000111.4S428 K429 R430 E434 R435 D436S428-A432 PolarHBondContact O-N 3.26Å; S428-A432 VanDerWaalsContact O-N 3.08Å; K429-A432 WeakPolarHBondContact O-CB 3.32Å; K429-A432 PolarHBondContact O-N 2.97Å; R430-A432 PolarHBondContact O-N 3.39Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.46Å; A432-R435 WeakPolarHBondContact O-CA 3.41Å; A432-R435 VanDerWaalsContact O-CB 3.27Å; A432-R435 WeakPolarHBondContact O-CB 3.05Å; A432-R435 PolarHBondContact O-N 2.96Å; A432-D436 PolarHBondContact O-N 3.42Å
433Y85.1Confident81.9Confident150 Ų15093.2 Ų93.259%0.58845%0.445SS*.Hα-helixtrans-62.2-36.4177.3-60-37.1000113.2K429 R430 R435 D436 I437K429-Y433 HydrophobicContact CB-CE2 4.39Å; K429-Y433 VanDerWaalsContact O-CD2 3.27Å; K429-Y433 WeakPolarHBondContact O-CD2 3.28Å; K429-Y433 PolarHBondContact O-N 3.37Å; R430-Y433 CarbonylContact O-C 3.53Å; R430-Y433 PolarHBondContact O-N 3.41Å; R430-Y433 VanDerWaalsContact O-N 3.1Å; Y433-R435 PolarHBondContact O-N 3.16Å; Y433-D436 PolarHBondContact O-N 2.84Å; Y433-I437 VanDerWaalsContact O-CB 3.32Å; Y433-I437 WeakPolarHBondContact O-CB 3.44Å; Y433-I437 WeakPolarHBondContact O-CD1 3.41Å; Y433-I437 WeakPolarHBondContact O-CG1 3.41Å; Y433-I437 PolarHBondContact O-N 3.03Å
434E83.9Confident81.6Confident64 Ų6493.1 Ų93.130%0.29945%0.447SS..Hα-helixtrans-68-20.5172.2-77.6-175.7-150.900112.9R430 A432 R438 N717R430-E434 VanDerWaalsContact CD-OE1 3.27Å; R430-E434 WeakPolarHBondContact CD-OE1 3.49Å; R430-E434 HydrophobicContact CG-CG 4.34Å; R430-E434 WeakPolarHBondContact CG-OE1 3.39Å; R430-E434 IonicContact CZ-OE1 2.89Å; R430-E434 IonicContact NE-OE1 3.18Å; R430-E434 PolarHBondContact NE-OE1 2.96Å; R430-E434 WeakPolarHBondContact O-CB 3.46Å; R430-E434 PolarHBondContact O-N 3.41Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.46Å; E434-R438 WeakPolarHBondContact O-CG 3.4Å; E434-R438 PolarHBondContact O-NE 3.46Å; E434-N717 PolarHBondContact OE2-ND2 3.41Å
435R85.9Confident81.6Confident124 Ų12493.1 Ų93.147%0.46845%0.445SS..Hα-helixtrans-79.4-52.1169.2-162.8-172.7-54.7107.83.5109.9D431 A432 Y433 I437 R438 D439D431-R435 PolarHBondContact O-N 3.38Å; A432-R435 WeakPolarHBondContact O-CA 3.41Å; A432-R435 VanDerWaalsContact O-CB 3.27Å; A432-R435 WeakPolarHBondContact O-CB 3.05Å; A432-R435 PolarHBondContact O-N 2.96Å; Y433-R435 PolarHBondContact O-N 3.16Å; R435-I437 VanDerWaalsContact C-N 3.27Å; R435-I437 PolarHBondContact O-N 2.85Å; R435-R438 WeakPolarHBondContact O-CA 3.48Å; R435-R438 PolarHBondContact O-N 2.87Å; R435-D439 PolarHBondContact O-N 3.15Å
436D83.5Confident81.2Confident84 Ų8489.6 Ų89.645%0.44943%0.433SS..Hα-helixtrans-57.8-38.9179.5-58.3-15.4000112A432 Y433 M440A432-D436 PolarHBondContact O-N 3.42Å; Y433-D436 PolarHBondContact O-N 2.84Å; D436-M440 VanDerWaalsContact O-CB 3.32Å; D436-M440 WeakPolarHBondContact O-CB 3.19Å; D436-M440 WeakPolarHBondContact O-CG 3.23Å; D436-M440 PolarHBondContact O-N 3.41Å
437I81.1Confident80.8Confident113 Ų11387.1 Ų87.158%0.57943%0.43SS*.Hα-helixtrans-66.2-39.9174.2-71.5166.1000111.5Y433 R435 T441Y433-I437 VanDerWaalsContact O-CB 3.32Å; Y433-I437 WeakPolarHBondContact O-CB 3.44Å; Y433-I437 WeakPolarHBondContact O-CD1 3.41Å; Y433-I437 WeakPolarHBondContact O-CG1 3.41Å; Y433-I437 PolarHBondContact O-N 3.03Å; R435-I437 VanDerWaalsContact C-N 3.27Å; R435-I437 PolarHBondContact O-N 2.85Å; I437-T441 WeakPolarHBondContact O-CB 3.4Å; I437-T441 PolarHBondContact O-N 2.87Å; I437-T441 PolarHBondContact O-OG1 3.25Å
438R83.6Confident80.5Confident71 Ų7186 Ų8627%0.26843%0.429SS..Hα-helixtrans-67.3-47.2176.3-82179.9-67.1138.23.5111.2E434 R435 M440 T441 E442E434-R438 WeakPolarHBondContact O-CG 3.4Å; E434-R438 PolarHBondContact O-NE 3.46Å; R435-R438 WeakPolarHBondContact O-CA 3.48Å; R435-R438 PolarHBondContact O-N 2.87Å; R438-M440 VanDerWaalsContact C-N 3.28Å; R438-M440 PolarHBondContact O-N 3.45Å; R438-T441 PolarHBondContact O-N 2.83Å; R438-T441 VanDerWaalsContact O-N 3.08Å; R438-E442 WeakPolarHBondContact O-CB 3.37Å; R438-E442 PolarHBondContact O-N 3.21Å
439D81.7Confident80.3Confident66 Ų6683.9 Ų83.935%0.35342%0.416SS..Hα-helixtrans-60.9-37.2177.9-67.75.7000111.6R435 Q443R435-D439 PolarHBondContact O-N 3.15Å; D439-Q443 WeakPolarHBondContact O-CB 3.2Å; D439-Q443 VanDerWaalsContact O-CG 3.32Å; D439-Q443 WeakPolarHBondContact O-CG 3.27Å; D439-Q443 PolarHBondContact O-N 2.84Å; D439-Q443 VanDerWaalsContact O-N 3.12Å; D439-Q443 PolarHBondContact O-NE2 2.87Å
440M81Confident79.8Confident103 Ų10383 Ų8351%0.50741%0.414SS..Hα-helixtrans-73.8-34.3173.2-71.1-86.771.500113.3D436 R438 Q443 V444D436-M440 VanDerWaalsContact O-CB 3.32Å; D436-M440 WeakPolarHBondContact O-CB 3.19Å; D436-M440 WeakPolarHBondContact O-CG 3.23Å; D436-M440 PolarHBondContact O-N 3.41Å; R438-M440 VanDerWaalsContact C-N 3.28Å; R438-M440 PolarHBondContact O-N 3.45Å; M440-Q443 HydrophobicContact CE-CB 4.07Å; M440-Q443 VanDerWaalsContact CE-CD 3.4Å; M440-Q443 HydrophobicContact CE-CG 4.32Å; M440-Q443 PolarHBondContact O-N 2.85Å; M440-V444 WeakPolarHBondContact O-CB 3.48Å; M440-V444 VanDerWaalsContact O-CG2 3.31Å; M440-V444 WeakPolarHBondContact O-CG2 3.45Å; M440-V444 PolarHBondContact O-N 3.26Å
441T80Confident79.2Confident73 Ų7382 Ų8245%0.44842%0.417SS..Hα-helixtrans-67.9-43.1174.7-55.20000110.9I437 R438 Q443 V444 E445I437-T441 WeakPolarHBondContact O-CB 3.4Å; I437-T441 PolarHBondContact O-N 2.87Å; I437-T441 PolarHBondContact O-OG1 3.25Å; R438-T441 PolarHBondContact O-N 2.83Å; R438-T441 VanDerWaalsContact O-N 3.08Å; T441-Q443 VanDerWaalsContact C-N 3.34Å; T441-Q443 PolarHBondContact O-N 3.48Å; T441-V444 PolarHBondContact O-N 3.35Å; T441-V444 VanDerWaalsContact O-N 3.17Å; T441-E445 HydrophobicContact CG2-CG 4.49Å; T441-E445 PolarHBondContact O-N 3.34Å
442E80.2Confident78.8Confident63 Ų6381.5 Ų81.529%0.29442%0.417SS..Hα-helixtrans-59-44.3174-170.6176.5-164.600110.7R438 V444 E445 A446 K763R438-E442 WeakPolarHBondContact O-CB 3.37Å; R438-E442 PolarHBondContact O-N 3.21Å; E442-V444 PolarHBondContact O-N 2.86Å; E442-E445 PolarHBondContact O-N 3.28Å; E442-A446 VanDerWaalsContact O-CB 3.25Å; E442-A446 WeakPolarHBondContact O-CB 3.33Å; E442-A446 PolarHBondContact O-N 3.27Å; E442-K763 WeakPolarHBondContact OE1-CB 3.2Å; E442-K763 WeakPolarHBondContact OE1-CD 3.44Å; E442-K763 WeakPolarHBondContact OE1-CG 3.32Å; E442-K763 IonicContact OE1-NZ 2.82Å; E442-K763 PolarHBondContact OE1-NZ 2.85Å; E442-K763 IonicContact OE2-NZ 3.41Å; E442-K763 PolarHBondContact OE2-NZ 2.96Å
443Q74Confident78.4Confident117 Ų11784.9 Ų84.955%0.54743%0.428SS..Hα-helixtrans-64.6-36.1174.4-76.6173.862.400113.6D439 M440 T441 A447D439-Q443 WeakPolarHBondContact O-CB 3.2Å; D439-Q443 VanDerWaalsContact O-CG 3.32Å; D439-Q443 WeakPolarHBondContact O-CG 3.27Å; D439-Q443 PolarHBondContact O-N 2.84Å; D439-Q443 VanDerWaalsContact O-N 3.12Å; D439-Q443 PolarHBondContact O-NE2 2.87Å; M440-Q443 HydrophobicContact CE-CB 4.07Å; M440-Q443 VanDerWaalsContact CE-CD 3.4Å; M440-Q443 HydrophobicContact CE-CG 4.32Å; M440-Q443 PolarHBondContact O-N 2.85Å; T441-Q443 VanDerWaalsContact C-N 3.34Å; T441-Q443 PolarHBondContact O-N 3.48Å; Q443-A447 VanDerWaalsContact O-CB 3.3Å; Q443-A447 WeakPolarHBondContact O-CB 3.42Å; Q443-A447 PolarHBondContact O-N 3.05Å
444V74.3Confident77.9Confident74 Ų7481.4 Ų81.445%0.44841%0.414SS..Hα-helixtrans-71.4-42.3176.6165.80000111.7M440 T441 E442 A447 K448M440-V444 WeakPolarHBondContact O-CB 3.48Å; M440-V444 VanDerWaalsContact O-CG2 3.31Å; M440-V444 WeakPolarHBondContact O-CG2 3.45Å; M440-V444 PolarHBondContact O-N 3.26Å; T441-V444 PolarHBondContact O-N 3.35Å; T441-V444 VanDerWaalsContact O-N 3.17Å; E442-V444 PolarHBondContact O-N 2.86Å; V444-A447 PolarHBondContact O-N 3.29Å; V444-K448 HydrophobicContact CG1-CD 4.2Å; V444-K448 WeakPolarHBondContact O-CG 3.25Å; V444-K448 PolarHBondContact O-N 2.72Å
445E77.4Confident77.5Confident89 Ų8982.9 Ų82.942%0.41642%0.42SS..Hα-helixtrans-69.3-39.2176.1-65.3-48.813500111.9T441 E442 A447 K448 A449T441-E445 HydrophobicContact CG2-CG 4.49Å; T441-E445 PolarHBondContact O-N 3.34Å; E442-E445 PolarHBondContact O-N 3.28Å; E445-A447 VanDerWaalsContact C-N 3.33Å; E445-A447 PolarHBondContact O-N 3.46Å; E445-K448 PolarHBondContact O-N 2.84Å; E445-K448 VanDerWaalsContact O-N 3.17Å; E445-K448 IonicContact OE1-NZ 3.28Å; E445-K448 PolarHBondContact OE1-NZ 2.98Å; E445-K448 VanDerWaalsContact OE2-CD 3.23Å; E445-K448 WeakPolarHBondContact OE2-CD 3.41Å; E445-K448 IonicContact OE2-NZ 2.85Å; E445-A449 WeakPolarHBondContact O-CB 3.36Å; E445-A449 PolarHBondContact O-N 2.97Å
446A73.7Confident77.1Confident32 Ų3284.1 Ų84.126%0.26443%0.425SS..Hα-helixtrans-58.7-43.7170.700000111.7E442 K448 A449 E450E442-A446 VanDerWaalsContact O-CB 3.25Å; E442-A446 WeakPolarHBondContact O-CB 3.33Å; E442-A446 PolarHBondContact O-N 3.27Å; A446-K448 PolarHBondContact O-N 3.2Å; A446-A449 PolarHBondContact O-N 3.08Å; A446-E450 PolarHBondContact O-N 2.93Å
447A70.8Confident76.7Confident58 Ų5882.9 Ų82.948%0.47942%0.417SS..Hα-helixtrans-65.6-34175.400000113.3Q443 V444 E445 L451Q443-A447 VanDerWaalsContact O-CB 3.3Å; Q443-A447 WeakPolarHBondContact O-CB 3.42Å; Q443-A447 PolarHBondContact O-N 3.05Å; V444-A447 PolarHBondContact O-N 3.29Å; E445-A447 VanDerWaalsContact C-N 3.33Å; E445-A447 PolarHBondContact O-N 3.46Å; A447-L451 WeakPolarHBondContact O-CB 3.42Å; A447-L451 PolarHBondContact O-N 3.21Å
448K75.6Confident76.3Confident101 Ų10185 Ų8544%0.43942%0.422SS..Hα-helixtrans-71.1-37.1172.5-73.5166.4176.9176.70112.4V444 E445 A446 L451 T452V444-K448 HydrophobicContact CG1-CD 4.2Å; V444-K448 WeakPolarHBondContact O-CG 3.25Å; V444-K448 PolarHBondContact O-N 2.72Å; E445-K448 PolarHBondContact O-N 2.84Å; E445-K448 VanDerWaalsContact O-N 3.17Å; E445-K448 IonicContact OE1-NZ 3.28Å; E445-K448 PolarHBondContact OE1-NZ 2.98Å; E445-K448 VanDerWaalsContact OE2-CD 3.23Å; E445-K448 WeakPolarHBondContact OE2-CD 3.41Å; E445-K448 IonicContact OE2-NZ 2.85Å; A446-K448 PolarHBondContact O-N 3.2Å; K448-L451 PolarHBondContact O-N 3.23Å; K448-T452 PolarHBondContact O-N 3.4Å; K448-T452 PolarHBondContact O-OG1 3.06Å
449A76.5Confident75.9Confident35 Ų3587.6 Ų87.629%0.28944%0.437SS..Hα-helixtrans-65.2-44.4174.900000110.8E445 A446 T452 H453 I766E445-A449 WeakPolarHBondContact O-CB 3.36Å; E445-A449 PolarHBondContact O-N 2.97Å; A446-A449 PolarHBondContact O-N 3.08Å; A449-T452 PolarHBondContact O-N 3.34Å; A449-T452 PolarHBondContact O-OG1 3Å; A449-T452 VanDerWaalsContact O-OG1 3.12Å; A449-H453 WeakPolarHBondContact O-CB 3.25Å; A449-H453 PolarHBondContact O-N 3.47Å; A449-I766 HydrophobicContact CB-CD1 3.86Å
450E74.4Confident75.4Confident105 Ų10590.7 Ų90.749%0.49145%0.449SS..Hα-helixtrans-58.9-46.7169.1-76.2-163.2171.100111.6A446 T452 H453 W454 R488A446-E450 PolarHBondContact O-N 2.93Å; E450-T452 VanDerWaalsContact C-N 3.34Å; E450-T452 PolarHBondContact O-N 2.78Å; E450-H453 WeakPolarHBondContact O-CB 3.26Å; E450-H453 PolarHBondContact O-N 3Å; E450-W454 PolarHBondContact O-N 3.23Å; E450-R488 IonicContact OE2-CZ 3.84Å; E450-R488 IonicContact OE2-NH2 2.72Å; E450-R488 PolarHBondContact OE2-NH2 3.38Å
451L73.3Confident74.6Confident103 Ų10388.6 Ų88.654%0.53944%0.44SS..Hα-helixtrans-59.4-44.6-179.6-176.863000111.8A447 K448 W454 Q455A447-L451 WeakPolarHBondContact O-CB 3.42Å; A447-L451 PolarHBondContact O-N 3.21Å; K448-L451 PolarHBondContact O-N 3.23Å; L451-W454 PolarHBondContact O-N 3.26Å; L451-Q455 WeakPolarHBondContact O-CB 3.38Å; L451-Q455 VanDerWaalsContact O-CG 3.29Å; L451-Q455 WeakPolarHBondContact O-CG 3.26Å; L451-Q455 PolarHBondContact O-N 3.41Å; L451-Q455 PolarHBondContact O-OE1 3.3Å
452T74.9Confident73.9Confident57 Ų5788.5 Ų88.535%0.3544%0.442SS..Hα-helixtrans-71.8-31.2177.6490000113.1K448 A449 E450 R456K448-T452 PolarHBondContact O-N 3.4Å; K448-T452 PolarHBondContact O-OG1 3.06Å; A449-T452 PolarHBondContact O-N 3.34Å; A449-T452 PolarHBondContact O-OG1 3Å; A449-T452 VanDerWaalsContact O-OG1 3.12Å; E450-T452 VanDerWaalsContact C-N 3.34Å; E450-T452 PolarHBondContact O-N 2.78Å; T452-R456 WeakPolarHBondContact O-CG 3.27Å; T452-R456 PolarHBondContact O-N 3.29Å; T452-R456 VanDerWaalsContact O-N 3.1Å; T452-R456 PolarHBondContact O-NH1 3.24Å
453H76.3Confident73.3Confident101 Ų10191.5 Ų91.547%0.46846%0.46SS..Hα-helixtrans-58.4-55.6167.4176.7-80.4000110.7A449 E450 Q455 R456 E457A449-H453 WeakPolarHBondContact O-CB 3.25Å; A449-H453 PolarHBondContact O-N 3.47Å; E450-H453 WeakPolarHBondContact O-CB 3.26Å; E450-H453 PolarHBondContact O-N 3Å; H453-Q455 VanDerWaalsContact C-N 3.27Å; H453-Q455 PolarHBondContact O-N 3.42Å; H453-R456 PolarHBondContact O-N 3.44Å; H453-R456 VanDerWaalsContact O-N 3.15Å; H453-E457 IonicContact CE1-OE2 2.78Å; H453-E457 PolarHBondContact CE1-OE2 3.41Å; H453-E457 IonicContact ND1-OE2 2.7Å; H453-E457 PolarHBondContact O-N 2.92Å
454W73.6Confident72.9Confident76 Ų7695 Ų9529%0.28847%0.468SS..Hα-helixtrans-65.8-26.3-179.4-73.7108.4000113.3E450 L451 E457 K458 L481 M484 R488E450-W454 PolarHBondContact O-N 3.23Å; L451-W454 PolarHBondContact O-N 3.26Å; W454-E457 VanDerWaalsContact CE3-OE2 3.27Å; W454-E457 WeakPolarHBondContact CZ3-OE2 3.4Å; W454-K458 VanDerWaalsContact O-CB 3.23Å; W454-K458 WeakPolarHBondContact O-CB 3.33Å; W454-K458 PolarHBondContact O-N 3.48Å; W454-L481 HydrophobicContact CE3-CD2 4.24Å; W454-L481 HydrophobicContact CH2-CD2 4.31Å; W454-L481 HydrophobicContact CZ3-CD2 3.74Å; W454-M484 HydrophobicContact CH2-CE 3.83Å; W454-M484 HydrophobicContact CZ2-CE 3.96Å; W454-R488 VanDerWaalsContact CD1-NH1 3.3Å
455Q75Confident72Confident95 Ų9598.5 Ų98.544%0.44448%0.481SS..Hα-helixtrans-67.3-47.9169.8-77.6170.7-55.300111.9L451 H453 E457 K458 E459L451-Q455 WeakPolarHBondContact O-CB 3.38Å; L451-Q455 VanDerWaalsContact O-CG 3.29Å; L451-Q455 WeakPolarHBondContact O-CG 3.26Å; L451-Q455 PolarHBondContact O-N 3.41Å; L451-Q455 PolarHBondContact O-OE1 3.3Å; H453-Q455 VanDerWaalsContact C-N 3.27Å; H453-Q455 PolarHBondContact O-N 3.42Å; Q455-E457 PolarHBondContact O-N 3Å; Q455-K458 WeakPolarHBondContact O-CB 3.23Å; Q455-K458 PolarHBondContact O-N 3.45Å; Q455-E459 WeakPolarHBondContact O-CG 3.45Å; Q455-E459 PolarHBondContact O-N 2.91Å
456R78.8Confident71.3Confident150 Ų15098.4 Ų98.457%0.56650%0.496SS*.Hα-helixtrans-62.7-41.3175.5-68.3-175.1-16293.8-6.4112T452 H453 E459 Q460T452-R456 WeakPolarHBondContact O-CG 3.27Å; T452-R456 PolarHBondContact O-N 3.29Å; T452-R456 VanDerWaalsContact O-N 3.1Å; T452-R456 PolarHBondContact O-NH1 3.24Å; H453-R456 PolarHBondContact O-N 3.44Å; H453-R456 VanDerWaalsContact O-N 3.15Å; R456-E459 PolarHBondContact O-N 2.99Å; R456-Q460 WeakPolarHBondContact O-CG 3.27Å; R456-Q460 PolarHBondContact O-N 2.72Å
457E75Confident70.7Confident59 Ų59100.2 Ų100.228%0.27651%0.511SS..Hα-helixtrans-65.5-40.2177.8-168.6174.9173.900111.3H453 W454 Q455 E459 Q460 L461H453-E457 IonicContact CE1-OE2 2.78Å; H453-E457 PolarHBondContact CE1-OE2 3.41Å; H453-E457 IonicContact ND1-OE2 2.7Å; H453-E457 PolarHBondContact O-N 2.92Å; W454-E457 VanDerWaalsContact CE3-OE2 3.27Å; W454-E457 WeakPolarHBondContact CZ3-OE2 3.4Å; Q455-E457 PolarHBondContact O-N 3Å; E457-E459 VanDerWaalsContact C-N 3.34Å; E457-E459 PolarHBondContact O-N 3.3Å; E457-Q460 PolarHBondContact O-N 2.64Å; E457-L461 HydrophobicContact CG-CD1 4.24Å; E457-L461 WeakPolarHBondContact O-CB 3.31Å; E457-L461 VanDerWaalsContact O-CG 3.3Å; E457-L461 WeakPolarHBondContact O-CG 3.5Å; E457-L461 PolarHBondContact O-N 3.45Å
458K73Confident69.8Low157 Ų157101 Ų10168%0.68353%0.525SS*.Hα-helixtrans-59.8-41.6170.8-178.1-168.7173.1-164.70112W454 Q455 L461 S462W454-K458 VanDerWaalsContact O-CB 3.23Å; W454-K458 WeakPolarHBondContact O-CB 3.33Å; W454-K458 PolarHBondContact O-N 3.48Å; Q455-K458 WeakPolarHBondContact O-CB 3.23Å; Q455-K458 PolarHBondContact O-N 3.45Å; K458-L461 PolarHBondContact O-N 2.8Å; K458-S462 VanDerWaalsContact O-CB 3.27Å; K458-S462 WeakPolarHBondContact O-CB 3.21Å; K458-S462 PolarHBondContact O-N 3.29Å
459E73.3Confident68.7Low125 Ų125101.8 Ų101.858%0.58454%0.537SS*.Hα-helixtrans-65.4-43.5176.4-74.2170.1-179.900111.8Q455 R456 E457 L461 S462 L463Q455-E459 WeakPolarHBondContact O-CG 3.45Å; Q455-E459 PolarHBondContact O-N 2.91Å; R456-E459 PolarHBondContact O-N 2.99Å; E457-E459 VanDerWaalsContact C-N 3.34Å; E457-E459 PolarHBondContact O-N 3.3Å; E459-L461 PolarHBondContact O-N 3.33Å; E459-S462 WeakPolarHBondContact O-CB 3.44Å; E459-S462 PolarHBondContact O-N 3Å; E459-L463 WeakPolarHBondContact O-CG 3.36Å; E459-L463 PolarHBondContact O-N 3.25Å
460Q71.7Confident67.7Low131 Ų131106.7 Ų106.761%0.61256%0.559SS**Hα-helixtrans-62.2-41.9174.1-72.2-175.26.700112.6R456 E457 L463 R464R456-Q460 WeakPolarHBondContact O-CG 3.27Å; R456-Q460 PolarHBondContact O-N 2.72Å; E457-Q460 PolarHBondContact O-N 2.64Å; Q460-L463 PolarHBondContact O-N 2.98Å; Q460-R464 PolarHBondContact O-N 2.91Å
461L65Low66.5Low59 Ų59107.5 Ų107.531%0.30956%0.564SS.*Hα-helixtrans-67.6-37.8175.2-71.2170.5000111.7E457 K458 E459 L463 R464 M465E457-L461 HydrophobicContact CG-CD1 4.24Å; E457-L461 WeakPolarHBondContact O-CB 3.31Å; E457-L461 VanDerWaalsContact O-CG 3.3Å; E457-L461 WeakPolarHBondContact O-CG 3.5Å; E457-L461 PolarHBondContact O-N 3.45Å; K458-L461 PolarHBondContact O-N 2.8Å; E459-L461 PolarHBondContact O-N 3.33Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 2.96Å; L461-R464 PolarHBondContact O-N 3.46Å; L461-M465 WeakPolarHBondContact O-CG 3.37Å; L461-M465 PolarHBondContact O-N 2.79Å
462S65.4Low65.7Low72 Ų72109.4 Ų109.450%0.50358%0.575SS.*Hα-helixtrans-64-38.1173.8-169.50000112.1K458 E459 M465 A466K458-S462 VanDerWaalsContact O-CB 3.27Å; K458-S462 WeakPolarHBondContact O-CB 3.21Å; K458-S462 PolarHBondContact O-N 3.29Å; E459-S462 WeakPolarHBondContact O-CB 3.44Å; E459-S462 PolarHBondContact O-N 3Å; S462-M465 PolarHBondContact O-N 3.05Å; S462-A466 PolarHBondContact O-N 2.96Å; S462-A466 VanDerWaalsContact O-N 3.09Å
463L67.7Low64.8Low125 Ų125111.4 Ų111.465%0.65459%0.589SS**Hα-helixtrans-67.6-40.2173.6-76.1162.1000111.8E459 Q460 L461 A466 A467E459-L463 WeakPolarHBondContact O-CG 3.36Å; E459-L463 PolarHBondContact O-N 3.25Å; Q460-L463 PolarHBondContact O-N 2.98Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 2.96Å; L463-A466 PolarHBondContact O-N 3.3Å; L463-A467 WeakPolarHBondContact O-CB 3.4Å; L463-A467 PolarHBondContact O-N 3.07Å; L463-A467 VanDerWaalsContact O-N 3.17Å
464R65.1Low63.8Low191 Ų191109.5 Ų109.572%0.72158%0.584SS**Hα-helixtrans-63.6-41.6172.6-84.7-176.1171.4159.1-0.4112.7Q460 L461 A466 A467Q460-R464 PolarHBondContact O-N 2.91Å; L461-R464 PolarHBondContact O-N 3.46Å; R464-A466 VanDerWaalsContact C-N 3.28Å; R464-A466 PolarHBondContact O-N 2.83Å; R464-A467 PolarHBondContact O-N 2.94Å; R464-A467 VanDerWaalsContact O-N 3.07Å
465M56Low62.9Low147 Ų147112.1 Ų112.172%0.72460%0.601SS**Hα-helixtrans-61.4-36.2174.4-79176.551.800112.4L461 S462 A467L461-M465 WeakPolarHBondContact O-CG 3.37Å; L461-M465 PolarHBondContact O-N 2.79Å; S462-M465 PolarHBondContact O-N 3.05Å; M465-A467 VanDerWaalsContact C-N 3.28Å; M465-A467 PolarHBondContact O-N 3.42Å
466A62.7Low62.4Low88 Ų88114.9 Ų114.973%0.72761%0.614SS**Hα-helixtrans-71.9-19.4174.700000113.6S462 L463 R464S462-A466 PolarHBondContact O-N 2.96Å; S462-A466 VanDerWaalsContact O-N 3.09Å; L463-A466 PolarHBondContact O-N 3.3Å; R464-A466 VanDerWaalsContact C-N 3.28Å; R464-A466 PolarHBondContact O-N 2.83Å
467A60.3Low61.4Low70 Ų70113.5 Ų113.558%0.57961%0.614SS**THydrogen-bonded Turntrans-91.3-1.2-174.400000115.2L463 R464 M465 V469L463-A467 WeakPolarHBondContact O-CB 3.4Å; L463-A467 PolarHBondContact O-N 3.07Å; L463-A467 VanDerWaalsContact O-N 3.17Å; R464-A467 PolarHBondContact O-N 2.94Å; R464-A467 VanDerWaalsContact O-N 3.07Å; M465-A467 VanDerWaalsContact C-N 3.28Å; M465-A467 PolarHBondContact O-N 3.42Å; A467-V469 PolarHBondContact O-N 3.17Å
468G52.1Low60.8Low75 Ų75117.2 Ų117.277%0.77363%0.626SS**THydrogen-bonded Turntrans67.233.3165.400000116.8
469V53.2Low60.7Low116 Ų116116.9 Ų116.970%0.70363%0.625SS**  trans-104.2148.7179-174.10000111.6A467A467-V469 PolarHBondContact O-N 3.17Å
470D54Low60.7Low138 Ų138115.1 Ų115.174%0.73862%0.623SS**  trans-45.3141.5-167-160.4-3.9000116.7
471M49.1Very low60.4Low123 Ų123111.8 Ų111.861%0.60661%0.609SS**  trans-105.9-0.2-152.8-75-78.5-91.900115.8V474M471-V474 WeakPolarHBondContact O-CB 3.45Å; M471-V474 PolarHBondContact O-N 2.93Å; M471-V474 HydrophobicContact SD-CG2 4.44Å
472N57Low60.6Low143 Ų143112.6 Ų112.677%0.76561%0.611SS**THydrogen-bonded Turntrans-67.6-37-168.2-110.7-22.6000116.7V474N472-V474 VanDerWaalsContact C-N 3.28Å; N472-V474 PolarHBondContact O-N 2.93Å
473P56.5Low61Low98 Ų98113 Ų11364%0.63661%0.614SS**THydrogen-bonded Turntrans-73.7-17.7177.4-16.531000114M475P473-M475 PolarHBondContact O-N 3.37Å
474V55.3Low61.4Low62 Ų62110.8 Ų110.838%0.37660%0.601SS.*Hα-helixtrans-73.4-30.9-166.6-176.50000112.1M471 N472 E476 Y478M471-V474 WeakPolarHBondContact O-CB 3.45Å; M471-V474 PolarHBondContact O-N 2.93Å; M471-V474 HydrophobicContact SD-CG2 4.44Å; N472-V474 VanDerWaalsContact C-N 3.28Å; N472-V474 PolarHBondContact O-N 2.93Å; V474-E476 VanDerWaalsContact C-N 3.33Å; V474-E476 PolarHBondContact O-N 2.98Å; V474-Y478 WeakPolarHBondContact O-CB 3.39Å; V474-Y478 PolarHBondContact O-N 2.93Å
475M55.2Low61.7Low130 Ų130109.2 Ų109.264%0.6460%0.595SS**Hα-helixtrans-68.4-29.1-173.2-161.7106.6-60.900113.5P473 K479P473-M475 PolarHBondContact O-N 3.37Å; M475-K479 PolarHBondContact O-N 3.06Å
476E63.2Low62.7Low153 Ų153107.4 Ų107.472%0.71559%0.585SS**Hα-helixtrans-85.1-40.6-178.2-158154.8-128.400111.6V474 Y478 K479 T480V474-E476 VanDerWaalsContact C-N 3.33Å; V474-E476 PolarHBondContact O-N 2.98Å; E476-Y478 VanDerWaalsContact C-N 3.26Å; E476-Y478 PolarHBondContact O-N 2.89Å; E476-K479 PolarHBondContact O-N 2.62Å; E476-T480 PolarHBondContact O-N 3.19Å; E476-T480 PolarHBondContact O-OG1 2.96Å
477Q57.5Low63.5Low122 Ų122105.9 Ų105.957%0.5757%0.572SS**Hα-helixtrans-57.5-39.4167.1-74.6-174.2-29.900112K479 T480 L481Q477-K479 PolarHBondContact O-N 2.75Å; Q477-T480 PolarHBondContact O-N 3.03Å; Q477-L481 WeakPolarHBondContact O-CB 3.38Å; Q477-L481 PolarHBondContact O-N 2.94Å
478Y63.5Low64.2Low137 Ų137107.2 Ų107.254%0.53756%0.562SS.*Hα-helixtrans-59.9-42.1177.5-174.7-97.8000112.7V474 E476 L481 Q482V474-Y478 WeakPolarHBondContact O-CB 3.39Å; V474-Y478 PolarHBondContact O-N 2.93Å; E476-Y478 VanDerWaalsContact C-N 3.26Å; E476-Y478 PolarHBondContact O-N 2.89Å; Y478-L481 PolarHBondContact O-N 2.75Å; Y478-Q482 WeakPolarHBondContact O-CB 3.31Å; Y478-Q482 PolarHBondContact O-N 2.92Å; Y478-Q482 PolarHBondContact OH-OE1 3.41Å
479K71.8Confident65.4Low149 Ų149106.8 Ų106.865%0.64854%0.542SS*.Hα-helixtrans-63.1-44.8176-73.6178.1179.9174.30112.2M475 E476 Q477 Q482 S483M475-K479 PolarHBondContact O-N 3.06Å; E476-K479 PolarHBondContact O-N 2.62Å; Q477-K479 PolarHBondContact O-N 2.75Å; K479-Q482 PolarHBondContact O-N 2.78Å; K479-S483 PolarHBondContact O-N 2.92Å
480T72.2Confident66.8Low88 Ų88108 Ų10854%0.5454%0.538SS..Hα-helixtrans-64.8-44.8178.5-54.20000111.3E476 Q477 Q482 S483 M484E476-T480 PolarHBondContact O-N 3.19Å; E476-T480 PolarHBondContact O-OG1 2.96Å; Q477-T480 PolarHBondContact O-N 3.03Å; T480-Q482 VanDerWaalsContact C-N 3.32Å; T480-Q482 PolarHBondContact O-N 3.15Å; T480-S483 PolarHBondContact O-N 3.07Å; T480-M484 WeakPolarHBondContact O-CG 3.37Å; T480-M484 PolarHBondContact O-N 3.4Å
481L64.8Low67.8Low61 Ų61104.9 Ų104.932%0.31952%0.523SS..Hα-helixtrans-59.4-39.4173.6-91.2158.5000112.7W454 Q477 Y478 M484 R485W454-L481 HydrophobicContact CE3-CD2 4.24Å; W454-L481 HydrophobicContact CH2-CD2 4.31Å; W454-L481 HydrophobicContact CZ3-CD2 3.74Å; Q477-L481 WeakPolarHBondContact O-CB 3.38Å; Q477-L481 PolarHBondContact O-N 2.94Å; Y478-L481 PolarHBondContact O-N 2.75Å; L481-M484 HydrophobicContact CD2-CE 4.03Å; L481-M484 HydrophobicContact CG-CE 4.45Å; L481-M484 PolarHBondContact O-N 3.28Å; L481-R485 WeakPolarHBondContact O-CB 3.47Å; L481-R485 PolarHBondContact O-N 3.32Å
482Q69.1Low69Low77 Ų77103 Ų10336%0.3652%0.515SS..Hα-helixtrans-69.5-39.8178.8-171.3154.8-11.400112.2Y478 K479 T480 R485 E486Y478-Q482 WeakPolarHBondContact O-CB 3.31Å; Y478-Q482 PolarHBondContact O-N 2.92Å; Y478-Q482 PolarHBondContact OH-OE1 3.41Å; K479-Q482 PolarHBondContact O-N 2.78Å; T480-Q482 VanDerWaalsContact C-N 3.32Å; T480-Q482 PolarHBondContact O-N 3.15Å; Q482-R485 WeakPolarHBondContact O-CB 3.33Å; Q482-R485 PolarHBondContact O-N 3.12Å; Q482-E486 PolarHBondContact O-N 2.84Å
483S75.6Confident70Confident79 Ų79101.2 Ų101.255%0.55250%0.502SS*.Hα-helixtrans-63.1-43.8172.8-171.80000112.2K479 T480 R485 E486 A487K479-S483 PolarHBondContact O-N 2.92Å; T480-S483 PolarHBondContact O-N 3.07Å; S483-R485 VanDerWaalsContact C-N 3.31Å; S483-R485 PolarHBondContact O-N 3.31Å; S483-E486 PolarHBondContact O-N 3.18Å; S483-A487 PolarHBondContact O-N 3.41Å
484M74.3Confident71.1Confident80 Ų80102.9 Ų102.939%0.39450%0.501SS..Hα-helixtrans-62.8-36.7173.6-69.1-161.9-53.100112.6W454 T480 L481 A487 R488W454-M484 HydrophobicContact CH2-CE 3.83Å; W454-M484 HydrophobicContact CZ2-CE 3.96Å; T480-M484 WeakPolarHBondContact O-CG 3.37Å; T480-M484 PolarHBondContact O-N 3.4Å; L481-M484 HydrophobicContact CD2-CE 4.03Å; L481-M484 HydrophobicContact CG-CE 4.45Å; L481-M484 PolarHBondContact O-N 3.28Å; M484-A487 PolarHBondContact O-N 3.43Å; M484-R488 PolarHBondContact O-N 2.93Å
485R72.1Confident72.1Confident158 Ų158105.1 Ų105.160%0.59651%0.511SS*.Hα-helixtrans-63.7-43.7176.1-178.5178.4178.6-87.3-1111.4L481 Q482 S483 R488 I489L481-R485 WeakPolarHBondContact O-CB 3.47Å; L481-R485 PolarHBondContact O-N 3.32Å; Q482-R485 WeakPolarHBondContact O-CB 3.33Å; Q482-R485 PolarHBondContact O-N 3.12Å; S483-R485 VanDerWaalsContact C-N 3.31Å; S483-R485 PolarHBondContact O-N 3.31Å; R485-R488 PolarHBondContact O-N 3.2Å; R485-I489 HydrophobicContact CG-CD1 4.1Å; R485-I489 VanDerWaalsContact O-CG1 3.27Å; R485-I489 WeakPolarHBondContact O-CG1 3.24Å; R485-I489 PolarHBondContact O-N 3.43Å
486E77.4Confident73.3Confident108 Ų108106.9 Ų106.951%0.50551%0.51SS..Hα-helixtrans-66.1-38.6176.5-72.9172.9-168.300112.3Q482 S483 I489 K490Q482-E486 PolarHBondContact O-N 2.84Å; S483-E486 PolarHBondContact O-N 3.18Å; E486-I489 PolarHBondContact O-N 3.01Å; E486-K490 PolarHBondContact O-N 3.17Å
487A79Confident74.2Confident56 Ų56104.7 Ų104.746%0.46350%0.503SS..Hα-helixtrans-61.4-50.2172.700000111.8S483 M484 I489 K490 T491S483-A487 PolarHBondContact O-N 3.41Å; M484-A487 PolarHBondContact O-N 3.43Å; A487-I489 VanDerWaalsContact C-N 3.32Å; A487-I489 PolarHBondContact O-N 3.27Å; A487-K490 PolarHBondContact O-N 3.33Å; A487-T491 PolarHBondContact O-N 3.15Å; A487-T491 VanDerWaalsContact O-N 3.14Å; A487-T491 PolarHBondContact O-OG1 2.78Å
488R74.4Confident75.3Confident99 Ų99105.5 Ų105.537%0.37451%0.505SS..Hα-helixtrans-61.3-35.4177.2-82.5-178.3166.7165.1-4.9112.8E450 W454 M484 R485 T491 I492E450-R488 IonicContact OE2-CZ 3.84Å; E450-R488 IonicContact OE2-NH2 2.72Å; E450-R488 PolarHBondContact OE2-NH2 3.38Å; W454-R488 VanDerWaalsContact CD1-NH1 3.3Å; M484-R488 PolarHBondContact O-N 2.93Å; R485-R488 PolarHBondContact O-N 3.2Å; R488-T491 PolarHBondContact O-N 3.27Å; R488-I492 VanDerWaalsContact O-CG1 3.29Å; R488-I492 WeakPolarHBondContact O-CG1 3.49Å; R488-I492 PolarHBondContact O-N 3.41Å
489I78.7Confident75.9Confident66 Ų66104.7 Ų104.734%0.33851%0.509SS..Hα-helixtrans-61-46.5174.8-73.3164.9000110.9R485 E486 A487 T491 I492 E493R485-I489 HydrophobicContact CG-CD1 4.1Å; R485-I489 VanDerWaalsContact O-CG1 3.27Å; R485-I489 WeakPolarHBondContact O-CG1 3.24Å; R485-I489 PolarHBondContact O-N 3.43Å; E486-I489 PolarHBondContact O-N 3.01Å; A487-I489 VanDerWaalsContact C-N 3.32Å; A487-I489 PolarHBondContact O-N 3.27Å; I489-T491 VanDerWaalsContact C-N 3.33Å; I489-T491 PolarHBondContact O-N 3.39Å; I489-I492 PolarHBondContact O-N 2.91Å; I489-I492 VanDerWaalsContact O-N 3.16Å; I489-E493 PolarHBondContact O-N 2.86Å
490K81.8Confident76.2Confident142 Ų142102.3 Ų102.362%0.61750%0.503SS*.Hα-helixtrans-60.7-39.7176.2-72.3179.9177.3176.40112.4E486 A487 E493 Q494E486-K490 PolarHBondContact O-N 3.17Å; A487-K490 PolarHBondContact O-N 3.33Å; K490-E493 PolarHBondContact O-N 2.65Å; K490-Q494 WeakPolarHBondContact O-CG 3.38Å; K490-Q494 PolarHBondContact O-N 2.93Å
491T75.7Confident76.7Confident71 Ų71103.8 Ų103.844%0.43650%0.504SS..Hα-helixtrans-64.6-40.3175.3-47.10000111.9A487 R488 I489 Q494 L495A487-T491 PolarHBondContact O-N 3.15Å; A487-T491 VanDerWaalsContact O-N 3.14Å; A487-T491 PolarHBondContact O-OG1 2.78Å; R488-T491 PolarHBondContact O-N 3.27Å; I489-T491 VanDerWaalsContact C-N 3.33Å; I489-T491 PolarHBondContact O-N 3.39Å; T491-Q494 PolarHBondContact O-N 3.49Å; T491-L495 HydrophobicContact CG2-CD1 4.44Å; T491-L495 WeakPolarHBondContact O-CG 3.42Å; T491-L495 PolarHBondContact O-N 3.11Å
492I73.6Confident77.1Confident84 Ų84106.1 Ų106.143%0.43152%0.517SS..Hα-helixtrans-64.9-38.8176.1-69.4164.3000111.3R488 I489 L495 R496R488-I492 VanDerWaalsContact O-CG1 3.29Å; R488-I492 WeakPolarHBondContact O-CG1 3.49Å; R488-I492 PolarHBondContact O-N 3.41Å; I489-I492 PolarHBondContact O-N 2.91Å; I489-I492 VanDerWaalsContact O-N 3.16Å; I492-L495 PolarHBondContact O-N 3.22Å; I492-R496 WeakPolarHBondContact O-CG 3.31Å; I492-R496 PolarHBondContact O-N 3.14Å
493E79.2Confident77.5Confident105 Ų105106.7 Ų106.749%0.49152%0.522SS..Hα-helixtrans-64.9-41.4174.1-72178157.400112.2I489 K490 L495 R496 N497I489-E493 PolarHBondContact O-N 2.86Å; K490-E493 PolarHBondContact O-N 2.65Å; E493-L495 PolarHBondContact O-N 3.44Å; E493-R496 PolarHBondContact O-N 2.99Å; E493-N497 PolarHBondContact O-N 3.14Å
494Q78.8Confident77.7Confident133 Ų133108.9 Ų108.962%0.62152%0.523SS*.Hα-helixtrans-61.6-41.9173.7-72.7174.6-13.600112.5K490 T491 N497 K498K490-Q494 WeakPolarHBondContact O-CG 3.38Å; K490-Q494 PolarHBondContact O-N 2.93Å; T491-Q494 PolarHBondContact O-N 3.49Å; Q494-N497 PolarHBondContact O-N 3.43Å; Q494-K498 PolarHBondContact O-N 3.39Å; Q494-K498 VanDerWaalsContact O-N 3.11Å
495L76.1Confident77.9Confident110 Ų110109.5 Ų109.558%0.57653%0.529SS*.Hα-helixtrans-67.3-38.1176.3-71.3170.8000112.3T491 I492 E493 K498 L499T491-L495 HydrophobicContact CG2-CD1 4.44Å; T491-L495 WeakPolarHBondContact O-CG 3.42Å; T491-L495 PolarHBondContact O-N 3.11Å; I492-L495 PolarHBondContact O-N 3.22Å; E493-L495 PolarHBondContact O-N 3.44Å; L495-K498 PolarHBondContact O-N 3.02Å; L495-L499 WeakPolarHBondContact O-CB 3.3Å; L495-L499 PolarHBondContact O-N 3.48Å
496R80.3Confident77.8Confident167 Ų167107.8 Ų107.863%0.6353%0.529SS*.Hα-helixtrans-62.2-41.4173.4-77.8174173.8-179.4-2.6112.4I492 E493 L499 N500I492-R496 WeakPolarHBondContact O-CG 3.31Å; I492-R496 PolarHBondContact O-N 3.14Å; E493-R496 PolarHBondContact O-N 2.99Å; R496-L499 PolarHBondContact O-N 3.49Å; R496-N500 PolarHBondContact O-N 3.24Å
497N83Confident77.8Confident107 Ų107105.9 Ų105.957%0.57253%0.525SS*.Hα-helixtrans-64.9-43.8177.1-70.5-12.7000111.6E493 Q494 L499 N500 E501E493-N497 PolarHBondContact O-N 3.14Å; Q494-N497 PolarHBondContact O-N 3.43Å; N497-L499 VanDerWaalsContact C-N 3.31Å; N497-L499 PolarHBondContact O-N 3.25Å; N497-N500 PolarHBondContact O-N 2.88Å; N497-E501 PolarHBondContact O-N 3.04Å
498K79.3Confident77.8Confident139 Ų139109.5 Ų109.560%0.60453%0.532SS*.Hα-helixtrans-61.3-37.1172.5-89.1-176.2170.5-1780113.2Q494 L495 E501 L502Q494-K498 PolarHBondContact O-N 3.39Å; Q494-K498 VanDerWaalsContact O-N 3.11Å; L495-K498 PolarHBondContact O-N 3.02Å; K498-E501 PolarHBondContact O-N 3.07Å; K498-L502 PolarHBondContact O-N 3.18Å
499L76Confident77.8Confident119 Ų119111.1 Ų111.162%0.62354%0.544SS*.Hα-helixtrans-65.8-40.9176.4-169.565.8000111.3L495 R496 N497 L502 D503L495-L499 WeakPolarHBondContact O-CB 3.3Å; L495-L499 PolarHBondContact O-N 3.48Å; R496-L499 PolarHBondContact O-N 3.49Å; N497-L499 VanDerWaalsContact C-N 3.31Å; N497-L499 PolarHBondContact O-N 3.25Å; L499-L502 PolarHBondContact O-N 3.42Å; L499-D503 WeakPolarHBondContact O-CB 3.25Å; L499-D503 PolarHBondContact O-N 3.13Å
500N79.6Confident77.6Confident99 Ų99109.8 Ų109.853%0.52955%0.546SS..Hα-helixtrans-63-40.5172.8-94.51.8000112.8R496 N497 L502 D503 Q504R496-N500 PolarHBondContact O-N 3.24Å; N497-N500 PolarHBondContact O-N 2.88Å; N500-L502 VanDerWaalsContact C-N 3.35Å; N500-D503 PolarHBondContact O-N 3.07Å; N500-Q504 WeakPolarHBondContact O-CB 2.99Å; N500-Q504 WeakPolarHBondContact O-CG 3.23Å; N500-Q504 PolarHBondContact O-N 3.18Å
501E80.8Confident77.5Confident120 Ų120109.2 Ų109.256%0.56155%0.545SS*.Hα-helixtrans-63.4-40.1174-76-175.2138.400112.1N497 K498 N505N497-E501 PolarHBondContact O-N 3.04Å; K498-E501 PolarHBondContact O-N 3.07Å; E501-N505 WeakPolarHBondContact O-CB 3.05Å; E501-N505 PolarHBondContact O-N 2.84Å; E501-N505 PolarHBondContact O-ND2 2.85Å
502L74.9Confident77.5Confident110 Ų110111 Ų11158%0.57655%0.549SS*.Hα-helixtrans-64.7-43.2175.4-103.4145000112K498 L499 N500 N505 M506K498-L502 PolarHBondContact O-N 3.18Å; L499-L502 PolarHBondContact O-N 3.42Å; N500-L502 VanDerWaalsContact C-N 3.35Å; L502-N505 PolarHBondContact O-N 3.26Å; L502-M506 WeakPolarHBondContact O-CB 3.3Å; L502-M506 PolarHBondContact O-N 3.34Å
503D76.8Confident77.4Confident89 Ų89112.3 Ų112.348%0.47656%0.556SS.*Hα-helixtrans-66.5-39.4178.3-165.857000112.3L499 N500 M506 T507L499-D503 WeakPolarHBondContact O-CB 3.25Å; L499-D503 PolarHBondContact O-N 3.13Å; N500-D503 PolarHBondContact O-N 3.07Å; D503-M506 PolarHBondContact O-N 3.47Å; D503-T507 WeakPolarHBondContact O-CB 3.5Å; D503-T507 PolarHBondContact O-N 2.72Å; D503-T507 PolarHBondContact O-OG1 3.27Å
504Q79Confident77.2Confident124 Ų124109.8 Ų109.858%0.57955%0.553SS**Hα-helixtrans-63.4-44.2172.3-74.3-179.214.800112.2N500 T507 Q508N500-Q504 WeakPolarHBondContact O-CB 2.99Å; N500-Q504 WeakPolarHBondContact O-CG 3.23Å; N500-Q504 PolarHBondContact O-N 3.18Å; Q504-T507 PolarHBondContact O-N 3Å; Q504-Q508 WeakPolarHBondContact O-CG 3.32Å; Q504-Q508 PolarHBondContact O-N 3.32Å
505N79.6Confident77.3Confident94 Ų94107.1 Ų107.150%0.50355%0.546SS..Hα-helixtrans-64.1-40.6175.7-81.2-59.7000112.1E501 L502 T507 Q508 Q509E501-N505 WeakPolarHBondContact O-CB 3.05Å; E501-N505 PolarHBondContact O-N 2.84Å; E501-N505 PolarHBondContact O-ND2 2.85Å; L502-N505 PolarHBondContact O-N 3.26Å; N505-T507 VanDerWaalsContact C-N 3.34Å; N505-Q508 PolarHBondContact O-N 3Å; N505-Q509 PolarHBondContact O-N 2.79Å
506M70.8Confident77.2Confident121 Ų121108.7 Ų108.760%0.59654%0.544SS*.Hα-helixtrans-64.7-40.1176.5-153.9-173.5-31.900111.2L502 D503 Q509 G510L502-M506 WeakPolarHBondContact O-CB 3.3Å; L502-M506 PolarHBondContact O-N 3.34Å; D503-M506 PolarHBondContact O-N 3.47Å; M506-Q509 PolarHBondContact O-N 3.18Å; M506-G510 PolarHBondContact O-N 3.08Å
507T77.5Confident77.1Confident69 Ų69108.1 Ų108.142%0.42354%0.542SS..Hα-helixtrans-63.3-41.9174.4-60.90000111.8D503 Q504 N505 G510 H511D503-T507 WeakPolarHBondContact O-CB 3.5Å; D503-T507 PolarHBondContact O-N 2.72Å; D503-T507 PolarHBondContact O-OG1 3.27Å; Q504-T507 PolarHBondContact O-N 3Å; N505-T507 VanDerWaalsContact C-N 3.34Å; T507-G510 PolarHBondContact O-N 3.1Å; T507-H511 PolarHBondContact O-N 3.44Å; T507-H511 PolarHBondContact O-ND1 3.43Å
508Q77.8Confident76.9Confident131 Ų131107.9 Ų107.961%0.61254%0.541SS*.Hα-helixtrans-64-44.3174.3-75.1-173.89.600112.4Q504 N505 G510 H511 E512Q504-Q508 WeakPolarHBondContact O-CG 3.32Å; Q504-Q508 PolarHBondContact O-N 3.32Å; N505-Q508 PolarHBondContact O-N 3Å; Q508-G510 VanDerWaalsContact C-N 3.3Å; Q508-G510 PolarHBondContact O-N 3.27Å; Q508-H511 PolarHBondContact O-N 2.89Å; Q508-H511 VanDerWaalsContact O-N 3.12Å; Q508-E512 PolarHBondContact O-N 2.72Å
509Q74.4Confident76.9Confident133 Ų133108 Ų10862%0.62154%0.541SS*.Hα-helixtrans-62-37.9174.1-72.6-169.5-1.700112N505 M506 H511 E512 L513N505-Q509 PolarHBondContact O-N 2.79Å; M506-Q509 PolarHBondContact O-N 3.18Å; Q509-H511 VanDerWaalsContact C-N 3.33Å; Q509-H511 PolarHBondContact O-N 3.27Å; Q509-E512 PolarHBondContact O-N 3.49Å; Q509-L513 WeakPolarHBondContact O-CB 3.2Å; Q509-L513 VanDerWaalsContact O-CG 3.29Å; Q509-L513 WeakPolarHBondContact O-CG 3.06Å; Q509-L513 PolarHBondContact O-N 3.17Å
510G74Confident76.9Confident38 Ų38106.8 Ų106.839%0.39254%0.535SS..Hα-helixtrans-57.9-42.4171.200000113M506 T507 Q508 L513 A514M506-G510 PolarHBondContact O-N 3.08Å; T507-G510 PolarHBondContact O-N 3.1Å; Q508-G510 VanDerWaalsContact C-N 3.3Å; Q508-G510 PolarHBondContact O-N 3.27Å; G510-L513 PolarHBondContact O-N 2.81Å; G510-A514 WeakPolarHBondContact O-CB 3.07Å; G510-A514 PolarHBondContact O-N 3.43Å
511H79.8Confident76.7Confident130 Ų130104.8 Ų104.860%0.60252%0.524SS*.Hα-helixtrans-68.8-38.9176.3-76.765.3000112.8T507 Q508 Q509 A514 T515T507-H511 PolarHBondContact O-N 3.44Å; T507-H511 PolarHBondContact O-ND1 3.43Å; Q508-H511 PolarHBondContact O-N 2.89Å; Q508-H511 VanDerWaalsContact O-N 3.12Å; Q509-H511 VanDerWaalsContact C-N 3.33Å; Q509-H511 PolarHBondContact O-N 3.27Å; H511-A514 PolarHBondContact O-N 2.96Å; H511-T515 WeakPolarHBondContact O-CB 3.49Å; H511-T515 PolarHBondContact O-N 3.45Å; H511-T515 PolarHBondContact O-OG1 2.92Å
512E76.2Confident76.6Confident110 Ų110104.2 Ų104.251%0.51453%0.525SS..Hα-helixtrans-61.9-44.8171.5-79.9-146.6151.300111.8Q508 Q509 T515 R516Q508-E512 PolarHBondContact O-N 2.72Å; Q509-E512 PolarHBondContact O-N 3.49Å; E512-T515 PolarHBondContact O-N 2.85Å; E512-R516 WeakPolarHBondContact O-CG 3.17Å; E512-R516 PolarHBondContact O-N 2.79Å; E512-R516 IonicContact OE2-CZ 3.56Å; E512-R516 IonicContact OE2-NH2 2.69Å; E512-R516 PolarHBondContact OE2-NH2 2.87Å
513L71.5Confident76.5Confident111 Ų111102.3 Ų102.358%0.58152%0.521SS*.Hα-helixtrans-64.3-41.2179-71.6172.6000111.5Q509 G510 T515 R516 R517Q509-L513 WeakPolarHBondContact O-CB 3.2Å; Q509-L513 VanDerWaalsContact O-CG 3.29Å; Q509-L513 WeakPolarHBondContact O-CG 3.06Å; Q509-L513 PolarHBondContact O-N 3.17Å; G510-L513 PolarHBondContact O-N 2.81Å; L513-T515 VanDerWaalsContact C-N 3.35Å; L513-R516 PolarHBondContact O-N 2.69Å; L513-R517 WeakPolarHBondContact O-CB 3.35Å; L513-R517 PolarHBondContact O-N 3.4Å
514A76.1Confident76.5Confident51 Ų51102.4 Ų102.442%0.42152%0.519SS..Hα-helixtrans-62.1-40.717200000112G510 H511 R517 N518G510-A514 WeakPolarHBondContact O-CB 3.07Å; G510-A514 PolarHBondContact O-N 3.43Å; H511-A514 PolarHBondContact O-N 2.96Å; A514-R517 WeakPolarHBondContact O-CB 3.35Å; A514-R517 PolarHBondContact O-N 2.92Å; A514-N518 VanDerWaalsContact O-CG 3.3Å; A514-N518 PolarHBondContact O-N 3.03Å; A514-N518 PolarHBondContact O-OD1 2.82Å
515T79.5Confident76.4Confident78 Ų78100.2 Ų100.248%0.47951%0.511SS..Hα-helixtrans-66.6-39.1177-54.30000112H511 E512 L513 K519H511-T515 WeakPolarHBondContact O-CB 3.49Å; H511-T515 PolarHBondContact O-N 3.45Å; H511-T515 PolarHBondContact O-OG1 2.92Å; E512-T515 PolarHBondContact O-N 2.85Å; L513-T515 VanDerWaalsContact C-N 3.35Å; T515-K519 PolarHBondContact O-N 3.04Å
516R75.4Confident76.4Confident142 Ų142104.7 Ų104.754%0.53652%0.52SS..Hα-helixtrans-67.1-37.5172.8-68.7177.2-161.7-172.79111.3E512 L513 K519 I520E512-R516 WeakPolarHBondContact O-CG 3.17Å; E512-R516 PolarHBondContact O-N 2.79Å; E512-R516 IonicContact OE2-CZ 3.56Å; E512-R516 IonicContact OE2-NH2 2.69Å; E512-R516 PolarHBondContact OE2-NH2 2.87Å; L513-R516 PolarHBondContact O-N 2.69Å; R516-K519 PolarHBondContact O-N 3.44Å; R516-I520 WeakPolarHBondContact O-CG1 3.37Å; R516-I520 PolarHBondContact O-N 2.89Å; R516-I520 VanDerWaalsContact O-N 3.09Å
517R78.2Confident76.7Confident156 Ų156102.9 Ų102.959%0.58952%0.516SS*.Hα-helixtrans-60.6-51175.1-175.368.6-161.6-144.73.6111.2L513 A514 K519 I520 D521L513-R517 WeakPolarHBondContact O-CB 3.35Å; L513-R517 PolarHBondContact O-N 3.4Å; A514-R517 WeakPolarHBondContact O-CB 3.35Å; A514-R517 PolarHBondContact O-N 2.92Å; R517-K519 VanDerWaalsContact C-N 3.3Å; R517-K519 PolarHBondContact O-N 3.29Å; R517-I520 WeakPolarHBondContact O-CB 3.21Å; R517-I520 PolarHBondContact O-N 2.99Å; R517-D521 WeakPolarHBondContact CG-OD2 3.35Å; R517-D521 IonicContact CZ-OD1 3.38Å; R517-D521 IonicContact NE-OD1 2.7Å; R517-D521 PolarHBondContact NE-OD1 3.31Å; R517-D521 IonicContact NE-OD2 3.56Å; R517-D521 PolarHBondContact NE-OD2 3.26Å; R517-D521 VanDerWaalsContact NE-OD2 3.08Å; R517-D521 IonicContact NH2-OD1 2.69Å; R517-D521 IonicContact NH2-OD2 2.67Å; R517-D521 PolarHBondContact O-N 2.74Å
518N78.3Confident76.8Confident102 Ų102102.8 Ų102.855%0.54552%0.515SS..Hα-helixtrans-58.4-39.6177.6-67-4.8000112.4A514 I520 D521 D522A514-N518 VanDerWaalsContact O-CG 3.3Å; A514-N518 PolarHBondContact O-N 3.03Å; A514-N518 PolarHBondContact O-OD1 2.82Å; N518-I520 VanDerWaalsContact C-N 3.34Å; N518-I520 PolarHBondContact O-N 2.77Å; N518-D521 PolarHBondContact O-N 3.01Å; N518-D522 WeakPolarHBondContact O-CB 3.35Å; N518-D522 PolarHBondContact O-N 3.18Å
519K79.1Confident77Confident140 Ų140103 Ų10361%0.60951%0.511SS*.Hα-helixtrans-65.7-33.7174.9-74.8-177.7178.6-178.60113.7T515 R516 R517 S523T515-K519 PolarHBondContact O-N 3.04Å; R516-K519 PolarHBondContact O-N 3.44Å; R517-K519 VanDerWaalsContact C-N 3.3Å; R517-K519 PolarHBondContact O-N 3.29Å; K519-S523 WeakPolarHBondContact O-CB 3.35Å; K519-S523 PolarHBondContact O-N 2.65Å; K519-S523 VanDerWaalsContact O-N 3.17Å; K519-S523 PolarHBondContact O-OG 2.8Å
520I76Confident77.2Confident94 Ų94100.5 Ų100.548%0.48250%0.504SS..Hα-helixtrans-70.7-45.8174.9-70.2165.9000109.4R516 R517 N518 S523 Q524R516-I520 WeakPolarHBondContact O-CG1 3.37Å; R516-I520 PolarHBondContact O-N 2.89Å; R516-I520 VanDerWaalsContact O-N 3.09Å; R517-I520 WeakPolarHBondContact O-CB 3.21Å; R517-I520 PolarHBondContact O-N 2.99Å; N518-I520 VanDerWaalsContact C-N 3.34Å; N518-I520 PolarHBondContact O-N 2.77Å; I520-S523 WeakPolarHBondContact O-CB 3.15Å; I520-S523 PolarHBondContact O-N 3.4Å; I520-Q524 WeakPolarHBondContact O-CB 3.36Å; I520-Q524 PolarHBondContact O-N 2.78Å
521D74.9Confident77.2Confident58 Ų58101.2 Ų101.231%0.3150%0.498SS..Hα-helixtrans-64.5-43.3179.5-65.3-30.7000110.5R517 N518 S523 Q524 D525R517-D521 WeakPolarHBondContact CG-OD2 3.35Å; R517-D521 IonicContact CZ-OD1 3.38Å; R517-D521 IonicContact NE-OD1 2.7Å; R517-D521 PolarHBondContact NE-OD1 3.31Å; R517-D521 IonicContact NE-OD2 3.56Å; R517-D521 PolarHBondContact NE-OD2 3.26Å; R517-D521 VanDerWaalsContact NE-OD2 3.08Å; R517-D521 IonicContact NH2-OD1 2.69Å; R517-D521 IonicContact NH2-OD2 2.67Å; R517-D521 PolarHBondContact O-N 2.74Å; N518-D521 PolarHBondContact O-N 3.01Å; D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 3.48Å; D521-Q524 PolarHBondContact O-N 3.38Å; D521-Q524 VanDerWaalsContact O-N 3.11Å; D521-D525 WeakPolarHBondContact O-CB 3.48Å; D521-D525 PolarHBondContact O-N 3.07Å
522D78.4Confident77.3Confident107 Ų107100 Ų10057%0.57250%0.496SS*.Hα-helixtrans-54.7-41.6170-90.2-19.4000113.2N518 D525 R526N518-D522 WeakPolarHBondContact O-CB 3.35Å; N518-D522 PolarHBondContact O-N 3.18Å; D522-D525 WeakPolarHBondContact O-CB 3.38Å; D522-R526 WeakPolarHBondContact O-CG 3.42Å; D522-R526 PolarHBondContact O-N 3.06Å
523S74Confident77.5Confident71 Ų7199.8 Ų99.850%0.49750%0.498SS..Hα-helixtrans-69.7-38.1179-60.70000111K519 I520 D521 R526 V527K519-S523 WeakPolarHBondContact O-CB 3.35Å; K519-S523 PolarHBondContact O-N 2.65Å; K519-S523 VanDerWaalsContact O-N 3.17Å; K519-S523 PolarHBondContact O-OG 2.8Å; I520-S523 WeakPolarHBondContact O-CB 3.15Å; I520-S523 PolarHBondContact O-N 3.4Å; D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 3.48Å; S523-R526 PolarHBondContact O-N 3.37Å; S523-V527 WeakPolarHBondContact O-CG2 3.27Å; S523-V527 PolarHBondContact O-N 3.01Å; S523-V527 VanDerWaalsContact O-N 3.08Å
524Q75.6Confident77.6Confident91 Ų9199.6 Ų99.643%0.42550%0.497SS..Hα-helixtrans-70-38.7177.3-153.4158.4-67.500110.7I520 D521 R526 V527 T528I520-Q524 WeakPolarHBondContact O-CB 3.36Å; I520-Q524 PolarHBondContact O-N 2.78Å; D521-Q524 PolarHBondContact O-N 3.38Å; D521-Q524 VanDerWaalsContact O-N 3.11Å; Q524-R526 PolarHBondContact O-N 3.3Å; Q524-V527 PolarHBondContact O-N 3.42Å; Q524-T528 WeakPolarHBondContact O-CB 3.29Å; Q524-T528 PolarHBondContact O-N 2.88Å; Q524-T528 PolarHBondContact O-OG1 3.26Å
525D78.2Confident77.8Confident77 Ų77101.2 Ų101.241%0.41250%0.501SS..Hα-helixtrans-60.5-40.9171.7-121.240.3000112.8D521 D522 T528 R529D521-D525 WeakPolarHBondContact O-CB 3.48Å; D521-D525 PolarHBondContact O-N 3.07Å; D522-D525 WeakPolarHBondContact O-CB 3.38Å; D525-T528 PolarHBondContact O-N 2.94Å; D525-R529 WeakPolarHBondContact O-CG 3.32Å; D525-R529 PolarHBondContact O-N 2.91Å; D525-R529 PolarHBondContact O-NH1 2.95Å; D525-R529 IonicContact OD2-CZ 3.77Å; D525-R529 IonicContact OD2-NH1 3.59Å; D525-R529 PolarHBondContact OD2-NH1 3.42Å; D525-R529 IonicContact OD2-NH2 3.79Å; D525-R529 PolarHBondContact OD2-NH2 3.23Å
526R79.2Confident77.8Confident188 Ų188102.8 Ų102.871%0.70951%0.507SS*.Hα-helixtrans-63.1-47.4172.8-81.9175.5165.4-104.2-1.3111.5D522 S523 Q524 T528 R529 T530D522-R526 WeakPolarHBondContact O-CG 3.42Å; D522-R526 PolarHBondContact O-N 3.06Å; S523-R526 PolarHBondContact O-N 3.37Å; Q524-R526 PolarHBondContact O-N 3.3Å; R526-T528 VanDerWaalsContact C-N 3.32Å; R526-T528 PolarHBondContact O-N 2.9Å; R526-R529 PolarHBondContact O-N 3.03Å; R526-T530 PolarHBondContact O-N 3.42Å; R526-T530 PolarHBondContact O-OG1 3.23Å
527V76.9Confident78.1Confident84 Ų84101.2 Ų101.251%0.50951%0.509SS..Hα-helixtrans-61-41.7176.1171.50000111S523 Q524 T530 M531S523-V527 WeakPolarHBondContact O-CG2 3.27Å; S523-V527 PolarHBondContact O-N 3.01Å; S523-V527 VanDerWaalsContact O-N 3.08Å; Q524-V527 PolarHBondContact O-N 3.42Å; V527-T530 PolarHBondContact O-N 3.47Å; V527-M531 HydrophobicContact CG1-CE 4.27Å; V527-M531 VanDerWaalsContact O-CB 3.26Å; V527-M531 WeakPolarHBondContact O-CB 3.47Å; V527-M531 PolarHBondContact O-N 2.87Å
528T80.1Confident78Confident66 Ų66100.8 Ų100.841%0.40551%0.507SS..Hα-helixtrans-64.5-42177.5-61.10000112.3Q524 D525 R526 M531 L532Q524-T528 WeakPolarHBondContact O-CB 3.29Å; Q524-T528 PolarHBondContact O-N 2.88Å; Q524-T528 PolarHBondContact O-OG1 3.26Å; D525-T528 PolarHBondContact O-N 2.94Å; R526-T528 VanDerWaalsContact C-N 3.32Å; R526-T528 PolarHBondContact O-N 2.9Å; T528-M531 PolarHBondContact O-N 3.01Å; T528-L532 HydrophobicContact CG2-CD1 4.37Å; T528-L532 WeakPolarHBondContact O-CG 3.43Å; T528-L532 PolarHBondContact O-N 3.14Å
529R81.7Confident78.1Confident136 Ų136100.7 Ų100.751%0.51350%0.503SS..Hα-helixtrans-60.8-50.5173-71.5-177-163.4844.4111.9D525 R526 M531 L532 D533D525-R529 WeakPolarHBondContact O-CG 3.32Å; D525-R529 PolarHBondContact O-N 2.91Å; D525-R529 PolarHBondContact O-NH1 2.95Å; D525-R529 IonicContact OD2-CZ 3.77Å; D525-R529 IonicContact OD2-NH1 3.59Å; D525-R529 PolarHBondContact OD2-NH1 3.42Å; D525-R529 IonicContact OD2-NH2 3.79Å; D525-R529 PolarHBondContact OD2-NH2 3.23Å; R526-R529 PolarHBondContact O-N 3.03Å; R529-M531 PolarHBondContact O-N 2.89Å; R529-L532 WeakPolarHBondContact O-CB 3.22Å; R529-L532 PolarHBondContact O-N 3.4Å; R529-D533 PolarHBondContact O-N 3.18Å
530T77.7Confident78.1Confident80 Ų8096.2 Ų96.249%0.49149%0.489SS..Hα-helixtrans-61.5-32.2177.9-56.10000112.5R526 V527 L534R526-T530 PolarHBondContact O-N 3.42Å; R526-T530 PolarHBondContact O-OG1 3.23Å; V527-T530 PolarHBondContact O-N 3.47Å; T530-L534 HydrophobicContact CG2-CD1 4.38Å; T530-L534 WeakPolarHBondContact O-CB 3.32Å; T530-L534 VanDerWaalsContact O-CG 3.26Å; T530-L534 WeakPolarHBondContact O-CG 3.16Å; T530-L534 PolarHBondContact O-N 2.59Å
531M75.3Confident78.1Confident54 Ų5495.6 Ų95.627%0.26649%0.49SS..Hα-helixtrans-69.2-39.2174.7-167.5-168.2-6200112W4 V527 T528 R529 L534 V535W4-M531 HydrophobicContact CD2-CE 3.87Å; W4-M531 HydrophobicContact CE3-CE 4.33Å; W4-M531 HydrophobicContact CG-CE 4.44Å; W4-M531 HydrophobicContact CH2-CE 4.02Å; W4-M531 HydrophobicContact CH2-CG 3.99Å; W4-M531 HydrophobicContact CH2-SD 3.75Å; W4-M531 HydrophobicContact CZ2-CE 3.52Å; W4-M531 HydrophobicContact CZ2-CG 4.12Å; W4-M531 HydrophobicContact CZ2-SD 3.25Å; W4-M531 WeakPolarHBondContact CZ2-SD 3.11Å; W4-M531 HydrophobicContact CZ3-CE 4.37Å; V527-M531 HydrophobicContact CG1-CE 4.27Å; V527-M531 VanDerWaalsContact O-CB 3.26Å; V527-M531 WeakPolarHBondContact O-CB 3.47Å; V527-M531 PolarHBondContact O-N 2.87Å; T528-M531 PolarHBondContact O-N 3.01Å; R529-M531 PolarHBondContact O-N 2.89Å; M531-L534 PolarHBondContact O-N 3.06Å; M531-V535 WeakPolarHBondContact O-CG2 3.25Å; M531-V535 PolarHBondContact O-N 3.32Å
532L80.2Confident78Confident105 Ų10595.4 Ų95.455%0.5549%0.487SS..Hα-helixtrans-64.6-46.6172.2-70.3166.5000111.3T528 R529 L534 V535 D536T528-L532 HydrophobicContact CG2-CD1 4.37Å; T528-L532 WeakPolarHBondContact O-CG 3.43Å; T528-L532 PolarHBondContact O-N 3.14Å; R529-L532 WeakPolarHBondContact O-CB 3.22Å; R529-L532 PolarHBondContact O-N 3.4Å; L532-L534 PolarHBondContact O-N 2.96Å; L532-V535 WeakPolarHBondContact O-CA 3.47Å; L532-V535 WeakPolarHBondContact O-CB 3.2Å; L532-V535 PolarHBondContact O-N 3.19Å; L532-D536 PolarHBondContact O-N 3.37Å
533D80.1Confident77.8Confident105 Ų10595.6 Ų95.656%0.56148%0.484SS*.Hα-helixtrans-56.3-39.3175.8-63.2-35000111.8R529 L537R529-D533 PolarHBondContact O-N 3.18Å; D533-L537 VanDerWaalsContact O-CB 3.29Å; D533-L537 WeakPolarHBondContact O-CB 3.48Å; D533-L537 PolarHBondContact O-N 3.19Å
534L75.2Confident78Confident107 Ų10798.8 Ų98.856%0.5649%0.49SS*.Hα-helixtrans-70.6-33.5175.9-75.3170.6000113.1T530 M531 L532 R538T530-L534 HydrophobicContact CG2-CD1 4.38Å; T530-L534 WeakPolarHBondContact O-CB 3.32Å; T530-L534 VanDerWaalsContact O-CG 3.26Å; T530-L534 WeakPolarHBondContact O-CG 3.16Å; T530-L534 PolarHBondContact O-N 2.59Å; M531-L534 PolarHBondContact O-N 3.06Å; L532-L534 PolarHBondContact O-N 2.96Å; L534-R538 VanDerWaalsContact O-CB 3.23Å; L534-R538 WeakPolarHBondContact O-CB 3.43Å; L534-R538 PolarHBondContact O-N 3.36Å
535V79.8Confident77.7Confident84 Ų8499.2 Ų99.251%0.50949%0.493SS..Hα-helixtrans-68.7-44.6173.7168.40000110.6M531 L532 R538 H539M531-V535 WeakPolarHBondContact O-CG2 3.25Å; M531-V535 PolarHBondContact O-N 3.32Å; L532-V535 WeakPolarHBondContact O-CA 3.47Å; L532-V535 WeakPolarHBondContact O-CB 3.2Å; L532-V535 PolarHBondContact O-N 3.19Å; V535-R538 WeakPolarHBondContact O-CB 3.23Å; V535-R538 PolarHBondContact O-N 3.02Å; V535-H539 WeakPolarHBondContact O-CB 3.24Å; V535-H539 PolarHBondContact O-N 3.02Å
536D80Confident77.2Confident112 Ų112101.2 Ų101.260%0.59950%0.5SS*.Hα-helixtrans-64.4-41.1176.1-79.3-13000111.9L532 H539 S540L532-D536 PolarHBondContact O-N 3.37Å; D536-H539 PolarHBondContact O-N 2.96Å; D536-S540 WeakPolarHBondContact O-CB 3.45Å; D536-S540 PolarHBondContact O-N 2.96Å
537L80.9Confident76.8Confident108 Ų10895 Ų9557%0.56549%0.488SS*.Hα-helixtrans-63.3-43.2173.9-17563.6000111.5D533 H539 S540 V541D533-L537 VanDerWaalsContact O-CB 3.29Å; D533-L537 WeakPolarHBondContact O-CB 3.48Å; D533-L537 PolarHBondContact O-N 3.19Å; L537-H539 VanDerWaalsContact C-N 3.33Å; L537-H539 PolarHBondContact O-N 3.17Å; L537-S540 WeakPolarHBondContact O-CB 3.32Å; L537-S540 PolarHBondContact O-N 3.16Å; L537-V541 WeakPolarHBondContact O-CG2 3.06Å; L537-V541 PolarHBondContact O-N 3.07Å
538R77.3Confident75.8Confident148 Ų14899.9 Ų99.956%0.55850%0.499SS*.Hα-helixtrans-60.1-44174.6-176.9-175.1177.8-64.9-18.3110.9L534 V535 V541 E542L534-R538 VanDerWaalsContact O-CB 3.23Å; L534-R538 WeakPolarHBondContact O-CB 3.43Å; L534-R538 PolarHBondContact O-N 3.36Å; V535-R538 WeakPolarHBondContact O-CB 3.23Å; V535-R538 PolarHBondContact O-N 3.02Å; R538-V541 PolarHBondContact O-N 2.89Å; R538-E542 IonicContact CZ-OE1 3.63Å; R538-E542 IonicContact CZ-OE2 3.65Å; R538-E542 IonicContact NH1-OE1 3.65Å; R538-E542 PolarHBondContact NH1-OE1 3.47Å; R538-E542 VanDerWaalsContact NH1-OE1 3.08Å; R538-E542 IonicContact NH1-OE2 3.2Å; R538-E542 PolarHBondContact NH1-OE2 2.87Å; R538-E542 IonicContact NH2-OE1 2.64Å; R538-E542 PolarHBondContact NH2-OE1 3.47Å; R538-E542 IonicContact NH2-OE2 3.63Å; R538-E542 PolarHBondContact O-N 3.48Å
539H78.9Confident74.6Confident100 Ų100103.8 Ų103.846%0.46351%0.51SS..Hα-helixtrans-67.6-38.8178.9-162.438.9000111.8V535 D536 L537 V541 E542 Q543V535-H539 WeakPolarHBondContact O-CB 3.24Å; V535-H539 PolarHBondContact O-N 3.02Å; D536-H539 PolarHBondContact O-N 2.96Å; L537-H539 VanDerWaalsContact C-N 3.33Å; L537-H539 PolarHBondContact O-N 3.17Å; H539-V541 PolarHBondContact O-N 2.99Å; H539-E542 PolarHBondContact O-N 3.32Å; H539-Q543 PolarHBondContact CD2-NE2 3.4Å; H539-Q543 PolarHBondContact NE2-NE2 3.41Å; H539-Q543 VanDerWaalsContact NE2-NE2 3.18Å; H539-Q543 WeakPolarHBondContact O-CB 3.38Å; H539-Q543 WeakPolarHBondContact O-CG 3.07Å; H539-Q543 PolarHBondContact O-N 3.39Å
540S80Confident73.2Confident46 Ų46103.4 Ų103.432%0.32252%0.518SS..Hα-helixtrans-61-41.1172.1-169.20000112.6D536 L537 K544D536-S540 WeakPolarHBondContact O-CB 3.45Å; D536-S540 PolarHBondContact O-N 2.96Å; L537-S540 WeakPolarHBondContact O-CB 3.32Å; L537-S540 PolarHBondContact O-N 3.16Å; S540-K544 WeakPolarHBondContact O-CB 3.47Å; S540-K544 WeakPolarHBondContact O-CG 3.47Å; S540-K544 PolarHBondContact O-N 3.01Å
541V75.4Confident71.9Confident81 Ų81108.5 Ų108.549%0.49153%0.533SS..Hα-helixtrans-67.1-42.7174.6170.30000111.2L537 R538 H539 K544 M545L537-V541 WeakPolarHBondContact O-CG2 3.06Å; L537-V541 PolarHBondContact O-N 3.07Å; R538-V541 PolarHBondContact O-N 2.89Å; H539-V541 PolarHBondContact O-N 2.99Å; V541-K544 PolarHBondContact O-N 3.32Å; V541-M545 VanDerWaalsContact O-CB 3.3Å; V541-M545 WeakPolarHBondContact O-CB 3.48Å; V541-M545 PolarHBondContact O-N 3.3Å
542E73.6Confident70.4Confident54 Ų54116.9 Ų116.925%0.25256%0.561SS.*Hα-helixtrans-64.4-42.5176.1-78-177.914500112.5R538 H539 M545 Q546R538-E542 IonicContact CZ-OE1 3.63Å; R538-E542 IonicContact CZ-OE2 3.65Å; R538-E542 IonicContact NH1-OE1 3.65Å; R538-E542 PolarHBondContact NH1-OE1 3.47Å; R538-E542 VanDerWaalsContact NH1-OE1 3.08Å; R538-E542 IonicContact NH1-OE2 3.2Å; R538-E542 PolarHBondContact NH1-OE2 2.87Å; R538-E542 IonicContact NH2-OE1 2.64Å; R538-E542 PolarHBondContact NH2-OE1 3.47Å; R538-E542 IonicContact NH2-OE2 3.63Å; R538-E542 PolarHBondContact O-N 3.48Å; H539-E542 PolarHBondContact O-N 3.32Å; E542-M545 PolarHBondContact O-N 2.93Å; E542-Q546 WeakPolarHBondContact O-CB 3.07Å; E542-Q546 VanDerWaalsContact O-CG 3.31Å; E542-Q546 WeakPolarHBondContact O-CG 3.34Å; E542-Q546 PolarHBondContact O-N 2.8Å
543Q74.7Confident68.3Low110 Ų110120.8 Ų120.851%0.51457%0.574SS.*Hα-helixtrans-61.4-43.9174-72.8-17922.300111.5H539 M545 Q546 A547H539-Q543 PolarHBondContact CD2-NE2 3.4Å; H539-Q543 PolarHBondContact NE2-NE2 3.41Å; H539-Q543 VanDerWaalsContact NE2-NE2 3.18Å; H539-Q543 WeakPolarHBondContact O-CB 3.38Å; H539-Q543 WeakPolarHBondContact O-CG 3.07Å; H539-Q543 PolarHBondContact O-N 3.39Å; Q543-M545 VanDerWaalsContact C-N 3.34Å; Q543-M545 PolarHBondContact O-N 2.82Å; Q543-Q546 PolarHBondContact O-N 3.42Å; Q543-A547 WeakPolarHBondContact O-CB 3.34Å; Q543-A547 PolarHBondContact O-N 2.93Å
544K77.3Confident66Low139 Ų139121 Ų12160%0.60458%0.584SS**Hα-helixtrans-62.8-39.1173.9-75.6172.5-178.5170.30112.3S540 V541 A547 Y548S540-K544 WeakPolarHBondContact O-CB 3.47Å; S540-K544 WeakPolarHBondContact O-CG 3.47Å; S540-K544 PolarHBondContact O-N 3.01Å; V541-K544 PolarHBondContact O-N 3.32Å; K544-A547 PolarHBondContact O-N 3Å; K544-Y548 PolarHBondContact O-N 3.27Å
545M70.1Confident63.9Low100 Ų100121.6 Ų121.649%0.49359%0.592SS.*Hα-helixtrans-72.6-35.2178.8-171.6167.558.900112.4V541 E542 Q543 Y548 K549V541-M545 VanDerWaalsContact O-CB 3.3Å; V541-M545 WeakPolarHBondContact O-CB 3.48Å; V541-M545 PolarHBondContact O-N 3.3Å; E542-M545 PolarHBondContact O-N 2.93Å; Q543-M545 VanDerWaalsContact C-N 3.34Å; Q543-M545 PolarHBondContact O-N 2.82Å; M545-Y548 PolarHBondContact O-N 3.25Å; M545-K549 WeakPolarHBondContact O-CG 3.36Å; M545-K549 PolarHBondContact O-N 2.91Å
546Q66.2Low61.7Low119 Ų119124.7 Ų124.756%0.55661%0.606SS**Hα-helixtrans-67.1-44.1170.3-73.4177.6500110.9E542 Q543 Y548 K549 L550E542-Q546 WeakPolarHBondContact O-CB 3.07Å; E542-Q546 VanDerWaalsContact O-CG 3.31Å; E542-Q546 WeakPolarHBondContact O-CG 3.34Å; E542-Q546 PolarHBondContact O-N 2.8Å; Q543-Q546 PolarHBondContact O-N 3.42Å; Q546-Y548 VanDerWaalsContact C-N 3.28Å; Q546-Y548 PolarHBondContact O-N 2.98Å; Q546-K549 CarbonylContact O-C 3.58Å; Q546-K549 WeakPolarHBondContact O-CA 3.14Å; Q546-K549 PolarHBondContact O-N 3.07Å; Q546-L550 WeakPolarHBondContact O-CD1 3.31Å; Q546-L550 PolarHBondContact O-N 3.49Å
547A70.9Confident59.4Low56 Ų56126.9 Ų126.946%0.46362%0.616SS.*Hα-helixtrans-59.5-37.1173.200000112.4Q543 K544 K551Q543-A547 WeakPolarHBondContact O-CB 3.34Å; Q543-A547 PolarHBondContact O-N 2.93Å; K544-A547 PolarHBondContact O-N 3Å; A547-K551 WeakPolarHBondContact O-CB 3.31Å; A547-K551 PolarHBondContact O-N 2.67Å
548Y55.8Low56.9Low188 Ų188126.2 Ų126.274%0.73762%0.621SS**Hα-helixtrans-65.8-35.4171.7-107.9-85.6000113.3K544 M545 Q546K544-Y548 PolarHBondContact O-N 3.27Å; M545-Y548 PolarHBondContact O-N 3.25Å; Q546-Y548 VanDerWaalsContact C-N 3.28Å; Q546-Y548 PolarHBondContact O-N 2.98Å
549K54.6Low54.5Low147 Ų147125.7 Ų125.764%0.63964%0.635SS**Hα-helixtrans-72.7-41.1174.3-74.1178178.9-179.20112.1M545 Q546 K551 R552M545-K549 WeakPolarHBondContact O-CG 3.36Å; M545-K549 PolarHBondContact O-N 2.91Å; Q546-K549 CarbonylContact O-C 3.58Å; Q546-K549 WeakPolarHBondContact O-CA 3.14Å; Q546-K549 PolarHBondContact O-N 3.07Å; K549-K551 VanDerWaalsContact C-N 3.34Å; K549-K551 PolarHBondContact O-N 2.81Å; K549-R552 PolarHBondContact O-N 3.32Å
550L53.2Low52Low129 Ų129125.8 Ų125.868%0.67565%0.646SS**Hα-helixtrans-66.2-33.7176.5-8979.7000112.2Q546 R552 K553Q546-L550 WeakPolarHBondContact O-CD1 3.31Å; Q546-L550 PolarHBondContact O-N 3.49Å; L550-R552 PolarHBondContact O-N 3.02Å; L550-K553 PolarHBondContact O-N 2.9Å
551K50.8Low49.6Very low187 Ų187130.7 Ų130.781%0.81367%0.674SS**THydrogen-bonded Turntrans-61.1-2.7172.8-93.3-175.6173.7-179.60115.5A547 K549A547-K551 WeakPolarHBondContact O-CB 3.31Å; A547-K551 PolarHBondContact O-N 2.67Å; K549-K551 VanDerWaalsContact C-N 3.34Å; K549-K551 PolarHBondContact O-N 2.81Å
552R43.8Very low47.4Very low229 Ų229132 Ų13286%0.86469%0.688SS**THydrogen-bonded Turntrans-112.51.1176.3-83.5-169.2175.3-177.30.6115.6K549 L550K549-R552 PolarHBondContact O-N 3.32Å; L550-R552 PolarHBondContact O-N 3.02Å
553K35Very low45.2Very low188 Ų188136.1 Ų136.182%0.81772%0.717SS**  trans-141.4104174.2-91.6-174.1170.9-176.70111.5L550L550-K553 PolarHBondContact O-N 2.9Å
554S32.4Very low43.1Very low110 Ų110136.4 Ų136.477%0.76973%0.726SS**  trans-93165.5169.1-56.90000111.5
555T31Very low40.8Very low119 Ų119136.9 Ų136.973%0.7373%0.733SS**  trans85.8100.6170.271.30000119.6
556D33.3Very low39Very low148 Ų148141.1 Ų141.179%0.79175%0.752SS**  67.8144.1128.4-51.2-18.6000120.8
557L31.4Very low37.3Very low158 Ų158141.2 Ų141.283%0.82777%0.766SS**  cis-159161.8-18.4-179.359.8000108.7
558S29Very low36Very low94 Ų94142.3 Ų142.366%0.65777%0.767SS**  trans-70161-177.850.40000116.9
559T26.7Very low36.3Very low138 Ų138140.3 Ų140.385%0.84776%0.764SS**  -178.3150.3117.8-68.60000111.8
560S27.9Very low37.4Very low101 Ų101137.3 Ų137.371%0.70675%0.751SS**  trans-106.7161.1-171.938.60000114.4
561T28.8Very low38.9Very low149 Ų149134 Ų13491%0.91473%0.732SS**  trans-166.2153.7148.9-1.10000113.2
562S28.5Very low40.8Very low110 Ų110128.5 Ų128.577%0.76971%0.711SS**  trans-117.5158.4-169.9-46.60000113.6
563T27.6Very low43.2Very low140 Ų140118.4 Ų118.486%0.85967%0.673SS**  trans171.2161.3153.131.60000110.4
564T30.9Very low45.9Very low115 Ų115112.5 Ų112.571%0.70665%0.649SS**  cis-154.6130.3-39.3-76.50000110.4
565I29.8Very low48.8Very low149 Ų149107.3 Ų107.376%0.76461%0.613SS**  trans3.9131.9155.8-56.1156.7000120.7
566E30.6Very low51.6Low189 Ų189106 Ų10688%0.88360%0.599SS**  trans-123.2155.1134.3-84.6-168.5159.700109.6
567S31.4Very low54.2Low121 Ų121104.1 Ų104.185%0.84658%0.584SS**  trans-83.8135-157.448.50000116.4
568T44Very low56.9Low79 Ų79101.3 Ų101.349%0.48557%0.57SS.*  trans-115.8138.617231.10000111.6
569Q60.9Low59.9Low147 Ų14797.7 Ų97.769%0.68754%0.542SS*.  trans-67.7138.3175.5-87.2178.4-38.400111.8V599Q569-V599 HydrophobicContact CB-CB 4.4Å; Q569-V599 HydrophobicContact CB-CG2 4.2Å; Q569-V599 PolarHBondContact O-N 3.42Å; Q569-V599 VanDerWaalsContact O-N 3.11Å
570K77.9Confident62.9Low83 Ų8396.1 Ų96.136%0.36153%0.533SS..EExtended strand (participates in β ladder)trans-121.1146.7178-70.4171.4155-160.90111D596 V597 F598K570-D596 HydrophobicContact CB-CB 4.46Å; K570-D596 HydrophobicContact CD-CB 3.92Å; K570-D596 HydrophobicContact CG-CB 4.37Å; K570-D596 IonicContact NZ-OD2 2.73Å; K570-D596 PolarHBondContact NZ-OD2 2.66Å; K570-V597 CarbonylContact C-O 3.5Å; K570-V597 VanDerWaalsContact CA-O 3.22Å; K570-V597 WeakPolarHBondContact CA-O 3.27Å; K570-F598 HydrophobicContact CG-CD1 4.14Å; K570-F598 HydrophobicContact CG-CE1 4.24Å
571E86.4Confident65.7Low59 Ų5992.7 Ų92.728%0.27651%0.511SS..EExtended strand (participates in β ladder)trans-119.4141.8171.5-71.3-170.216100110.6Y573 V597 V599 K628E571-Y573 HydrophobicContact CB-CD2 4.2Å; E571-Y573 HydrophobicContact CB-CE2 3.64Å; E571-Y573 WeakPolarHBondContact OE2-CE2 3.25Å; E571-Y573 PolarHBondContact OE2-OH 3.11Å; E571-V597 PolarHBondContact N-O 2.88Å; E571-V597 PolarHBondContact O-N 3.28Å; E571-V599 HydrophobicContact CG-CG2 3.7Å; E571-K628 IonicContact OE1-NZ 3.78Å; E571-K628 PolarHBondContact OE1-NZ 3.38Å; E571-K628 VanDerWaalsContact OE2-CE 3.27Å; E571-K628 WeakPolarHBondContact OE2-CE 3.38Å; E571-K628 IonicContact OE2-NZ 3.02Å; E571-K628 PolarHBondContact OE2-NZ 2.83Å
572L90.6Very high68.3Low72 Ų7296 Ų9638%0.37751%0.506SS..EExtended strand (participates in β ladder)trans-90.3125.5-177.8-166.265.7000111.9L594 K629L572-L594 HydrophobicContact CD1-CB 4.16Å; L572-K629 HydrophobicContact CD2-CD 4.21Å; L572-K629 PolarHBondContact O-N 3.45Å
573Y92.9Very high70.8Confident18 Ų1896 Ų967%0.07149%0.494CS..EExtended strand (participates in β ladder)trans-120153.5177.4-76-111.6000110.7E571 L594 I595 V597 L610 V626 R627 K628E571-Y573 HydrophobicContact CB-CD2 4.2Å; E571-Y573 HydrophobicContact CB-CE2 3.64Å; E571-Y573 WeakPolarHBondContact OE2-CE2 3.25Å; E571-Y573 PolarHBondContact OE2-OH 3.11Å; Y573-L594 CarbonylContact O-C 3.51Å; Y573-L594 WeakPolarHBondContact O-CA 3.29Å; Y573-I595 PolarHBondContact N-O 3Å; Y573-I595 PolarHBondContact O-N 2.95Å; Y573-V597 HydrophobicContact CD1-CG2 4.47Å; Y573-V597 HydrophobicContact CD2-CB 3.71Å; Y573-V597 HydrophobicContact CD2-CG2 3.32Å; Y573-V597 HydrophobicContact CE2-CB 3.79Å; Y573-V597 HydrophobicContact CE2-CG1 4.24Å; Y573-V597 HydrophobicContact CE2-CG2 3.75Å; Y573-V597 HydrophobicContact CG-CG2 3.75Å; Y573-L610 HydrophobicContact CD1-CD1 4.17Å; Y573-L610 HydrophobicContact CE1-CD1 3.96Å; Y573-V626 HydrophobicContact CD1-CB 4.14Å; Y573-V626 HydrophobicContact CD1-CG2 3.67Å; Y573-V626 HydrophobicContact CE1-CG2 4.44Å; Y573-V626 HydrophobicContact CG-CG2 4.4Å; Y573-R627 CarbonylContact C-O 3.55Å; Y573-R627 VanDerWaalsContact CA-O 3.27Å; Y573-R627 WeakPolarHBondContact CA-O 3.4Å; Y573-K628 HydrophobicContact CD1-CB 4.16Å; Y573-K628 HydrophobicContact CE1-CB 3.73Å; Y573-K628 HydrophobicContact CE1-CG 4.38Å; Y573-K628 HydrophobicContact CE2-CB 4.42Å; Y573-K628 HydrophobicContact CE2-CG 4.21Å
574E93Very high73.3Confident63 Ų6395.8 Ų95.829%0.29450%0.495SS..EExtended strand (participates in β ladder)trans-119.7128.9178.9178174.3-173.700109.6M576 T593 L594 V626 R627E574-M576 PolarHBondContact O-N 3.46Å; E574-T593 WeakPolarHBondContact CA-O 3.4Å; E574-L594 HydrophobicContact CB-CD2 4.15Å; E574-L594 HydrophobicContact CG-CD2 4.42Å; E574-V626 CarbonylContact O-C 3.38Å; E574-V626 VanDerWaalsContact O-CA 3.3Å; E574-V626 WeakPolarHBondContact O-CA 3.3Å; E574-R627 HydrophobicContact CB-CG 4.12Å; E574-R627 PolarHBondContact N-O 3.18Å; E574-R627 PolarHBondContact O-N 3.36Å
575A92.4Very high75.8Confident2 Ų294.3 Ų94.32%0.01748%0.483CS..EExtended strand (participates in β ladder)trans-66.7119.5178.800000111.7F589 T590 G592 T593A575-F589 HydrophobicContact CB-CD2 3.37Å; A575-F589 HydrophobicContact CB-CE2 3.58Å; A575-F589 HydrophobicContact CB-CG 4.36Å; A575-T590 VanDerWaalsContact CB-O 3.32Å; A575-T590 WeakPolarHBondContact CB-O 3.4Å; A575-G592 PolarHBondContact O-N 2.96Å; A575-T593 PolarHBondContact N-O 3.46Å
576M88.8Confident78.8Confident91 Ų9188.5 Ų88.545%0.44845%0.453SS..SBendtrans-83.1-23.1174.4-68-177.162.900112.7E574 Y625 R627E574-M576 PolarHBondContact O-N 3.46Å; M576-Y625 PolarHBondContact N-O 2.83Å; M576-R627 HydrophobicContact CG-CB 4.09Å; M576-R627 HydrophobicContact CG-CG 4.2Å; M576-R627 HydrophobicContact SD-CB 3.82Å; M576-R627 HydrophobicContact SD-CG 4.48Å
577F88.1Confident81.6Confident109 Ų10979.8 Ų79.848%0.47841%0.412SS..SBendtrans-144.7156.6-178.4-53-77.2000110.2F589 T591 Y625F577-F589 WeakPolarHBondContact O-CE2 3.37Å; F577-T591 WeakPolarHBondContact CA-OG1 3.34Å; F577-Y625 HydrophobicContact CB-CD1 3.7Å; F577-Y625 HydrophobicContact CB-CE1 3.93Å; F577-Y625 HydrophobicContact CB-CG 4.48Å
578D89.8Confident84.4Confident98 Ų9877.1 Ų77.152%0.52439%0.394SS..  trans-66.9131.6172.8-68.811.9000110.7T590 T591 Y625D578-T590 WeakPolarHBondContact OD1-CA 3.48Å; D578-T591 PolarHBondContact N-OG1 3.19Å; D578-T591 WeakPolarHBondContact OD1-CB 3.5Å; D578-T591 PolarHBondContact OD1-N 3.48Å; D578-T591 PolarHBondContact OD1-OG1 3.27Å; D578-Y625 VanDerWaalsContact O-CE1 3.28Å; D578-Y625 WeakPolarHBondContact O-CE1 3.49Å
579F91.2Very high86.8Confident18 Ų1874 Ų748%0.07937%0.374CS..BIsolated β-bridgetrans-128.5126.9176.5-178.1-105.9000110.7E586 L587 S588 F589 W609 F621 P622 Y625F579-E586 HydrophobicContact CE1-CB 4.43Å; F579-L587 WeakPolarHBondContact CD1-O 3.31Å; F579-S588 CarbonylContact O-C 3.59Å; F579-S588 VanDerWaalsContact O-CA 3.27Å; F579-S588 WeakPolarHBondContact O-CA 3.33Å; F579-F589 HydrophobicContact CB-CD1 4.31Å; F579-F589 HydrophobicContact CB-CD2 3.97Å; F579-F589 HydrophobicContact CB-CE1 3.89Å; F579-F589 HydrophobicContact CB-CE2 3.51Å; F579-F589 HydrophobicContact CB-CG 4.37Å; F579-F589 HydrophobicContact CB-CZ 3.48Å; F579-F589 VanDerWaalsContact CB-CZ 3.48Å; F579-F589 HydrophobicContact CD1-CD1 4.33Å; F579-F589 AromaticContact CD1-CE1 3.79Å; F579-F589 HydrophobicContact CD1-CE1 3.79Å; F579-F589 HydrophobicContact CD1-CZ 4.11Å; F579-F589 HydrophobicContact CG-CE1 4.2Å; F579-F589 HydrophobicContact CG-CZ 4.05Å; F579-F589 PolarHBondContact N-O 2.97Å; F579-F589 PolarHBondContact O-N 3.48Å; F579-F589 VanDerWaalsContact O-O 3.05Å; F579-W609 HydrophobicContact CZ-CH2 4.38Å; F579-W609 HydrophobicContact CZ-CZ3 4.22Å; F579-F621 HydrophobicContact CD1-CB 4.05Å; F579-F621 HydrophobicContact CE1-CB 4Å; F579-P622 HydrophobicContact CD2-CG 4.08Å; F579-P622 VanDerWaalsContact CE2-CD 3.45Å; F579-P622 HydrophobicContact CE2-CG 3.68Å; F579-P622 HydrophobicContact CZ-CG 4.19Å; F579-Y625 HydrophobicContact CB-CD1 3.77Å; F579-Y625 HydrophobicContact CB-CE1 4.29Å; F579-Y625 HydrophobicContact CB-CG 4.45Å; F579-Y625 HydrophobicContact CD2-CD1 4.11Å; F579-Y625 HydrophobicContact CD2-CE1 4.18Å; F579-Y625 HydrophobicContact CD2-CG 4.42Å; F579-Y625 HydrophobicContact CG-CD1 4.34Å
580T90.5Very high88.3Confident106 Ų10671.1 Ų71.165%0.6537%0.366SS*.  trans-111.6116.8179.8-55.80000109.4R582T580-R582 PolarHBondContact O-N 2.94Å
581A85.9Confident88.7Confident29 Ų2971 Ų7124%0.2437%0.372CS..  trans-56128.3176.900000111.7E586 S588A581-E586 HydrophobicContact CB-CB 3.61Å; A581-E586 WeakPolarHBondContact CB-O 3.46Å; A581-S588 VanDerWaalsContact CB-OG 3.23Å; A581-S588 WeakPolarHBondContact CB-OG 3.36Å; A581-S588 PolarHBondContact N-OG 2.67Å
582R83.3Confident88.7Confident217 Ų21770 Ų7082%0.81938%0.378SS*.SBendtrans-97.5-17.7176.7-57.9-177.4-179-171.30.1112.6T580 E586T580-R582 PolarHBondContact O-N 2.94Å; R582-E586 PolarHBondContact N-OE2 3.25Å
583H80.9Confident88.7Confident110 Ų11068.2 Ų68.251%0.50937%0.37SS..SBendtrans-131.7160.6176.8-61.990.5000111.8D585 E586H583-D585 WeakPolarHBondContact CB-OD1 3.48Å; H583-D585 PolarHBondContact O-N 3.42Å; H583-E586 HydrophobicContact CB-CG 4.29Å; H583-E586 IonicContact CE1-OE1 3.37Å; H583-E586 IonicContact CG-OE1 3.47Å; H583-E586 IonicContact ND1-OE1 2.69Å; H583-E586 PolarHBondContact ND1-OE1 3.5Å; H583-E586 PolarHBondContact O-N 2.83Å; H583-E586 VanDerWaalsContact O-N 3.08Å
584P80.6Confident88.6Confident137 Ų13771 Ų7189%0.8939%0.386SS*.THydrogen-bonded Turntrans-66.2-16.8-177.8-20.533.8000115.1
585D83.4Confident88.6Confident84 Ų8468.1 Ų68.145%0.44937%0.372SS..THydrogen-bonded Turntrans-94.52.1175.959-41.7000113.2H583 G619 L620H583-D585 WeakPolarHBondContact CB-OD1 3.48Å; H583-D585 PolarHBondContact O-N 3.42Å; D585-G619 CarbonylContact O-C 3.47Å; D585-G619 WeakPolarHBondContact O-CA 3.43Å; D585-L620 PolarHBondContact O-N 2.88Å
586E91.4Very high88.6Confident27 Ų2770.6 Ų70.613%0.12639%0.386CS..BIsolated β-bridgetrans-98.3153.1172.3-66.6172.3-146.600111.7F579 A581 R582 H583 W609 L620F579-E586 HydrophobicContact CE1-CB 4.43Å; A581-E586 HydrophobicContact CB-CB 3.61Å; A581-E586 WeakPolarHBondContact CB-O 3.46Å; R582-E586 PolarHBondContact N-OE2 3.25Å; H583-E586 HydrophobicContact CB-CG 4.29Å; H583-E586 IonicContact CE1-OE1 3.37Å; H583-E586 IonicContact CG-OE1 3.47Å; H583-E586 IonicContact ND1-OE1 2.69Å; H583-E586 PolarHBondContact ND1-OE1 3.5Å; H583-E586 PolarHBondContact O-N 2.83Å; H583-E586 VanDerWaalsContact O-N 3.08Å; E586-W609 HydrophobicContact CG-CZ3 4.27Å; E586-L620 CarbonylContact C-O 3.56Å; E586-L620 VanDerWaalsContact CA-O 3.26Å; E586-L620 WeakPolarHBondContact CA-O 3.33Å
587L89.4Confident88.7Confident5 Ų566.6 Ų66.63%0.02637%0.366CS..  trans-108.2114.2-178.1-103.2173.3000112.5F579 F589 G612 I614 K617 L620 F621F579-L587 WeakPolarHBondContact CD1-O 3.31Å; L587-F589 VanDerWaalsContact O-CD1 3.27Å; L587-F589 WeakPolarHBondContact O-CD1 3.44Å; L587-G612 WeakPolarHBondContact CD1-O 3.26Å; L587-I614 HydrophobicContact CB-CD1 4.48Å; L587-I614 HydrophobicContact CD1-CD1 4.37Å; L587-I614 HydrophobicContact CD1-CG1 4.06Å; L587-I614 HydrophobicContact CD2-CB 3.98Å; L587-I614 HydrophobicContact CD2-CD1 4.13Å; L587-I614 HydrophobicContact CD2-CG1 4.07Å; L587-K617 HydrophobicContact CD2-CB 3.8Å; L587-L620 PolarHBondContact N-O 3.12Å; L587-F621 HydrophobicContact CB-CD1 4.18Å; L587-F621 HydrophobicContact CD1-CD1 4.3Å; L587-F621 HydrophobicContact CD1-CE1 4.29Å
588S91.5Very high88.7Confident66 Ų6662.7 Ų62.746%0.46235%0.349SS..  trans-76140173-58.20000112.9F579 A581F579-S588 CarbonylContact O-C 3.59Å; F579-S588 VanDerWaalsContact O-CA 3.27Å; F579-S588 WeakPolarHBondContact O-CA 3.33Å; A581-S588 VanDerWaalsContact CB-OG 3.23Å; A581-S588 WeakPolarHBondContact CB-OG 3.36Å; A581-S588 PolarHBondContact N-OG 2.67Å
589F93.4Very high88Confident14 Ų1461.3 Ų61.36%0.06134%0.344CS..BIsolated β-bridgetrans-156.3159.2173.952.5-99.2000112.8A575 F577 F579 L587 T593 I595 I614 F621 V626A575-F589 HydrophobicContact CB-CD2 3.37Å; A575-F589 HydrophobicContact CB-CE2 3.58Å; A575-F589 HydrophobicContact CB-CG 4.36Å; F577-F589 WeakPolarHBondContact O-CE2 3.37Å; F579-F589 HydrophobicContact CB-CD1 4.31Å; F579-F589 HydrophobicContact CB-CD2 3.97Å; F579-F589 HydrophobicContact CB-CE1 3.89Å; F579-F589 HydrophobicContact CB-CE2 3.51Å; F579-F589 HydrophobicContact CB-CG 4.37Å; F579-F589 HydrophobicContact CB-CZ 3.48Å; F579-F589 VanDerWaalsContact CB-CZ 3.48Å; F579-F589 HydrophobicContact CD1-CD1 4.33Å; F579-F589 AromaticContact CD1-CE1 3.79Å; F579-F589 HydrophobicContact CD1-CE1 3.79Å; F579-F589 HydrophobicContact CD1-CZ 4.11Å; F579-F589 HydrophobicContact CG-CE1 4.2Å; F579-F589 HydrophobicContact CG-CZ 4.05Å; F579-F589 PolarHBondContact N-O 2.97Å; F579-F589 PolarHBondContact O-N 3.48Å; F579-F589 VanDerWaalsContact O-O 3.05Å; L587-F589 VanDerWaalsContact O-CD1 3.27Å; L587-F589 WeakPolarHBondContact O-CD1 3.44Å; F589-T593 HydrophobicContact CB-CG2 3.85Å; F589-I595 HydrophobicContact CB-CD1 4.49Å; F589-I595 HydrophobicContact CD1-CD1 3.51Å; F589-I595 HydrophobicContact CD2-CD1 4.15Å; F589-I595 HydrophobicContact CE1-CD1 3.54Å; F589-I595 HydrophobicContact CE2-CD1 4.18Å; F589-I595 HydrophobicContact CG-CD1 3.81Å; F589-I595 HydrophobicContact CZ-CD1 3.88Å; F589-I614 HydrophobicContact CB-CD1 3.76Å; F589-I614 HydrophobicContact CD1-CD1 3.78Å; F589-I614 HydrophobicContact CG-CD1 4.17Å; F589-F621 HydrophobicContact CE1-CB 3.56Å; F589-F621 HydrophobicContact CE1-CD1 4.33Å; F589-F621 HydrophobicContact CE1-CD2 4.07Å; F589-F621 AromaticContact CE1-CG 3.74Å; F589-F621 HydrophobicContact CE1-CG 3.74Å; F589-F621 HydrophobicContact CZ-CB 4.08Å; F589-F621 HydrophobicContact CZ-CD2 4.23Å; F589-F621 HydrophobicContact CZ-CG 4.3Å; F589-V626 HydrophobicContact CE2-CG1 4.3Å; F589-V626 HydrophobicContact CZ-CG1 3.97Å
590T92Very high87Confident85 Ų8565.8 Ų65.852%0.52137%0.368SS..  trans-102.2162.1171.255.20000111.1A575 D578 G592 T593A575-T590 VanDerWaalsContact CB-O 3.32Å; A575-T590 WeakPolarHBondContact CB-O 3.4Å; D578-T590 WeakPolarHBondContact OD1-CA 3.48Å; T590-G592 PolarHBondContact O-N 2.94Å; T590-T593 PolarHBondContact N-OG1 2.96Å; T590-T593 WeakPolarHBondContact O-CB 3.31Å; T590-T593 PolarHBondContact O-N 3.3Å; T590-T593 PolarHBondContact O-OG1 3.46Å; T590-T593 PolarHBondContact OG1-OG1 3.16Å
591T87.8Confident86.1Confident80 Ų8062.4 Ų62.449%0.49135%0.351SS..THydrogen-bonded Turntrans-49.2134.1173.3-54.60000110.7F577 D578 T593F577-T591 WeakPolarHBondContact CA-OG1 3.34Å; D578-T591 PolarHBondContact N-OG1 3.19Å; D578-T591 WeakPolarHBondContact OD1-CB 3.5Å; D578-T591 PolarHBondContact OD1-N 3.48Å; D578-T591 PolarHBondContact OD1-OG1 3.27Å; T591-T593 VanDerWaalsContact C-N 3.33Å; T591-T593 PolarHBondContact O-N 3.46Å
592G85Confident85.1Confident40 Ų4065.9 Ų65.941%0.41237%0.371SS..THydrogen-bonded Turntrans81.4-4-17400000115.9A575 T590A575-G592 PolarHBondContact O-N 2.96Å; T590-G592 PolarHBondContact O-N 2.94Å
593T91.3Very high84.4Confident33 Ų3359.2 Ų59.220%0.20235%0.351CS..  trans-65.2139173.7-570000110.9E574 A575 F589 T590 T591 I595 I614E574-T593 WeakPolarHBondContact CA-O 3.4Å; A575-T593 PolarHBondContact N-O 3.46Å; F589-T593 HydrophobicContact CB-CG2 3.85Å; T590-T593 PolarHBondContact N-OG1 2.96Å; T590-T593 WeakPolarHBondContact O-CB 3.31Å; T590-T593 PolarHBondContact O-N 3.3Å; T590-T593 PolarHBondContact O-OG1 3.46Å; T590-T593 PolarHBondContact OG1-OG1 3.16Å; T591-T593 VanDerWaalsContact C-N 3.33Å; T591-T593 PolarHBondContact O-N 3.46Å; T593-I595 HydrophobicContact CG2-CG1 4.43Å; T593-I614 HydrophobicContact CG2-CD1 4.16Å; T593-I614 HydrophobicContact CG2-CG2 4.06Å
594L91.4Very high83.7Confident78 Ų7862.4 Ų62.441%0.40837%0.372SS..EExtended strand (participates in β ladder)trans-93.8136.5175.1-62176.9000111L572 Y573 E574 K629L572-L594 HydrophobicContact CD1-CB 4.16Å; Y573-L594 CarbonylContact O-C 3.51Å; Y573-L594 WeakPolarHBondContact O-CA 3.29Å; E574-L594 HydrophobicContact CB-CD2 4.15Å; E574-L594 HydrophobicContact CG-CD2 4.42Å; L594-K629 HydrophobicContact CD2-CD 3.7Å
595I92.3Very high83.7Confident1 Ų158.2 Ų58.21%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-134.6127.6-169.9-45.1179.3000110.5Y573 F589 T593 V597 I614 F621 V626Y573-I595 PolarHBondContact N-O 3Å; Y573-I595 PolarHBondContact O-N 2.95Å; F589-I595 HydrophobicContact CB-CD1 4.49Å; F589-I595 HydrophobicContact CD1-CD1 3.51Å; F589-I595 HydrophobicContact CD2-CD1 4.15Å; F589-I595 HydrophobicContact CE1-CD1 3.54Å; F589-I595 HydrophobicContact CE2-CD1 4.18Å; F589-I595 HydrophobicContact CG-CD1 3.81Å; F589-I595 HydrophobicContact CZ-CD1 3.88Å; T593-I595 HydrophobicContact CG2-CG1 4.43Å; I595-V597 PolarHBondContact O-N 3.05Å; I595-I614 HydrophobicContact CB-CD1 4.36Å; I595-I614 HydrophobicContact CB-CG1 4.15Å; I595-I614 HydrophobicContact CD1-CD1 3.84Å; I595-I614 HydrophobicContact CG1-CD1 3.64Å; I595-I614 HydrophobicContact CG1-CG1 3.93Å; I595-I614 HydrophobicContact CG2-CD1 4.05Å; I595-I614 HydrophobicContact CG2-CG1 3.68Å; I595-F621 HydrophobicContact CB-CZ 4.24Å; I595-F621 HydrophobicContact CD1-CE2 4.25Å; I595-F621 HydrophobicContact CD1-CZ 4.25Å; I595-F621 HydrophobicContact CG2-CE1 3.52Å; I595-F621 HydrophobicContact CG2-CE2 4.35Å; I595-F621 HydrophobicContact CG2-CZ 3.39Å; I595-V626 HydrophobicContact CD1-CG1 3.82Å
596D92.2Very high83.3Confident55 Ų5556 Ų5629%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-84.799.4174.9-82.9-12.7000110.1K570 G612 Q613K570-D596 HydrophobicContact CB-CB 4.46Å; K570-D596 HydrophobicContact CD-CB 3.92Å; K570-D596 HydrophobicContact CG-CB 4.37Å; K570-D596 IonicContact NZ-OD2 2.73Å; K570-D596 PolarHBondContact NZ-OD2 2.66Å; D596-G612 CarbonylContact O-C 3.44Å; D596-G612 VanDerWaalsContact O-C 3.31Å; D596-G612 WeakPolarHBondContact O-CA 3.35Å; D596-Q613 HydrophobicContact CB-CB 4.2Å; D596-Q613 PolarHBondContact N-O 3.21Å; D596-Q613 PolarHBondContact O-N 2.83Å
597V90.6Very high82.7Confident6 Ų661.2 Ų61.24%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-78.6129.8174.9172.30000110.7K570 E571 Y573 I595 L610 F621K570-V597 CarbonylContact C-O 3.5Å; K570-V597 VanDerWaalsContact CA-O 3.22Å; K570-V597 WeakPolarHBondContact CA-O 3.27Å; E571-V597 PolarHBondContact N-O 2.88Å; E571-V597 PolarHBondContact O-N 3.28Å; Y573-V597 HydrophobicContact CD1-CG2 4.47Å; Y573-V597 HydrophobicContact CD2-CB 3.71Å; Y573-V597 HydrophobicContact CD2-CG2 3.32Å; Y573-V597 HydrophobicContact CE2-CB 3.79Å; Y573-V597 HydrophobicContact CE2-CG1 4.24Å; Y573-V597 HydrophobicContact CE2-CG2 3.75Å; Y573-V597 HydrophobicContact CG-CG2 3.75Å; I595-V597 PolarHBondContact O-N 3.05Å; V597-L610 HydrophobicContact CG1-CB 4.44Å; V597-L610 HydrophobicContact CG1-CD2 4.36Å; V597-L610 HydrophobicContact CG2-CB 4.36Å; V597-L610 HydrophobicContact CG2-CD1 4.12Å; V597-F621 HydrophobicContact CG2-CE2 4.18Å; V597-F621 HydrophobicContact CG2-CZ 3.61Å
598F88Confident82.5Confident28 Ų2862.8 Ų62.812%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-78.9120172.8-64.4-84.3000110.4K570 N600 Y611 Q613 V618K570-F598 HydrophobicContact CG-CD1 4.14Å; K570-F598 HydrophobicContact CG-CE1 4.24Å; F598-N600 PolarHBondContact O-N 3.01Å; F598-Y611 HydrophobicContact CB-CD1 4.32Å; F598-Y611 AromaticContact CD2-CD1 3.53Å; F598-Y611 HydrophobicContact CD2-CD1 3.53Å; F598-Y611 AromaticContact CD2-CE1 3.73Å; F598-Y611 HydrophobicContact CD2-CE1 3.73Å; F598-Y611 HydrophobicContact CE2-CD1 4.22Å; F598-Y611 AromaticContact CE2-CE1 4Å; F598-Y611 HydrophobicContact CE2-CE1 4Å; F598-Y611 HydrophobicContact CG-CD1 4.24Å; F598-Y611 PolarHBondContact N-O 3.28Å; F598-Q613 HydrophobicContact CE2-CB 3.98Å; F598-Q613 HydrophobicContact CZ-CB 4.14Å; F598-V618 HydrophobicContact CE2-CG1 3.95Å; F598-V618 HydrophobicContact CZ-CG1 4.18Å
599V76.4Confident82.4Confident69 Ų6964.1 Ų64.142%0.41839%0.389SS..SBendtrans-63.3-33.7178.3-178.60000111.5Q569 E571Q569-V599 HydrophobicContact CB-CB 4.4Å; Q569-V599 HydrophobicContact CB-CG2 4.2Å; Q569-V599 PolarHBondContact O-N 3.42Å; Q569-V599 VanDerWaalsContact O-N 3.11Å; E571-V599 HydrophobicContact CG-CG2 3.7Å
600N69.4Low82.2Confident111 Ų11164.8 Ų64.859%0.59439%0.393SS*.SBendtrans-117.785.1175.2-65.3-35.2000108.8F598F598-N600 PolarHBondContact O-N 3.01Å
601A71.2Confident82.3Confident35 Ų3562.3 Ų62.329%0.28938%0.375SS..  trans-63.1136.9178.800000111.5I603 V605 Y611A601-I603 PolarHBondContact O-N 3.33Å; A601-V605 HydrophobicContact CB-CG2 3.56Å; A601-Y611 HydrophobicContact CB-CD1 4.02Å; A601-Y611 HydrophobicContact CB-CG 4.16Å
602P66Low82.4Confident102 Ų10258.5 Ų58.566%0.66235%0.351SS*.SBendtrans-73.8-0.3177.430.8-35.9000114Y611P602-Y611 VanDerWaalsContact CD-CE1 3.48Å; P602-Y611 HydrophobicContact CG-CD1 4.43Å; P602-Y611 HydrophobicContact CG-CE1 3.73Å
603I68.4Low82.8Confident77 Ų7758.4 Ų58.440%0.39534%0.34SS..SBendtrans-13115317859.2171.5000110.1A601 V605 Y611 L620A601-I603 PolarHBondContact O-N 3.33Å; I603-V605 HydrophobicContact CG1-CG2 4.49Å; I603-V605 PolarHBondContact O-N 3.33Å; I603-Y611 HydrophobicContact CD1-CD2 3.64Å; I603-Y611 HydrophobicContact CD1-CE2 3.61Å; I603-Y611 HydrophobicContact CD1-CG 4.48Å; I603-Y611 HydrophobicContact CG1-CD2 4Å; I603-Y611 HydrophobicContact CG1-CE2 4.1Å; I603-Y611 HydrophobicContact CG1-CG 4.38Å; I603-L620 HydrophobicContact CD1-CD1 4.21Å; I603-L620 HydrophobicContact CD1-CD2 4.13Å; I603-L620 HydrophobicContact CD1-CG 4.17Å
604N66Low82.7Confident177 Ų17757.7 Ų57.795%0.94734%0.335SS*.  trans-68.5104.3175.6-83.3-26.9000110.5
605V79.5Confident82.3Confident50 Ų5061.3 Ų61.330%0.30336%0.355SS..PPolyproline II helixtrans-84.5128.7176.6-170.50000109.7A601 I603 W609 L620A601-V605 HydrophobicContact CB-CG2 3.56Å; I603-V605 HydrophobicContact CG1-CG2 4.49Å; I603-V605 PolarHBondContact O-N 3.33Å; V605-W609 VanDerWaalsContact CG1-C 3.41Å; V605-W609 HydrophobicContact CG1-CB 3.61Å; V605-W609 WeakPolarHBondContact CG1-O 3.3Å; V605-L620 HydrophobicContact CG1-CD2 3.95Å; V605-L620 HydrophobicContact CG2-CD2 4.11Å
606G76.3Confident81.7Confident37 Ų3768.1 Ų68.138%0.38139%0.391SS..PPolyproline II helixtrans-72.3157.4177.400000112.9G608 W609G606-G608 PolarHBondContact O-N 3.26Å; G606-W609 PolarHBondContact O-N 3.49Å; G606-W609 VanDerWaalsContact O-N 3.09Å
607P79.3Confident81.3Confident137 Ų13772.8 Ų72.889%0.8941%0.409SS*.THydrogen-bonded Turntrans-58.2133.5176.825.2-34000111.1
608G83.4Confident81.2Confident37 Ų3775.7 Ų75.738%0.38143%0.426SS..THydrogen-bonded Turntrans84.84.2-175.600000115.2G606 P622 E623G606-G608 PolarHBondContact O-N 3.26Å; G608-P622 CarbonylContact O-C 3.56Å; G608-P622 WeakPolarHBondContact O-CA 3.47Å; G608-E623 PolarHBondContact O-N 3.05Å
609W89.7Confident81.3Confident95 Ų9574.4 Ų74.436%0.3642%0.421SS..EExtended strand (participates in β ladder)trans-116154.8170.8-68.979.2000111F579 E586 V605 G606 L620 F621 P622F579-W609 HydrophobicContact CZ-CH2 4.38Å; F579-W609 HydrophobicContact CZ-CZ3 4.22Å; E586-W609 HydrophobicContact CG-CZ3 4.27Å; V605-W609 VanDerWaalsContact CG1-C 3.41Å; V605-W609 HydrophobicContact CG1-CB 3.61Å; V605-W609 WeakPolarHBondContact CG1-O 3.3Å; G606-W609 PolarHBondContact O-N 3.49Å; G606-W609 VanDerWaalsContact O-N 3.09Å; W609-L620 HydrophobicContact CE3-CB 3.88Å; W609-L620 HydrophobicContact CZ3-CB 4.17Å; W609-F621 CarbonylContact C-O 3.56Å; W609-F621 WeakPolarHBondContact CA-O 3.31Å; W609-P622 HydrophobicContact CE3-CG 4.47Å; W609-P622 HydrophobicContact CH2-CG 4.32Å; W609-P622 HydrophobicContact CZ3-CG 4.24Å
610L90.9Very high82Confident28 Ų2872.5 Ų72.515%0.14741%0.408CS..EExtended strand (participates in β ladder)trans-125.6155171.4-64.6175.8000109.3Y573 V597 L620 F621 E623 V626Y573-L610 HydrophobicContact CD1-CD1 4.17Å; Y573-L610 HydrophobicContact CE1-CD1 3.96Å; V597-L610 HydrophobicContact CG1-CB 4.44Å; V597-L610 HydrophobicContact CG1-CD2 4.36Å; V597-L610 HydrophobicContact CG2-CB 4.36Å; V597-L610 HydrophobicContact CG2-CD1 4.12Å; L610-L620 WeakPolarHBondContact O-CA 3.46Å; L610-F621 HydrophobicContact CB-CD2 4.2Å; L610-F621 HydrophobicContact CB-CE2 3.77Å; L610-F621 HydrophobicContact CB-CZ 4.04Å; L610-F621 HydrophobicContact CD1-CE2 4.07Å; L610-F621 PolarHBondContact N-O 3.43Å; L610-F621 PolarHBondContact O-N 3Å; L610-E623 HydrophobicContact CD1-CB 4.22Å; L610-E623 HydrophobicContact CD1-CG 4.12Å; L610-E623 HydrophobicContact CG-CB 4.04Å; L610-E623 HydrophobicContact CG-CG 4.3Å; L610-V626 HydrophobicContact CD1-CG2 3.74Å
611Y93.2Very high83.1Confident32 Ų3267.2 Ų67.213%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-117.5126.5174.7-176-100.9000109.4F598 A601 P602 I603 V618 G619 L620F598-Y611 HydrophobicContact CB-CD1 4.32Å; F598-Y611 AromaticContact CD2-CD1 3.53Å; F598-Y611 HydrophobicContact CD2-CD1 3.53Å; F598-Y611 AromaticContact CD2-CE1 3.73Å; F598-Y611 HydrophobicContact CD2-CE1 3.73Å; F598-Y611 HydrophobicContact CE2-CD1 4.22Å; F598-Y611 AromaticContact CE2-CE1 4Å; F598-Y611 HydrophobicContact CE2-CE1 4Å; F598-Y611 HydrophobicContact CG-CD1 4.24Å; F598-Y611 PolarHBondContact N-O 3.28Å; A601-Y611 HydrophobicContact CB-CD1 4.02Å; A601-Y611 HydrophobicContact CB-CG 4.16Å; P602-Y611 VanDerWaalsContact CD-CE1 3.48Å; P602-Y611 HydrophobicContact CG-CD1 4.43Å; P602-Y611 HydrophobicContact CG-CE1 3.73Å; I603-Y611 HydrophobicContact CD1-CD2 3.64Å; I603-Y611 HydrophobicContact CD1-CE2 3.61Å; I603-Y611 HydrophobicContact CD1-CG 4.48Å; I603-Y611 HydrophobicContact CG1-CD2 4Å; I603-Y611 HydrophobicContact CG1-CE2 4.1Å; I603-Y611 HydrophobicContact CG1-CG 4.38Å; Y611-V618 WeakPolarHBondContact OH-CG2 3.5Å; Y611-G619 WeakPolarHBondContact CA-O 3.44Å; Y611-L620 HydrophobicContact CD2-CD2 4.01Å; Y611-L620 HydrophobicContact CD2-CG 4.16Å
612G90.8Very high84.1Confident0 Ų066.2 Ų66.20%037%0.371CS..EExtended strand (participates in β ladder)trans-151.1-170.3-174.300000114.4L587 D596 V618 G619L587-G612 WeakPolarHBondContact CD1-O 3.26Å; D596-G612 CarbonylContact O-C 3.44Å; D596-G612 VanDerWaalsContact O-C 3.31Å; D596-G612 WeakPolarHBondContact O-CA 3.35Å; G612-V618 CarbonylContact O-C 3.57Å; G612-V618 VanDerWaalsContact O-CA 3.24Å; G612-V618 WeakPolarHBondContact O-CA 3.32Å; G612-G619 PolarHBondContact N-O 2.86Å; G612-G619 PolarHBondContact O-N 3.47Å
613Q92.8Very high85.3Confident39 Ų3964.7 Ų64.718%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-131.2137.7-179-173.2178.5-1200111.2D596 F598 D616 K617 V618D596-Q613 HydrophobicContact CB-CB 4.2Å; D596-Q613 PolarHBondContact N-O 3.21Å; D596-Q613 PolarHBondContact O-N 2.83Å; F598-Q613 HydrophobicContact CE2-CB 3.98Å; F598-Q613 HydrophobicContact CZ-CB 4.14Å; Q613-D616 PolarHBondContact NE2-OD1 3.35Å; Q613-K617 CarbonylContact C-O 3.55Å; Q613-K617 VanDerWaalsContact CA-O 3.23Å; Q613-K617 WeakPolarHBondContact CA-O 3.41Å; Q613-K617 WeakPolarHBondContact CG-O 3.47Å; Q613-V618 HydrophobicContact CB-CG1 3.98Å; Q613-V618 HydrophobicContact CG-CG1 3.96Å
614I89.5Confident86.3Confident18 Ų1866 Ų669%0.09237%0.366CS..EExtended strand (participates in β ladder)trans-138.6123.8169.8-51174.8000107.3L587 F589 T593 I595 D616 K617L587-I614 HydrophobicContact CB-CD1 4.48Å; L587-I614 HydrophobicContact CD1-CD1 4.37Å; L587-I614 HydrophobicContact CD1-CG1 4.06Å; L587-I614 HydrophobicContact CD2-CB 3.98Å; L587-I614 HydrophobicContact CD2-CD1 4.13Å; L587-I614 HydrophobicContact CD2-CG1 4.07Å; F589-I614 HydrophobicContact CB-CD1 3.76Å; F589-I614 HydrophobicContact CD1-CD1 3.78Å; F589-I614 HydrophobicContact CG-CD1 4.17Å; T593-I614 HydrophobicContact CG2-CD1 4.16Å; T593-I614 HydrophobicContact CG2-CG2 4.06Å; I595-I614 HydrophobicContact CB-CD1 4.36Å; I595-I614 HydrophobicContact CB-CG1 4.15Å; I595-I614 HydrophobicContact CD1-CD1 3.84Å; I595-I614 HydrophobicContact CG1-CD1 3.64Å; I595-I614 HydrophobicContact CG1-CG1 3.93Å; I595-I614 HydrophobicContact CG2-CD1 4.05Å; I595-I614 HydrophobicContact CG2-CG1 3.68Å; I614-D616 VanDerWaalsContact C-N 3.33Å; I614-D616 PolarHBondContact O-N 2.88Å; I614-K617 PolarHBondContact N-O 3.23Å; I614-K617 PolarHBondContact O-N 3.04Å
615N82Confident87.5Confident154 Ų15461.5 Ų61.582%0.82434%0.337SS*.THydrogen-bonded Turntrans45.852.9175.8-59.7-27.4000113.3K617N615-K617 PolarHBondContact O-N 3.14Å
616D79.1Confident88.2Confident143 Ų14359.7 Ų59.777%0.76533%0.326SS*.THydrogen-bonded Turntrans59.94.9-177.9-59.3-35.2000117.5Q613 I614Q613-D616 PolarHBondContact NE2-OD1 3.35Å; I614-D616 VanDerWaalsContact C-N 3.33Å; I614-D616 PolarHBondContact O-N 2.88Å
617K84Confident88.8Confident153 Ų15363.9 Ų63.967%0.66533%0.33SS*.EExtended strand (participates in β ladder)trans-89137.9161.9-67.2-176.1177.2-177.90109.8L587 Q613 I614 N615L587-K617 HydrophobicContact CD2-CB 3.8Å; Q613-K617 CarbonylContact C-O 3.55Å; Q613-K617 VanDerWaalsContact CA-O 3.23Å; Q613-K617 WeakPolarHBondContact CA-O 3.41Å; Q613-K617 WeakPolarHBondContact CG-O 3.47Å; I614-K617 PolarHBondContact N-O 3.23Å; I614-K617 PolarHBondContact O-N 3.04Å; N615-K617 PolarHBondContact O-N 3.14Å
618V89.6Confident89.2Confident68 Ų6861.9 Ų61.941%0.41231%0.307SS..EExtended strand (participates in β ladder)trans-113.7147.4173.2-65.40000110.2F598 Y611 G612 Q613F598-V618 HydrophobicContact CE2-CG1 3.95Å; F598-V618 HydrophobicContact CZ-CG1 4.18Å; Y611-V618 WeakPolarHBondContact OH-CG2 3.5Å; G612-V618 CarbonylContact O-C 3.57Å; G612-V618 VanDerWaalsContact O-CA 3.24Å; G612-V618 WeakPolarHBondContact O-CA 3.32Å; Q613-V618 HydrophobicContact CB-CG1 3.98Å; Q613-V618 HydrophobicContact CG-CG1 3.96Å
619G89.4Confident89Confident1 Ų164 Ų641%0.0131%0.306CS..EExtended strand (participates in β ladder)trans175.3176.7-179.100000115D585 Y611 G612D585-G619 CarbonylContact O-C 3.47Å; D585-G619 WeakPolarHBondContact O-CA 3.43Å; Y611-G619 WeakPolarHBondContact CA-O 3.44Å; G612-G619 PolarHBondContact N-O 2.86Å; G612-G619 PolarHBondContact O-N 3.47Å
620L91.2Very high87.9Confident28 Ų2864.5 Ų64.515%0.14732%0.319CS..EExtended strand (participates in β ladder)trans-86.7145.2179.5-68.2166.5000111.4D585 E586 L587 I603 V605 W609 L610 Y611D585-L620 PolarHBondContact O-N 2.88Å; E586-L620 CarbonylContact C-O 3.56Å; E586-L620 VanDerWaalsContact CA-O 3.26Å; E586-L620 WeakPolarHBondContact CA-O 3.33Å; L587-L620 PolarHBondContact N-O 3.12Å; I603-L620 HydrophobicContact CD1-CD1 4.21Å; I603-L620 HydrophobicContact CD1-CD2 4.13Å; I603-L620 HydrophobicContact CD1-CG 4.17Å; V605-L620 HydrophobicContact CG1-CD2 3.95Å; V605-L620 HydrophobicContact CG2-CD2 4.11Å; W609-L620 HydrophobicContact CE3-CB 3.88Å; W609-L620 HydrophobicContact CZ3-CB 4.17Å; L610-L620 WeakPolarHBondContact O-CA 3.46Å; Y611-L620 HydrophobicContact CD2-CD2 4.01Å; Y611-L620 HydrophobicContact CD2-CG 4.16Å
621F93.4Very high86Confident0 Ų071 Ų710%035%0.354CS..EExtended strand (participates in β ladder)trans-154.2157.6168.852-88.7000111.5F579 L587 F589 I595 V597 W609 L610 V626F579-F621 HydrophobicContact CD1-CB 4.05Å; F579-F621 HydrophobicContact CE1-CB 4Å; L587-F621 HydrophobicContact CB-CD1 4.18Å; L587-F621 HydrophobicContact CD1-CD1 4.3Å; L587-F621 HydrophobicContact CD1-CE1 4.29Å; F589-F621 HydrophobicContact CE1-CB 3.56Å; F589-F621 HydrophobicContact CE1-CD1 4.33Å; F589-F621 HydrophobicContact CE1-CD2 4.07Å; F589-F621 AromaticContact CE1-CG 3.74Å; F589-F621 HydrophobicContact CE1-CG 3.74Å; F589-F621 HydrophobicContact CZ-CB 4.08Å; F589-F621 HydrophobicContact CZ-CD2 4.23Å; F589-F621 HydrophobicContact CZ-CG 4.3Å; I595-F621 HydrophobicContact CB-CZ 4.24Å; I595-F621 HydrophobicContact CD1-CE2 4.25Å; I595-F621 HydrophobicContact CD1-CZ 4.25Å; I595-F621 HydrophobicContact CG2-CE1 3.52Å; I595-F621 HydrophobicContact CG2-CE2 4.35Å; I595-F621 HydrophobicContact CG2-CZ 3.39Å; V597-F621 HydrophobicContact CG2-CE2 4.18Å; V597-F621 HydrophobicContact CG2-CZ 3.61Å; W609-F621 CarbonylContact C-O 3.56Å; W609-F621 WeakPolarHBondContact CA-O 3.31Å; L610-F621 HydrophobicContact CB-CD2 4.2Å; L610-F621 HydrophobicContact CB-CE2 3.77Å; L610-F621 HydrophobicContact CB-CZ 4.04Å; L610-F621 HydrophobicContact CD1-CE2 4.07Å; L610-F621 PolarHBondContact N-O 3.43Å; L610-F621 PolarHBondContact O-N 3Å; F621-V626 HydrophobicContact CD2-CG1 3.94Å; F621-V626 HydrophobicContact CD2-CG2 4.35Å; F621-V626 HydrophobicContact CE2-CB 4.5Å; F621-V626 HydrophobicContact CE2-CG1 3.78Å; F621-V626 HydrophobicContact CE2-CG2 3.95Å
622P91.7Very high83.7Confident15 Ų1572 Ų7210%0.09737%0.374CS..EExtended strand (participates in β ladder)trans-69.2138-178.2-18.832.1000112.7F579 G608 W609 T624 Y625F579-P622 HydrophobicContact CD2-CG 4.08Å; F579-P622 VanDerWaalsContact CE2-CD 3.45Å; F579-P622 HydrophobicContact CE2-CG 3.68Å; F579-P622 HydrophobicContact CZ-CG 4.19Å; G608-P622 CarbonylContact O-C 3.56Å; G608-P622 WeakPolarHBondContact O-CA 3.47Å; W609-P622 HydrophobicContact CE3-CG 4.47Å; W609-P622 HydrophobicContact CH2-CG 4.32Å; W609-P622 HydrophobicContact CZ3-CG 4.24Å; P622-T624 PolarHBondContact O-N 3.49Å; P622-Y625 HydrophobicContact CB-CD2 3.8Å; P622-Y625 HydrophobicContact CB-CE2 4.49Å; P622-Y625 HydrophobicContact CB-CG 4.49Å; P622-Y625 HydrophobicContact CG-CD2 3.97Å; P622-Y625 HydrophobicContact CG-CE2 4.4Å; P622-Y625 PolarHBondContact O-N 3.3Å; P622-Y625 VanDerWaalsContact O-N 3.16Å
623E90.7Very high81.4Confident70 Ų7082.5 Ų82.533%0.32742%0.42SS..G310 helixtrans-59.4-32.1174.7-176.5177.6-174.300111.5G608 L610 Y625 V626 K644G608-E623 PolarHBondContact O-N 3.05Å; L610-E623 HydrophobicContact CD1-CB 4.22Å; L610-E623 HydrophobicContact CD1-CG 4.12Å; L610-E623 HydrophobicContact CG-CB 4.04Å; L610-E623 HydrophobicContact CG-CG 4.3Å; E623-Y625 PolarHBondContact O-N 2.91Å; E623-V626 WeakPolarHBondContact O-CG2 3.42Å; E623-V626 PolarHBondContact O-N 3.15Å; E623-V626 VanDerWaalsContact O-O 3.14Å; E623-K644 IonicContact OE1-NZ 2.75Å; E623-K644 PolarHBondContact OE1-NZ 3.33Å
624T90.1Very high78.8Confident103 Ų10386.4 Ų86.463%0.63244%0.441SS*.G310 helixtrans-71-12.2-179.752.60000114.6P622P622-T624 PolarHBondContact O-N 3.49Å
625Y91.9Very high76.4Confident84 Ų8490.7 Ų90.733%0.32946%0.464SS..G310 helixtrans-92.4-3179.7-84.9-112.8000113.2M576 F577 D578 F579 P622 E623M576-Y625 PolarHBondContact N-O 2.83Å; F577-Y625 HydrophobicContact CB-CD1 3.7Å; F577-Y625 HydrophobicContact CB-CE1 3.93Å; F577-Y625 HydrophobicContact CB-CG 4.48Å; D578-Y625 VanDerWaalsContact O-CE1 3.28Å; D578-Y625 WeakPolarHBondContact O-CE1 3.49Å; F579-Y625 HydrophobicContact CB-CD1 3.77Å; F579-Y625 HydrophobicContact CB-CE1 4.29Å; F579-Y625 HydrophobicContact CB-CG 4.45Å; F579-Y625 HydrophobicContact CD2-CD1 4.11Å; F579-Y625 HydrophobicContact CD2-CE1 4.18Å; F579-Y625 HydrophobicContact CD2-CG 4.42Å; F579-Y625 HydrophobicContact CG-CD1 4.34Å; P622-Y625 HydrophobicContact CB-CD2 3.8Å; P622-Y625 HydrophobicContact CB-CE2 4.49Å; P622-Y625 HydrophobicContact CB-CG 4.49Å; P622-Y625 HydrophobicContact CG-CD2 3.97Å; P622-Y625 HydrophobicContact CG-CE2 4.4Å; P622-Y625 PolarHBondContact O-N 3.3Å; P622-Y625 VanDerWaalsContact O-N 3.16Å; E623-Y625 PolarHBondContact O-N 2.91Å
626V92.2Very high74.5Confident12 Ų1289.3 Ų89.37%0.07346%0.463CS..EExtended strand (participates in β ladder)trans-135.9152.4-173.6-63.70000112.2Y573 E574 F589 I595 L610 F621 E623Y573-V626 HydrophobicContact CD1-CB 4.14Å; Y573-V626 HydrophobicContact CD1-CG2 3.67Å; Y573-V626 HydrophobicContact CE1-CG2 4.44Å; Y573-V626 HydrophobicContact CG-CG2 4.4Å; E574-V626 CarbonylContact O-C 3.38Å; E574-V626 VanDerWaalsContact O-CA 3.3Å; E574-V626 WeakPolarHBondContact O-CA 3.3Å; F589-V626 HydrophobicContact CE2-CG1 4.3Å; F589-V626 HydrophobicContact CZ-CG1 3.97Å; I595-V626 HydrophobicContact CD1-CG1 3.82Å; L610-V626 HydrophobicContact CD1-CG2 3.74Å; F621-V626 HydrophobicContact CD2-CG1 3.94Å; F621-V626 HydrophobicContact CD2-CG2 4.35Å; F621-V626 HydrophobicContact CE2-CB 4.5Å; F621-V626 HydrophobicContact CE2-CG1 3.78Å; F621-V626 HydrophobicContact CE2-CG2 3.95Å; E623-V626 WeakPolarHBondContact O-CG2 3.42Å; E623-V626 PolarHBondContact O-N 3.15Å; E623-V626 VanDerWaalsContact O-O 3.14Å
627R89.8Confident72.6Confident125 Ų12591.6 Ų91.647%0.47247%0.467SS..EExtended strand (participates in β ladder)trans-112.3145.716469.7-171.5-55.5179.87.1110.3Y573 E574 M576 K629Y573-R627 CarbonylContact C-O 3.55Å; Y573-R627 VanDerWaalsContact CA-O 3.27Å; Y573-R627 WeakPolarHBondContact CA-O 3.4Å; E574-R627 HydrophobicContact CB-CG 4.12Å; E574-R627 PolarHBondContact N-O 3.18Å; E574-R627 PolarHBondContact O-N 3.36Å; M576-R627 HydrophobicContact CG-CB 4.09Å; M576-R627 HydrophobicContact CG-CG 4.2Å; M576-R627 HydrophobicContact SD-CB 3.82Å; M576-R627 HydrophobicContact SD-CG 4.48Å; R627-K629 PolarHBondContact O-N 2.82Å
628K88Confident70.9Confident95 Ų9588 Ų8841%0.41346%0.455SS..EExtended strand (participates in β ladder)trans-64.8126.6167.5-172.7168.2-175.6158.60108.5E571 Y573E571-K628 IonicContact OE1-NZ 3.78Å; E571-K628 PolarHBondContact OE1-NZ 3.38Å; E571-K628 VanDerWaalsContact OE2-CE 3.27Å; E571-K628 WeakPolarHBondContact OE2-CE 3.38Å; E571-K628 IonicContact OE2-NZ 3.02Å; E571-K628 PolarHBondContact OE2-NZ 2.83Å; Y573-K628 HydrophobicContact CD1-CB 4.16Å; Y573-K628 HydrophobicContact CE1-CB 3.73Å; Y573-K628 HydrophobicContact CE1-CG 4.38Å; Y573-K628 HydrophobicContact CE2-CB 4.42Å; Y573-K628 HydrophobicContact CE2-CG 4.21Å
629K78.6Confident68.5Low81 Ų8189.8 Ų89.835%0.35247%0.468SS..  trans-81.2125.6178.7-169.4162.5-178.3163.40108.9L572 L594 R627L572-K629 HydrophobicContact CD2-CD 4.21Å; L572-K629 PolarHBondContact O-N 3.45Å; L594-K629 HydrophobicContact CD2-CD 3.7Å; R627-K629 PolarHBondContact O-N 2.82Å
630V66.1Low65.9Low105 Ų10598 Ų9864%0.63650%0.503SS*.  trans-126.3122.4-178.1-172.50000108.1G632V630-G632 PolarHBondContact O-N 3.24Å
631D51.2Low63.1Low164 Ų16499 Ų9988%0.87752%0.521SS*.SBendtrans-76.289.5179.9-67.8-43000110.8
632G45.6Very low60.4Low53 Ų53104.5 Ų104.555%0.54656%0.555SS.*SBendtrans179.9148.3177.200000113.5V630V630-G632 PolarHBondContact O-N 3.24Å
633K42.8Very low57.5Low222 Ų222111.9 Ų111.997%0.96559%0.587SS**  trans-62131.9179.1-67.2173.8175.51770111.1
634I37.7Very low54.7Low121 Ų121115.2 Ų115.262%0.62160%0.601SS**  trans-116.9146.5175.1-61.6177.1000109.9
635D39.1Very low51.7Low107 Ų107117.4 Ų117.457%0.57261%0.607SS**  trans-68.2135.7-169.7-163.9-38.7000113.7F637D635-F637 PolarHBondContact O-N 3.38Å; D635-F637 VanDerWaalsContact O-N 3.13Å; D635-F637 PolarHBondContact OD1-N 3.12Å; D635-F637 VanDerWaalsContact OD1-N 3.1Å
636P43.3Very low48.7Very low126 Ų126119.9 Ų119.982%0.81863%0.631SS**THydrogen-bonded Turntrans-63.2-8176-23.434.9000116.8
637F39Very low45.5Very low190 Ų190125.9 Ų125.983%0.83366%0.663SS**THydrogen-bonded Turntrans-108.77.6-175.5-79.3-84.4000116.2D635 P639D635-F637 PolarHBondContact O-N 3.38Å; D635-F637 VanDerWaalsContact O-N 3.13Å; D635-F637 PolarHBondContact OD1-N 3.12Å; D635-F637 VanDerWaalsContact OD1-N 3.1Å; F637-P639 VanDerWaalsContact O-CD 3.22Å; F637-P639 WeakPolarHBondContact O-CD 3.4Å
638D46.7Very low42.5Very low77 Ų77124.5 Ų124.541%0.41267%0.668SS.*  trans-106.892.8169.3-177.83.6000111.7F640 G641D638-F640 PolarHBondContact O-N 3.4Å; D638-F640 PolarHBondContact OD1-N 2.79Å; D638-G641 VanDerWaalsContact CG-N 3.32Å; D638-G641 PolarHBondContact OD1-N 3.12Å; D638-G641 VanDerWaalsContact OD2-CA 3.27Å; D638-G641 WeakPolarHBondContact OD2-CA 3.17Å; D638-G641 PolarHBondContact OD2-N 3.46Å
639P39Very low39.5Very low106 Ų106125.6 Ų125.669%0.68869%0.686SS**SBendtrans-77.11.3-179.630.4-34.4000114.6F637F637-P639 VanDerWaalsContact O-CD 3.22Å; F637-P639 WeakPolarHBondContact O-CD 3.4Å
640F35.4Very low36.9Very low173 Ų173125.7 Ų125.776%0.75969%0.694SS**SBendtrans-129.1-22.7-175.6-65.6-69.5000115.4D638 V642D638-F640 PolarHBondContact O-N 3.4Å; D638-F640 PolarHBondContact OD1-N 2.79Å; F640-V642 HydrophobicContact CB-CG2 3.98Å; F640-V642 WeakPolarHBondContact O-CG2 3.29Å; F640-V642 PolarHBondContact O-N 3.47Å
641G33.4Very low35.2Very low51 Ų51126 Ų12653%0.52670%0.701SS.*  trans64.622.1170.100000115.3D638 H643D638-G641 VanDerWaalsContact CG-N 3.32Å; D638-G641 PolarHBondContact OD1-N 3.12Å; D638-G641 VanDerWaalsContact OD2-CA 3.27Å; D638-G641 WeakPolarHBondContact OD2-CA 3.17Å; D638-G641 PolarHBondContact OD2-N 3.46Å; G641-H643 PolarHBondContact O-N 3.22Å
642V36.2Very low34Very low115 Ų115123.9 Ų123.970%0.69770%0.698SS**  trans-87.572.7-169.5-166.80000111.9F640F640-V642 HydrophobicContact CB-CG2 3.98Å; F640-V642 WeakPolarHBondContact O-CG2 3.29Å; F640-V642 PolarHBondContact O-N 3.47Å
643H30.1Very low33.5Very low170 Ų170128.8 Ų128.879%0.78771%0.711SS**  trans-119.277.9162.8-83.8-48.4000111.9G641G641-H643 PolarHBondContact O-N 3.22Å
644K32.8Very low32.8Very low140 Ų140125.9 Ų125.961%0.60970%0.702SS**  trans-124.192.7155.3-89.1179.9170.1173.50106.1E623E623-K644 IonicContact OE1-NZ 2.75Å; E623-K644 PolarHBondContact OE1-NZ 3.33Å
645I27.5Very low32.4Very low148 Ų148127.2 Ų127.276%0.75971%0.708SS**  53.996.282.9-52.8173.6000112.1
646T27.3Very low32Very low136 Ų136127.2 Ų127.283%0.83471%0.712SS**  trans-135.443.616348.10000112T648T646-T648 PolarHBondContact O-N 3.48Å
647N26.3Very low31.3Very low139 Ų139127.1 Ų127.174%0.74371%0.709SS**  trans-70.7117151.8-82.2-15000106.9
648T26.1Very low30.8Very low96 Ų96123.5 Ų123.559%0.58970%0.703SS**  5984.486.3-48.90000112T646 V650T646-T648 PolarHBondContact O-N 3.48Å; T648-V650 HydrophobicContact CG2-CG2 3.5Å; T648-V650 PolarHBondContact O-N 3.27Å
649C25Very low29.9Very low117 Ų117125.6 Ų125.679%0.79172%0.719SS**SBendtrans-76.163169.4-66.90000112.1Q1372C649-Q1372 WeakPolarHBondContact O-CG 3.5Å; C649-Q1372 PolarHBondContact O-NE2 3.18Å
650V25.1Very low29.4Very low83 Ų83127.3 Ų127.350%0.50372%0.72SS.*  trans-120.795.4147.3-96.30000107.2T648 Q1372T648-V650 HydrophobicContact CG2-CG2 3.5Å; T648-V650 PolarHBondContact O-N 3.27Å; V650-Q1372 HydrophobicContact CG1-CB 4.29Å; V650-Q1372 HydrophobicContact CG1-CG 3.81Å
651S29.1Very low29.1Very low113 Ų113125 Ų12579%0.7972%0.722SS**  trans-164.4118.3166.6-86.30000112.7
652S27.9Very low28.8Very low118 Ų118128.5 Ų128.583%0.82573%0.734SS**  trans-160.3142.2147.5-83.40000108.1
653I33.3Very low28.2Very low156 Ų156128.9 Ų128.980%0.874%0.737SS**  trans97.182.4-163.8-57.1163.7000109.6
654M29.6Very low28.1Very low161 Ų161128.5 Ų128.579%0.79374%0.739SS**  75.6139.684.8-73.6-166.1-168.700111.9
655M28.8Very low27.7Very low150 Ų150128.5 Ų128.574%0.73975%0.746SS**  cis-165.61803.6-115-77.7-173.800109.9
656T30Very low27.6Very low106 Ų106127.5 Ų127.565%0.6575%0.747SS**  trans69.3108.1154.151.30000121.2
657T28.7Very low27.7Very low125 Ų125126.2 Ų126.277%0.76774%0.74SS**  59.6148.6123.662.40000121.2
658T28.4Very low27.6Very low113 Ų113126.5 Ų126.569%0.69374%0.742SS**  cis-170.1120.1-9-91.40000107.7
659T27.6Very low27.7Very low122 Ų122127 Ų12775%0.74875%0.745SS**  trans53.3143.7141-26.80000123.6
660I29.4Very low27.8Very low141 Ų141130.7 Ų130.772%0.72375%0.748SS**  trans99.4115.5155.2-49.6-179.2000117
661P27.9Very low28.1Very low124 Ų124131.5 Ų131.581%0.80576%0.758SS**  trans-101.1132.8167.336-27.4000112.6
662T27.5Very low28Very low126 Ų126130.4 Ų130.477%0.77376%0.756SS**  trans-150.7139.6159.4-36.30000111.7
663T24.6Very low28.1Very low123 Ų123131.6 Ų131.676%0.75575%0.751SS**  trans-30.6133.8157-38.40000114.6
664I27.6Very low27.8Very low162 Ų162130.5 Ų130.583%0.83175%0.747SS**  trans179.3149.7140.5-95.9152.8000111.3
665N24.9Very low27.6Very low140 Ų140127.5 Ų127.575%0.74974%0.738SS**  trans-69.7155.7177.3-54.2-52.1000113.2
666T24.1Very low27.6Very low127 Ų127126.8 Ų126.878%0.77974%0.737SS**  trans20142143.559.50000119.9
667P29.6Very low27.4Very low108 Ų108128.4 Ų128.470%0.70174%0.741SS**  cis-156177.548.242.7-21.3000118.9
668N25.6Very low27.4Very low145 Ų145127.3 Ų127.378%0.77574%0.739SS**  trans22.2139.5141.4-55.1-14.6000122
669T27.6Very low27.2Very low108 Ų108129.2 Ų129.266%0.66374%0.744SS**  143.4120.7107-24.20000106.8
670F27.5Very low27.2Very low193 Ų193130.2 Ų130.285%0.84675%0.75SS**  cis-155.5162.436.7-81.5-91.3000106.6
671S29.7Very low27Very low101 Ų101132 Ų13271%0.70676%0.756SS**  cis-166.9145.65.9350000110.4
672A28.2Very low27Very low90 Ų90131.4 Ų131.474%0.74475%0.752SS**  trans63.3133.8155.800000119.6
673I29Very low26.8Very low142 Ų142129.3 Ų129.373%0.72875%0.747SS**  cis-152.2133.6-1.3-111.7160.1000108.1
674N26.7Very low26.8Very low133 Ų133130.4 Ų130.471%0.71175%0.748SS**  trans47.5146.3146.1-57.2-1.6000121.7
675T27.2Very low26.8Very low99 Ų99128.4 Ų128.461%0.60774%0.739SS**  cis-178.5144.8-11.628.90000105.9
676N27.6Very low26.8Very low134 Ų134127.8 Ų127.872%0.71774%0.736SS**  trans58.1155.7140.6-54.8-5.1000118.2
677N27.1Very low26.9Very low140 Ų140129.4 Ų129.475%0.74974%0.739SS**  cis-164.7166.1-5.9-118.5-6.5000108.1
678S27.4Very low26.8Very low102 Ų102130.7 Ų130.771%0.71375%0.745SS**  trans56.3146.9143.1-156.80000122.1
679L24.8Very low27Very low153 Ų153127.5 Ų127.580%0.80174%0.738SS**  trans-61140.8153.7-58.984.6000110.3
680T27.8Very low27Very low143 Ų143126.9 Ų126.988%0.87774%0.738SS**  trans160.2150.8140.133.80000111
681E24.2Very low27Very low179 Ų179125.3 Ų125.384%0.83673%0.734SS**  trans-69.6-178.3166.2-45.4-174137.300110.6
682P27.7Very low27.2Very low112 Ų112125.1 Ų125.173%0.72773%0.728SS**  cis-141.2-171.53.442-21.5000115.8
683A24.2Very low27.4Very low81 Ų81126.6 Ų126.667%0.66973%0.728SS**  trans48.2135.4143.300000123
684N24.4Very low27.5Very low146 Ų146124.9 Ų124.978%0.78173%0.726SS**  trans46.4124.5139.2-76.228.5000119.4
685D27.8Very low27.4Very low121 Ų121124.8 Ų124.865%0.64773%0.731SS**  -172.5141.356.4-108.7-15.9000113.4
686N25.7Very low27.7Very low127 Ų127125.9 Ų125.968%0.67974%0.737SS**  trans54.6167.5132.1-61.9-38.4000124.3
687L25.9Very low27.9Very low160 Ų160128.2 Ų128.284%0.83874%0.741SS**  trans68.6133.3170.4-87.576.1000115.6
688V27.8Very low27.9Very low136 Ų136128.4 Ų128.482%0.82474%0.742SS**  cis-157.1167.2-12.8-127.10000106.1
689A28.1Very low28Very low77 Ų77129.5 Ų129.564%0.63674%0.739SS**  cis-155.1-171.34.100000110.8
690S27.5Very low28Very low95 Ų95128.5 Ų128.566%0.66474%0.735SS**  trans23.2139.7137.4-57.60000122.2
691E28.6Very low28Very low160 Ų160129.5 Ų129.575%0.74873%0.733SS**  cis-172169.30.5-110.7160-103.800106.9
692T33.4Very low28.1Very low97 Ų97126.4 Ų126.460%0.59573%0.726SS**  cis-159142.48.37.40000110.5
693T32.3Very low28Very low122 Ų122131 Ų13175%0.74874%0.735SS**  trans73.1155.3138.663.20000123.3
694P30.5Very low28.2Very low105 Ų105131.4 Ų131.468%0.68273%0.731SS**  cis-135.9133.6-43.436.7-20.2000113.4
695T25.7Very low28.3Very low132 Ų132132.2 Ų132.281%0.8174%0.736SS**  7010291.5-41.30000117.5
696T33.1Very low28.4Very low121 Ų121132 Ų13274%0.74274%0.735SS**  trans-164.112413890000113.3
697K31.5Very low29.1Very low184 Ų184130.8 Ų130.880%0.873%0.728SS**  trans37.5138.3132.6-57.6176.4-171.2178.50119.1
698L27.7Very low30.2Very low144 Ų144128.9 Ų128.975%0.75471%0.713SS**  cis-160135.427.9-159.182.6000111.7
699N28.7Very low31.5Very low124 Ų124128.4 Ų128.466%0.66370%0.697SS**  trans21.8139.5147.3-64.240.9000123.6
700D25.4Very low33.1Very low133 Ų133124.9 Ų124.971%0.71167%0.669SS**  trans47.8107.8133-46.8-33.2000118.7
701I28.5Very low34.8Very low164 Ų164126.3 Ų126.384%0.84167%0.665SS**  -155.7122.8119.1-89.8135.5000108
702T25.1Very low36.6Very low113 Ų113118.8 Ų118.869%0.69363%0.63SS**  trans-22.4129.6159.4-35.50000113.7P704T702-P704 WeakPolarHBondContact O-CD 3.35Å; T702-P704 VanDerWaalsContact O-N 3.16Å
703F25.7Very low37.9Very low209 Ų209118.1 Ų118.192%0.91762%0.62SS**  trans-66.2107.1149.9-90.2-74.1000106.4
704P28.3Very low39.1Very low89 Ų89119.9 Ų119.958%0.57862%0.62SS**  trans-69.7142.3-179.3-8.326.9000107.9T702 N706T702-P704 WeakPolarHBondContact O-CD 3.35Å; T702-P704 VanDerWaalsContact O-N 3.16Å; P704-N706 PolarHBondContact O-N 3.01Å
705N27.1Very low40.2Very low164 Ų164118.1 Ų118.188%0.87761%0.605SS**SBendtrans-37.7104.1175.4-67.9-23.4000112.1
706N29.9Very low41.8Very low117 Ų117115 Ų11563%0.62658%0.578SS**  trans-16182.4171.4-95.1-31.5000106.5P704 F708P704-N706 PolarHBondContact O-N 3.01Å; N706-F708 PolarHBondContact O-N 2.65Å; N706-F708 VanDerWaalsContact O-N 3.07Å
707D39.7Very low42.7Very low100 Ų100113 Ų11354%0.53556%0.563SS.*  trans-51.4116.1169.8-69.7-74.5000109.2Y709D707-Y709 HydrophobicContact CB-CD2 3.64Å; D707-Y709 HydrophobicContact CB-CE2 3.25Å; D707-Y709 WeakPolarHBondContact O-CD2 3.44Å; D707-Y709 PolarHBondContact O-N 2.74Å
708F49.6Very low43.7Very low120 Ų120106.8 Ų106.853%0.52654%0.54SS..  trans-79.475.3-176.8-125-86.7000109.9N706 G710 I745N706-F708 PolarHBondContact O-N 2.65Å; N706-F708 VanDerWaalsContact O-N 3.07Å; F708-G710 PolarHBondContact O-N 3.08Å; F708-I745 HydrophobicContact CD1-CD1 4.39Å; F708-I745 PolarHBondContact O-N 2.83Å
709Y55.7Low44.6Very low126 Ų126103.5 Ų103.549%0.49453%0.529SS..EExtended strand (participates in β ladder)trans-72.4117169.2-68.2-73.7000109.7D707 V743 K744D707-Y709 HydrophobicContact CB-CD2 3.64Å; D707-Y709 HydrophobicContact CB-CE2 3.25Å; D707-Y709 WeakPolarHBondContact O-CD2 3.44Å; D707-Y709 PolarHBondContact O-N 2.74Å; Y709-V743 WeakPolarHBondContact CA-O 3.15Å; Y709-K744 HydrophobicContact CD1-CB 4.23Å; Y709-K744 HydrophobicContact CE1-CB 4.09Å; Y709-K744 HydrophobicContact CE1-CD 4.5Å
710G60.9Low45.4Very low4 Ų4102.1 Ų102.14%0.04152%0.52CS..EExtended strand (participates in β ladder)trans-86.9131.116600000110.7F708 V743F708-G710 PolarHBondContact O-N 3.08Å; G710-V743 PolarHBondContact N-O 2.94Å; G710-V743 PolarHBondContact O-N 2.86Å
711E63.5Low46.4Very low124 Ų124100.9 Ų100.958%0.57952%0.521SS*.EExtended strand (participates in β ladder)trans-95.1124171.9-163.7173-126.100108.8Q713E711-Q713 PolarHBondContact O-N 3.35Å
712V67.1Low47.5Very low3 Ų397.8 Ų97.82%0.01851%0.511CS..BIsolated β-bridgetrans-75.3120-174.1179.20000110Q714 L737 T738 D741 V743 L777V712-Q714 WeakPolarHBondContact CG1-O 3.26Å; V712-L737 HydrophobicContact CG1-CB 4.12Å; V712-L737 HydrophobicContact CG2-CB 4.06Å; V712-L737 HydrophobicContact CG2-CD1 3.91Å; V712-L737 HydrophobicContact CG2-CG 3.74Å; V712-T738 WeakPolarHBondContact CB-O 3.39Å; V712-T738 VanDerWaalsContact CG1-O 3.27Å; V712-T738 WeakPolarHBondContact CG1-O 3.4Å; V712-T738 WeakPolarHBondContact CG2-O 3.44Å; V712-D741 HydrophobicContact CG2-CB 4.4Å; V712-D741 WeakPolarHBondContact CG2-O 3.4Å; V712-V743 HydrophobicContact CG2-CG2 3.73Å; V712-L777 HydrophobicContact CG2-CD2 4.05Å
713Q59.4Low49Very low83 Ų8393.5 Ų93.539%0.38848%0.483SS..  trans-82.4-27.2-170.2-81.1-81.2-79.900114.9E711 C776 K778E711-Q713 PolarHBondContact O-N 3.35Å; Q713-C776 PolarHBondContact N-O 2.85Å; Q713-K778 VanDerWaalsContact CD-CD 3.46Å; Q713-K778 HydrophobicContact CG-CB 3.72Å; Q713-K778 HydrophobicContact CG-CD 4.12Å; Q713-K778 HydrophobicContact CG-CG 3.8Å; Q713-K778 VanDerWaalsContact OE1-CD 3.31Å
714Q57.8Low50.6Low159 Ų15985.6 Ų85.674%0.74345%0.452SS*.SBendtrans-150.7146.1-174.7-66.6-174.1-8.300108.9V712 W716V712-Q714 WeakPolarHBondContact CG1-O 3.26Å; Q714-W716 PolarHBondContact O-N 2.94Å
715N54Low52.1Low67 Ų6782.5 Ų82.536%0.35843%0.43SS..  trans-64.7107.4-178.7-132.836.7000109.4N717 T738 V739N715-N717 PolarHBondContact O-N 3.11Å; N715-T738 WeakPolarHBondContact OD1-CA 3.44Å; N715-V739 HydrophobicContact CB-CG2 3.99Å; N715-V739 VanDerWaalsContact N-CG2 3.31Å; N715-V739 PolarHBondContact OD1-N 2.87Å; N715-V739 VanDerWaalsContact OD1-N 3.13Å
716W58.5Low53.8Low68 Ų6875.5 Ų75.526%0.25839%0.394SS..  trans-84.769.9-177.5-174.9-97.1000110.6Q714 V718 I723 F734 L737 P773Q714-W716 PolarHBondContact O-N 2.94Å; W716-V718 HydrophobicContact CD2-CB 4.49Å; W716-V718 HydrophobicContact CD2-CG2 3.89Å; W716-V718 HydrophobicContact CE3-CG2 3.96Å; W716-V718 HydrophobicContact CH2-CG2 3.9Å; W716-V718 HydrophobicContact CZ2-CB 3.98Å; W716-V718 HydrophobicContact CZ2-CG1 4.44Å; W716-V718 HydrophobicContact CZ2-CG2 3.79Å; W716-V718 HydrophobicContact CZ3-CG2 3.97Å; W716-V718 PolarHBondContact O-N 2.88Å; W716-I723 HydrophobicContact CZ2-CD1 3.82Å; W716-I723 HydrophobicContact CZ2-CG1 4.11Å; W716-F734 AromaticContact NE1-CZ 3.54Å; W716-L737 HydrophobicContact CB-CB 4.33Å; W716-L737 PolarHBondContact N-O 2.96Å; W716-P773 HydrophobicContact CH2-CG 4.41Å; W716-P773 HydrophobicContact CZ2-CG 3.89Å
717N53.3Low55.2Low79 Ų7973.1 Ų73.142%0.42238%0.379SS..  trans-98.159.5178.8-131.426.3000110.2E434 N715E434-N717 PolarHBondContact OE2-ND2 3.41Å; N715-N717 PolarHBondContact O-N 3.11Å
718V51Low56.6Low53 Ų5372.9 Ų72.932%0.32138%0.378SS..  trans-101.7119.6-178.4-176.40000110.2W716 M720 T722 I723W716-V718 HydrophobicContact CD2-CB 4.49Å; W716-V718 HydrophobicContact CD2-CG2 3.89Å; W716-V718 HydrophobicContact CE3-CG2 3.96Å; W716-V718 HydrophobicContact CH2-CG2 3.9Å; W716-V718 HydrophobicContact CZ2-CB 3.98Å; W716-V718 HydrophobicContact CZ2-CG1 4.44Å; W716-V718 HydrophobicContact CZ2-CG2 3.79Å; W716-V718 HydrophobicContact CZ3-CG2 3.97Å; W716-V718 PolarHBondContact O-N 2.88Å; V718-M720 PolarHBondContact O-N 3.04Å; V718-T722 HydrophobicContact CG1-CG2 4.45Å; V718-I723 HydrophobicContact CB-CD1 4.03Å; V718-I723 HydrophobicContact CB-CG1 4.11Å; V718-I723 HydrophobicContact CG1-CD1 4.1Å; V718-I723 HydrophobicContact CG1-CG1 3.6Å
719S48.4Very low57.5Low75 Ų7567.7 Ų67.752%0.52436%0.355SS..  trans-53.7137.4175.1178.30000111.8S721 T722S719-S721 WeakPolarHBondContact CB-OG 3.43Å; S719-S721 PolarHBondContact O-N 2.96Å; S719-S721 PolarHBondContact OG-N 2.88Å; S719-S721 PolarHBondContact OG-OG 2.86Å; S719-T722 PolarHBondContact O-N 3.31Å
720M44.6Very low58.2Low95 Ų9566.5 Ų66.547%0.46836%0.357SS..THydrogen-bonded Turntrans-53.2-23.6175.3-82.2-95.8-81.800113.8V718 T722 L725 T731V718-M720 PolarHBondContact O-N 3.04Å; M720-T722 PolarHBondContact O-N 3Å; M720-L725 HydrophobicContact SD-CD1 4.47Å; M720-T731 HydrophobicContact CE-CG2 3.62Å
721S46.4Very low58.2Low106 Ų10670.9 Ų70.974%0.74138%0.383SS*.THydrogen-bonded Turntrans-64.2-13172.8590000114.9S719S719-S721 WeakPolarHBondContact CB-OG 3.43Å; S719-S721 PolarHBondContact O-N 2.96Å; S719-S721 PolarHBondContact OG-N 2.88Å; S719-S721 PolarHBondContact OG-OG 2.86Å
722T50.6Low58.6Low100 Ų10071.1 Ų71.161%0.61339%0.388SS*.THydrogen-bonded Turntrans-118-17.3-170.4-41.60000112.9V718 S719 M720V718-T722 HydrophobicContact CG1-CG2 4.45Å; S719-T722 PolarHBondContact O-N 3.31Å; M720-T722 PolarHBondContact O-N 3Å
723I58.4Low59Low23 Ų2374.2 Ų74.212%0.11840%0.402CS..  trans-88.1140.2-176.4-57.3179.8000111.4W716 V718 F734 W755W716-I723 HydrophobicContact CZ2-CD1 3.82Å; W716-I723 HydrophobicContact CZ2-CG1 4.11Å; V718-I723 HydrophobicContact CB-CD1 4.03Å; V718-I723 HydrophobicContact CB-CG1 4.11Å; V718-I723 HydrophobicContact CG1-CD1 4.1Å; V718-I723 HydrophobicContact CG1-CG1 3.6Å; I723-F734 HydrophobicContact CD1-CE1 4.34Å; I723-F734 HydrophobicContact CD1-CE2 3.98Å; I723-F734 HydrophobicContact CD1-CZ 3.63Å; I723-F734 HydrophobicContact CG2-CE2 4.49Å; I723-W755 HydrophobicContact CG2-CH2 3.76Å; I723-W755 HydrophobicContact CG2-CZ2 4.04Å
724T59.4Low59.9Low43 Ų4372 Ų7226%0.26439%0.392SS..  trans-102.282.4-179.3-22.20000109.3Y1266 Q1270T724-Y1266 WeakPolarHBondContact CA-OH 3.43Å; T724-Y1266 HydrophobicContact CG2-CD2 4.49Å; T724-Y1266 HydrophobicContact CG2-CE2 3.36Å; T724-Y1266 VanDerWaalsContact CG2-OH 3.32Å; T724-Y1266 WeakPolarHBondContact CG2-OH 3.45Å; T724-Y1266 PolarHBondContact O-OH 3.01Å; T724-Q1270 VanDerWaalsContact CB-NE2 3.34Å; T724-Q1270 HydrophobicContact CG2-CG 3.85Å; T724-Q1270 VanDerWaalsContact CG2-OE1 3.26Å; T724-Q1270 PolarHBondContact O-NE2 2.91Å
725L59.7Low60.9Low23 Ų2364.7 Ų64.712%0.1236%0.358CS..  trans-63.1131.7179.2-70.5164.2000115.5M720 I729 T731 F734 W755 Y1266M720-L725 HydrophobicContact SD-CD1 4.47Å; L725-I729 HydrophobicContact CD2-CG2 3.95Å; L725-T731 HydrophobicContact CD1-CG2 3.83Å; L725-F734 HydrophobicContact CD2-CD2 3.92Å; L725-F734 HydrophobicContact CD2-CE2 4.4Å; L725-W755 HydrophobicContact CD2-CH2 3.65Å; L725-W755 HydrophobicContact CD2-CZ3 4Å; L725-W755 HydrophobicContact CG-CH2 4.5Å; L725-Y1266 VanDerWaalsContact C-OH 3.23Å; L725-Y1266 PolarHBondContact N-OH 3.43Å; L725-Y1266 WeakPolarHBondContact O-CE1 3.49Å; L725-Y1266 PolarHBondContact O-OH 3.38Å
726P62.9Low61.8Low17 Ų1765.2 Ų65.211%0.1136%0.363CS..  trans-57.4150.9169.8-29.134.7000114.1N728 I729 W755P726-N728 PolarHBondContact O-N 3.02Å; P726-I729 HydrophobicContact CB-CD1 4.07Å; P726-I729 HydrophobicContact CB-CG1 4.36Å; P726-I729 HydrophobicContact CG-CD1 3.88Å; P726-I729 PolarHBondContact O-N 3.42Å; P726-W755 VanDerWaalsContact CD-CZ2 3.46Å; P726-W755 VanDerWaalsContact CG-CD1 3.44Å; P726-W755 HydrophobicContact CG-CD2 3.94Å; P726-W755 HydrophobicContact CG-CG 3.79Å; P726-W755 HydrophobicContact CG-CZ2 4.43Å
727E58.2Low62.6Low68 Ų6862 Ų6232%0.31835%0.351SS..THydrogen-bonded Turntrans-53-30.8-178-62.2-148.6-163.300114.2I729 M1190 R1267E727-I729 VanDerWaalsContact C-N 3.3Å; E727-I729 PolarHBondContact O-N 2.88Å; E727-M1190 WeakPolarHBondContact OE1-CE 3.18Å; E727-R1267 HydrophobicContact CB-CG 4.45Å; E727-R1267 HydrophobicContact CG-CB 3.83Å; E727-R1267 HydrophobicContact CG-CG 3.74Å; E727-R1267 PolarHBondContact O-NH2 2.91Å; E727-R1267 VanDerWaalsContact OE2-CD 3.32Å; E727-R1267 WeakPolarHBondContact OE2-CD 3.18Å; E727-R1267 IonicContact OE2-CZ 3.75Å; E727-R1267 IonicContact OE2-NE 3.22Å; E727-R1267 IonicContact OE2-NH1 2.63Å; E727-R1267 PolarHBondContact OE2-NH1 2.85Å
728N68.4Low63.5Low94 Ų9459.6 Ų59.650%0.50334%0.34SS..THydrogen-bonded Turntrans-82.7-4.4-172.8-48.52.4000113.3P726 N751P726-N728 PolarHBondContact O-N 3.02Å; N728-N751 PolarHBondContact ND2-ND2 3.36Å
729I69Low64.4Low11 Ų1160.3 Ų60.36%0.05634%0.344CS..  trans-113.7119.1-171.3-63.1175.8000108.6L725 P726 E727 W755 W771L725-I729 HydrophobicContact CD2-CG2 3.95Å; P726-I729 HydrophobicContact CB-CD1 4.07Å; P726-I729 HydrophobicContact CB-CG1 4.36Å; P726-I729 HydrophobicContact CG-CD1 3.88Å; P726-I729 PolarHBondContact O-N 3.42Å; E727-I729 VanDerWaalsContact C-N 3.3Å; E727-I729 PolarHBondContact O-N 2.88Å; I729-W755 HydrophobicContact CD1-CB 4.37Å; I729-W755 HydrophobicContact CD1-CD2 4.06Å; I729-W755 HydrophobicContact CD1-CE3 3.83Å; I729-W755 HydrophobicContact CD1-CG 4.29Å; I729-W755 HydrophobicContact CD1-CZ3 4.45Å; I729-W771 HydrophobicContact CB-CG 4.42Å; I729-W771 HydrophobicContact CD1-CB 3.76Å; I729-W771 HydrophobicContact CD1-CD2 3.5Å; I729-W771 VanDerWaalsContact CD1-CD2 3.5Å; I729-W771 HydrophobicContact CD1-CE3 3.88Å; I729-W771 HydrophobicContact CD1-CG 3.45Å; I729-W771 VanDerWaalsContact CD1-CG 3.45Å; I729-W771 HydrophobicContact CG1-CB 4.35Å; I729-W771 HydrophobicContact CG1-CD2 3.86Å; I729-W771 HydrophobicContact CG1-CG 3.71Å; I729-W771 HydrophobicContact CG2-CB 3.92Å; I729-W771 HydrophobicContact CG2-CG 3.87Å
730L70.8Confident65.5Low101 Ų10163 Ų6353%0.52935%0.352SS..  trans-79.7152.9175.1-65.7170.4000110.7D732 Q733L730-D732 WeakPolarHBondContact CB-OD1 3.36Å; L730-D732 PolarHBondContact O-N 3.35Å; L730-Q733 HydrophobicContact CB-CG 4.19Å; L730-Q733 PolarHBondContact O-N 3.02Å
731T61Low67Low96 Ų9659.7 Ų59.759%0.58934%0.337SS*.THydrogen-bonded Turntrans-65-17-17635.70000114.8M720 L725M720-T731 HydrophobicContact CE-CG2 3.62Å; L725-T731 HydrophobicContact CD1-CG2 3.83Å
732D71.6Confident68.2Low129 Ų12960.6 Ų60.669%0.6933%0.329SS*.THydrogen-bonded Turntrans-90.6-10.3174.859.2-16.1000113.3L730L730-D732 WeakPolarHBondContact CB-OD1 3.36Å; L730-D732 PolarHBondContact O-N 3.35Å
733Q75.9Confident69.6Low68 Ų6855.8 Ų55.832%0.31830%0.299SS..SBendtrans-96.422.5178.8-59.8-178.76.100113.1L730 G770 W771L730-Q733 HydrophobicContact CB-CG 4.19Å; L730-Q733 PolarHBondContact O-N 3.02Å; Q733-G770 CarbonylContact O-C 3.59Å; Q733-G770 VanDerWaalsContact O-CA 3.25Å; Q733-G770 WeakPolarHBondContact O-CA 3.45Å; Q733-W771 PolarHBondContact O-N 3.32Å
734F77.3Confident70.7Confident38 Ų3857.9 Ų57.917%0.16731%0.307CS..BIsolated β-bridgetrans-91137.4-178.2-165.2-91.3000111.8W716 I723 L725 W755W716-F734 AromaticContact NE1-CZ 3.54Å; I723-F734 HydrophobicContact CD1-CE1 4.34Å; I723-F734 HydrophobicContact CD1-CE2 3.98Å; I723-F734 HydrophobicContact CD1-CZ 3.63Å; I723-F734 HydrophobicContact CG2-CE2 4.49Å; L725-F734 HydrophobicContact CD2-CD2 3.92Å; L725-F734 HydrophobicContact CD2-CE2 4.4Å; F734-W755 HydrophobicContact CD2-CH2 4.36Å; F734-W755 HydrophobicContact CD2-CZ3 4.01Å; F734-W755 AromaticContact CE2-CH2 3.78Å; F734-W755 HydrophobicContact CE2-CH2 3.78Å; F734-W755 AromaticContact CE2-CZ3 3.61Å; F734-W755 HydrophobicContact CE2-CZ3 3.61Å
735L80.1Confident71.7Confident5 Ų557.9 Ų57.93%0.02631%0.305CS..  trans-104.7115.7176.7-158.459.8000110.8L737 V743 G758 I760 N768 W771 F772L735-L737 HydrophobicContact CB-CD2 4.04Å; L735-L737 HydrophobicContact CD2-CD2 3.88Å; L735-L737 HydrophobicContact CG-CD2 3.69Å; L735-V743 HydrophobicContact CD2-CG1 4.45Å; L735-G758 WeakPolarHBondContact CD2-O 3.4Å; L735-I760 HydrophobicContact CD1-CD1 3.94Å; L735-I760 HydrophobicContact CD1-CG1 4.03Å; L735-I760 HydrophobicContact CD2-CG2 4.13Å; L735-I760 HydrophobicContact CG-CD1 4.26Å; L735-N768 HydrophobicContact CD1-CB 4Å; L735-W771 PolarHBondContact N-O 2.77Å; L735-F772 HydrophobicContact CB-CB 4.35Å; L735-F772 HydrophobicContact CB-CD1 4.19Å; L735-F772 HydrophobicContact CD2-CD1 3.92Å; L735-F772 HydrophobicContact CD2-CE1 4.32Å
736T73.3Confident72.7Confident77 Ų7759.7 Ų59.747%0.47232%0.318SS..  trans-75.9129.9171.5-55.60000109.3
737L74.3Confident73.4Confident1 Ų165.5 Ų65.51%0.00534%0.341CS..  trans-119114.3-175.6-98.8173.7000109.9V712 W716 L735 V743 I760 F772 C776 L777V712-L737 HydrophobicContact CG1-CB 4.12Å; V712-L737 HydrophobicContact CG2-CB 4.06Å; V712-L737 HydrophobicContact CG2-CD1 3.91Å; V712-L737 HydrophobicContact CG2-CG 3.74Å; W716-L737 HydrophobicContact CB-CB 4.33Å; W716-L737 PolarHBondContact N-O 2.96Å; L735-L737 HydrophobicContact CB-CD2 4.04Å; L735-L737 HydrophobicContact CD2-CD2 3.88Å; L735-L737 HydrophobicContact CG-CD2 3.69Å; L737-V743 HydrophobicContact CD1-CG2 3.91Å; L737-V743 HydrophobicContact CD2-CG2 3.94Å; L737-V743 HydrophobicContact CG-CG2 3.7Å; L737-I760 HydrophobicContact CD2-CG2 4.5Å; L737-F772 HydrophobicContact CD1-CB 3.94Å; L737-F772 HydrophobicContact CD1-CD1 4.33Å; L737-F772 HydrophobicContact CD1-CD2 3.46Å; L737-F772 VanDerWaalsContact CD1-CD2 3.46Å; L737-F772 HydrophobicContact CD1-CE2 4.07Å; L737-F772 HydrophobicContact CD1-CG 3.62Å; L737-F772 HydrophobicContact CD2-CB 4.13Å; L737-F772 HydrophobicContact CD2-CD1 4.19Å; L737-F772 HydrophobicContact CD2-CG 4.07Å; L737-C776 HydrophobicContact CD1-CB 3.71Å; L737-L777 HydrophobicContact CD1-CD2 4.42Å
738T71.7Confident74.5Confident29 Ų2966 Ų6618%0.17834%0.343CS..  trans-91.4160.6166.972.40000110.5V712 N715 D740 D741V712-T738 WeakPolarHBondContact CB-O 3.39Å; V712-T738 VanDerWaalsContact CG1-O 3.27Å; V712-T738 WeakPolarHBondContact CG1-O 3.4Å; V712-T738 WeakPolarHBondContact CG2-O 3.44Å; N715-T738 WeakPolarHBondContact OD1-CA 3.44Å; T738-D740 PolarHBondContact O-N 2.82Å; T738-D740 VanDerWaalsContact O-N 3.12Å; T738-D741 WeakPolarHBondContact CA-OD2 3.47Å; T738-D741 VanDerWaalsContact CB-OD2 3.32Å; T738-D741 WeakPolarHBondContact CB-OD2 3.32Å; T738-D741 PolarHBondContact N-OD2 2.86Å; T738-D741 PolarHBondContact O-N 3.39Å; T738-D741 VanDerWaalsContact O-N 3.12Å; T738-D741 VanDerWaalsContact OG1-CG 3.23Å; T738-D741 PolarHBondContact OG1-OD2 2.89Å
739V70.8Confident74.8Confident67 Ų6761.8 Ų61.841%0.40632%0.321SS..THydrogen-bonded Turntrans-58.1-25.5179.9178.40000112.8N715N715-V739 HydrophobicContact CB-CG2 3.99Å; N715-V739 VanDerWaalsContact N-CG2 3.31Å; N715-V739 PolarHBondContact OD1-N 2.87Å; N715-V739 VanDerWaalsContact OD1-N 3.13Å
740D71.1Confident74.9Confident131 Ų13168.3 Ų68.370%0.70136%0.356SS*.THydrogen-bonded Turntrans-90.7-4.2-176.8-52.7-43000113.2T738T738-D740 PolarHBondContact O-N 2.82Å; T738-D740 VanDerWaalsContact O-N 3.12Å
741D76Confident74.4Confident27 Ų2769.1 Ų69.114%0.14436%0.361CS..  trans-80.8123.7-177.1-72.4-51.8000112.6V712 T738 V743 I760V712-D741 HydrophobicContact CG2-CB 4.4Å; V712-D741 WeakPolarHBondContact CG2-O 3.4Å; T738-D741 WeakPolarHBondContact CA-OD2 3.47Å; T738-D741 VanDerWaalsContact CB-OD2 3.32Å; T738-D741 WeakPolarHBondContact CB-OD2 3.32Å; T738-D741 PolarHBondContact N-OD2 2.86Å; T738-D741 PolarHBondContact O-N 3.39Å; T738-D741 VanDerWaalsContact O-N 3.12Å; T738-D741 VanDerWaalsContact OG1-CG 3.23Å; T738-D741 PolarHBondContact OG1-OD2 2.89Å; D741-V743 PolarHBondContact O-N 3.37Å; D741-I760 HydrophobicContact CB-CG2 3.97Å
742H72.8Confident74.5Confident124 Ų12466.5 Ų66.557%0.57434%0.343SS*.EExtended strand (participates in β ladder)trans-85.8101.9169.2-70.8-57000110.5
743V78.2Confident74.4Confident0 Ų067.2 Ų67.20%034%0.34CS..EExtended strand (participates in β ladder)trans-89.6116.7-177.3-169.40000110.3Y709 G710 V712 L735 L737 D741 I760 F772 L777Y709-V743 WeakPolarHBondContact CA-O 3.15Å; G710-V743 PolarHBondContact N-O 2.94Å; G710-V743 PolarHBondContact O-N 2.86Å; V712-V743 HydrophobicContact CG2-CG2 3.73Å; L735-V743 HydrophobicContact CD2-CG1 4.45Å; L737-V743 HydrophobicContact CD1-CG2 3.91Å; L737-V743 HydrophobicContact CD2-CG2 3.94Å; L737-V743 HydrophobicContact CG-CG2 3.7Å; D741-V743 PolarHBondContact O-N 3.37Å; V743-I760 HydrophobicContact CB-CG2 4.18Å; V743-I760 HydrophobicContact CG1-CG2 4.31Å; V743-I760 HydrophobicContact CG2-CG2 3.66Å; V743-F772 HydrophobicContact CG1-CD1 4.3Å; V743-F772 HydrophobicContact CG1-CE1 3.46Å; V743-F772 VanDerWaalsContact CG1-CE1 3.46Å; V743-F772 HydrophobicContact CG1-CE2 4.46Å; V743-F772 HydrophobicContact CG1-CZ 3.56Å; V743-L777 HydrophobicContact CB-CD2 4.29Å; V743-L777 HydrophobicContact CG2-CD2 4.16Å
744K82Confident74.4Confident66 Ų6668.1 Ų68.129%0.28735%0.345SS..EExtended strand (participates in β ladder)trans-89.4113.2169.6174.6169.9166.7-135.70109.4Y709 T746 G758 E759Y709-K744 HydrophobicContact CD1-CB 4.23Å; Y709-K744 HydrophobicContact CE1-CB 4.09Å; Y709-K744 HydrophobicContact CE1-CD 4.5Å; K744-T746 PolarHBondContact O-N 3.35Å; K744-G758 CarbonylContact O-C 3.6Å; K744-G758 WeakPolarHBondContact O-CA 3.49Å; K744-E759 HydrophobicContact CB-CG 3.81Å; K744-E759 HydrophobicContact CD-CG 4.31Å; K744-E759 VanDerWaalsContact CD-OE1 3.31Å; K744-E759 WeakPolarHBondContact CD-OE1 3.33Å; K744-E759 WeakPolarHBondContact CE-OE1 3.49Å; K744-E759 HydrophobicContact CG-CG 4.13Å; K744-E759 PolarHBondContact N-O 3.31Å; K744-E759 IonicContact NZ-OE1 3.31Å; K744-E759 PolarHBondContact NZ-OE1 3.32Å; K744-E759 PolarHBondContact O-N 3.42Å
745I81.6Confident74.5Confident43 Ų4366.9 Ų66.922%0.22134%0.339CS..EExtended strand (participates in β ladder)trans-71129.7-179.2-53.8175.7000109.1F708 Y756 F772 L777F708-I745 HydrophobicContact CD1-CD1 4.39Å; F708-I745 PolarHBondContact O-N 2.83Å; I745-Y756 HydrophobicContact CD1-CD2 4.17Å; I745-Y756 HydrophobicContact CD1-CE2 4.38Å; I745-Y756 HydrophobicContact CD1-CG 4.47Å; I745-Y756 HydrophobicContact CG2-CD1 4.38Å; I745-Y756 HydrophobicContact CG2-CG 4.32Å; I745-F772 HydrophobicContact CG1-CZ 4.5Å; I745-L777 HydrophobicContact CD1-CD1 3.68Å; I745-L777 HydrophobicContact CG1-CD1 3.91Å
746T79.3Confident74.8Confident61 Ų6169.4 Ų69.437%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-120.2-24-179.346.40000114.1K744 F757 E759K744-T746 PolarHBondContact O-N 3.35Å; T746-F757 PolarHBondContact N-O 2.88Å; T746-F757 WeakPolarHBondContact OG1-CD1 3.32Å; T746-F757 PolarHBondContact OG1-O 3.3Å; T746-E759 HydrophobicContact CG2-CG 4.09Å
747K78.6Confident75.4Confident139 Ų13967.7 Ų67.760%0.60433%0.334SS*.EExtended strand (participates in β ladder)trans-147.1155.9167.5-54.4-177.6177.5178.60111.9F757K747-F757 HydrophobicContact CB-CB 3.89Å; K747-F757 PolarHBondContact N-O 3.02Å; K747-F757 PolarHBondContact O-N 3.12Å
748E80.5Confident75.8Confident78 Ų7867.7 Ų67.736%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-104.4150.4166.2-179174.4162.800109.6D750 K753 Y756E748-D750 PolarHBondContact O-N 3.49Å; E748-K753 WeakPolarHBondContact OE1-CB 3.27Å; E748-K753 WeakPolarHBondContact OE1-CD 3.21Å; E748-K753 VanDerWaalsContact OE1-CG 3.24Å; E748-K753 WeakPolarHBondContact OE1-CG 3.32Å; E748-Y756 HydrophobicContact CB-CD1 4.03Å; E748-Y756 HydrophobicContact CB-CE1 4.2Å; E748-Y756 HydrophobicContact CG-CD1 3.93Å; E748-Y756 HydrophobicContact CG-CE1 3.77Å
749N74.1Confident76.5Confident7 Ų767.5 Ų67.54%0.03733%0.332CS..  trans-84.397.4173.1-169.4-23.8000110.4N751 N752 K753 W755 W771N749-N751 PolarHBondContact O-N 3.45Å; N749-N751 PolarHBondContact OD1-N 2.84Å; N749-N752 PolarHBondContact O-N 3.4Å; N749-K753 PolarHBondContact O-N 2.91Å; N749-W755 HydrophobicContact CB-CB 3.8Å; N749-W755 VanDerWaalsContact CB-O 3.31Å; N749-W755 WeakPolarHBondContact CB-O 3.34Å; N749-W755 PolarHBondContact N-O 3.46Å; N749-W771 HydrophobicContact CB-CE3 4.36Å; N749-W771 HydrophobicContact CB-CH2 4.02Å; N749-W771 HydrophobicContact CB-CZ3 3.59Å
750D71.2Confident77.1Confident148 Ų14864.9 Ų64.979%0.79132%0.315SS*.THydrogen-bonded Turntrans-48.3-30.7179.5-62.2-42.8000113.9E748E748-D750 PolarHBondContact O-N 3.49Å
751N62.2Low77.5Confident117 Ų11762.7 Ų62.763%0.62631%0.307SS*.THydrogen-bonded Turntrans-81.1-14-175.5-73.86.5000114.6N728 N749N728-N751 PolarHBondContact ND2-ND2 3.36Å; N749-N751 PolarHBondContact O-N 3.45Å; N749-N751 PolarHBondContact OD1-N 2.84Å
752N62.7Low77.2Confident42 Ų4263.1 Ų63.123%0.22531%0.309CS..THydrogen-bonded Turntrans-146.8-19.3-177.2-160.624.3000115.8N749 E754N749-N752 PolarHBondContact O-N 3.4Å; N752-E754 PolarHBondContact ND2-OE2 3.21Å; N752-E754 PolarHBondContact O-N 2.92Å
753K68.9Low77Confident143 Ų14365 Ų6562%0.62232%0.315SS*.SBendtrans56.7-13.5-172.3-52-158.1170.3-156.80117E748 N749 W755 A774E748-K753 WeakPolarHBondContact OE1-CB 3.27Å; E748-K753 WeakPolarHBondContact OE1-CD 3.21Å; E748-K753 VanDerWaalsContact OE1-CG 3.24Å; E748-K753 WeakPolarHBondContact OE1-CG 3.32Å; N749-K753 PolarHBondContact O-N 2.91Å; K753-W755 PolarHBondContact O-N 3.08Å; K753-A774 WeakPolarHBondContact O-CB 3.47Å
754E75.8Confident76.7Confident88 Ų8867.8 Ų67.841%0.41134%0.335SS..SBendtrans-76.72.7175.4-64.4173.1173.400112.6N752 P773 A774 K1277N752-E754 PolarHBondContact ND2-OE2 3.21Å; N752-E754 PolarHBondContact O-N 2.92Å; E754-P773 CarbonylContact O-C 3.52Å; E754-P773 WeakPolarHBondContact O-CA 3.42Å; E754-A774 PolarHBondContact O-N 3.34Å; E754-K1277 IonicContact OE1-NZ 2.66Å; E754-K1277 PolarHBondContact OE1-NZ 3.07Å
755W80Confident76.2Confident11 Ų1167 Ų674%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-140.5131.9-175.3-70.777.1000111.9I723 L725 P726 I729 F734 N749 K753 W771 F772 P773I723-W755 HydrophobicContact CG2-CH2 3.76Å; I723-W755 HydrophobicContact CG2-CZ2 4.04Å; L725-W755 HydrophobicContact CD2-CH2 3.65Å; L725-W755 HydrophobicContact CD2-CZ3 4Å; L725-W755 HydrophobicContact CG-CH2 4.5Å; P726-W755 VanDerWaalsContact CD-CZ2 3.46Å; P726-W755 VanDerWaalsContact CG-CD1 3.44Å; P726-W755 HydrophobicContact CG-CD2 3.94Å; P726-W755 HydrophobicContact CG-CG 3.79Å; P726-W755 HydrophobicContact CG-CZ2 4.43Å; I729-W755 HydrophobicContact CD1-CB 4.37Å; I729-W755 HydrophobicContact CD1-CD2 4.06Å; I729-W755 HydrophobicContact CD1-CE3 3.83Å; I729-W755 HydrophobicContact CD1-CG 4.29Å; I729-W755 HydrophobicContact CD1-CZ3 4.45Å; F734-W755 HydrophobicContact CD2-CH2 4.36Å; F734-W755 HydrophobicContact CD2-CZ3 4.01Å; F734-W755 AromaticContact CE2-CH2 3.78Å; F734-W755 HydrophobicContact CE2-CH2 3.78Å; F734-W755 AromaticContact CE2-CZ3 3.61Å; F734-W755 HydrophobicContact CE2-CZ3 3.61Å; N749-W755 HydrophobicContact CB-CB 3.8Å; N749-W755 VanDerWaalsContact CB-O 3.31Å; N749-W755 WeakPolarHBondContact CB-O 3.34Å; N749-W755 PolarHBondContact N-O 3.46Å; K753-W755 PolarHBondContact O-N 3.08Å; W755-W771 HydrophobicContact CB-CE3 4.25Å; W755-W771 HydrophobicContact CE3-CB 4.03Å; W755-W771 HydrophobicContact CZ3-CB 4.35Å; W755-F772 WeakPolarHBondContact CA-O 3.37Å; W755-P773 HydrophobicContact CH2-CG 4.22Å; W755-P773 HydrophobicContact CZ2-CG 4.36Å; W755-P773 HydrophobicContact CZ3-CG 4.35Å
756Y85.2Confident75.8Confident59 Ų5968.1 Ų68.123%0.23135%0.351CS..EExtended strand (participates in β ladder)trans-116.9145.7173.6-63.8-47.4000110.1I745 E748 W771 F772 A774 L777I745-Y756 HydrophobicContact CD1-CD2 4.17Å; I745-Y756 HydrophobicContact CD1-CE2 4.38Å; I745-Y756 HydrophobicContact CD1-CG 4.47Å; I745-Y756 HydrophobicContact CG2-CD1 4.38Å; I745-Y756 HydrophobicContact CG2-CG 4.32Å; E748-Y756 HydrophobicContact CB-CD1 4.03Å; E748-Y756 HydrophobicContact CB-CE1 4.2Å; E748-Y756 HydrophobicContact CG-CD1 3.93Å; E748-Y756 HydrophobicContact CG-CE1 3.77Å; Y756-W771 VanDerWaalsContact C-CE3 3.45Å; Y756-W771 CarbonylContact O-C 3.47Å; Y756-W771 VanDerWaalsContact O-CA 3.3Å; Y756-W771 WeakPolarHBondContact O-CA 3.4Å; Y756-F772 VanDerWaalsContact CB-CZ 3.48Å; Y756-F772 AromaticContact CD2-CE2 3.99Å; Y756-F772 HydrophobicContact CD2-CE2 3.99Å; Y756-F772 HydrophobicContact CD2-CZ 4.28Å; Y756-F772 HydrophobicContact CG-CE2 4.41Å; Y756-F772 HydrophobicContact CG-CZ 4.38Å; Y756-F772 PolarHBondContact N-O 3.02Å; Y756-F772 WeakPolarHBondContact O-CD1 3.48Å; Y756-F772 PolarHBondContact O-N 3.37Å; Y756-A774 HydrophobicContact CD2-CB 3.65Å; Y756-A774 HydrophobicContact CE1-CB 4.36Å; Y756-A774 HydrophobicContact CE2-CB 3.34Å; Y756-A774 HydrophobicContact CG-CB 4.27Å; Y756-L777 HydrophobicContact CD2-CD1 4.18Å
757F86.8Confident75.8Confident41 Ų4168.3 Ų68.318%0.1835%0.352CS..EExtended strand (participates in β ladder)trans-97.2130165.7-164-101.5000107.6T746 K747 K769 G770 W771T746-F757 PolarHBondContact N-O 2.88Å; T746-F757 WeakPolarHBondContact OG1-CD1 3.32Å; T746-F757 PolarHBondContact OG1-O 3.3Å; K747-F757 HydrophobicContact CB-CB 3.89Å; K747-F757 PolarHBondContact N-O 3.02Å; K747-F757 PolarHBondContact O-N 3.12Å; F757-K769 HydrophobicContact CE1-CB 4.07Å; F757-K769 HydrophobicContact CZ-CB 4.01Å; F757-G770 WeakPolarHBondContact CA-O 3.22Å; F757-G770 VanDerWaalsContact CD2-C 3.4Å; F757-G770 VanDerWaalsContact CE2-CA 3.49Å; F757-W771 HydrophobicContact CB-CD2 3.99Å; F757-W771 HydrophobicContact CB-CE3 3.81Å; F757-W771 HydrophobicContact CB-CH2 4.02Å; F757-W771 HydrophobicContact CB-CZ2 4.21Å; F757-W771 HydrophobicContact CB-CZ3 3.8Å; F757-W771 AromaticContact CD2-CD1 3.56Å; F757-W771 AromaticContact CD2-CD2 3.67Å; F757-W771 HydrophobicContact CD2-CD2 3.67Å; F757-W771 AromaticContact CD2-CE2 3.57Å; F757-W771 HydrophobicContact CD2-CE3 4.36Å; F757-W771 AromaticContact CD2-CG 3.7Å; F757-W771 HydrophobicContact CD2-CG 3.7Å; F757-W771 HydrophobicContact CD2-CZ2 4.22Å; F757-W771 AromaticContact CD2-NE1 3.5Å; F757-W771 AromaticContact CE2-CD1 3.9Å; F757-W771 HydrophobicContact CE2-CG 4.41Å; F757-W771 AromaticContact CE2-NE1 3.88Å; F757-W771 HydrophobicContact CG-CD2 4.33Å
758G83.1Confident75.8Confident0 Ų064.8 Ų64.80%034%0.34CS..EExtended strand (participates in β ladder)trans-143.5174.118000000112.4L735 K744 K769 G770L735-G758 WeakPolarHBondContact CD2-O 3.4Å; K744-G758 CarbonylContact O-C 3.6Å; K744-G758 WeakPolarHBondContact O-CA 3.49Å; G758-K769 VanDerWaalsContact O-CA 3.31Å; G758-K769 WeakPolarHBondContact O-CA 3.33Å; G758-G770 PolarHBondContact N-O 3.39Å; G758-G770 PolarHBondContact O-N 3.11Å; G758-G770 VanDerWaalsContact O-N 3.07Å
759E86.5Confident76.1Confident26 Ų2666.6 Ų66.612%0.12135%0.346CS..EExtended strand (participates in β ladder)trans-121.9123.2174.562.4-167.7-169.400109K744 T746 V767 N768 K769K744-E759 HydrophobicContact CB-CG 3.81Å; K744-E759 HydrophobicContact CD-CG 4.31Å; K744-E759 VanDerWaalsContact CD-OE1 3.31Å; K744-E759 WeakPolarHBondContact CD-OE1 3.33Å; K744-E759 WeakPolarHBondContact CE-OE1 3.49Å; K744-E759 HydrophobicContact CG-CG 4.13Å; K744-E759 PolarHBondContact N-O 3.31Å; K744-E759 IonicContact NZ-OE1 3.31Å; K744-E759 PolarHBondContact NZ-OE1 3.32Å; K744-E759 PolarHBondContact O-N 3.42Å; T746-E759 HydrophobicContact CG2-CG 4.09Å; E759-V767 HydrophobicContact CB-CG1 3.7Å; E759-V767 HydrophobicContact CG-CG1 4.36Å; E759-N768 WeakPolarHBondContact CA-O 3.41Å; E759-K769 HydrophobicContact CB-CD 4.19Å; E759-K769 HydrophobicContact CB-CG 3.89Å; E759-K769 WeakPolarHBondContact OE2-CE 3.48Å; E759-K769 IonicContact OE2-NZ 3.69Å; E759-K769 PolarHBondContact OE2-NZ 2.81Å
760I82.9Confident76.6Confident11 Ų1166.2 Ų66.26%0.05635%0.345CS..EExtended strand (participates in β ladder)trans-98.9140.5163.763.2-173.1000107.2L735 L737 D741 V743 V767 N768L735-I760 HydrophobicContact CD1-CD1 3.94Å; L735-I760 HydrophobicContact CD1-CG1 4.03Å; L735-I760 HydrophobicContact CD2-CG2 4.13Å; L735-I760 HydrophobicContact CG-CD1 4.26Å; L737-I760 HydrophobicContact CD2-CG2 4.5Å; D741-I760 HydrophobicContact CB-CG2 3.97Å; V743-I760 HydrophobicContact CB-CG2 4.18Å; V743-I760 HydrophobicContact CG1-CG2 4.31Å; V743-I760 HydrophobicContact CG2-CG2 3.66Å; I760-V767 CarbonylContact O-C 3.51Å; I760-V767 WeakPolarHBondContact O-CA 3.48Å; I760-N768 HydrophobicContact CD1-CB 4.21Å; I760-N768 HydrophobicContact CG1-CB 3.79Å; I760-N768 PolarHBondContact N-O 2.99Å; I760-N768 PolarHBondContact O-N 2.92Å
761T80.1Confident77.3Confident86 Ų8660.6 Ų60.653%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-100.8112.3166.1-52.50000106V767T761-V767 HydrophobicContact CG2-CG2 4.47Å
762D68.5Low78.4Confident35 Ų3555 Ų5519%0.18728%0.283CS..  trans-70.3173.517767.430.9000111.4S764 G765 I766 N768D762-S764 PolarHBondContact O-N 3.23Å; D762-S764 VanDerWaalsContact OD1-CA 3.31Å; D762-S764 WeakPolarHBondContact OD1-CA 3.38Å; D762-S764 WeakPolarHBondContact OD1-CB 3.47Å; D762-S764 PolarHBondContact OD1-N 3.36Å; D762-S764 PolarHBondContact OD1-OG 3.46Å; D762-G765 PolarHBondContact O-N 2.68Å; D762-G765 PolarHBondContact OD1-N 3.28Å; D762-I766 PolarHBondContact N-O 3.18Å; D762-I766 PolarHBondContact OD1-N 3.06Å; D762-I766 WeakPolarHBondContact OD2-CB 3.33Å; D762-N768 PolarHBondContact OD2-ND2 3.32Å
763K68.9Low79.2Confident164 Ų16453.5 Ų53.571%0.71328%0.275SS*.THydrogen-bonded Turntrans-64.4-13.8-178.1-55.4178.2-158.7124.20113.2E442E442-K763 WeakPolarHBondContact OE1-CB 3.2Å; E442-K763 WeakPolarHBondContact OE1-CD 3.44Å; E442-K763 WeakPolarHBondContact OE1-CG 3.32Å; E442-K763 IonicContact OE1-NZ 2.82Å; E442-K763 PolarHBondContact OE1-NZ 2.85Å; E442-K763 IonicContact OE2-NZ 3.41Å; E442-K763 PolarHBondContact OE2-NZ 2.96Å
764S71.1Confident79.6Confident58 Ų5847.5 Ų47.541%0.40625%0.252SS..THydrogen-bonded Turntrans-92.1-0.2175.277.80000113.5D762 I766D762-S764 PolarHBondContact O-N 3.23Å; D762-S764 VanDerWaalsContact OD1-CA 3.31Å; D762-S764 WeakPolarHBondContact OD1-CA 3.38Å; D762-S764 WeakPolarHBondContact OD1-CB 3.47Å; D762-S764 PolarHBondContact OD1-N 3.36Å; D762-S764 PolarHBondContact OD1-OG 3.46Å; S764-I766 VanDerWaalsContact C-N 3.3Å; S764-I766 WeakPolarHBondContact OG-CD1 3.33Å; S764-I766 WeakPolarHBondContact OG-CG1 3.46Å
765G72.1Confident79.5Confident50 Ų5048.2 Ų48.252%0.51527%0.265SS..SBendtrans80.97.3-178.600000113.9D762D762-G765 PolarHBondContact O-N 2.68Å; D762-G765 PolarHBondContact OD1-N 3.28Å
766I73.6Confident79.1Confident66 Ų6648 Ų4834%0.33827%0.266SS..  trans-79.8126.3176-59.7170.4000108.2A449 D762 S764 N768A449-I766 HydrophobicContact CB-CD1 3.86Å; D762-I766 PolarHBondContact N-O 3.18Å; D762-I766 PolarHBondContact OD1-N 3.06Å; D762-I766 WeakPolarHBondContact OD2-CB 3.33Å; S764-I766 VanDerWaalsContact C-N 3.3Å; S764-I766 WeakPolarHBondContact OG-CD1 3.33Å; S764-I766 WeakPolarHBondContact OG-CG1 3.46Å; I766-N768 PolarHBondContact O-N 3.41Å
767V79.7Confident78.4Confident65 Ų6546.2 Ų46.239%0.39426%0.26SS..EExtended strand (participates in β ladder)trans-87.791.8179.3-174.50000108.9E759 I760 T761 K769E759-V767 HydrophobicContact CB-CG1 3.7Å; E759-V767 HydrophobicContact CG-CG1 4.36Å; I760-V767 CarbonylContact O-C 3.51Å; I760-V767 WeakPolarHBondContact O-CA 3.48Å; T761-V767 HydrophobicContact CG2-CG2 4.47Å; V767-K769 HydrophobicContact CG1-CD 4.49Å; V767-K769 HydrophobicContact CG1-CG 4.11Å
768N79.1Confident77.2Confident65 Ų6549.6 Ų49.635%0.34828%0.275SS..EExtended strand (participates in β ladder)trans-78127.1174.6-65.1-53.5000109.1L735 E759 I760 D762 I766L735-N768 HydrophobicContact CD1-CB 4Å; E759-N768 WeakPolarHBondContact CA-O 3.41Å; I760-N768 HydrophobicContact CD1-CB 4.21Å; I760-N768 HydrophobicContact CG1-CB 3.79Å; I760-N768 PolarHBondContact N-O 2.99Å; I760-N768 PolarHBondContact O-N 2.92Å; D762-N768 PolarHBondContact OD2-ND2 3.32Å; I766-N768 PolarHBondContact O-N 3.41Å
769K86.3Confident75.3Confident116 Ų11654.4 Ų54.450%0.50431%0.306SS..EExtended strand (participates in β ladder)trans-120.9138.5-177.5-53-161.6-174.4-156.80110.9F757 G758 E759 V767F757-K769 HydrophobicContact CE1-CB 4.07Å; F757-K769 HydrophobicContact CZ-CB 4.01Å; G758-K769 VanDerWaalsContact O-CA 3.31Å; G758-K769 WeakPolarHBondContact O-CA 3.33Å; E759-K769 HydrophobicContact CB-CD 4.19Å; E759-K769 HydrophobicContact CB-CG 3.89Å; E759-K769 WeakPolarHBondContact OE2-CE 3.48Å; E759-K769 IonicContact OE2-NZ 3.69Å; E759-K769 PolarHBondContact OE2-NZ 2.81Å; V767-K769 HydrophobicContact CG1-CD 4.49Å; V767-K769 HydrophobicContact CG1-CG 4.11Å
770G84.5Confident73Confident0 Ų056.3 Ų56.30%032%0.322CS..EExtended strand (participates in β ladder)trans178.8174.3178.900000113.9Q733 F757 G758Q733-G770 CarbonylContact O-C 3.59Å; Q733-G770 VanDerWaalsContact O-CA 3.25Å; Q733-G770 WeakPolarHBondContact O-CA 3.45Å; F757-G770 WeakPolarHBondContact CA-O 3.22Å; F757-G770 VanDerWaalsContact CD2-C 3.4Å; F757-G770 VanDerWaalsContact CE2-CA 3.49Å; G758-G770 PolarHBondContact N-O 3.39Å; G758-G770 PolarHBondContact O-N 3.11Å; G758-G770 VanDerWaalsContact O-N 3.07Å
771W85.9Confident70.7Confident30 Ų3062.2 Ų62.211%0.11436%0.359CS..EExtended strand (participates in β ladder)trans-83.1135.3173.6-66.7100.1000111.3I729 Q733 L735 N749 W755 Y756 F757I729-W771 HydrophobicContact CB-CG 4.42Å; I729-W771 HydrophobicContact CD1-CB 3.76Å; I729-W771 HydrophobicContact CD1-CD2 3.5Å; I729-W771 VanDerWaalsContact CD1-CD2 3.5Å; I729-W771 HydrophobicContact CD1-CE3 3.88Å; I729-W771 HydrophobicContact CD1-CG 3.45Å; I729-W771 VanDerWaalsContact CD1-CG 3.45Å; I729-W771 HydrophobicContact CG1-CB 4.35Å; I729-W771 HydrophobicContact CG1-CD2 3.86Å; I729-W771 HydrophobicContact CG1-CG 3.71Å; I729-W771 HydrophobicContact CG2-CB 3.92Å; I729-W771 HydrophobicContact CG2-CG 3.87Å; Q733-W771 PolarHBondContact O-N 3.32Å; L735-W771 PolarHBondContact N-O 2.77Å; N749-W771 HydrophobicContact CB-CE3 4.36Å; N749-W771 HydrophobicContact CB-CH2 4.02Å; N749-W771 HydrophobicContact CB-CZ3 3.59Å; W755-W771 HydrophobicContact CB-CE3 4.25Å; W755-W771 HydrophobicContact CE3-CB 4.03Å; W755-W771 HydrophobicContact CZ3-CB 4.35Å; Y756-W771 VanDerWaalsContact C-CE3 3.45Å; Y756-W771 CarbonylContact O-C 3.47Å; Y756-W771 VanDerWaalsContact O-CA 3.3Å; Y756-W771 WeakPolarHBondContact O-CA 3.4Å; F757-W771 HydrophobicContact CB-CD2 3.99Å; F757-W771 HydrophobicContact CB-CE3 3.81Å; F757-W771 HydrophobicContact CB-CH2 4.02Å; F757-W771 HydrophobicContact CB-CZ2 4.21Å; F757-W771 HydrophobicContact CB-CZ3 3.8Å; F757-W771 AromaticContact CD2-CD1 3.56Å; F757-W771 AromaticContact CD2-CD2 3.67Å; F757-W771 HydrophobicContact CD2-CD2 3.67Å; F757-W771 AromaticContact CD2-CE2 3.57Å; F757-W771 HydrophobicContact CD2-CE3 4.36Å; F757-W771 AromaticContact CD2-CG 3.7Å; F757-W771 HydrophobicContact CD2-CG 3.7Å; F757-W771 HydrophobicContact CD2-CZ2 4.22Å; F757-W771 AromaticContact CD2-NE1 3.5Å; F757-W771 AromaticContact CE2-CD1 3.9Å; F757-W771 HydrophobicContact CE2-CG 4.41Å; F757-W771 AromaticContact CE2-NE1 3.88Å; F757-W771 HydrophobicContact CG-CD2 4.33Å
772F83.9Confident68.4Low0 Ų066.6 Ų66.60%037%0.37CS..EExtended strand (participates in β ladder)trans-139.5157.317160.1-85.7000109.8L735 L737 V743 I745 W755 Y756 C776 L777L735-F772 HydrophobicContact CB-CB 4.35Å; L735-F772 HydrophobicContact CB-CD1 4.19Å; L735-F772 HydrophobicContact CD2-CD1 3.92Å; L735-F772 HydrophobicContact CD2-CE1 4.32Å; L737-F772 HydrophobicContact CD1-CB 3.94Å; L737-F772 HydrophobicContact CD1-CD1 4.33Å; L737-F772 HydrophobicContact CD1-CD2 3.46Å; L737-F772 VanDerWaalsContact CD1-CD2 3.46Å; L737-F772 HydrophobicContact CD1-CE2 4.07Å; L737-F772 HydrophobicContact CD1-CG 3.62Å; L737-F772 HydrophobicContact CD2-CB 4.13Å; L737-F772 HydrophobicContact CD2-CD1 4.19Å; L737-F772 HydrophobicContact CD2-CG 4.07Å; V743-F772 HydrophobicContact CG1-CD1 4.3Å; V743-F772 HydrophobicContact CG1-CE1 3.46Å; V743-F772 VanDerWaalsContact CG1-CE1 3.46Å; V743-F772 HydrophobicContact CG1-CE2 4.46Å; V743-F772 HydrophobicContact CG1-CZ 3.56Å; I745-F772 HydrophobicContact CG1-CZ 4.5Å; W755-F772 WeakPolarHBondContact CA-O 3.37Å; Y756-F772 VanDerWaalsContact CB-CZ 3.48Å; Y756-F772 AromaticContact CD2-CE2 3.99Å; Y756-F772 HydrophobicContact CD2-CE2 3.99Å; Y756-F772 HydrophobicContact CD2-CZ 4.28Å; Y756-F772 HydrophobicContact CG-CE2 4.41Å; Y756-F772 HydrophobicContact CG-CZ 4.38Å; Y756-F772 PolarHBondContact N-O 3.02Å; Y756-F772 WeakPolarHBondContact O-CD1 3.48Å; Y756-F772 PolarHBondContact O-N 3.37Å; F772-C776 HydrophobicContact CD2-CB 4.32Å; F772-L777 HydrophobicContact CE2-CD1 3.43Å; F772-L777 VanDerWaalsContact CE2-CD1 3.43Å; F772-L777 HydrophobicContact CE2-CD2 4.37Å; F772-L777 HydrophobicContact CE2-CG 3.68Å; F772-L777 HydrophobicContact CZ-CD1 3.65Å; F772-L777 HydrophobicContact CZ-CG 4.34Å
773P79.6Confident66.7Low9 Ų970.6 Ų70.66%0.05840%0.401CS..EExtended strand (participates in β ladder)trans-64.2136.1177.9-23.935.4000112.9W716 E754 W755 C775 C776W716-P773 HydrophobicContact CH2-CG 4.41Å; W716-P773 HydrophobicContact CZ2-CG 3.89Å; E754-P773 CarbonylContact O-C 3.52Å; E754-P773 WeakPolarHBondContact O-CA 3.42Å; W755-P773 HydrophobicContact CH2-CG 4.22Å; W755-P773 HydrophobicContact CZ2-CG 4.36Å; W755-P773 HydrophobicContact CZ3-CG 4.35Å; P773-C775 VanDerWaalsContact CB-SG 3.55Å; P773-C775 PolarHBondContact O-N 2.99Å; P773-C776 WeakPolarHBondContact O-CB 3.41Å; P773-C776 PolarHBondContact O-N 3.23Å; P773-C776 PolarHBondContact O-SG 3.47Å; P773-C776 VanDerWaalsContact O-SG 3.42Å
774A78.1Confident64.7Low17 Ų1770 Ų7014%0.1441%0.406CS..G310 helixtrans-58.8-24.2178.600000113.4K753 E754 Y756 C776 L777K753-A774 WeakPolarHBondContact O-CB 3.47Å; E754-A774 PolarHBondContact O-N 3.34Å; Y756-A774 HydrophobicContact CD2-CB 3.65Å; Y756-A774 HydrophobicContact CE1-CB 4.36Å; Y756-A774 HydrophobicContact CE2-CB 3.34Å; Y756-A774 HydrophobicContact CG-CB 4.27Å; A774-C776 PolarHBondContact O-N 3.14Å; A774-L777 PolarHBondContact O-N 3.34Å
775C73.5Confident62.8Low103 Ų10374.4 Ų74.470%0.69643%0.431SS*.G310 helixtrans-71-9.9175.560.20000114.7P773 L777P773-C775 VanDerWaalsContact CB-SG 3.55Å; P773-C775 PolarHBondContact O-N 2.99Å; C775-L777 VanDerWaalsContact C-N 3.28Å
776C71Confident60.7Low7 Ų776.6 Ų76.65%0.04744%0.438CS..G310 helixtrans-75.3-16.1176.2-61.20000113.2Q713 L737 F772 P773 A774Q713-C776 PolarHBondContact N-O 2.85Å; L737-C776 HydrophobicContact CD1-CB 3.71Å; F772-C776 HydrophobicContact CD2-CB 4.32Å; P773-C776 WeakPolarHBondContact O-CB 3.41Å; P773-C776 PolarHBondContact O-N 3.23Å; P773-C776 PolarHBondContact O-SG 3.47Å; P773-C776 VanDerWaalsContact O-SG 3.42Å; A774-C776 PolarHBondContact O-N 3.14Å
777L71.8Confident58.4Low21 Ų2180.7 Ų80.711%0.1146%0.461CS..BIsolated β-bridgetrans-112.4146.8-176.1-60.1-177.7000112.7V712 L737 V743 I745 Y756 F772 A774 C775V712-L777 HydrophobicContact CG2-CD2 4.05Å; L737-L777 HydrophobicContact CD1-CD2 4.42Å; V743-L777 HydrophobicContact CB-CD2 4.29Å; V743-L777 HydrophobicContact CG2-CD2 4.16Å; I745-L777 HydrophobicContact CD1-CD1 3.68Å; I745-L777 HydrophobicContact CG1-CD1 3.91Å; Y756-L777 HydrophobicContact CD2-CD1 4.18Å; F772-L777 HydrophobicContact CE2-CD1 3.43Å; F772-L777 VanDerWaalsContact CE2-CD1 3.43Å; F772-L777 HydrophobicContact CE2-CD2 4.37Å; F772-L777 HydrophobicContact CE2-CG 3.68Å; F772-L777 HydrophobicContact CZ-CD1 3.65Å; F772-L777 HydrophobicContact CZ-CG 4.34Å; A774-L777 PolarHBondContact O-N 3.34Å; C775-L777 VanDerWaalsContact C-N 3.28Å
778K60Low56.1Low113 Ų11385 Ų8549%0.49148%0.48SS..  trans-92.6143167.3-122.8-171.6-166.3143.40111.6Q713 S780Q713-K778 VanDerWaalsContact CD-CD 3.46Å; Q713-K778 HydrophobicContact CG-CB 3.72Å; Q713-K778 HydrophobicContact CG-CD 4.12Å; Q713-K778 HydrophobicContact CG-CG 3.8Å; Q713-K778 VanDerWaalsContact OE1-CD 3.31Å; K778-S780 PolarHBondContact O-N 3.49Å
779P44.4Very low53.6Low100 Ų10088.3 Ų88.365%0.64950%0.498SS*.  trans-67.2128.7170.4-17.931.3000111.6
780S38.4Very low50.9Low67 Ų6790.2 Ų90.247%0.46951%0.508SS..  trans-127137.5177.5-173.70000110.9K778K778-S780 PolarHBondContact O-N 3.49Å
781T34.2Very low48.3Very low134 Ų13497.5 Ų97.582%0.82255%0.547SS*.  trans-141.4119.4175.552.10000109.5
782K32.2Very low45.5Very low178 Ų17899.4 Ų99.477%0.77458%0.576SS**  trans-115.7142.8174.4-71.2178.5177.8172.80110.2
783S31.6Very low42.6Very low120 Ų120107.1 Ų107.184%0.83962%0.616SS**  trans-156.8146.2150.1580000110.2
784N27.9Very low40Very low150 Ų150113.1 Ų113.180%0.80265%0.648SS**  trans-102.7146.1179.9-68.7-36.2000110.1
785T30.8Very low37.3Very low152 Ų152119.4 Ų119.493%0.93368%0.678SS**  164.6171.8116.639.90000112.6
786S28.3Very low35Very low95 Ų95119.1 Ų119.166%0.66468%0.677SS**  trans-100.3152.2-154.854.70000117.1
787N26.2Very low32.8Very low153 Ų153123.8 Ų123.882%0.81871%0.709SS**  trans73.1154144.6-70-19.1000121.9
788I29.9Very low30.7Very low155 Ų155128 Ų12880%0.79574%0.741SS**  trans94.784.3165.2-47.9-177.3000117.3
789N27.4Very low29.3Very low135 Ų135127.7 Ų127.772%0.72275%0.753SS**  45.4125.8121.6-73.3-10.5000123.5
790Q29.4Very low28.4Very low156 Ų156130.3 Ų130.373%0.72976%0.761SS**  trans87.3116.8130.1-74.4-175.917.400121.8
791N28.9Very low27.9Very low152 Ų152132 Ų13281%0.81377%0.774SS**  trans73.4109.8131.7-59.2-11.6000120.2
792G26.9Very low27.6Very low70 Ų70130.9 Ų130.972%0.72277%0.771SS**  132.8106.9124.700000117.2
793L24.8Very low27.4Very low162 Ų162126.9 Ų126.985%0.84877%0.766SS**  trans69.8117.7150.3-65.2161.9000119.6
794N23.6Very low27.4Very low135 Ų135130.2 Ų130.272%0.72277%0.765SS**  trans79.8133.7130.8-89.3-8.8000122.3
795I22.5Very low27.8Very low149 Ų149128.6 Ų128.676%0.76475%0.753SS**  trans80.2133.9156.9-51.5144.4000115.9
796S25.7Very low28.4Very low97 Ų97124.1 Ų124.168%0.67873%0.726SS**  trans57.3121.4159.460.80000120.1
797S24.5Very low29.6Very low105 Ų105126.4 Ų126.473%0.73473%0.731SS**  trans46.7139.2134.363.40000122.4
798S27.8Very low31.7Very low111 Ų111121.8 Ų121.878%0.77671%0.705SS**  trans112.3119.8147.676.60000118.1
799S29Very low34.1Very low105 Ų105118.6 Ų118.673%0.73469%0.69SS**  trans49.7107.3142.252.90000121.8
800N26.8Very low37Very low155 Ų155113.4 Ų113.483%0.82966%0.661SS**  trans-147.9113.7134-93-24.3000105.5
801S27.5Very low39.9Very low104 Ų104106.4 Ų106.473%0.72763%0.629SS**  83.97869.4760000114.4
802S28.1Very low43Very low109 Ų10999.1 Ų99.176%0.76259%0.59SS**  trans-161.5131.916055.40000110.4
803S27.3Very low46.1Very low95 Ų9597.1 Ų97.166%0.66456%0.562SS**  trans29.5111.1165.657.40000118Q805S803-Q805 PolarHBondContact O-N 3.4Å
804K32.6Very low49.3Very low189 Ų18989.5 Ų89.582%0.82252%0.523SS*.  trans-68.776.1159.7-75.1-171.5176.1-177.10110.5
805Q36Very low52.4Low117 Ų11785.3 Ų85.355%0.54750%0.5SS..  trans-52.5149.2148.1-73.2-172.8-2300108S803 D807S803-Q805 PolarHBondContact O-N 3.4Å; Q805-D807 PolarHBondContact O-N 3.38Å
806P42.8Very low55.5Low58 Ų5883.1 Ų83.138%0.37748%0.483SS..  trans-56.3133.716826.4-33.5000108.4I808 C837 I847P806-I808 WeakPolarHBondContact O-CG1 3.46Å; P806-I808 PolarHBondContact O-N 3.26Å; P806-C837 HydrophobicContact CB-CB 4.07Å; P806-C837 HydrophobicContact CG-CB 4.49Å; P806-C837 VanDerWaalsContact CG-SG 3.56Å; P806-I847 HydrophobicContact CG-CD1 3.77Å
807D53.5Low58.5Low142 Ų14282.2 Ų82.276%0.75948%0.475SS*.  trans-54.7108.2-174.5-78-41.3000110.3Q805 L809Q805-D807 PolarHBondContact O-N 3.38Å; D807-L809 PolarHBondContact O-N 2.97Å
808I70.6Confident61.6Low56 Ų5678.6 Ų78.629%0.28745%0.445SS..  trans-75.897.9-177.6-56.5162.4000106.8P806 F810 R835 V836P806-I808 WeakPolarHBondContact O-CG1 3.46Å; P806-I808 PolarHBondContact O-N 3.26Å; I808-F810 PolarHBondContact O-N 3.44Å; I808-R835 HydrophobicContact CD1-CB 4.3Å; I808-R835 HydrophobicContact CD1-CG 4.32Å; I808-R835 HydrophobicContact CG1-CB 4.17Å; I808-R835 HydrophobicContact CG2-CB 3.87Å; I808-R835 HydrophobicContact CG2-CG 4.3Å; I808-V836 CarbonylContact C-O 3.53Å; I808-V836 WeakPolarHBondContact CA-O 3.49Å
809L80.7Confident64.4Low89 Ų8980.3 Ų80.347%0.46644%0.441SS..  trans-57.4-38.3178.5-61.5175.2000111D807 V836 I839D807-L809 PolarHBondContact O-N 2.97Å; L809-V836 PolarHBondContact N-O 3.45Å; L809-I839 HydrophobicContact CD1-CD1 3.85Å; L809-I839 HydrophobicContact CD1-CG1 3.83Å
810F89Confident67Low26 Ų2676.1 Ų76.111%0.11441%0.412CS..EExtended strand (participates in β ladder)trans-175.1164.8168.748.7-94.6000110.5I808 C812 V836 I839 W844 K864I808-F810 PolarHBondContact O-N 3.44Å; F810-C812 HydrophobicContact CD2-CB 4.38Å; F810-C812 HydrophobicContact CE2-CB 4.29Å; F810-V836 HydrophobicContact CD2-CB 4.15Å; F810-V836 HydrophobicContact CD2-CG2 3.8Å; F810-V836 HydrophobicContact CE2-CB 4Å; F810-V836 HydrophobicContact CE2-CG1 4.36Å; F810-V836 HydrophobicContact CE2-CG2 3.53Å; F810-V836 HydrophobicContact CZ-CB 4.35Å; F810-V836 HydrophobicContact CZ-CG1 4.28Å; F810-V836 HydrophobicContact CZ-CG2 4.26Å; F810-V836 WeakPolarHBondContact O-CB 3.41Å; F810-V836 PolarHBondContact O-N 3.47Å; F810-I839 HydrophobicContact CE1-CD1 3.81Å; F810-I839 HydrophobicContact CZ-CD1 4.28Å; F810-W844 AromaticContact CE2-CE3 3.86Å; F810-W844 HydrophobicContact CE2-CE3 3.86Å; F810-W844 HydrophobicContact CE2-CH2 4.02Å; F810-W844 AromaticContact CE2-CZ3 3.45Å; F810-W844 HydrophobicContact CE2-CZ3 3.45Å; F810-W844 VanDerWaalsContact CE2-CZ3 3.45Å; F810-W844 HydrophobicContact CZ-CD2 4.31Å; F810-W844 AromaticContact CZ-CE3 3.84Å; F810-W844 HydrophobicContact CZ-CE3 3.84Å; F810-W844 AromaticContact CZ-CH2 3.72Å; F810-W844 HydrophobicContact CZ-CH2 3.72Å; F810-W844 HydrophobicContact CZ-CZ2 4.17Å; F810-W844 AromaticContact CZ-CZ3 3.54Å; F810-W844 HydrophobicContact CZ-CZ3 3.54Å; F810-K864 HydrophobicContact CB-CD 4.19Å; F810-K864 HydrophobicContact CB-CG 4.2Å; F810-K864 HydrophobicContact CD1-CD 3.74Å; F810-K864 VanDerWaalsContact CD1-CE 3.47Å; F810-K864 HydrophobicContact CD1-CG 4.46Å; F810-K864 HydrophobicContact CD2-CB 3.99Å; F810-K864 HydrophobicContact CD2-CD 3.71Å; F810-K864 HydrophobicContact CD2-CG 3.55Å; F810-K864 HydrophobicContact CE1-CD 3.93Å; F810-K864 HydrophobicContact CE2-CB 3.97Å; F810-K864 HydrophobicContact CE2-CD 3.92Å; F810-K864 HydrophobicContact CE2-CG 3.96Å; F810-K864 HydrophobicContact CG-CD 3.6Å; F810-K864 VanDerWaalsContact CG-CE 3.43Å; F810-K864 HydrophobicContact CG-CG 3.83Å; F810-K864 HydrophobicContact CZ-CD 4.03Å
811S89.8Confident69.4Low8 Ų873.9 Ų73.96%0.05640%0.4CS..EExtended strand (participates in β ladder)trans-86.6145.7165-60.70000110.8I834 L865S811-I834 CarbonylContact C-O 3.53Å; S811-I834 WeakPolarHBondContact CA-O 3.29Å; S811-L865 PolarHBondContact O-N 2.94Å
812C92.9Very high71.9Confident0 Ų073.1 Ų73.10%039%0.391CS..EExtended strand (participates in β ladder)trans-134.6157.6170.363.70000111.1F810 I834 V836 V862 R863F810-C812 HydrophobicContact CD2-CB 4.38Å; F810-C812 HydrophobicContact CE2-CB 4.29Å; C812-I834 PolarHBondContact N-O 3.32Å; C812-I834 PolarHBondContact O-N 3.27Å; C812-V836 HydrophobicContact CB-CG2 4.24Å; C812-V836 WeakPolarHBondContact SG-CG2 3.28Å; C812-V862 HydrophobicContact CB-CB 4.02Å; C812-V862 HydrophobicContact CB-CG2 4.1Å; C812-R863 CarbonylContact C-O 3.58Å; C812-R863 WeakPolarHBondContact CA-O 3.39Å; C812-R863 VanDerWaalsContact CB-O 3.23Å; C812-R863 WeakPolarHBondContact CB-O 3.42Å
813I92.3Very high74.2Confident27 Ų2773.5 Ų73.514%0.13839%0.39CS..EExtended strand (participates in β ladder)trans-113.7134.7176-168.2170.8000110.4L815 D832 V862 R863 L865 M873I813-L815 PolarHBondContact O-N 2.98Å; I813-D832 CarbonylContact C-O 3.5Å; I813-D832 VanDerWaalsContact CA-O 3.3Å; I813-D832 WeakPolarHBondContact CA-O 3.49Å; I813-V862 CarbonylContact O-C 3.59Å; I813-V862 WeakPolarHBondContact O-CA 3.36Å; I813-R863 HydrophobicContact CG2-CB 4.16Å; I813-R863 PolarHBondContact N-O 3.12Å; I813-R863 PolarHBondContact O-N 3.41Å; I813-L865 HydrophobicContact CB-CD1 4.29Å; I813-L865 HydrophobicContact CB-CD2 4.43Å; I813-L865 HydrophobicContact CB-CG 4.42Å; I813-L865 HydrophobicContact CG2-CD2 4.1Å; I813-L865 HydrophobicContact CG2-CG 4.36Å; I813-M873 HydrophobicContact CD1-CE 4.23Å
814A93.1Very high76.6Confident3 Ų371.4 Ų71.43%0.02538%0.384CS..EExtended strand (participates in β ladder)trans-65.2121.7175.600000111.1L828 S829 G831 D832 I834A814-L828 HydrophobicContact CB-CB 3.99Å; A814-L828 HydrophobicContact CB-CD1 4.23Å; A814-S829 VanDerWaalsContact CB-O 3.25Å; A814-S829 WeakPolarHBondContact CB-O 3.39Å; A814-G831 PolarHBondContact O-N 3.34Å; A814-D832 HydrophobicContact CB-CB 4.07Å; A814-D832 PolarHBondContact N-O 2.84Å; A814-I834 HydrophobicContact CB-CD1 4.09Å
815L87.1Confident79.4Confident47 Ų4764 Ų6425%0.24635%0.354CS..SBendtrans-88.2-29.7175.2-65.8-174.8000112.2I813 Y861 R863I813-L815 PolarHBondContact O-N 2.98Å; L815-Y861 PolarHBondContact N-O 3.19Å; L815-R863 HydrophobicContact CD1-CB 3.95Å; L815-R863 HydrophobicContact CD2-CB 3.9Å; L815-R863 HydrophobicContact CG-CB 3.86Å
816Y87.6Confident81.9Confident102 Ų10258.6 Ų58.640%0.433%0.328SS..SBendtrans-131.1148.4-177-60.2-72.4000109Y861Y816-Y861 PolarHBondContact N-O 3.46Å
817P89.5Confident84.2Confident79 Ų7959.5 Ų59.551%0.51333%0.33SS..  trans-68.3141.6171.732-32000108.8L828 V830 Y861P817-L828 CarbonylContact C-O 3.53Å; P817-L828 VanDerWaalsContact CA-O 3.26Å; P817-L828 WeakPolarHBondContact CA-O 3.25Å; P817-V830 HydrophobicContact CB-CG2 4.43Å; P817-V830 HydrophobicContact CG-CG2 4.37Å; P817-Y861 WeakPolarHBondContact O-CD1 3.29Å; P817-Y861 WeakPolarHBondContact O-CE1 3.44Å
818Y88.5Confident85.9Confident28 Ų2853 Ų5311%0.1130%0.295CS..BIsolated β-bridgetrans-133.3126.2176.6177.2-110.3000109S820 D825 L826 N827 L828 W843 F857 P858 Y861Y818-S820 WeakPolarHBondContact OH-CB 3.43Å; Y818-S820 PolarHBondContact OH-OG 3.03Å; Y818-D825 PolarHBondContact OH-OD2 3.2Å; Y818-L826 WeakPolarHBondContact CD1-O 3.18Å; Y818-N827 CarbonylContact O-C 3.56Å; Y818-N827 VanDerWaalsContact O-CA 3.24Å; Y818-N827 WeakPolarHBondContact O-CA 3.34Å; Y818-L828 HydrophobicContact CD1-CG 4.49Å; Y818-L828 PolarHBondContact N-O 3.43Å; Y818-L828 PolarHBondContact O-N 3.31Å; Y818-W843 HydrophobicContact CE1-CZ3 4.49Å; Y818-W843 VanDerWaalsContact OH-CH2 3.22Å; Y818-W843 WeakPolarHBondContact OH-CH2 3.48Å; Y818-W843 VanDerWaalsContact OH-CZ3 3.29Å; Y818-W843 WeakPolarHBondContact OH-CZ3 3.45Å; Y818-F857 HydrophobicContact CD1-CB 4.26Å; Y818-F857 HydrophobicContact CE1-CB 4.49Å; Y818-P858 HydrophobicContact CD2-CG 3.91Å; Y818-P858 VanDerWaalsContact CE1-CD 3.49Å; Y818-P858 HydrophobicContact CE1-CG 4.27Å; Y818-P858 HydrophobicContact CE2-CG 3.6Å; Y818-P858 HydrophobicContact CG-CG 4.41Å; Y818-Y861 HydrophobicContact CD2-CD1 4.2Å; Y818-Y861 HydrophobicContact CD2-CE1 4.07Å; Y818-Y861 HydrophobicContact CG-CD1 4.32Å
819E87.6Confident86.8Confident148 Ų14852.9 Ų52.969%0.69230%0.299SS*.  trans-126.1126.8176.2-66.5-178.8176.200108.2N827E819-N827 WeakPolarHBondContact CA-OD1 3.3Å
820S83.7Confident87.1Confident17 Ų1753.2 Ų53.212%0.11931%0.305CS..  trans-110.8145.8177.1-168.80000112Y818 V822 D825 N827Y818-S820 WeakPolarHBondContact OH-CB 3.43Å; Y818-S820 PolarHBondContact OH-OG 3.03Å; S820-V822 PolarHBondContact OG-N 2.83Å; S820-D825 WeakPolarHBondContact CB-OD2 3.49Å; S820-D825 WeakPolarHBondContact OG-CB 3.34Å; S820-D825 PolarHBondContact OG-OD2 3.46Å; S820-N827 PolarHBondContact N-OD1 3.15Å
821N77.9Confident86.9Confident107 Ų10753.8 Ų53.857%0.57232%0.318SS*.SBendtrans-94.4-0.5170.8-67-24.4000112.2
822V79.9Confident86.9Confident89 Ų8953.9 Ų53.954%0.53932%0.318SS..SBendtrans-96.6122.7-179-174.50000110.3S820 G824 D825S820-V822 PolarHBondContact OG-N 2.83Å; V822-G824 PolarHBondContact O-N 3.25Å; V822-D825 PolarHBondContact O-N 3.49Å
823P76.2Confident86.9Confident116 Ų11655 Ų5575%0.75332%0.324SS*.THydrogen-bonded Turntrans-63.3123.3175.8-21.633.3000111.9
824G77.5Confident86.9Confident52 Ų5253.7 Ų53.754%0.53632%0.317SS..THydrogen-bonded Turntrans111-11.7-176.300000113.9V822 G855 L856V822-G824 PolarHBondContact O-N 3.25Å; G824-G855 CarbonylContact O-C 3.45Å; G824-G855 WeakPolarHBondContact O-CA 3.47Å; G824-L856 PolarHBondContact O-N 3.47Å
825D90.2Very high86.8Confident34 Ų3456.2 Ų56.218%0.18233%0.326CS..BIsolated β-bridgetrans-82.3155.5169.1-69.40.4000111.3Y818 S820 V822 L856Y818-D825 PolarHBondContact OH-OD2 3.2Å; S820-D825 WeakPolarHBondContact CB-OD2 3.49Å; S820-D825 WeakPolarHBondContact OG-CB 3.34Å; S820-D825 PolarHBondContact OG-OD2 3.46Å; V822-D825 PolarHBondContact O-N 3.49Å; D825-L856 CarbonylContact C-O 3.53Å; D825-L856 WeakPolarHBondContact CA-O 3.27Å; D825-L856 WeakPolarHBondContact CB-O 3.46Å
826L89.2Confident87.1Confident2 Ų254 Ų541%0.0131%0.314CS..  trans-106.4109.2-173.9-173.966.7000110.8Y818 L828 I834 C848 L853 L856 F857Y818-L826 WeakPolarHBondContact CD1-O 3.18Å; L826-L828 HydrophobicContact CD2-CD2 3.97Å; L826-L828 HydrophobicContact CG-CD2 3.97Å; L826-L828 PolarHBondContact O-N 2.95Å; L826-I834 HydrophobicContact CD2-CG1 4.47Å; L826-I834 HydrophobicContact CD2-CG2 3.95Å; L826-C848 HydrophobicContact CD1-CB 3.97Å; L826-C848 HydrophobicContact CD2-CB 3.9Å; L826-C848 HydrophobicContact CG-CB 4.19Å; L826-L853 HydrophobicContact CD1-CB 3.75Å; L826-L853 VanDerWaalsContact CD1-O 3.25Å; L826-L853 WeakPolarHBondContact CD1-O 3.36Å; L826-L856 PolarHBondContact N-O 2.86Å; L826-F857 HydrophobicContact CB-CB 4.42Å; L826-F857 HydrophobicContact CB-CD1 4.26Å; L826-F857 HydrophobicContact CD2-CD1 3.78Å; L826-F857 HydrophobicContact CD2-CE1 4.22Å
827N90.7Very high87.1Confident78 Ų7849.8 Ų49.842%0.41730%0.3SS..  trans-66.3128.7173.9-68.4-9.2000110.8Y818 E819 S820Y818-N827 CarbonylContact O-C 3.56Å; Y818-N827 VanDerWaalsContact O-CA 3.24Å; Y818-N827 WeakPolarHBondContact O-CA 3.34Å; E819-N827 WeakPolarHBondContact CA-OD1 3.3Å; S820-N827 PolarHBondContact N-OD1 3.15Å
828L90.2Very high87Confident4 Ų448.4 Ų48.42%0.02129%0.29CS..BIsolated β-bridgetrans-113136.3-178.4-51-178.1000110.6A814 P817 Y818 L826 I834 F857 V862A814-L828 HydrophobicContact CB-CB 3.99Å; A814-L828 HydrophobicContact CB-CD1 4.23Å; P817-L828 CarbonylContact C-O 3.53Å; P817-L828 VanDerWaalsContact CA-O 3.26Å; P817-L828 WeakPolarHBondContact CA-O 3.25Å; Y818-L828 HydrophobicContact CD1-CG 4.49Å; Y818-L828 PolarHBondContact N-O 3.43Å; Y818-L828 PolarHBondContact O-N 3.31Å; L826-L828 HydrophobicContact CD2-CD2 3.97Å; L826-L828 HydrophobicContact CG-CD2 3.97Å; L826-L828 PolarHBondContact O-N 2.95Å; L828-I834 HydrophobicContact CD1-CD1 4.46Å; L828-I834 HydrophobicContact CD2-CD1 3.83Å; L828-I834 HydrophobicContact CD2-CG1 3.82Å; L828-F857 HydrophobicContact CD1-CB 3.93Å; L828-F857 HydrophobicContact CD1-CD2 4.02Å; L828-F857 HydrophobicContact CD1-CG 4.07Å; L828-F857 HydrophobicContact CD2-CB 4.45Å; L828-F857 HydrophobicContact CD2-CG 4.45Å; L828-F857 HydrophobicContact CG-CB 4.27Å; L828-V862 HydrophobicContact CD1-CG1 3.69Å
829S88.2Confident86.9Confident54 Ų5451.1 Ų51.138%0.37831%0.306SS..  trans-104.5149.9163.5-59.10000109.6A814 G831 D832 R850A814-S829 VanDerWaalsContact CB-O 3.25Å; A814-S829 WeakPolarHBondContact CB-O 3.39Å; S829-G831 PolarHBondContact O-N 3.02Å; S829-D832 PolarHBondContact N-OD2 3.29Å; S829-D832 VanDerWaalsContact O-CB 3.26Å; S829-D832 WeakPolarHBondContact O-CB 3.45Å; S829-D832 VanDerWaalsContact O-CG 3.28Å; S829-D832 PolarHBondContact O-N 3.36Å; S829-R850 PolarHBondContact OG-NH2 3.49Å; S829-R850 VanDerWaalsContact OG-NH2 3.15Å
830V87.4Confident86.4Confident96 Ų9648.9 Ų48.958%0.58229%0.294SS*.THydrogen-bonded Turntrans-57.6126.6179-177.70000110P817P817-V830 HydrophobicContact CB-CG2 4.43Å; P817-V830 HydrophobicContact CG-CG2 4.37Å
831G84.4Confident86Confident38 Ų3855.4 Ų55.439%0.39233%0.327SS..THydrogen-bonded Turntrans93.9-7.5-175.300000115.2A814 S829 L833A814-G831 PolarHBondContact O-N 3.34Å; S829-G831 PolarHBondContact O-N 3.02Å; G831-L833 PolarHBondContact O-N 3.07Å
832D91.4Very high86.3Confident10 Ų1056.2 Ų56.25%0.05333%0.332CS..  trans-58.7127.6173.8-80.1-7.9000110.7I813 A814 S829 I834 R850I813-D832 CarbonylContact C-O 3.5Å; I813-D832 VanDerWaalsContact CA-O 3.3Å; I813-D832 WeakPolarHBondContact CA-O 3.49Å; A814-D832 HydrophobicContact CB-CB 4.07Å; A814-D832 PolarHBondContact N-O 2.84Å; S829-D832 PolarHBondContact N-OD2 3.29Å; S829-D832 VanDerWaalsContact O-CB 3.26Å; S829-D832 WeakPolarHBondContact O-CB 3.45Å; S829-D832 VanDerWaalsContact O-CG 3.28Å; S829-D832 PolarHBondContact O-N 3.36Å; D832-I834 HydrophobicContact CB-CD1 4.2Å; D832-I834 WeakPolarHBondContact O-CD1 3.26Å; D832-R850 WeakPolarHBondContact OD1-CD 3.29Å; D832-R850 IonicContact OD1-CZ 3.16Å; D832-R850 IonicContact OD1-NE 2.72Å; D832-R850 PolarHBondContact OD1-NE 3.31Å; D832-R850 IonicContact OD1-NH2 2.79Å; D832-R850 IonicContact OD2-CZ 2.62Å; D832-R850 IonicContact OD2-NE 3.95Å; D832-R850 PolarHBondContact OD2-NE 2.98Å; D832-R850 IonicContact OD2-NH2 2.72Å; D832-R850 PolarHBondContact OD2-NH2 2.84Å
833L91.5Very high86.7Confident24 Ų2457 Ų5713%0.12633%0.325CS..EExtended strand (participates in β ladder)trans-85.2127.1171.5179.965.4000108.5G831 E849 L865G831-L833 PolarHBondContact O-N 3.07Å; L833-E849 HydrophobicContact CB-CB 4.02Å; L833-E849 HydrophobicContact CB-CG 3.93Å; L833-E849 HydrophobicContact CD2-CG 3.74Å; L833-E849 HydrophobicContact CG-CB 4.44Å; L833-E849 HydrophobicContact CG-CG 3.79Å; L833-E849 VanDerWaalsContact O-CB 3.3Å; L833-E849 WeakPolarHBondContact O-CB 3.31Å; L833-E849 PolarHBondContact O-N 3.08Å; L833-L865 HydrophobicContact CD1-CD1 3.19Å
834I92.9Very high87.5Confident0 Ų053.2 Ų53.20%030%0.296CS..EExtended strand (participates in β ladder)trans-124.8125.1-179-51.899.6000109.5S811 C812 A814 L826 L828 D832 V836 I847 C848 F857 V862S811-I834 CarbonylContact C-O 3.53Å; S811-I834 WeakPolarHBondContact CA-O 3.29Å; C812-I834 PolarHBondContact N-O 3.32Å; C812-I834 PolarHBondContact O-N 3.27Å; A814-I834 HydrophobicContact CB-CD1 4.09Å; L826-I834 HydrophobicContact CD2-CG1 4.47Å; L826-I834 HydrophobicContact CD2-CG2 3.95Å; L828-I834 HydrophobicContact CD1-CD1 4.46Å; L828-I834 HydrophobicContact CD2-CD1 3.83Å; L828-I834 HydrophobicContact CD2-CG1 3.82Å; D832-I834 HydrophobicContact CB-CD1 4.2Å; D832-I834 WeakPolarHBondContact O-CD1 3.26Å; I834-V836 PolarHBondContact O-N 2.92Å; I834-I847 CarbonylContact C-O 3.58Å; I834-I847 VanDerWaalsContact CA-O 3.31Å; I834-I847 WeakPolarHBondContact CA-O 3.47Å; I834-C848 HydrophobicContact CG1-CB 4.18Å; I834-F857 HydrophobicContact CG2-CD1 4.38Å; I834-F857 HydrophobicContact CG2-CE1 3.58Å; I834-F857 HydrophobicContact CG2-CZ 3.88Å; I834-V862 HydrophobicContact CD1-CG1 3.99Å
835R91.5Very high88.2Confident55 Ų5552.2 Ų52.221%0.20828%0.277CS..EExtended strand (participates in β ladder)trans-86.4104.4173.3-68.2179.3-174.1-93.9-5.9108.4I808 C837 G846 I847 E849 E874I808-R835 HydrophobicContact CD1-CB 4.3Å; I808-R835 HydrophobicContact CD1-CG 4.32Å; I808-R835 HydrophobicContact CG1-CB 4.17Å; I808-R835 HydrophobicContact CG2-CB 3.87Å; I808-R835 HydrophobicContact CG2-CG 4.3Å; R835-C837 PolarHBondContact O-SG 3.47Å; R835-C837 VanDerWaalsContact O-SG 3.35Å; R835-G846 CarbonylContact O-C 3.52Å; R835-G846 WeakPolarHBondContact O-CA 3.47Å; R835-I847 PolarHBondContact N-O 2.68Å; R835-I847 PolarHBondContact O-N 3.12Å; R835-E849 IonicContact CZ-OE1 3.82Å; R835-E849 IonicContact NE-OE1 2.72Å; R835-E849 PolarHBondContact NE-OE1 3.42Å; R835-E849 IonicContact NH2-OE1 2.64Å; R835-E849 PolarHBondContact NH2-OE1 3.29Å; R835-E874 IonicContact CZ-OE1 3.72Å; R835-E874 IonicContact NH1-OE1 3.69Å; R835-E874 PolarHBondContact NH1-OE1 3.02Å; R835-E874 VanDerWaalsContact NH1-OE1 3.12Å; R835-E874 IonicContact NH2-OE1 2.62Å; R835-E874 PolarHBondContact NH2-OE1 2.88Å
836V92.3Very high88.3Confident0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-75.7127-175-171.80000110I808 L809 F810 C812 I834 I839 W844 F857I808-V836 CarbonylContact C-O 3.53Å; I808-V836 WeakPolarHBondContact CA-O 3.49Å; L809-V836 PolarHBondContact N-O 3.45Å; F810-V836 HydrophobicContact CD2-CB 4.15Å; F810-V836 HydrophobicContact CD2-CG2 3.8Å; F810-V836 HydrophobicContact CE2-CB 4Å; F810-V836 HydrophobicContact CE2-CG1 4.36Å; F810-V836 HydrophobicContact CE2-CG2 3.53Å; F810-V836 HydrophobicContact CZ-CB 4.35Å; F810-V836 HydrophobicContact CZ-CG1 4.28Å; F810-V836 HydrophobicContact CZ-CG2 4.26Å; F810-V836 WeakPolarHBondContact O-CB 3.41Å; F810-V836 PolarHBondContact O-N 3.47Å; C812-V836 HydrophobicContact CB-CG2 4.24Å; C812-V836 WeakPolarHBondContact SG-CG2 3.28Å; I834-V836 PolarHBondContact O-N 2.92Å; V836-I839 HydrophobicContact CG1-CG1 4.39Å; V836-W844 HydrophobicContact CG1-CB 4.02Å; V836-W844 HydrophobicContact CG1-CE3 4.44Å; V836-W844 HydrophobicContact CG1-CG 4.4Å; V836-W844 HydrophobicContact CG2-CE3 4.21Å; V836-F857 HydrophobicContact CG2-CZ 4.08Å
837C88.8Confident88.4Confident15 Ų1552.8 Ų52.810%0.10128%0.279CS..EExtended strand (participates in β ladder)trans-112-29.4-174.2-58.30000112.8P806 R835 E845P806-C837 HydrophobicContact CB-CB 4.07Å; P806-C837 HydrophobicContact CG-CB 4.49Å; P806-C837 VanDerWaalsContact CG-SG 3.56Å; R835-C837 PolarHBondContact O-SG 3.47Å; R835-C837 VanDerWaalsContact O-SG 3.35Å; C837-E845 PolarHBondContact N-O 2.92Å
838V86.5Confident88.4Confident50 Ų5049 Ų4930%0.30326%0.259SS..EExtended strand (participates in β ladder)trans-143.7146.2178.7-161.40000109.8K840 E845V838-K840 HydrophobicContact CG1-CG 4.23Å; V838-E845 HydrophobicContact CB-CB 3.76Å; V838-E845 HydrophobicContact CG2-CB 4.02Å; V838-E845 PolarHBondContact N-O 2.99Å; V838-E845 PolarHBondContact O-N 3.29Å
839I86.1Confident88.1Confident85 Ų8551.4 Ų51.444%0.43627%0.27SS..EExtended strand (participates in β ladder)trans-116.2121.8173.7-66.3164.2000107.8L809 F810 V836 W844L809-I839 HydrophobicContact CD1-CD1 3.85Å; L809-I839 HydrophobicContact CD1-CG1 3.83Å; F810-I839 HydrophobicContact CE1-CD1 3.81Å; F810-I839 HydrophobicContact CZ-CD1 4.28Å; V836-I839 HydrophobicContact CG1-CG1 4.39Å; I839-W844 HydrophobicContact CG1-CG 4.32Å
840K77.4Confident87.9Confident101 Ų10155.5 Ų55.544%0.43928%0.278SS..EExtended strand (participates in β ladder)trans-126.581.7178.1-67.1167.4176.9163.10108.5V838 D842 W843 E845 L856V838-K840 HydrophobicContact CG1-CG 4.23Å; K840-D842 PolarHBondContact O-N 2.9Å; K840-W843 CarbonylContact C-O 3.57Å; K840-W843 VanDerWaalsContact C-O 3.31Å; K840-W843 WeakPolarHBondContact CA-O 3.36Å; K840-W843 WeakPolarHBondContact CB-O 3.49Å; K840-W843 PolarHBondContact N-O 3.25Å; K840-W843 PolarHBondContact O-N 3.05Å; K840-E845 IonicContact NZ-OE2 2.66Å; K840-E845 PolarHBondContact NZ-OE2 3Å; K840-L856 HydrophobicContact CD-CD2 4.03Å
841D76.2Confident87.7Confident153 Ų15353.1 Ų53.182%0.81826%0.263SS*.THydrogen-bonded Turntrans52.7-121.9-172.9-55.5-45.5000112W843 W844D841-W843 PolarHBondContact O-N 3.44Å; D841-W844 PolarHBondContact O-NE1 3.25Å
842D83.9Confident87.8Confident125 Ų12557.8 Ų57.867%0.66827%0.273SS*.THydrogen-bonded Turntrans-79.12.2178.2-74-41.7000114K840 A859K840-D842 PolarHBondContact O-N 2.9Å; D842-A859 WeakPolarHBondContact O-CB 3.47Å; D842-A859 PolarHBondContact O-N 3.24Å
843W88.6Confident87.5Confident106 Ų10662.6 Ų62.640%0.40230%0.298SS..EExtended strand (participates in β ladder)trans-119.8123.5176.5-69.775.2000110.8Y818 K840 D841 L856 F857 P858Y818-W843 HydrophobicContact CE1-CZ3 4.49Å; Y818-W843 VanDerWaalsContact OH-CH2 3.22Å; Y818-W843 WeakPolarHBondContact OH-CH2 3.48Å; Y818-W843 VanDerWaalsContact OH-CZ3 3.29Å; Y818-W843 WeakPolarHBondContact OH-CZ3 3.45Å; K840-W843 CarbonylContact C-O 3.57Å; K840-W843 VanDerWaalsContact C-O 3.31Å; K840-W843 WeakPolarHBondContact CA-O 3.36Å; K840-W843 WeakPolarHBondContact CB-O 3.49Å; K840-W843 PolarHBondContact N-O 3.25Å; K840-W843 PolarHBondContact O-N 3.05Å; D841-W843 PolarHBondContact O-N 3.44Å; W843-L856 HydrophobicContact CE3-CB 4.26Å; W843-F857 WeakPolarHBondContact CA-O 3.5Å; W843-P858 HydrophobicContact CD2-CG 4.48Å; W843-P858 HydrophobicContact CE3-CG 4.2Å; W843-P858 HydrophobicContact CH2-CG 3.99Å; W843-P858 HydrophobicContact CZ2-CG 4.21Å; W843-P858 HydrophobicContact CZ3-CG 3.97Å
844W93Very high87.4Confident36 Ų3666.6 Ų66.614%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-107.4142.5-178.9-63.9-5.5000110F810 V836 I839 D841 L856 F857 A859 V862F810-W844 AromaticContact CE2-CE3 3.86Å; F810-W844 HydrophobicContact CE2-CE3 3.86Å; F810-W844 HydrophobicContact CE2-CH2 4.02Å; F810-W844 AromaticContact CE2-CZ3 3.45Å; F810-W844 HydrophobicContact CE2-CZ3 3.45Å; F810-W844 VanDerWaalsContact CE2-CZ3 3.45Å; F810-W844 HydrophobicContact CZ-CD2 4.31Å; F810-W844 AromaticContact CZ-CE3 3.84Å; F810-W844 HydrophobicContact CZ-CE3 3.84Å; F810-W844 AromaticContact CZ-CH2 3.72Å; F810-W844 HydrophobicContact CZ-CH2 3.72Å; F810-W844 HydrophobicContact CZ-CZ2 4.17Å; F810-W844 AromaticContact CZ-CZ3 3.54Å; F810-W844 HydrophobicContact CZ-CZ3 3.54Å; V836-W844 HydrophobicContact CG1-CB 4.02Å; V836-W844 HydrophobicContact CG1-CE3 4.44Å; V836-W844 HydrophobicContact CG1-CG 4.4Å; V836-W844 HydrophobicContact CG2-CE3 4.21Å; I839-W844 HydrophobicContact CG1-CG 4.32Å; D841-W844 PolarHBondContact O-NE1 3.25Å; W844-L856 CarbonylContact O-C 3.54Å; W844-L856 WeakPolarHBondContact O-CA 3.38Å; W844-F857 HydrophobicContact CB-CD2 4.49Å; W844-F857 HydrophobicContact CB-CE1 4.23Å; W844-F857 HydrophobicContact CB-CE2 3.76Å; W844-F857 HydrophobicContact CB-CZ 3.62Å; W844-F857 HydrophobicContact CE3-CE2 4.09Å; W844-F857 HydrophobicContact CE3-CZ 4.41Å; W844-F857 PolarHBondContact N-O 3.01Å; W844-F857 VanDerWaalsContact O-CD1 3.25Å; W844-F857 WeakPolarHBondContact O-CD1 3.49Å; W844-F857 WeakPolarHBondContact O-CE1 3.27Å; W844-F857 PolarHBondContact O-N 2.82Å; W844-A859 HydrophobicContact CD2-CB 3.77Å; W844-A859 HydrophobicContact CE3-CB 4.37Å; W844-A859 HydrophobicContact CG-CB 4.09Å; W844-A859 HydrophobicContact CH2-CB 4.31Å; W844-A859 HydrophobicContact CZ2-CB 3.71Å; W844-V862 HydrophobicContact CE3-CG2 3.71Å; W844-V862 HydrophobicContact CZ3-CG2 3.53Å
845E92.4Very high87.3Confident31 Ų3166.8 Ų66.815%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-102.2126.7175-156.3-17813300108.5C837 V838 K840 K854 G855 L856C837-E845 PolarHBondContact N-O 2.92Å; V838-E845 HydrophobicContact CB-CB 3.76Å; V838-E845 HydrophobicContact CG2-CB 4.02Å; V838-E845 PolarHBondContact N-O 2.99Å; V838-E845 PolarHBondContact O-N 3.29Å; K840-E845 IonicContact NZ-OE2 2.66Å; K840-E845 PolarHBondContact NZ-OE2 3Å; E845-K854 WeakPolarHBondContact OE1-CE 3.41Å; E845-K854 IonicContact OE1-NZ 2.81Å; E845-K854 PolarHBondContact OE1-NZ 3.41Å; E845-G855 WeakPolarHBondContact CA-O 3.46Å; E845-L856 HydrophobicContact CB-CD2 3.82Å; E845-L856 HydrophobicContact CG-CD2 4.05Å; E845-L856 HydrophobicContact CG-CG 4.41Å
846G91.3Very high87.3Confident0 Ų066.4 Ų66.40%032%0.318CS..EExtended strand (participates in β ladder)trans-158.8176.2-176.700000112.8R835 K854 G855R835-G846 CarbonylContact O-C 3.52Å; R835-G846 WeakPolarHBondContact O-CA 3.47Å; G846-K854 VanDerWaalsContact O-CA 3.28Å; G846-K854 WeakPolarHBondContact O-CA 3.27Å; G846-G855 PolarHBondContact N-O 3.02Å; G846-G855 PolarHBondContact O-N 3.22Å
847I92.1Very high87.4Confident47 Ų4766.4 Ų66.424%0.24132%0.318CS..EExtended strand (participates in β ladder)trans-111.6117.7-179.4-59172.1000108.8P806 I834 R835 L853 K854P806-I847 HydrophobicContact CG-CD1 3.77Å; I834-I847 CarbonylContact C-O 3.58Å; I834-I847 VanDerWaalsContact CA-O 3.31Å; I834-I847 WeakPolarHBondContact CA-O 3.47Å; R835-I847 PolarHBondContact N-O 2.68Å; R835-I847 PolarHBondContact O-N 3.12Å; I847-L853 WeakPolarHBondContact CA-O 3.34Å; I847-K854 HydrophobicContact CG1-CB 3.97Å; I847-K854 HydrophobicContact CG1-CG 3.85Å
848C90.7Very high87.5Confident0 Ų066.1 Ų66.10%032%0.316CS..EExtended strand (participates in β ladder)trans-75.1127.9174.3173.10000110L826 I834 R850 T851 K852 L853L826-C848 HydrophobicContact CD1-CB 3.97Å; L826-C848 HydrophobicContact CD2-CB 3.9Å; L826-C848 HydrophobicContact CG-CB 4.19Å; I834-C848 HydrophobicContact CG1-CB 4.18Å; C848-R850 VanDerWaalsContact C-N 3.3Å; C848-R850 PolarHBondContact O-N 2.73Å; C848-R850 PolarHBondContact SG-N 2.84Å; C848-R850 VanDerWaalsContact SG-N 3.44Å; C848-T851 WeakPolarHBondContact CB-OG1 3.39Å; C848-K852 WeakPolarHBondContact O-CA 3.35Å; C848-K852 PolarHBondContact O-N 3.26Å; C848-L853 PolarHBondContact N-O 2.78Å
849E83.9Confident87.7Confident54 Ų5464.4 Ų64.425%0.25231%0.307SS..THydrogen-bonded Turntrans-63.6-32.7178.6-79.3-96.6-167.200113L833 R835 K852L833-E849 HydrophobicContact CB-CB 4.02Å; L833-E849 HydrophobicContact CB-CG 3.93Å; L833-E849 HydrophobicContact CD2-CG 3.74Å; L833-E849 HydrophobicContact CG-CB 4.44Å; L833-E849 HydrophobicContact CG-CG 3.79Å; L833-E849 VanDerWaalsContact O-CB 3.3Å; L833-E849 WeakPolarHBondContact O-CB 3.31Å; L833-E849 PolarHBondContact O-N 3.08Å; R835-E849 IonicContact CZ-OE1 3.82Å; R835-E849 IonicContact NE-OE1 2.72Å; R835-E849 PolarHBondContact NE-OE1 3.42Å; R835-E849 IonicContact NH2-OE1 2.64Å; R835-E849 PolarHBondContact NH2-OE1 3.29Å; E849-K852 VanDerWaalsContact O-CD 3.29Å; E849-K852 WeakPolarHBondContact O-CD 3.48Å; E849-K852 WeakPolarHBondContact O-CE 3.48Å; E849-K852 PolarHBondContact O-NZ 2.85Å; E849-K852 IonicContact OE2-NZ 2.76Å; E849-K852 PolarHBondContact OE2-NZ 3.3Å
850R84.3Confident87.9Confident140 Ų14065.7 Ų65.753%0.52832%0.315SS..THydrogen-bonded Turntrans-74.9-46.6-179.9-179.4-177.757.184.86.1112S829 D832 C848S829-R850 PolarHBondContact OG-NH2 3.49Å; S829-R850 VanDerWaalsContact OG-NH2 3.15Å; D832-R850 WeakPolarHBondContact OD1-CD 3.29Å; D832-R850 IonicContact OD1-CZ 3.16Å; D832-R850 IonicContact OD1-NE 2.72Å; D832-R850 PolarHBondContact OD1-NE 3.31Å; D832-R850 IonicContact OD1-NH2 2.79Å; D832-R850 IonicContact OD2-CZ 2.62Å; D832-R850 IonicContact OD2-NE 3.95Å; D832-R850 PolarHBondContact OD2-NE 2.98Å; D832-R850 IonicContact OD2-NH2 2.72Å; D832-R850 PolarHBondContact OD2-NH2 2.84Å; C848-R850 VanDerWaalsContact C-N 3.3Å; C848-R850 PolarHBondContact O-N 2.73Å; C848-R850 PolarHBondContact SG-N 2.84Å; C848-R850 VanDerWaalsContact SG-N 3.44Å
851T83.4Confident88.6Confident45 Ų4564.7 Ų64.728%0.27631%0.309SS..THydrogen-bonded Turntrans-92.4-15.5-176.262.40000113.3C848 L853C848-T851 WeakPolarHBondContact CB-OG1 3.39Å; T851-L853 PolarHBondContact O-N 3.48Å; T851-L853 PolarHBondContact OG1-N 3.29Å
852K85.7Confident89.3Confident136 Ų13657.9 Ų57.959%0.59127%0.273SS*.  trans53.911.4-168-55.2-56.2-171.7-153.70114.5C848 E849C848-K852 WeakPolarHBondContact O-CA 3.35Å; C848-K852 PolarHBondContact O-N 3.26Å; E849-K852 VanDerWaalsContact O-CD 3.29Å; E849-K852 WeakPolarHBondContact O-CD 3.48Å; E849-K852 WeakPolarHBondContact O-CE 3.48Å; E849-K852 PolarHBondContact O-NZ 2.85Å; E849-K852 IonicContact OE2-NZ 2.76Å; E849-K852 PolarHBondContact OE2-NZ 3.3Å
853L85.7Confident89.7Confident111 Ų11153.7 Ų53.758%0.58125%0.248SC*.  trans-80.3145.5175.7-63.4176.3000110.6L826 I847 C848 T851L826-L853 HydrophobicContact CD1-CB 3.75Å; L826-L853 VanDerWaalsContact CD1-O 3.25Å; L826-L853 WeakPolarHBondContact CD1-O 3.36Å; I847-L853 WeakPolarHBondContact CA-O 3.34Å; C848-L853 PolarHBondContact N-O 2.78Å; T851-L853 PolarHBondContact O-N 3.48Å; T851-L853 PolarHBondContact OG1-N 3.29Å
854K89Confident89.7Confident108 Ų10854 Ų5447%0.4725%0.252SS..EExtended strand (participates in β ladder)trans-99.9136168.3-165.9-166.1-169.3-150.70109.1E845 G846 I847E845-K854 WeakPolarHBondContact OE1-CE 3.41Å; E845-K854 IonicContact OE1-NZ 2.81Å; E845-K854 PolarHBondContact OE1-NZ 3.41Å; G846-K854 VanDerWaalsContact O-CA 3.28Å; G846-K854 WeakPolarHBondContact O-CA 3.27Å; I847-K854 HydrophobicContact CG1-CB 3.97Å; I847-K854 HydrophobicContact CG1-CG 3.85Å
855G90.3Very high89.3Confident4 Ų452.6 Ų52.64%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-174.1178.217300000113.7G824 E845 G846G824-G855 CarbonylContact O-C 3.45Å; G824-G855 WeakPolarHBondContact O-CA 3.47Å; E845-G855 WeakPolarHBondContact CA-O 3.46Å; G846-G855 PolarHBondContact N-O 3.02Å; G846-G855 PolarHBondContact O-N 3.22Å
856L92.4Very high88.4Confident47 Ų4753.3 Ų53.325%0.24626%0.256CS..EExtended strand (participates in β ladder)trans-83.2139.9175.6-68.6166.4000111.5G824 D825 L826 K840 W843 W844 E845G824-L856 PolarHBondContact O-N 3.47Å; D825-L856 CarbonylContact C-O 3.53Å; D825-L856 WeakPolarHBondContact CA-O 3.27Å; D825-L856 WeakPolarHBondContact CB-O 3.46Å; L826-L856 PolarHBondContact N-O 2.86Å; K840-L856 HydrophobicContact CD-CD2 4.03Å; W843-L856 HydrophobicContact CE3-CB 4.26Å; W844-L856 CarbonylContact O-C 3.54Å; W844-L856 WeakPolarHBondContact O-CA 3.38Å; E845-L856 HydrophobicContact CB-CD2 3.82Å; E845-L856 HydrophobicContact CG-CD2 4.05Å; E845-L856 HydrophobicContact CG-CG 4.41Å
857F93.3Very high86.7Confident0 Ų058.4 Ų58.40%029%0.291CS..EExtended strand (participates in β ladder)trans-145.8153.4173.158.7-87.8000110.6Y818 L826 L828 I834 V836 W843 W844 A859 V862Y818-F857 HydrophobicContact CD1-CB 4.26Å; Y818-F857 HydrophobicContact CE1-CB 4.49Å; L826-F857 HydrophobicContact CB-CB 4.42Å; L826-F857 HydrophobicContact CB-CD1 4.26Å; L826-F857 HydrophobicContact CD2-CD1 3.78Å; L826-F857 HydrophobicContact CD2-CE1 4.22Å; L828-F857 HydrophobicContact CD1-CB 3.93Å; L828-F857 HydrophobicContact CD1-CD2 4.02Å; L828-F857 HydrophobicContact CD1-CG 4.07Å; L828-F857 HydrophobicContact CD2-CB 4.45Å; L828-F857 HydrophobicContact CD2-CG 4.45Å; L828-F857 HydrophobicContact CG-CB 4.27Å; I834-F857 HydrophobicContact CG2-CD1 4.38Å; I834-F857 HydrophobicContact CG2-CE1 3.58Å; I834-F857 HydrophobicContact CG2-CZ 3.88Å; V836-F857 HydrophobicContact CG2-CZ 4.08Å; W843-F857 WeakPolarHBondContact CA-O 3.5Å; W844-F857 HydrophobicContact CB-CD2 4.49Å; W844-F857 HydrophobicContact CB-CE1 4.23Å; W844-F857 HydrophobicContact CB-CE2 3.76Å; W844-F857 HydrophobicContact CB-CZ 3.62Å; W844-F857 HydrophobicContact CE3-CE2 4.09Å; W844-F857 HydrophobicContact CE3-CZ 4.41Å; W844-F857 PolarHBondContact N-O 3.01Å; W844-F857 VanDerWaalsContact O-CD1 3.25Å; W844-F857 WeakPolarHBondContact O-CD1 3.49Å; W844-F857 WeakPolarHBondContact O-CE1 3.27Å; W844-F857 PolarHBondContact O-N 2.82Å; F857-A859 PolarHBondContact O-N 3.33Å; F857-V862 HydrophobicContact CD2-CG1 3.72Å; F857-V862 HydrophobicContact CD2-CG2 4.33Å; F857-V862 HydrophobicContact CE2-CB 4.27Å; F857-V862 HydrophobicContact CE2-CG1 3.58Å; F857-V862 HydrophobicContact CE2-CG2 3.69Å
858P92Very high85.2Confident9 Ų963.4 Ų63.46%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-68.8131.1-179.8-19.131.9000112.2Y818 W843 N860 Y861Y818-P858 HydrophobicContact CD2-CG 3.91Å; Y818-P858 VanDerWaalsContact CE1-CD 3.49Å; Y818-P858 HydrophobicContact CE1-CG 4.27Å; Y818-P858 HydrophobicContact CE2-CG 3.6Å; Y818-P858 HydrophobicContact CG-CG 4.41Å; W843-P858 HydrophobicContact CD2-CG 4.48Å; W843-P858 HydrophobicContact CE3-CG 4.2Å; W843-P858 HydrophobicContact CH2-CG 3.99Å; W843-P858 HydrophobicContact CZ2-CG 4.21Å; W843-P858 HydrophobicContact CZ3-CG 3.97Å; P858-N860 WeakPolarHBondContact CB-OD1 3.37Å; P858-N860 PolarHBondContact O-N 3.03Å; P858-N860 VanDerWaalsContact O-N 3.14Å; P858-Y861 HydrophobicContact CB-CD2 3.78Å; P858-Y861 HydrophobicContact CB-CE2 4.3Å; P858-Y861 HydrophobicContact CG-CD2 4.14Å; P858-Y861 HydrophobicContact CG-CE2 4.41Å; P858-Y861 PolarHBondContact O-N 2.93Å
859A89.8Confident83.8Confident15 Ų1565.5 Ų65.512%0.12432%0.324CS..G310 helixtrans-57.8-29.4-178.300000113.4D842 W844 F857 Y861 V862D842-A859 WeakPolarHBondContact O-CB 3.47Å; D842-A859 PolarHBondContact O-N 3.24Å; W844-A859 HydrophobicContact CD2-CB 3.77Å; W844-A859 HydrophobicContact CE3-CB 4.37Å; W844-A859 HydrophobicContact CG-CB 4.09Å; W844-A859 HydrophobicContact CH2-CB 4.31Å; W844-A859 HydrophobicContact CZ2-CB 3.71Å; F857-A859 PolarHBondContact O-N 3.33Å; A859-Y861 VanDerWaalsContact C-N 3.31Å; A859-Y861 PolarHBondContact O-N 3.48Å; A859-V862 WeakPolarHBondContact O-CG2 3.42Å
860N90.2Very high82.5Confident112 Ų11264.2 Ų64.260%0.59932%0.319SS*.G310 helixtrans-77.3-9.2179.563.6-44.6000114.5P858P858-N860 WeakPolarHBondContact CB-OD1 3.37Å; P858-N860 PolarHBondContact O-N 3.03Å; P858-N860 VanDerWaalsContact O-N 3.14Å
861Y91.5Very high81.1Confident79 Ų7966.7 Ų66.731%0.3133%0.329SS..G310 helixtrans-89.8-8.5176-79.8-114.6000113L815 Y816 P817 Y818 P858 A859L815-Y861 PolarHBondContact N-O 3.19Å; Y816-Y861 PolarHBondContact N-O 3.46Å; P817-Y861 WeakPolarHBondContact O-CD1 3.29Å; P817-Y861 WeakPolarHBondContact O-CE1 3.44Å; Y818-Y861 HydrophobicContact CD2-CD1 4.2Å; Y818-Y861 HydrophobicContact CD2-CE1 4.07Å; Y818-Y861 HydrophobicContact CG-CD1 4.32Å; P858-Y861 HydrophobicContact CB-CD2 3.78Å; P858-Y861 HydrophobicContact CB-CE2 4.3Å; P858-Y861 HydrophobicContact CG-CD2 4.14Å; P858-Y861 HydrophobicContact CG-CE2 4.41Å; P858-Y861 PolarHBondContact O-N 2.93Å; A859-Y861 VanDerWaalsContact C-N 3.31Å; A859-Y861 PolarHBondContact O-N 3.48Å
862V92.6Very high79.7Confident11 Ų1167.7 Ų67.77%0.06734%0.338CS..EExtended strand (participates in β ladder)trans-121.2164.6-177.4-60.10000112.6C812 I813 L828 I834 W844 F857 A859C812-V862 HydrophobicContact CB-CB 4.02Å; C812-V862 HydrophobicContact CB-CG2 4.1Å; I813-V862 CarbonylContact O-C 3.59Å; I813-V862 WeakPolarHBondContact O-CA 3.36Å; L828-V862 HydrophobicContact CD1-CG1 3.69Å; I834-V862 HydrophobicContact CD1-CG1 3.99Å; W844-V862 HydrophobicContact CE3-CG2 3.71Å; W844-V862 HydrophobicContact CZ3-CG2 3.53Å; F857-V862 HydrophobicContact CD2-CG1 3.72Å; F857-V862 HydrophobicContact CD2-CG2 4.33Å; F857-V862 HydrophobicContact CE2-CB 4.27Å; F857-V862 HydrophobicContact CE2-CG1 3.58Å; F857-V862 HydrophobicContact CE2-CG2 3.69Å; A859-V862 WeakPolarHBondContact O-CG2 3.42Å
863R91Very high78.1Confident36 Ų3664.5 Ų64.514%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-123.3120.5168.9179.8-177.372.1105.5-5.9109.9C812 I813 L815 L865 E869C812-R863 CarbonylContact C-O 3.58Å; C812-R863 WeakPolarHBondContact CA-O 3.39Å; C812-R863 VanDerWaalsContact CB-O 3.23Å; C812-R863 WeakPolarHBondContact CB-O 3.42Å; I813-R863 HydrophobicContact CG2-CB 4.16Å; I813-R863 PolarHBondContact N-O 3.12Å; I813-R863 PolarHBondContact O-N 3.41Å; L815-R863 HydrophobicContact CD1-CB 3.95Å; L815-R863 HydrophobicContact CD2-CB 3.9Å; L815-R863 HydrophobicContact CG-CB 3.86Å; R863-L865 PolarHBondContact O-N 2.95Å; R863-E869 IonicContact CZ-OE1 3.9Å; R863-E869 VanDerWaalsContact NH1-CD 3.35Å; R863-E869 IonicContact NH1-OE1 3.63Å; R863-E869 PolarHBondContact NH1-OE1 3.13Å; R863-E869 IonicContact NH1-OE2 2.79Å; R863-E869 PolarHBondContact NH1-OE2 3.37Å; R863-E869 IonicContact NH2-OE1 2.83Å; R863-E869 PolarHBondContact NH2-OE1 3.3Å
864K89.3Confident76.2Confident112 Ų11263 Ų6349%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-53.6124.9167.7178.3165.2-178.6164.80110.2F810F810-K864 HydrophobicContact CB-CD 4.19Å; F810-K864 HydrophobicContact CB-CG 4.2Å; F810-K864 HydrophobicContact CD1-CD 3.74Å; F810-K864 VanDerWaalsContact CD1-CE 3.47Å; F810-K864 HydrophobicContact CD1-CG 4.46Å; F810-K864 HydrophobicContact CD2-CB 3.99Å; F810-K864 HydrophobicContact CD2-CD 3.71Å; F810-K864 HydrophobicContact CD2-CG 3.55Å; F810-K864 HydrophobicContact CE1-CD 3.93Å; F810-K864 HydrophobicContact CE2-CB 3.97Å; F810-K864 HydrophobicContact CE2-CD 3.92Å; F810-K864 HydrophobicContact CE2-CG 3.96Å; F810-K864 HydrophobicContact CG-CD 3.6Å; F810-K864 VanDerWaalsContact CG-CE 3.43Å; F810-K864 HydrophobicContact CG-CG 3.83Å; F810-K864 HydrophobicContact CZ-CD 4.03Å
865L83.7Confident74Confident7 Ų765.9 Ų65.94%0.03733%0.331CS..PPolyproline II helixtrans-80.2144174.4-70.9158000109.1S811 I813 L833 R863 E869 M873S811-L865 PolarHBondContact O-N 2.94Å; I813-L865 HydrophobicContact CB-CD1 4.29Å; I813-L865 HydrophobicContact CB-CD2 4.43Å; I813-L865 HydrophobicContact CB-CG 4.42Å; I813-L865 HydrophobicContact CG2-CD2 4.1Å; I813-L865 HydrophobicContact CG2-CG 4.36Å; L833-L865 HydrophobicContact CD1-CD1 3.19Å; R863-L865 PolarHBondContact O-N 2.95Å; L865-E869 HydrophobicContact CB-CB 4.39Å; L865-E869 HydrophobicContact CD2-CB 3.86Å; L865-M873 HydrophobicContact CD2-SD 4.42Å
866S73.6Confident72Confident46 Ų4674 Ų7432%0.32237%0.365SS..PPolyproline II helixtrans-71.8162169600000111.4E868 E869 T870S866-E868 PolarHBondContact O-N 3.39Å; S866-E869 WeakPolarHBondContact CB-OE2 3.42Å; S866-E869 PolarHBondContact N-OE2 3.47Å; S866-E869 PolarHBondContact O-N 3.25Å; S866-E869 WeakPolarHBondContact OG-CB 3.44Å; S866-E869 WeakPolarHBondContact OG-CG 3.37Å; S866-E869 PolarHBondContact OG-N 2.95Å; S866-E869 PolarHBondContact OG-OE2 2.76Å; S866-T870 PolarHBondContact O-N 3.38Å; S866-T870 PolarHBondContact O-OG1 2.91Å
867S57Low69.3Low107 Ų10778.6 Ų78.675%0.74839%0.389SS*.Hα-helixtrans-60.1-28.4175.9-50.70000112.8
868E60.5Low66.3Low153 Ų15386 Ų8672%0.71543%0.428SS*.Hα-helixtrans-76.1-46.9176.2-64.7177.216700111.6S866 T870 R871 S872S866-E868 PolarHBondContact O-N 3.39Å; E868-T870 VanDerWaalsContact C-N 3.28Å; E868-T870 PolarHBondContact O-N 3.1Å; E868-R871 PolarHBondContact O-N 2.65Å; E868-S872 PolarHBondContact O-N 2.95Å; E868-S872 VanDerWaalsContact O-N 3.16Å
869E60.4Low63.6Low44 Ų4492.7 Ų92.721%0.20646%0.462CS..Hα-helixtrans-61.3-37.8177.6-72.9169.5114.600112.1R863 L865 S866 S872 M873R863-E869 IonicContact CZ-OE1 3.9Å; R863-E869 VanDerWaalsContact NH1-CD 3.35Å; R863-E869 IonicContact NH1-OE1 3.63Å; R863-E869 PolarHBondContact NH1-OE1 3.13Å; R863-E869 IonicContact NH1-OE2 2.79Å; R863-E869 PolarHBondContact NH1-OE2 3.37Å; R863-E869 IonicContact NH2-OE1 2.83Å; R863-E869 PolarHBondContact NH2-OE1 3.3Å; L865-E869 HydrophobicContact CB-CB 4.39Å; L865-E869 HydrophobicContact CD2-CB 3.86Å; S866-E869 WeakPolarHBondContact CB-OE2 3.42Å; S866-E869 PolarHBondContact N-OE2 3.47Å; S866-E869 PolarHBondContact O-N 3.25Å; S866-E869 WeakPolarHBondContact OG-CB 3.44Å; S866-E869 WeakPolarHBondContact OG-CG 3.37Å; S866-E869 PolarHBondContact OG-N 2.95Å; S866-E869 PolarHBondContact OG-OE2 2.76Å; E869-S872 WeakPolarHBondContact CA-OG 3.39Å; E869-S872 PolarHBondContact O-N 2.86Å; E869-S872 PolarHBondContact O-OG 3.09Å; E869-M873 PolarHBondContact O-N 3.38Å; E869-M873 VanDerWaalsContact O-N 3.13Å
870T57.5Low60.8Low27 Ų2797.5 Ų97.517%0.16650%0.495CS..Hα-helixtrans-59.8-49.6179.8-52.70000111S866 E868 S872 M873 E874S866-T870 PolarHBondContact O-N 3.38Å; S866-T870 PolarHBondContact O-OG1 2.91Å; E868-T870 VanDerWaalsContact C-N 3.28Å; E868-T870 PolarHBondContact O-N 3.1Å; T870-S872 PolarHBondContact O-N 2.76Å; T870-M873 PolarHBondContact O-N 2.97Å; T870-E874 WeakPolarHBondContact O-CG 3.38Å; T870-E874 PolarHBondContact O-N 3.36Å
871R54.1Low57.8Low192 Ų19295.8 Ų95.873%0.72550%0.503SS*.Hα-helixtrans-61-42.3175.6-75-176172.1-176.6-2.8112.7E868 M873 E874 E875E868-R871 PolarHBondContact O-N 2.65Å; R871-M873 VanDerWaalsContact C-N 3.26Å; R871-M873 PolarHBondContact O-N 2.96Å; R871-E874 PolarHBondContact O-N 2.92Å; R871-E875 PolarHBondContact O-N 3.32Å
872S55.1Low55Low66 Ų6697.2 Ų97.246%0.46253%0.525SS..Hα-helixtrans-68.4-20-177.7740000114.9E868 E869 T870E868-S872 PolarHBondContact O-N 2.95Å; E868-S872 VanDerWaalsContact O-N 3.16Å; E869-S872 WeakPolarHBondContact CA-OG 3.39Å; E869-S872 PolarHBondContact O-N 2.86Å; E869-S872 PolarHBondContact O-OG 3.09Å; T870-S872 PolarHBondContact O-N 2.76Å
873M52.2Low52Low69 Ų69102.7 Ų102.734%0.3456%0.559SS.*Hα-helixtrans-94.8-32.5174.4-70.8-176.267.800112.1I813 L865 E869 T870 R871 K876I813-M873 HydrophobicContact CD1-CE 4.23Å; L865-M873 HydrophobicContact CD2-SD 4.42Å; E869-M873 PolarHBondContact O-N 3.38Å; E869-M873 VanDerWaalsContact O-N 3.13Å; T870-M873 PolarHBondContact O-N 2.97Å; R871-M873 VanDerWaalsContact C-N 3.26Å; R871-M873 PolarHBondContact O-N 2.96Å; M873-K876 PolarHBondContact O-N 3.19Å
874E44.7Very low49Very low80 Ų80108 Ų10837%0.37459%0.59SS.*Hα-helixtrans-65.5-37172-71.8176.2151.100111.5R835 T870 R871 K876R835-E874 IonicContact CZ-OE1 3.72Å; R835-E874 IonicContact NH1-OE1 3.69Å; R835-E874 PolarHBondContact NH1-OE1 3.02Å; R835-E874 VanDerWaalsContact NH1-OE1 3.12Å; R835-E874 IonicContact NH2-OE1 2.62Å; R835-E874 PolarHBondContact NH2-OE1 2.88Å; T870-E874 WeakPolarHBondContact O-CG 3.38Å; T870-E874 PolarHBondContact O-N 3.36Å; R871-E874 PolarHBondContact O-N 2.92Å; E874-K876 PolarHBondContact O-N 3.32Å
875E42.6Very low46.3Very low167 Ų167109 Ų10978%0.7860%0.6SS**THydrogen-bonded Turntrans-70.1-6.2172.8-82.9-175.9140.900115R871R871-E875 PolarHBondContact O-N 3.32Å
876K48.5Very low43.6Very low175 Ų175115.8 Ų115.876%0.76163%0.632SS**THydrogen-bonded Turntrans-110.611.3-170.7-143.2-177.4-179.5-173.20115.1M873 E874M873-K876 PolarHBondContact O-N 3.19Å; E874-K876 PolarHBondContact O-N 3.32Å
877L34.9Very low41.4Very low143 Ų143120.5 Ų120.575%0.74965%0.651SS**SBendtrans-122.9-2.8-177.7-76.1167.2000115.2
878D31.9Very low40.2Very low156 Ų156121.6 Ų121.683%0.83465%0.648SS**SBendtrans-105.119.4-179.5-83.2-31.4000114.5
879I34.2Very low38.8Very low149 Ų149122.3 Ų122.376%0.76465%0.651SS**SBendtrans-131.5138.4177.3-56.7-179.4000110.9
880S31.7Very low37.2Very low117 Ų117125.9 Ų125.982%0.81867%0.672SS**  trans72.172.217776.70000118
881G26.4Very low35.8Very low75 Ų75130.9 Ų130.977%0.77370%0.697SS**  trans-94.8116.3144.200000109.8
882S32.3Very low34.5Very low109 Ų109127.6 Ų127.676%0.76270%0.699SS**  trans-176128.7154.9-82.90000114.3
883T31.6Very low33.4Very low127 Ų127131.8 Ų131.878%0.77972%0.715SS**  trans60.295.9145.857.10000121.2
884N27Very low32.2Very low148 Ų148135.6 Ų135.679%0.79174%0.736SS**  47.4138.4111-76.84.9000123.5
885N31.6Very low32Very low131 Ų131136.8 Ų136.870%0.70175%0.751SS**  trans106.4107.6142.9-68.6-7.3000120.8
886Q27.9Very low31.7Very low150 Ų150134 Ų13470%0.70175%0.747SS**  75.2117.8126.6-74-179.1-6400122.6
887M27.8Very low30.7Very low145 Ų145130.1 Ų130.171%0.71474%0.742SS**  83130.2124.4-78.8162.5157.500122.2
888D31.7Very low30.4Very low131 Ų131130.8 Ų130.870%0.70175%0.746SS**  trans76.3101139.8-57.2-11.2000122.1
889H30.7Very low30.3Very low167 Ų167128 Ų12877%0.77374%0.739SS**  51.7131.3119.6-91.4-67.2000123.1
890N27.6Very low30Very low120 Ų120129.6 Ų129.664%0.64274%0.74SS**  trans91.3116.8140.8-703.8000121.6
891D27.2Very low30Very low131 Ų131131.4 Ų131.470%0.70174%0.739SS**  74.5107123.7-64.8-20.4000123
892T26.4Very low30.2Very low124 Ų124133.9 Ų133.976%0.76174%0.739SS**  trans85.7152131.2-37.60000119.3
893I31.8Very low30.3Very low154 Ų154133.6 Ų133.679%0.7973%0.734SS**  trans85.683.1163.3-41.7-178.1000118
894N28.2Very low30.3Very low149 Ų149134.8 Ų134.880%0.79774%0.735SS**  13161.6122.1-115.8-11.3000121.6
895P40.5Very low30.6Very low104 Ų104132.6 Ų132.668%0.67573%0.731SS**  -111.3-165.5-113.946.2-30.6000112.2
896P35.1Very low30.5Very low108 Ų108131.7 Ų131.770%0.70174%0.735SS**  -160.9169.469.142-18.2000120.3
897S29.2Very low30.9Very low94 Ų94129.9 Ų129.966%0.65774%0.736SS**  trans66125.6134.961.90000127
898L27.1Very low31Very low158 Ų158131.5 Ų131.583%0.82774%0.739SS**  trans64.9110.9133.3-83.399.4000121.8
899S29.4Very low30.9Very low98 Ų98132 Ų13269%0.68574%0.741SS**  123.4166.589.5680000110.4
900K29.1Very low30.7Very low182 Ų182130.3 Ų130.379%0.79174%0.735SS**  cis-170.1170.618.1-146171.3-173.9175.30110.4
901I32.2Very low30.6Very low155 Ų155132.4 Ų132.480%0.79574%0.741SS**  trans97144.1154.6-59.9150.7000120
902T29.5Very low30.9Very low126 Ų126130.7 Ų130.777%0.77375%0.745SS**  trans-126.4-163.1-167.112.90000109.9
903P35.3Very low31.1Very low103 Ų103131.6 Ų131.667%0.66975%0.745SS**  cis-131.5-165.9-4434.4-13.7000112.7
904I32.1Very low31Very low153 Ų153131.2 Ų131.279%0.78574%0.744SS**  trans152.8139137.7-77.7157000115.7
905S32.1Very low31.1Very low101 Ų101130.3 Ų130.371%0.70674%0.739SS**  trans-5.3147.2165.6-43.90000122.4
906S29.6Very low30.5Very low113 Ų113132.4 Ų132.479%0.7974%0.744SS**  cis67.4149.340.6-63.90000115.9
907P37.2Very low30.2Very low111 Ų111133.5 Ų133.572%0.72175%0.753SS**  cis-144.5-167.7-935.2-11.2000117.1
908K30.2Very low30.2Very low180 Ų180137.1 Ų137.178%0.78376%0.762SS**  102.5143.8129.5-117.2-178.3-174-177.70124.2
909L28.3Very low30.2Very low142 Ų142133.7 Ų133.774%0.74376%0.756SS**  trans81.4156.7154.9-58.4162.7000120.2
910M27.2Very low30.2Very low130 Ų130133.9 Ų133.964%0.6476%0.758SS**  cis-177.5139.5-31.6-172.4149.3161.200111.4
911E25.8Very low30.1Very low165 Ų165133 Ų13377%0.77176%0.761SS**  trans65.5167.3151-80.5174.5174.900125.7
912A33.5Very low30Very low94 Ų94134 Ų13478%0.77777%0.766SS**  trans72.9115.9174.200000117.7
913N29.4Very low29.9Very low144 Ų144132.8 Ų132.877%0.7776%0.763SS**  cis90.5146.921.8-150.67.9000115.4
914L30.4Very low29.6Very low145 Ų145133.3 Ų133.376%0.75977%0.769SS**  trans80.1157-170.8-72.874.5000117.4
915N30.1Very low29.2Very low131 Ų131131 Ų13170%0.70177%0.767SS**  cis-176154.4-44.6-104.8-16.2000110.5
916N28.5Very low28.8Very low147 Ų147133 Ų13379%0.78677%0.77SS**  trans56.9115.4156.9-72.3-11.6000123
917C28.1Very low28.5Very low131 Ų131133.4 Ų133.489%0.88577%0.768SS**  -175.4100.4118.3-120.80000109.4
918M28.8Very low27.9Very low171 Ų171133.4 Ų133.484%0.84277%0.77SS**  66.3110.976.4-87.3-93.2-109.900117.1
919A28Very low27.8Very low85 Ų85129.9 Ų129.970%0.70277%0.768SS**  trans54.8122.8142.300000119.1
920S29.2Very low27.7Very low103 Ų103129.9 Ų129.972%0.7277%0.774SS**  -178.5156.461-106.80000112.3
921L26.6Very low27.9Very low164 Ų164129 Ų12986%0.85978%0.781SS**  trans62.5116.7161.9-58.7160.9000117.4
922L30.5Very low28.3Very low174 Ų174126.5 Ų126.591%0.91178%0.782SS**  -170.6132.5118.8-100.2163000111.1
923S26.9Very low28.1Very low101 Ų101128.2 Ų128.271%0.70679%0.788SS**  trans-76.1175.3173.2490000112.5
924S28.3Very low28.5Very low114 Ų114123.8 Ų123.880%0.79778%0.776SS**  trans94.8101.6162.6-52.10000117.2
925S24.1Very low28.9Very low105 Ų105120 Ų12073%0.73476%0.759SS**  trans-57.6132.3159.248.50000113.6
926N24.3Very low29.8Very low143 Ų143119.2 Ų119.277%0.76575%0.753SS**  177.1142.5123.8-94.9-24.9000115.3
927T23.4Very low31Very low122 Ų122114.7 Ų114.775%0.74873%0.731SS**  trans68.4133.7145.552.50000124.3
928S24Very low32.1Very low110 Ų110109.6 Ų109.677%0.76970%0.697SS**  trans71.7110.9144.160.40000123.4
929S28.8Very low32.9Very low106 Ų106107.6 Ų107.674%0.74169%0.694SS**  trans-175.1111.4139.155.30000110.8
930T25.5Very low34Very low142 Ų142110.4 Ų110.487%0.87169%0.693SS**  55.8103.289.9410000118.5
931S31.8Very low35.6Very low113 Ų113109.6 Ų109.679%0.7969%0.685SS**  trans-179.3151.3157.256.80000111.9
932S34.3Very low38.1Very low112 Ų112104.8 Ų104.878%0.78366%0.658SS**  cis-179.3118.4-4448.70000108.3
933S30.2Very low40.7Very low130 Ų130100.2 Ų100.291%0.90963%0.631SS**  trans-71.4128.9179.1-58.50000112.2
934G36.3Very low43.6Very low50 Ų5095.4 Ų95.452%0.51560%0.598SS.*  trans-161.9150.1-178.400000115.3P973G934-P973 WeakPolarHBondContact O-CG 3.17Å
935V40.4Very low46.6Very low67 Ų6796.4 Ų96.441%0.40658%0.584SS.*PPolyproline II helixtrans-76.4133.91761740000110.3K970 R971 W992V935-K970 HydrophobicContact CG1-CB 4.03Å; V935-R971 WeakPolarHBondContact CG1-O 3.41Å; V935-W992 HydrophobicContact CG1-CH2 4.16Å
936I48.1Very low49.7Very low113 Ų11391.6 Ų91.658%0.57955%0.55SS*.EExtended strand (participates in β ladder)trans-84.9121.9177.4-57175.1000108.8R971I936-R971 PolarHBondContact N-O 3.18Å; I936-R971 PolarHBondContact O-N 3.46Å
937V52.9Low52.8Low53 Ų5389.4 Ų89.432%0.32154%0.537SS..EExtended strand (participates in β ladder)trans-88.3133.4171.9-178.10000108.7T939V937-T939 PolarHBondContact O-N 2.72Å
938C51Low55.7Low23 Ų2385.1 Ų85.116%0.15551%0.514CS..  trans-77.4109.1177.8-73.50000110Q940 E942 R969 R971C938-Q940 PolarHBondContact O-N 2.84Å; C938-E942 PolarHBondContact SG-OE2 3.38Å; C938-R969 PolarHBondContact N-O 3.17Å; C938-R969 VanDerWaalsContact N-O 3.07Å; C938-R971 PolarHBondContact SG-NE 3.05Å; C938-R971 VanDerWaalsContact SG-NE 3.4Å
939T45.8Very low58.8Low129 Ų12983.6 Ų83.679%0.79150%0.502SS*.SBendtrans-78.2-4.4177.752.60000113.9V937V937-T939 PolarHBondContact O-N 2.72Å
940Q51.4Low61.7Low144 Ų14479.9 Ų79.967%0.67347%0.472SS*.SBendtrans-127149.7171-66.9-166.21.300110.8C938 E942C938-Q940 PolarHBondContact O-N 2.84Å; Q940-E942 VanDerWaalsContact C-N 3.32Å; Q940-E942 PolarHBondContact O-N 3.22Å
941P62.9Low64.7Low87 Ų8781.3 Ų81.357%0.56547%0.466SS*.  trans-72.884.5178.730.6-35.4000111F943P941-F943 HydrophobicContact CB-CE2 4.48Å; P941-F943 WeakPolarHBondContact O-CD2 3.29Å; P941-F943 WeakPolarHBondContact O-CE2 3.44Å
942E78.6Confident67.4Low63 Ų6377.3 Ų77.329%0.29444%0.44SS..  trans-82.9134.8173.8-65.5173.4102.600110.4C938 Q940 L968 R971C938-E942 PolarHBondContact SG-OE2 3.38Å; Q940-E942 VanDerWaalsContact C-N 3.32Å; Q940-E942 PolarHBondContact O-N 3.22Å; E942-L968 HydrophobicContact CB-CB 4.39Å; E942-L968 HydrophobicContact CB-CD1 4.19Å; E942-L968 WeakPolarHBondContact O-CB 3.21Å; E942-L968 PolarHBondContact O-N 2.68Å; E942-R971 IonicContact OE1-CZ 2.8Å; E942-R971 IonicContact OE1-NH2 3.88Å; E942-R971 PolarHBondContact OE1-NH2 2.71Å; E942-R971 IonicContact OE2-CZ 2.65Å; E942-R971 IonicContact OE2-NE 3.63Å; E942-R971 IonicContact OE2-NH2 3.6Å; E942-R971 PolarHBondContact OE2-NH2 2.96Å
943F86.5Confident69.6Low77 Ų7777.9 Ų77.934%0.33844%0.438SS..EExtended strand (participates in β ladder)trans-105.4142.8177.2-63.3-89.2000110.2P941 V965 Q967 Q982 I1001P941-F943 HydrophobicContact CB-CE2 4.48Å; P941-F943 WeakPolarHBondContact O-CD2 3.29Å; P941-F943 WeakPolarHBondContact O-CE2 3.44Å; F943-V965 HydrophobicContact CB-CG1 4.19Å; F943-V965 HydrophobicContact CD1-CG1 3.96Å; F943-Q967 HydrophobicContact CD1-CB 4.09Å; F943-Q967 HydrophobicContact CD1-CG 4.4Å; F943-Q967 HydrophobicContact CE1-CB 3.99Å; F943-Q967 HydrophobicContact CE1-CG 4.06Å; F943-Q967 HydrophobicContact CZ-CG 4.49Å; F943-Q982 HydrophobicContact CE1-CG 4.4Å; F943-I1001 HydrophobicContact CB-CB 4.3Å; F943-I1001 HydrophobicContact CB-CD1 4.03Å; F943-I1001 HydrophobicContact CB-CG1 4.39Å; F943-I1001 PolarHBondContact O-N 3.04Å
944A87Confident71.7Confident0 Ų074.7 Ų74.70%042%0.416CS..EExtended strand (participates in β ladder)trans-126.1142.5171.900000110.4V965 V966 L968 W977 V998 R999A944-V965 CarbonylContact O-C 3.57Å; A944-V965 WeakPolarHBondContact O-CA 3.5Å; A944-V966 PolarHBondContact N-O 3.48Å; A944-V966 PolarHBondContact O-N 2.67Å; A944-L968 HydrophobicContact CB-CD1 4.21Å; A944-L968 HydrophobicContact CB-CD2 3.95Å; A944-L968 HydrophobicContact CB-CG 4.15Å; A944-W977 HydrophobicContact CB-CZ3 4.39Å; A944-V998 HydrophobicContact CB-CB 3.76Å; A944-V998 HydrophobicContact CB-CG1 4.47Å; A944-V998 HydrophobicContact CB-CG2 3.69Å; A944-R999 CarbonylContact C-O 3.41Å; A944-R999 VanDerWaalsContact CA-O 3.32Å; A944-R999 WeakPolarHBondContact CA-O 3.47Å
945R90.6Very high73.6Confident136 Ų13677.6 Ų77.651%0.51344%0.436SS..EExtended strand (participates in β ladder)trans-100.7127.4178.6-167.6-172.6-44.9-141.8-0.3109.1I947 Q964 V998 R999 I1001R945-I947 PolarHBondContact O-N 3.1Å; R945-Q964 CarbonylContact C-O 3.58Å; R945-Q964 WeakPolarHBondContact CA-O 3.36Å; R945-V998 CarbonylContact O-C 3.59Å; R945-V998 VanDerWaalsContact O-CA 3.27Å; R945-V998 WeakPolarHBondContact O-CA 3.3Å; R945-R999 PolarHBondContact N-O 3.07Å; R945-R999 PolarHBondContact O-N 3.43Å; R945-I1001 HydrophobicContact CB-CD1 4.19Å; R945-I1001 HydrophobicContact CB-CG1 4.19Å
946V89.7Confident75.5Confident3 Ų375.8 Ų75.82%0.01843%0.431CS..EExtended strand (participates in β ladder)trans-63.1127.2176.3-176.50000109.9A948 L960 Q961 G963 Q964 V966 F997 V998V946-A948 WeakPolarHBondContact CG1-O 3.49Å; V946-L960 HydrophobicContact CG1-CB 3.71Å; V946-L960 HydrophobicContact CG1-CD1 4.36Å; V946-L960 HydrophobicContact CG2-CB 3.92Å; V946-L960 HydrophobicContact CG2-CD1 4.17Å; V946-L960 HydrophobicContact CG2-CD2 3.93Å; V946-L960 HydrophobicContact CG2-CG 4.24Å; V946-Q961 VanDerWaalsContact CB-O 3.3Å; V946-Q961 WeakPolarHBondContact CB-O 3.4Å; V946-Q961 VanDerWaalsContact CG1-C 3.48Å; V946-Q961 VanDerWaalsContact CG1-O 3.28Å; V946-Q961 WeakPolarHBondContact CG1-O 3.38Å; V946-G963 PolarHBondContact O-N 2.79Å; V946-Q964 HydrophobicContact CB-CB 4.31Å; V946-Q964 HydrophobicContact CG2-CB 3.77Å; V946-Q964 PolarHBondContact N-O 2.68Å; V946-V966 HydrophobicContact CG2-CG2 3.79Å; V946-F997 CarbonylContact C-O 3.56Å; V946-F997 WeakPolarHBondContact CA-O 3.35Å; V946-F997 WeakPolarHBondContact CG1-O 3.5Å; V946-V998 HydrophobicContact CG2-CG1 4.06Å
947I88.8Confident77.4Confident98 Ų9872.4 Ų72.450%0.50341%0.412SS..  trans-106.4-22.7178.356.7170.9000113R945 F997 R999R945-I947 PolarHBondContact O-N 3.1Å; I947-F997 WeakPolarHBondContact CG1-O 3.04Å; I947-F997 PolarHBondContact N-O 3.38Å; I947-R999 HydrophobicContact CG2-CB 3.79Å
948A84.8Confident79.1Confident31 Ų3170 Ų7026%0.25640%0.398SS..SBendtrans-139.7151179.400000111V946 F997V946-A948 WeakPolarHBondContact CG1-O 3.49Å; A948-F997 HydrophobicContact CB-CD1 3.68Å; A948-F997 HydrophobicContact CB-CE1 4.25Å; A948-F997 PolarHBondContact N-O 2.78Å
949P89.9Confident81Confident79 Ų7971.5 Ų71.551%0.51341%0.406SS..  trans-72133.4177.429.3-31.9000110.8L960 P962 F997P949-L960 WeakPolarHBondContact CA-O 3.26Å; P949-P962 HydrophobicContact CB-CG 4.39Å; P949-P962 HydrophobicContact CG-CG 4.46Å; P949-F997 WeakPolarHBondContact O-CD1 3.34Å; P949-F997 VanDerWaalsContact O-CE1 3.24Å; P949-F997 WeakPolarHBondContact O-CE1 3.46Å
950Y89.2Confident83.1Confident27 Ų2765.3 Ų65.311%0.10637%0.368CS..BIsolated β-bridgetrans-126.6131.6174.8177.6-114000109.6Q957 L958 T959 L960 W976 F993 P994 F997Y950-Q957 HydrophobicContact CE1-CB 4.39Å; Y950-Q957 VanDerWaalsContact OH-CD 3.31Å; Y950-Q957 PolarHBondContact OH-OE1 3.45Å; Y950-L958 WeakPolarHBondContact CD1-O 3.43Å; Y950-T959 CarbonylContact O-C 3.55Å; Y950-T959 WeakPolarHBondContact O-CA 3.49Å; Y950-T959 WeakPolarHBondContact O-CG2 3.39Å; Y950-L960 HydrophobicContact CD1-CG 4.42Å; Y950-L960 PolarHBondContact N-O 3.01Å; Y950-L960 PolarHBondContact O-N 3.41Å; Y950-W976 VanDerWaalsContact OH-CH2 3.27Å; Y950-W976 WeakPolarHBondContact OH-CH2 3.44Å; Y950-W976 WeakPolarHBondContact OH-CZ3 3.32Å; Y950-F993 HydrophobicContact CD1-CB 3.92Å; Y950-F993 HydrophobicContact CE1-CB 4.15Å; Y950-P994 HydrophobicContact CD2-CG 4.28Å; Y950-P994 HydrophobicContact CE2-CG 3.91Å; Y950-F997 HydrophobicContact CD2-CD1 4.46Å; Y950-F997 HydrophobicContact CD2-CD2 4.18Å; Y950-F997 HydrophobicContact CD2-CE1 4.17Å; Y950-F997 AromaticContact CD2-CE2 3.9Å; Y950-F997 HydrophobicContact CD2-CE2 3.9Å; Y950-F997 HydrophobicContact CD2-CG 4.47Å; Y950-F997 AromaticContact CD2-CZ 3.89Å; Y950-F997 HydrophobicContact CD2-CZ 3.89Å; Y950-F997 HydrophobicContact CG-CD1 4.41Å; Y950-F997 HydrophobicContact CG-CD2 4.37Å; Y950-F997 HydrophobicContact CG-CG 4.33Å
951K89.2Confident84.7Confident172 Ų17263.3 Ų63.375%0.74836%0.359SS*.  trans-105.5124.3178.8-170.4178179.3-175.10109.4T953K951-T953 PolarHBondContact O-N 3.5Å
952A87Confident85.8Confident30 Ų3062.7 Ų62.725%0.24835%0.354CS..  trans-58.2129.9175.600000110.9Q957 T959A952-Q957 HydrophobicContact CB-CB 3.82Å; A952-Q957 VanDerWaalsContact CB-O 3.22Å; A952-Q957 WeakPolarHBondContact CB-O 3.45Å; A952-T959 VanDerWaalsContact CB-OG1 3.27Å; A952-T959 WeakPolarHBondContact CB-OG1 3.48Å; A952-T959 PolarHBondContact N-OG1 3.08Å; A952-T959 VanDerWaalsContact N-OG1 3.11Å
953T80.5Confident85.8Confident123 Ų12362.3 Ų62.376%0.75537%0.367SS*.SBendtrans-99.1-16.9177.7-44.20000111.2K951 Q957K951-T953 PolarHBondContact O-N 3.5Å; T953-Q957 VanDerWaalsContact CA-OE1 3.32Å; T953-Q957 PolarHBondContact OG1-OE1 3.16Å
954S74.9Confident85.9Confident64 Ų6460 Ų6045%0.44836%0.358SS..SBendtrans-141.8165172.771.90000111.4G956 Q957S954-G956 PolarHBondContact O-N 3.13Å; S954-Q957 WeakPolarHBondContact O-CB 3.31Å; S954-Q957 PolarHBondContact O-N 3.32Å
955A76.5Confident85.9Confident111 Ų11162 Ų6292%0.91737%0.37SS*.THydrogen-bonded Turntrans-65.1-19.8-176.800000114.1Q957A955-Q957 VanDerWaalsContact C-N 3.3Å
956G79.5Confident85.9Confident29 Ų2955.6 Ų55.630%0.29935%0.346SS..THydrogen-bonded Turntrans-85.64.7174.500000114.4S954 G991 W992S954-G956 PolarHBondContact O-N 3.13Å; G956-G991 WeakPolarHBondContact O-CA 3.33Å; G956-W992 PolarHBondContact O-N 3.05Å
957Q89.3Confident85.8Confident41 Ų4157.7 Ų57.719%0.19236%0.355CS..BIsolated β-bridgetrans-109144.3-179.2-69.3171.2-6.300111.8Y950 A952 T953 S954 A955 W976 W992Y950-Q957 HydrophobicContact CE1-CB 4.39Å; Y950-Q957 VanDerWaalsContact OH-CD 3.31Å; Y950-Q957 PolarHBondContact OH-OE1 3.45Å; A952-Q957 HydrophobicContact CB-CB 3.82Å; A952-Q957 VanDerWaalsContact CB-O 3.22Å; A952-Q957 WeakPolarHBondContact CB-O 3.45Å; T953-Q957 VanDerWaalsContact CA-OE1 3.32Å; T953-Q957 PolarHBondContact OG1-OE1 3.16Å; S954-Q957 WeakPolarHBondContact O-CB 3.31Å; S954-Q957 PolarHBondContact O-N 3.32Å; A955-Q957 VanDerWaalsContact C-N 3.3Å; Q957-W976 HydrophobicContact CG-CH2 4.45Å; Q957-W976 HydrophobicContact CG-CZ3 3.98Å; Q957-W976 VanDerWaalsContact NE2-CH2 3.28Å; Q957-W992 CarbonylContact C-O 3.54Å; Q957-W992 WeakPolarHBondContact CA-O 3.29Å; Q957-W992 WeakPolarHBondContact CB-O 3.11Å
958L87.7Confident85.8Confident4 Ų453.2 Ų53.22%0.02133%0.333CS..  trans-91.6127.5-178.4-16664.6000110.4Y950 L960 V966 L981 Q989 W992 F993Y950-L958 WeakPolarHBondContact CD1-O 3.43Å; L958-L960 HydrophobicContact CB-CD2 4.36Å; L958-L960 HydrophobicContact CD2-CD2 3.73Å; L958-L960 HydrophobicContact CG-CD2 3.93Å; L958-V966 HydrophobicContact CD2-CG1 3.74Å; L958-L981 HydrophobicContact CD1-CB 4.15Å; L958-L981 HydrophobicContact CD2-CB 4.12Å; L958-Q989 HydrophobicContact CD1-CB 3.48Å; L958-Q989 VanDerWaalsContact CD1-CB 3.48Å; L958-Q989 WeakPolarHBondContact CD1-O 3.43Å; L958-W992 PolarHBondContact N-O 2.9Å; L958-F993 HydrophobicContact CB-CD1 3.97Å; L958-F993 HydrophobicContact CD2-CD1 3.88Å; L958-F993 HydrophobicContact CD2-CE1 4.04Å
959T90.2Very high85.7Confident53 Ų5356.8 Ų56.833%0.32534%0.339SS..  trans-79.8124.3171.8-67.60000109.6Y950 A952Y950-T959 CarbonylContact O-C 3.55Å; Y950-T959 WeakPolarHBondContact O-CA 3.49Å; Y950-T959 WeakPolarHBondContact O-CG2 3.39Å; A952-T959 VanDerWaalsContact CB-OG1 3.27Å; A952-T959 WeakPolarHBondContact CB-OG1 3.48Å; A952-T959 PolarHBondContact N-OG1 3.08Å; A952-T959 VanDerWaalsContact N-OG1 3.11Å
960L89.7Confident85.4Confident0 Ų054 Ų540%032%0.319CS..BIsolated β-bridgetrans-111.3144.6-177.2-52.8-179.8000111.9V946 P949 Y950 L958 V966 F993 F997 V998V946-L960 HydrophobicContact CG1-CB 3.71Å; V946-L960 HydrophobicContact CG1-CD1 4.36Å; V946-L960 HydrophobicContact CG2-CB 3.92Å; V946-L960 HydrophobicContact CG2-CD1 4.17Å; V946-L960 HydrophobicContact CG2-CD2 3.93Å; V946-L960 HydrophobicContact CG2-CG 4.24Å; P949-L960 WeakPolarHBondContact CA-O 3.26Å; Y950-L960 HydrophobicContact CD1-CG 4.42Å; Y950-L960 PolarHBondContact N-O 3.01Å; Y950-L960 PolarHBondContact O-N 3.41Å; L958-L960 HydrophobicContact CB-CD2 4.36Å; L958-L960 HydrophobicContact CD2-CD2 3.73Å; L958-L960 HydrophobicContact CG-CD2 3.93Å; L960-V966 HydrophobicContact CD2-CG2 3.82Å; L960-F993 HydrophobicContact CD1-CB 3.68Å; L960-F993 HydrophobicContact CD1-CD2 3.81Å; L960-F993 HydrophobicContact CD1-CG 3.74Å; L960-F993 HydrophobicContact CD2-CD1 4.36Å; L960-F993 HydrophobicContact CD2-CG 4.36Å; L960-F993 HydrophobicContact CG-CB 4.17Å; L960-F993 HydrophobicContact CG-CG 4.37Å; L960-F997 HydrophobicContact CD1-CB 3.82Å; L960-V998 HydrophobicContact CD1-CG1 3.88Å
961Q85.7Confident85.2Confident102 Ų10255.3 Ų55.348%0.47732%0.324SS..  trans-127.2137.8171.9-65.6-64.1-25.600109.8V946 G963 Q964V946-Q961 VanDerWaalsContact CB-O 3.3Å; V946-Q961 WeakPolarHBondContact CB-O 3.4Å; V946-Q961 VanDerWaalsContact CG1-C 3.48Å; V946-Q961 VanDerWaalsContact CG1-O 3.28Å; V946-Q961 WeakPolarHBondContact CG1-O 3.38Å; Q961-G963 PolarHBondContact O-N 3.48Å; Q961-Q964 HydrophobicContact CB-CG 4.25Å; Q961-Q964 WeakPolarHBondContact O-CB 3.43Å; Q961-Q964 WeakPolarHBondContact O-CG 3.42Å; Q961-Q964 PolarHBondContact O-N 3.43Å; Q961-Q964 VanDerWaalsContact O-N 3.13Å; Q961-Q964 PolarHBondContact O-OE1 2.97Å
962P85.6Confident84.5Confident73 Ų7348.4 Ų48.447%0.47430%0.297SS..THydrogen-bonded Turntrans-49134.3-179.2-29.235.8000113.1P949P949-P962 HydrophobicContact CB-CG 4.39Å; P949-P962 HydrophobicContact CG-CG 4.46Å
963G79.3Confident83.5Confident55 Ų5550.1 Ų50.157%0.56731%0.306SS*.THydrogen-bonded Turntrans87.8-13-179.400000115.7V946 Q961V946-G963 PolarHBondContact O-N 2.79Å; Q961-G963 PolarHBondContact O-N 3.48Å
964Q88.2Confident82.9Confident28 Ų2851.8 Ų51.813%0.13130%0.303CS..  trans-61.4155.2168.7-72.6174.3-29.700111.1R945 V946 Q961 L981R945-Q964 CarbonylContact C-O 3.58Å; R945-Q964 WeakPolarHBondContact CA-O 3.36Å; V946-Q964 HydrophobicContact CB-CB 4.31Å; V946-Q964 HydrophobicContact CG2-CB 3.77Å; V946-Q964 PolarHBondContact N-O 2.68Å; Q961-Q964 HydrophobicContact CB-CG 4.25Å; Q961-Q964 WeakPolarHBondContact O-CB 3.43Å; Q961-Q964 WeakPolarHBondContact O-CG 3.42Å; Q961-Q964 PolarHBondContact O-N 3.43Å; Q961-Q964 VanDerWaalsContact O-N 3.13Å; Q961-Q964 PolarHBondContact O-OE1 2.97Å; Q964-L981 HydrophobicContact CB-CD1 3.92Å; Q964-L981 HydrophobicContact CG-CD1 4.24Å
965V88Confident83.1Confident44 Ų4449 Ų4927%0.26728%0.283SS..EExtended strand (participates in β ladder)trans-109.3138.7172.4179.30000108.6F943 A944 Q982 I1001F943-V965 HydrophobicContact CB-CG1 4.19Å; F943-V965 HydrophobicContact CD1-CG1 3.96Å; A944-V965 CarbonylContact O-C 3.57Å; A944-V965 WeakPolarHBondContact O-CA 3.5Å; V965-Q982 HydrophobicContact CB-CB 4.25Å; V965-Q982 HydrophobicContact CG1-CB 4.39Å; V965-Q982 WeakPolarHBondContact O-CB 3.41Å; V965-Q982 PolarHBondContact O-N 3.33Å; V965-I1001 HydrophobicContact CG1-CD1 4.21Å; V965-I1001 HydrophobicContact CG2-CD1 4.39Å
966V89Confident83.5Confident0 Ų047.9 Ų47.90%026%0.256CS..EExtended strand (participates in β ladder)trans-126.3129.6178.4-161.60000108.5A944 V946 L958 L960 E980 L981 F993 V998A944-V966 PolarHBondContact N-O 3.48Å; A944-V966 PolarHBondContact O-N 2.67Å; V946-V966 HydrophobicContact CG2-CG2 3.79Å; L958-V966 HydrophobicContact CD2-CG1 3.74Å; L960-V966 HydrophobicContact CD2-CG2 3.82Å; V966-E980 WeakPolarHBondContact CA-O 3.43Å; V966-E980 WeakPolarHBondContact CG1-O 3.42Å; V966-L981 HydrophobicContact CG2-CD1 4.1Å; V966-F993 HydrophobicContact CB-CE1 4.4Å; V966-F993 HydrophobicContact CB-CZ 4.19Å; V966-F993 HydrophobicContact CG1-CE1 3.55Å; V966-F993 HydrophobicContact CG1-CZ 3.76Å; V966-V998 HydrophobicContact CG2-CG1 4.41Å
967Q89.1Confident84.1Confident47 Ų4748.1 Ų48.122%0.2225%0.248CC..EExtended strand (participates in β ladder)trans-86.9118.8174.2-178.8176.9-12.200108.9F943 G979 E980 Q982F943-Q967 HydrophobicContact CD1-CB 4.09Å; F943-Q967 HydrophobicContact CD1-CG 4.4Å; F943-Q967 HydrophobicContact CE1-CB 3.99Å; F943-Q967 HydrophobicContact CE1-CG 4.06Å; F943-Q967 HydrophobicContact CZ-CG 4.49Å; Q967-G979 CarbonylContact O-C 3.59Å; Q967-G979 WeakPolarHBondContact O-CA 3.26Å; Q967-E980 HydrophobicContact CB-CB 4.45Å; Q967-E980 PolarHBondContact N-O 2.99Å; Q967-E980 PolarHBondContact O-N 2.94Å; Q967-Q982 HydrophobicContact CB-CG 4.28Å
968L88.1Confident84.1Confident4 Ų447 Ų472%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-72.9137.5-177-56.8-178.6000110.8E942 A944 W977 F993 L1000E942-L968 HydrophobicContact CB-CB 4.39Å; E942-L968 HydrophobicContact CB-CD1 4.19Å; E942-L968 WeakPolarHBondContact O-CB 3.21Å; E942-L968 PolarHBondContact O-N 2.68Å; A944-L968 HydrophobicContact CB-CD1 4.21Å; A944-L968 HydrophobicContact CB-CD2 3.95Å; A944-L968 HydrophobicContact CB-CG 4.15Å; L968-W977 HydrophobicContact CD1-CD2 4.5Å; L968-W977 HydrophobicContact CD1-CE3 3.82Å; L968-W977 HydrophobicContact CD1-CZ3 3.94Å; L968-W977 HydrophobicContact CD2-CB 4.31Å; L968-W977 HydrophobicContact CD2-CD2 4.34Å; L968-W977 HydrophobicContact CD2-CE3 3.61Å; L968-W977 HydrophobicContact CD2-CZ3 4.36Å; L968-W977 HydrophobicContact CG-CE3 4.4Å; L968-F993 HydrophobicContact CD2-CE2 4.32Å; L968-F993 HydrophobicContact CD2-CZ 3.76Å; L968-L1000 HydrophobicContact CD1-CD1 3.66Å; L968-L1000 HydrophobicContact CD1-CG 4.39Å
969R82.8Confident84.1Confident106 Ų10646.9 Ų46.940%0.424%0.242SC..EExtended strand (participates in β ladder)trans-116.9-46176.7-72.5-177.7161.6-129.5-3.2111.9C938 E978 E980C938-R969 PolarHBondContact N-O 3.17Å; C938-R969 VanDerWaalsContact N-O 3.07Å; R969-E978 PolarHBondContact N-O 2.65Å; R969-E980 IonicContact CZ-OE2 3.46Å; R969-E980 IonicContact NE-OE2 3.44Å; R969-E980 PolarHBondContact NE-OE2 3Å; R969-E980 IonicContact NH2-OE2 2.68Å; R969-E980 PolarHBondContact NH2-OE2 3.46Å
970K83.8Confident84Confident22 Ų2244.7 Ų44.710%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-139.9150.8-178.8-53.2174.3-165.9137.80110.9V935 W977 E978 W992V935-K970 HydrophobicContact CG1-CB 4.03Å; K970-W977 CarbonylContact O-C 3.57Å; K970-W977 WeakPolarHBondContact O-CA 2.97Å; K970-E978 HydrophobicContact CB-CB 3.91Å; K970-E978 HydrophobicContact CD-CB 4.47Å; K970-E978 VanDerWaalsContact CD-OE2 3.3Å; K970-E978 WeakPolarHBondContact CD-OE2 3.06Å; K970-E978 WeakPolarHBondContact CE-OE2 3.12Å; K970-E978 HydrophobicContact CG-CB 4.33Å; K970-E978 PolarHBondContact N-O 3.01Å; K970-E978 IonicContact NZ-OE1 2.69Å; K970-E978 PolarHBondContact NZ-OE1 3.42Å; K970-E978 IonicContact NZ-OE2 2.79Å; K970-E978 PolarHBondContact NZ-OE2 3.21Å; K970-E978 PolarHBondContact O-N 2.89Å; K970-W992 HydrophobicContact CB-CH2 3.94Å; K970-W992 HydrophobicContact CB-CZ3 4.41Å; K970-W992 HydrophobicContact CD-CH2 4.29Å; K970-W992 HydrophobicContact CD-CZ2 4.19Å
971R83.9Confident83.8Confident54 Ų5445.4 Ų45.420%0.20423%0.232CC..EExtended strand (participates in β ladder)trans-127.5114.9174.4-57.5-176.7-172.9-163.73.4109.4V935 I936 C938 E942 W977V935-R971 WeakPolarHBondContact CG1-O 3.41Å; I936-R971 PolarHBondContact N-O 3.18Å; I936-R971 PolarHBondContact O-N 3.46Å; C938-R971 PolarHBondContact SG-NE 3.05Å; C938-R971 VanDerWaalsContact SG-NE 3.4Å; E942-R971 IonicContact OE1-CZ 2.8Å; E942-R971 IonicContact OE1-NH2 3.88Å; E942-R971 PolarHBondContact OE1-NH2 2.71Å; E942-R971 IonicContact OE2-CZ 2.65Å; E942-R971 IonicContact OE2-NE 3.63Å; E942-R971 IonicContact OE2-NH2 3.6Å; E942-R971 PolarHBondContact OE2-NH2 2.96Å; R971-W977 HydrophobicContact CG-CD2 4.44Å; R971-W977 HydrophobicContact CG-CG 4.14Å
972S75.2Confident83.3Confident26 Ų2644.9 Ų44.918%0.18223%0.229CC..  trans-77.1141.2170.2-178.10000110K974 G975 W976S972-K974 PolarHBondContact O-N 2.99Å; S972-K974 PolarHBondContact OG-N 3.28Å; S972-G975 PolarHBondContact O-N 3.2Å; S972-W976 VanDerWaalsContact CB-O 3.24Å; S972-W976 WeakPolarHBondContact CB-O 3.25Å; S972-W976 PolarHBondContact N-O 3.23Å
973P65.9Low82.2Confident66 Ų6645.4 Ų45.443%0.42923%0.225SC..THydrogen-bonded Turntrans-53.8-31.3168.7-25.534.2000112.6G934 G975G934-P973 WeakPolarHBondContact O-CG 3.17Å; P973-G975 PolarHBondContact O-N 3.04Å
974K69.3Low81Confident159 Ų15955.2 Ų55.269%0.69125%0.245SC*.THydrogen-bonded Turntrans-7624178.1-58.2-171.5175.1-174.10114.2S972 W976S972-K974 PolarHBondContact O-N 2.99Å; S972-K974 PolarHBondContact OG-N 3.28Å; K974-W976 VanDerWaalsContact C-N 3.27Å; K974-W976 VanDerWaalsContact O-CD1 3.29Å; K974-W976 PolarHBondContact O-N 3.11Å; K974-W976 VanDerWaalsContact O-N 3.17Å
975G78.2Confident79.2Confident4 Ų457.6 Ų57.64%0.04128%0.277CS..SBendtrans73.91.8174.300000116.8S972 P973 A995S972-G975 PolarHBondContact O-N 3.2Å; P973-G975 PolarHBondContact O-N 3.04Å; G975-A995 WeakPolarHBondContact O-CB 3.28Å; G975-A995 PolarHBondContact O-N 3.01Å
976W85.6Confident77.6Confident89 Ų8962.4 Ų62.434%0.33730%0.296SS..EExtended strand (participates in β ladder)trans-90.7130.9174.5-72.280.5000111.1Y950 Q957 S972 K974 W992 P994Y950-W976 VanDerWaalsContact OH-CH2 3.27Å; Y950-W976 WeakPolarHBondContact OH-CH2 3.44Å; Y950-W976 WeakPolarHBondContact OH-CZ3 3.32Å; Q957-W976 HydrophobicContact CG-CH2 4.45Å; Q957-W976 HydrophobicContact CG-CZ3 3.98Å; Q957-W976 VanDerWaalsContact NE2-CH2 3.28Å; S972-W976 VanDerWaalsContact CB-O 3.24Å; S972-W976 WeakPolarHBondContact CB-O 3.25Å; S972-W976 PolarHBondContact N-O 3.23Å; K974-W976 VanDerWaalsContact C-N 3.27Å; K974-W976 VanDerWaalsContact O-CD1 3.29Å; K974-W976 PolarHBondContact O-N 3.11Å; K974-W976 VanDerWaalsContact O-N 3.17Å; W976-W992 HydrophobicContact CB-CE3 3.81Å; W976-W992 HydrophobicContact CB-CZ3 4.31Å; W976-W992 HydrophobicContact CE3-CB 3.88Å; W976-W992 HydrophobicContact CZ3-CB 4.4Å; W976-W992 WeakPolarHBondContact O-CZ3 3.38Å; W976-P994 HydrophobicContact CE3-CG 4.27Å; W976-P994 HydrophobicContact CH2-CG 4.08Å; W976-P994 HydrophobicContact CZ2-CG 4.3Å; W976-P994 HydrophobicContact CZ3-CG 4.05Å
977W91.3Very high75.8Confident33 Ų3369.8 Ų69.813%0.12533%0.334CS..EExtended strand (participates in β ladder)trans-112.3134174.4-65.3-3.6000110A944 L968 K970 R971 W992 F993 A995 V998 L1000A944-W977 HydrophobicContact CB-CZ3 4.39Å; L968-W977 HydrophobicContact CD1-CD2 4.5Å; L968-W977 HydrophobicContact CD1-CE3 3.82Å; L968-W977 HydrophobicContact CD1-CZ3 3.94Å; L968-W977 HydrophobicContact CD2-CB 4.31Å; L968-W977 HydrophobicContact CD2-CD2 4.34Å; L968-W977 HydrophobicContact CD2-CE3 3.61Å; L968-W977 HydrophobicContact CD2-CZ3 4.36Å; L968-W977 HydrophobicContact CG-CE3 4.4Å; K970-W977 CarbonylContact O-C 3.57Å; K970-W977 WeakPolarHBondContact O-CA 2.97Å; R971-W977 HydrophobicContact CG-CD2 4.44Å; R971-W977 HydrophobicContact CG-CG 4.14Å; W977-W992 CarbonylContact O-C 3.51Å; W977-W992 WeakPolarHBondContact O-CA 3.39Å; W977-F993 HydrophobicContact CB-CD2 4.41Å; W977-F993 HydrophobicContact CB-CE2 3.81Å; W977-F993 HydrophobicContact CB-CZ 3.99Å; W977-F993 HydrophobicContact CE3-CE2 4.3Å; W977-F993 PolarHBondContact N-O 3.05Å; W977-F993 WeakPolarHBondContact O-CD1 3.22Å; W977-F993 WeakPolarHBondContact O-CE1 3.45Å; W977-F993 PolarHBondContact O-N 3.38Å; W977-F993 VanDerWaalsContact O-O 3.14Å; W977-A995 HydrophobicContact CD2-CB 3.62Å; W977-A995 HydrophobicContact CE3-CB 4.15Å; W977-A995 HydrophobicContact CG-CB 3.99Å; W977-A995 HydrophobicContact CH2-CB 4.17Å; W977-A995 HydrophobicContact CZ2-CB 3.65Å; W977-A995 HydrophobicContact CZ3-CB 4.41Å; W977-V998 HydrophobicContact CE3-CG2 3.47Å; W977-V998 VanDerWaalsContact CE3-CG2 3.47Å; W977-V998 HydrophobicContact CZ3-CG2 3.4Å; W977-V998 VanDerWaalsContact CZ3-CG2 3.4Å; W977-L1000 HydrophobicContact CH2-CD1 3.44Å; W977-L1000 VanDerWaalsContact CH2-CD1 3.44Å; W977-L1000 HydrophobicContact CZ2-CD1 4.45Å; W977-L1000 HydrophobicContact CZ3-CD1 3.49Å; W977-L1000 VanDerWaalsContact CZ3-CD1 3.49Å
978E89.8Confident74.7Confident19 Ų1976.3 Ų76.39%0.08936%0.357CS..EExtended strand (participates in β ladder)trans-91.5133.1169.6-168.6-170.1-102.100108.1R969 K970 I990 W992R969-E978 PolarHBondContact N-O 2.65Å; K970-E978 HydrophobicContact CB-CB 3.91Å; K970-E978 HydrophobicContact CD-CB 4.47Å; K970-E978 VanDerWaalsContact CD-OE2 3.3Å; K970-E978 WeakPolarHBondContact CD-OE2 3.06Å; K970-E978 WeakPolarHBondContact CE-OE2 3.12Å; K970-E978 HydrophobicContact CG-CB 4.33Å; K970-E978 PolarHBondContact N-O 3.01Å; K970-E978 IonicContact NZ-OE1 2.69Å; K970-E978 PolarHBondContact NZ-OE1 3.42Å; K970-E978 IonicContact NZ-OE2 2.79Å; K970-E978 PolarHBondContact NZ-OE2 3.21Å; K970-E978 PolarHBondContact O-N 2.89Å; E978-I990 HydrophobicContact CG-CG2 4.13Å; E978-W992 HydrophobicContact CB-CD2 3.78Å; E978-W992 HydrophobicContact CB-CE3 3.84Å; E978-W992 HydrophobicContact CB-CG 4.39Å; E978-W992 HydrophobicContact CB-CH2 4.14Å; E978-W992 HydrophobicContact CB-CZ2 4.05Å; E978-W992 HydrophobicContact CB-CZ3 4.02Å; E978-W992 HydrophobicContact CG-CD2 4.34Å
979G87.3Confident74.2Confident0 Ų081.1 Ų81.10%038%0.379CS..EExtended strand (participates in β ladder)trans-157.7168.2177.500000114.1Q967 I990 G991Q967-G979 CarbonylContact O-C 3.59Å; Q967-G979 WeakPolarHBondContact O-CA 3.26Å; G979-I990 WeakPolarHBondContact O-CA 3.23Å; G979-G991 PolarHBondContact N-O 3.36Å; G979-G991 VanDerWaalsContact N-O 3.1Å; G979-G991 PolarHBondContact O-N 3.09Å
980E88.4Confident74.3Confident7 Ų779.7 Ų79.73%0.03338%0.378CS..EExtended strand (participates in β ladder)trans-108.5121.3-175.1-174.7172.8165.500109.7V966 Q967 R969 Q982 R988 Q989 I990V966-E980 WeakPolarHBondContact CA-O 3.43Å; V966-E980 WeakPolarHBondContact CG1-O 3.42Å; Q967-E980 HydrophobicContact CB-CB 4.45Å; Q967-E980 PolarHBondContact N-O 2.99Å; Q967-E980 PolarHBondContact O-N 2.94Å; R969-E980 IonicContact CZ-OE2 3.46Å; R969-E980 IonicContact NE-OE2 3.44Å; R969-E980 PolarHBondContact NE-OE2 3Å; R969-E980 IonicContact NH2-OE2 2.68Å; R969-E980 PolarHBondContact NH2-OE2 3.46Å; E980-Q982 PolarHBondContact O-N 3.31Å; E980-R988 HydrophobicContact CG-CB 4.46Å; E980-R988 WeakPolarHBondContact OE1-CD 3.22Å; E980-R988 WeakPolarHBondContact OE1-CG 3.42Å; E980-R988 IonicContact OE1-CZ 2.73Å; E980-R988 IonicContact OE1-NE 3.91Å; E980-R988 IonicContact OE1-NH1 3.08Å; E980-R988 PolarHBondContact OE1-NH1 3.22Å; E980-Q989 WeakPolarHBondContact CA-O 3.45Å; E980-I990 HydrophobicContact CB-CG1 4.05Å; E980-I990 HydrophobicContact CG-CG1 3.94Å
981L86.4Confident74.5Confident16 Ų1678.8 Ų78.88%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-71.3114.6-176.1-17065.7000111.4L958 Q964 V966 Q983 Q989L958-L981 HydrophobicContact CD1-CB 4.15Å; L958-L981 HydrophobicContact CD2-CB 4.12Å; Q964-L981 HydrophobicContact CB-CD1 3.92Å; Q964-L981 HydrophobicContact CG-CD1 4.24Å; V966-L981 HydrophobicContact CG2-CD1 4.1Å; L981-Q983 HydrophobicContact CD2-CG 4.28Å; L981-Q983 HydrophobicContact CG-CG 4.22Å; L981-Q983 PolarHBondContact O-N 3.48Å; L981-Q983 VanDerWaalsContact O-N 3.08Å; L981-Q989 HydrophobicContact CB-CB 4.41Å; L981-Q989 PolarHBondContact N-O 2.94Å
982Q73.6Confident74.8Confident90 Ų9078 Ų7842%0.42137%0.373SS..EExtended strand (participates in β ladder)trans-84.778.9179.1-73.2-75-6.900110.6F943 V965 Q967 E980F943-Q982 HydrophobicContact CE1-CG 4.4Å; V965-Q982 HydrophobicContact CB-CB 4.25Å; V965-Q982 HydrophobicContact CG1-CB 4.39Å; V965-Q982 WeakPolarHBondContact O-CB 3.41Å; V965-Q982 PolarHBondContact O-N 3.33Å; Q967-Q982 HydrophobicContact CB-CG 4.28Å; E980-Q982 PolarHBondContact O-N 3.31Å
983Q62.8Low75.6Confident85 Ų8576.7 Ų76.740%0.39736%0.364SS..  trans-112125.4167.2-78.2-168.5-34.100111.3L981 G985L981-Q983 HydrophobicContact CD2-CG 4.28Å; L981-Q983 HydrophobicContact CG-CG 4.22Å; L981-Q983 PolarHBondContact O-N 3.48Å; L981-Q983 VanDerWaalsContact O-N 3.08Å; Q983-G985 PolarHBondContact O-N 3.06Å
984R54Low76.8Confident261 Ų26174.1 Ų74.199%0.98535%0.347SS*.THydrogen-bonded Turntrans-64.5117171-77.7-176.4171.6-171.9-2.5109.8
985G50.3Low77.6Confident77 Ų7766.9 Ų66.979%0.79432%0.317SS*.THydrogen-bonded Turntrans102.17.7168.800000116.7Q983Q983-G985 PolarHBondContact O-N 3.06Å
986H54.1Low78.1Confident145 Ų14569 Ų6967%0.67133%0.327SS*.SBendtrans-126.1159.3174.6-80.1-6.6000112.5
987I51.1Low78.3Confident156 Ų15667 Ų6780%0.832%0.321SS*.  trans-57.8136.6178.3-62.1170000108.9Q989I987-Q989 PolarHBondContact O-N 3.24Å
988R66.4Low78.2Confident184 Ų18465.9 Ų65.969%0.69432%0.318SS*.  trans-58.9101.2179.3-66.4169.6-179.2-119.212.5110.1E980E980-R988 HydrophobicContact CG-CB 4.46Å; E980-R988 WeakPolarHBondContact OE1-CD 3.22Å; E980-R988 WeakPolarHBondContact OE1-CG 3.42Å; E980-R988 IonicContact OE1-CZ 2.73Å; E980-R988 IonicContact OE1-NE 3.91Å; E980-R988 IonicContact OE1-NH1 3.08Å; E980-R988 PolarHBondContact OE1-NH1 3.22Å
989Q77.6Confident78.1Confident104 Ų10473.8 Ų73.849%0.48635%0.347SS..  trans-85.2120.7172.4-66.1-176.8-3.600108.6L958 E980 L981 I987L958-Q989 HydrophobicContact CD1-CB 3.48Å; L958-Q989 VanDerWaalsContact CD1-CB 3.48Å; L958-Q989 WeakPolarHBondContact CD1-O 3.43Å; E980-Q989 WeakPolarHBondContact CA-O 3.45Å; L981-Q989 HydrophobicContact CB-CB 4.41Å; L981-Q989 PolarHBondContact N-O 2.94Å; I987-Q989 PolarHBondContact O-N 3.24Å
990I84.8Confident77.9Confident76 Ų7676.4 Ų76.439%0.3936%0.361SS..EExtended strand (participates in β ladder)trans-114.1133.2173.8-60.8167.4000106.8E978 G979 E980E978-I990 HydrophobicContact CG-CG2 4.13Å; G979-I990 WeakPolarHBondContact O-CA 3.23Å; E980-I990 HydrophobicContact CB-CG1 4.05Å; E980-I990 HydrophobicContact CG-CG1 3.94Å
991G88Confident77.5Confident4 Ų479 Ų794%0.04137%0.374CS..EExtended strand (participates in β ladder)trans-172169.5175.700000112.4G956 G979G956-G991 WeakPolarHBondContact O-CA 3.33Å; G979-G991 PolarHBondContact N-O 3.36Å; G979-G991 VanDerWaalsContact N-O 3.1Å; G979-G991 PolarHBondContact O-N 3.09Å
992W91Very high76.2Confident36 Ų3683.7 Ų83.714%0.13640%0.403CS..EExtended strand (participates in β ladder)trans-80.9139.1173.4-64.988.9000111V935 G956 Q957 L958 K970 W976 W977 E978V935-W992 HydrophobicContact CG1-CH2 4.16Å; G956-W992 PolarHBondContact O-N 3.05Å; Q957-W992 CarbonylContact C-O 3.54Å; Q957-W992 WeakPolarHBondContact CA-O 3.29Å; Q957-W992 WeakPolarHBondContact CB-O 3.11Å; L958-W992 PolarHBondContact N-O 2.9Å; K970-W992 HydrophobicContact CB-CH2 3.94Å; K970-W992 HydrophobicContact CB-CZ3 4.41Å; K970-W992 HydrophobicContact CD-CH2 4.29Å; K970-W992 HydrophobicContact CD-CZ2 4.19Å; W976-W992 HydrophobicContact CB-CE3 3.81Å; W976-W992 HydrophobicContact CB-CZ3 4.31Å; W976-W992 HydrophobicContact CE3-CB 3.88Å; W976-W992 HydrophobicContact CZ3-CB 4.4Å; W976-W992 WeakPolarHBondContact O-CZ3 3.38Å; W977-W992 CarbonylContact O-C 3.51Å; W977-W992 WeakPolarHBondContact O-CA 3.39Å; E978-W992 HydrophobicContact CB-CD2 3.78Å; E978-W992 HydrophobicContact CB-CE3 3.84Å; E978-W992 HydrophobicContact CB-CG 4.39Å; E978-W992 HydrophobicContact CB-CH2 4.14Å; E978-W992 HydrophobicContact CB-CZ2 4.05Å; E978-W992 HydrophobicContact CB-CZ3 4.02Å; E978-W992 HydrophobicContact CG-CD2 4.34Å
993F92Very high74.8Confident0 Ų084.8 Ų84.80%042%0.419CS..EExtended strand (participates in β ladder)trans-139.8152170.351.5-88.4000108.4Y950 L958 L960 V966 L968 W977 A995 V998Y950-F993 HydrophobicContact CD1-CB 3.92Å; Y950-F993 HydrophobicContact CE1-CB 4.15Å; L958-F993 HydrophobicContact CB-CD1 3.97Å; L958-F993 HydrophobicContact CD2-CD1 3.88Å; L958-F993 HydrophobicContact CD2-CE1 4.04Å; L960-F993 HydrophobicContact CD1-CB 3.68Å; L960-F993 HydrophobicContact CD1-CD2 3.81Å; L960-F993 HydrophobicContact CD1-CG 3.74Å; L960-F993 HydrophobicContact CD2-CD1 4.36Å; L960-F993 HydrophobicContact CD2-CG 4.36Å; L960-F993 HydrophobicContact CG-CB 4.17Å; L960-F993 HydrophobicContact CG-CG 4.37Å; V966-F993 HydrophobicContact CB-CE1 4.4Å; V966-F993 HydrophobicContact CB-CZ 4.19Å; V966-F993 HydrophobicContact CG1-CE1 3.55Å; V966-F993 HydrophobicContact CG1-CZ 3.76Å; L968-F993 HydrophobicContact CD2-CE2 4.32Å; L968-F993 HydrophobicContact CD2-CZ 3.76Å; W977-F993 HydrophobicContact CB-CD2 4.41Å; W977-F993 HydrophobicContact CB-CE2 3.81Å; W977-F993 HydrophobicContact CB-CZ 3.99Å; W977-F993 HydrophobicContact CE3-CE2 4.3Å; W977-F993 PolarHBondContact N-O 3.05Å; W977-F993 WeakPolarHBondContact O-CD1 3.22Å; W977-F993 WeakPolarHBondContact O-CE1 3.45Å; W977-F993 PolarHBondContact O-N 3.38Å; W977-F993 VanDerWaalsContact O-O 3.14Å; F993-A995 PolarHBondContact O-N 3.28Å; F993-V998 HydrophobicContact CD2-CG1 3.93Å; F993-V998 HydrophobicContact CD2-CG2 4.31Å; F993-V998 HydrophobicContact CE2-CB 4.31Å; F993-V998 HydrophobicContact CE2-CG1 3.62Å; F993-V998 HydrophobicContact CE2-CG2 3.64Å; F993-V998 HydrophobicContact CZ-CG1 4.41Å
994P89.8Confident73.4Confident12 Ų1288.8 Ų88.88%0.07844%0.442CS..EExtended strand (participates in β ladder)trans-67.1136.6174.4-12.627.2000109.5Y950 W976 D996 F997Y950-P994 HydrophobicContact CD2-CG 4.28Å; Y950-P994 HydrophobicContact CE2-CG 3.91Å; W976-P994 HydrophobicContact CE3-CG 4.27Å; W976-P994 HydrophobicContact CH2-CG 4.08Å; W976-P994 HydrophobicContact CZ2-CG 4.3Å; W976-P994 HydrophobicContact CZ3-CG 4.05Å; P994-D996 PolarHBondContact O-N 3.36Å; P994-D996 VanDerWaalsContact O-N 3.08Å; P994-F997 HydrophobicContact CB-CD2 3.78Å; P994-F997 HydrophobicContact CB-CE2 3.94Å; P994-F997 HydrophobicContact CG-CD2 3.86Å; P994-F997 HydrophobicContact CG-CE2 3.78Å; P994-F997 PolarHBondContact O-N 3.19Å
995A87Confident72.4Confident7 Ų783.2 Ų83.26%0.05844%0.437CS..G310 helixtrans-52.5-33.2-177.200000112.6G975 W977 F993 F997 V998G975-A995 WeakPolarHBondContact O-CB 3.28Å; G975-A995 PolarHBondContact O-N 3.01Å; W977-A995 HydrophobicContact CD2-CB 3.62Å; W977-A995 HydrophobicContact CE3-CB 4.15Å; W977-A995 HydrophobicContact CG-CB 3.99Å; W977-A995 HydrophobicContact CH2-CB 4.17Å; W977-A995 HydrophobicContact CZ2-CB 3.65Å; W977-A995 HydrophobicContact CZ3-CB 4.41Å; F993-A995 PolarHBondContact O-N 3.28Å; A995-F997 PolarHBondContact O-N 3.41Å; A995-F997 VanDerWaalsContact O-N 3.13Å; A995-V998 WeakPolarHBondContact O-CG2 3.45Å; A995-V998 PolarHBondContact O-N 2.85Å; A995-V998 VanDerWaalsContact O-O 3.09Å
996D88.2Confident71.4Confident48 Ų4885.7 Ų85.726%0.25744%0.436SS..G310 helixtrans-70.5-11.4-171.1-37.5-62.9000112.8P994P994-D996 PolarHBondContact O-N 3.36Å; P994-D996 VanDerWaalsContact O-N 3.08Å
997F89.3Confident70.3Confident47 Ų4787 Ų8721%0.20645%0.448CS..G310 helixtrans-88-3.7172.5-66.8-94.8000113.3V946 I947 A948 P949 Y950 L960 P994 A995V946-F997 CarbonylContact C-O 3.56Å; V946-F997 WeakPolarHBondContact CA-O 3.35Å; V946-F997 WeakPolarHBondContact CG1-O 3.5Å; I947-F997 WeakPolarHBondContact CG1-O 3.04Å; I947-F997 PolarHBondContact N-O 3.38Å; A948-F997 HydrophobicContact CB-CD1 3.68Å; A948-F997 HydrophobicContact CB-CE1 4.25Å; A948-F997 PolarHBondContact N-O 2.78Å; P949-F997 WeakPolarHBondContact O-CD1 3.34Å; P949-F997 VanDerWaalsContact O-CE1 3.24Å; P949-F997 WeakPolarHBondContact O-CE1 3.46Å; Y950-F997 HydrophobicContact CD2-CD1 4.46Å; Y950-F997 HydrophobicContact CD2-CD2 4.18Å; Y950-F997 HydrophobicContact CD2-CE1 4.17Å; Y950-F997 AromaticContact CD2-CE2 3.9Å; Y950-F997 HydrophobicContact CD2-CE2 3.9Å; Y950-F997 HydrophobicContact CD2-CG 4.47Å; Y950-F997 AromaticContact CD2-CZ 3.89Å; Y950-F997 HydrophobicContact CD2-CZ 3.89Å; Y950-F997 HydrophobicContact CG-CD1 4.41Å; Y950-F997 HydrophobicContact CG-CD2 4.37Å; Y950-F997 HydrophobicContact CG-CG 4.33Å; L960-F997 HydrophobicContact CD1-CB 3.82Å; P994-F997 HydrophobicContact CB-CD2 3.78Å; P994-F997 HydrophobicContact CB-CE2 3.94Å; P994-F997 HydrophobicContact CG-CD2 3.86Å; P994-F997 HydrophobicContact CG-CE2 3.78Å; P994-F997 PolarHBondContact O-N 3.19Å; A995-F997 PolarHBondContact O-N 3.41Å; A995-F997 VanDerWaalsContact O-N 3.13Å
998V89.6Confident69.3Low10 Ų1082.5 Ų82.56%0.06144%0.44CS..EExtended strand (participates in β ladder)trans-131.5164.2179.5-57.70000112.9A944 R945 V946 L960 V966 W977 F993 A995A944-V998 HydrophobicContact CB-CB 3.76Å; A944-V998 HydrophobicContact CB-CG1 4.47Å; A944-V998 HydrophobicContact CB-CG2 3.69Å; R945-V998 CarbonylContact O-C 3.59Å; R945-V998 VanDerWaalsContact O-CA 3.27Å; R945-V998 WeakPolarHBondContact O-CA 3.3Å; V946-V998 HydrophobicContact CG2-CG1 4.06Å; L960-V998 HydrophobicContact CD1-CG1 3.88Å; V966-V998 HydrophobicContact CG2-CG1 4.41Å; W977-V998 HydrophobicContact CE3-CG2 3.47Å; W977-V998 VanDerWaalsContact CE3-CG2 3.47Å; W977-V998 HydrophobicContact CZ3-CG2 3.4Å; W977-V998 VanDerWaalsContact CZ3-CG2 3.4Å; F993-V998 HydrophobicContact CD2-CG1 3.93Å; F993-V998 HydrophobicContact CD2-CG2 4.31Å; F993-V998 HydrophobicContact CE2-CB 4.31Å; F993-V998 HydrophobicContact CE2-CG1 3.62Å; F993-V998 HydrophobicContact CE2-CG2 3.64Å; F993-V998 HydrophobicContact CZ-CG1 4.41Å; A995-V998 WeakPolarHBondContact O-CG2 3.45Å; A995-V998 PolarHBondContact O-N 2.85Å; A995-V998 VanDerWaalsContact O-O 3.09Å
999R88.4Confident67.7Low185 Ų18579.7 Ų79.770%0.69845%0.449SS*.EExtended strand (participates in β ladder)trans-133126.3174.9-173.5178.7-175.2-1692.6110.4A944 R945 I947A944-R999 CarbonylContact C-O 3.41Å; A944-R999 VanDerWaalsContact CA-O 3.32Å; A944-R999 WeakPolarHBondContact CA-O 3.47Å; R945-R999 PolarHBondContact N-O 3.07Å; R945-R999 PolarHBondContact O-N 3.43Å; I947-R999 HydrophobicContact CG2-CB 3.79Å
1000L83.1Confident65.6Low55 Ų5579.1 Ų79.129%0.28846%0.457SS..EExtended strand (participates in β ladder)trans-54.1139.7177.6-11078.4000112.1L968 W977 T1002L968-L1000 HydrophobicContact CD1-CD1 3.66Å; L968-L1000 HydrophobicContact CD1-CG 4.39Å; W977-L1000 HydrophobicContact CH2-CD1 3.44Å; W977-L1000 VanDerWaalsContact CH2-CD1 3.44Å; W977-L1000 HydrophobicContact CZ2-CD1 4.45Å; W977-L1000 HydrophobicContact CZ3-CD1 3.49Å; W977-L1000 VanDerWaalsContact CZ3-CD1 3.49Å; L1000-T1002 PolarHBondContact O-N 2.98Å
1001I80.6Confident63.1Low62 Ų6282.4 Ų82.432%0.31848%0.475SS..  trans-95.786.3170.6-52.9-180000107.1F943 R945 V965 P1003F943-I1001 HydrophobicContact CB-CB 4.3Å; F943-I1001 HydrophobicContact CB-CD1 4.03Å; F943-I1001 HydrophobicContact CB-CG1 4.39Å; F943-I1001 PolarHBondContact O-N 3.04Å; R945-I1001 HydrophobicContact CB-CD1 4.19Å; R945-I1001 HydrophobicContact CB-CG1 4.19Å; V965-I1001 HydrophobicContact CG1-CD1 4.21Å; V965-I1001 HydrophobicContact CG2-CD1 4.39Å; I1001-P1003 WeakPolarHBondContact O-CD 3.12Å
1002T58.8Low60.4Low113 Ų11387.3 Ų87.369%0.69351%0.508SS*.  trans-65.7123.7175.5-33.80000109.8L1000 L1004L1000-T1002 PolarHBondContact O-N 2.98Å; T1002-L1004 PolarHBondContact O-N 3.47Å
1003P43.3Very low57.7Low114 Ų11490.1 Ų90.174%0.7453%0.533SS*.  trans-70.9113.9175.327.7-32.2000109.8I1001 T1005I1001-P1003 WeakPolarHBondContact O-CD 3.12Å; P1003-T1005 PolarHBondContact O-N 3.34Å
1004L34.2Very low54.9Low168 Ų16896.7 Ų96.788%0.8857%0.569SS**  trans-71.8114.8172.4-76.4164.3000109.5T1002T1002-L1004 PolarHBondContact O-N 3.47Å
1005T32.3Very low52Low144 Ų144104.2 Ų104.288%0.88360%0.603SS**  trans-70.5142.7169.136.40000110.8P1003P1003-T1005 PolarHBondContact O-N 3.34Å
1006V29.9Very low49.5Very low129 Ų129112.7 Ų112.778%0.78264%0.638SS**  trans-100.9130.9-166.2-176.70000111.3
1007N31.6Very low46.8Very low173 Ų173117.9 Ų117.993%0.92567%0.665SS**  trans-166.2131.4157.3-89.1-25.1000105.7
1008G30Very low43.7Very low61 Ų61123.1 Ų123.163%0.62970%0.695SS**  cis161.4133.5-400000108.5
1009S32.7Very low40.9Very low125 Ų125127.2 Ų127.287%0.87472%0.724SS**  trans70145.8177.3-52.60000116.8
1010S33.4Very low38.3Very low93 Ų93127.3 Ų127.365%0.6573%0.729SS**  cis-172.2153.7-11.445.50000111.3
1011N31.3Very low35.7Very low144 Ų144131.6 Ų131.677%0.7775%0.752SS**  trans71.9107.6160.5-57.4-10.7000117.6
1012S32.1Very low33.4Very low107 Ų107135.6 Ų135.675%0.74877%0.772SS**  83.4132.794.175.50000113.2
1013S33.6Very low31.9Very low95 Ų95135.5 Ų135.566%0.66478%0.776SS**  cis-154.7176.430-55.80000112.9
1014D32.6Very low31.5Very low138 Ų138135.3 Ų135.374%0.73878%0.775SS**  trans67.3105.8159.6-53.5-28.2000118.8
1015Q30.2Very low31.2Very low170 Ų170133 Ų13379%0.79477%0.768SS**  cis101.6139.640.2-77.8-165.63000113.6
1016K34.3Very low31.1Very low185 Ų185133 Ų13380%0.80476%0.762SS**  trans77.7126.4179.8-58.5178.9178.2173.30116
1017L30.7Very low31.1Very low158 Ų158133.1 Ų133.183%0.82776%0.759SS**  cis-154.6135.4-8.5-124.3168.3000110.5
1018L25.6Very low31.1Very low157 Ų157132.5 Ų132.582%0.82275%0.75SS**  trans-100.6164.9170.9-115.1166.2000109.9
1019S30.1Very low31.2Very low95 Ų95135.5 Ų135.566%0.66475%0.751SS**  trans79.4112.7156.976.90000120.6
1020K32.9Very low30.9Very low188 Ų188137.1 Ų137.182%0.81774%0.744SS**  176.5113.9112.7-92.9167.5179.7-179.60107.8
1021L28.5Very low31Very low145 Ų145138.8 Ų138.876%0.75975%0.746SS**  79.3111.573-79.1165000114.2
1022I33.1Very low31Very low146 Ų146137.9 Ų137.975%0.74975%0.746SS**  trans80.9104.7148.5-53.7159.9000118.7
1023S28.3Very low31.4Very low110 Ų110138 Ų13877%0.76974%0.744SS**  trans55.1167.8143.3-53.10000120.8
1024P35.1Very low31.4Very low110 Ų110139.4 Ų139.471%0.71475%0.749SS**  cis-125.9175.7-12.638.3-21.8000114.6
1025T25.9Very low31.5Very low121 Ų121137.4 Ų137.474%0.74275%0.745SS**  trans55.4136.3154.530.30000122.9
1026N30.3Very low31.7Very low142 Ų142135.5 Ų135.576%0.75974%0.74SS**  trans64.7126.3151.8-76.6-4.3000122.4
1027N30.3Very low31.8Very low133 Ų133135.7 Ų135.771%0.71174%0.741SS**  trans63.7119.6137.7-67.6-7.5000123
1028Q31.1Very low32Very low159 Ų159132.2 Ų132.274%0.74374%0.735SS**  81.5118.8129.8-71.3-173.33.300122.8
1029I32.7Very low32.2Very low125 Ų125132.8 Ų132.864%0.64174%0.738SS**  83.1109.2127.3-62.5170.2000120.6
1030E27.8Very low32.4Very low159 Ų159132.4 Ų132.474%0.74374%0.741SS**  trans41.2127.6135.5-51.7178.8149.600123.4
1031N34Very low32.5Very low127 Ų127128.3 Ų128.368%0.67974%0.736SS**  160.9110.5106.9-87-63.2000117.3
1032T32.9Very low32.9Very low125 Ų125131.1 Ų131.177%0.76774%0.742SS**  51.3-179.7128.665.60000122.9
1033P38.9Very low32.9Very low109 Ų109127.6 Ų127.671%0.70874%0.735SS**  -138.1-172.3-83.541.5-22.5000119.3
1034T34.9Very low33.2Very low125 Ų125129.8 Ų129.877%0.76774%0.736SS**  trans107.1144.4144.2-13.60000124.6
1035S33.9Very low33.1Very low96 Ų96129.7 Ų129.767%0.67173%0.734SS**  trans90.4157.9150.4-65.70000121.5
1036L34.5Very low33.5Very low130 Ų130129.8 Ų129.868%0.68173%0.734SS**  cis-171.5135.8-17.7-103.4169.5000114.9
1037K35.8Very low33.5Very low189 Ų189127.2 Ų127.282%0.82273%0.728SS**  trans55.9170.9148.7-71.5173.4-173.2172.50122.7
1038A34.8Very low33.7Very low85 Ų85127.9 Ų127.970%0.70273%0.731SS**  cis-178.9159.2-3900000114.2
1039L31Very low33.8Very low170 Ų170125.8 Ų125.889%0.8973%0.734SS**  trans90.7130.7140.9-133.477.9000126.8
1040A34Very low33.6Very low87 Ų87129.4 Ų129.472%0.71975%0.745SS**  trans66159.9140.800000123.6
1041S34.9Very low33.8Very low102 Ų102129.5 Ų129.571%0.71375%0.751SS**  cis-178.1178.5-20.2610000112.4
1042K36.7Very low33.5Very low203 Ų203130 Ų13088%0.88375%0.754SS**  trans88.2152.1168.6-69-179.4176.51780118.9
1043A33.1Very low33.5Very low73 Ų73131 Ų13160%0.60375%0.754SS**  cis-176.3146.2-9.900000115.6
1044I34.8Very low33Very low155 Ų155130.5 Ų130.580%0.79575%0.753SS**  trans63.3142.1142.3-47.4158000117.5
1045T33.4Very low32.8Very low109 Ų109130.1 Ų130.167%0.66975%0.75SS**  -172.2152.550-24.80000113.9
1046T33.2Very low32.5Very low122 Ų122134.1 Ų134.175%0.74876%0.759SS**  trans49.4155.9146.545.60000123.5
1047S30.5Very low32.4Very low89 Ų89134 Ų13462%0.62277%0.769SS**  cis177.7159.7-29.351.90000110.2
1048N34.6Very low32.1Very low147 Ų147133.6 Ų133.679%0.78677%0.77SS**  trans104.9123.9155.1-64.5-7.3000122.4
1049S33.7Very low31.8Very low115 Ų115138.3 Ų138.380%0.80478%0.777SS**  trans95.4123.7134.6-65.80000122.6
1050F28.8Very low31.7Very low201 Ų201136.5 Ų136.588%0.88277%0.774SS**  trans-68151.6175-59.7-105.9000114.1
1051N32.2Very low31.4Very low161 Ų161142.1 Ų142.186%0.86179%0.785SS**  -169.9155.8111.3-113.60.8000113.5
1052D27.5Very low31.3Very low137 Ų137142.5 Ų142.573%0.73379%0.787SS**  trans-64.8145.9174-78.3-60.1000113.7
1053N32.3Very low31.1Very low146 Ų146140.2 Ų140.278%0.78179%0.785SS**  176.8117.7107.5-91.5-57000113.6
1054S29.1Very low31.9Very low98 Ų98148.3 Ų148.369%0.68580%0.8SS**  trans31.7132.5133.380.60000122.9
1055V29.6Very low33.2Very low117 Ų117145.5 Ų145.571%0.70979%0.789SS**  trans87.4114.9147.2-173.10000119.7
1056Q29Very low35.5Very low181 Ų181144.4 Ų144.485%0.84678%0.777SS**  trans49.9110.2151.3-63.8165.90.200120.1
1057S31.4Very low38.2Very low127 Ų127141.7 Ų141.789%0.88876%0.756SS**  -173.8165.3105.736.30000111.9
1058Q28.7Very low41.1Very low180 Ų180137.9 Ų137.984%0.84173%0.729SS**  trans-79.4141.8-169.6-58.1144.3-3000112.1
1059Q29Very low43.8Very low184 Ų184132.7 Ų132.786%0.8670%0.7SS**  trans-174.4149.8134.6-103157.846.700114
1060T29.2Very low46.5Very low133 Ų133127.3 Ų127.382%0.81666%0.662SS**  trans62.187.1168.260.30000119.1S1062T1060-S1062 PolarHBondContact O-N 2.93Å
1061Q28.2Very low49.4Very low204 Ų204118 Ų11895%0.95362%0.622SS**  trans-80.6105.3153.5-81.8-178-18.100109.7
1062S32.1Very low52Low110 Ų110112.1 Ų112.177%0.76959%0.588SS**  trans-92.4146.7170.6-172.70000110.9T1060 R1064T1060-S1062 PolarHBondContact O-N 2.93Å; S1062-R1064 PolarHBondContact O-N 3.21Å
1063N33.7Very low55Low155 Ų155109.3 Ų109.383%0.82958%0.579SS**  trans-49.9102.6-172-74-28.2000113.8V1065N1063-V1065 PolarHBondContact O-N 2.93Å
1064R48.1Very low57.8Low244 Ų244103.6 Ų103.692%0.92155%0.547SS*.  trans-75.2100.4161-84.5-171.3172.6-176.8-1.3108.9S1062 E1066S1062-R1064 PolarHBondContact O-N 3.21Å; R1064-E1066 PolarHBondContact O-N 3.26Å
1065V63.4Low60.7Low95 Ų95107.1 Ų107.158%0.57655%0.55SS**  trans-64118.1170.7177.40000108.9N1063 T1091N1063-V1065 PolarHBondContact O-N 2.93Å; V1065-T1091 HydrophobicContact CG1-CG2 3.28Å
1066E81.3Confident63.5Low87 Ų87103.1 Ų103.141%0.40753%0.529SS..  trans-81.3127.1-175.4-164.9175-162.500110.8R1064 V1092 R1095R1064-E1066 PolarHBondContact O-N 3.26Å; E1066-V1092 HydrophobicContact CB-CB 4.44Å; E1066-V1092 HydrophobicContact CB-CG2 4.47Å; E1066-V1092 HydrophobicContact CG-CG2 4.5Å; E1066-V1092 PolarHBondContact O-N 3.17Å; E1066-R1095 IonicContact OE1-NH2 3.71Å; E1066-R1095 PolarHBondContact OE1-NH2 2.8Å; E1066-R1095 IonicContact OE2-CZ 3.73Å; E1066-R1095 IonicContact OE2-NE 3.82Å; E1066-R1095 IonicContact OE2-NH2 3.83Å; E1066-R1095 PolarHBondContact OE2-NH2 2.87Å
1067M88.9Confident66.1Low64 Ų6499.7 Ų99.732%0.31552%0.521SS..EExtended strand (participates in β ladder)trans-116.3138.5-178.1-67.2-175.3-72.900110.4I1089 I1090 Y1122M1067-I1089 HydrophobicContact CB-CG2 4.06Å; M1067-I1089 HydrophobicContact CG-CG2 4.4Å; M1067-I1089 HydrophobicContact SD-CG2 4.27Å; M1067-I1090 WeakPolarHBondContact CA-O 3.13Å; M1067-Y1122 HydrophobicContact CB-CD1 4.12Å; M1067-Y1122 HydrophobicContact CE-CD1 4.06Å; M1067-Y1122 HydrophobicContact CE-CE1 4.39Å; M1067-Y1122 PolarHBondContact O-N 2.87Å; M1067-Y1122 HydrophobicContact SD-CD1 4.31Å
1068M91.6Very high68.4Low9 Ų999 Ų994%0.04450%0.503CS..EExtended strand (participates in β ladder)trans-121.3142.7176.8-55.5-70.4-76.100108.7I1089 I1090 V1092 W1101 V1119 R1120 P1121M1068-I1089 CarbonylContact O-C 3.6Å; M1068-I1089 WeakPolarHBondContact O-CA 3.24Å; M1068-I1090 PolarHBondContact N-O 3.4Å; M1068-I1090 PolarHBondContact O-N 2.97Å; M1068-V1092 HydrophobicContact CG-CG2 3.48Å; M1068-V1092 VanDerWaalsContact CG-CG2 3.48Å; M1068-W1101 HydrophobicContact CE-CZ3 3.9Å; M1068-W1101 HydrophobicContact SD-CZ3 4.35Å; M1068-V1119 HydrophobicContact CB-CB 3.95Å; M1068-V1119 HydrophobicContact CB-CG1 4.42Å; M1068-V1119 HydrophobicContact CB-CG2 4.1Å; M1068-V1119 HydrophobicContact CE-CB 4.2Å; M1068-V1119 HydrophobicContact CE-CG2 3.42Å; M1068-V1119 VanDerWaalsContact CE-CG2 3.42Å; M1068-V1119 HydrophobicContact CG-CG2 4.34Å; M1068-R1120 CarbonylContact C-O 3.56Å; M1068-R1120 WeakPolarHBondContact CA-O 3.25Å; M1068-R1120 WeakPolarHBondContact CB-O 3.37Å; M1068-P1121 HydrophobicContact CE-CG 4.33Å; M1068-P1121 HydrophobicContact SD-CB 4.31Å; M1068-P1121 HydrophobicContact SD-CG 4.16Å
1069Q91.9Very high70.7Confident39 Ų3994.3 Ų94.318%0.18250%0.495CS..EExtended strand (participates in β ladder)trans-99.8130.5169.9179.1169.248.300109.4G1087 A1088 I1089 V1119 R1120 Y1122Q1069-G1087 PolarHBondContact NE2-O 3.34Å; Q1069-G1087 VanDerWaalsContact NE2-O 3.15Å; Q1069-A1088 CarbonylContact C-O 3.45Å; Q1069-A1088 WeakPolarHBondContact CA-O 3.37Å; Q1069-I1089 HydrophobicContact CB-CD1 3.67Å; Q1069-I1089 HydrophobicContact CG-CD1 3.76Å; Q1069-V1119 CarbonylContact O-C 3.46Å; Q1069-V1119 VanDerWaalsContact O-CA 3.3Å; Q1069-V1119 WeakPolarHBondContact O-CA 3.49Å; Q1069-R1120 HydrophobicContact CB-CG 4.15Å; Q1069-R1120 PolarHBondContact N-O 3.31Å; Q1069-R1120 PolarHBondContact O-N 2.93Å; Q1069-R1120 VanDerWaalsContact OE1-NE 3.13Å; Q1069-Y1122 HydrophobicContact CB-CD2 4.17Å
1070T90.5Very high73.5Confident1 Ų188.3 Ų88.31%0.00647%0.469CS..EExtended strand (participates in β ladder)trans-65.3135173.262.50000109.4F1084 E1085 G1087 A1088 I1090 Y1118 V1119T1070-F1084 HydrophobicContact CG2-CB 4.12Å; T1070-F1084 HydrophobicContact CG2-CD1 4.31Å; T1070-F1084 HydrophobicContact CG2-CD2 3.19Å; T1070-F1084 HydrophobicContact CG2-CE2 3.51Å; T1070-F1084 HydrophobicContact CG2-CG 3.62Å; T1070-F1084 HydrophobicContact CG2-CZ 4.23Å; T1070-E1085 PolarHBondContact OG1-O 2.79Å; T1070-G1087 WeakPolarHBondContact O-CA 3.27Å; T1070-G1087 PolarHBondContact O-N 3.38Å; T1070-G1087 PolarHBondContact OG1-N 2.89Å; T1070-A1088 HydrophobicContact CG2-CB 4.3Å; T1070-A1088 WeakPolarHBondContact CG2-O 3.21Å; T1070-A1088 PolarHBondContact N-O 2.96Å; T1070-A1088 PolarHBondContact OG1-N 3.34Å; T1070-A1088 PolarHBondContact OG1-O 2.91Å; T1070-I1090 HydrophobicContact CG2-CD1 3.44Å; T1070-I1090 VanDerWaalsContact CG2-CD1 3.44Å; T1070-I1090 HydrophobicContact CG2-CG1 3.87Å; T1070-Y1118 CarbonylContact C-O 3.42Å; T1070-Y1118 WeakPolarHBondContact CA-O 3.34Å; T1070-V1119 HydrophobicContact CG2-CG1 4.1Å
1071I89.9Confident76.5Confident7 Ų783 Ų834%0.03643%0.434CS..SBendtrans-108.4-14.4177.252.4162.3000111.8E1086 Y1118 R1120 R1151 R1154I1071-E1086 WeakPolarHBondContact O-CG 3.38Å; I1071-Y1118 WeakPolarHBondContact CG1-O 3.42Å; I1071-Y1118 PolarHBondContact N-O 3.45Å; I1071-R1120 HydrophobicContact CG2-CB 4.11Å; I1071-R1120 HydrophobicContact CG2-CG 3.7Å; I1071-R1151 WeakPolarHBondContact O-CD 3.4Å; I1071-R1151 WeakPolarHBondContact O-CG 3.19Å; I1071-R1151 PolarHBondContact O-NE 2.89Å; I1071-R1154 HydrophobicContact CD1-CB 4.05Å; I1071-R1154 VanDerWaalsContact CG2-NE 3.3Å
1072F86.2Confident79.5Confident36 Ų3673.4 Ų73.416%0.15839%0.39CS..SBendtrans-128.9155.7169.1-69.1-94.6000109.4F1084 Y1118 R1151 E1155F1072-F1084 WeakPolarHBondContact O-CD2 3.33Å; F1072-F1084 WeakPolarHBondContact O-CE2 3.49Å; F1072-Y1118 HydrophobicContact CB-CD1 3.39Å; F1072-Y1118 HydrophobicContact CB-CE1 3.61Å; F1072-Y1118 HydrophobicContact CB-CG 4.16Å; F1072-Y1118 HydrophobicContact CG-CD1 4.32Å; F1072-Y1118 HydrophobicContact CG-CE1 4.38Å; F1072-R1151 VanDerWaalsContact CD1-CD 3.42Å; F1072-R1151 HydrophobicContact CD1-CG 4.34Å; F1072-R1151 HydrophobicContact CD2-CG 4.29Å; F1072-R1151 HydrophobicContact CE1-CG 3.8Å; F1072-R1151 HydrophobicContact CE2-CG 3.67Å; F1072-R1151 HydrophobicContact CZ-CB 4.46Å; F1072-R1151 HydrophobicContact CZ-CG 3.37Å; F1072-E1155 HydrophobicContact CD2-CG 4.38Å; F1072-E1155 HydrophobicContact CE1-CG 4.47Å; F1072-E1155 HydrophobicContact CE2-CG 3.23Å; F1072-E1155 HydrophobicContact CZ-CG 3.3Å; F1072-E1155 WeakPolarHBondContact CZ-OE2 3.42Å
1073S90Very high82.3Confident78 Ų7872 Ų7255%0.54538%0.377SS..  trans-73.8132.2162-56.40000109.4F1084 E1085 E1086S1073-F1084 CarbonylContact C-O 3.43Å; S1073-F1084 VanDerWaalsContact CA-O 3.24Å; S1073-F1084 WeakPolarHBondContact CA-O 3.44Å; S1073-E1085 WeakPolarHBondContact OG-CA 3.46Å; S1073-E1086 PolarHBondContact OG-N 3.48Å
1074Y91.3Very high85.1Confident26 Ų2664.9 Ų64.910%0.10234%0.338CS..BIsolated β-bridgetrans-121.2135175.8-176.1-99.9000109.8E1081 L1082 T1083 F1084 W1100 P1115 Y1118Y1074-E1081 HydrophobicContact CE1-CB 4.07Å; Y1074-E1081 VanDerWaalsContact OH-CD 3.24Å; Y1074-E1081 PolarHBondContact OH-OE1 3.46Å; Y1074-E1081 PolarHBondContact OH-OE2 3.31Å; Y1074-L1082 WeakPolarHBondContact CD1-O 3.3Å; Y1074-T1083 WeakPolarHBondContact O-CA 3.43Å; Y1074-F1084 VanDerWaalsContact CB-CE2 3.43Å; Y1074-F1084 HydrophobicContact CD1-CE1 4.1Å; Y1074-F1084 HydrophobicContact CD1-CZ 4.4Å; Y1074-F1084 HydrophobicContact CG-CE1 4.2Å; Y1074-F1084 HydrophobicContact CG-CZ 4.04Å; Y1074-F1084 PolarHBondContact N-O 2.62Å; Y1074-F1084 PolarHBondContact O-N 2.99Å; Y1074-F1084 VanDerWaalsContact O-O 3.13Å; Y1074-W1100 HydrophobicContact CE1-CZ3 4.42Å; Y1074-W1100 HydrophobicContact CE2-CH2 4.45Å; Y1074-W1100 AromaticContact CZ-CH2 3.97Å; Y1074-W1100 WeakPolarHBondContact OH-CH2 3.44Å; Y1074-P1115 HydrophobicContact CD2-CG 3.79Å; Y1074-P1115 HydrophobicContact CE2-CG 3.68Å; Y1074-P1115 HydrophobicContact CG-CG 4.29Å; Y1074-Y1118 AromaticContact CD2-CD1 3.93Å; Y1074-Y1118 HydrophobicContact CD2-CD1 3.93Å; Y1074-Y1118 AromaticContact CD2-CE1 3.66Å; Y1074-Y1118 HydrophobicContact CD2-CE1 3.66Å; Y1074-Y1118 HydrophobicContact CD2-CE2 4.47Å; Y1074-Y1118 HydrophobicContact CD2-CG 4.47Å; Y1074-Y1118 AromaticContact CD2-CZ 3.96Å; Y1074-Y1118 HydrophobicContact CG-CD1 4.2Å; Y1074-Y1118 HydrophobicContact CG-CE1 4.27Å
1075K91.4Very high87.2Confident172 Ų17260.4 Ų60.475%0.74833%0.328SS*.  trans-114.4118.8176.1-170.3179-176.5-179.10108.2V1077K1075-V1077 PolarHBondContact O-N 3.02Å
1076A87.3Confident88.5Confident33 Ų3359.1 Ų59.127%0.27332%0.316SS..  trans-55.1127.3-179.600000111.6E1081 T1083A1076-E1081 HydrophobicContact CB-CB 3.88Å; A1076-E1081 VanDerWaalsContact CB-O 3.3Å; A1076-E1081 WeakPolarHBondContact CB-O 3.45Å; A1076-T1083 WeakPolarHBondContact CB-OG1 3.45Å; A1076-T1083 PolarHBondContact N-OG1 2.97Å
1077V83.3Confident88.7Confident110 Ų11056.6 Ų56.667%0.66731%0.313SS*.SBendtrans-88.8-35.6171-176.60000109.7K1075 E1081K1075-V1077 PolarHBondContact O-N 3.02Å; V1077-E1081 WeakPolarHBondContact CA-OE2 3.14Å; V1077-E1081 WeakPolarHBondContact CB-OE2 3.5Å; V1077-E1081 PolarHBondContact N-OE2 3.42Å
1078H80.2Confident88.8Confident113 Ų11354.1 Ų54.152%0.52330%0.303SS..SBendtrans-116.2151.4176.2-57.1-52.7000111D1080 E1081H1078-D1080 VanDerWaalsContact CB-OD1 3.31Å; H1078-D1080 WeakPolarHBondContact CB-OD1 3.39Å; H1078-D1080 PolarHBondContact O-N 2.84Å; H1078-E1081 HydrophobicContact CB-CG 4.09Å; H1078-E1081 IonicContact CD2-OE1 3.06Å; H1078-E1081 PolarHBondContact CD2-OE1 3.02Å; H1078-E1081 PolarHBondContact N-OE2 3.34Å; H1078-E1081 WeakPolarHBondContact O-CB 3.46Å; H1078-E1081 PolarHBondContact O-N 3.35Å; H1078-E1081 VanDerWaalsContact O-N 3.12Å
1079A78Confident88.9Confident80 Ų8055.1 Ų55.166%0.66131%0.308SS*.THydrogen-bonded Turntrans-70-21.7-168.800000114.1E1081A1079-E1081 VanDerWaalsContact C-N 3.31Å
1080D87.7Confident88.9Confident58 Ų5853.3 Ų53.331%0.3130%0.299SS..THydrogen-bonded Turntrans-84.2-2.3175.856.5-42.5000113.4H1078 G1112 L1113H1078-D1080 VanDerWaalsContact CB-OD1 3.31Å; H1078-D1080 WeakPolarHBondContact CB-OD1 3.39Å; H1078-D1080 PolarHBondContact O-N 2.84Å; D1080-G1112 CarbonylContact O-C 3.58Å; D1080-G1112 WeakPolarHBondContact O-CA 3.44Å; D1080-L1113 PolarHBondContact O-N 2.97Å
1081E91.6Very high89Confident21 Ų2153.9 Ų53.910%0.09830%0.303CS..BIsolated β-bridgetrans-92.5144.5175.3-58.2167.7160.200111.9Y1074 A1076 V1077 H1078 A1079 T1083 W1100 L1113Y1074-E1081 HydrophobicContact CE1-CB 4.07Å; Y1074-E1081 VanDerWaalsContact OH-CD 3.24Å; Y1074-E1081 PolarHBondContact OH-OE1 3.46Å; Y1074-E1081 PolarHBondContact OH-OE2 3.31Å; A1076-E1081 HydrophobicContact CB-CB 3.88Å; A1076-E1081 VanDerWaalsContact CB-O 3.3Å; A1076-E1081 WeakPolarHBondContact CB-O 3.45Å; V1077-E1081 WeakPolarHBondContact CA-OE2 3.14Å; V1077-E1081 WeakPolarHBondContact CB-OE2 3.5Å; V1077-E1081 PolarHBondContact N-OE2 3.42Å; H1078-E1081 HydrophobicContact CB-CG 4.09Å; H1078-E1081 IonicContact CD2-OE1 3.06Å; H1078-E1081 PolarHBondContact CD2-OE1 3.02Å; H1078-E1081 PolarHBondContact N-OE2 3.34Å; H1078-E1081 WeakPolarHBondContact O-CB 3.46Å; H1078-E1081 PolarHBondContact O-N 3.35Å; H1078-E1081 VanDerWaalsContact O-N 3.12Å; A1079-E1081 VanDerWaalsContact C-N 3.31Å; E1081-T1083 PolarHBondContact O-N 2.95Å; E1081-W1100 HydrophobicContact CG-CH2 4.49Å; E1081-W1100 HydrophobicContact CG-CZ3 3.91Å; E1081-W1100 WeakPolarHBondContact OE1-CH2 3.4Å; E1081-L1113 CarbonylContact C-O 3.52Å; E1081-L1113 VanDerWaalsContact CA-O 3.23Å; E1081-L1113 WeakPolarHBondContact CA-O 3.38Å
1082L90.4Very high89.1Confident4 Ų454.5 Ų54.52%0.02131%0.307CS..  trans-85.7114.3-176-172.964.5000110.8Y1074 F1084 I1090 L1105 A1110 L1113 F1114Y1074-L1082 WeakPolarHBondContact CD1-O 3.3Å; L1082-F1084 HydrophobicContact CB-CD1 4.21Å; L1082-F1084 HydrophobicContact CB-CE1 4.5Å; L1082-F1084 HydrophobicContact CD2-CD1 4.2Å; L1082-F1084 HydrophobicContact CG-CD1 4.02Å; L1082-F1084 WeakPolarHBondContact O-CD1 3.35Å; L1082-F1084 VanDerWaalsContact O-CE1 3.23Å; L1082-F1084 WeakPolarHBondContact O-CE1 3.37Å; L1082-I1090 HydrophobicContact CD2-CD1 3.81Å; L1082-I1090 HydrophobicContact CD2-CG1 3.91Å; L1082-I1090 HydrophobicContact CD2-CG2 4.26Å; L1082-L1105 HydrophobicContact CD1-CB 4.29Å; L1082-L1105 HydrophobicContact CD2-CB 4.21Å; L1082-L1105 HydrophobicContact CD2-CD1 4.18Å; L1082-A1110 HydrophobicContact CD1-CB 3.69Å; L1082-A1110 WeakPolarHBondContact CD1-O 3.27Å; L1082-L1113 PolarHBondContact N-O 2.7Å; L1082-F1114 HydrophobicContact CB-CB 4.48Å
1083T92.5Very high89.2Confident79 Ų7956.5 Ų56.549%0.48532%0.319SS..  trans-75.9129.5168.2-66.30000110.4Y1074 A1076 E1081Y1074-T1083 WeakPolarHBondContact O-CA 3.43Å; A1076-T1083 WeakPolarHBondContact CB-OG1 3.45Å; A1076-T1083 PolarHBondContact N-OG1 2.97Å; E1081-T1083 PolarHBondContact O-N 2.95Å
1084F92.7Very high89Confident7 Ų753.5 Ų53.53%0.03130%0.3CS..BIsolated β-bridgetrans-148.8153.6178.951.1-98.1000112.8T1070 F1072 S1073 Y1074 L1082 I1090 L1105 F1114 Y1118T1070-F1084 HydrophobicContact CG2-CB 4.12Å; T1070-F1084 HydrophobicContact CG2-CD1 4.31Å; T1070-F1084 HydrophobicContact CG2-CD2 3.19Å; T1070-F1084 HydrophobicContact CG2-CE2 3.51Å; T1070-F1084 HydrophobicContact CG2-CG 3.62Å; T1070-F1084 HydrophobicContact CG2-CZ 4.23Å; F1072-F1084 WeakPolarHBondContact O-CD2 3.33Å; F1072-F1084 WeakPolarHBondContact O-CE2 3.49Å; S1073-F1084 CarbonylContact C-O 3.43Å; S1073-F1084 VanDerWaalsContact CA-O 3.24Å; S1073-F1084 WeakPolarHBondContact CA-O 3.44Å; Y1074-F1084 VanDerWaalsContact CB-CE2 3.43Å; Y1074-F1084 HydrophobicContact CD1-CE1 4.1Å; Y1074-F1084 HydrophobicContact CD1-CZ 4.4Å; Y1074-F1084 HydrophobicContact CG-CE1 4.2Å; Y1074-F1084 HydrophobicContact CG-CZ 4.04Å; Y1074-F1084 PolarHBondContact N-O 2.62Å; Y1074-F1084 PolarHBondContact O-N 2.99Å; Y1074-F1084 VanDerWaalsContact O-O 3.13Å; L1082-F1084 HydrophobicContact CB-CD1 4.21Å; L1082-F1084 HydrophobicContact CB-CE1 4.5Å; L1082-F1084 HydrophobicContact CD2-CD1 4.2Å; L1082-F1084 HydrophobicContact CG-CD1 4.02Å; L1082-F1084 WeakPolarHBondContact O-CD1 3.35Å; L1082-F1084 VanDerWaalsContact O-CE1 3.23Å; L1082-F1084 WeakPolarHBondContact O-CE1 3.37Å; F1084-I1090 HydrophobicContact CD1-CD1 3.85Å; F1084-I1090 HydrophobicContact CE1-CD1 3.92Å; F1084-I1090 HydrophobicContact CG-CD1 4.28Å; F1084-I1090 HydrophobicContact CZ-CD1 4.35Å; F1084-L1105 HydrophobicContact CB-CD1 3.63Å; F1084-L1105 HydrophobicContact CB-CD2 3.96Å; F1084-L1105 HydrophobicContact CB-CG 4.49Å; F1084-L1105 HydrophobicContact CG-CD1 4.45Å; F1084-F1114 HydrophobicContact CD1-CB 4.49Å; F1084-F1114 HydrophobicContact CE1-CB 3.53Å; F1084-F1114 HydrophobicContact CZ-CB 4.09Å; F1084-Y1118 HydrophobicContact CE2-CD1 4.18Å; F1084-Y1118 HydrophobicContact CZ-CD1 4.34Å; F1084-Y1118 HydrophobicContact CZ-CG 4.44Å
1085E91.2Very high88.8Confident149 Ų14958 Ų5870%0.69632%0.317SS*.  trans-88.8159168.3-63.5-179.9171.900110.2T1070 S1073 A1088T1070-E1085 PolarHBondContact OG1-O 2.79Å; S1073-E1085 WeakPolarHBondContact OG-CA 3.46Å; E1085-A1088 WeakPolarHBondContact O-CB 3.43Å
1086E89.8Confident88.1Confident69 Ų6955.7 Ų55.732%0.32231%0.313SS..THydrogen-bonded Turntrans-56.1142.4169175.1177-159.700112I1071 S1073 A1088 R1151I1071-E1086 WeakPolarHBondContact O-CG 3.38Å; S1073-E1086 PolarHBondContact OG-N 3.48Å; E1086-A1088 VanDerWaalsContact C-N 3.27Å; E1086-A1088 PolarHBondContact O-N 3.3Å; E1086-R1151 IonicContact OE1-CZ 3.95Å; E1086-R1151 IonicContact OE1-NE 3.75Å; E1086-R1151 PolarHBondContact OE1-NE 3.08Å; E1086-R1151 IonicContact OE1-NH2 3.53Å; E1086-R1151 PolarHBondContact OE1-NH2 2.9Å; E1086-R1151 IonicContact OE2-CZ 3.79Å; E1086-R1151 IonicContact OE2-NE 2.64Å; E1086-R1151 PolarHBondContact OE2-NE 3.24Å; E1086-R1151 IonicContact OE2-NH2 3.85Å; E1086-R1151 PolarHBondContact OE2-NH2 3.16Å
1087G87Confident87.6Confident33 Ų3358.4 Ų58.434%0.3432%0.32SS..THydrogen-bonded Turntrans86.6-14.8177.300000114.7Q1069 T1070Q1069-G1087 PolarHBondContact NE2-O 3.34Å; Q1069-G1087 VanDerWaalsContact NE2-O 3.15Å; T1070-G1087 WeakPolarHBondContact O-CA 3.27Å; T1070-G1087 PolarHBondContact O-N 3.38Å; T1070-G1087 PolarHBondContact OG1-N 2.89Å
1088A90.8Very high87.2Confident13 Ų1358.9 Ų58.911%0.10733%0.325CS..  trans-61.7149.317400000112.1Q1069 T1070 E1085 E1086 L1105Q1069-A1088 CarbonylContact C-O 3.45Å; Q1069-A1088 WeakPolarHBondContact CA-O 3.37Å; T1070-A1088 HydrophobicContact CG2-CB 4.3Å; T1070-A1088 WeakPolarHBondContact CG2-O 3.21Å; T1070-A1088 PolarHBondContact N-O 2.96Å; T1070-A1088 PolarHBondContact OG1-N 3.34Å; T1070-A1088 PolarHBondContact OG1-O 2.91Å; E1085-A1088 WeakPolarHBondContact O-CB 3.43Å; E1086-A1088 VanDerWaalsContact C-N 3.27Å; E1086-A1088 PolarHBondContact O-N 3.3Å; A1088-L1105 HydrophobicContact CB-CD1 3.75Å; A1088-L1105 HydrophobicContact CB-CG 4.29Å
1089I92.9Very high87.4Confident30 Ų3059.5 Ų59.515%0.15433%0.328CS..EExtended strand (participates in β ladder)trans-101.1124.9-179.8-51.4-53.2000109.5M1067 M1068 Q1069 L1105 Q1106 Y1122M1067-I1089 HydrophobicContact CB-CG2 4.06Å; M1067-I1089 HydrophobicContact CG-CG2 4.4Å; M1067-I1089 HydrophobicContact SD-CG2 4.27Å; M1068-I1089 CarbonylContact O-C 3.6Å; M1068-I1089 WeakPolarHBondContact O-CA 3.24Å; Q1069-I1089 HydrophobicContact CB-CD1 3.67Å; Q1069-I1089 HydrophobicContact CG-CD1 3.76Å; I1089-L1105 CarbonylContact O-C 3.5Å; I1089-Q1106 HydrophobicContact CB-CB 4.11Å; I1089-Q1106 HydrophobicContact CB-CG 4.03Å; I1089-Q1106 HydrophobicContact CG2-CG 3.98Å; I1089-Q1106 WeakPolarHBondContact O-CB 3.21Å; I1089-Q1106 PolarHBondContact O-N 3.06Å; I1089-Y1122 HydrophobicContact CD1-CD1 4.39Å; I1089-Y1122 HydrophobicContact CD1-CD2 3.42Å; I1089-Y1122 VanDerWaalsContact CD1-CD2 3.42Å; I1089-Y1122 HydrophobicContact CD1-CE2 3.69Å; I1089-Y1122 HydrophobicContact CD1-CG 3.8Å; I1089-Y1122 HydrophobicContact CG1-CD2 4.41Å; I1089-Y1122 HydrophobicContact CG1-CE2 4.42Å; I1089-Y1122 HydrophobicContact CG2-CD1 4.23Å; I1089-Y1122 HydrophobicContact CG2-CG 4.33Å
1090I92.6Very high87.9Confident0 Ų059.1 Ų59.10%031%0.31CS..EExtended strand (participates in β ladder)trans-105.1125.6173.4-61.9170.2000109M1067 M1068 T1070 L1082 F1084 R1104 L1105 F1114 V1119M1067-I1090 WeakPolarHBondContact CA-O 3.13Å; M1068-I1090 PolarHBondContact N-O 3.4Å; M1068-I1090 PolarHBondContact O-N 2.97Å; T1070-I1090 HydrophobicContact CG2-CD1 3.44Å; T1070-I1090 VanDerWaalsContact CG2-CD1 3.44Å; T1070-I1090 HydrophobicContact CG2-CG1 3.87Å; L1082-I1090 HydrophobicContact CD2-CD1 3.81Å; L1082-I1090 HydrophobicContact CD2-CG1 3.91Å; L1082-I1090 HydrophobicContact CD2-CG2 4.26Å; F1084-I1090 HydrophobicContact CD1-CD1 3.85Å; F1084-I1090 HydrophobicContact CE1-CD1 3.92Å; F1084-I1090 HydrophobicContact CG-CD1 4.28Å; F1084-I1090 HydrophobicContact CZ-CD1 4.35Å; I1090-R1104 CarbonylContact C-O 3.52Å; I1090-R1104 WeakPolarHBondContact CA-O 3.19Å; I1090-L1105 HydrophobicContact CD1-CD1 4.15Å; I1090-L1105 HydrophobicContact CG1-CD1 3.4Å; I1090-F1114 HydrophobicContact CD1-CB 4.08Å; I1090-F1114 HydrophobicContact CD1-CD1 4.09Å; I1090-F1114 HydrophobicContact CD1-CD2 4.2Å; I1090-F1114 HydrophobicContact CD1-CG 3.85Å; I1090-F1114 HydrophobicContact CG2-CD1 3.75Å; I1090-F1114 HydrophobicContact CG2-CE1 3.51Å; I1090-F1114 HydrophobicContact CG2-CZ 4.08Å; I1090-V1119 HydrophobicContact CD1-CG1 3.9Å
1091T93Very high88.1Confident13 Ų1358 Ų588%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-83122167.5-62.20000109.1V1065 L1093 G1103 R1104 Q1106V1065-T1091 HydrophobicContact CG1-CG2 3.28Å; T1091-L1093 PolarHBondContact O-N 2.85Å; T1091-G1103 CarbonylContact O-C 3.58Å; T1091-G1103 WeakPolarHBondContact O-CA 3.49Å; T1091-R1104 PolarHBondContact N-O 2.82Å; T1091-R1104 PolarHBondContact O-N 3.47Å; T1091-Q1106 PolarHBondContact OG1-NE2 2.98Å
1092V91.8Very high88.2Confident21 Ų2158.4 Ų58.413%0.12730%0.302CS..EExtended strand (participates in β ladder)trans-72.5127.4-179.6-171.70000109.5E1066 M1068 R1095 W1101 F1114E1066-V1092 HydrophobicContact CB-CB 4.44Å; E1066-V1092 HydrophobicContact CB-CG2 4.47Å; E1066-V1092 HydrophobicContact CG-CG2 4.5Å; E1066-V1092 PolarHBondContact O-N 3.17Å; M1068-V1092 HydrophobicContact CG-CG2 3.48Å; M1068-V1092 VanDerWaalsContact CG-CG2 3.48Å; V1092-R1095 HydrophobicContact CG1-CG 4.14Å; V1092-W1101 HydrophobicContact CG1-CE3 4.29Å; V1092-W1101 HydrophobicContact CG2-CE3 4.36Å; V1092-F1114 HydrophobicContact CG2-CZ 4.34Å
1093L88.7Confident88.2Confident78 Ų7858.2 Ų58.241%0.40830%0.301SS..EExtended strand (participates in β ladder)trans-107-32178.8-62.7178.6000112.4T1091 R1102 R1104 E1111T1091-L1093 PolarHBondContact O-N 2.85Å; L1093-R1102 WeakPolarHBondContact CA-O 3.31Å; L1093-R1102 HydrophobicContact CB-CG 4.27Å; L1093-R1102 HydrophobicContact CD1-CG 4.45Å; L1093-R1102 PolarHBondContact N-O 3.39Å; L1093-R1104 HydrophobicContact CD1-CB 4.09Å; L1093-R1104 HydrophobicContact CG-CB 4.39Å; L1093-E1111 HydrophobicContact CD1-CB 4.43Å; L1093-E1111 VanDerWaalsContact CD1-CD 3.44Å; L1093-E1111 HydrophobicContact CD1-CG 3.85Å; L1093-E1111 WeakPolarHBondContact CD1-OE2 3.46Å
1094G84.3Confident88.3Confident14 Ų1459.9 Ų59.914%0.14430%0.298CS..EExtended strand (participates in β ladder)trans-161.6154.3-178.700000112.2W1101 R1102G1094-W1101 WeakPolarHBondContact O-CB 3.39Å; G1094-R1102 PolarHBondContact N-O 2.98Å; G1094-R1102 PolarHBondContact O-N 3.45Å
1095R88.7Confident88.2Confident120 Ų12059.9 Ų59.945%0.45330%0.299SS..  trans-125.637-177.8-62.6-179.1173-1353.7111E1066 V1092 E1097 W1101E1066-R1095 IonicContact OE1-NH2 3.71Å; E1066-R1095 PolarHBondContact OE1-NH2 2.8Å; E1066-R1095 IonicContact OE2-CZ 3.73Å; E1066-R1095 IonicContact OE2-NE 3.82Å; E1066-R1095 IonicContact OE2-NH2 3.83Å; E1066-R1095 PolarHBondContact OE2-NH2 2.87Å; V1092-R1095 HydrophobicContact CG1-CG 4.14Å; R1095-E1097 VanDerWaalsContact C-N 3.27Å; R1095-E1097 PolarHBondContact O-N 3.3Å; R1095-W1101 HydrophobicContact CB-CG 4.35Å; R1095-W1101 HydrophobicContact CG-CD2 3.89Å; R1095-W1101 HydrophobicContact CG-CE3 4.44Å; R1095-W1101 HydrophobicContact CG-CG 4.02Å; R1095-W1101 VanDerWaalsContact NH1-CZ2 3.33Å
1096D75.2Confident87.9Confident124 Ų12458.3 Ų58.366%0.66329%0.291SS*.  trans-69-27.6-166.4-51-34.7000112.2
1097E77.8Confident87.3Confident91 Ų9160.7 Ų60.743%0.42531%0.306SS..SBendtrans-113.7142.6171.9-59.5-175.1-171.100111R1095 E1099 W1100 W1101R1095-E1097 VanDerWaalsContact C-N 3.27Å; R1095-E1097 PolarHBondContact O-N 3.3Å; E1097-E1099 VanDerWaalsContact C-N 3.32Å; E1097-E1099 PolarHBondContact O-N 3.29Å; E1097-W1100 HydrophobicContact CB-CB 4.19Å; E1097-W1100 WeakPolarHBondContact CB-O 3.49Å; E1097-W1100 VanDerWaalsContact O-O 3.06Å; E1097-W1101 VanDerWaalsContact O-CD1 3.31Å
1098P75.5Confident87Confident120 Ų12062.8 Ų62.878%0.77932%0.316SS*.SBendtrans-70.7-23.5-170.625.9-34.4000114.5
1099E83.4Confident86.6Confident125 Ų12564.2 Ų64.258%0.58433%0.331SS*.SBendtrans-115.3-7.2179.6-58.6-161.1157.700113.7E1097 V1116E1097-E1099 VanDerWaalsContact C-N 3.32Å; E1097-E1099 PolarHBondContact O-N 3.29Å; E1099-V1116 WeakPolarHBondContact O-CG2 3.48Å; E1099-V1116 PolarHBondContact O-N 3.38Å
1100W87.7Confident86.2Confident72 Ų7264.8 Ų64.827%0.27334%0.341SS..EExtended strand (participates in β ladder)trans-130111.3178.6-65.388.5000109.9Y1074 E1081 E1097 L1113 F1114 P1115Y1074-W1100 HydrophobicContact CE1-CZ3 4.42Å; Y1074-W1100 HydrophobicContact CE2-CH2 4.45Å; Y1074-W1100 AromaticContact CZ-CH2 3.97Å; Y1074-W1100 WeakPolarHBondContact OH-CH2 3.44Å; E1081-W1100 HydrophobicContact CG-CH2 4.49Å; E1081-W1100 HydrophobicContact CG-CZ3 3.91Å; E1081-W1100 WeakPolarHBondContact OE1-CH2 3.4Å; E1097-W1100 HydrophobicContact CB-CB 4.19Å; E1097-W1100 WeakPolarHBondContact CB-O 3.49Å; E1097-W1100 VanDerWaalsContact O-O 3.06Å; W1100-L1113 HydrophobicContact CB-CB 4.48Å; W1100-L1113 HydrophobicContact CB-CD2 4.41Å; W1100-L1113 HydrophobicContact CE3-CB 4.11Å; W1100-F1114 WeakPolarHBondContact CA-O 3.48Å; W1100-P1115 HydrophobicContact CE3-CG 4.07Å; W1100-P1115 HydrophobicContact CH2-CG 3.85Å; W1100-P1115 HydrophobicContact CZ2-CG 4.44Å; W1100-P1115 HydrophobicContact CZ3-CB 4.47Å; W1100-P1115 HydrophobicContact CZ3-CG 3.62Å
1101W93.3Very high86.1Confident34 Ų3467.6 Ų67.613%0.12935%0.354CS..EExtended strand (participates in β ladder)trans-100.3144.5176.9-68.5-5.1000109.7M1068 V1092 G1094 R1095 E1097 L1113 F1114 V1116M1068-W1101 HydrophobicContact CE-CZ3 3.9Å; M1068-W1101 HydrophobicContact SD-CZ3 4.35Å; V1092-W1101 HydrophobicContact CG1-CE3 4.29Å; V1092-W1101 HydrophobicContact CG2-CE3 4.36Å; G1094-W1101 WeakPolarHBondContact O-CB 3.39Å; R1095-W1101 HydrophobicContact CB-CG 4.35Å; R1095-W1101 HydrophobicContact CG-CD2 3.89Å; R1095-W1101 HydrophobicContact CG-CE3 4.44Å; R1095-W1101 HydrophobicContact CG-CG 4.02Å; R1095-W1101 VanDerWaalsContact NH1-CZ2 3.33Å; E1097-W1101 VanDerWaalsContact O-CD1 3.31Å; W1101-L1113 CarbonylContact O-C 3.57Å; W1101-L1113 WeakPolarHBondContact O-CA 3.48Å; W1101-F1114 HydrophobicContact CB-CE1 3.78Å; W1101-F1114 HydrophobicContact CB-CE2 3.95Å; W1101-F1114 HydrophobicContact CB-CZ 3.47Å; W1101-F1114 VanDerWaalsContact CB-CZ 3.47Å; W1101-F1114 HydrophobicContact CE3-CE2 4.34Å; W1101-F1114 HydrophobicContact CE3-CZ 4.14Å; W1101-F1114 HydrophobicContact CG-CZ 4.43Å; W1101-F1114 PolarHBondContact N-O 2.79Å; W1101-F1114 WeakPolarHBondContact O-CD1 3.48Å; W1101-F1114 VanDerWaalsContact O-CE1 3.23Å; W1101-F1114 WeakPolarHBondContact O-CE1 3.19Å; W1101-F1114 PolarHBondContact O-N 2.79Å; W1101-V1116 HydrophobicContact CB-CG2 4.18Å; W1101-V1116 VanDerWaalsContact CD1-CG2 3.43Å; W1101-V1116 HydrophobicContact CD2-CG1 4.36Å; W1101-V1116 HydrophobicContact CD2-CG2 3.5Å; W1101-V1116 VanDerWaalsContact CE2-CG2 3.44Å; W1101-V1116 HydrophobicContact CE3-CG1 4.48Å; W1101-V1116 HydrophobicContact CE3-CG2 4.23Å; W1101-V1116 HydrophobicContact CG-CG2 3.48Å; W1101-V1116 VanDerWaalsContact CG-CG2 3.48Å; W1101-V1116 HydrophobicContact CH2-CG1 3.91Å; W1101-V1116 HydrophobicContact CZ2-CG1 3.78Å; W1101-V1116 HydrophobicContact CZ2-CG2 4.08Å; W1101-V1116 HydrophobicContact CZ3-CG1 4.29Å
1102R92.2Very high86Confident30 Ų3067 Ų6711%0.11335%0.35CS..EExtended strand (participates in β ladder)trans-82.4131.9171.9-177.9170.9-89.3-82.6-8.9108.4L1093 G1094 G1112 L1113L1093-R1102 WeakPolarHBondContact CA-O 3.31Å; L1093-R1102 HydrophobicContact CB-CG 4.27Å; L1093-R1102 HydrophobicContact CD1-CG 4.45Å; L1093-R1102 PolarHBondContact N-O 3.39Å; G1094-R1102 PolarHBondContact N-O 2.98Å; G1094-R1102 PolarHBondContact O-N 3.45Å; R1102-G1112 WeakPolarHBondContact CA-O 3.44Å; R1102-L1113 HydrophobicContact CB-CD2 4.16Å
1103G91.9Very high86Confident0 Ų067.2 Ų67.20%035%0.35CS..EExtended strand (participates in β ladder)trans-153167.1178.900000114.2T1091 E1111 G1112T1091-G1103 CarbonylContact O-C 3.58Å; T1091-G1103 WeakPolarHBondContact O-CA 3.49Å; G1103-E1111 VanDerWaalsContact O-CA 3.28Å; G1103-E1111 WeakPolarHBondContact O-CA 3.29Å; G1103-G1112 PolarHBondContact N-O 2.67Å; G1103-G1112 PolarHBondContact O-N 2.9Å
1104R93.2Very high86.3Confident114 Ų11463.5 Ų63.543%0.4333%0.331SS..EExtended strand (participates in β ladder)trans-113123178.5-171.6-174.4-67.3161.3-1.2111.2I1090 T1091 L1093 Q1106 A1110 E1111I1090-R1104 CarbonylContact C-O 3.52Å; I1090-R1104 WeakPolarHBondContact CA-O 3.19Å; T1091-R1104 PolarHBondContact N-O 2.82Å; T1091-R1104 PolarHBondContact O-N 3.47Å; L1093-R1104 HydrophobicContact CD1-CB 4.09Å; L1093-R1104 HydrophobicContact CG-CB 4.39Å; R1104-Q1106 PolarHBondContact O-N 3.35Å; R1104-A1110 CarbonylContact C-O 3.53Å; R1104-A1110 VanDerWaalsContact CA-O 3.28Å; R1104-A1110 WeakPolarHBondContact CA-O 3.38Å; R1104-E1111 HydrophobicContact CB-CG 3.91Å; R1104-E1111 HydrophobicContact CG-CG 3.86Å; R1104-E1111 IonicContact CZ-OE1 3.22Å; R1104-E1111 IonicContact NE-OE1 3.51Å; R1104-E1111 PolarHBondContact NE-OE1 3.37Å; R1104-E1111 IonicContact NH2-OE1 2.72Å; R1104-E1111 PolarHBondContact NH2-OE1 2.85Å
1105L92Very high86.6Confident8 Ų863 Ų634%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-69.8127173.4-14967.4000110.2L1082 F1084 A1088 I1089 I1090 N1107 G1109 A1110L1082-L1105 HydrophobicContact CD1-CB 4.29Å; L1082-L1105 HydrophobicContact CD2-CB 4.21Å; L1082-L1105 HydrophobicContact CD2-CD1 4.18Å; F1084-L1105 HydrophobicContact CB-CD1 3.63Å; F1084-L1105 HydrophobicContact CB-CD2 3.96Å; F1084-L1105 HydrophobicContact CB-CG 4.49Å; F1084-L1105 HydrophobicContact CG-CD1 4.45Å; A1088-L1105 HydrophobicContact CB-CD1 3.75Å; A1088-L1105 HydrophobicContact CB-CG 4.29Å; I1089-L1105 CarbonylContact O-C 3.5Å; I1090-L1105 HydrophobicContact CD1-CD1 4.15Å; I1090-L1105 HydrophobicContact CG1-CD1 3.4Å; L1105-N1107 WeakPolarHBondContact CD2-OD1 3.35Å; L1105-N1107 WeakPolarHBondContact CG-OD1 3.33Å; L1105-N1107 PolarHBondContact O-N 3.21Å; L1105-G1109 WeakPolarHBondContact O-CA 3.12Å; L1105-G1109 PolarHBondContact O-N 3.44Å; L1105-A1110 PolarHBondContact N-O 2.82Å
1106Q84Confident86.6Confident115 Ų11558.2 Ų58.254%0.53731%0.309SS..THydrogen-bonded Turntrans-67.1-31.4-174.6-85-77.5-16.100113.8I1089 T1091 R1104I1089-Q1106 HydrophobicContact CB-CB 4.11Å; I1089-Q1106 HydrophobicContact CB-CG 4.03Å; I1089-Q1106 HydrophobicContact CG2-CG 3.98Å; I1089-Q1106 WeakPolarHBondContact O-CB 3.21Å; I1089-Q1106 PolarHBondContact O-N 3.06Å; T1091-Q1106 PolarHBondContact OG1-NE2 2.98Å; R1104-Q1106 PolarHBondContact O-N 3.35Å
1107N77.4Confident87.3Confident120 Ų12054.2 Ų54.264%0.64229%0.288SS*.THydrogen-bonded Turntrans-84.2-39.9-176.960.2-8.4000113.3L1105L1105-N1107 WeakPolarHBondContact CD2-OD1 3.35Å; L1105-N1107 WeakPolarHBondContact CG-OD1 3.33Å; L1105-N1107 PolarHBondContact O-N 3.21Å
1108S80.8Confident87.9Confident77 Ų7752.9 Ų52.954%0.53828%0.28SS..THydrogen-bonded Turntrans-96.8-21.5179.968.10000113.8A1110S1108-A1110 PolarHBondContact O-N 3.38Å; S1108-A1110 WeakPolarHBondContact OG-CB 3.38Å; S1108-A1110 PolarHBondContact OG-N 2.71Å
1109G82Confident88.7Confident42 Ų4247.8 Ų47.843%0.43325%0.246SC..  trans72.32.6-169.800000114.4L1105L1105-G1109 WeakPolarHBondContact O-CA 3.12Å; L1105-G1109 PolarHBondContact O-N 3.44Å
1110A84.8Confident88.9Confident43 Ų4346.6 Ų46.636%0.35524%0.236SC..  trans-64.7142.1177.900000110.8L1082 R1104 L1105 S1108L1082-A1110 HydrophobicContact CD1-CB 3.69Å; L1082-A1110 WeakPolarHBondContact CD1-O 3.27Å; R1104-A1110 CarbonylContact C-O 3.53Å; R1104-A1110 VanDerWaalsContact CA-O 3.28Å; R1104-A1110 WeakPolarHBondContact CA-O 3.38Å; L1105-A1110 PolarHBondContact N-O 2.82Å; S1108-A1110 PolarHBondContact O-N 3.38Å; S1108-A1110 WeakPolarHBondContact OG-CB 3.38Å; S1108-A1110 PolarHBondContact OG-N 2.71Å
1111E91.1Very high88.9Confident58 Ų5847.2 Ų47.227%0.27125%0.249SC..EExtended strand (participates in β ladder)trans-111.9152.3175.4-64.6-174.1-17400110.2L1093 G1103 R1104L1093-E1111 HydrophobicContact CD1-CB 4.43Å; L1093-E1111 VanDerWaalsContact CD1-CD 3.44Å; L1093-E1111 HydrophobicContact CD1-CG 3.85Å; L1093-E1111 WeakPolarHBondContact CD1-OE2 3.46Å; G1103-E1111 VanDerWaalsContact O-CA 3.28Å; G1103-E1111 WeakPolarHBondContact O-CA 3.29Å; R1104-E1111 HydrophobicContact CB-CG 3.91Å; R1104-E1111 HydrophobicContact CG-CG 3.86Å; R1104-E1111 IonicContact CZ-OE1 3.22Å; R1104-E1111 IonicContact NE-OE1 3.51Å; R1104-E1111 PolarHBondContact NE-OE1 3.37Å; R1104-E1111 IonicContact NH2-OE1 2.72Å; R1104-E1111 PolarHBondContact NH2-OE1 2.85Å
1112G90.8Very high88.4Confident0 Ų048.9 Ų48.90%026%0.256CS..EExtended strand (participates in β ladder)trans171.4173.917600000112.4D1080 R1102 G1103D1080-G1112 CarbonylContact O-C 3.58Å; D1080-G1112 WeakPolarHBondContact O-CA 3.44Å; R1102-G1112 WeakPolarHBondContact CA-O 3.44Å; G1103-G1112 PolarHBondContact N-O 2.67Å; G1103-G1112 PolarHBondContact O-N 2.9Å
1113L92.1Very high87.5Confident26 Ų2654.1 Ų54.114%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-72.4131.9168.2-66.1173.7000109.5D1080 E1081 L1082 W1100 W1101 R1102D1080-L1113 PolarHBondContact O-N 2.97Å; E1081-L1113 CarbonylContact C-O 3.52Å; E1081-L1113 VanDerWaalsContact CA-O 3.23Å; E1081-L1113 WeakPolarHBondContact CA-O 3.38Å; L1082-L1113 PolarHBondContact N-O 2.7Å; W1100-L1113 HydrophobicContact CB-CB 4.48Å; W1100-L1113 HydrophobicContact CB-CD2 4.41Å; W1100-L1113 HydrophobicContact CE3-CB 4.11Å; W1101-L1113 CarbonylContact O-C 3.57Å; W1101-L1113 WeakPolarHBondContact O-CA 3.48Å; R1102-L1113 HydrophobicContact CB-CD2 4.16Å
1114F93.3Very high86Confident0 Ų058.1 Ų58.10%031%0.312CS..EExtended strand (participates in β ladder)trans-124143.1172.363.5-88.9000110L1082 F1084 I1090 V1092 W1100 W1101 V1116 V1119L1082-F1114 HydrophobicContact CB-CB 4.48Å; F1084-F1114 HydrophobicContact CD1-CB 4.49Å; F1084-F1114 HydrophobicContact CE1-CB 3.53Å; F1084-F1114 HydrophobicContact CZ-CB 4.09Å; I1090-F1114 HydrophobicContact CD1-CB 4.08Å; I1090-F1114 HydrophobicContact CD1-CD1 4.09Å; I1090-F1114 HydrophobicContact CD1-CD2 4.2Å; I1090-F1114 HydrophobicContact CD1-CG 3.85Å; I1090-F1114 HydrophobicContact CG2-CD1 3.75Å; I1090-F1114 HydrophobicContact CG2-CE1 3.51Å; I1090-F1114 HydrophobicContact CG2-CZ 4.08Å; V1092-F1114 HydrophobicContact CG2-CZ 4.34Å; W1100-F1114 WeakPolarHBondContact CA-O 3.48Å; W1101-F1114 HydrophobicContact CB-CE1 3.78Å; W1101-F1114 HydrophobicContact CB-CE2 3.95Å; W1101-F1114 HydrophobicContact CB-CZ 3.47Å; W1101-F1114 VanDerWaalsContact CB-CZ 3.47Å; W1101-F1114 HydrophobicContact CE3-CE2 4.34Å; W1101-F1114 HydrophobicContact CE3-CZ 4.14Å; W1101-F1114 HydrophobicContact CG-CZ 4.43Å; W1101-F1114 PolarHBondContact N-O 2.79Å; W1101-F1114 WeakPolarHBondContact O-CD1 3.48Å; W1101-F1114 VanDerWaalsContact O-CE1 3.23Å; W1101-F1114 WeakPolarHBondContact O-CE1 3.19Å; W1101-F1114 PolarHBondContact O-N 2.79Å; F1114-V1116 PolarHBondContact O-N 2.88Å; F1114-V1119 HydrophobicContact CD2-CG1 3.68Å; F1114-V1119 HydrophobicContact CD2-CG2 3.98Å; F1114-V1119 HydrophobicContact CE2-CB 4.34Å; F1114-V1119 HydrophobicContact CE2-CG1 3.87Å; F1114-V1119 HydrophobicContact CE2-CG2 3.52Å
1115P91Very high83.8Confident5 Ų557.8 Ų57.83%0.03233%0.325CS..EExtended strand (participates in β ladder)trans-64.3129.6175-14.425.4000110.4Y1074 W1100 N1117 Y1118Y1074-P1115 HydrophobicContact CD2-CG 3.79Å; Y1074-P1115 HydrophobicContact CE2-CG 3.68Å; Y1074-P1115 HydrophobicContact CG-CG 4.29Å; W1100-P1115 HydrophobicContact CE3-CG 4.07Å; W1100-P1115 HydrophobicContact CH2-CG 3.85Å; W1100-P1115 HydrophobicContact CZ2-CG 4.44Å; W1100-P1115 HydrophobicContact CZ3-CB 4.47Å; W1100-P1115 HydrophobicContact CZ3-CG 3.62Å; P1115-N1117 WeakPolarHBondContact CB-OD1 3.37Å; P1115-N1117 PolarHBondContact O-N 3.44Å; P1115-Y1118 HydrophobicContact CB-CD2 3.64Å; P1115-Y1118 HydrophobicContact CB-CE2 4.32Å; P1115-Y1118 HydrophobicContact CB-CG 4.19Å; P1115-Y1118 HydrophobicContact CG-CD2 3.89Å; P1115-Y1118 HydrophobicContact CG-CE2 4.34Å; P1115-Y1118 HydrophobicContact CG-CG 4.17Å; P1115-Y1118 WeakPolarHBondContact O-CB 3.28Å; P1115-Y1118 PolarHBondContact O-N 2.79Å
1116V90.2Very high81.1Confident19 Ų1962.2 Ų62.212%0.11536%0.357CS..G310 helixtrans-63.2-29.7-176.8177.70000112E1099 W1101 F1114 Y1118 V1119E1099-V1116 WeakPolarHBondContact O-CG2 3.48Å; E1099-V1116 PolarHBondContact O-N 3.38Å; W1101-V1116 HydrophobicContact CB-CG2 4.18Å; W1101-V1116 VanDerWaalsContact CD1-CG2 3.43Å; W1101-V1116 HydrophobicContact CD2-CG1 4.36Å; W1101-V1116 HydrophobicContact CD2-CG2 3.5Å; W1101-V1116 VanDerWaalsContact CE2-CG2 3.44Å; W1101-V1116 HydrophobicContact CE3-CG1 4.48Å; W1101-V1116 HydrophobicContact CE3-CG2 4.23Å; W1101-V1116 HydrophobicContact CG-CG2 3.48Å; W1101-V1116 VanDerWaalsContact CG-CG2 3.48Å; W1101-V1116 HydrophobicContact CH2-CG1 3.91Å; W1101-V1116 HydrophobicContact CZ2-CG1 3.78Å; W1101-V1116 HydrophobicContact CZ2-CG2 4.08Å; W1101-V1116 HydrophobicContact CZ3-CG1 4.29Å; F1114-V1116 PolarHBondContact O-N 2.88Å; V1116-Y1118 VanDerWaalsContact C-N 3.25Å; V1116-Y1118 PolarHBondContact O-N 2.8Å; V1116-V1119 VanDerWaalsContact O-CG2 3.29Å; V1116-V1119 WeakPolarHBondContact O-CG2 3.43Å; V1116-V1119 PolarHBondContact O-N 2.81Å
1117N88.6Confident78.6Confident40 Ų4066.1 Ų66.121%0.21438%0.375CS..G310 helixtrans-72.1-12.9175.362.1-51.5000114.2P1115 V1119 F1158P1115-N1117 WeakPolarHBondContact CB-OD1 3.37Å; P1115-N1117 PolarHBondContact O-N 3.44Å; N1117-V1119 VanDerWaalsContact C-N 3.32Å; N1117-F1158 HydrophobicContact CB-CD1 4.11Å; N1117-F1158 HydrophobicContact CB-CD2 4.46Å; N1117-F1158 HydrophobicContact CB-CE1 3.8Å; N1117-F1158 HydrophobicContact CB-CE2 4.16Å; N1117-F1158 HydrophobicContact CB-CG 4.43Å; N1117-F1158 HydrophobicContact CB-CZ 3.83Å
1118Y91.3Very high76.4Confident63 Ų6365.9 Ų65.925%0.24738%0.378CS..G310 helixtrans-88.11.8178-84.3-118.9000113.1T1070 I1071 F1072 Y1074 F1084 P1115 V1116T1070-Y1118 CarbonylContact C-O 3.42Å; T1070-Y1118 WeakPolarHBondContact CA-O 3.34Å; I1071-Y1118 WeakPolarHBondContact CG1-O 3.42Å; I1071-Y1118 PolarHBondContact N-O 3.45Å; F1072-Y1118 HydrophobicContact CB-CD1 3.39Å; F1072-Y1118 HydrophobicContact CB-CE1 3.61Å; F1072-Y1118 HydrophobicContact CB-CG 4.16Å; F1072-Y1118 HydrophobicContact CG-CD1 4.32Å; F1072-Y1118 HydrophobicContact CG-CE1 4.38Å; Y1074-Y1118 AromaticContact CD2-CD1 3.93Å; Y1074-Y1118 HydrophobicContact CD2-CD1 3.93Å; Y1074-Y1118 AromaticContact CD2-CE1 3.66Å; Y1074-Y1118 HydrophobicContact CD2-CE1 3.66Å; Y1074-Y1118 HydrophobicContact CD2-CE2 4.47Å; Y1074-Y1118 HydrophobicContact CD2-CG 4.47Å; Y1074-Y1118 AromaticContact CD2-CZ 3.96Å; Y1074-Y1118 HydrophobicContact CG-CD1 4.2Å; Y1074-Y1118 HydrophobicContact CG-CE1 4.27Å; F1084-Y1118 HydrophobicContact CE2-CD1 4.18Å; F1084-Y1118 HydrophobicContact CZ-CD1 4.34Å; F1084-Y1118 HydrophobicContact CZ-CG 4.44Å; P1115-Y1118 HydrophobicContact CB-CD2 3.64Å; P1115-Y1118 HydrophobicContact CB-CE2 4.32Å; P1115-Y1118 HydrophobicContact CB-CG 4.19Å; P1115-Y1118 HydrophobicContact CG-CD2 3.89Å; P1115-Y1118 HydrophobicContact CG-CE2 4.34Å; P1115-Y1118 HydrophobicContact CG-CG 4.17Å; P1115-Y1118 WeakPolarHBondContact O-CB 3.28Å; P1115-Y1118 PolarHBondContact O-N 2.79Å; V1116-Y1118 VanDerWaalsContact C-N 3.25Å; V1116-Y1118 PolarHBondContact O-N 2.8Å
1119V91.2Very high74.1Confident12 Ų1271.3 Ų71.37%0.07340%0.395CS..EExtended strand (participates in β ladder)trans-134.3162.1-175.7-60.50000113.7M1068 Q1069 T1070 I1090 F1114 V1116 N1117M1068-V1119 HydrophobicContact CB-CB 3.95Å; M1068-V1119 HydrophobicContact CB-CG1 4.42Å; M1068-V1119 HydrophobicContact CB-CG2 4.1Å; M1068-V1119 HydrophobicContact CE-CB 4.2Å; M1068-V1119 HydrophobicContact CE-CG2 3.42Å; M1068-V1119 VanDerWaalsContact CE-CG2 3.42Å; M1068-V1119 HydrophobicContact CG-CG2 4.34Å; Q1069-V1119 CarbonylContact O-C 3.46Å; Q1069-V1119 VanDerWaalsContact O-CA 3.3Å; Q1069-V1119 WeakPolarHBondContact O-CA 3.49Å; T1070-V1119 HydrophobicContact CG2-CG1 4.1Å; I1090-V1119 HydrophobicContact CD1-CG1 3.9Å; F1114-V1119 HydrophobicContact CD2-CG1 3.68Å; F1114-V1119 HydrophobicContact CD2-CG2 3.98Å; F1114-V1119 HydrophobicContact CE2-CB 4.34Å; F1114-V1119 HydrophobicContact CE2-CG1 3.87Å; F1114-V1119 HydrophobicContact CE2-CG2 3.52Å; V1116-V1119 VanDerWaalsContact O-CG2 3.29Å; V1116-V1119 WeakPolarHBondContact O-CG2 3.43Å; V1116-V1119 PolarHBondContact O-N 2.81Å; N1117-V1119 VanDerWaalsContact C-N 3.32Å
1120R88.8Confident71.7Confident100 Ų10078.8 Ų78.838%0.37742%0.415SS..EExtended strand (participates in β ladder)trans-130.3156.5168.568178.8177.7178.1-1110.4M1068 Q1069 I1071 Y1122M1068-R1120 CarbonylContact C-O 3.56Å; M1068-R1120 WeakPolarHBondContact CA-O 3.25Å; M1068-R1120 WeakPolarHBondContact CB-O 3.37Å; Q1069-R1120 HydrophobicContact CB-CG 4.15Å; Q1069-R1120 PolarHBondContact N-O 3.31Å; Q1069-R1120 PolarHBondContact O-N 2.93Å; Q1069-R1120 VanDerWaalsContact OE1-NE 3.13Å; I1071-R1120 HydrophobicContact CG2-CB 4.11Å; I1071-R1120 HydrophobicContact CG2-CG 3.7Å; R1120-Y1122 PolarHBondContact O-N 2.67Å
1121P87.9Confident69.3Low85 Ų8582.4 Ų82.455%0.55244%0.438SS*.EExtended strand (participates in β ladder)trans-54.5133.6169.7-25.835.6000112M1068 N1123M1068-P1121 HydrophobicContact CE-CG 4.33Å; M1068-P1121 HydrophobicContact SD-CB 4.31Å; M1068-P1121 HydrophobicContact SD-CG 4.16Å; P1121-N1123 PolarHBondContact O-N 3Å
1122Y82.9Confident66.6Low70 Ų7085.3 Ų85.328%0.27547%0.465SS..  trans-89.2101177.2176.6-112.4000110.3M1067 Q1069 I1089 R1120 P1124M1067-Y1122 HydrophobicContact CB-CD1 4.12Å; M1067-Y1122 HydrophobicContact CE-CD1 4.06Å; M1067-Y1122 HydrophobicContact CE-CE1 4.39Å; M1067-Y1122 PolarHBondContact O-N 2.87Å; M1067-Y1122 HydrophobicContact SD-CD1 4.31Å; Q1069-Y1122 HydrophobicContact CB-CD2 4.17Å; I1089-Y1122 HydrophobicContact CD1-CD1 4.39Å; I1089-Y1122 HydrophobicContact CD1-CD2 3.42Å; I1089-Y1122 VanDerWaalsContact CD1-CD2 3.42Å; I1089-Y1122 HydrophobicContact CD1-CE2 3.69Å; I1089-Y1122 HydrophobicContact CD1-CG 3.8Å; I1089-Y1122 HydrophobicContact CG1-CD2 4.41Å; I1089-Y1122 HydrophobicContact CG1-CE2 4.42Å; I1089-Y1122 HydrophobicContact CG2-CD1 4.23Å; I1089-Y1122 HydrophobicContact CG2-CG 4.33Å; R1120-Y1122 PolarHBondContact O-N 2.67Å; Y1122-P1124 HydrophobicContact CE1-CB 4.05Å; Y1122-P1124 WeakPolarHBondContact O-CD 3.06Å
1123N72.2Confident63.7Low140 Ų14093.1 Ų93.175%0.74951%0.507SS*.  trans-87.4114.3165.9-73.1-8.4000108.6P1121P1121-N1123 PolarHBondContact O-N 3Å
1124P60.9Low61Low83 Ų8397.1 Ų97.154%0.53954%0.536SS..PPolyproline II helixtrans-65.7138.5174.127.3-33.6000110Y1122 S1126Y1122-P1124 HydrophobicContact CE1-CB 4.05Å; Y1122-P1124 WeakPolarHBondContact O-CD 3.06Å; P1124-S1126 PolarHBondContact O-N 3.3Å
1125P46.9Very low58.1Low107 Ų107102.6 Ų102.670%0.69557%0.57SS**PPolyproline II helixtrans-66.5118.3178.726.3-33.2000110.7
1126S35.8Very low55.4Low101 Ų101109.8 Ų109.871%0.70661%0.608SS**PPolyproline II helixtrans-64.1130.9171.944.50000110.8P1124 T1128P1124-S1126 PolarHBondContact O-N 3.3Å; S1126-T1128 PolarHBondContact O-N 2.83Å
1127Q30.3Very low52.6Low197 Ų197117.4 Ų117.492%0.92164%0.642SS**  trans-79.480.3-173.3-66-175.913.900113.5
1128T31.5Very low50Low115 Ų115123.9 Ų123.971%0.70667%0.671SS**  trans-155.5123163.141.10000104.9S1126S1126-T1128 PolarHBondContact O-N 2.83Å
1129E32.9Very low47.3Very low192 Ų192125.5 Ų125.590%0.89769%0.689SS**  cis-143.7165.224.1-58.8175137.100111.5
1130K31.1Very low44.5Very low199 Ų199132.9 Ų132.987%0.86573%0.726SS**  trans-120.6129165.6-73179.3178.4175.80108.9
1131S34.9Very low42Very low119 Ų119133.2 Ų133.283%0.83274%0.74SS**  trans-179.1162.7145.2-86.90000114.3
1132S33.6Very low39.5Very low119 Ų119133 Ų13383%0.83274%0.74SS**  trans66103.7169.648.80000120
1133N30.3Very low37.4Very low164 Ų164132.9 Ų132.988%0.87775%0.753SS**  trans-59.5155.1161.4-49.6-53.3000112.8
1134S35.4Very low36.1Very low109 Ų109133.3 Ų133.376%0.76275%0.751SS**  -179120103.1-162.90000114.2
1135V32Very low35.1Very low116 Ų116135.5 Ų135.570%0.70376%0.755SS**  trans26.5110.1142-168.60000119.3
1136N34.5Very low35.6Very low155 Ų155135.4 Ų135.483%0.82975%0.749SS**  -166.6155.2116.2-102.1-39.6000113.3
1137Q32.4Very low37.1Very low180 Ų180134.1 Ų134.184%0.84174%0.737SS**  trans-90128.1-168-63.6166-10.700112.5
1138H33.5Very low39.1Very low175 Ų175128.5 Ų128.581%0.8171%0.714SS**  trans-141.9157.9163.1-83.3-59.5000111.6
1139P33.6Very low41.1Very low98 Ų98124.9 Ų124.964%0.63669%0.689SS**  trans-71.5149.1-164.7-18.632.9000114.5V1141P1139-V1141 PolarHBondContact O-N 3.26Å
1140I32.6Very low43.1Very low166 Ų166118.4 Ų118.485%0.85167%0.665SS**THydrogen-bonded Turntrans-6911.3-167.2-69163.1000114.9
1141V36.1Very low45.4Very low108 Ų108110.5 Ų110.566%0.65563%0.63SS**THydrogen-bonded Turntrans-88.8-23.4-173.3-176.80000113.6P1139P1139-V1141 PolarHBondContact O-N 3.26Å
1142S36.1Very low47.6Very low80 Ų80108.5 Ų108.556%0.55961%0.606SS**THydrogen-bonded Turntrans-70.9-33.7-174.445.90000114.6Q1144 M1145S1142-Q1144 VanDerWaalsContact C-N 3.33Å; S1142-Q1144 PolarHBondContact O-N 3.18Å; S1142-M1145 PolarHBondContact O-N 3.07Å
1143A39.9Very low49.9Very low67 Ų67105.9 Ų105.955%0.55458%0.583SS**Hα-helixtrans-66.7-26.3-170.100000114.9
1144Q43.7Very low52.4Low149 Ų149100.8 Ų100.870%0.69655%0.551SS**Hα-helixtrans-77.7-25.3177.6-80.3178-54.900113.2S1142 T1147 D1148S1142-Q1144 VanDerWaalsContact C-N 3.33Å; S1142-Q1144 PolarHBondContact O-N 3.18Å; Q1144-T1147 PolarHBondContact O-OG1 2.93Å; Q1144-D1148 PolarHBondContact O-N 3.03Å
1145M40.6Very low54.9Low129 Ų12996.9 Ų96.964%0.63552%0.521SS*.Hα-helixtrans-69.7-41.7177.6-72.5-170.1170.100111.6S1142 T1147 D1148 I1149S1142-M1145 PolarHBondContact O-N 3.07Å; M1145-T1147 VanDerWaalsContact C-N 3.31Å; M1145-T1147 PolarHBondContact O-N 3.4Å; M1145-D1148 PolarHBondContact O-N 3.13Å; M1145-I1149 VanDerWaalsContact O-CG1 3.29Å; M1145-I1149 WeakPolarHBondContact O-CG1 3.46Å; M1145-I1149 PolarHBondContact O-N 3.4Å
1146D56.9Low57.6Low106 Ų10692.1 Ų92.157%0.56749%0.49SS*.Hα-helixtrans-64.6-33.8179.7-75-30.2000112.8S1150D1146-S1150 WeakPolarHBondContact O-CB 3.32Å; D1146-S1150 PolarHBondContact O-N 3.2Å; D1146-S1150 PolarHBondContact O-OG 2.71Å
1147T68Low60.1Low73 Ų7388.1 Ų88.145%0.44847%0.469SS..Hα-helixtrans-67.1-44.2174.7440000112.3Q1144 M1145 S1150 R1151Q1144-T1147 PolarHBondContact O-OG1 2.93Å; M1145-T1147 VanDerWaalsContact C-N 3.31Å; M1145-T1147 PolarHBondContact O-N 3.4Å; T1147-S1150 PolarHBondContact O-N 3.07Å; T1147-R1151 WeakPolarHBondContact O-CB 3.33Å; T1147-R1151 PolarHBondContact O-N 2.71Å
1148D72.2Confident62.8Low80 Ų8083.1 Ų83.143%0.42844%0.444SS..Hα-helixtrans-65.2-43.9178.9-89.510.9000112.1Q1144 M1145 R1151 K1152Q1144-D1148 PolarHBondContact O-N 3.03Å; M1145-D1148 PolarHBondContact O-N 3.13Å; D1148-R1151 WeakPolarHBondContact O-CB 3.43Å; D1148-R1151 PolarHBondContact O-N 2.84Å; D1148-R1151 IonicContact OD1-CZ 2.8Å; D1148-R1151 IonicContact OD1-NH1 3.84Å; D1148-R1151 PolarHBondContact OD1-NH1 3.12Å; D1148-R1151 IonicContact OD1-NH2 3.95Å; D1148-R1151 PolarHBondContact OD1-NH2 2.98Å; D1148-K1152 PolarHBondContact O-N 3.3Å
1149I74Confident65.6Low39 Ų3974.8 Ų74.820%0.241%0.406CS..Hα-helixtrans-61.2-49.3176-67.1166.1000109.8M1145 R1151 K1152 L1153M1145-I1149 VanDerWaalsContact O-CG1 3.29Å; M1145-I1149 WeakPolarHBondContact O-CG1 3.46Å; M1145-I1149 PolarHBondContact O-N 3.4Å; I1149-R1151 PolarHBondContact O-N 3.36Å; I1149-K1152 PolarHBondContact O-N 3.49Å; I1149-L1153 HydrophobicContact CG2-CD1 3.94Å; I1149-L1153 HydrophobicContact CG2-CG 4.44Å; I1149-L1153 WeakPolarHBondContact O-CG 3.22Å; I1149-L1153 PolarHBondContact O-N 3.01Å
1150S74.9Confident68.3Low56 Ų5670.4 Ų70.439%0.39238%0.377SS..Hα-helixtrans-58.9-30.8177.6-63.50000112.9D1146 T1147 R1154D1146-S1150 WeakPolarHBondContact O-CB 3.32Å; D1146-S1150 PolarHBondContact O-N 3.2Å; D1146-S1150 PolarHBondContact O-OG 2.71Å; T1147-S1150 PolarHBondContact O-N 3.07Å; S1150-R1154 WeakPolarHBondContact O-CG 3.5Å; S1150-R1154 VanDerWaalsContact O-CZ 3.32Å; S1150-R1154 PolarHBondContact O-NH1 3.48Å
1151R79Confident71.1Confident32 Ų3269.2 Ų69.212%0.12137%0.366CS..Hα-helixtrans-73.5-49.6177.9-161.7-160.7-59.3111.210112.1I1071 F1072 E1086 T1147 D1148 I1149 L1153 R1154 E1155I1071-R1151 WeakPolarHBondContact O-CD 3.4Å; I1071-R1151 WeakPolarHBondContact O-CG 3.19Å; I1071-R1151 PolarHBondContact O-NE 2.89Å; F1072-R1151 VanDerWaalsContact CD1-CD 3.42Å; F1072-R1151 HydrophobicContact CD1-CG 4.34Å; F1072-R1151 HydrophobicContact CD2-CG 4.29Å; F1072-R1151 HydrophobicContact CE1-CG 3.8Å; F1072-R1151 HydrophobicContact CE2-CG 3.67Å; F1072-R1151 HydrophobicContact CZ-CB 4.46Å; F1072-R1151 HydrophobicContact CZ-CG 3.37Å; E1086-R1151 IonicContact OE1-CZ 3.95Å; E1086-R1151 IonicContact OE1-NE 3.75Å; E1086-R1151 PolarHBondContact OE1-NE 3.08Å; E1086-R1151 IonicContact OE1-NH2 3.53Å; E1086-R1151 PolarHBondContact OE1-NH2 2.9Å; E1086-R1151 IonicContact OE2-CZ 3.79Å; E1086-R1151 IonicContact OE2-NE 2.64Å; E1086-R1151 PolarHBondContact OE2-NE 3.24Å; E1086-R1151 IonicContact OE2-NH2 3.85Å; E1086-R1151 PolarHBondContact OE2-NH2 3.16Å; T1147-R1151 WeakPolarHBondContact O-CB 3.33Å; T1147-R1151 PolarHBondContact O-N 2.71Å; D1148-R1151 WeakPolarHBondContact O-CB 3.43Å; D1148-R1151 PolarHBondContact O-N 2.84Å; D1148-R1151 IonicContact OD1-CZ 2.8Å; D1148-R1151 IonicContact OD1-NH1 3.84Å; D1148-R1151 PolarHBondContact OD1-NH1 3.12Å; D1148-R1151 IonicContact OD1-NH2 3.95Å; D1148-R1151 PolarHBondContact OD1-NH2 2.98Å; I1149-R1151 PolarHBondContact O-N 3.36Å; R1151-L1153 VanDerWaalsContact C-N 3.33Å; R1151-L1153 PolarHBondContact O-N 3.06Å; R1151-R1154 WeakPolarHBondContact O-CB 3.37Å; R1151-R1154 PolarHBondContact O-N 2.97Å; R1151-R1154 VanDerWaalsContact O-N 3.15Å; R1151-E1155 PolarHBondContact O-N 2.79Å
1152K81.2Confident73.9Confident78 Ų7866.3 Ų66.334%0.33935%0.345SS..Hα-helixtrans-59.6-42.4177.5-73.5-171.1174.8-167.10112D1148 I1149 R1154 E1155 R1156 N1310D1148-K1152 PolarHBondContact O-N 3.3Å; I1149-K1152 PolarHBondContact O-N 3.49Å; K1152-R1154 VanDerWaalsContact C-N 3.29Å; K1152-R1154 PolarHBondContact O-N 2.83Å; K1152-E1155 PolarHBondContact O-N 3.05Å; K1152-E1155 VanDerWaalsContact O-N 3.14Å; K1152-R1156 PolarHBondContact O-N 2.76Å; K1152-N1310 CarbonylContact C-O 3.31Å; K1152-N1310 WeakPolarHBondContact CB-O 3.27Å
1153L80.6Confident76.6Confident63 Ų6362.6 Ų62.633%0.3332%0.319SS..Hα-helixtrans-57.6-39.4175.8-69.9172.5000112.4I1149 R1151 E1155 R1156 D1157I1149-L1153 HydrophobicContact CG2-CD1 3.94Å; I1149-L1153 HydrophobicContact CG2-CG 4.44Å; I1149-L1153 WeakPolarHBondContact O-CG 3.22Å; I1149-L1153 PolarHBondContact O-N 3.01Å; R1151-L1153 VanDerWaalsContact C-N 3.33Å; R1151-L1153 PolarHBondContact O-N 3.06Å; L1153-E1155 PolarHBondContact O-N 2.86Å; L1153-R1156 WeakPolarHBondContact O-CB 3.36Å; L1153-R1156 PolarHBondContact O-N 3.32Å; L1153-D1157 VanDerWaalsContact O-CG 3.28Å; L1153-D1157 PolarHBondContact O-N 3.3Å
1154R82.7Confident79.1Confident57 Ų5760.1 Ų60.122%0.21530%0.296CS..Hα-helixtrans-64.5-38.1176-69.8-177.3-61.6-99.213.3113.3I1071 S1150 R1151 K1152 D1157 F1158I1071-R1154 HydrophobicContact CD1-CB 4.05Å; I1071-R1154 VanDerWaalsContact CG2-NE 3.3Å; S1150-R1154 WeakPolarHBondContact O-CG 3.5Å; S1150-R1154 VanDerWaalsContact O-CZ 3.32Å; S1150-R1154 PolarHBondContact O-NH1 3.48Å; R1151-R1154 WeakPolarHBondContact O-CB 3.37Å; R1151-R1154 PolarHBondContact O-N 2.97Å; R1151-R1154 VanDerWaalsContact O-N 3.15Å; K1152-R1154 VanDerWaalsContact C-N 3.29Å; K1152-R1154 PolarHBondContact O-N 2.83Å; R1154-D1157 PolarHBondContact O-N 2.89Å; R1154-F1158 PolarHBondContact O-N 2.86Å
1155E88Confident81.5Confident27 Ų2760.9 Ų60.913%0.12630%0.297CS..Hα-helixtrans-72.7-36.4175.2-68.4-166.2117.600113F1072 R1151 K1152 L1153 D1157 F1158 A1159 N1310F1072-E1155 HydrophobicContact CD2-CG 4.38Å; F1072-E1155 HydrophobicContact CE1-CG 4.47Å; F1072-E1155 HydrophobicContact CE2-CG 3.23Å; F1072-E1155 HydrophobicContact CZ-CG 3.3Å; F1072-E1155 WeakPolarHBondContact CZ-OE2 3.42Å; R1151-E1155 PolarHBondContact O-N 2.79Å; K1152-E1155 PolarHBondContact O-N 3.05Å; K1152-E1155 VanDerWaalsContact O-N 3.14Å; L1153-E1155 PolarHBondContact O-N 2.86Å; E1155-D1157 VanDerWaalsContact C-N 3.28Å; E1155-D1157 PolarHBondContact O-N 2.78Å; E1155-F1158 PolarHBondContact O-N 2.9Å; E1155-A1159 WeakPolarHBondContact O-CB 3.29Å; E1155-A1159 PolarHBondContact O-N 2.78Å; E1155-N1310 HydrophobicContact CB-CB 4.07Å; E1155-N1310 WeakPolarHBondContact CB-ND2 3.13Å; E1155-N1310 VanDerWaalsContact OE2-CG 3.25Å; E1155-N1310 PolarHBondContact OE2-ND2 3.42Å; E1155-N1310 PolarHBondContact OE2-OD1 2.95Å
1156R89.4Confident84.2Confident16 Ų1657 Ų576%0.0628%0.281CS..Hα-helixtrans-55.6-48.1171169-175.8158.1101.82.8109.5K1152 L1153 F1158 A1159 I1160 I1307 N1310 T1311 D1317K1152-R1156 PolarHBondContact O-N 2.76Å; L1153-R1156 WeakPolarHBondContact O-CB 3.36Å; L1153-R1156 PolarHBondContact O-N 3.32Å; R1156-F1158 PolarHBondContact O-N 3.43Å; R1156-A1159 PolarHBondContact O-N 2.65Å; R1156-I1160 HydrophobicContact CG-CD1 3.94Å; R1156-I1160 VanDerWaalsContact O-CG1 3.26Å; R1156-I1160 WeakPolarHBondContact O-CG1 3.22Å; R1156-I1160 PolarHBondContact O-N 2.98Å; R1156-I1307 HydrophobicContact CG-CG2 4.38Å; R1156-N1310 HydrophobicContact CB-CB 4.21Å; R1156-T1311 PolarHBondContact NH1-OG1 2.75Å; R1156-D1317 IonicContact CZ-OD2 3.31Å; R1156-D1317 VanDerWaalsContact CZ-OD2 3.22Å; R1156-D1317 IonicContact NH1-OD2 3.19Å; R1156-D1317 PolarHBondContact NH1-OD2 3Å; R1156-D1317 IonicContact NH2-OD2 3.57Å; R1156-D1317 PolarHBondContact NH2-OD2 3.43Å
1157D87.1Confident86Confident71 Ų7152 Ų5238%0.3825%0.254SS..Hα-helixtrans-65-37177.3-65.6-18.8000112.9L1153 R1154 E1155 I1160 K1161L1153-D1157 VanDerWaalsContact O-CG 3.28Å; L1153-D1157 PolarHBondContact O-N 3.3Å; R1154-D1157 PolarHBondContact O-N 2.89Å; E1155-D1157 VanDerWaalsContact C-N 3.28Å; E1155-D1157 PolarHBondContact O-N 2.78Å; D1157-I1160 PolarHBondContact O-N 2.82Å; D1157-K1161 WeakPolarHBondContact O-CB 3.36Å; D1157-K1161 VanDerWaalsContact O-CG 3.3Å; D1157-K1161 WeakPolarHBondContact O-CG 3.37Å; D1157-K1161 PolarHBondContact O-N 3.47Å
1158F89.6Confident87.2Confident75 Ų7551.4 Ų51.433%0.32925%0.248SC..Hα-helixtrans-63.1-45.6173.6-172.8-82000111.3N1117 R1154 E1155 R1156 I1160 K1161 E1162N1117-F1158 HydrophobicContact CB-CD1 4.11Å; N1117-F1158 HydrophobicContact CB-CD2 4.46Å; N1117-F1158 HydrophobicContact CB-CE1 3.8Å; N1117-F1158 HydrophobicContact CB-CE2 4.16Å; N1117-F1158 HydrophobicContact CB-CG 4.43Å; N1117-F1158 HydrophobicContact CB-CZ 3.83Å; R1154-F1158 PolarHBondContact O-N 2.86Å; E1155-F1158 PolarHBondContact O-N 2.9Å; R1156-F1158 PolarHBondContact O-N 3.43Å; F1158-I1160 VanDerWaalsContact C-N 3.34Å; F1158-I1160 PolarHBondContact O-N 3.35Å; F1158-K1161 PolarHBondContact O-N 3.04Å; F1158-E1162 WeakPolarHBondContact O-CB 3.43Å; F1158-E1162 PolarHBondContact O-N 3.03Å
1159A91.6Very high88.3Confident0 Ų050.3 Ų50.30%025%0.25CC..Hα-helixtrans-65-35.3177.900000112.6E1155 R1156 E1162 L1163 K1306 I1307E1155-A1159 WeakPolarHBondContact O-CB 3.29Å; E1155-A1159 PolarHBondContact O-N 2.78Å; R1156-A1159 PolarHBondContact O-N 2.65Å; A1159-E1162 PolarHBondContact O-N 3.02Å; A1159-L1163 PolarHBondContact O-N 2.94Å; A1159-K1306 HydrophobicContact CB-CB 4.21Å; A1159-K1306 HydrophobicContact CB-CD 3.81Å; A1159-K1306 HydrophobicContact CB-CG 3.81Å; A1159-I1307 HydrophobicContact CB-CG1 3.7Å
1160I91.3Very high89.3Confident6 Ų649.2 Ų49.23%0.03124%0.243CC..Hα-helixtrans-66.3-45.8172.6-66.5166.8000110.4R1156 D1157 F1158 E1162 L1163 I1164 Y1220 I1230 I1307R1156-I1160 HydrophobicContact CG-CD1 3.94Å; R1156-I1160 VanDerWaalsContact O-CG1 3.26Å; R1156-I1160 WeakPolarHBondContact O-CG1 3.22Å; R1156-I1160 PolarHBondContact O-N 2.98Å; D1157-I1160 PolarHBondContact O-N 2.82Å; F1158-I1160 VanDerWaalsContact C-N 3.34Å; F1158-I1160 PolarHBondContact O-N 3.35Å; I1160-E1162 VanDerWaalsContact C-N 3.32Å; I1160-E1162 PolarHBondContact O-N 3.35Å; I1160-L1163 WeakPolarHBondContact O-CB 3.49Å; I1160-L1163 PolarHBondContact O-N 3.38Å; I1160-I1164 HydrophobicContact CG2-CD1 3.83Å; I1160-I1164 VanDerWaalsContact O-CD1 3.29Å; I1160-I1164 WeakPolarHBondContact O-CD1 3.5Å; I1160-I1164 WeakPolarHBondContact O-CG1 3.47Å; I1160-I1164 PolarHBondContact O-N 3.1Å; I1160-I1164 VanDerWaalsContact O-N 3.07Å; I1160-Y1220 HydrophobicContact CG2-CD1 4.44Å; I1160-Y1220 HydrophobicContact CG2-CE1 3.95Å; I1160-I1230 HydrophobicContact CD1-CB 4.28Å; I1160-I1230 HydrophobicContact CD1-CG1 4.42Å; I1160-I1230 HydrophobicContact CD1-CG2 3.93Å; I1160-I1230 HydrophobicContact CG1-CG1 4.25Å; I1160-I1230 HydrophobicContact CG1-CG2 4.42Å; I1160-I1230 HydrophobicContact CG2-CD1 4.47Å; I1160-I1307 HydrophobicContact CG1-CD1 3.93Å; I1160-I1307 HydrophobicContact CG1-CG1 4.15Å
1161K90.6Very high90.3Very high141 Ų14147 Ų4761%0.61323%0.227SC*.Hα-helixtrans-62.5-37.9175.8-73167.7-177.2171.70112.5D1157 F1158 K1165D1157-K1161 WeakPolarHBondContact O-CB 3.36Å; D1157-K1161 VanDerWaalsContact O-CG 3.3Å; D1157-K1161 WeakPolarHBondContact O-CG 3.37Å; D1157-K1161 PolarHBondContact O-N 3.47Å; F1158-K1161 PolarHBondContact O-N 3.04Å; K1161-K1165 VanDerWaalsContact O-CB 3.31Å; K1161-K1165 WeakPolarHBondContact O-CB 3.08Å; K1161-K1165 PolarHBondContact O-N 2.84Å
1162E93.8Very high91.1Very high48 Ų4849.5 Ų49.522%0.22424%0.243CC..Hα-helixtrans-61.3-46.5172.2-171.9-167.4145.500111.2F1158 A1159 I1160 I1164 T1166 K1306F1158-E1162 WeakPolarHBondContact O-CB 3.43Å; F1158-E1162 PolarHBondContact O-N 3.03Å; A1159-E1162 PolarHBondContact O-N 3.02Å; I1160-E1162 VanDerWaalsContact C-N 3.32Å; I1160-E1162 PolarHBondContact O-N 3.35Å; E1162-I1164 PolarHBondContact O-N 2.91Å; E1162-T1166 HydrophobicContact CG-CG2 4.41Å; E1162-T1166 VanDerWaalsContact O-CB 3.31Å; E1162-T1166 WeakPolarHBondContact O-CB 3.23Å; E1162-T1166 VanDerWaalsContact O-CG2 3.27Å; E1162-T1166 WeakPolarHBondContact O-CG2 2.98Å; E1162-T1166 PolarHBondContact O-N 2.77Å; E1162-T1166 PolarHBondContact O-OG1 3.37Å; E1162-K1306 IonicContact OE2-NZ 3.21Å; E1162-K1306 PolarHBondContact OE2-NZ 3.38Å
1163L94.4Very high91.8Very high1 Ų146.4 Ų46.41%0.00523%0.231CC..Hα-helixtrans-54.3-53.7175.4-17762.6000111.4A1159 I1160 T1166 E1167 F1213 L1217 L1234 R1296 Y1300 I1303A1159-L1163 PolarHBondContact O-N 2.94Å; I1160-L1163 WeakPolarHBondContact O-CB 3.49Å; I1160-L1163 PolarHBondContact O-N 3.38Å; L1163-T1166 PolarHBondContact O-N 3.25Å; L1163-T1166 PolarHBondContact O-OG1 2.98Å; L1163-E1167 VanDerWaalsContact O-CB 3.27Å; L1163-E1167 WeakPolarHBondContact O-CB 3.37Å; L1163-E1167 PolarHBondContact O-N 2.85Å; L1163-F1213 HydrophobicContact CD1-CE1 4.35Å; L1163-F1213 HydrophobicContact CD1-CZ 4.28Å; L1163-F1213 HydrophobicContact CD2-CZ 4.13Å; L1163-F1213 HydrophobicContact CG-CZ 4.44Å; L1163-L1217 HydrophobicContact CD2-CD1 4.25Å; L1163-L1217 HydrophobicContact CD2-CD2 3.9Å; L1163-L1217 HydrophobicContact CG-CD1 4.03Å; L1163-L1217 HydrophobicContact CG-CD2 4.48Å; L1163-L1234 HydrophobicContact CD2-CD2 3.93Å; L1163-R1296 PolarHBondContact O-NH2 3.17Å; L1163-Y1300 HydrophobicContact CD1-CD1 4.09Å; L1163-Y1300 HydrophobicContact CD1-CE1 4.32Å; L1163-I1303 HydrophobicContact CB-CG2 3.86Å; L1163-I1303 HydrophobicContact CD1-CD1 4.33Å; L1163-I1303 HydrophobicContact CD1-CG2 4.14Å; L1163-I1303 HydrophobicContact CG-CG2 4.48Å
1164I92.5Very high92.5Very high16 Ų1643.4 Ų43.48%0.08222%0.215CC..Hα-helixtrans-61.4-52.3-177.3-61.6151000111I1160 E1162 T1166 E1167 L1168 L1217 V1221I1160-I1164 HydrophobicContact CG2-CD1 3.83Å; I1160-I1164 VanDerWaalsContact O-CD1 3.29Å; I1160-I1164 WeakPolarHBondContact O-CD1 3.5Å; I1160-I1164 WeakPolarHBondContact O-CG1 3.47Å; I1160-I1164 PolarHBondContact O-N 3.1Å; I1160-I1164 VanDerWaalsContact O-N 3.07Å; E1162-I1164 PolarHBondContact O-N 2.91Å; I1164-T1166 VanDerWaalsContact C-N 3.33Å; I1164-T1166 PolarHBondContact O-N 3.44Å; I1164-E1167 PolarHBondContact O-N 2.84Å; I1164-L1168 HydrophobicContact CG2-CD1 4.28Å; I1164-L1168 PolarHBondContact O-N 3.45Å; I1164-L1217 HydrophobicContact CG1-CB 4.09Å; I1164-L1217 HydrophobicContact CG1-CD2 4.37Å; I1164-V1221 HydrophobicContact CD1-CG2 3.39Å; I1164-V1221 HydrophobicContact CG1-CG2 4.45Å
1165K93.7Very high93.1Very high165 Ų16542.8 Ų42.872%0.71722%0.216SC*.Hα-helixtrans-60.3-42.8-179-178-175.7176.4-172.20111.7K1161 A1169K1161-K1165 VanDerWaalsContact O-CB 3.31Å; K1161-K1165 WeakPolarHBondContact O-CB 3.08Å; K1161-K1165 PolarHBondContact O-N 2.84Å; K1165-A1169 PolarHBondContact O-N 3.29Å
1166T96Very high93.4Very high48 Ų4843.5 Ų43.529%0.29422%0.219SC..Hα-helixtrans-76.4-26.6-179.458.60000112.9E1162 L1163 I1164 Y1170 R1296E1162-T1166 HydrophobicContact CG-CG2 4.41Å; E1162-T1166 VanDerWaalsContact O-CB 3.31Å; E1162-T1166 WeakPolarHBondContact O-CB 3.23Å; E1162-T1166 VanDerWaalsContact O-CG2 3.27Å; E1162-T1166 WeakPolarHBondContact O-CG2 2.98Å; E1162-T1166 PolarHBondContact O-N 2.77Å; E1162-T1166 PolarHBondContact O-OG1 3.37Å; L1163-T1166 PolarHBondContact O-N 3.25Å; L1163-T1166 PolarHBondContact O-OG1 2.98Å; I1164-T1166 VanDerWaalsContact C-N 3.33Å; I1164-T1166 PolarHBondContact O-N 3.44Å; T1166-Y1170 WeakPolarHBondContact O-CB 3.41Å; T1166-Y1170 PolarHBondContact O-N 3.4Å; T1166-R1296 PolarHBondContact OG1-NH1 2.96Å; T1166-R1296 PolarHBondContact OG1-NH2 3Å
1167E95.2Very high93.6Very high0 Ų042.8 Ų42.80%022%0.216CC..Hα-helixtrans-71.5-45.1175.2-16857.7-15700111.2L1163 I1164 A1169 Y1170 N1171 S1210 F1213 L1217 R1296 Y1300L1163-E1167 VanDerWaalsContact O-CB 3.27Å; L1163-E1167 WeakPolarHBondContact O-CB 3.37Å; L1163-E1167 PolarHBondContact O-N 2.85Å; I1164-E1167 PolarHBondContact O-N 2.84Å; E1167-A1169 VanDerWaalsContact C-N 3.32Å; E1167-A1169 PolarHBondContact O-N 2.8Å; E1167-Y1170 PolarHBondContact O-N 3.35Å; E1167-Y1170 VanDerWaalsContact O-N 3.13Å; E1167-N1171 WeakPolarHBondContact O-CB 3.49Å; E1167-N1171 PolarHBondContact O-N 2.59Å; E1167-S1210 WeakPolarHBondContact OE1-CB 3.37Å; E1167-S1210 PolarHBondContact OE1-OG 2.86Å; E1167-F1213 HydrophobicContact CG-CD1 3.77Å; E1167-F1213 HydrophobicContact CG-CE1 4.26Å; E1167-F1213 HydrophobicContact CG-CG 4.44Å; E1167-L1217 HydrophobicContact CB-CD1 4.17Å; E1167-L1217 HydrophobicContact CG-CD1 4.2Å; E1167-R1296 VanDerWaalsContact CA-NH2 3.25Å; E1167-R1296 IonicContact OE2-CZ 2.58Å; E1167-R1296 IonicContact OE2-NE 2.81Å; E1167-R1296 PolarHBondContact OE2-NE 2.98Å; E1167-R1296 IonicContact OE2-NH2 3.8Å; E1167-R1296 PolarHBondContact OE2-NH2 3.43Å; E1167-Y1300 PolarHBondContact OE1-OH 3.41Å; E1167-Y1300 WeakPolarHBondContact OE2-CE1 3.2Å; E1167-Y1300 PolarHBondContact OE2-OH 2.91Å
1168L94.3Very high94Very high61 Ų6142.1 Ų42.132%0.31921%0.209SC..Hα-helixtrans-57.8-43.8173.7-76.1169.5000112.1I1164 Y1170 N1172 C1214I1164-L1168 HydrophobicContact CG2-CD1 4.28Å; I1164-L1168 PolarHBondContact O-N 3.45Å; L1168-Y1170 VanDerWaalsContact C-N 3.35Å; L1168-Y1170 PolarHBondContact O-N 3.17Å; L1168-N1172 WeakPolarHBondContact O-CB 3.23Å; L1168-N1172 PolarHBondContact O-N 2.82Å; L1168-N1172 PolarHBondContact O-ND2 3.06Å; L1168-C1214 HydrophobicContact CD2-CB 4.14Å
1169A94.1Very high94.2Very high57 Ų5741.1 Ų41.147%0.47121%0.207SC..Hα-helixtrans-64.4-37.7176.200000112.7K1165 E1167 S1173K1165-A1169 PolarHBondContact O-N 3.29Å; E1167-A1169 VanDerWaalsContact C-N 3.32Å; E1167-A1169 PolarHBondContact O-N 2.8Å; A1169-S1173 PolarHBondContact O-N 2.78Å
1170Y96.2Very high94.2Very high16 Ų1641.4 Ų41.46%0.06321%0.209CC..Hα-helixtrans-68.8-48.3176.4170.2-104.1000112T1166 E1167 L1168 N1172 S1173 L1174 S1210 Y1244 K1292 P1293 R1296T1166-Y1170 WeakPolarHBondContact O-CB 3.41Å; T1166-Y1170 PolarHBondContact O-N 3.4Å; E1167-Y1170 PolarHBondContact O-N 3.35Å; E1167-Y1170 VanDerWaalsContact O-N 3.13Å; L1168-Y1170 VanDerWaalsContact C-N 3.35Å; L1168-Y1170 PolarHBondContact O-N 3.17Å; Y1170-N1172 VanDerWaalsContact C-N 3.35Å; Y1170-N1172 PolarHBondContact O-N 3.46Å; Y1170-S1173 PolarHBondContact O-N 2.78Å; Y1170-S1173 VanDerWaalsContact O-N 3.11Å; Y1170-L1174 HydrophobicContact CD1-CD1 4.31Å; Y1170-L1174 HydrophobicContact CE1-CD1 3.57Å; Y1170-L1174 HydrophobicContact CE1-CG 4.07Å; Y1170-L1174 HydrophobicContact CE2-CD1 4.43Å; Y1170-L1174 HydrophobicContact CE2-CD2 3.94Å; Y1170-L1174 HydrophobicContact CE2-CG 4.16Å; Y1170-L1174 PolarHBondContact O-N 2.89Å; Y1170-S1210 WeakPolarHBondContact CD1-OG 3.44Å; Y1170-Y1244 HydrophobicContact CE1-CE1 4.41Å; Y1170-Y1244 WeakPolarHBondContact CE1-OH 3.23Å; Y1170-Y1244 VanDerWaalsContact OH-CE1 3.29Å; Y1170-Y1244 WeakPolarHBondContact OH-CE1 3.43Å; Y1170-Y1244 PolarHBondContact OH-OH 3.41Å; Y1170-K1292 HydrophobicContact CD2-CB 4.39Å; Y1170-K1292 HydrophobicContact CE2-CB 4.11Å; Y1170-P1293 WeakPolarHBondContact OH-CA 3.38Å; Y1170-P1293 WeakPolarHBondContact OH-CB 3.37Å; Y1170-R1296 HydrophobicContact CD1-CB 4.45Å; Y1170-R1296 HydrophobicContact CD1-CG 3.81Å; Y1170-R1296 HydrophobicContact CD2-CB 3.78Å; Y1170-R1296 HydrophobicContact CD2-CG 3.92Å; Y1170-R1296 HydrophobicContact CE1-CB 4.32Å; Y1170-R1296 HydrophobicContact CE1-CG 3.94Å; Y1170-R1296 HydrophobicContact CE2-CB 3.6Å; Y1170-R1296 HydrophobicContact CE2-CG 4.04Å; Y1170-R1296 HydrophobicContact CG-CB 4.21Å; Y1170-R1296 HydrophobicContact CG-CG 3.8Å
1171N96Very high94.3Very high10 Ų1041.1 Ų41.15%0.05321%0.207CC..Hα-helixtrans-60.2-44.1178.8-168.837.9000111.7E1167 S1173 L1174 I1175 I1207 S1210 T1211 C1214E1167-N1171 WeakPolarHBondContact O-CB 3.49Å; E1167-N1171 PolarHBondContact O-N 2.59Å; N1171-S1173 VanDerWaalsContact C-N 3.32Å; N1171-S1173 PolarHBondContact O-N 3.43Å; N1171-L1174 PolarHBondContact O-N 2.81Å; N1171-L1174 VanDerWaalsContact O-N 3.11Å; N1171-I1175 WeakPolarHBondContact O-CG1 3.36Å; N1171-I1175 PolarHBondContact O-N 2.9Å; N1171-I1207 PolarHBondContact OD1-O 3.07Å; N1171-S1210 WeakPolarHBondContact CB-OG 3.39Å; N1171-T1211 PolarHBondContact ND2-OG1 3.04Å; N1171-T1211 PolarHBondContact OD1-OG1 3.14Å; N1171-C1214 VanDerWaalsContact CB-SG 3.58Å
1172N95Very high94.4Very high83 Ų8335.6 Ų35.644%0.44418%0.183SC..Hα-helixtrans-57-44.9174.2-72.7-10.1000111.3L1168 Y1170 L1174 I1175 E1176L1168-N1172 WeakPolarHBondContact O-CB 3.23Å; L1168-N1172 PolarHBondContact O-N 2.82Å; L1168-N1172 PolarHBondContact O-ND2 3.06Å; Y1170-N1172 VanDerWaalsContact C-N 3.35Å; Y1170-N1172 PolarHBondContact O-N 3.46Å; N1172-L1174 PolarHBondContact O-N 2.81Å; N1172-I1175 PolarHBondContact O-N 2.91Å; N1172-E1176 WeakPolarHBondContact O-CB 3.48Å; N1172-E1176 WeakPolarHBondContact O-CG 2.99Å; N1172-E1176 PolarHBondContact O-N 2.78Å
1173S94.9Very high94.4Very high13 Ų1338.4 Ų38.49%0.09119%0.194CC..Hα-helixtrans-64.6-32.1175.2-77.80000114.6A1169 Y1170 N1171 E1176 V1177A1169-S1173 PolarHBondContact O-N 2.78Å; Y1170-S1173 PolarHBondContact O-N 2.78Å; Y1170-S1173 VanDerWaalsContact O-N 3.11Å; N1171-S1173 VanDerWaalsContact C-N 3.32Å; N1171-S1173 PolarHBondContact O-N 3.43Å; S1173-E1176 WeakPolarHBondContact CA-OE2 3.39Å; S1173-E1176 PolarHBondContact OG-OE2 2.73Å; S1173-V1177 WeakPolarHBondContact O-CG2 3.43Å; S1173-V1177 PolarHBondContact O-N 2.8Å
1174L95.7Very high94.2Very high1 Ų140.1 Ų40.11%0.00521%0.205CC..Hα-helixtrans-67.9-41.6172.9-63.3-177.1000111.8Y1170 N1171 N1172 V1177 R1178 W1203 L1206 I1207 P1293Y1170-L1174 HydrophobicContact CD1-CD1 4.31Å; Y1170-L1174 HydrophobicContact CE1-CD1 3.57Å; Y1170-L1174 HydrophobicContact CE1-CG 4.07Å; Y1170-L1174 HydrophobicContact CE2-CD1 4.43Å; Y1170-L1174 HydrophobicContact CE2-CD2 3.94Å; Y1170-L1174 HydrophobicContact CE2-CG 4.16Å; Y1170-L1174 PolarHBondContact O-N 2.89Å; N1171-L1174 PolarHBondContact O-N 2.81Å; N1171-L1174 VanDerWaalsContact O-N 3.11Å; N1172-L1174 PolarHBondContact O-N 2.81Å; L1174-V1177 PolarHBondContact O-N 3.39Å; L1174-R1178 PolarHBondContact O-N 3.44Å; L1174-R1178 VanDerWaalsContact O-N 3.07Å; L1174-W1203 HydrophobicContact CB-CZ2 4.43Å; L1174-W1203 HydrophobicContact CD2-CH2 3.76Å; L1174-W1203 HydrophobicContact CD2-CZ2 3.46Å; L1174-W1203 VanDerWaalsContact CD2-CZ2 3.46Å; L1174-W1203 HydrophobicContact CD2-CZ3 4.46Å; L1174-W1203 PolarHBondContact O-NE1 3.44Å; L1174-L1206 HydrophobicContact CD1-CB 4.07Å; L1174-I1207 HydrophobicContact CB-CD1 4.29Å; L1174-I1207 HydrophobicContact CB-CG1 3.52Å; L1174-I1207 HydrophobicContact CD1-CG1 4.13Å; L1174-I1207 HydrophobicContact CG-CG1 4.49Å; L1174-P1293 HydrophobicContact CD2-CG 4.28Å
1175I95.6Very high94.1Very high44 Ų4439.3 Ų39.323%0.22620%0.201CC..Hα-helixtrans-66.8-44.4177.9-69.1167.3000110.9N1171 N1172 V1177 R1178 D1179 I1207N1171-I1175 WeakPolarHBondContact O-CG1 3.36Å; N1171-I1175 PolarHBondContact O-N 2.9Å; N1172-I1175 PolarHBondContact O-N 2.91Å; I1175-V1177 VanDerWaalsContact C-N 3.3Å; I1175-V1177 PolarHBondContact O-N 2.84Å; I1175-R1178 PolarHBondContact O-N 3.06Å; I1175-D1179 WeakPolarHBondContact O-CB 3.45Å; I1175-D1179 PolarHBondContact O-N 3.15Å; I1175-I1207 HydrophobicContact CD1-CG2 4.4Å; I1175-I1207 HydrophobicContact CG1-CG2 3.82Å
1176E94Very high94Very high42 Ų4235.1 Ų35.120%0.19618%0.183CC..Hα-helixtrans-54.1-46.1173.9-75.9161.7178.700110.9N1172 S1173 D1179 V1180 K1280 I1281N1172-E1176 WeakPolarHBondContact O-CB 3.48Å; N1172-E1176 WeakPolarHBondContact O-CG 2.99Å; N1172-E1176 PolarHBondContact O-N 2.78Å; S1173-E1176 WeakPolarHBondContact CA-OE2 3.39Å; S1173-E1176 PolarHBondContact OG-OE2 2.73Å; E1176-D1179 PolarHBondContact O-N 3.39Å; E1176-V1180 VanDerWaalsContact O-CB 3.26Å; E1176-V1180 WeakPolarHBondContact O-CB 3.44Å; E1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; E1176-V1180 PolarHBondContact O-N 2.64Å; E1176-K1280 HydrophobicContact CG-CB 4.41Å; E1176-I1281 HydrophobicContact CB-CG2 4.43Å
1177V94.7Very high93.7Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-65.8-41.4177.9172.30000112.3S1173 L1174 I1175 D1179 F1181 Y1182 F1200 W1203 L1286 Y1289S1173-V1177 WeakPolarHBondContact O-CG2 3.43Å; S1173-V1177 PolarHBondContact O-N 2.8Å; L1174-V1177 PolarHBondContact O-N 3.39Å; I1175-V1177 VanDerWaalsContact C-N 3.3Å; I1175-V1177 PolarHBondContact O-N 2.84Å; V1177-D1179 VanDerWaalsContact C-N 3.27Å; V1177-D1179 PolarHBondContact O-N 2.96Å; V1177-F1181 HydrophobicContact CG1-CD2 4.32Å; V1177-F1181 WeakPolarHBondContact O-CA 3.34Å; V1177-F1181 WeakPolarHBondContact O-CB 3.38Å; V1177-F1181 PolarHBondContact O-N 2.98Å; V1177-Y1182 PolarHBondContact O-N 2.94Å; V1177-Y1182 VanDerWaalsContact O-N 3.15Å; V1177-F1200 HydrophobicContact CG1-CD1 4.31Å; V1177-F1200 HydrophobicContact CG1-CE1 3.61Å; V1177-W1203 HydrophobicContact CB-CZ2 3.65Å; V1177-W1203 HydrophobicContact CG1-CH2 4.26Å; V1177-W1203 HydrophobicContact CG1-CZ2 3.52Å; V1177-W1203 HydrophobicContact CG2-CZ2 4Å; V1177-L1286 HydrophobicContact CG1-CD1 4.06Å; V1177-Y1289 VanDerWaalsContact CG2-CB 3.48Å; V1177-Y1289 HydrophobicContact CG2-CD1 3.21Å; V1177-Y1289 HydrophobicContact CG2-CD2 4.38Å; V1177-Y1289 HydrophobicContact CG2-CE1 4.03Å; V1177-Y1289 HydrophobicContact CG2-CG 3.44Å; V1177-Y1289 VanDerWaalsContact CG2-CG 3.44Å
1178R94.2Very high93.4Very high57 Ų5738.6 Ų38.622%0.21521%0.214CC..Iπ-helixtrans-61-40.4176.1-175.1-161.865-161.7-6.6111.2L1174 I1175 Y1182 K1183 I1207L1174-R1178 PolarHBondContact O-N 3.44Å; L1174-R1178 VanDerWaalsContact O-N 3.07Å; I1175-R1178 PolarHBondContact O-N 3.06Å; R1178-Y1182 HydrophobicContact CG-CD1 4.33Å; R1178-Y1182 PolarHBondContact O-N 3.15Å; R1178-K1183 WeakPolarHBondContact O-CB 3.24Å; R1178-K1183 WeakPolarHBondContact O-CG 3.38Å; R1178-K1183 PolarHBondContact O-N 2.69Å; R1178-I1207 HydrophobicContact CB-CD1 3.77Å; R1178-I1207 HydrophobicContact CG-CD1 4.2Å
1179D93.5Very high93Very high54 Ų5444.4 Ų44.429%0.28924%0.236SC..Iπ-helixtrans-88-28.4-171.5-66-15000113.5I1175 E1176 V1177 K1183I1175-D1179 WeakPolarHBondContact O-CB 3.45Å; I1175-D1179 PolarHBondContact O-N 3.15Å; E1176-D1179 PolarHBondContact O-N 3.39Å; V1177-D1179 VanDerWaalsContact C-N 3.27Å; V1177-D1179 PolarHBondContact O-N 2.96Å; D1179-K1183 WeakPolarHBondContact OD1-CD 3.29Å; D1179-K1183 WeakPolarHBondContact OD1-CE 3.03Å; D1179-K1183 IonicContact OD1-NZ 2.63Å; D1179-K1183 PolarHBondContact OD1-NZ 3.36Å
1180V93.2Very high92.5Very high7 Ų743.5 Ų43.54%0.04222%0.223CC..Iπ-helixtrans-93.3-34.1177.9176.40000112.8E1176 P1184 F1275 N1278 K1280 I1281E1176-V1180 VanDerWaalsContact O-CB 3.26Å; E1176-V1180 WeakPolarHBondContact O-CB 3.44Å; E1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; E1176-V1180 PolarHBondContact O-N 2.64Å; V1180-P1184 WeakPolarHBondContact O-CG 3.37Å; V1180-F1275 HydrophobicContact CG1-CB 4.1Å; V1180-F1275 WeakPolarHBondContact O-CD2 3.36Å; V1180-N1278 HydrophobicContact CG1-CB 3.94Å; V1180-K1280 HydrophobicContact CG2-CB 4.32Å; V1180-K1280 HydrophobicContact CG2-CD 4.3Å; V1180-I1281 HydrophobicContact CB-CG2 4.22Å; V1180-I1281 HydrophobicContact CG1-CD1 4.24Å; V1180-I1281 HydrophobicContact CG1-CG2 4.2Å; V1180-I1281 HydrophobicContact CG2-CG2 4.24Å
1181F93.4Very high92.1Very high0 Ų043.2 Ų43.20%022%0.223CC..Iπ-helixtrans-111.4-61.8-177.7-62.8-77.9000113.1V1177 K1183 P1184 M1185 F1200 V1272 F1275 E1276 I1281 L1286V1177-F1181 HydrophobicContact CG1-CD2 4.32Å; V1177-F1181 WeakPolarHBondContact O-CA 3.34Å; V1177-F1181 WeakPolarHBondContact O-CB 3.38Å; V1177-F1181 PolarHBondContact O-N 2.98Å; F1181-K1183 PolarHBondContact O-N 2.81Å; F1181-P1184 WeakPolarHBondContact O-CD 3.35Å; F1181-M1185 HydrophobicContact CB-SD 3.94Å; F1181-M1185 HydrophobicContact CD1-SD 4.46Å; F1181-M1185 VanDerWaalsContact O-CB 3.24Å; F1181-M1185 WeakPolarHBondContact O-CB 3.49Å; F1181-M1185 WeakPolarHBondContact O-CG 3.47Å; F1181-M1185 PolarHBondContact O-N 3.19Å; F1181-F1200 HydrophobicContact CB-CZ 3.98Å; F1181-V1272 HydrophobicContact CE1-CG1 4.19Å; F1181-F1275 HydrophobicContact CD1-CB 3.77Å; F1181-F1275 HydrophobicContact CD1-CD2 4.09Å; F1181-F1275 HydrophobicContact CD1-CG 4.45Å; F1181-F1275 HydrophobicContact CE1-CB 3.59Å; F1181-F1275 HydrophobicContact CZ-CB 4.43Å; F1181-E1276 HydrophobicContact CE1-CG 3.94Å; F1181-E1276 HydrophobicContact CZ-CG 3.88Å; F1181-I1281 HydrophobicContact CE1-CD1 4.48Å; F1181-I1281 HydrophobicContact CE2-CD1 3.71Å; F1181-I1281 HydrophobicContact CE2-CG2 4.02Å; F1181-I1281 HydrophobicContact CZ-CD1 3.43Å; F1181-I1281 VanDerWaalsContact CZ-CD1 3.43Å; F1181-L1286 HydrophobicContact CB-CD1 4.12Å; F1181-L1286 HydrophobicContact CB-CD2 4.35Å; F1181-L1286 HydrophobicContact CD1-CB 4.26Å; F1181-L1286 HydrophobicContact CD1-CD1 4.29Å; F1181-L1286 HydrophobicContact CD1-CD2 4.01Å; F1181-L1286 HydrophobicContact CD1-CG 4.41Å; F1181-L1286 HydrophobicContact CD2-CD1 3.71Å; F1181-L1286 HydrophobicContact CE1-CB 3.94Å; F1181-L1286 HydrophobicContact CE1-CD2 4.49Å; F1181-L1286 HydrophobicContact CE2-CB 4.29Å; F1181-L1286 HydrophobicContact CE2-CD1 4.08Å; F1181-L1286 HydrophobicContact CG-CD1 3.8Å; F1181-L1286 HydrophobicContact CG-CD2 4.19Å; F1181-L1286 HydrophobicContact CG-CG 4.4Å; F1181-L1286 HydrophobicContact CZ-CB 3.94Å
1182Y93.1Very high91.8Very high25 Ų2546.6 Ų46.610%0.09824%0.243CC..Iπ-helixtrans-59.6-49.9-171.9175.4-90.5000113V1177 R1178 K1186 F1200V1177-Y1182 PolarHBondContact O-N 2.94Å; V1177-Y1182 VanDerWaalsContact O-N 3.15Å; R1178-Y1182 HydrophobicContact CG-CD1 4.33Å; R1178-Y1182 PolarHBondContact O-N 3.15Å; Y1182-K1186 HydrophobicContact CE1-CD 3.86Å; Y1182-K1186 WeakPolarHBondContact O-CB 3.33Å; Y1182-K1186 PolarHBondContact O-N 3.42Å; Y1182-K1186 PolarHBondContact OH-NZ 2.89Å; Y1182-K1186 VanDerWaalsContact OH-NZ 3.13Å; Y1182-F1200 HydrophobicContact CD2-CB 4.05Å; Y1182-F1200 AromaticContact CD2-CD2 3.74Å; Y1182-F1200 HydrophobicContact CD2-CD2 3.74Å; Y1182-F1200 HydrophobicContact CD2-CE2 4.39Å; Y1182-F1200 AromaticContact CD2-CG 3.98Å; Y1182-F1200 HydrophobicContact CD2-CG 3.98Å
1183K92.3Very high91.4Very high106 Ų10645 Ų4546%0.46124%0.235SC..Hα-helixtrans-61.7-51-180-79.5176.8-175.9165.50111.5R1178 D1179 F1181 K1186 A1187R1178-K1183 WeakPolarHBondContact O-CB 3.24Å; R1178-K1183 WeakPolarHBondContact O-CG 3.38Å; R1178-K1183 PolarHBondContact O-N 2.69Å; D1179-K1183 WeakPolarHBondContact OD1-CD 3.29Å; D1179-K1183 WeakPolarHBondContact OD1-CE 3.03Å; D1179-K1183 IonicContact OD1-NZ 2.63Å; D1179-K1183 PolarHBondContact OD1-NZ 3.36Å; F1181-K1183 PolarHBondContact O-N 2.81Å; K1183-K1186 PolarHBondContact O-N 3.17Å; K1183-A1187 WeakPolarHBondContact O-CB 3.41Å; K1183-A1187 PolarHBondContact O-N 3.12Å
1184P90.5Very high91Very high37 Ų3750 Ų5024%0.2426%0.257CS..Hα-helixtrans-65.1-41176.6-28.940.4000115V1180 F1181 K1186 A1187 S1188 F1275V1180-P1184 WeakPolarHBondContact O-CG 3.37Å; F1181-P1184 WeakPolarHBondContact O-CD 3.35Å; P1184-K1186 VanDerWaalsContact C-N 3.27Å; P1184-K1186 PolarHBondContact O-N 3.29Å; P1184-A1187 PolarHBondContact O-N 3.44Å; P1184-A1187 VanDerWaalsContact O-N 3.14Å; P1184-S1188 PolarHBondContact O-N 3.22Å; P1184-F1275 HydrophobicContact CB-CD2 4.31Å; P1184-F1275 HydrophobicContact CB-CE1 3.96Å; P1184-F1275 HydrophobicContact CB-CE2 3.44Å; P1184-F1275 VanDerWaalsContact CB-CE2 3.44Å; P1184-F1275 HydrophobicContact CB-CZ 3.24Å; P1184-F1275 HydrophobicContact CG-CE2 4.44Å; P1184-F1275 HydrophobicContact CG-CZ 4.28Å
1185M91Very high90.8Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-65.9-28.8177-67.1166.869.500112.5F1181 S1188 L1191 L1196 F1200 L1268 L1271 V1272 F1275 L1286F1181-M1185 HydrophobicContact CB-SD 3.94Å; F1181-M1185 HydrophobicContact CD1-SD 4.46Å; F1181-M1185 VanDerWaalsContact O-CB 3.24Å; F1181-M1185 WeakPolarHBondContact O-CB 3.49Å; F1181-M1185 WeakPolarHBondContact O-CG 3.47Å; F1181-M1185 PolarHBondContact O-N 3.19Å; M1185-S1188 PolarHBondContact O-OG 2.91Å; M1185-L1191 HydrophobicContact CE-CD1 3.54Å; M1185-L1196 HydrophobicContact CB-CD2 3.9Å; M1185-F1200 HydrophobicContact CE-CE2 4.27Å; M1185-F1200 HydrophobicContact SD-CE2 4.14Å; M1185-F1200 HydrophobicContact SD-CZ 4.26Å; M1185-L1268 HydrophobicContact CE-CD1 4.39Å; M1185-L1271 HydrophobicContact CG-CD2 4.31Å; M1185-V1272 HydrophobicContact CE-CG2 4.16Å; M1185-V1272 HydrophobicContact CG-CG2 4.49Å; M1185-V1272 HydrophobicContact SD-CG2 4.07Å; M1185-F1275 HydrophobicContact CG-CD2 4.42Å; M1185-F1275 HydrophobicContact CG-CE2 4.05Å; M1185-L1286 HydrophobicContact CE-CD2 4.44Å; M1185-L1286 HydrophobicContact SD-CD2 4.17Å
1186K90.9Very high90.6Very high77 Ų7750.9 Ų50.934%0.33526%0.26SS..Hα-helixtrans-75.2-37.8170.7-173.4175.6-174.7170.70112.4Y1182 K1183 P1184 K1189 L1196Y1182-K1186 HydrophobicContact CE1-CD 3.86Å; Y1182-K1186 WeakPolarHBondContact O-CB 3.33Å; Y1182-K1186 PolarHBondContact O-N 3.42Å; Y1182-K1186 PolarHBondContact OH-NZ 2.89Å; Y1182-K1186 VanDerWaalsContact OH-NZ 3.13Å; K1183-K1186 PolarHBondContact O-N 3.17Å; P1184-K1186 VanDerWaalsContact C-N 3.27Å; P1184-K1186 PolarHBondContact O-N 3.29Å; K1186-K1189 PolarHBondContact O-N 3.3Å; K1186-L1196 HydrophobicContact CB-CD1 3.92Å; K1186-L1196 HydrophobicContact CG-CD1 4.13Å
1187A90.4Very high90.4Very high79 Ų7952.5 Ų52.565%0.65327%0.27SS*.Hα-helixtrans-69.9-34.2177.900000112.7K1183 P1184 K1189K1183-A1187 WeakPolarHBondContact O-CB 3.41Å; K1183-A1187 PolarHBondContact O-N 3.12Å; P1184-A1187 PolarHBondContact O-N 3.44Å; P1184-A1187 VanDerWaalsContact O-N 3.14Å; A1187-K1189 PolarHBondContact O-N 3.26Å
1188S88Confident90.1Very high41 Ų4154.6 Ų54.629%0.28728%0.281SS..THydrogen-bonded Turntrans-69.8-16178.171.80000113.9P1184 M1185 M1190P1184-S1188 PolarHBondContact O-N 3.22Å; M1185-S1188 PolarHBondContact O-OG 2.91Å; S1188-M1190 PolarHBondContact O-N 3.36Å; S1188-M1190 WeakPolarHBondContact OG-CG 3.29Å
1189K86.1Confident90Very high183 Ų18351.9 Ų51.980%0.79627%0.271SS*.  trans5714.3-178-56.4176.6-177.2174.90114.8K1186 A1187 L1191K1186-K1189 PolarHBondContact O-N 3.3Å; A1187-K1189 PolarHBondContact O-N 3.26Å; K1189-L1191 PolarHBondContact O-N 3.04Å
1190M84.8Confident90.1Very high38 Ų3849.7 Ų49.719%0.18726%0.259CS..  trans-76.3-13.9-178.8-58.3173.495.300113.6E727 S1188 R1267 L1268 L1271E727-M1190 WeakPolarHBondContact OE1-CE 3.18Å; S1188-M1190 PolarHBondContact O-N 3.36Å; S1188-M1190 WeakPolarHBondContact OG-CG 3.29Å; M1190-R1267 HydrophobicContact CE-CB 3.34Å; M1190-L1268 HydrophobicContact CB-CD1 4.26Å; M1190-L1268 HydrophobicContact CE-CB 4.22Å; M1190-L1268 VanDerWaalsContact CE-N 3.33Å; M1190-L1268 HydrophobicContact SD-CB 4.42Å; M1190-L1268 HydrophobicContact SD-CD1 4.24Å; M1190-L1271 HydrophobicContact SD-CB 4.45Å; M1190-L1271 HydrophobicContact SD-CD1 4.01Å; M1190-L1271 HydrophobicContact SD-CD2 4.14Å; M1190-L1271 HydrophobicContact SD-CG 4.45Å
1191L87.3Confident89.9Confident11 Ų1149.5 Ų49.56%0.05826%0.258CS..SBendtrans-121.6140.4174.9-70.2175.3000109.1M1185 K1189 Q1195 L1196 I1199 C1261 L1268M1185-L1191 HydrophobicContact CE-CD1 3.54Å; K1189-L1191 PolarHBondContact O-N 3.04Å; L1191-Q1195 HydrophobicContact CB-CB 4.35Å; L1191-Q1195 HydrophobicContact CD2-CB 4.13Å; L1191-L1196 HydrophobicContact CB-CD1 4.24Å; L1191-L1196 HydrophobicContact CB-CD2 4.29Å; L1191-L1196 HydrophobicContact CB-CG 3.82Å; L1191-L1196 HydrophobicContact CD1-CD2 3.83Å; L1191-L1196 HydrophobicContact CD1-CG 4.18Å; L1191-I1199 HydrophobicContact CD1-CD1 3.91Å; L1191-C1261 HydrophobicContact CD2-CB 3.86Å; L1191-L1268 HydrophobicContact CD1-CD1 4.37Å; L1191-L1268 HydrophobicContact CD1-CD2 3.99Å; L1191-L1268 HydrophobicContact CD2-CD2 3.6Å; L1191-L1268 HydrophobicContact CG-CD1 4.35Å; L1191-L1268 HydrophobicContact CG-CD2 3.78Å
1192T89.2Confident89.7Confident80 Ų8052.2 Ų52.249%0.49127%0.27SS..  trans-63.5154.4167.463.50000110.1Q1194 Q1195 L1196T1192-Q1194 PolarHBondContact O-N 2.83Å; T1192-Q1195 PolarHBondContact O-N 3.09Å; T1192-Q1195 VanDerWaalsContact O-N 3.15Å; T1192-Q1195 VanDerWaalsContact OG1-CG 3.32Å; T1192-Q1195 WeakPolarHBondContact OG1-CG 3.29Å; T1192-Q1195 PolarHBondContact OG1-N 3.43Å; T1192-Q1195 PolarHBondContact OG1-OE1 3.05Å; T1192-L1196 PolarHBondContact O-N 3.31Å
1193L87.5Confident89.8Confident50 Ų5051.2 Ų51.226%0.26227%0.266SS..Hα-helixtrans-65.1-21.3176.4-112150.6000112.9N1197 P1567L1193-N1197 WeakPolarHBondContact O-CB 3.23Å; L1193-N1197 PolarHBondContact O-N 2.87Å; L1193-N1197 VanDerWaalsContact O-N 3.11Å; L1193-N1197 PolarHBondContact O-ND2 2.88Å; L1193-N1197 VanDerWaalsContact O-ND2 3.13Å; L1193-P1567 HydrophobicContact CB-CB 4.4Å; L1193-P1567 HydrophobicContact CD1-CB 3.44Å; L1193-P1567 VanDerWaalsContact CD1-CB 3.44Å
1194Q86.3Confident89.8Confident118 Ų11849.5 Ų49.555%0.55126%0.262SS*.Hα-helixtrans-67.4-55.1168.4-171.657.442.600110.8T1192 L1196 N1197 D1198T1192-Q1194 PolarHBondContact O-N 2.83Å; Q1194-L1196 PolarHBondContact O-N 2.85Å; Q1194-N1197 CarbonylContact O-C 3.45Å; Q1194-N1197 WeakPolarHBondContact O-CA 3.43Å; Q1194-N1197 WeakPolarHBondContact O-CB 3.35Å; Q1194-N1197 PolarHBondContact O-N 2.94Å; Q1194-D1198 PolarHBondContact NE2-OD1 3.45Å; Q1194-D1198 PolarHBondContact O-N 3.08Å
1195Q90.5Very high89.8Confident61 Ų6152 Ų5229%0.28527%0.27SS..Hα-helixtrans-56.6-36.5177-71.5161.1-50.400112.9L1191 T1192 D1198 I1199L1191-Q1195 HydrophobicContact CB-CB 4.35Å; L1191-Q1195 HydrophobicContact CD2-CB 4.13Å; T1192-Q1195 PolarHBondContact O-N 3.09Å; T1192-Q1195 VanDerWaalsContact O-N 3.15Å; T1192-Q1195 VanDerWaalsContact OG1-CG 3.32Å; T1192-Q1195 WeakPolarHBondContact OG1-CG 3.29Å; T1192-Q1195 PolarHBondContact OG1-N 3.43Å; T1192-Q1195 PolarHBondContact OG1-OE1 3.05Å; Q1195-D1198 PolarHBondContact O-N 3.45Å; Q1195-I1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-I1199 WeakPolarHBondContact O-CD1 3.12Å; Q1195-I1199 VanDerWaalsContact O-CG1 3.24Å; Q1195-I1199 WeakPolarHBondContact O-CG1 3.25Å; Q1195-I1199 PolarHBondContact O-N 3.18Å
1196L91.5Very high90Very high2 Ų252 Ų521%0.0127%0.27CS..Hα-helixtrans-66.6-38.4174.1-77.5163000112.8M1185 K1186 L1191 T1192 Q1194 F1200M1185-L1196 HydrophobicContact CB-CD2 3.9Å; K1186-L1196 HydrophobicContact CB-CD1 3.92Å; K1186-L1196 HydrophobicContact CG-CD1 4.13Å; L1191-L1196 HydrophobicContact CB-CD1 4.24Å; L1191-L1196 HydrophobicContact CB-CD2 4.29Å; L1191-L1196 HydrophobicContact CB-CG 3.82Å; L1191-L1196 HydrophobicContact CD1-CD2 3.83Å; L1191-L1196 HydrophobicContact CD1-CG 4.18Å; T1192-L1196 PolarHBondContact O-N 3.31Å; Q1194-L1196 PolarHBondContact O-N 2.85Å; L1196-F1200 HydrophobicContact CD2-CE2 4.5Å; L1196-F1200 WeakPolarHBondContact O-CB 3.18Å; L1196-F1200 PolarHBondContact O-N 3.23Å
1197N89.3Confident90.2Very high76 Ų7648.4 Ų48.441%0.40626%0.255SS..Hα-helixtrans-71.5-33.3174.3-67.6-20.8000111.6L1193 Q1194 F1200 P1201L1193-N1197 WeakPolarHBondContact O-CB 3.23Å; L1193-N1197 PolarHBondContact O-N 2.87Å; L1193-N1197 VanDerWaalsContact O-N 3.11Å; L1193-N1197 PolarHBondContact O-ND2 2.88Å; L1193-N1197 VanDerWaalsContact O-ND2 3.13Å; Q1194-N1197 CarbonylContact O-C 3.45Å; Q1194-N1197 WeakPolarHBondContact O-CA 3.43Å; Q1194-N1197 WeakPolarHBondContact O-CB 3.35Å; Q1194-N1197 PolarHBondContact O-N 2.94Å; N1197-F1200 CarbonylContact O-C 3.47Å; N1197-P1201 WeakPolarHBondContact O-CA 3.36Å
1198D89.3Confident90.3Very high45 Ų4548.1 Ų48.124%0.24124%0.243CC..Hα-helixtrans-68.7-38.9176.4-60.1-30.5000111.3Q1194 Q1195 P1201 A1254 T1257Q1194-D1198 PolarHBondContact NE2-OD1 3.45Å; Q1194-D1198 PolarHBondContact O-N 3.08Å; Q1195-D1198 PolarHBondContact O-N 3.45Å; D1198-P1201 WeakPolarHBondContact O-CD 3.23Å; D1198-A1254 WeakPolarHBondContact O-CA 3.36Å; D1198-A1254 WeakPolarHBondContact O-CB 3.42Å; D1198-T1257 HydrophobicContact CB-CG2 4.07Å
1199I93.1Very high90.6Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-76.3-34.4176.1-66.2166.2000112.3L1191 Q1195 P1201 T1257 L1258 L1290L1191-I1199 HydrophobicContact CD1-CD1 3.91Å; Q1195-I1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-I1199 WeakPolarHBondContact O-CD1 3.12Å; Q1195-I1199 VanDerWaalsContact O-CG1 3.24Å; Q1195-I1199 WeakPolarHBondContact O-CG1 3.25Å; Q1195-I1199 PolarHBondContact O-N 3.18Å; I1199-P1201 VanDerWaalsContact O-CD 3.31Å; I1199-P1201 WeakPolarHBondContact O-CD 3.31Å; I1199-T1257 HydrophobicContact CD1-CG2 4.25Å; I1199-T1257 HydrophobicContact CG1-CG2 3.86Å; I1199-L1258 HydrophobicContact CD1-CB 4.37Å; I1199-L1258 HydrophobicContact CD1-CD1 4.25Å; I1199-L1258 HydrophobicContact CG1-CB 4.15Å; I1199-L1258 HydrophobicContact CG2-CB 4.26Å; I1199-L1258 HydrophobicContact CG2-CD1 4.26Å; I1199-L1290 HydrophobicContact CG2-CD1 4.31Å; I1199-L1290 WeakPolarHBondContact O-CD2 3.33Å
1200F95Very high90.9Very high7 Ų738.2 Ų38.23%0.03120%0.196CC..SBendtrans-120.156.9-179.1-61.8-78.5000112.4V1177 F1181 Y1182 M1185 L1196 N1197 H1202 W1203 L1286 L1290V1177-F1200 HydrophobicContact CG1-CD1 4.31Å; V1177-F1200 HydrophobicContact CG1-CE1 3.61Å; F1181-F1200 HydrophobicContact CB-CZ 3.98Å; Y1182-F1200 HydrophobicContact CD2-CB 4.05Å; Y1182-F1200 AromaticContact CD2-CD2 3.74Å; Y1182-F1200 HydrophobicContact CD2-CD2 3.74Å; Y1182-F1200 HydrophobicContact CD2-CE2 4.39Å; Y1182-F1200 AromaticContact CD2-CG 3.98Å; Y1182-F1200 HydrophobicContact CD2-CG 3.98Å; M1185-F1200 HydrophobicContact CE-CE2 4.27Å; M1185-F1200 HydrophobicContact SD-CE2 4.14Å; M1185-F1200 HydrophobicContact SD-CZ 4.26Å; L1196-F1200 HydrophobicContact CD2-CE2 4.5Å; L1196-F1200 WeakPolarHBondContact O-CB 3.18Å; L1196-F1200 PolarHBondContact O-N 3.23Å; N1197-F1200 CarbonylContact O-C 3.47Å; F1200-H1202 PolarHBondContact O-N 3.16Å; F1200-W1203 HydrophobicContact CB-CB 3.96Å; F1200-W1203 HydrophobicContact CB-CG 4.47Å; F1200-W1203 HydrophobicContact CD1-CD2 4.2Å; F1200-W1203 HydrophobicContact CD1-CE3 4.39Å; F1200-W1203 HydrophobicContact CD1-CG 4.33Å; F1200-W1203 PolarHBondContact O-N 2.82Å; F1200-L1286 HydrophobicContact CE1-CD1 3.91Å; F1200-L1286 HydrophobicContact CZ-CD1 3.97Å; F1200-L1286 HydrophobicContact CZ-CD2 3.99Å; F1200-L1290 HydrophobicContact CD1-CD2 4.02Å; F1200-L1290 HydrophobicContact CE1-CD2 4.04Å
1201P89.3Confident91.5Very high3 Ų338.4 Ų38.42%0.01920%0.199CC..THydrogen-bonded Turntrans-63.8129.4-173.326.8-34.1000110.1N1197 D1198 I1199 W1203 Y1247 Q1250 A1254N1197-P1201 WeakPolarHBondContact O-CA 3.36Å; D1198-P1201 WeakPolarHBondContact O-CD 3.23Å; I1199-P1201 VanDerWaalsContact O-CD 3.31Å; I1199-P1201 WeakPolarHBondContact O-CD 3.31Å; P1201-W1203 PolarHBondContact O-N 2.69Å; P1201-Y1247 HydrophobicContact CG-CD2 3.95Å; P1201-Y1247 HydrophobicContact CG-CE2 3.87Å; P1201-Y1247 WeakPolarHBondContact O-CD2 3.34Å; P1201-Q1250 HydrophobicContact CB-CB 4Å; P1201-Q1250 HydrophobicContact CG-CB 4Å; P1201-A1254 HydrophobicContact CG-CB 4.25Å
1202H89Confident91.7Very high57 Ų5740 Ų4026%0.26421%0.206SC..THydrogen-bonded Turntrans50.222.6179.5-58.5-78.9000115.7F1200 N1204 E1205 L1206 V1243F1200-H1202 PolarHBondContact O-N 3.16Å; H1202-N1204 PolarHBondContact O-N 2.91Å; H1202-E1205 IonicContact CE1-OE1 3.18Å; H1202-E1205 IonicContact CG-OE1 2.78Å; H1202-E1205 IonicContact ND1-OE1 2.76Å; H1202-E1205 PolarHBondContact ND1-OE1 2.73Å; H1202-E1205 IonicContact ND1-OE2 3.41Å; H1202-E1205 PolarHBondContact O-N 2.94Å; H1202-E1205 VanDerWaalsContact O-N 3.16Å; H1202-L1206 PolarHBondContact O-N 2.83Å; H1202-V1243 HydrophobicContact CB-CG2 3.98Å
1203W94.1Very high92Very high5 Ų536.2 Ų36.22%0.01918%0.183CC..Hα-helixtrans-64.6-35.5-170.2-165.3-90.2000113.7L1174 V1177 F1200 P1201 L1206 I1207 Y1247 L1290 P1293L1174-W1203 HydrophobicContact CB-CZ2 4.43Å; L1174-W1203 HydrophobicContact CD2-CH2 3.76Å; L1174-W1203 HydrophobicContact CD2-CZ2 3.46Å; L1174-W1203 VanDerWaalsContact CD2-CZ2 3.46Å; L1174-W1203 HydrophobicContact CD2-CZ3 4.46Å; L1174-W1203 PolarHBondContact O-NE1 3.44Å; V1177-W1203 HydrophobicContact CB-CZ2 3.65Å; V1177-W1203 HydrophobicContact CG1-CH2 4.26Å; V1177-W1203 HydrophobicContact CG1-CZ2 3.52Å; V1177-W1203 HydrophobicContact CG2-CZ2 4Å; F1200-W1203 HydrophobicContact CB-CB 3.96Å; F1200-W1203 HydrophobicContact CB-CG 4.47Å; F1200-W1203 HydrophobicContact CD1-CD2 4.2Å; F1200-W1203 HydrophobicContact CD1-CE3 4.39Å; F1200-W1203 HydrophobicContact CD1-CG 4.33Å; F1200-W1203 PolarHBondContact O-N 2.82Å; P1201-W1203 PolarHBondContact O-N 2.69Å; W1203-L1206 WeakPolarHBondContact O-CB 3.4Å; W1203-L1206 PolarHBondContact O-N 2.87Å; W1203-I1207 WeakPolarHBondContact O-CG1 3.32Å; W1203-I1207 PolarHBondContact O-N 3.04Å; W1203-I1207 VanDerWaalsContact O-N 3.14Å; W1203-Y1247 AromaticContact CE3-CE2 3.73Å; W1203-Y1247 HydrophobicContact CE3-CE2 3.73Å; W1203-Y1247 AromaticContact CZ3-CE2 3.83Å; W1203-Y1247 HydrophobicContact CZ3-CE2 3.83Å; W1203-Y1247 AromaticContact CZ3-CZ 3.9Å; W1203-L1290 HydrophobicContact CE3-CD2 4.34Å; W1203-L1290 HydrophobicContact CH2-CD2 4.31Å; W1203-L1290 HydrophobicContact CZ3-CD2 3.83Å; W1203-P1293 HydrophobicContact CH2-CG 4.34Å; W1203-P1293 HydrophobicContact CZ3-CG 3.99Å
1204N93Very high92.2Very high70 Ų7034.1 Ų34.137%0.37417%0.173SC..Hα-helixtrans-67.9-45174.5-63.2-46.4000111H1202 L1206 I1207 D1208H1202-N1204 PolarHBondContact O-N 2.91Å; N1204-L1206 PolarHBondContact O-N 2.81Å; N1204-I1207 CarbonylContact O-C 3.49Å; N1204-I1207 WeakPolarHBondContact O-CA 3.12Å; N1204-I1207 WeakPolarHBondContact O-CB 3.35Å; N1204-I1207 PolarHBondContact O-N 3.03Å; N1204-D1208 PolarHBondContact O-N 2.82Å; N1204-D1208 VanDerWaalsContact O-OD2 3.05Å
1205E90.5Very high92.5Very high88 Ų8834.9 Ų34.941%0.41117%0.17SC..Hα-helixtrans-59.8-31.4176.8-64.4173.7-117.900112.6H1202 T1209 V1243H1202-E1205 IonicContact CE1-OE1 3.18Å; H1202-E1205 IonicContact CG-OE1 2.78Å; H1202-E1205 IonicContact ND1-OE1 2.76Å; H1202-E1205 PolarHBondContact ND1-OE1 2.73Å; H1202-E1205 IonicContact ND1-OE2 3.41Å; H1202-E1205 PolarHBondContact O-N 2.94Å; H1202-E1205 VanDerWaalsContact O-N 3.16Å; E1205-T1209 VanDerWaalsContact O-CB 3.26Å; E1205-T1209 WeakPolarHBondContact O-CB 3.16Å; E1205-T1209 PolarHBondContact O-N 3.38Å; E1205-T1209 PolarHBondContact O-OG1 3.12Å; E1205-V1243 HydrophobicContact CB-CG2 3.57Å
1206L94.3Very high92.5Very high0 Ų033.5 Ų33.50%017%0.165CC..Hα-helixtrans-66.9-44.1170.4-78.3168.4000112.4L1174 H1202 W1203 N1204 S1210 V1243 Y1244 Y1247 P1293L1174-L1206 HydrophobicContact CD1-CB 4.07Å; H1202-L1206 PolarHBondContact O-N 2.83Å; W1203-L1206 WeakPolarHBondContact O-CB 3.4Å; W1203-L1206 PolarHBondContact O-N 2.87Å; N1204-L1206 PolarHBondContact O-N 2.81Å; L1206-S1210 VanDerWaalsContact O-CB 3.24Å; L1206-S1210 WeakPolarHBondContact O-CB 3.35Å; L1206-S1210 PolarHBondContact O-N 3.02Å; L1206-V1243 HydrophobicContact CD2-CG1 3.85Å; L1206-V1243 HydrophobicContact CD2-CG2 4.2Å; L1206-V1243 HydrophobicContact CG-CG1 4.46Å; L1206-V1243 HydrophobicContact CG-CG2 4Å; L1206-Y1244 HydrophobicContact CD2-CD1 3.77Å; L1206-Y1244 HydrophobicContact CD2-CD2 3.92Å; L1206-Y1244 HydrophobicContact CD2-CE1 3.79Å; L1206-Y1244 HydrophobicContact CD2-CE2 3.9Å; L1206-Y1244 HydrophobicContact CD2-CG 3.86Å; L1206-Y1247 HydrophobicContact CD1-CD2 3.46Å; L1206-Y1247 VanDerWaalsContact CD1-CD2 3.46Å; L1206-Y1247 HydrophobicContact CD1-CE2 4.15Å; L1206-Y1247 HydrophobicContact CD1-CG 3.71Å; L1206-P1293 HydrophobicContact CD1-CB 4.02Å; L1206-P1293 HydrophobicContact CD1-CG 3.87Å; L1206-P1293 HydrophobicContact CD2-CB 4.42Å
1207I95.4Very high92.4Very high3 Ų333.4 Ų33.42%0.01516%0.164CC..Hα-helixtrans-61.7-46.1174.8-69.5165.8000110.3N1171 L1174 I1175 R1178 W1203 N1204 S1210 T1211N1171-I1207 PolarHBondContact OD1-O 3.07Å; L1174-I1207 HydrophobicContact CB-CD1 4.29Å; L1174-I1207 HydrophobicContact CB-CG1 3.52Å; L1174-I1207 HydrophobicContact CD1-CG1 4.13Å; L1174-I1207 HydrophobicContact CG-CG1 4.49Å; I1175-I1207 HydrophobicContact CD1-CG2 4.4Å; I1175-I1207 HydrophobicContact CG1-CG2 3.82Å; R1178-I1207 HydrophobicContact CB-CD1 3.77Å; R1178-I1207 HydrophobicContact CG-CD1 4.2Å; W1203-I1207 WeakPolarHBondContact O-CG1 3.32Å; W1203-I1207 PolarHBondContact O-N 3.04Å; W1203-I1207 VanDerWaalsContact O-N 3.14Å; N1204-I1207 CarbonylContact O-C 3.49Å; N1204-I1207 WeakPolarHBondContact O-CA 3.12Å; N1204-I1207 WeakPolarHBondContact O-CB 3.35Å; N1204-I1207 PolarHBondContact O-N 3.03Å; I1207-S1210 PolarHBondContact O-N 2.8Å; I1207-T1211 WeakPolarHBondContact O-CB 3.49Å; I1207-T1211 PolarHBondContact O-N 2.91Å; I1207-T1211 PolarHBondContact O-OG1 3.41Å
1208D93.7Very high92.3Very high72 Ų7232 Ų3239%0.38516%0.157SC..Hα-helixtrans-65.4-44.4-176.6-55.8-30.7000110.3N1204 T1211 E1212N1204-D1208 PolarHBondContact O-N 2.82Å; N1204-D1208 VanDerWaalsContact O-OD2 3.05Å; D1208-T1211 PolarHBondContact O-N 3.46Å; D1208-E1212 WeakPolarHBondContact O-CB 3.34Å; D1208-E1212 PolarHBondContact O-N 2.8Å
1209T92.4Very high92.1Very high16 Ų1633 Ų3310%0.09816%0.162CC..Hα-helixtrans-62.3-47.3175-580000111.9E1205 F1213 K1240 F1241 V1243E1205-T1209 VanDerWaalsContact O-CB 3.26Å; E1205-T1209 WeakPolarHBondContact O-CB 3.16Å; E1205-T1209 PolarHBondContact O-N 3.38Å; E1205-T1209 PolarHBondContact O-OG1 3.12Å; T1209-F1213 WeakPolarHBondContact O-CB 3.24Å; T1209-F1213 PolarHBondContact O-N 3.47Å; T1209-K1240 HydrophobicContact CG2-CB 3.88Å; T1209-F1241 HydrophobicContact CG2-CD1 3.91Å; T1209-F1241 HydrophobicContact CG2-CE1 4.18Å; T1209-V1243 HydrophobicContact CG2-CG1 4.28Å
1210S94.2Very high91.6Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-69.5-34179.6-174.60000112.3E1167 Y1170 N1171 L1206 I1207 F1213 C1214E1167-S1210 WeakPolarHBondContact OE1-CB 3.37Å; E1167-S1210 PolarHBondContact OE1-OG 2.86Å; Y1170-S1210 WeakPolarHBondContact CD1-OG 3.44Å; N1171-S1210 WeakPolarHBondContact CB-OG 3.39Å; L1206-S1210 VanDerWaalsContact O-CB 3.24Å; L1206-S1210 WeakPolarHBondContact O-CB 3.35Å; L1206-S1210 PolarHBondContact O-N 3.02Å; I1207-S1210 PolarHBondContact O-N 2.8Å; S1210-F1213 PolarHBondContact O-N 3.41Å; S1210-C1214 WeakPolarHBondContact O-CB 3.2Å; S1210-C1214 PolarHBondContact O-N 2.8Å; S1210-C1214 PolarHBondContact O-SG 3.04Å
1211T95.6Very high90.7Very high42 Ų4239.2 Ų39.226%0.25820%0.195SC..Hα-helixtrans-70.5-40.6176.1-64.90000111.8N1171 I1207 D1208 R1215N1171-T1211 PolarHBondContact ND2-OG1 3.04Å; N1171-T1211 PolarHBondContact OD1-OG1 3.14Å; I1207-T1211 WeakPolarHBondContact O-CB 3.49Å; I1207-T1211 PolarHBondContact O-N 2.91Å; I1207-T1211 PolarHBondContact O-OG1 3.41Å; D1208-T1211 PolarHBondContact O-N 3.46Å; T1211-R1215 WeakPolarHBondContact O-CB 3.34Å; T1211-R1215 PolarHBondContact O-N 3.02Å
1212E92.3Very high89.8Confident46 Ų4646.4 Ų46.422%0.21523%0.226CC..Hα-helixtrans-66.6-39.3172.8-163.7-167.8148.100111.3D1208 R1215 D1216 K1236 H1237 K1240D1208-E1212 WeakPolarHBondContact O-CB 3.34Å; D1208-E1212 PolarHBondContact O-N 2.8Å; E1212-R1215 WeakPolarHBondContact O-CB 3.41Å; E1212-R1215 PolarHBondContact O-N 3.17Å; E1212-D1216 PolarHBondContact O-N 3.31Å; E1212-K1236 WeakPolarHBondContact OE1-CE 3.43Å; E1212-K1236 IonicContact OE1-NZ 3.12Å; E1212-K1236 PolarHBondContact OE1-NZ 3Å; E1212-H1237 IonicContact OE1-CE1 3.2Å; E1212-K1240 IonicContact OE1-NZ 2.7Å; E1212-K1240 PolarHBondContact OE1-NZ 2.9Å; E1212-K1240 IonicContact OE2-NZ 2.65Å; E1212-K1240 PolarHBondContact OE2-NZ 3.3Å
1213F94.7Very high88.6Confident0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-65.7-44.2176-172.1-147.8000112L1163 E1167 T1209 S1210 R1215 L1217 I1233 L1234 H1237 F1241 Y1300L1163-F1213 HydrophobicContact CD1-CE1 4.35Å; L1163-F1213 HydrophobicContact CD1-CZ 4.28Å; L1163-F1213 HydrophobicContact CD2-CZ 4.13Å; L1163-F1213 HydrophobicContact CG-CZ 4.44Å; E1167-F1213 HydrophobicContact CG-CD1 3.77Å; E1167-F1213 HydrophobicContact CG-CE1 4.26Å; E1167-F1213 HydrophobicContact CG-CG 4.44Å; T1209-F1213 WeakPolarHBondContact O-CB 3.24Å; T1209-F1213 PolarHBondContact O-N 3.47Å; S1210-F1213 PolarHBondContact O-N 3.41Å; F1213-R1215 PolarHBondContact O-N 3.47Å; F1213-L1217 HydrophobicContact CD1-CD1 4.11Å; F1213-L1217 HydrophobicContact CD2-CD1 3.76Å; F1213-L1217 HydrophobicContact CD2-CD2 4.45Å; F1213-L1217 HydrophobicContact CD2-CG 3.73Å; F1213-L1217 HydrophobicContact CE1-CD1 3.89Å; F1213-L1217 HydrophobicContact CE2-CD1 3.56Å; F1213-L1217 HydrophobicContact CE2-CD2 3.86Å; F1213-L1217 HydrophobicContact CE2-CG 3.59Å; F1213-L1217 HydrophobicContact CG-CD1 4.05Å; F1213-L1217 HydrophobicContact CG-CG 4.43Å; F1213-L1217 HydrophobicContact CZ-CD1 3.64Å; F1213-L1217 HydrophobicContact CZ-CD2 4.36Å; F1213-L1217 HydrophobicContact CZ-CG 4.17Å; F1213-L1217 WeakPolarHBondContact O-CB 3.24Å; F1213-L1217 VanDerWaalsContact O-CG 3.23Å; F1213-L1217 WeakPolarHBondContact O-CG 3.29Å; F1213-L1217 PolarHBondContact O-N 2.98Å; F1213-I1233 HydrophobicContact CD2-CG2 4.19Å; F1213-I1233 HydrophobicContact CE2-CG2 4.07Å; F1213-L1234 HydrophobicContact CE2-CD2 4.21Å; F1213-L1234 HydrophobicContact CZ-CD2 3.85Å; F1213-H1237 HydrophobicContact CD2-CB 3.83Å; F1213-H1237 AromaticContact CD2-CD2 3.34Å; F1213-H1237 WeakPolarHBondContact CD2-CD2 3.33Å; F1213-H1237 AromaticContact CD2-CG 3.51Å; F1213-H1237 AromaticContact CD2-NE2 4Å; F1213-H1237 HydrophobicContact CE2-CB 4.17Å; F1213-H1237 HydrophobicContact CG-CB 4.18Å; F1213-H1237 AromaticContact CG-CG 3.89Å; F1213-H1237 PolarHBondContact N-CE1 2.72Å; F1213-F1241 HydrophobicContact CD1-CE1 4.13Å; F1213-F1241 AromaticContact CD1-CZ 3.8Å; F1213-F1241 HydrophobicContact CD1-CZ 3.8Å; F1213-F1241 HydrophobicContact CE1-CE1 4.46Å; F1213-F1241 AromaticContact CE1-CZ 3.68Å; F1213-F1241 HydrophobicContact CE1-CZ 3.68Å; F1213-F1241 HydrophobicContact CG-CZ 4.45Å; F1213-F1241 HydrophobicContact CZ-CZ 4.2Å; F1213-Y1300 HydrophobicContact CD1-CE1 4.34Å; F1213-Y1300 HydrophobicContact CE1-CD1 4.38Å; F1213-Y1300 AromaticContact CE1-CE1 3.65Å; F1213-Y1300 HydrophobicContact CE1-CE1 3.65Å; F1213-Y1300 AromaticContact CE1-CZ 3.99Å
1214C92.6Very high86.8Confident6 Ų654.3 Ų54.34%0.04127%0.271CS..Hα-helixtrans-53.7-41.5169.8-76.70000112.2L1168 N1171 S1210 N1218L1168-C1214 HydrophobicContact CD2-CB 4.14Å; N1171-C1214 VanDerWaalsContact CB-SG 3.58Å; S1210-C1214 WeakPolarHBondContact O-CB 3.2Å; S1210-C1214 PolarHBondContact O-N 2.8Å; S1210-C1214 PolarHBondContact O-SG 3.04Å; C1214-N1218 WeakPolarHBondContact O-CB 3.38Å; C1214-N1218 VanDerWaalsContact O-CG 3.31Å; C1214-N1218 PolarHBondContact O-N 2.87Å; C1214-N1218 PolarHBondContact O-ND2 3.42Å
1215R91.9Very high84.6Confident134 Ų13456.3 Ų56.351%0.50629%0.29SS..Hα-helixtrans-65.9-57.5-177.3-168.8-174.9-54.5157.26.8110.7T1211 E1212 F1213 L1217 N1218 D1219T1211-R1215 WeakPolarHBondContact O-CB 3.34Å; T1211-R1215 PolarHBondContact O-N 3.02Å; E1212-R1215 WeakPolarHBondContact O-CB 3.41Å; E1212-R1215 PolarHBondContact O-N 3.17Å; F1213-R1215 PolarHBondContact O-N 3.47Å; R1215-L1217 VanDerWaalsContact C-N 3.28Å; R1215-L1217 PolarHBondContact O-N 2.69Å; R1215-N1218 PolarHBondContact O-N 3.29Å; R1215-N1218 VanDerWaalsContact O-N 3.08Å; R1215-D1219 PolarHBondContact O-N 2.96Å
1216D91Very high82.5Confident31 Ų3154.2 Ų54.217%0.16629%0.285CS..Hα-helixtrans-59.1-39.8179.2-66.7-4.4000111.9E1212 D1219 Y1220 I1233 K1236 H1237E1212-D1216 PolarHBondContact O-N 3.31Å; D1216-D1219 PolarHBondContact O-N 3.45Å; D1216-Y1220 PolarHBondContact O-N 3.03Å; D1216-I1233 HydrophobicContact CB-CG2 3.79Å; D1216-K1236 IonicContact OD1-NZ 3.53Å; D1216-K1236 PolarHBondContact OD1-NZ 2.95Å; D1216-K1236 WeakPolarHBondContact OD2-CD 3.4Å; D1216-K1236 WeakPolarHBondContact OD2-CE 3.46Å; D1216-K1236 IonicContact OD2-NZ 2.67Å; D1216-K1236 PolarHBondContact OD2-NZ 3.29Å; D1216-H1237 IonicContact OD2-CD2 2.69Å; D1216-H1237 IonicContact OD2-CE1 2.71Å; D1216-H1237 IonicContact OD2-NE2 2.78Å; D1216-H1237 PolarHBondContact OD2-NE2 3.31Å
1217L90.4Very high80.6Confident0 Ų060.1 Ų60.10%032%0.324CS..Hα-helixtrans-66.1-33.9176.3-79.4179.8000113.6L1163 I1164 E1167 F1213 R1215 I1230 I1233L1163-L1217 HydrophobicContact CD2-CD1 4.25Å; L1163-L1217 HydrophobicContact CD2-CD2 3.9Å; L1163-L1217 HydrophobicContact CG-CD1 4.03Å; L1163-L1217 HydrophobicContact CG-CD2 4.48Å; I1164-L1217 HydrophobicContact CG1-CB 4.09Å; I1164-L1217 HydrophobicContact CG1-CD2 4.37Å; E1167-L1217 HydrophobicContact CB-CD1 4.17Å; E1167-L1217 HydrophobicContact CG-CD1 4.2Å; F1213-L1217 HydrophobicContact CD1-CD1 4.11Å; F1213-L1217 HydrophobicContact CD2-CD1 3.76Å; F1213-L1217 HydrophobicContact CD2-CD2 4.45Å; F1213-L1217 HydrophobicContact CD2-CG 3.73Å; F1213-L1217 HydrophobicContact CE1-CD1 3.89Å; F1213-L1217 HydrophobicContact CE2-CD1 3.56Å; F1213-L1217 HydrophobicContact CE2-CD2 3.86Å; F1213-L1217 HydrophobicContact CE2-CG 3.59Å; F1213-L1217 HydrophobicContact CG-CD1 4.05Å; F1213-L1217 HydrophobicContact CG-CG 4.43Å; F1213-L1217 HydrophobicContact CZ-CD1 3.64Å; F1213-L1217 HydrophobicContact CZ-CD2 4.36Å; F1213-L1217 HydrophobicContact CZ-CG 4.17Å; F1213-L1217 WeakPolarHBondContact O-CB 3.24Å; F1213-L1217 VanDerWaalsContact O-CG 3.23Å; F1213-L1217 WeakPolarHBondContact O-CG 3.29Å; F1213-L1217 PolarHBondContact O-N 2.98Å; R1215-L1217 VanDerWaalsContact C-N 3.28Å; R1215-L1217 PolarHBondContact O-N 2.69Å; L1217-I1230 HydrophobicContact CD2-CD1 3.7Å; L1217-I1233 HydrophobicContact CD2-CG2 4.18Å; L1217-I1233 HydrophobicContact CG-CG2 4.42Å
1218N86.9Confident78.8Confident48 Ų4864 Ų6426%0.25734%0.342SS..Hα-helixtrans-76.4-35.4174.7-79.9-53.8000111.8C1214 R1215 Y1220 V1221 K1222C1214-N1218 WeakPolarHBondContact O-CB 3.38Å; C1214-N1218 VanDerWaalsContact O-CG 3.31Å; C1214-N1218 PolarHBondContact O-N 2.87Å; C1214-N1218 PolarHBondContact O-ND2 3.42Å; R1215-N1218 PolarHBondContact O-N 3.29Å; R1215-N1218 VanDerWaalsContact O-N 3.08Å; N1218-Y1220 VanDerWaalsContact C-N 3.32Å; N1218-V1221 PolarHBondContact O-N 3.18Å; N1218-V1221 VanDerWaalsContact O-N 3.13Å; N1218-K1222 PolarHBondContact O-N 3.02Å
1219D85.2Confident77.9Confident64 Ų6462.2 Ų62.234%0.34233%0.332SS..Hα-helixtrans-69.7-32.4179.3-65.7-22.8000111.1R1215 D1216 V1221 K1222 D1223R1215-D1219 PolarHBondContact O-N 2.96Å; D1216-D1219 PolarHBondContact O-N 3.45Å; D1219-V1221 PolarHBondContact O-N 2.81Å; D1219-K1222 PolarHBondContact O-N 3.19Å; D1219-K1222 IonicContact OD1-NZ 2.75Å; D1219-K1222 PolarHBondContact OD1-NZ 3.3Å; D1219-D1223 PolarHBondContact O-N 2.9Å; D1219-D1223 VanDerWaalsContact O-N 3.16Å
1220Y81.6Confident77.7Confident51 Ų5161.5 Ų61.520%0.233%0.327CS..Hα-helixtrans-54.5-34.4166.4178.2-84.3000113.9I1160 D1216 N1218 Q1228 I1230 I1233I1160-Y1220 HydrophobicContact CG2-CD1 4.44Å; I1160-Y1220 HydrophobicContact CG2-CE1 3.95Å; D1216-Y1220 PolarHBondContact O-N 3.03Å; N1218-Y1220 VanDerWaalsContact C-N 3.32Å; Y1220-Q1228 HydrophobicContact CD2-CB 4.11Å; Y1220-Q1228 HydrophobicContact CE2-CB 4.43Å; Y1220-Q1228 VanDerWaalsContact CE2-O 3.25Å; Y1220-Q1228 WeakPolarHBondContact CE2-O 3.28Å; Y1220-I1230 HydrophobicContact CD2-CD1 4.38Å; Y1220-I1230 HydrophobicContact CE2-CB 3.92Å; Y1220-I1230 HydrophobicContact CE2-CD1 4.35Å; Y1220-I1233 HydrophobicContact CD2-CD1 3.68Å; Y1220-I1233 HydrophobicContact CG-CD1 4.04Å
1221V76Confident77.3Confident87 Ų8761.5 Ų61.553%0.52733%0.327SS..Hα-helixtrans-82.2-27.1-179.8-1790000112.2I1164 N1218 D1219I1164-V1221 HydrophobicContact CD1-CG2 3.39Å; I1164-V1221 HydrophobicContact CG1-CG2 4.45Å; N1218-V1221 PolarHBondContact O-N 3.18Å; N1218-V1221 VanDerWaalsContact O-N 3.13Å; D1219-V1221 PolarHBondContact O-N 2.81Å
1222K71.1Confident76.8Confident155 Ų15568 Ų6867%0.67435%0.348SS*.Hα-helixtrans-79.3-31.3-179.9-66.6172.1-166.6156.20112.4N1218 D1219 D1224N1218-K1222 PolarHBondContact O-N 3.02Å; D1219-K1222 PolarHBondContact O-N 3.19Å; D1219-K1222 IonicContact OD1-NZ 2.75Å; D1219-K1222 PolarHBondContact OD1-NZ 3.3Å; K1222-D1224 PolarHBondContact O-N 3.18Å
1223D64.5Low76.7Confident60 Ų6066.4 Ų66.432%0.32134%0.34SS..  trans-90.173.4-174.7-167.216.1000111.9D1219 S1225 S1226 Q1228D1219-D1223 PolarHBondContact O-N 2.9Å; D1219-D1223 VanDerWaalsContact O-N 3.16Å; D1223-S1225 PolarHBondContact O-N 3.29Å; D1223-S1225 WeakPolarHBondContact OD1-CB 3.21Å; D1223-S1225 PolarHBondContact OD1-N 3.39Å; D1223-S1226 WeakPolarHBondContact OD2-CB 3.28Å; D1223-S1226 PolarHBondContact OD2-OG 3.41Å; D1223-Q1228 PolarHBondContact OD2-NE2 3.05Å
1224D55.7Low76.5Confident167 Ų16766.5 Ų66.589%0.89334%0.341SS*.THydrogen-bonded Turntrans-57.5-8170-116.2-3.2000112.9K1222K1222-D1224 PolarHBondContact O-N 3.18Å
1225S47.3Very low76.1Confident113 Ų11368.2 Ų68.279%0.7935%0.349SS*.THydrogen-bonded Turntrans-108.52.9-167.6-60.40000115D1223D1223-S1225 PolarHBondContact O-N 3.29Å; D1223-S1225 WeakPolarHBondContact OD1-CB 3.21Å; D1223-S1225 PolarHBondContact OD1-N 3.39Å
1226S46.2Very low75.8Confident44 Ų4466 Ų6631%0.30834%0.343SS..SBendtrans-135.3143.4174.572.40000113.6D1223 Q1228D1223-S1226 WeakPolarHBondContact OD2-CB 3.28Å; D1223-S1226 PolarHBondContact OD2-OG 3.41Å; S1226-Q1228 PolarHBondContact O-N 2.83Å; S1226-Q1228 WeakPolarHBondContact OG-CG 3.39Å; S1226-Q1228 PolarHBondContact OG-NE2 3Å; S1226-Q1228 VanDerWaalsContact OG-NE2 3.07Å
1227P53.4Low75.8Confident124 Ų12464.5 Ų64.581%0.80534%0.335SS*.  trans-77.654.6173.935.1-36.5000110.1L1229P1227-L1229 PolarHBondContact O-N 3.48Å
1228Q57.4Low75.6Confident84 Ų8465 Ų6539%0.39334%0.338SS..  trans-60.3126.1168.8-82.3179.36200108.1Y1220 D1223 S1226Y1220-Q1228 HydrophobicContact CD2-CB 4.11Å; Y1220-Q1228 HydrophobicContact CE2-CB 4.43Å; Y1220-Q1228 VanDerWaalsContact CE2-O 3.25Å; Y1220-Q1228 WeakPolarHBondContact CE2-O 3.28Å; D1223-Q1228 PolarHBondContact OD2-NE2 3.05Å; S1226-Q1228 PolarHBondContact O-N 2.83Å; S1226-Q1228 WeakPolarHBondContact OG-CG 3.39Å; S1226-Q1228 PolarHBondContact OG-NE2 3Å; S1226-Q1228 VanDerWaalsContact OG-NE2 3.07Å
1229L76.2Confident75.1Confident35 Ų3566.3 Ų66.318%0.18334%0.344CS..  trans-89.3122.5-178.2-65.5175.8000107.5P1227 S1231 R1232 P1316 D1317P1227-L1229 PolarHBondContact O-N 3.48Å; L1229-S1231 PolarHBondContact O-N 3.5Å; L1229-S1231 VanDerWaalsContact O-N 3.12Å; L1229-R1232 HydrophobicContact CB-CG 4.33Å; L1229-R1232 WeakPolarHBondContact O-CB 3.32Å; L1229-R1232 PolarHBondContact O-N 3.3Å; L1229-P1316 HydrophobicContact CD2-CB 4.47Å; L1229-D1317 WeakPolarHBondContact CB-OD1 3.39Å; L1229-D1317 HydrophobicContact CD2-CB 3.81Å
1230I87.1Confident75Confident0 Ų066.7 Ų66.70%034%0.343CS..Hα-helixtrans-59.1-28.9-178.4-174.863.4000111.1I1160 L1217 Y1220 R1232 I1233 L1234 I1307 D1317 V1321I1160-I1230 HydrophobicContact CD1-CB 4.28Å; I1160-I1230 HydrophobicContact CD1-CG1 4.42Å; I1160-I1230 HydrophobicContact CD1-CG2 3.93Å; I1160-I1230 HydrophobicContact CG1-CG1 4.25Å; I1160-I1230 HydrophobicContact CG1-CG2 4.42Å; I1160-I1230 HydrophobicContact CG2-CD1 4.47Å; L1217-I1230 HydrophobicContact CD2-CD1 3.7Å; Y1220-I1230 HydrophobicContact CD2-CD1 4.38Å; Y1220-I1230 HydrophobicContact CE2-CB 3.92Å; Y1220-I1230 HydrophobicContact CE2-CD1 4.35Å; I1230-R1232 VanDerWaalsContact C-N 3.3Å; I1230-R1232 PolarHBondContact O-N 3.03Å; I1230-I1233 HydrophobicContact CD1-CD1 4.44Å; I1230-I1233 PolarHBondContact O-N 2.77Å; I1230-L1234 HydrophobicContact CG1-CD1 3.92Å; I1230-L1234 HydrophobicContact CG1-CG 4.31Å; I1230-L1234 WeakPolarHBondContact O-CG 3.31Å; I1230-L1234 PolarHBondContact O-N 2.67Å; I1230-I1307 HydrophobicContact CG2-CG2 4.22Å; I1230-D1317 VanDerWaalsContact CG2-OD2 3.25Å; I1230-D1317 WeakPolarHBondContact CG2-OD2 3.37Å; I1230-V1321 HydrophobicContact CG2-CG2 4.49Å
1231S85.7Confident75.4Confident0 Ų064.3 Ų64.30%033%0.334CS..Hα-helixtrans-55.8-37.7170.462.60000114L1229 I1233 L1234 L1235 D1317 E1320L1229-S1231 PolarHBondContact O-N 3.5Å; L1229-S1231 VanDerWaalsContact O-N 3.12Å; S1231-I1233 VanDerWaalsContact C-N 3.35Å; S1231-I1233 PolarHBondContact O-N 2.84Å; S1231-L1234 PolarHBondContact O-N 3.37Å; S1231-L1235 WeakPolarHBondContact O-CB 3.14Å; S1231-L1235 VanDerWaalsContact O-CG 3.25Å; S1231-L1235 WeakPolarHBondContact O-CG 3.4Å; S1231-L1235 PolarHBondContact O-N 3.19Å; S1231-D1317 WeakPolarHBondContact CB-OD1 3.49Å; S1231-D1317 PolarHBondContact N-OD1 2.9Å; S1231-D1317 PolarHBondContact OG-OD1 3.33Å; S1231-E1320 VanDerWaalsContact CB-CB 3.45Å; S1231-E1320 WeakPolarHBondContact OG-CB 3.39Å
1232R85.9Confident75.5Confident180 Ų18063.9 Ų63.968%0.67933%0.325SS*.Hα-helixtrans-63.8-41.6-179.9-80.2-179.2135.9128.5-3.7111.6L1229 I1230 K1236L1229-R1232 HydrophobicContact CB-CG 4.33Å; L1229-R1232 WeakPolarHBondContact O-CB 3.32Å; L1229-R1232 PolarHBondContact O-N 3.3Å; I1230-R1232 VanDerWaalsContact C-N 3.3Å; I1230-R1232 PolarHBondContact O-N 3.03Å; R1232-K1236 WeakPolarHBondContact O-CB 3.18Å; R1232-K1236 PolarHBondContact O-N 2.96Å
1233I88.8Confident76.2Confident12 Ų1256.7 Ų56.76%0.06229%0.294CS..Hα-helixtrans-67.1-46176.5-58.8173.8000109.2F1213 D1216 L1217 Y1220 I1230 S1231 L1235 K1236 H1237F1213-I1233 HydrophobicContact CD2-CG2 4.19Å; F1213-I1233 HydrophobicContact CE2-CG2 4.07Å; D1216-I1233 HydrophobicContact CB-CG2 3.79Å; L1217-I1233 HydrophobicContact CD2-CG2 4.18Å; L1217-I1233 HydrophobicContact CG-CG2 4.42Å; Y1220-I1233 HydrophobicContact CD2-CD1 3.68Å; Y1220-I1233 HydrophobicContact CG-CD1 4.04Å; I1230-I1233 HydrophobicContact CD1-CD1 4.44Å; I1230-I1233 PolarHBondContact O-N 2.77Å; S1231-I1233 VanDerWaalsContact C-N 3.35Å; S1231-I1233 PolarHBondContact O-N 2.84Å; I1233-L1235 PolarHBondContact O-N 3.49Å; I1233-K1236 WeakPolarHBondContact O-CB 3.16Å; I1233-K1236 PolarHBondContact O-N 3.12Å; I1233-H1237 PolarHBondContact O-CD2 3.2Å; I1233-H1237 VanDerWaalsContact O-CD2 3.25Å; I1233-H1237 PolarHBondContact O-N 3.27Å; I1233-H1237 VanDerWaalsContact O-N 3.07Å
1234L91Very high77.5Confident2 Ų253.9 Ų53.91%0.0128%0.279CS..Hα-helixtrans-61.8-43.2177.4-68.6166.6000112.6L1163 F1213 I1230 S1231 H1237 I1238 V1304 V1324L1163-L1234 HydrophobicContact CD2-CD2 3.93Å; F1213-L1234 HydrophobicContact CE2-CD2 4.21Å; F1213-L1234 HydrophobicContact CZ-CD2 3.85Å; I1230-L1234 HydrophobicContact CG1-CD1 3.92Å; I1230-L1234 HydrophobicContact CG1-CG 4.31Å; I1230-L1234 WeakPolarHBondContact O-CG 3.31Å; I1230-L1234 PolarHBondContact O-N 2.67Å; S1231-L1234 PolarHBondContact O-N 3.37Å; L1234-H1237 PolarHBondContact O-N 3.35Å; L1234-I1238 WeakPolarHBondContact O-CB 3.16Å; L1234-I1238 WeakPolarHBondContact O-CG1 3.3Å; L1234-I1238 PolarHBondContact O-N 3.37Å; L1234-V1304 HydrophobicContact CD1-CG2 4.32Å; L1234-V1304 HydrophobicContact CD2-CG2 4.19Å; L1234-V1324 HydrophobicContact CB-CB 4.48Å; L1234-V1324 HydrophobicContact CB-CG1 3.57Å; L1234-V1324 HydrophobicContact CB-CG2 3.96Å; L1234-V1324 HydrophobicContact CD1-CG1 3.93Å; L1234-V1324 HydrophobicContact CG-CG1 4.28Å
1235L84.8Confident78.9Confident42 Ų4247.3 Ų47.322%0.2224%0.241CC..Hα-helixtrans-61.8-43.8174.4-73.8173.5000111.8S1231 I1233 H1237 L1239 V1324 L1327S1231-L1235 WeakPolarHBondContact O-CB 3.14Å; S1231-L1235 VanDerWaalsContact O-CG 3.25Å; S1231-L1235 WeakPolarHBondContact O-CG 3.4Å; S1231-L1235 PolarHBondContact O-N 3.19Å; I1233-L1235 PolarHBondContact O-N 3.49Å; L1235-H1237 VanDerWaalsContact C-N 3.29Å; L1235-H1237 PolarHBondContact O-N 3.04Å; L1235-L1239 WeakPolarHBondContact O-CG 3.41Å; L1235-V1324 HydrophobicContact CB-CG2 4.49Å; L1235-V1324 HydrophobicContact CD1-CG2 4.42Å; L1235-V1324 HydrophobicContact CD2-CG2 3.53Å; L1235-V1324 HydrophobicContact CG-CG2 3.47Å; L1235-V1324 VanDerWaalsContact CG-CG2 3.47Å; L1235-L1327 HydrophobicContact CD2-CD1 3.46Å; L1235-L1327 VanDerWaalsContact CD2-CD1 3.46Å
1236K85.7Confident80.5Confident87 Ų8743.8 Ų43.838%0.37821%0.214SC..Hα-helixtrans-57.3-42.6176.7-178.1-170.6169.4-161.50111.3E1212 D1216 R1232 I1233E1212-K1236 WeakPolarHBondContact OE1-CE 3.43Å; E1212-K1236 IonicContact OE1-NZ 3.12Å; E1212-K1236 PolarHBondContact OE1-NZ 3Å; D1216-K1236 IonicContact OD1-NZ 3.53Å; D1216-K1236 PolarHBondContact OD1-NZ 2.95Å; D1216-K1236 WeakPolarHBondContact OD2-CD 3.4Å; D1216-K1236 WeakPolarHBondContact OD2-CE 3.46Å; D1216-K1236 IonicContact OD2-NZ 2.67Å; D1216-K1236 PolarHBondContact OD2-NZ 3.29Å; R1232-K1236 WeakPolarHBondContact O-CB 3.18Å; R1232-K1236 PolarHBondContact O-N 2.96Å; I1233-K1236 WeakPolarHBondContact O-CB 3.16Å; I1233-K1236 PolarHBondContact O-N 3.12Å
1237H90.2Very high82.7Confident0 Ų041.7 Ų41.70%020%0.199CC..Hα-helixtrans-89.2-30.8-174.3-75.1-67.9000115.1E1212 F1213 D1216 I1233 L1234 L1235 L1239 K1240 F1241E1212-H1237 IonicContact OE1-CE1 3.2Å; F1213-H1237 HydrophobicContact CD2-CB 3.83Å; F1213-H1237 AromaticContact CD2-CD2 3.34Å; F1213-H1237 WeakPolarHBondContact CD2-CD2 3.33Å; F1213-H1237 AromaticContact CD2-CG 3.51Å; F1213-H1237 AromaticContact CD2-NE2 4Å; F1213-H1237 HydrophobicContact CE2-CB 4.17Å; F1213-H1237 HydrophobicContact CG-CB 4.18Å; F1213-H1237 AromaticContact CG-CG 3.89Å; F1213-H1237 PolarHBondContact N-CE1 2.72Å; D1216-H1237 IonicContact OD2-CD2 2.69Å; D1216-H1237 IonicContact OD2-CE1 2.71Å; D1216-H1237 IonicContact OD2-NE2 2.78Å; D1216-H1237 PolarHBondContact OD2-NE2 3.31Å; I1233-H1237 PolarHBondContact O-CD2 3.2Å; I1233-H1237 VanDerWaalsContact O-CD2 3.25Å; I1233-H1237 PolarHBondContact O-N 3.27Å; I1233-H1237 VanDerWaalsContact O-N 3.07Å; L1234-H1237 PolarHBondContact O-N 3.35Å; L1235-H1237 VanDerWaalsContact C-N 3.29Å; L1235-H1237 PolarHBondContact O-N 3.04Å; H1237-L1239 PolarHBondContact O-N 2.79Å; H1237-K1240 CarbonylContact O-C 3.57Å; H1237-K1240 WeakPolarHBondContact O-CA 3.45Å; H1237-K1240 WeakPolarHBondContact O-CB 3.42Å; H1237-K1240 PolarHBondContact O-N 2.99Å; H1237-F1241 HydrophobicContact CB-CE1 3.93Å; H1237-F1241 HydrophobicContact CB-CZ 4.02Å; H1237-F1241 WeakPolarHBondContact O-CD1 3.14Å; H1237-F1241 WeakPolarHBondContact O-CG 2.92Å; H1237-F1241 PolarHBondContact O-N 3.42Å
1238I86.8Confident84.4Confident9 Ų936 Ų365%0.04616%0.162CC..Hα-helixtrans-57-37.1173.6-78.2172.5000111.7L1234 K1240 F1241 V1324 L1327 M1328 L1331L1234-I1238 WeakPolarHBondContact O-CB 3.16Å; L1234-I1238 WeakPolarHBondContact O-CG1 3.3Å; L1234-I1238 PolarHBondContact O-N 3.37Å; I1238-K1240 PolarHBondContact O-N 3.27Å; I1238-F1241 HydrophobicContact CG1-CD2 4.1Å; I1238-F1241 HydrophobicContact CG1-CE2 4.19Å; I1238-F1241 PolarHBondContact O-N 2.73Å; I1238-V1324 HydrophobicContact CD1-CB 4.38Å; I1238-V1324 HydrophobicContact CD1-CG1 3.62Å; I1238-L1327 HydrophobicContact CG2-CB 4.08Å; I1238-M1328 HydrophobicContact CD1-CB 4.48Å; I1238-M1328 HydrophobicContact CD1-CE 3.7Å; I1238-M1328 HydrophobicContact CG1-CE 3.62Å; I1238-L1331 HydrophobicContact CG2-CD2 4.48Å
1239L75.8Confident85.7Confident76 Ų7635.1 Ų35.140%0.39816%0.159SC..THydrogen-bonded Turntrans-65.7-25.5174.5-62.1173.5000112.6L1235 H1237 L1546L1235-L1239 WeakPolarHBondContact O-CG 3.41Å; H1237-L1239 PolarHBondContact O-N 2.79Å; L1239-L1546 HydrophobicContact CB-CD1 3.9Å; L1239-L1546 HydrophobicContact CD2-CD1 3.77Å; L1239-L1546 HydrophobicContact CG-CD1 4.42Å; L1239-L1546 WeakPolarHBondContact O-CD1 3.49Å
1240K83.6Confident86.1Confident72 Ų7236.5 Ų36.531%0.31317%0.165SC..THydrogen-bonded Turntrans-85.7-25.3175.3-61.7-174.6172.7-170.90112.7T1209 E1212 H1237 I1238 K1242 V1243T1209-K1240 HydrophobicContact CG2-CB 3.88Å; E1212-K1240 IonicContact OE1-NZ 2.7Å; E1212-K1240 PolarHBondContact OE1-NZ 2.9Å; E1212-K1240 IonicContact OE2-NZ 2.65Å; E1212-K1240 PolarHBondContact OE2-NZ 3.3Å; H1237-K1240 CarbonylContact O-C 3.57Å; H1237-K1240 WeakPolarHBondContact O-CA 3.45Å; H1237-K1240 WeakPolarHBondContact O-CB 3.42Å; H1237-K1240 PolarHBondContact O-N 2.99Å; I1238-K1240 PolarHBondContact O-N 3.27Å; K1240-K1242 WeakPolarHBondContact O-CG 3.29Å; K1240-K1242 PolarHBondContact O-N 2.76Å; K1240-V1243 PolarHBondContact O-N 3.36Å
1241F89.6Confident86.2Confident1 Ų137.5 Ų37.50%0.00417%0.169CC..THydrogen-bonded Turntrans-62.9-1.1179-64.7-10.9000115.1T1209 F1213 H1237 I1238 V1243 Y1244 I1297 Y1300 M1328 L1331T1209-F1241 HydrophobicContact CG2-CD1 3.91Å; T1209-F1241 HydrophobicContact CG2-CE1 4.18Å; F1213-F1241 HydrophobicContact CD1-CE1 4.13Å; F1213-F1241 AromaticContact CD1-CZ 3.8Å; F1213-F1241 HydrophobicContact CD1-CZ 3.8Å; F1213-F1241 HydrophobicContact CE1-CE1 4.46Å; F1213-F1241 AromaticContact CE1-CZ 3.68Å; F1213-F1241 HydrophobicContact CE1-CZ 3.68Å; F1213-F1241 HydrophobicContact CG-CZ 4.45Å; F1213-F1241 HydrophobicContact CZ-CZ 4.2Å; H1237-F1241 HydrophobicContact CB-CE1 3.93Å; H1237-F1241 HydrophobicContact CB-CZ 4.02Å; H1237-F1241 WeakPolarHBondContact O-CD1 3.14Å; H1237-F1241 WeakPolarHBondContact O-CG 2.92Å; H1237-F1241 PolarHBondContact O-N 3.42Å; I1238-F1241 HydrophobicContact CG1-CD2 4.1Å; I1238-F1241 HydrophobicContact CG1-CE2 4.19Å; I1238-F1241 PolarHBondContact O-N 2.73Å; F1241-V1243 PolarHBondContact O-N 2.78Å; F1241-V1243 VanDerWaalsContact O-N 3.09Å; F1241-Y1244 HydrophobicContact CB-CD2 3.95Å; F1241-Y1244 HydrophobicContact CB-CE2 4.4Å; F1241-Y1244 HydrophobicContact CD1-CD2 4.19Å; F1241-Y1244 AromaticContact CD1-CE2 3.76Å; F1241-Y1244 HydrophobicContact CD1-CE2 3.76Å; F1241-Y1244 HydrophobicContact CE1-CE2 4.31Å; F1241-Y1244 HydrophobicContact CG-CD2 4.22Å; F1241-Y1244 HydrophobicContact CG-CE2 4.18Å; F1241-Y1244 WeakPolarHBondContact O-CB 3.3Å; F1241-Y1244 PolarHBondContact O-N 3.04Å; F1241-I1297 HydrophobicContact CB-CD1 4.12Å; F1241-I1297 HydrophobicContact CD2-CD1 4.05Å; F1241-I1297 HydrophobicContact CG-CD1 4.33Å; F1241-Y1300 AromaticContact CD2-CD2 3.93Å; F1241-Y1300 HydrophobicContact CD2-CD2 3.93Å; F1241-Y1300 HydrophobicContact CD2-CE2 4.03Å; F1241-Y1300 HydrophobicContact CE1-CE2 4.06Å; F1241-Y1300 AromaticContact CE2-CD2 3.48Å; F1241-Y1300 HydrophobicContact CE2-CD2 3.48Å; F1241-Y1300 VanDerWaalsContact CE2-CD2 3.48Å; F1241-Y1300 AromaticContact CE2-CE2 3.51Å; F1241-Y1300 HydrophobicContact CE2-CE2 3.51Å; F1241-Y1300 HydrophobicContact CE2-CG 4.1Å; F1241-Y1300 AromaticContact CZ-CD2 3.98Å; F1241-Y1300 HydrophobicContact CZ-CD2 3.98Å; F1241-Y1300 HydrophobicContact CZ-CE1 4.36Å; F1241-Y1300 AromaticContact CZ-CE2 3.53Å; F1241-Y1300 HydrophobicContact CZ-CE2 3.53Å; F1241-Y1300 AromaticContact CZ-CZ 3.75Å; F1241-M1328 HydrophobicContact CD2-CE 4.13Å; F1241-M1328 HydrophobicContact CE2-CE 4.01Å; F1241-L1331 HydrophobicContact CB-CD2 3.6Å; F1241-L1331 HydrophobicContact CD2-CD2 4.33Å
1242K77.9Confident86.1Confident79 Ų7944 Ų4434%0.34319%0.194SC..Hα-helixtrans-49.9-27.916465.6163.5-161.91620113.7K1240 Y1244 R1245 L1246 L1546 D1550K1240-K1242 WeakPolarHBondContact O-CG 3.29Å; K1240-K1242 PolarHBondContact O-N 2.76Å; K1242-Y1244 VanDerWaalsContact C-N 3.28Å; K1242-Y1244 PolarHBondContact O-N 3.35Å; K1242-R1245 VanDerWaalsContact O-CB 3.3Å; K1242-R1245 WeakPolarHBondContact O-CB 3.17Å; K1242-R1245 PolarHBondContact O-N 2.74Å; K1242-L1246 PolarHBondContact O-N 2.78Å; K1242-L1546 HydrophobicContact CB-CD2 4.29Å; K1242-L1546 HydrophobicContact CD-CD2 4.23Å; K1242-D1550 IonicContact NZ-OD1 3.38Å; K1242-D1550 PolarHBondContact NZ-OD1 2.86Å
1243V86.7Confident86Confident4 Ų438.9 Ų38.92%0.02418%0.182CC..Hα-helixtrans-61.9-35.4176.2640000112H1202 E1205 L1206 T1209 K1240 F1241 R1245 L1246 Y1247H1202-V1243 HydrophobicContact CB-CG2 3.98Å; E1205-V1243 HydrophobicContact CB-CG2 3.57Å; L1206-V1243 HydrophobicContact CD2-CG1 3.85Å; L1206-V1243 HydrophobicContact CD2-CG2 4.2Å; L1206-V1243 HydrophobicContact CG-CG1 4.46Å; L1206-V1243 HydrophobicContact CG-CG2 4Å; T1209-V1243 HydrophobicContact CG2-CG1 4.28Å; K1240-V1243 PolarHBondContact O-N 3.36Å; F1241-V1243 PolarHBondContact O-N 2.78Å; F1241-V1243 VanDerWaalsContact O-N 3.09Å; V1243-R1245 VanDerWaalsContact C-N 3.27Å; V1243-R1245 PolarHBondContact O-N 3.25Å; V1243-L1246 PolarHBondContact O-N 3.28Å; V1243-Y1247 PolarHBondContact O-N 2.82Å
1244Y91.3Very high86.1Confident0 Ų038.3 Ų38.30%018%0.179CC..Hα-helixtrans-63.9-33.7174.1-68.3-98.7000111.3Y1170 L1206 F1241 K1242 Y1247 C1248 P1293 R1296 I1297 Y1300Y1170-Y1244 HydrophobicContact CE1-CE1 4.41Å; Y1170-Y1244 WeakPolarHBondContact CE1-OH 3.23Å; Y1170-Y1244 VanDerWaalsContact OH-CE1 3.29Å; Y1170-Y1244 WeakPolarHBondContact OH-CE1 3.43Å; Y1170-Y1244 PolarHBondContact OH-OH 3.41Å; L1206-Y1244 HydrophobicContact CD2-CD1 3.77Å; L1206-Y1244 HydrophobicContact CD2-CD2 3.92Å; L1206-Y1244 HydrophobicContact CD2-CE1 3.79Å; L1206-Y1244 HydrophobicContact CD2-CE2 3.9Å; L1206-Y1244 HydrophobicContact CD2-CG 3.86Å; F1241-Y1244 HydrophobicContact CB-CD2 3.95Å; F1241-Y1244 HydrophobicContact CB-CE2 4.4Å; F1241-Y1244 HydrophobicContact CD1-CD2 4.19Å; F1241-Y1244 AromaticContact CD1-CE2 3.76Å; F1241-Y1244 HydrophobicContact CD1-CE2 3.76Å; F1241-Y1244 HydrophobicContact CE1-CE2 4.31Å; F1241-Y1244 HydrophobicContact CG-CD2 4.22Å; F1241-Y1244 HydrophobicContact CG-CE2 4.18Å; F1241-Y1244 WeakPolarHBondContact O-CB 3.3Å; F1241-Y1244 PolarHBondContact O-N 3.04Å; K1242-Y1244 VanDerWaalsContact C-N 3.28Å; K1242-Y1244 PolarHBondContact O-N 3.35Å; Y1244-Y1247 PolarHBondContact O-N 3.28Å; Y1244-C1248 WeakPolarHBondContact O-CB 3.45Å; Y1244-C1248 PolarHBondContact O-N 2.76Å; Y1244-C1248 PolarHBondContact O-SG 3.44Å; Y1244-P1293 HydrophobicContact CD1-CB 4.04Å; Y1244-P1293 WeakPolarHBondContact CD1-O 3.19Å; Y1244-P1293 HydrophobicContact CE1-CB 4.14Å; Y1244-R1296 HydrophobicContact CE1-CB 4.36Å; Y1244-I1297 HydrophobicContact CD1-CB 3.72Å; Y1244-I1297 HydrophobicContact CD1-CG1 4.35Å; Y1244-I1297 HydrophobicContact CD1-CG2 4.36Å; Y1244-I1297 HydrophobicContact CD2-CD1 4.26Å; Y1244-I1297 HydrophobicContact CE1-CB 4.33Å; Y1244-I1297 HydrophobicContact CG-CB 4.03Å; Y1244-I1297 HydrophobicContact CG-CD1 4.09Å; Y1244-I1297 HydrophobicContact CG-CG1 4.13Å; Y1244-Y1300 HydrophobicContact CE2-CE2 4.31Å; Y1244-Y1300 AromaticContact CZ-CE2 3.99Å; Y1244-Y1300 PolarHBondContact OH-OH 2.92Å; Y1244-Y1300 VanDerWaalsContact OH-OH 3.06Å
1245R84.4Confident86.1Confident29 Ų2940.4 Ų40.411%0.10919%0.194CC..Hα-helixtrans-62.5-44.6173.9-173.3179.3171-76.2-0.1111.5K1242 V1243 I1249 S1334 I1335 A1338 V1381K1242-R1245 VanDerWaalsContact O-CB 3.3Å; K1242-R1245 WeakPolarHBondContact O-CB 3.17Å; K1242-R1245 PolarHBondContact O-N 2.74Å; V1243-R1245 VanDerWaalsContact C-N 3.27Å; V1243-R1245 PolarHBondContact O-N 3.25Å; R1245-I1249 HydrophobicContact CG-CD1 4.07Å; R1245-I1249 VanDerWaalsContact O-CD1 3.24Å; R1245-I1249 WeakPolarHBondContact O-CD1 3.26Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.3Å; R1245-I1249 PolarHBondContact O-N 2.95Å; R1245-S1334 PolarHBondContact NE-O 3.37Å; R1245-I1335 HydrophobicContact CB-CD1 4.32Å; R1245-I1335 HydrophobicContact CB-CG1 3.71Å; R1245-I1335 HydrophobicContact CG-CG1 3.95Å; R1245-A1338 HydrophobicContact CG-CB 4.43Å; R1245-V1381 PolarHBondContact NH2-O 2.7Å
1246L82.4Confident86.3Confident40 Ų4042.3 Ų42.321%0.20920%0.202CC..Hα-helixtrans-63.7-45.7177.4-59177.2000111.2K1242 V1243 Q1250K1242-L1246 PolarHBondContact O-N 2.78Å; V1243-L1246 PolarHBondContact O-N 3.28Å; L1246-Q1250 PolarHBondContact O-N 3.2Å
1247Y91.1Very high86.5Confident0 Ų039.5 Ų39.50%019%0.192CC..Hα-helixtrans-57.2-54.1175.2-174.8-92.7000112.5P1201 W1203 L1206 V1243 Y1244 I1249 Q1250 Q1251 L1290 P1293P1201-Y1247 HydrophobicContact CG-CD2 3.95Å; P1201-Y1247 HydrophobicContact CG-CE2 3.87Å; P1201-Y1247 WeakPolarHBondContact O-CD2 3.34Å; W1203-Y1247 AromaticContact CE3-CE2 3.73Å; W1203-Y1247 HydrophobicContact CE3-CE2 3.73Å; W1203-Y1247 AromaticContact CZ3-CE2 3.83Å; W1203-Y1247 HydrophobicContact CZ3-CE2 3.83Å; W1203-Y1247 AromaticContact CZ3-CZ 3.9Å; L1206-Y1247 HydrophobicContact CD1-CD2 3.46Å; L1206-Y1247 VanDerWaalsContact CD1-CD2 3.46Å; L1206-Y1247 HydrophobicContact CD1-CE2 4.15Å; L1206-Y1247 HydrophobicContact CD1-CG 3.71Å; V1243-Y1247 PolarHBondContact O-N 2.82Å; Y1244-Y1247 PolarHBondContact O-N 3.28Å; Y1247-I1249 VanDerWaalsContact C-N 3.29Å; Y1247-I1249 PolarHBondContact O-N 2.7Å; Y1247-Q1250 CarbonylContact O-C 3.55Å; Y1247-Q1250 PolarHBondContact O-N 2.84Å; Y1247-Q1251 HydrophobicContact CD1-CB 4.41Å; Y1247-Q1251 HydrophobicContact CE1-CB 4.03Å; Y1247-Q1251 HydrophobicContact CE1-CG 3.93Å; Y1247-Q1251 PolarHBondContact O-N 2.77Å; Y1247-L1290 WeakPolarHBondContact CE1-O 3.36Å; Y1247-L1290 WeakPolarHBondContact OH-CA 3.26Å; Y1247-L1290 PolarHBondContact OH-O 3.44Å; Y1247-P1293 HydrophobicContact CD1-CB 3.6Å; Y1247-P1293 HydrophobicContact CD1-CG 3.94Å; Y1247-P1293 HydrophobicContact CE1-CB 3.74Å; Y1247-P1293 HydrophobicContact CE1-CG 3.63Å; Y1247-P1293 HydrophobicContact CE2-CG 4.36Å; Y1247-P1293 HydrophobicContact CG-CB 4.18Å; Y1247-P1293 HydrophobicContact CG-CG 4.41Å
1248C90.4Very high86.6Confident4 Ų439.8 Ų39.83%0.02719%0.193CC..Hα-helixtrans-64.3-30.9-172.8-71.50000113.3Y1244 Q1250 M1294 I1335 I1339Y1244-C1248 WeakPolarHBondContact O-CB 3.45Å; Y1244-C1248 PolarHBondContact O-N 2.76Å; Y1244-C1248 PolarHBondContact O-SG 3.44Å; C1248-Q1250 VanDerWaalsContact C-N 3.34Å; C1248-M1294 HydrophobicContact CB-CE 3.49Å; C1248-M1294 VanDerWaalsContact CB-CE 3.49Å; C1248-M1294 HydrophobicContact CB-SD 4.03Å; C1248-M1294 VanDerWaalsContact SG-CE 3.53Å; C1248-M1294 PolarHBondContact SG-SD 3.3Å; C1248-I1335 HydrophobicContact CB-CG2 3.77Å; C1248-I1339 HydrophobicContact CB-CD1 4.08Å; C1248-I1339 HydrophobicContact CB-CG1 4.19Å
1249I83.8Confident86.8Confident66 Ų6646 Ų4634%0.33822%0.222SC..Hα-helixtrans-64.4-40172.7-67.5161.6000111R1245 Y1247 A1338R1245-I1249 HydrophobicContact CG-CD1 4.07Å; R1245-I1249 VanDerWaalsContact O-CD1 3.24Å; R1245-I1249 WeakPolarHBondContact O-CD1 3.26Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.3Å; R1245-I1249 PolarHBondContact O-N 2.95Å; Y1247-I1249 VanDerWaalsContact C-N 3.29Å; Y1247-I1249 PolarHBondContact O-N 2.7Å; I1249-A1338 HydrophobicContact CD1-CB 3.72Å; I1249-A1338 HydrophobicContact CG1-CB 3.74Å
1250Q84.9Confident87.4Confident64 Ų6448 Ų4830%0.29923%0.229SC..Hα-helixtrans-93.4-11.8-175-66.7179.5-4.400113.7P1201 L1246 Y1247 C1248 R1252 V1253 A1254P1201-Q1250 HydrophobicContact CB-CB 4Å; P1201-Q1250 HydrophobicContact CG-CB 4Å; L1246-Q1250 PolarHBondContact O-N 3.2Å; Y1247-Q1250 CarbonylContact O-C 3.55Å; Y1247-Q1250 PolarHBondContact O-N 2.84Å; C1248-Q1250 VanDerWaalsContact C-N 3.34Å; Q1250-R1252 PolarHBondContact O-N 2.83Å; Q1250-R1252 VanDerWaalsContact O-N 3.11Å; Q1250-V1253 CarbonylContact O-C 3.49Å; Q1250-V1253 WeakPolarHBondContact O-CA 3.25Å; Q1250-V1253 WeakPolarHBondContact O-CB 3.26Å; Q1250-V1253 PolarHBondContact O-N 2.74Å; Q1250-A1254 PolarHBondContact O-N 2.71Å
1251Q89.2Confident87.7Confident20 Ų2044.8 Ų44.89%0.09322%0.216CC..Hα-helixtrans-52.4-38.1-176.6-176.2-177.554.400113.7Y1247 A1254 C1255 L1290Y1247-Q1251 HydrophobicContact CD1-CB 4.41Å; Y1247-Q1251 HydrophobicContact CE1-CB 4.03Å; Y1247-Q1251 HydrophobicContact CE1-CG 3.93Å; Y1247-Q1251 PolarHBondContact O-N 2.77Å; Q1251-A1254 WeakPolarHBondContact O-CB 3.5Å; Q1251-A1254 PolarHBondContact O-N 3.3Å; Q1251-C1255 PolarHBondContact O-N 2.81Å; Q1251-C1255 VanDerWaalsContact O-N 3.07Å; Q1251-C1255 PolarHBondContact O-SG 3.15Å; Q1251-L1290 PolarHBondContact NE2-O 3.09Å
1252R83.4Confident87.8Confident137 Ų13746.3 Ų46.352%0.51722%0.224SC..Hα-helixtrans-65.6-44.3176-179.5171.5176.3-116.2-7.9111.7Q1250 A1254 C1255 E1256Q1250-R1252 PolarHBondContact O-N 2.83Å; Q1250-R1252 VanDerWaalsContact O-N 3.11Å; R1252-A1254 VanDerWaalsContact C-N 3.32Å; R1252-A1254 PolarHBondContact O-N 2.79Å; R1252-C1255 PolarHBondContact O-N 3.33Å; R1252-E1256 HydrophobicContact CG-CG 4.43Å; R1252-E1256 IonicContact CZ-OE1 3.45Å; R1252-E1256 IonicContact CZ-OE2 3.16Å; R1252-E1256 IonicContact NE-OE1 2.7Å; R1252-E1256 PolarHBondContact NE-OE1 3.23Å; R1252-E1256 IonicContact NE-OE2 2.71Å; R1252-E1256 IonicContact NH1-OE1 2.65Å; R1252-E1256 IonicContact NH2-OE1 3.72Å; R1252-E1256 PolarHBondContact NH2-OE1 2.91Å; R1252-E1256 IonicContact NH2-OE2 2.78Å; R1252-E1256 WeakPolarHBondContact O-CB 3.48Å; R1252-E1256 WeakPolarHBondContact O-CG 3.2Å; R1252-E1256 PolarHBondContact O-N 3.34Å
1253V85.2Confident88.2Confident72 Ų7246.8 Ų46.844%0.43624%0.237SC..Hα-helixtrans-62.5-41.8175.7-176.60000109.8Q1250 C1255 E1256 T1257Q1250-V1253 CarbonylContact O-C 3.49Å; Q1250-V1253 WeakPolarHBondContact O-CA 3.25Å; Q1250-V1253 WeakPolarHBondContact O-CB 3.26Å; Q1250-V1253 PolarHBondContact O-N 2.74Å; V1253-C1255 PolarHBondContact O-N 3.22Å; V1253-E1256 PolarHBondContact O-N 2.82Å; V1253-T1257 VanDerWaalsContact O-CB 3.32Å; V1253-T1257 WeakPolarHBondContact O-CB 3.45Å; V1253-T1257 PolarHBondContact O-N 2.87Å; V1253-T1257 PolarHBondContact O-OG1 2.66Å
1254A90.6Very high88.1Confident0 Ų050.3 Ų50.30%026%0.262CS..Hα-helixtrans-57.2-46.1175.700000113.3D1198 P1201 Q1250 Q1251 R1252 L1258D1198-A1254 WeakPolarHBondContact O-CA 3.36Å; D1198-A1254 WeakPolarHBondContact O-CB 3.42Å; P1201-A1254 HydrophobicContact CG-CB 4.25Å; Q1250-A1254 PolarHBondContact O-N 2.71Å; Q1251-A1254 WeakPolarHBondContact O-CB 3.5Å; Q1251-A1254 PolarHBondContact O-N 3.3Å; R1252-A1254 VanDerWaalsContact C-N 3.32Å; R1252-A1254 PolarHBondContact O-N 2.79Å; A1254-L1258 VanDerWaalsContact O-CB 3.26Å; A1254-L1258 WeakPolarHBondContact O-CB 3.34Å; A1254-L1258 PolarHBondContact O-N 2.79Å
1255C90.3Very high87.8Confident47 Ų4752.6 Ų52.632%0.31827%0.274SS..Hα-helixtrans-66.7-41.8175.8-68.70000112.5Q1251 R1252 V1253 L1258 Q1259Q1251-C1255 PolarHBondContact O-N 2.81Å; Q1251-C1255 VanDerWaalsContact O-N 3.07Å; Q1251-C1255 PolarHBondContact O-SG 3.15Å; R1252-C1255 PolarHBondContact O-N 3.33Å; V1253-C1255 PolarHBondContact O-N 3.22Å; C1255-L1258 PolarHBondContact O-N 2.84Å; C1255-Q1259 WeakPolarHBondContact O-CB 3.27Å; C1255-Q1259 PolarHBondContact O-N 3.47Å
1256E88.6Confident87.9Confident82 Ų8254.9 Ų54.938%0.38328%0.283SS..Hα-helixtrans-67.7-42.1179-7317217000111.7R1252 V1253 Q1259 H1260R1252-E1256 HydrophobicContact CG-CG 4.43Å; R1252-E1256 IonicContact CZ-OE1 3.45Å; R1252-E1256 IonicContact CZ-OE2 3.16Å; R1252-E1256 IonicContact NE-OE1 2.7Å; R1252-E1256 PolarHBondContact NE-OE1 3.23Å; R1252-E1256 IonicContact NE-OE2 2.71Å; R1252-E1256 IonicContact NH1-OE1 2.65Å; R1252-E1256 IonicContact NH2-OE1 3.72Å; R1252-E1256 PolarHBondContact NH2-OE1 2.91Å; R1252-E1256 IonicContact NH2-OE2 2.78Å; R1252-E1256 WeakPolarHBondContact O-CB 3.48Å; R1252-E1256 WeakPolarHBondContact O-CG 3.2Å; R1252-E1256 PolarHBondContact O-N 3.34Å; V1253-E1256 PolarHBondContact O-N 2.82Å; E1256-Q1259 PolarHBondContact O-N 2.72Å; E1256-H1260 VanDerWaalsContact O-CB 3.32Å; E1256-H1260 WeakPolarHBondContact O-CB 3.28Å; E1256-H1260 PolarHBondContact O-N 3.11Å
1257T89.7Confident88.1Confident27 Ų2758.3 Ų58.317%0.16629%0.293CS..Hα-helixtrans-65.6-41.7173.8-57.70000111.4D1198 I1199 V1253 H1260 C1261D1198-T1257 HydrophobicContact CB-CG2 4.07Å; I1199-T1257 HydrophobicContact CD1-CG2 4.25Å; I1199-T1257 HydrophobicContact CG1-CG2 3.86Å; V1253-T1257 VanDerWaalsContact O-CB 3.32Å; V1253-T1257 WeakPolarHBondContact O-CB 3.45Å; V1253-T1257 PolarHBondContact O-N 2.87Å; V1253-T1257 PolarHBondContact O-OG1 2.66Å; T1257-H1260 PolarHBondContact O-N 2.81Å; T1257-C1261 VanDerWaalsContact O-CB 3.29Å; T1257-C1261 WeakPolarHBondContact O-CB 3.19Å; T1257-C1261 PolarHBondContact O-N 3.07Å; T1257-C1261 PolarHBondContact O-SG 2.78Å
1258L92.7Very high88Confident7 Ų758.3 Ų58.34%0.03729%0.293CS..Hα-helixtrans-61.2-49.3174.4178.362.4000110.8I1199 A1254 C1255 H1260 C1261 L1262 L1286 L1290I1199-L1258 HydrophobicContact CD1-CB 4.37Å; I1199-L1258 HydrophobicContact CD1-CD1 4.25Å; I1199-L1258 HydrophobicContact CG1-CB 4.15Å; I1199-L1258 HydrophobicContact CG2-CB 4.26Å; I1199-L1258 HydrophobicContact CG2-CD1 4.26Å; A1254-L1258 VanDerWaalsContact O-CB 3.26Å; A1254-L1258 WeakPolarHBondContact O-CB 3.34Å; A1254-L1258 PolarHBondContact O-N 2.79Å; C1255-L1258 PolarHBondContact O-N 2.84Å; L1258-H1260 PolarHBondContact O-N 3.17Å; L1258-C1261 PolarHBondContact O-N 3.31Å; L1258-L1262 HydrophobicContact CD1-CD1 3.78Å; L1258-L1262 HydrophobicContact CD1-CD2 4.48Å; L1258-L1262 HydrophobicContact CD1-CG 3.96Å; L1258-L1262 HydrophobicContact CD2-CD1 4.49Å; L1258-L1262 HydrophobicContact CG-CD1 3.8Å; L1258-L1262 HydrophobicContact CG-CG 4.35Å; L1258-L1262 WeakPolarHBondContact O-CB 3.32Å; L1258-L1262 VanDerWaalsContact O-CG 3.26Å; L1258-L1262 WeakPolarHBondContact O-CG 3.35Å; L1258-L1262 PolarHBondContact O-N 3.08Å; L1258-L1286 HydrophobicContact CD1-CD2 3.91Å; L1258-L1286 HydrophobicContact CD2-CB 4.39Å; L1258-L1286 HydrophobicContact CD2-CD2 3.92Å; L1258-L1286 HydrophobicContact CD2-CG 3.92Å; L1258-L1290 HydrophobicContact CD2-CD1 3.81Å
1259Q91.1Very high88Confident139 Ų13960.1 Ų60.165%0.6530%0.303SS*.Hα-helixtrans-59.8-46.1179.2-174.9174.9-3.900111.5C1255 E1256 L1262 S1263C1255-Q1259 WeakPolarHBondContact O-CB 3.27Å; C1255-Q1259 PolarHBondContact O-N 3.47Å; E1256-Q1259 PolarHBondContact O-N 2.72Å; Q1259-L1262 PolarHBondContact O-N 3.49Å; Q1259-S1263 WeakPolarHBondContact O-CB 3.41Å; Q1259-S1263 PolarHBondContact O-N 3.42Å; Q1259-S1263 PolarHBondContact O-OG 2.81Å; Q1259-S1263 VanDerWaalsContact O-OG 3.1Å
1260H89.6Confident88.2Confident118 Ų11858.6 Ų58.655%0.54629%0.294SS..Hα-helixtrans-60.8-44.3175.2-177.2-75.6000111.9E1256 T1257 L1258 L1262 S1263 S1264E1256-H1260 VanDerWaalsContact O-CB 3.32Å; E1256-H1260 WeakPolarHBondContact O-CB 3.28Å; E1256-H1260 PolarHBondContact O-N 3.11Å; T1257-H1260 PolarHBondContact O-N 2.81Å; L1258-H1260 PolarHBondContact O-N 3.17Å; H1260-L1262 PolarHBondContact O-N 2.8Å; H1260-S1263 WeakPolarHBondContact CA-OG 3.41Å; H1260-S1263 PolarHBondContact O-N 3.26Å; H1260-S1263 PolarHBondContact O-OG 3.44Å; H1260-S1264 PolarHBondContact CE1-OG 2.98Å; H1260-S1264 VanDerWaalsContact O-CB 3.27Å; H1260-S1264 WeakPolarHBondContact O-CB 3.3Å; H1260-S1264 PolarHBondContact O-N 3.38Å; H1260-S1264 PolarHBondContact O-OG 2.9Å
1261C89.8Confident88.4Confident4 Ų457.1 Ų57.13%0.02729%0.288CS..Hα-helixtrans-65.8-37.3178.8-690000112.4L1191 T1257 L1258 N1265 L1268L1191-C1261 HydrophobicContact CD2-CB 3.86Å; T1257-C1261 VanDerWaalsContact O-CB 3.29Å; T1257-C1261 WeakPolarHBondContact O-CB 3.19Å; T1257-C1261 PolarHBondContact O-N 3.07Å; T1257-C1261 PolarHBondContact O-SG 2.78Å; L1258-C1261 PolarHBondContact O-N 3.31Å; C1261-N1265 WeakPolarHBondContact O-CA 3.35Å; C1261-N1265 WeakPolarHBondContact O-CB 3.25Å; C1261-N1265 PolarHBondContact O-N 3.49Å; C1261-L1268 HydrophobicContact CB-CD2 3.89Å
1262L90.3Very high88.4Confident33 Ų3356.3 Ų56.317%0.17329%0.285CS..Hα-helixtrans-74.3-29.7176.6-66.1172.6000113L1258 Q1259 H1260 L1268 N1269 V1272L1258-L1262 HydrophobicContact CD1-CD1 3.78Å; L1258-L1262 HydrophobicContact CD1-CD2 4.48Å; L1258-L1262 HydrophobicContact CD1-CG 3.96Å; L1258-L1262 HydrophobicContact CD2-CD1 4.49Å; L1258-L1262 HydrophobicContact CG-CD1 3.8Å; L1258-L1262 HydrophobicContact CG-CG 4.35Å; L1258-L1262 WeakPolarHBondContact O-CB 3.32Å; L1258-L1262 VanDerWaalsContact O-CG 3.26Å; L1258-L1262 WeakPolarHBondContact O-CG 3.35Å; L1258-L1262 PolarHBondContact O-N 3.08Å; Q1259-L1262 PolarHBondContact O-N 3.49Å; H1260-L1262 PolarHBondContact O-N 2.8Å; L1262-L1268 HydrophobicContact CD2-CG 4.47Å; L1262-N1269 HydrophobicContact CD2-CB 4.31Å; L1262-N1269 WeakPolarHBondContact O-CB 3.47Å; L1262-N1269 PolarHBondContact O-ND2 2.97Å; L1262-V1272 HydrophobicContact CD2-CB 3.88Å; L1262-V1272 HydrophobicContact CD2-CG1 4.16Å; L1262-V1272 HydrophobicContact CD2-CG2 3.92Å
1263S87.6Confident88.7Confident90 Ų9053.6 Ų53.663%0.62928%0.277SS*.Hα-helixtrans-79.2-37.2174.459.20000112.8Q1259 H1260Q1259-S1263 WeakPolarHBondContact O-CB 3.41Å; Q1259-S1263 PolarHBondContact O-N 3.42Å; Q1259-S1263 PolarHBondContact O-OG 2.81Å; Q1259-S1263 VanDerWaalsContact O-OG 3.1Å; H1260-S1263 WeakPolarHBondContact CA-OG 3.41Å; H1260-S1263 PolarHBondContact O-N 3.26Å; H1260-S1263 PolarHBondContact O-OG 3.44Å
1264S84.4Confident88.8Confident78 Ų7854.5 Ų54.555%0.54528%0.278SS..Hα-helixtrans-87.2-40.4-177.2-56.70000112.9H1260 Y1266H1260-S1264 PolarHBondContact CE1-OG 2.98Å; H1260-S1264 VanDerWaalsContact O-CB 3.27Å; H1260-S1264 WeakPolarHBondContact O-CB 3.3Å; H1260-S1264 PolarHBondContact O-N 3.38Å; H1260-S1264 PolarHBondContact O-OG 2.9Å; S1264-Y1266 PolarHBondContact O-N 3.04Å
1265N85.5Confident88.8Confident47 Ų4756.2 Ų56.225%0.25129%0.285SS..  trans-98.685.9175.6-168.7-25.3000109.7C1261 R1267 L1268 N1269C1261-N1265 WeakPolarHBondContact O-CA 3.35Å; C1261-N1265 WeakPolarHBondContact O-CB 3.25Å; C1261-N1265 PolarHBondContact O-N 3.49Å; N1265-R1267 PolarHBondContact O-N 3.43Å; N1265-R1267 WeakPolarHBondContact OD1-CB 3.03Å; N1265-R1267 PolarHBondContact OD1-N 3.18Å; N1265-R1267 VanDerWaalsContact OD1-N 3.11Å; N1265-L1268 HydrophobicContact CB-CB 3.8Å; N1265-L1268 HydrophobicContact CB-CD2 4.34Å; N1265-L1268 WeakPolarHBondContact O-CB 3.3Å; N1265-L1268 PolarHBondContact O-N 3.41Å; N1265-L1268 VanDerWaalsContact O-N 3.14Å; N1265-L1268 PolarHBondContact OD1-N 2.85Å; N1265-N1269 PolarHBondContact O-N 2.89Å; N1265-N1269 VanDerWaalsContact O-N 3.1Å
1266Y85.4Confident88.8Confident77 Ų7756.2 Ų56.230%0.30228%0.281SS..Hα-helixtrans-42.2-46.5171.4168.5-87.7000113.8T724 L725 S1264 N1269 Q1270T724-Y1266 WeakPolarHBondContact CA-OH 3.43Å; T724-Y1266 HydrophobicContact CG2-CD2 4.49Å; T724-Y1266 HydrophobicContact CG2-CE2 3.36Å; T724-Y1266 VanDerWaalsContact CG2-OH 3.32Å; T724-Y1266 WeakPolarHBondContact CG2-OH 3.45Å; T724-Y1266 PolarHBondContact O-OH 3.01Å; L725-Y1266 VanDerWaalsContact C-OH 3.23Å; L725-Y1266 PolarHBondContact N-OH 3.43Å; L725-Y1266 WeakPolarHBondContact O-CE1 3.49Å; L725-Y1266 PolarHBondContact O-OH 3.38Å; S1264-Y1266 PolarHBondContact O-N 3.04Å; Y1266-N1269 VanDerWaalsContact O-CB 3.31Å; Y1266-N1269 WeakPolarHBondContact O-CB 3.45Å; Y1266-N1269 PolarHBondContact O-N 3.18Å; Y1266-Q1270 HydrophobicContact CE1-CG 4.46Å; Y1266-Q1270 PolarHBondContact O-N 3.47Å; Y1266-Q1270 WeakPolarHBondContact OH-CG 3.33Å; Y1266-Q1270 PolarHBondContact OH-NE2 3.27Å
1267R86.3Confident88.6Confident112 Ų11259 Ų5942%0.42329%0.292SS..Hα-helixtrans-69.4-42-177.4-66-179.7153.6-160.111.7111.6E727 M1190 N1265 N1269 Q1270 L1271E727-R1267 HydrophobicContact CB-CG 4.45Å; E727-R1267 HydrophobicContact CG-CB 3.83Å; E727-R1267 HydrophobicContact CG-CG 3.74Å; E727-R1267 PolarHBondContact O-NH2 2.91Å; E727-R1267 VanDerWaalsContact OE2-CD 3.32Å; E727-R1267 WeakPolarHBondContact OE2-CD 3.18Å; E727-R1267 IonicContact OE2-CZ 3.75Å; E727-R1267 IonicContact OE2-NE 3.22Å; E727-R1267 IonicContact OE2-NH1 2.63Å; E727-R1267 PolarHBondContact OE2-NH1 2.85Å; M1190-R1267 HydrophobicContact CE-CB 3.34Å; N1265-R1267 PolarHBondContact O-N 3.43Å; N1265-R1267 WeakPolarHBondContact OD1-CB 3.03Å; N1265-R1267 PolarHBondContact OD1-N 3.18Å; N1265-R1267 VanDerWaalsContact OD1-N 3.11Å; R1267-N1269 PolarHBondContact O-N 3.34Å; R1267-Q1270 PolarHBondContact O-N 3.25Å; R1267-L1271 PolarHBondContact O-N 3.16Å; R1267-L1271 VanDerWaalsContact O-N 3.1Å
1268L89.5Confident88.4Confident0 Ų060.6 Ų60.60%030%0.299CS..Hα-helixtrans-59.8-34.5175177.969.5000111.7M1185 M1190 L1191 C1261 L1262 N1265 L1271 V1272M1185-L1268 HydrophobicContact CE-CD1 4.39Å; M1190-L1268 HydrophobicContact CB-CD1 4.26Å; M1190-L1268 HydrophobicContact CE-CB 4.22Å; M1190-L1268 VanDerWaalsContact CE-N 3.33Å; M1190-L1268 HydrophobicContact SD-CB 4.42Å; M1190-L1268 HydrophobicContact SD-CD1 4.24Å; L1191-L1268 HydrophobicContact CD1-CD1 4.37Å; L1191-L1268 HydrophobicContact CD1-CD2 3.99Å; L1191-L1268 HydrophobicContact CD2-CD2 3.6Å; L1191-L1268 HydrophobicContact CG-CD1 4.35Å; L1191-L1268 HydrophobicContact CG-CD2 3.78Å; C1261-L1268 HydrophobicContact CB-CD2 3.89Å; L1262-L1268 HydrophobicContact CD2-CG 4.47Å; N1265-L1268 HydrophobicContact CB-CB 3.8Å; N1265-L1268 HydrophobicContact CB-CD2 4.34Å; N1265-L1268 WeakPolarHBondContact O-CB 3.3Å; N1265-L1268 PolarHBondContact O-N 3.41Å; N1265-L1268 VanDerWaalsContact O-N 3.14Å; N1265-L1268 PolarHBondContact OD1-N 2.85Å; L1268-L1271 HydrophobicContact CD1-CD2 4.04Å; L1268-L1271 PolarHBondContact O-N 3.28Å; L1268-V1272 HydrophobicContact CD1-CG2 4.29Å; L1268-V1272 HydrophobicContact CG-CG2 4.44Å; L1268-V1272 WeakPolarHBondContact O-CG2 3.35Å; L1268-V1272 PolarHBondContact O-N 3.38Å
1269N90.7Very high87.9Confident42 Ų4266.5 Ų66.523%0.22534%0.336CS..Hα-helixtrans-60.9-44.5176.4-164.9-33.3000111.9L1262 N1265 Y1266 R1267 V1272 K1273L1262-N1269 HydrophobicContact CD2-CB 4.31Å; L1262-N1269 WeakPolarHBondContact O-CB 3.47Å; L1262-N1269 PolarHBondContact O-ND2 2.97Å; N1265-N1269 PolarHBondContact O-N 2.89Å; N1265-N1269 VanDerWaalsContact O-N 3.1Å; Y1266-N1269 VanDerWaalsContact O-CB 3.31Å; Y1266-N1269 WeakPolarHBondContact O-CB 3.45Å; Y1266-N1269 PolarHBondContact O-N 3.18Å; R1267-N1269 PolarHBondContact O-N 3.34Å; N1269-V1272 PolarHBondContact O-N 3.34Å; N1269-K1273 WeakPolarHBondContact O-CB 3.39Å; N1269-K1273 WeakPolarHBondContact O-CG 3.19Å; N1269-K1273 PolarHBondContact O-N 3.05Å; N1269-K1273 WeakPolarHBondContact OD1-CE 3.27Å
1270Q87.5Confident87.6Confident35 Ų3565.6 Ų65.616%0.16433%0.33CS..Hα-helixtrans-65.6-43.1173.6-66.1-6759.500112.6T724 Y1266 R1267 V1272 K1273 I1274T724-Q1270 VanDerWaalsContact CB-NE2 3.34Å; T724-Q1270 HydrophobicContact CG2-CG 3.85Å; T724-Q1270 VanDerWaalsContact CG2-OE1 3.26Å; T724-Q1270 PolarHBondContact O-NE2 2.91Å; Y1266-Q1270 HydrophobicContact CE1-CG 4.46Å; Y1266-Q1270 PolarHBondContact O-N 3.47Å; Y1266-Q1270 WeakPolarHBondContact OH-CG 3.33Å; Y1266-Q1270 PolarHBondContact OH-NE2 3.27Å; R1267-Q1270 PolarHBondContact O-N 3.25Å; Q1270-V1272 VanDerWaalsContact C-N 3.31Å; Q1270-V1272 PolarHBondContact O-N 3.33Å; Q1270-K1273 PolarHBondContact O-N 3.44Å; Q1270-I1274 VanDerWaalsContact O-CG1 3.3Å; Q1270-I1274 WeakPolarHBondContact O-CG1 3.19Å; Q1270-I1274 PolarHBondContact O-N 3.22Å
1271L88.2Confident87.4Confident33 Ų3360 Ų6017%0.17330%0.304CS..Hα-helixtrans-59.6-42.7178.3-176122.5000111.3M1185 M1190 R1267 L1268 I1274 F1275M1185-L1271 HydrophobicContact CG-CD2 4.31Å; M1190-L1271 HydrophobicContact SD-CB 4.45Å; M1190-L1271 HydrophobicContact SD-CD1 4.01Å; M1190-L1271 HydrophobicContact SD-CD2 4.14Å; M1190-L1271 HydrophobicContact SD-CG 4.45Å; R1267-L1271 PolarHBondContact O-N 3.16Å; R1267-L1271 VanDerWaalsContact O-N 3.1Å; L1268-L1271 HydrophobicContact CD1-CD2 4.04Å; L1268-L1271 PolarHBondContact O-N 3.28Å; L1271-I1274 PolarHBondContact O-N 3.01Å; L1271-F1275 HydrophobicContact CD1-CZ 4.04Å; L1271-F1275 HydrophobicContact CD2-CD2 4.21Å; L1271-F1275 HydrophobicContact CD2-CE2 3.26Å; L1271-F1275 HydrophobicContact CD2-CZ 3.52Å; L1271-F1275 HydrophobicContact CG-CE1 4.21Å; L1271-F1275 HydrophobicContact CG-CE2 3.68Å; L1271-F1275 HydrophobicContact CG-CZ 3.48Å; L1271-F1275 VanDerWaalsContact CG-CZ 3.48Å; L1271-F1275 WeakPolarHBondContact O-CD1 3.49Å; L1271-F1275 WeakPolarHBondContact O-CD2 3.4Å; L1271-F1275 WeakPolarHBondContact O-CG 3.48Å; L1271-F1275 PolarHBondContact O-N 3.34Å
1272V90Very high87Confident2 Ų267.2 Ų67.21%0.01234%0.335CS..Hα-helixtrans-67.3-41.3173.6171.40000111.9F1181 M1185 L1262 L1268 N1269 Q1270 I1274 F1275 E1276F1181-V1272 HydrophobicContact CE1-CG1 4.19Å; M1185-V1272 HydrophobicContact CE-CG2 4.16Å; M1185-V1272 HydrophobicContact CG-CG2 4.49Å; M1185-V1272 HydrophobicContact SD-CG2 4.07Å; L1262-V1272 HydrophobicContact CD2-CB 3.88Å; L1262-V1272 HydrophobicContact CD2-CG1 4.16Å; L1262-V1272 HydrophobicContact CD2-CG2 3.92Å; L1268-V1272 HydrophobicContact CD1-CG2 4.29Å; L1268-V1272 HydrophobicContact CG-CG2 4.44Å; L1268-V1272 WeakPolarHBondContact O-CG2 3.35Å; L1268-V1272 PolarHBondContact O-N 3.38Å; N1269-V1272 PolarHBondContact O-N 3.34Å; Q1270-V1272 VanDerWaalsContact C-N 3.31Å; Q1270-V1272 PolarHBondContact O-N 3.33Å; V1272-I1274 VanDerWaalsContact C-N 3.33Å; V1272-I1274 PolarHBondContact O-N 3.26Å; V1272-F1275 CarbonylContact O-C 3.44Å; V1272-F1275 WeakPolarHBondContact O-CA 3.38Å; V1272-F1275 WeakPolarHBondContact O-CB 3.13Å; V1272-F1275 PolarHBondContact O-N 3.13Å; V1272-F1275 VanDerWaalsContact O-N 3.12Å; V1272-E1276 HydrophobicContact CG1-CG 4.36Å; V1272-E1276 WeakPolarHBondContact O-CG 3.24Å; V1272-E1276 PolarHBondContact O-N 2.8Å
1273K89.5Confident86.4Confident80 Ų8068.4 Ų68.435%0.34836%0.355SS..Hα-helixtrans-61.2-36.7173.4-77.3169.7176171.90113.4N1269 Q1270 F1275 E1276 K1277N1269-K1273 WeakPolarHBondContact O-CB 3.39Å; N1269-K1273 WeakPolarHBondContact O-CG 3.19Å; N1269-K1273 PolarHBondContact O-N 3.05Å; N1269-K1273 WeakPolarHBondContact OD1-CE 3.27Å; Q1270-K1273 PolarHBondContact O-N 3.44Å; K1273-F1275 VanDerWaalsContact C-N 3.35Å; K1273-E1276 PolarHBondContact O-N 3.2Å; K1273-K1277 PolarHBondContact O-N 3.4Å; K1273-K1277 VanDerWaalsContact O-N 3.15Å
1274I88.1Confident86.3Confident91 Ų9167.7 Ų67.747%0.46734%0.343SS..Hα-helixtrans-65.5-41.7173.6-69.9163.8000109.9Q1270 L1271 V1272 E1276 K1277Q1270-I1274 VanDerWaalsContact O-CG1 3.3Å; Q1270-I1274 WeakPolarHBondContact O-CG1 3.19Å; Q1270-I1274 PolarHBondContact O-N 3.22Å; L1271-I1274 PolarHBondContact O-N 3.01Å; V1272-I1274 VanDerWaalsContact C-N 3.33Å; V1272-I1274 PolarHBondContact O-N 3.26Å; I1274-E1276 VanDerWaalsContact C-N 3.34Å; I1274-K1277 PolarHBondContact O-N 2.7Å
1275F90.3Very high86.5Confident36 Ų3666.6 Ų66.616%0.15833%0.334CS..Hα-helixtrans-65.7-36.7173.6-58.3-19.1000111.9V1180 F1181 P1184 M1185 L1271 V1272 K1273 K1277 N1278 I1281V1180-F1275 HydrophobicContact CG1-CB 4.1Å; V1180-F1275 WeakPolarHBondContact O-CD2 3.36Å; F1181-F1275 HydrophobicContact CD1-CB 3.77Å; F1181-F1275 HydrophobicContact CD1-CD2 4.09Å; F1181-F1275 HydrophobicContact CD1-CG 4.45Å; F1181-F1275 HydrophobicContact CE1-CB 3.59Å; F1181-F1275 HydrophobicContact CZ-CB 4.43Å; P1184-F1275 HydrophobicContact CB-CD2 4.31Å; P1184-F1275 HydrophobicContact CB-CE1 3.96Å; P1184-F1275 HydrophobicContact CB-CE2 3.44Å; P1184-F1275 VanDerWaalsContact CB-CE2 3.44Å; P1184-F1275 HydrophobicContact CB-CZ 3.24Å; P1184-F1275 HydrophobicContact CG-CE2 4.44Å; P1184-F1275 HydrophobicContact CG-CZ 4.28Å; M1185-F1275 HydrophobicContact CG-CD2 4.42Å; M1185-F1275 HydrophobicContact CG-CE2 4.05Å; L1271-F1275 HydrophobicContact CD1-CZ 4.04Å; L1271-F1275 HydrophobicContact CD2-CD2 4.21Å; L1271-F1275 HydrophobicContact CD2-CE2 3.26Å; L1271-F1275 HydrophobicContact CD2-CZ 3.52Å; L1271-F1275 HydrophobicContact CG-CE1 4.21Å; L1271-F1275 HydrophobicContact CG-CE2 3.68Å; L1271-F1275 HydrophobicContact CG-CZ 3.48Å; L1271-F1275 VanDerWaalsContact CG-CZ 3.48Å; L1271-F1275 WeakPolarHBondContact O-CD1 3.49Å; L1271-F1275 WeakPolarHBondContact O-CD2 3.4Å; L1271-F1275 WeakPolarHBondContact O-CG 3.48Å; L1271-F1275 PolarHBondContact O-N 3.34Å; V1272-F1275 CarbonylContact O-C 3.44Å; V1272-F1275 WeakPolarHBondContact O-CA 3.38Å; V1272-F1275 WeakPolarHBondContact O-CB 3.13Å; V1272-F1275 PolarHBondContact O-N 3.13Å; V1272-F1275 VanDerWaalsContact O-N 3.12Å; K1273-F1275 VanDerWaalsContact C-N 3.35Å; F1275-K1277 PolarHBondContact O-N 2.95Å; F1275-N1278 WeakPolarHBondContact O-CB 3.48Å; F1275-N1278 PolarHBondContact O-N 2.78Å; F1275-I1281 WeakPolarHBondContact O-CD1 3.28Å
1276E89.9Confident86.8Confident47 Ų4764.4 Ų64.422%0.2232%0.322CS..Hα-helixtrans-61.7-26.1174.3-74.8177.6167.100113.4F1181 V1272 K1273 I1274 N1278 I1281 P1285 L1286F1181-E1276 HydrophobicContact CE1-CG 3.94Å; F1181-E1276 HydrophobicContact CZ-CG 3.88Å; V1272-E1276 HydrophobicContact CG1-CG 4.36Å; V1272-E1276 WeakPolarHBondContact O-CG 3.24Å; V1272-E1276 PolarHBondContact O-N 2.8Å; K1273-E1276 PolarHBondContact O-N 3.2Å; I1274-E1276 VanDerWaalsContact C-N 3.34Å; E1276-N1278 VanDerWaalsContact C-N 3.26Å; E1276-N1278 PolarHBondContact O-N 2.71Å; E1276-I1281 VanDerWaalsContact CA-CD1 3.48Å; E1276-P1285 WeakPolarHBondContact OE1-CA 3.43Å; E1276-P1285 WeakPolarHBondContact OE1-CB 3.41Å; E1276-L1286 PolarHBondContact OE1-N 2.98Å
1277K85.2Confident87.1Confident141 Ų14163.7 Ų63.761%0.61333%0.329SS*.THydrogen-bonded Turntrans-74.3-5.8170.6-67.7175.8178.5179.90113.7E754 K1273 I1274 F1275E754-K1277 IonicContact OE1-NZ 2.66Å; E754-K1277 PolarHBondContact OE1-NZ 3.07Å; K1273-K1277 PolarHBondContact O-N 3.4Å; K1273-K1277 VanDerWaalsContact O-N 3.15Å; I1274-K1277 PolarHBondContact O-N 2.7Å; F1275-K1277 PolarHBondContact O-N 2.95Å
1278N85.3Confident87.3Confident61 Ų6160 Ų6033%0.32632%0.321SS..  trans-70.9132.2-177.4-170.4-47.3000112.2V1180 F1275 E1276 K1280 I1281V1180-N1278 HydrophobicContact CG1-CB 3.94Å; F1275-N1278 WeakPolarHBondContact O-CB 3.48Å; F1275-N1278 PolarHBondContact O-N 2.78Å; E1276-N1278 VanDerWaalsContact C-N 3.26Å; E1276-N1278 PolarHBondContact O-N 2.71Å; N1278-K1280 VanDerWaalsContact C-N 3.25Å; N1278-K1280 PolarHBondContact O-N 3.09Å; N1278-K1280 VanDerWaalsContact O-N 3.17Å; N1278-K1280 PolarHBondContact OD1-N 2.65Å; N1278-K1280 VanDerWaalsContact OD1-N 3.07Å; N1278-I1281 HydrophobicContact CB-CD1 4.42Å; N1278-I1281 HydrophobicContact CB-CG1 4.19Å; N1278-I1281 WeakPolarHBondContact O-CG1 3.45Å; N1278-I1281 PolarHBondContact O-N 3.4Å
1279T82Confident87.6Confident130 Ų13060.1 Ų60.180%0.79832%0.321SS*.G310 helixtrans-61.5-28.3-175.455.40000114.2I1281 K1282T1279-I1281 VanDerWaalsContact C-N 3.28Å; T1279-I1281 PolarHBondContact O-N 3.22Å; T1279-K1282 PolarHBondContact O-N 2.7Å
1280K84.1Confident87.7Confident121 Ų12158.1 Ų58.153%0.52631%0.31SS..G310 helixtrans-61.2-35.7-179.8-68.9-175.5177.2-177.70113.1E1176 V1180 N1278E1176-K1280 HydrophobicContact CG-CB 4.41Å; V1180-K1280 HydrophobicContact CG2-CB 4.32Å; V1180-K1280 HydrophobicContact CG2-CD 4.3Å; N1278-K1280 VanDerWaalsContact C-N 3.25Å; N1278-K1280 PolarHBondContact O-N 3.09Å; N1278-K1280 VanDerWaalsContact O-N 3.17Å; N1278-K1280 PolarHBondContact OD1-N 2.65Å; N1278-K1280 VanDerWaalsContact OD1-N 3.07Å
1281I85Confident88Confident0 Ų060.2 Ų60.20%032%0.322CS..G310 helixtrans-97.511.1-175.157.5162.7000113.3E1176 V1180 F1181 F1275 E1276 N1278 T1279 G1283 L1284 Y1289E1176-I1281 HydrophobicContact CB-CG2 4.43Å; V1180-I1281 HydrophobicContact CB-CG2 4.22Å; V1180-I1281 HydrophobicContact CG1-CD1 4.24Å; V1180-I1281 HydrophobicContact CG1-CG2 4.2Å; V1180-I1281 HydrophobicContact CG2-CG2 4.24Å; F1181-I1281 HydrophobicContact CE1-CD1 4.48Å; F1181-I1281 HydrophobicContact CE2-CD1 3.71Å; F1181-I1281 HydrophobicContact CE2-CG2 4.02Å; F1181-I1281 HydrophobicContact CZ-CD1 3.43Å; F1181-I1281 VanDerWaalsContact CZ-CD1 3.43Å; F1275-I1281 WeakPolarHBondContact O-CD1 3.28Å; E1276-I1281 VanDerWaalsContact CA-CD1 3.48Å; N1278-I1281 HydrophobicContact CB-CD1 4.42Å; N1278-I1281 HydrophobicContact CB-CG1 4.19Å; N1278-I1281 WeakPolarHBondContact O-CG1 3.45Å; N1278-I1281 PolarHBondContact O-N 3.4Å; T1279-I1281 VanDerWaalsContact C-N 3.28Å; T1279-I1281 PolarHBondContact O-N 3.22Å; I1281-G1283 PolarHBondContact O-N 2.87Å; I1281-L1284 PolarHBondContact O-N 2.82Å; I1281-L1284 VanDerWaalsContact O-N 3.11Å; I1281-Y1289 VanDerWaalsContact C-OH 3.25Å; I1281-Y1289 WeakPolarHBondContact CA-OH 3.35Å; I1281-Y1289 HydrophobicContact CB-CE2 3.9Å; I1281-Y1289 HydrophobicContact CG2-CE2 4.34Å; I1281-Y1289 PolarHBondContact O-OH 3.35Å
1282K82.6Confident88.3Confident156 Ų15660.8 Ų60.868%0.67832%0.323SS*.THydrogen-bonded Turntrans56.728166.8-52.6174.1-174.5173.10114.7T1279 L1284T1279-K1282 PolarHBondContact O-N 2.7Å; K1282-L1284 PolarHBondContact O-N 2.85Å
1283G76.9Confident88.5Confident57 Ų5760.7 Ų60.759%0.58832%0.323SS*.THydrogen-bonded Turntrans69.510.4179.800000115.5I1281I1281-G1283 PolarHBondContact O-N 2.87Å
1284L84.9Confident88.7Confident76 Ų7658.7 Ų58.740%0.39832%0.315SS..  trans-85.9136.5178.1-67.9176.1000110.7I1281 K1282 S1288 Y1289I1281-L1284 PolarHBondContact O-N 2.82Å; I1281-L1284 VanDerWaalsContact O-N 3.11Å; K1282-L1284 PolarHBondContact O-N 2.85Å; L1284-S1288 WeakPolarHBondContact CB-OG 3.5Å; L1284-Y1289 HydrophobicContact CB-CD2 4.46Å; L1284-Y1289 HydrophobicContact CB-CE2 3.75Å
1285P89.5Confident89Confident54 Ų5458.3 Ų58.335%0.35131%0.311SS..  trans-68.7154.2-176.328.4-35.6000112.1E1276 S1287 S1288E1276-P1285 WeakPolarHBondContact OE1-CA 3.43Å; E1276-P1285 WeakPolarHBondContact OE1-CB 3.41Å; P1285-S1287 PolarHBondContact O-N 2.89Å; P1285-S1287 VanDerWaalsContact O-N 3.15Å; P1285-S1288 WeakPolarHBondContact O-CB 3.46Å; P1285-S1288 PolarHBondContact O-N 3.05Å; P1285-S1288 PolarHBondContact O-OG 3.18Å
1286L92.6Very high89.3Confident1 Ų157.1 Ų57.11%0.00531%0.306CS..Hα-helixtrans-54.7-38.1-176.2172.457.3000112.6V1177 F1181 M1185 F1200 L1258 E1276 S1288 Y1289 L1290V1177-L1286 HydrophobicContact CG1-CD1 4.06Å; F1181-L1286 HydrophobicContact CB-CD1 4.12Å; F1181-L1286 HydrophobicContact CB-CD2 4.35Å; F1181-L1286 HydrophobicContact CD1-CB 4.26Å; F1181-L1286 HydrophobicContact CD1-CD1 4.29Å; F1181-L1286 HydrophobicContact CD1-CD2 4.01Å; F1181-L1286 HydrophobicContact CD1-CG 4.41Å; F1181-L1286 HydrophobicContact CD2-CD1 3.71Å; F1181-L1286 HydrophobicContact CE1-CB 3.94Å; F1181-L1286 HydrophobicContact CE1-CD2 4.49Å; F1181-L1286 HydrophobicContact CE2-CB 4.29Å; F1181-L1286 HydrophobicContact CE2-CD1 4.08Å; F1181-L1286 HydrophobicContact CG-CD1 3.8Å; F1181-L1286 HydrophobicContact CG-CD2 4.19Å; F1181-L1286 HydrophobicContact CG-CG 4.4Å; F1181-L1286 HydrophobicContact CZ-CB 3.94Å; M1185-L1286 HydrophobicContact CE-CD2 4.44Å; M1185-L1286 HydrophobicContact SD-CD2 4.17Å; F1200-L1286 HydrophobicContact CE1-CD1 3.91Å; F1200-L1286 HydrophobicContact CZ-CD1 3.97Å; F1200-L1286 HydrophobicContact CZ-CD2 3.99Å; L1258-L1286 HydrophobicContact CD1-CD2 3.91Å; L1258-L1286 HydrophobicContact CD2-CB 4.39Å; L1258-L1286 HydrophobicContact CD2-CD2 3.92Å; L1258-L1286 HydrophobicContact CD2-CG 3.92Å; E1276-L1286 PolarHBondContact OE1-N 2.98Å; L1286-S1288 PolarHBondContact O-N 3.21Å; L1286-Y1289 WeakPolarHBondContact O-CB 3.49Å; L1286-Y1289 PolarHBondContact O-N 3.03Å; L1286-L1290 HydrophobicContact CD1-CG 4.44Å; L1286-L1290 PolarHBondContact O-N 3.33Å; L1286-L1290 VanDerWaalsContact O-N 3.14Å
1287S90.9Very high89.5Confident63 Ų6354.9 Ų54.944%0.44130%0.295SS..Hα-helixtrans-56.8-34.1176.456.50000113.5P1285 Y1289 L1290 L1291P1285-S1287 PolarHBondContact O-N 2.89Å; P1285-S1287 VanDerWaalsContact O-N 3.15Å; S1287-Y1289 VanDerWaalsContact C-N 3.32Å; S1287-Y1289 PolarHBondContact O-N 3.5Å; S1287-L1290 PolarHBondContact O-N 3.2Å; S1287-L1291 PolarHBondContact O-N 3.13Å
1288S91.7Very high89.9Confident35 Ų3551.3 Ų51.325%0.24529%0.285CS..Hα-helixtrans-70-29.317776.60000112.7L1284 P1285 L1286 L1291L1284-S1288 WeakPolarHBondContact CB-OG 3.5Å; P1285-S1288 WeakPolarHBondContact O-CB 3.46Å; P1285-S1288 PolarHBondContact O-N 3.05Å; P1285-S1288 PolarHBondContact O-OG 3.18Å; L1286-S1288 PolarHBondContact O-N 3.21Å; S1288-L1291 PolarHBondContact O-N 2.95Å
1289Y93.9Very high90.3Very high2 Ų253.9 Ų53.91%0.00829%0.294CS..Hα-helixtrans-75.3-39.1175.5-80.8-88.5000111.9V1177 I1281 L1284 L1286 S1287 L1291 K1292V1177-Y1289 VanDerWaalsContact CG2-CB 3.48Å; V1177-Y1289 HydrophobicContact CG2-CD1 3.21Å; V1177-Y1289 HydrophobicContact CG2-CD2 4.38Å; V1177-Y1289 HydrophobicContact CG2-CE1 4.03Å; V1177-Y1289 HydrophobicContact CG2-CG 3.44Å; V1177-Y1289 VanDerWaalsContact CG2-CG 3.44Å; I1281-Y1289 VanDerWaalsContact C-OH 3.25Å; I1281-Y1289 WeakPolarHBondContact CA-OH 3.35Å; I1281-Y1289 HydrophobicContact CB-CE2 3.9Å; I1281-Y1289 HydrophobicContact CG2-CE2 4.34Å; I1281-Y1289 PolarHBondContact O-OH 3.35Å; L1284-Y1289 HydrophobicContact CB-CD2 4.46Å; L1284-Y1289 HydrophobicContact CB-CE2 3.75Å; L1286-Y1289 WeakPolarHBondContact O-CB 3.49Å; L1286-Y1289 PolarHBondContact O-N 3.03Å; S1287-Y1289 VanDerWaalsContact C-N 3.32Å; S1287-Y1289 PolarHBondContact O-N 3.5Å; Y1289-L1291 PolarHBondContact O-N 3.25Å; Y1289-L1291 VanDerWaalsContact O-N 3.14Å; Y1289-K1292 HydrophobicContact CD1-CD 3.77Å; Y1289-K1292 HydrophobicContact CE1-CD 4.26Å; Y1289-K1292 HydrophobicContact CG-CD 4.49Å; Y1289-K1292 WeakPolarHBondContact O-CB 3.4Å; Y1289-K1292 WeakPolarHBondContact O-CG 3.38Å; Y1289-K1292 PolarHBondContact O-N 3.03Å
1290L93.9Very high90.9Very high0 Ų047.8 Ų47.80%026%0.256CS..Hα-helixtrans-61-19.6173.4-62.7-179.3000112.7I1199 F1200 W1203 Y1247 Q1251 L1258 L1286 S1287I1199-L1290 HydrophobicContact CG2-CD1 4.31Å; I1199-L1290 WeakPolarHBondContact O-CD2 3.33Å; F1200-L1290 HydrophobicContact CD1-CD2 4.02Å; F1200-L1290 HydrophobicContact CE1-CD2 4.04Å; W1203-L1290 HydrophobicContact CE3-CD2 4.34Å; W1203-L1290 HydrophobicContact CH2-CD2 4.31Å; W1203-L1290 HydrophobicContact CZ3-CD2 3.83Å; Y1247-L1290 WeakPolarHBondContact CE1-O 3.36Å; Y1247-L1290 WeakPolarHBondContact OH-CA 3.26Å; Y1247-L1290 PolarHBondContact OH-O 3.44Å; Q1251-L1290 PolarHBondContact NE2-O 3.09Å; L1258-L1290 HydrophobicContact CD2-CD1 3.81Å; L1286-L1290 HydrophobicContact CD1-CG 4.44Å; L1286-L1290 PolarHBondContact O-N 3.33Å; L1286-L1290 VanDerWaalsContact O-N 3.14Å; S1287-L1290 PolarHBondContact O-N 3.2Å
1291L93.7Very high91.4Very high79 Ų7943.3 Ų43.341%0.41424%0.237SC..THydrogen-bonded Turntrans-77.5-22.3174-16556.3000113.7S1287 S1288 Y1289 M1294 Q1295S1287-L1291 PolarHBondContact O-N 3.13Å; S1288-L1291 PolarHBondContact O-N 2.95Å; Y1289-L1291 PolarHBondContact O-N 3.25Å; Y1289-L1291 VanDerWaalsContact O-N 3.14Å; L1291-M1294 PolarHBondContact O-N 3.24Å; L1291-Q1295 HydrophobicContact CG-CG 4.14Å; L1291-Q1295 PolarHBondContact O-N 2.9Å
1292K94.6Very high91.8Very high45 Ų4548.6 Ų48.620%0.19626%0.264CS..Hα-helixtrans-60.3-40.1-169.3-66.9-178.2-172.6-62.10115.3Y1170 Y1289 M1294 Q1295 R1296Y1170-K1292 HydrophobicContact CD2-CB 4.39Å; Y1170-K1292 HydrophobicContact CE2-CB 4.11Å; Y1289-K1292 HydrophobicContact CD1-CD 3.77Å; Y1289-K1292 HydrophobicContact CE1-CD 4.26Å; Y1289-K1292 HydrophobicContact CG-CD 4.49Å; Y1289-K1292 WeakPolarHBondContact O-CB 3.4Å; Y1289-K1292 WeakPolarHBondContact O-CG 3.38Å; Y1289-K1292 PolarHBondContact O-N 3.03Å; K1292-M1294 PolarHBondContact O-N 3.41Å; K1292-Q1295 CarbonylContact O-C 3.54Å; K1292-Q1295 WeakPolarHBondContact O-CB 3.47Å; K1292-Q1295 PolarHBondContact O-N 3.03Å; K1292-R1296 PolarHBondContact O-N 3.38Å
1293P94.7Very high92.3Very high0 Ų041.4 Ų41.40%023%0.233CC..Hα-helixtrans-63.1-39.5-179.6-24.635.4000113.1Y1170 L1174 W1203 L1206 Y1244 Y1247 R1296 I1297Y1170-P1293 WeakPolarHBondContact OH-CA 3.38Å; Y1170-P1293 WeakPolarHBondContact OH-CB 3.37Å; L1174-P1293 HydrophobicContact CD2-CG 4.28Å; W1203-P1293 HydrophobicContact CH2-CG 4.34Å; W1203-P1293 HydrophobicContact CZ3-CG 3.99Å; L1206-P1293 HydrophobicContact CD1-CB 4.02Å; L1206-P1293 HydrophobicContact CD1-CG 3.87Å; L1206-P1293 HydrophobicContact CD2-CB 4.42Å; Y1244-P1293 HydrophobicContact CD1-CB 4.04Å; Y1244-P1293 WeakPolarHBondContact CD1-O 3.19Å; Y1244-P1293 HydrophobicContact CE1-CB 4.14Å; Y1247-P1293 HydrophobicContact CD1-CB 3.6Å; Y1247-P1293 HydrophobicContact CD1-CG 3.94Å; Y1247-P1293 HydrophobicContact CE1-CB 3.74Å; Y1247-P1293 HydrophobicContact CE1-CG 3.63Å; Y1247-P1293 HydrophobicContact CE2-CG 4.36Å; Y1247-P1293 HydrophobicContact CG-CB 4.18Å; Y1247-P1293 HydrophobicContact CG-CG 4.41Å; P1293-R1296 PolarHBondContact O-N 3.36Å; P1293-I1297 WeakPolarHBondContact O-CG2 3.49Å; P1293-I1297 PolarHBondContact O-N 3.4Å
1294M92.8Very high93.1Very high37 Ų3738.8 Ų38.818%0.18221%0.205CC..Hα-helixtrans-63-40.6173.5-174.475.575.800111.8C1248 L1291 K1292 R1296 I1297 T1298 I1339C1248-M1294 HydrophobicContact CB-CE 3.49Å; C1248-M1294 VanDerWaalsContact CB-CE 3.49Å; C1248-M1294 HydrophobicContact CB-SD 4.03Å; C1248-M1294 VanDerWaalsContact SG-CE 3.53Å; C1248-M1294 PolarHBondContact SG-SD 3.3Å; L1291-M1294 PolarHBondContact O-N 3.24Å; K1292-M1294 PolarHBondContact O-N 3.41Å; M1294-R1296 VanDerWaalsContact C-N 3.32Å; M1294-R1296 PolarHBondContact O-N 3.33Å; M1294-I1297 WeakPolarHBondContact O-CG2 3.39Å; M1294-T1298 WeakPolarHBondContact O-CG2 3.3Å; M1294-T1298 PolarHBondContact O-N 3.03Å; M1294-T1298 PolarHBondContact O-OG1 3.47Å; M1294-I1339 HydrophobicContact CE-CD1 3.56Å; M1294-I1339 HydrophobicContact CE-CG1 4.29Å; M1294-I1339 HydrophobicContact SD-CD1 3.86Å
1295Q94.3Very high93.5Very high84 Ų8438.5 Ų38.539%0.39320%0.202SC..Hα-helixtrans-68-29.5174.4-65.4174.2-15.600112.6L1291 K1292 T1298 K1299L1291-Q1295 HydrophobicContact CG-CG 4.14Å; L1291-Q1295 PolarHBondContact O-N 2.9Å; K1292-Q1295 CarbonylContact O-C 3.54Å; K1292-Q1295 WeakPolarHBondContact O-CB 3.47Å; K1292-Q1295 PolarHBondContact O-N 3.03Å; Q1295-T1298 PolarHBondContact O-OG1 2.89Å; Q1295-T1298 VanDerWaalsContact O-OG1 3.1Å; Q1295-K1299 WeakPolarHBondContact O-CB 3.34Å; Q1295-K1299 VanDerWaalsContact O-CG 3.22Å; Q1295-K1299 WeakPolarHBondContact O-CG 3.4Å; Q1295-K1299 PolarHBondContact O-N 3.37Å
1296R96.5Very high93.7Very high11 Ų1138.4 Ų38.44%0.04220%0.196CC..Hα-helixtrans-79.9-45.7-178.8-172.559.3175.7165-0.1112.2L1163 T1166 E1167 Y1170 Y1244 K1292 P1293 M1294 T1298 K1299 Y1300L1163-R1296 PolarHBondContact O-NH2 3.17Å; T1166-R1296 PolarHBondContact OG1-NH1 2.96Å; T1166-R1296 PolarHBondContact OG1-NH2 3Å; E1167-R1296 VanDerWaalsContact CA-NH2 3.25Å; E1167-R1296 IonicContact OE2-CZ 2.58Å; E1167-R1296 IonicContact OE2-NE 2.81Å; E1167-R1296 PolarHBondContact OE2-NE 2.98Å; E1167-R1296 IonicContact OE2-NH2 3.8Å; E1167-R1296 PolarHBondContact OE2-NH2 3.43Å; Y1170-R1296 HydrophobicContact CD1-CB 4.45Å; Y1170-R1296 HydrophobicContact CD1-CG 3.81Å; Y1170-R1296 HydrophobicContact CD2-CB 3.78Å; Y1170-R1296 HydrophobicContact CD2-CG 3.92Å; Y1170-R1296 HydrophobicContact CE1-CB 4.32Å; Y1170-R1296 HydrophobicContact CE1-CG 3.94Å; Y1170-R1296 HydrophobicContact CE2-CB 3.6Å; Y1170-R1296 HydrophobicContact CE2-CG 4.04Å; Y1170-R1296 HydrophobicContact CG-CB 4.21Å; Y1170-R1296 HydrophobicContact CG-CG 3.8Å; Y1244-R1296 HydrophobicContact CE1-CB 4.36Å; K1292-R1296 PolarHBondContact O-N 3.38Å; P1293-R1296 PolarHBondContact O-N 3.36Å; M1294-R1296 VanDerWaalsContact C-N 3.32Å; M1294-R1296 PolarHBondContact O-N 3.33Å; R1296-T1298 VanDerWaalsContact C-N 3.25Å; R1296-T1298 PolarHBondContact O-N 2.86Å; R1296-K1299 PolarHBondContact O-N 2.9Å; R1296-K1299 VanDerWaalsContact O-N 3.08Å; R1296-Y1300 HydrophobicContact CG-CE1 3.98Å; R1296-Y1300 HydrophobicContact CG-CE2 3.96Å; R1296-Y1300 PolarHBondContact O-N 3.29Å
1297I94.2Very high93.7Very high0 Ų038.4 Ų38.40%020%0.196CC..Hα-helixtrans-61.4-35.8179.3-166.255.1000112F1241 Y1244 P1293 M1294 Y1300 M1328 L1331 L1332 I1335F1241-I1297 HydrophobicContact CB-CD1 4.12Å; F1241-I1297 HydrophobicContact CD2-CD1 4.05Å; F1241-I1297 HydrophobicContact CG-CD1 4.33Å; Y1244-I1297 HydrophobicContact CD1-CB 3.72Å; Y1244-I1297 HydrophobicContact CD1-CG1 4.35Å; Y1244-I1297 HydrophobicContact CD1-CG2 4.36Å; Y1244-I1297 HydrophobicContact CD2-CD1 4.26Å; Y1244-I1297 HydrophobicContact CE1-CB 4.33Å; Y1244-I1297 HydrophobicContact CG-CB 4.03Å; Y1244-I1297 HydrophobicContact CG-CD1 4.09Å; Y1244-I1297 HydrophobicContact CG-CG1 4.13Å; P1293-I1297 WeakPolarHBondContact O-CG2 3.49Å; P1293-I1297 PolarHBondContact O-N 3.4Å; M1294-I1297 WeakPolarHBondContact O-CG2 3.39Å; I1297-Y1300 HydrophobicContact CD1-CD2 3.85Å; I1297-Y1300 HydrophobicContact CD1-CE2 4.34Å; I1297-M1328 HydrophobicContact CD1-SD 4.45Å; I1297-L1331 HydrophobicContact CD1-CD2 3.98Å; I1297-L1332 HydrophobicContact CB-CD2 4.49Å; I1297-L1332 HydrophobicContact CG1-CD2 3.96Å; I1297-L1332 HydrophobicContact CG2-CD2 4.18Å; I1297-I1335 HydrophobicContact CD1-CD1 4.41Å; I1297-I1335 HydrophobicContact CG1-CD1 3.61Å
1298T92.9Very high93.7Very high65 Ų6535.8 Ų35.840%0.39918%0.179SC..Hα-helixtrans-70.8-37.8173.248.50000112.8M1294 Q1295 R1296 K1301 L1332M1294-T1298 WeakPolarHBondContact O-CG2 3.3Å; M1294-T1298 PolarHBondContact O-N 3.03Å; M1294-T1298 PolarHBondContact O-OG1 3.47Å; Q1295-T1298 PolarHBondContact O-OG1 2.89Å; Q1295-T1298 VanDerWaalsContact O-OG1 3.1Å; R1296-T1298 VanDerWaalsContact C-N 3.25Å; R1296-T1298 PolarHBondContact O-N 2.86Å; T1298-K1301 WeakPolarHBondContact O-CB 3.03Å; T1298-K1301 PolarHBondContact O-N 3.3Å; T1298-L1332 HydrophobicContact CG2-CD2 4.04Å
1299K95Very high93.6Very high116 Ų11638.4 Ų38.450%0.50419%0.193SC..Hα-helixtrans-67.7-31.3175.1-78.2178.4-179.9-167.60114.1Q1295 R1296 K1301 L1302 I1303Q1295-K1299 WeakPolarHBondContact O-CB 3.34Å; Q1295-K1299 VanDerWaalsContact O-CG 3.22Å; Q1295-K1299 WeakPolarHBondContact O-CG 3.4Å; Q1295-K1299 PolarHBondContact O-N 3.37Å; R1296-K1299 PolarHBondContact O-N 2.9Å; R1296-K1299 VanDerWaalsContact O-N 3.08Å; K1299-K1301 PolarHBondContact O-N 2.86Å; K1299-L1302 PolarHBondContact O-N 3.37Å; K1299-I1303 WeakPolarHBondContact O-CG1 3.39Å; K1299-I1303 PolarHBondContact O-N 2.97Å; K1299-I1303 VanDerWaalsContact O-N 3.16Å
1300Y95Very high93.4Very high2 Ų239.1 Ų39.11%0.00820%0.197CC..Hα-helixtrans-57.1-38.1176.2-68.3-43.5000112.2L1163 E1167 F1213 F1241 Y1244 R1296 I1297 I1303 V1304 M1328L1163-Y1300 HydrophobicContact CD1-CD1 4.09Å; L1163-Y1300 HydrophobicContact CD1-CE1 4.32Å; E1167-Y1300 PolarHBondContact OE1-OH 3.41Å; E1167-Y1300 WeakPolarHBondContact OE2-CE1 3.2Å; E1167-Y1300 PolarHBondContact OE2-OH 2.91Å; F1213-Y1300 HydrophobicContact CD1-CE1 4.34Å; F1213-Y1300 HydrophobicContact CE1-CD1 4.38Å; F1213-Y1300 AromaticContact CE1-CE1 3.65Å; F1213-Y1300 HydrophobicContact CE1-CE1 3.65Å; F1213-Y1300 AromaticContact CE1-CZ 3.99Å; F1241-Y1300 AromaticContact CD2-CD2 3.93Å; F1241-Y1300 HydrophobicContact CD2-CD2 3.93Å; F1241-Y1300 HydrophobicContact CD2-CE2 4.03Å; F1241-Y1300 HydrophobicContact CE1-CE2 4.06Å; F1241-Y1300 AromaticContact CE2-CD2 3.48Å; F1241-Y1300 HydrophobicContact CE2-CD2 3.48Å; F1241-Y1300 VanDerWaalsContact CE2-CD2 3.48Å; F1241-Y1300 AromaticContact CE2-CE2 3.51Å; F1241-Y1300 HydrophobicContact CE2-CE2 3.51Å; F1241-Y1300 HydrophobicContact CE2-CG 4.1Å; F1241-Y1300 AromaticContact CZ-CD2 3.98Å; F1241-Y1300 HydrophobicContact CZ-CD2 3.98Å; F1241-Y1300 HydrophobicContact CZ-CE1 4.36Å; F1241-Y1300 AromaticContact CZ-CE2 3.53Å; F1241-Y1300 HydrophobicContact CZ-CE2 3.53Å; F1241-Y1300 AromaticContact CZ-CZ 3.75Å; Y1244-Y1300 HydrophobicContact CE2-CE2 4.31Å; Y1244-Y1300 AromaticContact CZ-CE2 3.99Å; Y1244-Y1300 PolarHBondContact OH-OH 2.92Å; Y1244-Y1300 VanDerWaalsContact OH-OH 3.06Å; R1296-Y1300 HydrophobicContact CG-CE1 3.98Å; R1296-Y1300 HydrophobicContact CG-CE2 3.96Å; R1296-Y1300 PolarHBondContact O-N 3.29Å; I1297-Y1300 HydrophobicContact CD1-CD2 3.85Å; I1297-Y1300 HydrophobicContact CD1-CE2 4.34Å; Y1300-I1303 PolarHBondContact O-N 2.91Å; Y1300-V1304 VanDerWaalsContact O-CB 3.23Å; Y1300-V1304 WeakPolarHBondContact O-CB 3.25Å; Y1300-V1304 WeakPolarHBondContact O-CG2 3.41Å; Y1300-V1304 PolarHBondContact O-N 2.97Å; Y1300-M1328 HydrophobicContact CG-CE 4.37Å
1301K92.9Very high93.1Very high27 Ų2739.3 Ų39.312%0.11720%0.198CC..Hα-helixtrans-56.5-51.5175.7-179.669.4179.8129.40112.2T1298 K1299 I1303 V1304 E1305 N1325 M1328 S1329 L1332T1298-K1301 WeakPolarHBondContact O-CB 3.03Å; T1298-K1301 PolarHBondContact O-N 3.3Å; K1299-K1301 PolarHBondContact O-N 2.86Å; K1301-I1303 PolarHBondContact O-N 3.48Å; K1301-V1304 PolarHBondContact O-N 2.89Å; K1301-E1305 WeakPolarHBondContact CE-OE1 3.43Å; K1301-E1305 VanDerWaalsContact NZ-CD 3.35Å; K1301-E1305 IonicContact NZ-OE1 2.62Å; K1301-E1305 PolarHBondContact NZ-OE1 3.35Å; K1301-E1305 WeakPolarHBondContact O-CB 3.47Å; K1301-E1305 VanDerWaalsContact O-CG 3.29Å; K1301-E1305 WeakPolarHBondContact O-CG 3.48Å; K1301-E1305 PolarHBondContact O-N 3.27Å; K1301-N1325 PolarHBondContact NZ-OD1 2.79Å; K1301-M1328 HydrophobicContact CB-CG 3.88Å; K1301-M1328 HydrophobicContact CD-CB 4.16Å; K1301-M1328 HydrophobicContact CD-CG 3.83Å; K1301-M1328 HydrophobicContact CG-CG 4.48Å; K1301-S1329 VanDerWaalsContact CE-OG 3.24Å; K1301-S1329 WeakPolarHBondContact CE-OG 3.47Å; K1301-S1329 PolarHBondContact NZ-OG 2.87Å; K1301-L1332 HydrophobicContact CB-CD1 3.48Å; K1301-L1332 VanDerWaalsContact CB-CD1 3.48Å; K1301-L1332 HydrophobicContact CD-CD1 4.3Å; K1301-L1332 HydrophobicContact CG-CD1 3.84Å
1302L93.8Very high92.4Very high110 Ų11038.1 Ų38.158%0.57619%0.19SC*.Hα-helixtrans-62.8-42.1-178.6-58.2176.6000112.2K1299 E1305 K1306K1299-L1302 PolarHBondContact O-N 3.37Å; L1302-E1305 PolarHBondContact O-N 2.89Å; L1302-K1306 WeakPolarHBondContact O-CB 3.45Å; L1302-K1306 PolarHBondContact O-N 3.49Å
1303I94.5Very high91.7Very high6 Ų641.7 Ų41.73%0.03121%0.211CC..Hα-helixtrans-69.9-41.8179.3-59.6169.9000110.6L1163 K1299 Y1300 K1301 K1306 I1307L1163-I1303 HydrophobicContact CB-CG2 3.86Å; L1163-I1303 HydrophobicContact CD1-CD1 4.33Å; L1163-I1303 HydrophobicContact CD1-CG2 4.14Å; L1163-I1303 HydrophobicContact CG-CG2 4.48Å; K1299-I1303 WeakPolarHBondContact O-CG1 3.39Å; K1299-I1303 PolarHBondContact O-N 2.97Å; K1299-I1303 VanDerWaalsContact O-N 3.16Å; Y1300-I1303 PolarHBondContact O-N 2.91Å; K1301-I1303 PolarHBondContact O-N 3.48Å; I1303-K1306 WeakPolarHBondContact O-CB 3.04Å; I1303-K1306 PolarHBondContact O-N 3.27Å; I1303-I1307 HydrophobicContact CG2-CD1 4.22Å; I1303-I1307 WeakPolarHBondContact O-CG1 3.22Å; I1303-I1307 PolarHBondContact O-N 2.91Å
1304V93Very high90.7Very high1 Ų145.9 Ų45.91%0.00624%0.24CC..Hα-helixtrans-64.2-39.9175.1165.40000111.6L1234 Y1300 K1301 I1307 A1308 V1324 N1325 M1328L1234-V1304 HydrophobicContact CD1-CG2 4.32Å; L1234-V1304 HydrophobicContact CD2-CG2 4.19Å; Y1300-V1304 VanDerWaalsContact O-CB 3.23Å; Y1300-V1304 WeakPolarHBondContact O-CB 3.25Å; Y1300-V1304 WeakPolarHBondContact O-CG2 3.41Å; Y1300-V1304 PolarHBondContact O-N 2.97Å; K1301-V1304 PolarHBondContact O-N 2.89Å; V1304-I1307 PolarHBondContact O-N 3.23Å; V1304-A1308 WeakPolarHBondContact O-CB 3.32Å; V1304-A1308 PolarHBondContact O-N 3.42Å; V1304-V1324 HydrophobicContact CG1-CG1 3.7Å; V1304-V1324 HydrophobicContact CG2-CG1 4.18Å; V1304-N1325 VanDerWaalsContact CG1-CA 3.49Å; V1304-N1325 HydrophobicContact CG1-CB 3.77Å; V1304-M1328 HydrophobicContact CG2-CE 4.38Å
1305E93.5Very high89.8Confident71 Ų7145.3 Ų45.333%0.33224%0.239SC..Hα-helixtrans-60.1-46.3173-78176.1152.400111.3K1301 L1302 I1307 A1308 T1309 N1325K1301-E1305 WeakPolarHBondContact CE-OE1 3.43Å; K1301-E1305 VanDerWaalsContact NZ-CD 3.35Å; K1301-E1305 IonicContact NZ-OE1 2.62Å; K1301-E1305 PolarHBondContact NZ-OE1 3.35Å; K1301-E1305 WeakPolarHBondContact O-CB 3.47Å; K1301-E1305 VanDerWaalsContact O-CG 3.29Å; K1301-E1305 WeakPolarHBondContact O-CG 3.48Å; K1301-E1305 PolarHBondContact O-N 3.27Å; L1302-E1305 PolarHBondContact O-N 2.89Å; E1305-I1307 VanDerWaalsContact C-N 3.33Å; E1305-I1307 PolarHBondContact O-N 2.97Å; E1305-A1308 WeakPolarHBondContact O-CA 3.44Å; E1305-A1308 WeakPolarHBondContact O-CB 3.47Å; E1305-A1308 PolarHBondContact O-N 3.44Å; E1305-T1309 WeakPolarHBondContact O-CG2 3.37Å; E1305-T1309 PolarHBondContact O-N 3.47Å; E1305-T1309 PolarHBondContact O-OG1 2.92Å; E1305-N1325 WeakPolarHBondContact CG-OD1 3.43Å
1306K93.1Very high88.9Confident52 Ų5246.7 Ų46.723%0.22626%0.255CS..Hα-helixtrans-61.7-36.5176.4-169.1-179.6178.11770112.8A1159 E1162 L1302 I1303 T1309 N1310A1159-K1306 HydrophobicContact CB-CB 4.21Å; A1159-K1306 HydrophobicContact CB-CD 3.81Å; A1159-K1306 HydrophobicContact CB-CG 3.81Å; E1162-K1306 IonicContact OE2-NZ 3.21Å; E1162-K1306 PolarHBondContact OE2-NZ 3.38Å; L1302-K1306 WeakPolarHBondContact O-CB 3.45Å; L1302-K1306 PolarHBondContact O-N 3.49Å; I1303-K1306 WeakPolarHBondContact O-CB 3.04Å; I1303-K1306 PolarHBondContact O-N 3.27Å; K1306-T1309 PolarHBondContact O-OG1 3.47Å; K1306-N1310 WeakPolarHBondContact O-CB 3.3Å; K1306-N1310 PolarHBondContact O-N 2.89Å; K1306-N1310 PolarHBondContact O-ND2 3.5Å
1307I92.4Very high88.3Confident0 Ų046.1 Ų46.10%025%0.253CS..Hα-helixtrans-68.4-40.4171.4-63.3167.1000110.3R1156 A1159 I1160 I1230 I1303 V1304 E1305 T1311 V1321R1156-I1307 HydrophobicContact CG-CG2 4.38Å; A1159-I1307 HydrophobicContact CB-CG1 3.7Å; I1160-I1307 HydrophobicContact CG1-CD1 3.93Å; I1160-I1307 HydrophobicContact CG1-CG1 4.15Å; I1230-I1307 HydrophobicContact CG2-CG2 4.22Å; I1303-I1307 HydrophobicContact CG2-CD1 4.22Å; I1303-I1307 WeakPolarHBondContact O-CG1 3.22Å; I1303-I1307 PolarHBondContact O-N 2.91Å; V1304-I1307 PolarHBondContact O-N 3.23Å; E1305-I1307 VanDerWaalsContact C-N 3.33Å; E1305-I1307 PolarHBondContact O-N 2.97Å; I1307-T1311 WeakPolarHBondContact O-CB 3.4Å; I1307-T1311 PolarHBondContact O-N 2.86Å; I1307-T1311 PolarHBondContact O-OG1 2.94Å; I1307-V1321 HydrophobicContact CB-CG1 4.48Å; I1307-V1321 HydrophobicContact CG2-CG1 3.93Å; I1307-V1321 HydrophobicContact CG2-CG2 4.34Å
1308A91.2Very high87.8Confident9 Ų949.6 Ų49.67%0.07427%0.267CS..Hα-helixtrans-67.1-46.3-179.100000113.3V1304 E1305 N1310 T1311 V1321 N1325V1304-A1308 WeakPolarHBondContact O-CB 3.32Å; V1304-A1308 PolarHBondContact O-N 3.42Å; E1305-A1308 WeakPolarHBondContact O-CA 3.44Å; E1305-A1308 WeakPolarHBondContact O-CB 3.47Å; E1305-A1308 PolarHBondContact O-N 3.44Å; A1308-N1310 PolarHBondContact O-N 3.28Å; A1308-T1311 PolarHBondContact O-N 3.27Å; A1308-V1321 VanDerWaalsContact CA-CG1 3.49Å; A1308-V1321 HydrophobicContact CB-CG1 3.72Å; A1308-N1325 HydrophobicContact CB-CB 4.29Å
1309T90.9Very high87.3Confident89 Ų8951.6 Ų51.655%0.54628%0.275SS..Hα-helixtrans-63.6-29.9179.153.90000112.7E1305 K1306E1305-T1309 WeakPolarHBondContact O-CG2 3.37Å; E1305-T1309 PolarHBondContact O-N 3.47Å; E1305-T1309 PolarHBondContact O-OG1 2.92Å; K1306-T1309 PolarHBondContact O-OG1 3.47Å
1310N88.8Confident86.7Confident17 Ų1749 Ų499%0.09127%0.265CS..Hα-helixtrans-104.32.3-172.6-61.9-14.2000113.1K1152 E1155 R1156 K1306 A1308K1152-N1310 CarbonylContact C-O 3.31Å; K1152-N1310 WeakPolarHBondContact CB-O 3.27Å; E1155-N1310 HydrophobicContact CB-CB 4.07Å; E1155-N1310 WeakPolarHBondContact CB-ND2 3.13Å; E1155-N1310 VanDerWaalsContact OE2-CG 3.25Å; E1155-N1310 PolarHBondContact OE2-ND2 3.42Å; E1155-N1310 PolarHBondContact OE2-OD1 2.95Å; R1156-N1310 HydrophobicContact CB-CB 4.21Å; K1306-N1310 WeakPolarHBondContact O-CB 3.3Å; K1306-N1310 PolarHBondContact O-N 2.89Å; K1306-N1310 PolarHBondContact O-ND2 3.5Å; A1308-N1310 PolarHBondContact O-N 3.28Å
1311T86.6Confident86.3Confident4 Ų449 Ų493%0.02527%0.265CS..SBendtrans-84.3122.3163.8-59.20000108.5R1156 I1307 A1308 C1315 D1317 Y1318R1156-T1311 PolarHBondContact NH1-OG1 2.75Å; I1307-T1311 WeakPolarHBondContact O-CB 3.4Å; I1307-T1311 PolarHBondContact O-N 2.86Å; I1307-T1311 PolarHBondContact O-OG1 2.94Å; A1308-T1311 PolarHBondContact O-N 3.27Å; T1311-C1315 HydrophobicContact CG2-CB 3.62Å; T1311-D1317 HydrophobicContact CG2-CB 4.44Å; T1311-Y1318 HydrophobicContact CG2-CD2 4.08Å; T1311-Y1318 VanDerWaalsContact O-CD2 3.26Å; T1311-Y1318 WeakPolarHBondContact O-CD2 3.06Å; T1311-Y1318 WeakPolarHBondContact O-CE2 3.28Å
1312H79.9Confident86Confident54 Ų5449.9 Ų49.925%0.2527%0.272CS..  trans-74150.4176.3-169.9-110.6000111.1S1314 C1315H1312-S1314 PolarHBondContact ND1-N 3.43Å; H1312-S1314 PolarHBondContact ND1-OG 3.3Å; H1312-S1314 PolarHBondContact O-N 3.39Å; H1312-S1314 VanDerWaalsContact O-N 3.12Å; H1312-C1315 WeakPolarHBondContact O-CB 3.38Å; H1312-C1315 PolarHBondContact O-N 2.91Å
1313I80.9Confident85.4Confident121 Ų12147.8 Ų47.862%0.62126%0.259SS*.THydrogen-bonded Turntrans-63.1-19.6-177.9-163.3164.5000113.8C1315 Y1318I1313-C1315 VanDerWaalsContact C-N 3.34Å; I1313-Y1318 HydrophobicContact CB-CD1 4.39Å; I1313-Y1318 HydrophobicContact CB-CE1 4.43Å; I1313-Y1318 HydrophobicContact CD1-CE1 4.27Å; I1313-Y1318 HydrophobicContact CG1-CD1 3.91Å; I1313-Y1318 HydrophobicContact CG1-CE1 3.95Å; I1313-Y1318 HydrophobicContact CG1-CG 4.48Å
1314S73.1Confident85.1Confident87 Ų8747.5 Ų47.561%0.60826%0.257SS*.THydrogen-bonded Turntrans-82.3-7.5172.467.70000114.2H1312H1312-S1314 PolarHBondContact ND1-N 3.43Å; H1312-S1314 PolarHBondContact ND1-OG 3.3Å; H1312-S1314 PolarHBondContact O-N 3.39Å; H1312-S1314 VanDerWaalsContact O-N 3.12Å
1315C74.3Confident84.9Confident26 Ų2648.8 Ų48.818%0.17626%0.264CS..SBendtrans-75.1129.1175-172.10000109T1311 H1312 I1313 D1317 Y1318T1311-C1315 HydrophobicContact CG2-CB 3.62Å; H1312-C1315 WeakPolarHBondContact O-CB 3.38Å; H1312-C1315 PolarHBondContact O-N 2.91Å; I1313-C1315 VanDerWaalsContact C-N 3.34Å; C1315-D1317 PolarHBondContact O-N 2.86Å; C1315-Y1318 WeakPolarHBondContact O-CB 3.5Å; C1315-Y1318 PolarHBondContact O-N 3.31Å
1316P75.5Confident84.4Confident112 Ų11249.4 Ų49.473%0.72727%0.269SS*.THydrogen-bonded Turntrans-56.7-16.2176.6-26.135000114.4L1229L1229-P1316 HydrophobicContact CD2-CB 4.47Å
1317D82.7Confident83.9Confident0 Ų047.9 Ų47.90%026%0.264CS..THydrogen-bonded Turntrans-84.4-14.6179.2-151.516.8000114R1156 L1229 I1230 S1231 T1311 C1315 D1319 E1320 V1321R1156-D1317 IonicContact CZ-OD2 3.31Å; R1156-D1317 VanDerWaalsContact CZ-OD2 3.22Å; R1156-D1317 IonicContact NH1-OD2 3.19Å; R1156-D1317 PolarHBondContact NH1-OD2 3Å; R1156-D1317 IonicContact NH2-OD2 3.57Å; R1156-D1317 PolarHBondContact NH2-OD2 3.43Å; L1229-D1317 WeakPolarHBondContact CB-OD1 3.39Å; L1229-D1317 HydrophobicContact CD2-CB 3.81Å; I1230-D1317 VanDerWaalsContact CG2-OD2 3.25Å; I1230-D1317 WeakPolarHBondContact CG2-OD2 3.37Å; S1231-D1317 WeakPolarHBondContact CB-OD1 3.49Å; S1231-D1317 PolarHBondContact N-OD1 2.9Å; S1231-D1317 PolarHBondContact OG-OD1 3.33Å; T1311-D1317 HydrophobicContact CG2-CB 4.44Å; C1315-D1317 PolarHBondContact O-N 2.86Å; D1317-D1319 PolarHBondContact O-N 3.16Å; D1317-E1320 PolarHBondContact O-N 2.99Å; D1317-V1321 HydrophobicContact CB-CG2 4.3Å; D1317-V1321 WeakPolarHBondContact O-CB 3.31Å; D1317-V1321 VanDerWaalsContact O-CG2 3.32Å; D1317-V1321 WeakPolarHBondContact O-CG2 3.43Å; D1317-V1321 PolarHBondContact O-N 3.4Å; D1317-V1321 WeakPolarHBondContact OD2-CG2 3.29Å
1318Y84.4Confident83.7Confident73 Ų7348 Ų4829%0.28626%0.264SS..Hα-helixtrans-56.9-55.7-167.5-178.2-101.9000113T1311 I1313 C1315 E1320 V1321 V1322T1311-Y1318 HydrophobicContact CG2-CD2 4.08Å; T1311-Y1318 VanDerWaalsContact O-CD2 3.26Å; T1311-Y1318 WeakPolarHBondContact O-CD2 3.06Å; T1311-Y1318 WeakPolarHBondContact O-CE2 3.28Å; I1313-Y1318 HydrophobicContact CB-CD1 4.39Å; I1313-Y1318 HydrophobicContact CB-CE1 4.43Å; I1313-Y1318 HydrophobicContact CD1-CE1 4.27Å; I1313-Y1318 HydrophobicContact CG1-CD1 3.91Å; I1313-Y1318 HydrophobicContact CG1-CE1 3.95Å; I1313-Y1318 HydrophobicContact CG1-CG 4.48Å; C1315-Y1318 WeakPolarHBondContact O-CB 3.5Å; C1315-Y1318 PolarHBondContact O-N 3.31Å; Y1318-E1320 VanDerWaalsContact C-N 3.3Å; Y1318-E1320 PolarHBondContact O-N 2.84Å; Y1318-V1321 PolarHBondContact O-N 2.69Å; Y1318-V1322 HydrophobicContact CD1-CG2 4.44Å; Y1318-V1322 HydrophobicContact CE1-CG2 4.09Å; Y1318-V1322 HydrophobicContact CE2-CG2 4.23Å; Y1318-V1322 WeakPolarHBondContact O-CG2 3.25Å; Y1318-V1322 PolarHBondContact O-N 3.37Å
1319D81.2Confident83.4Confident107 Ų10749.6 Ų49.657%0.57228%0.275SS*.Hα-helixtrans-61.9-38.9-178.3-70-24.4000111.9D1317 V1322 K1323D1317-D1319 PolarHBondContact O-N 3.16Å; D1319-V1322 PolarHBondContact O-N 2.87Å; D1319-K1323 VanDerWaalsContact O-CG 3.26Å; D1319-K1323 WeakPolarHBondContact O-CG 3.39Å; D1319-K1323 PolarHBondContact O-N 3.21Å
1320E84.3Confident82.9Confident62 Ų6247.3 Ų47.329%0.2926%0.261SS..Hα-helixtrans-71.9-39.4179.2-62.3-57.2143.500111.8S1231 D1317 Y1318 V1322 K1323 V1324S1231-E1320 VanDerWaalsContact CB-CB 3.45Å; S1231-E1320 WeakPolarHBondContact OG-CB 3.39Å; D1317-E1320 PolarHBondContact O-N 2.99Å; Y1318-E1320 VanDerWaalsContact C-N 3.3Å; Y1318-E1320 PolarHBondContact O-N 2.84Å; E1320-V1322 VanDerWaalsContact C-N 3.33Å; E1320-V1322 PolarHBondContact O-N 2.85Å; E1320-K1323 WeakPolarHBondContact O-CB 3.45Å; E1320-K1323 PolarHBondContact O-N 2.81Å; E1320-K1323 IonicContact OE1-NZ 3.13Å; E1320-K1323 PolarHBondContact OE1-NZ 2.79Å; E1320-K1323 IonicContact OE2-NZ 2.66Å; E1320-V1324 WeakPolarHBondContact O-CB 3.34Å; E1320-V1324 VanDerWaalsContact O-CG2 3.23Å; E1320-V1324 WeakPolarHBondContact O-CG2 3.41Å; E1320-V1324 PolarHBondContact O-N 3.19Å
1321V86.3Confident82.6Confident1 Ų147.1 Ų47.11%0.00626%0.26CS..Hα-helixtrans-64.8-37172.6174.90000111.3I1230 I1307 A1308 D1317 Y1318 V1324 N1325I1230-V1321 HydrophobicContact CG2-CG2 4.49Å; I1307-V1321 HydrophobicContact CB-CG1 4.48Å; I1307-V1321 HydrophobicContact CG2-CG1 3.93Å; I1307-V1321 HydrophobicContact CG2-CG2 4.34Å; A1308-V1321 VanDerWaalsContact CA-CG1 3.49Å; A1308-V1321 HydrophobicContact CB-CG1 3.72Å; D1317-V1321 HydrophobicContact CB-CG2 4.3Å; D1317-V1321 WeakPolarHBondContact O-CB 3.31Å; D1317-V1321 VanDerWaalsContact O-CG2 3.32Å; D1317-V1321 WeakPolarHBondContact O-CG2 3.43Å; D1317-V1321 PolarHBondContact O-N 3.4Å; D1317-V1321 WeakPolarHBondContact OD2-CG2 3.29Å; Y1318-V1321 PolarHBondContact O-N 2.69Å; V1321-V1324 WeakPolarHBondContact O-CB 3.46Å; V1321-V1324 PolarHBondContact O-N 2.87Å; V1321-N1325 WeakPolarHBondContact O-CB 3.36Å; V1321-N1325 PolarHBondContact O-N 3.47Å
1322V85.6Confident82.6Confident46 Ų4648.6 Ų48.628%0.27927%0.267SS..Hα-helixtrans-65-41173.8170.80000111Y1318 D1319 E1320 N1325 N1326Y1318-V1322 HydrophobicContact CD1-CG2 4.44Å; Y1318-V1322 HydrophobicContact CE1-CG2 4.09Å; Y1318-V1322 HydrophobicContact CE2-CG2 4.23Å; Y1318-V1322 WeakPolarHBondContact O-CG2 3.25Å; Y1318-V1322 PolarHBondContact O-N 3.37Å; D1319-V1322 PolarHBondContact O-N 2.87Å; E1320-V1322 VanDerWaalsContact C-N 3.33Å; E1320-V1322 PolarHBondContact O-N 2.85Å; V1322-N1325 PolarHBondContact O-N 3.5Å; V1322-N1326 PolarHBondContact O-N 2.79Å; V1322-N1326 PolarHBondContact O-ND2 2.82Å
1323K81.5Confident82.6Confident66 Ų6649.8 Ų49.829%0.28727%0.272SS..Hα-helixtrans-61.7-44172.1-68.6168-162169.50112.2D1319 E1320 N1325 N1326 L1327 E1539D1319-K1323 VanDerWaalsContact O-CG 3.26Å; D1319-K1323 WeakPolarHBondContact O-CG 3.39Å; D1319-K1323 PolarHBondContact O-N 3.21Å; E1320-K1323 WeakPolarHBondContact O-CB 3.45Å; E1320-K1323 PolarHBondContact O-N 2.81Å; E1320-K1323 IonicContact OE1-NZ 3.13Å; E1320-K1323 PolarHBondContact OE1-NZ 2.79Å; E1320-K1323 IonicContact OE2-NZ 2.66Å; K1323-N1325 VanDerWaalsContact C-N 3.33Å; K1323-N1325 PolarHBondContact O-N 3.32Å; K1323-N1326 PolarHBondContact O-N 3.21Å; K1323-L1327 WeakPolarHBondContact O-CB 3.22Å; K1323-L1327 WeakPolarHBondContact O-CG 3.45Å; K1323-L1327 PolarHBondContact O-N 2.82Å; K1323-E1539 HydrophobicContact CB-CG 4.29Å; K1323-E1539 HydrophobicContact CG-CG 4.46Å; K1323-E1539 WeakPolarHBondContact CG-OE1 3.3Å
1324V87.4Confident82.4Confident0 Ų044.5 Ų44.50%025%0.245CC..Hα-helixtrans-56.6-45.9173.9166.40000111.1L1234 L1235 I1238 V1304 E1320 V1321 L1327 M1328L1234-V1324 HydrophobicContact CB-CB 4.48Å; L1234-V1324 HydrophobicContact CB-CG1 3.57Å; L1234-V1324 HydrophobicContact CB-CG2 3.96Å; L1234-V1324 HydrophobicContact CD1-CG1 3.93Å; L1234-V1324 HydrophobicContact CG-CG1 4.28Å; L1235-V1324 HydrophobicContact CB-CG2 4.49Å; L1235-V1324 HydrophobicContact CD1-CG2 4.42Å; L1235-V1324 HydrophobicContact CD2-CG2 3.53Å; L1235-V1324 HydrophobicContact CG-CG2 3.47Å; L1235-V1324 VanDerWaalsContact CG-CG2 3.47Å; I1238-V1324 HydrophobicContact CD1-CB 4.38Å; I1238-V1324 HydrophobicContact CD1-CG1 3.62Å; V1304-V1324 HydrophobicContact CG1-CG1 3.7Å; V1304-V1324 HydrophobicContact CG2-CG1 4.18Å; E1320-V1324 WeakPolarHBondContact O-CB 3.34Å; E1320-V1324 VanDerWaalsContact O-CG2 3.23Å; E1320-V1324 WeakPolarHBondContact O-CG2 3.41Å; E1320-V1324 PolarHBondContact O-N 3.19Å; V1321-V1324 WeakPolarHBondContact O-CB 3.46Å; V1321-V1324 PolarHBondContact O-N 2.87Å; V1324-L1327 PolarHBondContact O-N 2.84Å; V1324-M1328 WeakPolarHBondContact O-CB 3.37Å; V1324-M1328 PolarHBondContact O-N 3.1Å
1325N89.5Confident82.9Confident28 Ų2840.5 Ų40.515%0.1522%0.217CC..Hα-helixtrans-63.6-42.8178.1-171.121.3000112.3K1301 V1304 E1305 A1308 V1321 V1322 K1323 M1328 S1329K1301-N1325 PolarHBondContact NZ-OD1 2.79Å; V1304-N1325 VanDerWaalsContact CG1-CA 3.49Å; V1304-N1325 HydrophobicContact CG1-CB 3.77Å; E1305-N1325 WeakPolarHBondContact CG-OD1 3.43Å; A1308-N1325 HydrophobicContact CB-CB 4.29Å; V1321-N1325 WeakPolarHBondContact O-CB 3.36Å; V1321-N1325 PolarHBondContact O-N 3.47Å; V1322-N1325 PolarHBondContact O-N 3.5Å; K1323-N1325 VanDerWaalsContact C-N 3.33Å; K1323-N1325 PolarHBondContact O-N 3.32Å; N1325-M1328 PolarHBondContact O-N 2.79Å; N1325-S1329 PolarHBondContact O-N 2.8Å; N1325-S1329 PolarHBondContact O-OG 2.95Å
1326N83.1Confident83.3Confident83 Ų8343.4 Ų43.444%0.44423%0.231SC..Hα-helixtrans-64.4-45.2175.5-70.9-29000111.8V1322 K1323 M1328 S1329 V1330V1322-N1326 PolarHBondContact O-N 2.79Å; V1322-N1326 PolarHBondContact O-ND2 2.82Å; K1323-N1326 PolarHBondContact O-N 3.21Å; N1326-M1328 VanDerWaalsContact C-N 3.32Å; N1326-M1328 PolarHBondContact O-N 3.36Å; N1326-S1329 WeakPolarHBondContact O-CB 3.49Å; N1326-S1329 PolarHBondContact O-N 2.83Å; N1326-V1330 WeakPolarHBondContact O-CG2 3.3Å; N1326-V1330 PolarHBondContact O-N 2.8Å
1327L81.7Confident83.1Confident21 Ų2140.9 Ų40.911%0.1121%0.211CC..Hα-helixtrans-58.6-41.5174.4-82164.2000112.2L1235 I1238 K1323 V1324 V1330 L1331 E1539L1235-L1327 HydrophobicContact CD2-CD1 3.46Å; L1235-L1327 VanDerWaalsContact CD2-CD1 3.46Å; I1238-L1327 HydrophobicContact CG2-CB 4.08Å; K1323-L1327 WeakPolarHBondContact O-CB 3.22Å; K1323-L1327 WeakPolarHBondContact O-CG 3.45Å; K1323-L1327 PolarHBondContact O-N 2.82Å; V1324-L1327 PolarHBondContact O-N 2.84Å; L1327-V1330 PolarHBondContact O-N 3.18Å; L1327-L1331 WeakPolarHBondContact O-CB 3.45Å; L1327-L1331 PolarHBondContact O-N 3.11Å; L1327-E1539 HydrophobicContact CD1-CB 4.4Å; L1327-E1539 HydrophobicContact CD1-CG 4.16Å; L1327-E1539 HydrophobicContact CD2-CB 3.62Å; L1327-E1539 HydrophobicContact CD2-CG 4.27Å; L1327-E1539 HydrophobicContact CG-CB 3.76Å; L1327-E1539 HydrophobicContact CG-CG 3.88Å
1328M88.9Confident82.4Confident1 Ų141.4 Ų41.41%0.00522%0.216CC..Hα-helixtrans-64.1-40.2176.3-169.862.670.100112I1238 F1241 I1297 Y1300 K1301 V1304 V1324 N1325 N1326 V1330 L1331 L1332I1238-M1328 HydrophobicContact CD1-CB 4.48Å; I1238-M1328 HydrophobicContact CD1-CE 3.7Å; I1238-M1328 HydrophobicContact CG1-CE 3.62Å; F1241-M1328 HydrophobicContact CD2-CE 4.13Å; F1241-M1328 HydrophobicContact CE2-CE 4.01Å; I1297-M1328 HydrophobicContact CD1-SD 4.45Å; Y1300-M1328 HydrophobicContact CG-CE 4.37Å; K1301-M1328 HydrophobicContact CB-CG 3.88Å; K1301-M1328 HydrophobicContact CD-CB 4.16Å; K1301-M1328 HydrophobicContact CD-CG 3.83Å; K1301-M1328 HydrophobicContact CG-CG 4.48Å; V1304-M1328 HydrophobicContact CG2-CE 4.38Å; V1324-M1328 WeakPolarHBondContact O-CB 3.37Å; V1324-M1328 PolarHBondContact O-N 3.1Å; N1325-M1328 PolarHBondContact O-N 2.79Å; N1326-M1328 VanDerWaalsContact C-N 3.32Å; N1326-M1328 PolarHBondContact O-N 3.36Å; M1328-V1330 PolarHBondContact O-N 3.43Å; M1328-L1331 PolarHBondContact O-N 2.82Å; M1328-L1331 HydrophobicContact SD-CD2 4.46Å; M1328-L1332 PolarHBondContact O-N 2.82Å
1329S85.2Confident82Confident43 Ų4341.3 Ų41.330%0.30122%0.22SC..Hα-helixtrans-57.3-47.5172-52.80000111.7K1301 N1325 N1326 K1333K1301-S1329 VanDerWaalsContact CE-OG 3.24Å; K1301-S1329 WeakPolarHBondContact CE-OG 3.47Å; K1301-S1329 PolarHBondContact NZ-OG 2.87Å; N1325-S1329 PolarHBondContact O-N 2.8Å; N1325-S1329 PolarHBondContact O-OG 2.95Å; N1326-S1329 WeakPolarHBondContact O-CB 3.49Å; N1326-S1329 PolarHBondContact O-N 2.83Å; S1329-K1333 WeakPolarHBondContact O-CB 3.25Å; S1329-K1333 PolarHBondContact O-N 2.86Å
1330V79.3Confident81.2Confident42 Ų4237.3 Ų37.326%0.25520%0.203SC..Hα-helixtrans-71.3-37.1-177.6-174.70000111.4N1326 L1327 M1328 K1333 S1334 L1540 L1543N1326-V1330 WeakPolarHBondContact O-CG2 3.3Å; N1326-V1330 PolarHBondContact O-N 2.8Å; L1327-V1330 PolarHBondContact O-N 3.18Å; M1328-V1330 PolarHBondContact O-N 3.43Å; V1330-K1333 PolarHBondContact O-N 3.21Å; V1330-S1334 WeakPolarHBondContact O-CB 3.49Å; V1330-S1334 PolarHBondContact O-N 2.9Å; V1330-L1540 HydrophobicContact CG1-CD2 3.99Å; V1330-L1540 HydrophobicContact CG2-CD2 4.28Å; V1330-L1543 HydrophobicContact CB-CD2 4.39Å; V1330-L1543 HydrophobicContact CG1-CD2 3.31Å
1331L82.7Confident79.8Confident13 Ų1336.3 Ų36.37%0.06820%0.203CC..Hα-helixtrans-61.6-50.7174177.461.9000111.1I1238 F1241 I1297 L1327 M1328 K1333 S1334 I1335I1238-L1331 HydrophobicContact CG2-CD2 4.48Å; F1241-L1331 HydrophobicContact CB-CD2 3.6Å; F1241-L1331 HydrophobicContact CD2-CD2 4.33Å; I1297-L1331 HydrophobicContact CD1-CD2 3.98Å; L1327-L1331 WeakPolarHBondContact O-CB 3.45Å; L1327-L1331 PolarHBondContact O-N 3.11Å; M1328-L1331 PolarHBondContact O-N 2.82Å; M1328-L1331 HydrophobicContact SD-CD2 4.46Å; L1331-K1333 VanDerWaalsContact C-N 3.31Å; L1331-K1333 PolarHBondContact O-N 2.88Å; L1331-S1334 PolarHBondContact O-N 3.36Å; L1331-S1334 VanDerWaalsContact O-N 3.16Å; L1331-I1335 HydrophobicContact CD1-CD1 4.22Å; L1331-I1335 HydrophobicContact CD1-CG1 4.47Å; L1331-I1335 HydrophobicContact CG-CD1 4.14Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.27Å; L1331-I1335 PolarHBondContact O-N 2.95Å
1332L87.5Confident78.2Confident34 Ų3443.2 Ų43.218%0.17823%0.233CC..Hα-helixtrans-60.3-41.1176.4-82.8-177.7000112I1297 T1298 K1301 M1328 S1334 I1335 D1336I1297-L1332 HydrophobicContact CB-CD2 4.49Å; I1297-L1332 HydrophobicContact CG1-CD2 3.96Å; I1297-L1332 HydrophobicContact CG2-CD2 4.18Å; T1298-L1332 HydrophobicContact CG2-CD2 4.04Å; K1301-L1332 HydrophobicContact CB-CD1 3.48Å; K1301-L1332 VanDerWaalsContact CB-CD1 3.48Å; K1301-L1332 HydrophobicContact CD-CD1 4.3Å; K1301-L1332 HydrophobicContact CG-CD1 3.84Å; M1328-L1332 PolarHBondContact O-N 2.82Å; L1332-S1334 VanDerWaalsContact C-N 3.32Å; L1332-S1334 PolarHBondContact O-N 3.46Å; L1332-I1335 WeakPolarHBondContact O-CB 3.08Å; L1332-I1335 PolarHBondContact O-N 2.79Å; L1332-I1335 VanDerWaalsContact O-N 3.15Å; L1332-D1336 WeakPolarHBondContact O-CB 3.06Å; L1332-D1336 PolarHBondContact O-N 2.85Å
1333K79.2Confident76.9Confident80 Ų8043.4 Ų43.435%0.34823%0.232SC..Hα-helixtrans-64.6-37.8176.3-17458.8-166.31460112.1S1329 V1330 L1331 I1335 D1336 D1337S1329-K1333 WeakPolarHBondContact O-CB 3.25Å; S1329-K1333 PolarHBondContact O-N 2.86Å; V1330-K1333 PolarHBondContact O-N 3.21Å; L1331-K1333 VanDerWaalsContact C-N 3.31Å; L1331-K1333 PolarHBondContact O-N 2.88Å; K1333-I1335 VanDerWaalsContact C-N 3.29Å; K1333-I1335 PolarHBondContact O-N 3.35Å; K1333-D1336 IonicContact NZ-OD2 2.79Å; K1333-D1336 PolarHBondContact NZ-OD2 2.8Å; K1333-D1336 PolarHBondContact O-N 3.42Å; K1333-D1337 VanDerWaalsContact CE-OD1 3.25Å; K1333-D1337 WeakPolarHBondContact CE-OD1 3.3Å; K1333-D1337 VanDerWaalsContact CE-OD2 3.25Å; K1333-D1337 WeakPolarHBondContact CE-OD2 3.23Å; K1333-D1337 IonicContact NZ-OD1 2.84Å; K1333-D1337 PolarHBondContact NZ-OD1 2.79Å; K1333-D1337 IonicContact NZ-OD2 3.72Å; K1333-D1337 WeakPolarHBondContact O-CB 3.44Å; K1333-D1337 PolarHBondContact O-N 3.36Å
1334S77.9Confident76.2Confident9 Ų940.8 Ų40.86%0.06322%0.222CC..Hα-helixtrans-69.2-23.3174.2-1740000114R1245 V1330 L1331 L1332 A1338R1245-S1334 PolarHBondContact NE-O 3.37Å; V1330-S1334 WeakPolarHBondContact O-CB 3.49Å; V1330-S1334 PolarHBondContact O-N 2.9Å; L1331-S1334 PolarHBondContact O-N 3.36Å; L1331-S1334 VanDerWaalsContact O-N 3.16Å; L1332-S1334 VanDerWaalsContact C-N 3.32Å; L1332-S1334 PolarHBondContact O-N 3.46Å; S1334-A1338 VanDerWaalsContact O-CB 3.32Å; S1334-A1338 WeakPolarHBondContact O-CB 3.33Å; S1334-A1338 PolarHBondContact O-N 3.11Å
1335I83.5Confident75.5Confident4 Ų443.3 Ų43.32%0.02124%0.238CC..Hα-helixtrans-77.8-50.1171.7-69173000109.8R1245 C1248 I1297 L1331 L1332 K1333 D1337 A1338 I1339R1245-I1335 HydrophobicContact CB-CD1 4.32Å; R1245-I1335 HydrophobicContact CB-CG1 3.71Å; R1245-I1335 HydrophobicContact CG-CG1 3.95Å; C1248-I1335 HydrophobicContact CB-CG2 3.77Å; I1297-I1335 HydrophobicContact CD1-CD1 4.41Å; I1297-I1335 HydrophobicContact CG1-CD1 3.61Å; L1331-I1335 HydrophobicContact CD1-CD1 4.22Å; L1331-I1335 HydrophobicContact CD1-CG1 4.47Å; L1331-I1335 HydrophobicContact CG-CD1 4.14Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.27Å; L1331-I1335 PolarHBondContact O-N 2.95Å; L1332-I1335 WeakPolarHBondContact O-CB 3.08Å; L1332-I1335 PolarHBondContact O-N 2.79Å; L1332-I1335 VanDerWaalsContact O-N 3.15Å; K1333-I1335 VanDerWaalsContact C-N 3.29Å; K1333-I1335 PolarHBondContact O-N 3.35Å; I1335-D1337 PolarHBondContact O-N 3.26Å; I1335-A1338 CarbonylContact O-C 3.52Å; I1335-A1338 WeakPolarHBondContact O-CA 3.01Å; I1335-A1338 PolarHBondContact O-N 2.89Å; I1335-I1339 HydrophobicContact CG2-CD1 3.61Å; I1335-I1339 HydrophobicContact CG2-CG1 4.3Å; I1335-I1339 VanDerWaalsContact O-CG1 3.32Å; I1335-I1339 WeakPolarHBondContact O-CG1 3.06Å; I1335-I1339 PolarHBondContact O-N 2.83Å
1336D81.6Confident74.6Confident87 Ų8746.1 Ų46.147%0.46525%0.253SS..Hα-helixtrans-53.8-50.2174.6173.660.6000112L1332 K1333 A1338 I1339 G1340L1332-D1336 WeakPolarHBondContact O-CB 3.06Å; L1332-D1336 PolarHBondContact O-N 2.85Å; K1333-D1336 IonicContact NZ-OD2 2.79Å; K1333-D1336 PolarHBondContact NZ-OD2 2.8Å; K1333-D1336 PolarHBondContact O-N 3.42Å; D1336-A1338 PolarHBondContact O-N 2.83Å; D1336-I1339 PolarHBondContact O-N 3.22Å; D1336-G1340 PolarHBondContact O-N 3.32Å
1337D70.6Confident74.4Confident58 Ų5844.2 Ų44.231%0.3124%0.24SC..Hα-helixtrans-62-27.2176.4-74.7-34.8000113.4K1333 I1335 R1347K1333-D1337 VanDerWaalsContact CE-OD1 3.25Å; K1333-D1337 WeakPolarHBondContact CE-OD1 3.3Å; K1333-D1337 VanDerWaalsContact CE-OD2 3.25Å; K1333-D1337 WeakPolarHBondContact CE-OD2 3.23Å; K1333-D1337 IonicContact NZ-OD1 2.84Å; K1333-D1337 PolarHBondContact NZ-OD1 2.79Å; K1333-D1337 IonicContact NZ-OD2 3.72Å; K1333-D1337 WeakPolarHBondContact O-CB 3.44Å; K1333-D1337 PolarHBondContact O-N 3.36Å; I1335-D1337 PolarHBondContact O-N 3.26Å; D1337-R1347 IonicContact OD1-NH1 3.73Å
1338A69.9Low74.5Confident11 Ų1143.6 Ų43.69%0.09124%0.236CC..Hα-helixtrans-87.4-29.4178.300000113.4R1245 I1249 S1334 I1335 D1336 S1341R1245-A1338 HydrophobicContact CG-CB 4.43Å; I1249-A1338 HydrophobicContact CD1-CB 3.72Å; I1249-A1338 HydrophobicContact CG1-CB 3.74Å; S1334-A1338 VanDerWaalsContact O-CB 3.32Å; S1334-A1338 WeakPolarHBondContact O-CB 3.33Å; S1334-A1338 PolarHBondContact O-N 3.11Å; I1335-A1338 CarbonylContact O-C 3.52Å; I1335-A1338 WeakPolarHBondContact O-CA 3.01Å; I1335-A1338 PolarHBondContact O-N 2.89Å; D1336-A1338 PolarHBondContact O-N 2.83Å; A1338-S1341 WeakPolarHBondContact O-CB 3.44Å; A1338-S1341 PolarHBondContact O-N 2.76Å
1339I74.2Confident74.2Confident72 Ų7246.6 Ų46.637%0.36925%0.252SS..Hα-helixtrans-71.2-39.9168.6-61.4155.9000109.7C1248 M1294 I1335 D1336 S1341C1248-I1339 HydrophobicContact CB-CD1 4.08Å; C1248-I1339 HydrophobicContact CB-CG1 4.19Å; M1294-I1339 HydrophobicContact CE-CD1 3.56Å; M1294-I1339 HydrophobicContact CE-CG1 4.29Å; M1294-I1339 HydrophobicContact SD-CD1 3.86Å; I1335-I1339 HydrophobicContact CG2-CD1 3.61Å; I1335-I1339 HydrophobicContact CG2-CG1 4.3Å; I1335-I1339 VanDerWaalsContact O-CG1 3.32Å; I1335-I1339 WeakPolarHBondContact O-CG1 3.06Å; I1335-I1339 PolarHBondContact O-N 2.83Å; D1336-I1339 PolarHBondContact O-N 3.22Å; I1339-S1341 PolarHBondContact O-N 2.84Å
1340G64.3Low74.2Confident22 Ų2245 Ų4523%0.22724%0.24CC..G310 helixtrans-61.64.7170.500000114.3D1336 K1342 D1343D1336-G1340 PolarHBondContact O-N 3.32Å; G1340-K1342 PolarHBondContact O-N 3.27Å; G1340-D1343 WeakPolarHBondContact O-CB 3.49Å; G1340-D1343 PolarHBondContact O-N 2.78Å
1341S56.8Low74.7Confident42 Ų4243.1 Ų43.129%0.29423%0.228SC..G310 helixtrans-62.51.7174.9-177.20000114.7A1338 I1339 N1344A1338-S1341 WeakPolarHBondContact O-CB 3.44Å; A1338-S1341 PolarHBondContact O-N 2.76Å; I1339-S1341 PolarHBondContact O-N 2.84Å; S1341-N1344 WeakPolarHBondContact O-CB 3.27Å; S1341-N1344 PolarHBondContact O-N 3.28Å; S1341-N1344 WeakPolarHBondContact OG-CB 3.16Å; S1341-N1344 PolarHBondContact OG-ND2 3.35Å
1342K52.4Low75Confident146 Ų14646.5 Ų46.564%0.63524%0.24SC*.G310 helixtrans-62.9-31.4157.9-78.9-170.9175.7-176.10112.3G1340 N1344 P1345G1340-K1342 PolarHBondContact O-N 3.27Å; K1342-N1344 PolarHBondContact O-N 2.81Å; K1342-P1345 WeakPolarHBondContact O-CD 3.33Å
1343D58.4Low74.9Confident49 Ų4948.9 Ų48.926%0.26226%0.26SS..G310 helixtrans-78.5-4169.5-61.5-33.7000112.2G1340 N1346 R1347G1340-D1343 WeakPolarHBondContact O-CB 3.49Å; G1340-D1343 PolarHBondContact O-N 2.78Å; D1343-N1346 CarbonylContact O-C 3.49Å; D1343-N1346 WeakPolarHBondContact O-CA 3.26Å; D1343-N1346 WeakPolarHBondContact O-CB 3.19Å; D1343-N1346 PolarHBondContact O-N 2.83Å; D1343-N1346 VanDerWaalsContact O-N 3.08Å; D1343-R1347 HydrophobicContact CB-CG 4.15Å; D1343-R1347 WeakPolarHBondContact O-CB 3.45Å; D1343-R1347 WeakPolarHBondContact O-CG 3.32Å; D1343-R1347 PolarHBondContact O-N 2.85Å; D1343-R1347 IonicContact OD2-NE 2.66Å; D1343-R1347 IonicContact OD2-NH2 2.82Å; D1343-R1347 PolarHBondContact OD2-NH2 3.08Å
1344N65.7Low75.4Confident12 Ų1247.1 Ų47.16%0.06425%0.251CS..Hα-helixtrans-60-44.4-174.2-148.8-5000112.1S1341 K1342 N1346 R1347 I1348 C1379 L1380S1341-N1344 WeakPolarHBondContact O-CB 3.27Å; S1341-N1344 PolarHBondContact O-N 3.28Å; S1341-N1344 WeakPolarHBondContact OG-CB 3.16Å; S1341-N1344 PolarHBondContact OG-ND2 3.35Å; K1342-N1344 PolarHBondContact O-N 2.81Å; N1344-N1346 VanDerWaalsContact C-N 3.35Å; N1344-N1346 PolarHBondContact O-N 3.35Å; N1344-R1347 PolarHBondContact O-N 2.9Å; N1344-I1348 VanDerWaalsContact O-CB 3.25Å; N1344-I1348 WeakPolarHBondContact O-CB 3.4Å; N1344-I1348 WeakPolarHBondContact O-CG1 3.08Å; N1344-I1348 PolarHBondContact O-N 2.78Å; N1344-I1348 VanDerWaalsContact OD1-CD1 3.23Å; N1344-I1348 WeakPolarHBondContact OD1-CD1 3.45Å; N1344-I1348 WeakPolarHBondContact OD1-CG1 3.18Å; N1344-C1379 PolarHBondContact ND2-SG 2.76Å; N1344-C1379 VanDerWaalsContact ND2-SG 3.4Å; N1344-L1380 PolarHBondContact ND2-N 2.85Å; N1344-L1380 VanDerWaalsContact OD1-CB 3.22Å; N1344-L1380 WeakPolarHBondContact OD1-CB 3.4Å; N1344-L1380 PolarHBondContact OD1-N 2.76Å
1345P72.1Confident76Confident53 Ų5347.3 Ų47.334%0.34425%0.251SS..Hα-helixtrans-54.5-49.9170.6-24.135.3000111.7K1342 R1347 I1348 D1349K1342-P1345 WeakPolarHBondContact O-CD 3.33Å; P1345-R1347 PolarHBondContact O-N 3.13Å; P1345-I1348 PolarHBondContact O-N 3.35Å; P1345-D1349 WeakPolarHBondContact O-CB 3.1Å; P1345-D1349 PolarHBondContact O-N 2.81Å
1346N71.6Confident76.2Confident87 Ų8751.4 Ų51.447%0.46527%0.272SS..Hα-helixtrans-61.2-39.6178.6-63.1-25.2000113.3D1343 N1344 W1350D1343-N1346 CarbonylContact O-C 3.49Å; D1343-N1346 WeakPolarHBondContact O-CA 3.26Å; D1343-N1346 WeakPolarHBondContact O-CB 3.19Å; D1343-N1346 PolarHBondContact O-N 2.83Å; D1343-N1346 VanDerWaalsContact O-N 3.08Å; N1344-N1346 VanDerWaalsContact C-N 3.35Å; N1344-N1346 PolarHBondContact O-N 3.35Å; N1346-W1350 WeakPolarHBondContact O-CB 3.36Å; N1346-W1350 PolarHBondContact O-N 2.7Å
1347R77.9Confident76.4Confident43 Ų4350.3 Ų50.316%0.16228%0.281CS..Hα-helixtrans-71.9-37.3178.5-71.9176.9-164.7-166.96.5111.4D1337 D1343 N1344 P1345 F1351 F1420D1337-R1347 IonicContact OD1-NH1 3.73Å; D1343-R1347 HydrophobicContact CB-CG 4.15Å; D1343-R1347 WeakPolarHBondContact O-CB 3.45Å; D1343-R1347 WeakPolarHBondContact O-CG 3.32Å; D1343-R1347 PolarHBondContact O-N 2.85Å; D1343-R1347 IonicContact OD2-NE 2.66Å; D1343-R1347 IonicContact OD2-NH2 2.82Å; D1343-R1347 PolarHBondContact OD2-NH2 3.08Å; N1344-R1347 PolarHBondContact O-N 2.9Å; P1345-R1347 PolarHBondContact O-N 3.13Å; R1347-F1351 VanDerWaalsContact O-CB 3.22Å; R1347-F1351 WeakPolarHBondContact O-CB 3.24Å; R1347-F1351 PolarHBondContact O-N 2.95Å; R1347-F1420 HydrophobicContact CB-CD1 4.07Å; R1347-F1420 HydrophobicContact CB-CE1 3.71Å; R1347-F1420 HydrophobicContact CB-CZ 3.98Å; R1347-F1420 HydrophobicContact CG-CD1 3.87Å; R1347-F1420 HydrophobicContact CG-CD2 4.43Å; R1347-F1420 HydrophobicContact CG-CE1 4.04Å; R1347-F1420 HydrophobicContact CG-CG 4.08Å; R1347-F1420 HydrophobicContact CG-CZ 4.39Å
1348I85Confident77.1Confident7 Ų748.4 Ų48.44%0.03627%0.274CS..Hα-helixtrans-71.9-45.2177.5-66.9172.5000110N1344 P1345 F1351 R1352 L1366 P1378 L1380 F1400N1344-I1348 VanDerWaalsContact O-CB 3.25Å; N1344-I1348 WeakPolarHBondContact O-CB 3.4Å; N1344-I1348 WeakPolarHBondContact O-CG1 3.08Å; N1344-I1348 PolarHBondContact O-N 2.78Å; N1344-I1348 VanDerWaalsContact OD1-CD1 3.23Å; N1344-I1348 WeakPolarHBondContact OD1-CD1 3.45Å; N1344-I1348 WeakPolarHBondContact OD1-CG1 3.18Å; P1345-I1348 PolarHBondContact O-N 3.35Å; I1348-F1351 PolarHBondContact O-N 2.74Å; I1348-R1352 VanDerWaalsContact O-CB 3.25Å; I1348-R1352 WeakPolarHBondContact O-CB 3.18Å; I1348-R1352 PolarHBondContact O-N 3.3Å; I1348-L1366 HydrophobicContact CG2-CB 3.98Å; I1348-L1366 HydrophobicContact CG2-CD2 3.96Å; I1348-L1366 WeakPolarHBondContact CG2-O 3.31Å; I1348-P1378 HydrophobicContact CD1-CB 4.3Å; I1348-P1378 WeakPolarHBondContact CD1-O 3.34Å; I1348-L1380 HydrophobicContact CG1-CB 4.4Å; I1348-F1400 HydrophobicContact CD1-CE1 4Å; I1348-F1400 HydrophobicContact CG1-CE1 3.85Å; I1348-F1400 HydrophobicContact CG2-CE1 4.32Å
1349D82.7Confident78Confident64 Ų6452.5 Ų52.534%0.34229%0.294SS..Hα-helixtrans-66.1-39.4174.5-74.8-33.5000111.6P1345 F1351 R1352 S1353 S1367P1345-D1349 WeakPolarHBondContact O-CB 3.1Å; P1345-D1349 PolarHBondContact O-N 2.81Å; D1349-F1351 PolarHBondContact O-N 2.71Å; D1349-R1352 PolarHBondContact O-N 3.44Å; D1349-S1353 WeakPolarHBondContact O-CB 3.32Å; D1349-S1353 PolarHBondContact O-N 3.47Å; D1349-S1367 PolarHBondContact OD1-OG 2.94Å
1350W85.1Confident78.5Confident11 Ų1156.5 Ų56.54%0.04231%0.309CS..Hα-helixtrans-63.1-39.7172.9179.592.7000112.4N1346 S1353 R1354 F1418 F1420 P1421 L1426 W1431 F1433N1346-W1350 WeakPolarHBondContact O-CB 3.36Å; N1346-W1350 PolarHBondContact O-N 2.7Å; W1350-S1353 PolarHBondContact O-OG 3.47Å; W1350-R1354 WeakPolarHBondContact O-CB 3.24Å; W1350-R1354 WeakPolarHBondContact O-CD 3.48Å; W1350-R1354 WeakPolarHBondContact O-CG 3.22Å; W1350-R1354 PolarHBondContact O-N 2.77Å; W1350-F1418 HydrophobicContact CZ3-CZ 4.4Å; W1350-F1420 AromaticContact CE3-CD1 3.88Å; W1350-F1420 HydrophobicContact CE3-CD1 3.88Å; W1350-F1420 AromaticContact CE3-CE1 3.82Å; W1350-F1420 HydrophobicContact CE3-CE1 3.82Å; W1350-F1420 AromaticContact CZ3-CD1 3.97Å; W1350-F1420 HydrophobicContact CZ3-CD1 3.97Å; W1350-F1420 AromaticContact CZ3-CE1 4Å; W1350-F1420 HydrophobicContact CZ3-CE1 4Å; W1350-P1421 HydrophobicContact CH2-CG 4.12Å; W1350-P1421 HydrophobicContact CZ2-CG 3.66Å; W1350-L1426 HydrophobicContact CB-CD2 4.48Å; W1350-L1426 VanDerWaalsContact CD1-CD2 3.45Å; W1350-L1426 HydrophobicContact CD2-CD2 4.03Å; W1350-L1426 HydrophobicContact CG-CD2 3.77Å; W1350-L1426 PolarHBondContact NE1-O 2.97Å; W1350-W1431 HydrophobicContact CH2-CE3 4.15Å; W1350-F1433 AromaticContact CH2-CE2 3.61Å; W1350-F1433 HydrophobicContact CH2-CE2 3.61Å; W1350-F1433 AromaticContact CH2-CZ 3.84Å; W1350-F1433 HydrophobicContact CH2-CZ 3.84Å; W1350-F1433 AromaticContact CZ3-CE2 3.51Å; W1350-F1433 HydrophobicContact CZ3-CE2 3.51Å; W1350-F1433 AromaticContact CZ3-CZ 3.89Å; W1350-F1433 HydrophobicContact CZ3-CZ 3.89Å
1351F88.5Confident79.8Confident1 Ų160.9 Ų60.90%0.00432%0.318CS..Hα-helixtrans-67.4-47.4173.8172.7-112.1000111.1R1347 I1348 D1349 S1353 R1354 L1355 L1366 F1398 F1400 I1405 T1407 F1433R1347-F1351 VanDerWaalsContact O-CB 3.22Å; R1347-F1351 WeakPolarHBondContact O-CB 3.24Å; R1347-F1351 PolarHBondContact O-N 2.95Å; I1348-F1351 PolarHBondContact O-N 2.74Å; D1349-F1351 PolarHBondContact O-N 2.71Å; F1351-S1353 VanDerWaalsContact C-N 3.34Å; F1351-S1353 PolarHBondContact O-N 2.85Å; F1351-R1354 CarbonylContact O-C 3.49Å; F1351-R1354 PolarHBondContact O-N 3.45Å; F1351-L1355 HydrophobicContact CE1-CD1 4.42Å; F1351-L1355 HydrophobicContact CE1-CD2 3.95Å; F1351-L1355 HydrophobicContact CE2-CD1 4.03Å; F1351-L1355 HydrophobicContact CZ-CD1 3.7Å; F1351-L1355 HydrophobicContact CZ-CD2 4.06Å; F1351-L1355 HydrophobicContact CZ-CG 4.31Å; F1351-L1355 WeakPolarHBondContact O-CB 3.42Å; F1351-L1355 PolarHBondContact O-N 2.78Å; F1351-L1366 HydrophobicContact CD1-CD1 4.19Å; F1351-L1366 HydrophobicContact CE1-CD1 4.13Å; F1351-F1398 HydrophobicContact CD2-CD1 4.2Å; F1351-F1398 HydrophobicContact CD2-CD2 4.14Å; F1351-F1398 AromaticContact CD2-CE1 3.86Å; F1351-F1398 HydrophobicContact CD2-CE1 3.86Å; F1351-F1398 AromaticContact CD2-CE2 3.8Å; F1351-F1398 HydrophobicContact CD2-CE2 3.8Å; F1351-F1398 HydrophobicContact CD2-CG 4.33Å; F1351-F1398 AromaticContact CD2-CZ 3.65Å; F1351-F1398 HydrophobicContact CD2-CZ 3.65Å; F1351-F1398 HydrophobicContact CE2-CD1 4.23Å; F1351-F1398 AromaticContact CE2-CD2 3.41Å; F1351-F1398 HydrophobicContact CE2-CD2 3.41Å; F1351-F1398 VanDerWaalsContact CE2-CD2 3.41Å; F1351-F1398 HydrophobicContact CE2-CE1 4.13Å; F1351-F1398 AromaticContact CE2-CE2 3.3Å; F1351-F1398 HydrophobicContact CE2-CE2 3.3Å; F1351-F1398 AromaticContact CE2-CG 3.9Å; F1351-F1398 HydrophobicContact CE2-CG 3.9Å; F1351-F1398 AromaticContact CE2-CZ 3.68Å; F1351-F1398 HydrophobicContact CE2-CZ 3.68Å; F1351-F1398 HydrophobicContact CG-CE1 4.46Å; F1351-F1398 HydrophobicContact CZ-CB 4.37Å; F1351-F1398 AromaticContact CZ-CD2 3.71Å; F1351-F1398 HydrophobicContact CZ-CD2 3.71Å; F1351-F1398 HydrophobicContact CZ-CE2 4.09Å; F1351-F1398 AromaticContact CZ-CG 3.99Å; F1351-F1398 HydrophobicContact CZ-CG 3.99Å; F1351-F1400 HydrophobicContact CD1-CZ 4.07Å; F1351-F1400 HydrophobicContact CE1-CE2 4.18Å; F1351-F1400 HydrophobicContact CE1-CZ 4.15Å; F1351-I1405 HydrophobicContact CE1-CD1 4.02Å; F1351-I1405 HydrophobicContact CZ-CG2 4.08Å; F1351-T1407 HydrophobicContact CE2-CG2 4.03Å; F1351-T1407 HydrophobicContact CZ-CG2 4Å; F1351-F1433 HydrophobicContact CD2-CD2 4.07Å; F1351-F1433 HydrophobicContact CD2-CG 4.37Å; F1351-F1433 HydrophobicContact CE2-CB 4.11Å; F1351-F1433 HydrophobicContact CE2-CD2 4.35Å; F1351-F1433 HydrophobicContact CE2-CG 4.2Å
1352R89.5Confident81.3Confident84 Ų8458.9 Ų58.932%0.31731%0.305SS..Hα-helixtrans-54.8-46.7175.8-177.5-170.1-176.3-141.81.4111.3I1348 D1349 R1354 L1355 L1363 D1364 L1366 S1367I1348-R1352 VanDerWaalsContact O-CB 3.25Å; I1348-R1352 WeakPolarHBondContact O-CB 3.18Å; I1348-R1352 PolarHBondContact O-N 3.3Å; D1349-R1352 PolarHBondContact O-N 3.44Å; R1352-R1354 PolarHBondContact O-N 2.71Å; R1352-R1354 VanDerWaalsContact O-N 3.13Å; R1352-L1355 PolarHBondContact O-N 3.41Å; R1352-L1363 WeakPolarHBondContact CD-O 3.36Å; R1352-L1363 HydrophobicContact CG-CB 4.33Å; R1352-L1363 HydrophobicContact CG-CD2 3.75Å; R1352-L1363 PolarHBondContact NE-O 2.76Å; R1352-D1364 IonicContact NH2-OD1 3.87Å; R1352-L1366 HydrophobicContact CB-CB 4.45Å; R1352-L1366 HydrophobicContact CB-CD1 4.45Å; R1352-L1366 HydrophobicContact CG-CB 4.44Å; R1352-S1367 WeakPolarHBondContact CD-OG 3.4Å; R1352-S1367 PolarHBondContact NE-OG 2.92Å; R1352-S1367 PolarHBondContact NH1-OG 3.13Å
1353S86.6Confident82.9Confident85 Ų8554 Ų5459%0.59429%0.285SS*.THydrogen-bonded Turntrans-68.4-9.5179.796.50000113.9D1349 W1350 F1351D1349-S1353 WeakPolarHBondContact O-CB 3.32Å; D1349-S1353 PolarHBondContact O-N 3.47Å; W1350-S1353 PolarHBondContact O-OG 3.47Å; F1351-S1353 VanDerWaalsContact C-N 3.34Å; F1351-S1353 PolarHBondContact O-N 2.85Å
1354R88.2Confident84.2Confident43 Ų4355.2 Ų55.216%0.16229%0.292CS..THydrogen-bonded Turntrans-122.4-0.7-176.5-74.5168.1167.277.9-2.2113W1350 F1351 R1352 I1356 L1426 I1429 W1431 S1432 F1433W1350-R1354 WeakPolarHBondContact O-CB 3.24Å; W1350-R1354 WeakPolarHBondContact O-CD 3.48Å; W1350-R1354 WeakPolarHBondContact O-CG 3.22Å; W1350-R1354 PolarHBondContact O-N 2.77Å; F1351-R1354 CarbonylContact O-C 3.49Å; F1351-R1354 PolarHBondContact O-N 3.45Å; R1352-R1354 PolarHBondContact O-N 2.71Å; R1352-R1354 VanDerWaalsContact O-N 3.13Å; R1354-I1356 PolarHBondContact O-N 2.77Å; R1354-L1426 PolarHBondContact NH2-O 2.9Å; R1354-I1429 PolarHBondContact NE-O 3.35Å; R1354-I1429 PolarHBondContact NH2-O 3.31Å; R1354-W1431 WeakPolarHBondContact CD-O 3.43Å; R1354-W1431 VanDerWaalsContact CG-O 3.3Å; R1354-W1431 WeakPolarHBondContact CG-O 3.44Å; R1354-S1432 WeakPolarHBondContact O-CA 3.25Å; R1354-S1432 WeakPolarHBondContact O-CB 3.13Å; R1354-F1433 HydrophobicContact CB-CD2 4.06Å; R1354-F1433 HydrophobicContact CB-CE2 4.39Å; R1354-F1433 PolarHBondContact O-N 3.44Å
1355L90.9Very high85.2Confident13 Ų1356.2 Ų56.27%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-85.4110.5179.7-177.966.6000109.7F1351 R1352 A1358 L1362 L1363 L1366 T1407 F1433 L1435F1351-L1355 HydrophobicContact CE1-CD1 4.42Å; F1351-L1355 HydrophobicContact CE1-CD2 3.95Å; F1351-L1355 HydrophobicContact CE2-CD1 4.03Å; F1351-L1355 HydrophobicContact CZ-CD1 3.7Å; F1351-L1355 HydrophobicContact CZ-CD2 4.06Å; F1351-L1355 HydrophobicContact CZ-CG 4.31Å; F1351-L1355 WeakPolarHBondContact O-CB 3.42Å; F1351-L1355 PolarHBondContact O-N 2.78Å; R1352-L1355 PolarHBondContact O-N 3.41Å; L1355-A1358 HydrophobicContact CD2-CB 3.51Å; L1355-A1358 HydrophobicContact CG-CB 3.76Å; L1355-L1362 HydrophobicContact CD2-CD2 4.03Å; L1355-L1363 HydrophobicContact CD2-CD2 4.3Å; L1355-L1366 HydrophobicContact CD2-CD1 4.07Å; L1355-T1407 HydrophobicContact CD1-CG2 3.74Å; L1355-F1433 CarbonylContact C-O 3.55Å; L1355-F1433 WeakPolarHBondContact CA-O 3.47Å; L1355-F1433 HydrophobicContact CD1-CB 4.4Å; L1355-F1433 WeakPolarHBondContact CD1-O 3.4Å; L1355-L1435 HydrophobicContact CD1-CB 4.25Å
1356I88Confident85.9Confident89 Ų8953.9 Ų53.946%0.45628%0.279SS..EExtended strand (participates in β ladder)trans-98.5134.2-177.5-60179000109.4R1354 S1432 F1433 I1434 L1435R1354-I1356 PolarHBondContact O-N 2.77Å; I1356-S1432 WeakPolarHBondContact CD1-OG 3.04Å; I1356-F1433 PolarHBondContact N-O 2.78Å; I1356-I1434 HydrophobicContact CB-CG1 4.35Å; I1356-I1434 WeakPolarHBondContact O-CA 3.37Å; I1356-L1435 PolarHBondContact O-N 2.79Å
1357G86.4Confident86.3Confident64 Ų6451.2 Ų51.266%0.6627%0.267SS*.SBendtrans80.420.3178.100000114.6L1435G1357-L1435 WeakPolarHBondContact O-CD2 3.39Å
1358A86Confident86.1Confident18 Ų1851.5 Ų51.515%0.14927%0.272CS..  trans-87.9140.3169.500000111.8L1355 L1362 L1363 L1435L1355-A1358 HydrophobicContact CD2-CB 3.51Å; L1355-A1358 HydrophobicContact CG-CB 3.76Å; A1358-L1362 HydrophobicContact CB-CB 4.5Å; A1358-L1362 HydrophobicContact CB-CD2 3.87Å; A1358-L1363 HydrophobicContact CB-CD2 3.94Å; A1358-L1363 HydrophobicContact CB-CG 4.04Å; A1358-L1435 HydrophobicContact CB-CD2 4.22Å
1359D86.8Confident85.1Confident97 Ų9755.2 Ų55.252%0.51929%0.292SS..  trans-64.7154171.7-59.8-35.7000111.5W1361 L1362 L1363D1359-W1361 VanDerWaalsContact C-N 3.27Å; D1359-W1361 HydrophobicContact CB-CG 4.25Å; D1359-W1361 PolarHBondContact O-N 3.35Å; D1359-W1361 PolarHBondContact OD2-NE1 3.49Å; D1359-L1362 PolarHBondContact O-N 2.68Å; D1359-L1363 PolarHBondContact O-N 2.84Å
1360K86.2Confident83.8Confident157 Ų15757.9 Ų57.968%0.68331%0.311SS*.Hα-helixtrans-52.2-42.8176.3-173.4-179.9177.1-176.60112.6L1362 L1363 D1364K1360-L1362 VanDerWaalsContact C-N 3.25Å; K1360-L1362 PolarHBondContact O-N 3.45Å; K1360-L1363 PolarHBondContact O-N 2.71Å; K1360-D1364 WeakPolarHBondContact CE-OD2 3.29Å; K1360-D1364 WeakPolarHBondContact CG-OD2 3.38Å; K1360-D1364 WeakPolarHBondContact O-CB 3.43Å; K1360-D1364 VanDerWaalsContact O-CG 3.27Å; K1360-D1364 PolarHBondContact O-N 2.77Å
1361W90.4Very high82.6Confident113 Ų11358.1 Ų58.143%0.42832%0.315SS..Hα-helixtrans-59.9-33.6179.676.2-96.6000113.2D1359 W1365 Y1403 P1439D1359-W1361 VanDerWaalsContact C-N 3.27Å; D1359-W1361 HydrophobicContact CB-CG 4.25Å; D1359-W1361 PolarHBondContact O-N 3.35Å; D1359-W1361 PolarHBondContact OD2-NE1 3.49Å; W1361-W1365 WeakPolarHBondContact O-CB 3.39Å; W1361-W1365 PolarHBondContact O-N 2.88Å; W1361-Y1403 HydrophobicContact CH2-CE1 4.2Å; W1361-Y1403 HydrophobicContact CZ3-CE1 4.41Å; W1361-Y1403 HydrophobicContact CZ3-CE2 4.27Å; W1361-Y1403 AromaticContact CZ3-CZ 3.99Å; W1361-P1439 HydrophobicContact CH2-CB 4.29Å; W1361-P1439 HydrophobicContact CH2-CG 3.96Å; W1361-P1439 HydrophobicContact CZ2-CG 4.07Å
1362L88Confident80.6Confident1 Ų163.6 Ų63.61%0.00534%0.341CS..Hα-helixtrans-75.9-41.9179.9-179.562.2000110.4L1355 A1358 D1359 K1360 W1365 L1366 I1405 L1435 P1439L1355-L1362 HydrophobicContact CD2-CD2 4.03Å; A1358-L1362 HydrophobicContact CB-CB 4.5Å; A1358-L1362 HydrophobicContact CB-CD2 3.87Å; D1359-L1362 PolarHBondContact O-N 2.68Å; K1360-L1362 VanDerWaalsContact C-N 3.25Å; K1360-L1362 PolarHBondContact O-N 3.45Å; L1362-W1365 HydrophobicContact CD1-CE3 4.06Å; L1362-L1366 HydrophobicContact CG-CD1 4.29Å; L1362-L1366 WeakPolarHBondContact O-CB 3.4Å; L1362-L1366 WeakPolarHBondContact O-CG 3.49Å; L1362-L1366 PolarHBondContact O-N 3.26Å; L1362-I1405 HydrophobicContact CD1-CD1 4Å; L1362-I1405 HydrophobicContact CD2-CD1 4.36Å; L1362-L1435 HydrophobicContact CD2-CD2 4.14Å; L1362-P1439 HydrophobicContact CD1-CB 4.41Å; L1362-P1439 HydrophobicContact CD1-CG 3.77Å; L1362-P1439 HydrophobicContact CD2-CG 3.44Å; L1362-P1439 VanDerWaalsContact CD2-CG 3.44Å; L1362-P1439 HydrophobicContact CG-CG 4.17Å
1363L87.9Confident78.7Confident43 Ų4364.2 Ų64.223%0.22535%0.35CS..Hα-helixtrans-64.2-43.6175.2-62.5174.7000110.7R1352 L1355 A1358 D1359 K1360 L1366 S1367R1352-L1363 WeakPolarHBondContact CD-O 3.36Å; R1352-L1363 HydrophobicContact CG-CB 4.33Å; R1352-L1363 HydrophobicContact CG-CD2 3.75Å; R1352-L1363 PolarHBondContact NE-O 2.76Å; L1355-L1363 HydrophobicContact CD2-CD2 4.3Å; A1358-L1363 HydrophobicContact CB-CD2 3.94Å; A1358-L1363 HydrophobicContact CB-CG 4.04Å; D1359-L1363 PolarHBondContact O-N 2.84Å; K1360-L1363 PolarHBondContact O-N 2.71Å; L1363-L1366 PolarHBondContact O-N 3.39Å; L1363-S1367 PolarHBondContact O-N 3.27Å
1364D85Confident77.1Confident75 Ų7564.8 Ų64.840%0.40135%0.352SS..Hα-helixtrans-67.5-42.1178.1-67.9-9.7000111.1R1352 K1360 L1366 S1367 D1368R1352-D1364 IonicContact NH2-OD1 3.87Å; K1360-D1364 WeakPolarHBondContact CE-OD2 3.29Å; K1360-D1364 WeakPolarHBondContact CG-OD2 3.38Å; K1360-D1364 WeakPolarHBondContact O-CB 3.43Å; K1360-D1364 VanDerWaalsContact O-CG 3.27Å; K1360-D1364 PolarHBondContact O-N 2.77Å; D1364-L1366 VanDerWaalsContact C-N 3.34Å; D1364-L1366 PolarHBondContact O-N 2.89Å; D1364-S1367 PolarHBondContact O-N 2.85Å; D1364-D1368 PolarHBondContact O-N 3.47Å
1365W86.9Confident75.5Confident32 Ų3268.5 Ų68.512%0.12137%0.371CS..Hα-helixtrans-57.2-46.2172.2177.765.7000111.4W1361 L1362 S1367 D1368 P1378 F1400 K1402 Y1403W1361-W1365 WeakPolarHBondContact O-CB 3.39Å; W1361-W1365 PolarHBondContact O-N 2.88Å; L1362-W1365 HydrophobicContact CD1-CE3 4.06Å; W1365-S1367 VanDerWaalsContact C-N 3.25Å; W1365-S1367 PolarHBondContact O-N 3.08Å; W1365-D1368 WeakPolarHBondContact O-CB 3.39Å; W1365-D1368 PolarHBondContact O-N 2.97Å; W1365-P1378 HydrophobicContact CD2-CG 4.14Å; W1365-P1378 HydrophobicContact CH2-CB 3.88Å; W1365-P1378 HydrophobicContact CH2-CG 4.44Å; W1365-P1378 HydrophobicContact CZ2-CB 3.84Å; W1365-P1378 HydrophobicContact CZ2-CG 4.04Å; W1365-P1378 HydrophobicContact CZ3-CB 4.25Å; W1365-P1378 WeakPolarHBondContact O-CG 3.23Å; W1365-F1400 HydrophobicContact CH2-CB 3.73Å; W1365-F1400 HydrophobicContact CH2-CD1 4.03Å; W1365-F1400 HydrophobicContact CH2-CG 4.01Å; W1365-F1400 HydrophobicContact CZ3-CB 4.34Å; W1365-F1400 HydrophobicContact CZ3-CD1 4.21Å; W1365-F1400 HydrophobicContact CZ3-CG 4.2Å; W1365-K1402 HydrophobicContact CH2-CB 4.48Å; W1365-K1402 HydrophobicContact CZ2-CB 4Å; W1365-K1402 HydrophobicContact CZ2-CD 4.28Å; W1365-Y1403 HydrophobicContact CD2-CD2 4.21Å; W1365-Y1403 HydrophobicContact CD2-CE2 4.15Å; W1365-Y1403 HydrophobicContact CE3-CD2 4.01Å; W1365-Y1403 HydrophobicContact CE3-CE2 4.36Å; W1365-Y1403 AromaticContact CH2-CD2 3.71Å; W1365-Y1403 HydrophobicContact CH2-CD2 3.71Å; W1365-Y1403 HydrophobicContact CH2-CE2 4.46Å; W1365-Y1403 AromaticContact CZ2-CD2 3.91Å; W1365-Y1403 HydrophobicContact CZ2-CD2 3.91Å; W1365-Y1403 HydrophobicContact CZ2-CE2 4.26Å; W1365-Y1403 AromaticContact CZ3-CD2 3.76Å; W1365-Y1403 HydrophobicContact CZ3-CD2 3.76Å
1366L86.6Confident74.2Confident5 Ų571.7 Ų71.73%0.02639%0.385CS..Hα-helixtrans-60-28.7-178.5-75.1168000113.9I1348 F1351 R1352 L1355 L1362 L1363 D1364 F1400 I1405I1348-L1366 HydrophobicContact CG2-CB 3.98Å; I1348-L1366 HydrophobicContact CG2-CD2 3.96Å; I1348-L1366 WeakPolarHBondContact CG2-O 3.31Å; F1351-L1366 HydrophobicContact CD1-CD1 4.19Å; F1351-L1366 HydrophobicContact CE1-CD1 4.13Å; R1352-L1366 HydrophobicContact CB-CB 4.45Å; R1352-L1366 HydrophobicContact CB-CD1 4.45Å; R1352-L1366 HydrophobicContact CG-CB 4.44Å; L1355-L1366 HydrophobicContact CD2-CD1 4.07Å; L1362-L1366 HydrophobicContact CG-CD1 4.29Å; L1362-L1366 WeakPolarHBondContact O-CB 3.4Å; L1362-L1366 WeakPolarHBondContact O-CG 3.49Å; L1362-L1366 PolarHBondContact O-N 3.26Å; L1363-L1366 PolarHBondContact O-N 3.39Å; D1364-L1366 VanDerWaalsContact C-N 3.34Å; D1364-L1366 PolarHBondContact O-N 2.89Å; L1366-F1400 HydrophobicContact CD2-CD1 4.17Å; L1366-F1400 HydrophobicContact CD2-CE1 3.41Å; L1366-F1400 VanDerWaalsContact CD2-CE1 3.41Å; L1366-F1400 HydrophobicContact CD2-CE2 4.16Å; L1366-F1400 HydrophobicContact CD2-CZ 3.43Å; L1366-F1400 VanDerWaalsContact CD2-CZ 3.43Å; L1366-I1405 HydrophobicContact CD2-CD1 4.4Å
1367S79.8Confident73.4Confident30 Ų3071.8 Ų71.821%0.2138%0.38CS..THydrogen-bonded Turntrans-100.310.9174-65.30000114.2D1349 R1352 L1363 D1364 W1365 N1369D1349-S1367 PolarHBondContact OD1-OG 2.94Å; R1352-S1367 WeakPolarHBondContact CD-OG 3.4Å; R1352-S1367 PolarHBondContact NE-OG 2.92Å; R1352-S1367 PolarHBondContact NH1-OG 3.13Å; L1363-S1367 PolarHBondContact O-N 3.27Å; D1364-S1367 PolarHBondContact O-N 2.85Å; W1365-S1367 VanDerWaalsContact C-N 3.25Å; W1365-S1367 PolarHBondContact O-N 3.08Å; S1367-N1369 PolarHBondContact O-N 3.39Å
1368D74.2Confident73Confident50 Ų5069.5 Ų69.527%0.26735%0.353SS..  trans-72.587.7176.9-176.813.1000111.9D1364 W1365 T1370 P1378D1364-D1368 PolarHBondContact O-N 3.47Å; W1365-D1368 WeakPolarHBondContact O-CB 3.39Å; W1365-D1368 PolarHBondContact O-N 2.97Å; D1368-T1370 VanDerWaalsContact C-N 3.3Å; D1368-T1370 WeakPolarHBondContact OD1-CA 3.16Å; D1368-T1370 WeakPolarHBondContact OD1-CB 3.21Å; D1368-T1370 PolarHBondContact OD1-N 3.34Å; D1368-T1370 PolarHBondContact OD1-OG1 3.03Å; D1368-P1378 VanDerWaalsContact O-CD 3.23Å; D1368-P1378 WeakPolarHBondContact O-CD 3.2Å
1369N63.7Low72.6Confident85 Ų8570.9 Ų70.946%0.45536%0.361SS..  trans-84.9-0.8169.2-72.5-58.2000113S1367 R1377S1367-N1369 PolarHBondContact O-N 3.39Å; N1369-R1377 PolarHBondContact O-NE 2.76Å; N1369-R1377 PolarHBondContact O-NH1 2.98Å; N1369-R1377 PolarHBondContact O-NH2 3.03Å
1370T54.9Low72.3Confident120 Ų12067.2 Ų67.274%0.73634%0.342SS*.  trans-88.2-17.7-167.671.70000114.1D1368 Q1372D1368-T1370 VanDerWaalsContact C-N 3.3Å; D1368-T1370 WeakPolarHBondContact OD1-CA 3.16Å; D1368-T1370 WeakPolarHBondContact OD1-CB 3.21Å; D1368-T1370 PolarHBondContact OD1-N 3.34Å; D1368-T1370 PolarHBondContact OD1-OG1 3.03Å; T1370-Q1372 PolarHBondContact O-N 3.2Å
1371A59.7Low71.9Confident15 Ų1560.4 Ų60.412%0.12431%0.313CS..  trans-56.7130.8-179.600000112.2N1373 E1376 R1377A1371-N1373 PolarHBondContact O-N 3.17Å; A1371-E1376 HydrophobicContact CB-CB 3.74Å; A1371-R1377 HydrophobicContact CB-CG 3.88Å; A1371-R1377 PolarHBondContact O-NE 2.73Å; A1371-R1377 PolarHBondContact O-NH2 3.32Å
1372Q47.7Very low71.4Confident117 Ų11756.2 Ų56.255%0.54730%0.298SS..SBendtrans-65.2-38.7-174.3-73.4149.9-400112.1C649 V650 T1370C649-Q1372 WeakPolarHBondContact O-CG 3.5Å; C649-Q1372 PolarHBondContact O-NE2 3.18Å; V650-Q1372 HydrophobicContact CG1-CB 4.29Å; V650-Q1372 HydrophobicContact CG1-CG 3.81Å; T1370-Q1372 PolarHBondContact O-N 3.2Å
1373N48.2Very low71.3Confident97 Ų9757.4 Ų57.452%0.51931%0.306SS..SBendtrans-87.8126.4173.8-83.3-53.6000110.8A1371 H1375 E1376A1371-N1373 PolarHBondContact O-N 3.17Å; N1373-H1375 PolarHBondContact O-N 3.42Å; N1373-E1376 HydrophobicContact CB-CG 4.05Å; N1373-E1376 PolarHBondContact O-N 3.44Å
1374P52.9Low71.1Confident96 Ų9655.6 Ų55.662%0.62330%0.298SS*.THydrogen-bonded Turntrans-54.7-28.6176.1-27.935.5000114.2E1376P1374-E1376 VanDerWaalsContact C-N 3.29Å; P1374-E1376 PolarHBondContact O-N 3.25Å
1375H54.9Low71.3Confident122 Ų12252.1 Ų52.157%0.56528%0.28SS*.THydrogen-bonded Turntrans-70.3-18.6177.2-67-71.5000114.7N1373 N1401 L1558N1373-H1375 PolarHBondContact O-N 3.42Å; H1375-N1401 PolarHBondContact O-ND2 3.46Å; H1375-L1558 HydrophobicContact CB-CD2 3.97Å
1376E63.3Low71.5Confident80 Ų8050.7 Ų50.737%0.37427%0.274SS..THydrogen-bonded Turntrans-87.6-26.8-177.7-70.6-177.3139.700113.5A1371 N1373 P1374 K1402A1371-E1376 HydrophobicContact CB-CB 3.74Å; N1373-E1376 HydrophobicContact CB-CG 4.05Å; N1373-E1376 PolarHBondContact O-N 3.44Å; P1374-E1376 VanDerWaalsContact C-N 3.29Å; P1374-E1376 PolarHBondContact O-N 3.25Å; E1376-K1402 PolarHBondContact O-NZ 3.01Å
1377R71.8Confident71.7Confident91 Ų9151.9 Ų51.934%0.34328%0.279SS..SBendtrans-62.2151.6176.8-59.4-178-171.5-170-2.2110.9N1369 A1371 C1379 N1401N1369-R1377 PolarHBondContact O-NE 2.76Å; N1369-R1377 PolarHBondContact O-NH1 2.98Å; N1369-R1377 PolarHBondContact O-NH2 3.03Å; A1371-R1377 HydrophobicContact CB-CG 3.88Å; A1371-R1377 PolarHBondContact O-NE 2.73Å; A1371-R1377 PolarHBondContact O-NH2 3.32Å; R1377-C1379 PolarHBondContact O-N 2.89Å; R1377-N1401 PolarHBondContact O-ND2 3.02Å
1378P79Confident72.2Confident15 Ų1552.9 Ų52.910%0.09728%0.279CS..  trans-61.1127.8172.8-15.727.7000110.3I1348 W1365 D1368 F1400I1348-P1378 HydrophobicContact CD1-CB 4.3Å; I1348-P1378 WeakPolarHBondContact CD1-O 3.34Å; W1365-P1378 HydrophobicContact CD2-CG 4.14Å; W1365-P1378 HydrophobicContact CH2-CB 3.88Å; W1365-P1378 HydrophobicContact CH2-CG 4.44Å; W1365-P1378 HydrophobicContact CZ2-CB 3.84Å; W1365-P1378 HydrophobicContact CZ2-CG 4.04Å; W1365-P1378 HydrophobicContact CZ3-CB 4.25Å; W1365-P1378 WeakPolarHBondContact O-CG 3.23Å; D1368-P1378 VanDerWaalsContact O-CD 3.23Å; D1368-P1378 WeakPolarHBondContact O-CD 3.2Å; P1378-F1400 HydrophobicContact CB-CD1 4.27Å
1379C76.9Confident72.7Confident47 Ų4751.2 Ų51.232%0.31827%0.272SS..  trans-132118173.3177.40000108.3N1344 R1377 V1381 F1400 N1401N1344-C1379 PolarHBondContact ND2-SG 2.76Å; N1344-C1379 VanDerWaalsContact ND2-SG 3.4Å; R1377-C1379 PolarHBondContact O-N 2.89Å; C1379-V1381 PolarHBondContact O-N 2.74Å; C1379-F1400 CarbonylContact O-C 3.59Å; C1379-F1400 WeakPolarHBondContact O-CA 3.25Å; C1379-N1401 HydrophobicContact CB-CB 4.44Å; C1379-N1401 PolarHBondContact N-OD1 3.3Å; C1379-N1401 VanDerWaalsContact N-OD1 3.16Å; C1379-N1401 PolarHBondContact O-N 3.01Å
1380L80.7Confident73.6Confident21 Ų2155 Ų5511%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-69.8115.4172.5-17467.8000109N1344 I1348 F1398 F1400 F1420N1344-L1380 PolarHBondContact ND2-N 2.85Å; N1344-L1380 VanDerWaalsContact OD1-CB 3.22Å; N1344-L1380 WeakPolarHBondContact OD1-CB 3.4Å; N1344-L1380 PolarHBondContact OD1-N 2.76Å; I1348-L1380 HydrophobicContact CG1-CB 4.4Å; L1380-F1398 HydrophobicContact CD1-CB 3.88Å; L1380-F1398 HydrophobicContact CD1-CD1 4.05Å; L1380-F1398 HydrophobicContact CD1-CG 4.49Å; L1380-F1398 HydrophobicContact CD2-CD1 4.4Å; L1380-F1400 HydrophobicContact CB-CD1 4.35Å; L1380-F1400 HydrophobicContact CB-CE1 4.18Å; L1380-F1400 HydrophobicContact CD1-CD1 4.48Å; L1380-F1400 HydrophobicContact CD1-CD2 4.05Å; L1380-F1400 HydrophobicContact CD1-CE1 4.25Å; L1380-F1400 HydrophobicContact CD1-CE2 3.77Å; L1380-F1400 HydrophobicContact CD1-CG 4.39Å; L1380-F1400 HydrophobicContact CD1-CZ 3.87Å; L1380-F1420 HydrophobicContact CD2-CE2 3.48Å; L1380-F1420 VanDerWaalsContact CD2-CE2 3.48Å; L1380-F1420 HydrophobicContact CD2-CZ 3.44Å; L1380-F1420 VanDerWaalsContact CD2-CZ 3.44Å
1381V76.9Confident75Confident13 Ų1353.9 Ų53.98%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-90.1-44-176.6-175.70000110.7R1245 C1379 L1399 N1401 I1547 Q1551R1245-V1381 PolarHBondContact NH2-O 2.7Å; C1379-V1381 PolarHBondContact O-N 2.74Å; V1381-L1399 WeakPolarHBondContact CA-O 3.4Å; V1381-L1399 HydrophobicContact CB-CG 4.39Å; V1381-L1399 WeakPolarHBondContact CB-O 2.97Å; V1381-L1399 PolarHBondContact N-O 3.25Å; V1381-N1401 HydrophobicContact CG2-CB 4.47Å; V1381-I1547 HydrophobicContact CG1-CG2 4Å; V1381-Q1551 HydrophobicContact CB-CG 4.46Å; V1381-Q1551 HydrophobicContact CG1-CG 3.86Å; V1381-Q1551 HydrophobicContact CG2-CG 4.33Å
1382H80.3Confident76.2Confident26 Ų2657.3 Ų57.312%0.1229%0.291CS..EExtended strand (participates in β ladder)trans-155.5152.3-179.7-171.653.4000110.8L1399 W1544 I1547H1382-L1399 HydrophobicContact CB-CB 4.37Å; H1382-L1399 HydrophobicContact CB-CD2 4.47Å; H1382-L1399 PolarHBondContact N-O 3.49Å; H1382-L1399 WeakPolarHBondContact O-CB 3.45Å; H1382-L1399 PolarHBondContact O-N 2.74Å; H1382-W1544 AromaticContact CD2-CD2 3.89Å; H1382-W1544 AromaticContact CD2-CE2 3.63Å; H1382-W1544 AromaticContact CD2-CH2 3.84Å; H1382-W1544 AromaticContact CD2-CZ2 3.64Å; H1382-W1544 AromaticContact NE2-CE2 3.67Å; H1382-W1544 AromaticContact NE2-CZ2 3.92Å; H1382-W1544 AromaticContact NE2-NE1 3.72Å; H1382-I1547 HydrophobicContact CB-CD1 4.05Å; H1382-I1547 HydrophobicContact CB-CG2 4.21Å
1383C85.9Confident78.1Confident25 Ų2556.8 Ų56.817%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-144.4155.7170.8610000110.6C1397 F1398 F1418 F1420C1383-C1397 CarbonylContact C-O 3.56Å; C1383-C1397 WeakPolarHBondContact CA-O 3.37Å; C1383-F1398 HydrophobicContact CB-CD1 3.79Å; C1383-F1398 HydrophobicContact CB-CE1 4.17Å; C1383-F1398 HydrophobicContact CB-CG 4.43Å; C1383-F1418 HydrophobicContact CB-CD1 4.18Å; C1383-F1418 HydrophobicContact CB-CE1 4.33Å; C1383-F1420 VanDerWaalsContact SG-CE2 3.58Å
1384G84.5Confident80.1Confident6 Ų653.4 Ų53.46%0.06227%0.265CS..EExtended strand (participates in β ladder)trans172.4168.3178.600000114.3C1397G1384-C1397 PolarHBondContact N-O 3.44Å; G1384-C1397 PolarHBondContact O-N 3.48Å
1385T88Confident81.9Confident2 Ų248.9 Ų48.91%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-78.7127.1179-43.40000110.9Y1387 E1394 F1395 I1396 R1416 F1418T1385-Y1387 HydrophobicContact CG2-CE1 4.47Å; T1385-Y1387 HydrophobicContact CG2-CE2 4.4Å; T1385-E1394 HydrophobicContact CG2-CG 3.7Å; T1385-E1394 WeakPolarHBondContact CG2-OE1 3.39Å; T1385-F1395 WeakPolarHBondContact CA-O 3.46Å; T1385-I1396 HydrophobicContact CG2-CD1 4.1Å; T1385-R1416 PolarHBondContact OG1-O 3.28Å; T1385-F1418 PolarHBondContact OG1-N 3.28Å
1386L90.9Very high83.7Confident1 Ų143 Ų431%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-134.3150.9172.6-68.9178.6000109.7F1395 C1397 F1518 L1533 A1535 W1544L1386-F1395 PolarHBondContact N-O 2.65Å; L1386-F1395 WeakPolarHBondContact O-CA 2.91Å; L1386-F1395 PolarHBondContact O-N 2.96Å; L1386-F1395 VanDerWaalsContact O-O 3.08Å; L1386-C1397 HydrophobicContact CD1-CB 4.18Å; L1386-F1518 HydrophobicContact CD1-CE1 4.02Å; L1386-F1518 HydrophobicContact CD1-CZ 3.59Å; L1386-F1518 HydrophobicContact CD2-CE1 4.04Å; L1386-F1518 HydrophobicContact CD2-CZ 4.45Å; L1386-L1533 HydrophobicContact CB-CD2 4.42Å; L1386-L1533 HydrophobicContact CD1-CB 4.31Å; L1386-L1533 HydrophobicContact CD1-CD1 3.91Å; L1386-A1535 HydrophobicContact CD2-CB 3.72Å; L1386-W1544 HydrophobicContact CD1-CD2 3.79Å; L1386-W1544 HydrophobicContact CD1-CE3 4.16Å; L1386-W1544 HydrophobicContact CD1-CG 4.18Å; L1386-W1544 HydrophobicContact CD1-CH2 4.42Å; L1386-W1544 HydrophobicContact CD1-CZ2 4.05Å; L1386-W1544 HydrophobicContact CD1-CZ3 4.46Å; L1386-W1544 HydrophobicContact CD2-CG 4.2Å; L1386-W1544 HydrophobicContact CG-CD2 4.43Å; L1386-W1544 HydrophobicContact CG-CZ2 4.3Å
1387Y90.7Very high85Confident31 Ų3139.2 Ų39.212%0.12219%0.191CC..EExtended strand (participates in β ladder)trans-109.8137.2179.3-57.9-82.2000110.7T1385 A1389 R1393 E1394 L1533 K1534 P1536T1385-Y1387 HydrophobicContact CG2-CE1 4.47Å; T1385-Y1387 HydrophobicContact CG2-CE2 4.4Å; Y1387-A1389 PolarHBondContact O-N 3.44Å; Y1387-R1393 CarbonylContact C-O 3.51Å; Y1387-R1393 WeakPolarHBondContact CA-O 3.04Å; Y1387-E1394 HydrophobicContact CD1-CB 4.06Å; Y1387-E1394 HydrophobicContact CD1-CG 4.25Å; Y1387-E1394 HydrophobicContact CE1-CB 3.9Å; Y1387-E1394 HydrophobicContact CE1-CG 3.76Å; Y1387-L1533 CarbonylContact O-C 3.54Å; Y1387-L1533 WeakPolarHBondContact O-CA 3.14Å; Y1387-K1534 PolarHBondContact N-O 2.9Å; Y1387-K1534 PolarHBondContact O-N 2.87Å; Y1387-P1536 HydrophobicContact CE2-CG 4.17Å
1388K90.7Very high86Confident50 Ų5035 Ų3522%0.21717%0.174CC..EExtended strand (participates in β ladder)trans-67.9115171.3-172.2171.5177.7-1800109.5K1390 N1391 N1392 R1393 F1395 Y1436 V1531K1388-K1390 VanDerWaalsContact C-N 3.27Å; K1388-K1390 PolarHBondContact O-N 2.83Å; K1388-K1390 VanDerWaalsContact O-N 3.09Å; K1388-N1391 WeakPolarHBondContact CB-OD1 3.39Å; K1388-N1391 WeakPolarHBondContact CD-OD1 3.36Å; K1388-N1391 PolarHBondContact O-N 2.71Å; K1388-N1392 VanDerWaalsContact O-CA 3.26Å; K1388-N1392 WeakPolarHBondContact O-CA 2.95Å; K1388-N1392 PolarHBondContact O-N 2.67Å; K1388-R1393 HydrophobicContact CB-CB 4.26Å; K1388-R1393 PolarHBondContact N-O 3.49Å; K1388-F1395 HydrophobicContact CB-CD2 4.3Å; K1388-F1395 HydrophobicContact CB-CE2 3.65Å; K1388-F1395 HydrophobicContact CB-CZ 4.23Å; K1388-F1395 HydrophobicContact CD-CE2 4.13Å; K1388-F1395 HydrophobicContact CD-CZ 4.14Å; K1388-F1395 HydrophobicContact CG-CE2 4.2Å; K1388-Y1436 PolarHBondContact NZ-OH 2.74Å; K1388-V1531 HydrophobicContact CG-CG2 4.44Å
1389A86.2Confident86.5Confident15 Ų1534.2 Ų34.212%0.12417%0.17CC..THydrogen-bonded Turntrans-53.7-40.8-169.800000113.6Y1387 N1391 Y1512 V1517 T1532Y1387-A1389 PolarHBondContact O-N 3.44Å; A1389-N1391 PolarHBondContact O-N 3.19Å; A1389-Y1512 VanDerWaalsContact O-CD1 3.31Å; A1389-Y1512 WeakPolarHBondContact O-CD1 3.23Å; A1389-Y1512 WeakPolarHBondContact O-CE1 3.35Å; A1389-V1517 HydrophobicContact CB-CG1 4.3Å; A1389-T1532 HydrophobicContact CB-CG2 3.72Å; A1389-T1532 PolarHBondContact N-O 2.99Å
1390K81Confident87Confident164 Ų16432 Ų3271%0.71316%0.155SC*.THydrogen-bonded Turntrans-66.3-28-176.6-176.7172.3-179.6177.60115.4K1388 Y1512K1388-K1390 VanDerWaalsContact C-N 3.27Å; K1388-K1390 PolarHBondContact O-N 2.83Å; K1388-K1390 VanDerWaalsContact O-N 3.09Å; K1390-Y1512 PolarHBondContact O-OH 2.82Å
1391N85.3Confident87.1Confident97 Ų9732.3 Ų32.352%0.51916%0.156SC..THydrogen-bonded Turntrans-140.213.3-176.269-26.3000113.4K1388 A1389 R1393K1388-N1391 WeakPolarHBondContact CB-OD1 3.39Å; K1388-N1391 WeakPolarHBondContact CD-OD1 3.36Å; K1388-N1391 PolarHBondContact O-N 2.71Å; A1389-N1391 PolarHBondContact O-N 3.19Å; N1391-R1393 PolarHBondContact O-N 3.3Å; N1391-R1393 WeakPolarHBondContact OD1-CB 3.1Å; N1391-R1393 PolarHBondContact OD1-N 2.69Å
1392N84.4Confident87.5Confident88 Ų8835.5 Ų35.547%0.47117%0.169SC..THydrogen-bonded Turntrans48.721.6-174.8-14757000114.7K1388 E1394K1388-N1392 VanDerWaalsContact O-CA 3.26Å; K1388-N1392 WeakPolarHBondContact O-CA 2.95Å; K1388-N1392 PolarHBondContact O-N 2.67Å; N1392-E1394 PolarHBondContact O-N 3.22Å
1393R87.6Confident88Confident105 Ų10537 Ų3740%0.39617%0.174SC..EExtended strand (participates in β ladder)trans-62.4124.8177.6174.7173.3175.8156.8-4.2108.8Y1387 K1388 N1391 F1395 T1408Y1387-R1393 CarbonylContact C-O 3.51Å; Y1387-R1393 WeakPolarHBondContact CA-O 3.04Å; K1388-R1393 HydrophobicContact CB-CB 4.26Å; K1388-R1393 PolarHBondContact N-O 3.49Å; N1391-R1393 PolarHBondContact O-N 3.3Å; N1391-R1393 WeakPolarHBondContact OD1-CB 3.1Å; N1391-R1393 PolarHBondContact OD1-N 2.69Å; R1393-F1395 HydrophobicContact CG-CE1 4.21Å; R1393-T1408 PolarHBondContact NE-OG1 2.84Å; R1393-T1408 PolarHBondContact NH2-OG1 2.98Å
1394E89.4Confident88.4Confident27 Ų2736 Ų3613%0.12617%0.167CC..EExtended strand (participates in β ladder)trans-68.6137.7178-168.4179.916300111.5T1385 Y1387 N1392 T1413T1385-E1394 HydrophobicContact CG2-CG 3.7Å; T1385-E1394 WeakPolarHBondContact CG2-OE1 3.39Å; Y1387-E1394 HydrophobicContact CD1-CB 4.06Å; Y1387-E1394 HydrophobicContact CD1-CG 4.25Å; Y1387-E1394 HydrophobicContact CE1-CB 3.9Å; Y1387-E1394 HydrophobicContact CE1-CG 3.76Å; N1392-E1394 PolarHBondContact O-N 3.22Å; E1394-T1413 VanDerWaalsContact OE1-CB 3.22Å; E1394-T1413 WeakPolarHBondContact OE1-CB 3.39Å; E1394-T1413 WeakPolarHBondContact OE1-CG2 3.48Å; E1394-T1413 PolarHBondContact OE1-OG1 3.19Å; E1394-T1413 PolarHBondContact OE2-OG1 2.97Å
1395F92.3Very high88.8Confident0 Ų035.7 Ų35.70%016%0.164CC..EExtended strand (participates in β ladder)trans-128139.5169.2-64.5-47.5000110.4T1385 L1386 K1388 R1393 T1407 Y1436 V1531 L1533T1385-F1395 WeakPolarHBondContact CA-O 3.46Å; L1386-F1395 PolarHBondContact N-O 2.65Å; L1386-F1395 WeakPolarHBondContact O-CA 2.91Å; L1386-F1395 PolarHBondContact O-N 2.96Å; L1386-F1395 VanDerWaalsContact O-O 3.08Å; K1388-F1395 HydrophobicContact CB-CD2 4.3Å; K1388-F1395 HydrophobicContact CB-CE2 3.65Å; K1388-F1395 HydrophobicContact CB-CZ 4.23Å; K1388-F1395 HydrophobicContact CD-CE2 4.13Å; K1388-F1395 HydrophobicContact CD-CZ 4.14Å; K1388-F1395 HydrophobicContact CG-CE2 4.2Å; R1393-F1395 HydrophobicContact CG-CE1 4.21Å; F1395-T1407 CarbonylContact C-O 3.49Å; F1395-T1407 WeakPolarHBondContact CA-O 3.21Å; F1395-T1407 WeakPolarHBondContact CB-O 3.06Å; F1395-T1407 WeakPolarHBondContact CD1-O 2.93Å; F1395-Y1436 HydrophobicContact CD1-CG 4.36Å; F1395-Y1436 AromaticContact CE1-CD1 3.78Å; F1395-Y1436 HydrophobicContact CE1-CD1 3.78Å; F1395-Y1436 AromaticContact CE1-CD2 3.65Å; F1395-Y1436 HydrophobicContact CE1-CD2 3.65Å; F1395-Y1436 HydrophobicContact CE1-CE1 4.35Å; F1395-Y1436 HydrophobicContact CE1-CE2 4.24Å; F1395-Y1436 AromaticContact CE1-CG 3.41Å; F1395-Y1436 HydrophobicContact CE1-CG 3.41Å; F1395-Y1436 VanDerWaalsContact CE1-CG 3.41Å; F1395-Y1436 HydrophobicContact CE2-CD1 4.02Å; F1395-Y1436 HydrophobicContact CE2-CE1 4.15Å; F1395-Y1436 HydrophobicContact CE2-CG 4.49Å; F1395-Y1436 AromaticContact CZ-CD1 3.37Å; F1395-Y1436 HydrophobicContact CZ-CD1 3.37Å; F1395-Y1436 AromaticContact CZ-CD2 3.75Å; F1395-Y1436 HydrophobicContact CZ-CD2 3.75Å; F1395-Y1436 AromaticContact CZ-CE1 3.55Å; F1395-Y1436 HydrophobicContact CZ-CE1 3.55Å; F1395-Y1436 AromaticContact CZ-CE2 3.94Å; F1395-Y1436 HydrophobicContact CZ-CE2 3.94Å; F1395-Y1436 AromaticContact CZ-CG 3.49Å; F1395-Y1436 HydrophobicContact CZ-CG 3.49Å; F1395-Y1436 VanDerWaalsContact CZ-CG 3.49Å; F1395-Y1436 AromaticContact CZ-CZ 3.85Å; F1395-V1531 HydrophobicContact CE2-CG2 4.43Å; F1395-L1533 HydrophobicContact CD2-CD2 3.75Å; F1395-L1533 HydrophobicContact CE2-CD2 4.14Å
1396I91.3Very high89.1Confident0 Ų036 Ų360%017%0.166CC..EExtended strand (participates in β ladder)trans-94.5116.4158.4-48.7-45.1000106.1T1385 F1398 T1407 P1409 T1413 F1418 F1433T1385-I1396 HydrophobicContact CG2-CD1 4.1Å; I1396-F1398 HydrophobicContact CB-CE2 3.96Å; I1396-F1398 HydrophobicContact CB-CZ 4.43Å; I1396-F1398 HydrophobicContact CG2-CD2 4.29Å; I1396-F1398 HydrophobicContact CG2-CE1 4.43Å; I1396-F1398 HydrophobicContact CG2-CE2 3.47Å; I1396-F1398 VanDerWaalsContact CG2-CE2 3.47Å; I1396-F1398 HydrophobicContact CG2-CZ 3.56Å; I1396-T1407 PolarHBondContact N-O 2.95Å; I1396-T1407 PolarHBondContact O-N 3.11Å; I1396-T1407 PolarHBondContact O-OG1 3Å; I1396-P1409 HydrophobicContact CD1-CG 4.2Å; I1396-P1409 HydrophobicContact CG1-CB 4Å; I1396-P1409 HydrophobicContact CG1-CG 3.9Å; I1396-T1413 HydrophobicContact CD1-CG2 4.05Å; I1396-F1418 HydrophobicContact CD1-CB 4.08Å; I1396-F1418 HydrophobicContact CG1-CD2 4.37Å; I1396-F1418 HydrophobicContact CG2-CB 3.84Å; I1396-F1418 HydrophobicContact CG2-CD1 3.63Å; I1396-F1418 HydrophobicContact CG2-CD2 3.77Å; I1396-F1418 HydrophobicContact CG2-CE1 4.12Å; I1396-F1418 HydrophobicContact CG2-CE2 4.25Å; I1396-F1418 HydrophobicContact CG2-CG 3.43Å; I1396-F1418 VanDerWaalsContact CG2-CG 3.43Å; I1396-F1418 HydrophobicContact CG2-CZ 4.41Å; I1396-F1433 HydrophobicContact CB-CD1 4.23Å; I1396-F1433 HydrophobicContact CB-CE1 4.15Å; I1396-F1433 HydrophobicContact CG1-CD1 4.38Å; I1396-F1433 HydrophobicContact CG1-CE1 4.07Å; I1396-F1433 HydrophobicContact CG2-CE1 4.2Å
1397C91.9Very high89.2Confident0 Ų036 Ų360%017%0.165CC..EExtended strand (participates in β ladder)trans-102.9133.4-176.6-61.90000109.4C1383 G1384 L1386 L1404 L1406 W1544C1383-C1397 CarbonylContact C-O 3.56Å; C1383-C1397 WeakPolarHBondContact CA-O 3.37Å; G1384-C1397 PolarHBondContact N-O 3.44Å; G1384-C1397 PolarHBondContact O-N 3.48Å; L1386-C1397 HydrophobicContact CD1-CB 4.18Å; C1397-L1404 HydrophobicContact CB-CD1 4.48Å; C1397-L1406 HydrophobicContact CB-CD2 4.12Å; C1397-L1406 WeakPolarHBondContact SG-CD2 3.37Å; C1397-W1544 HydrophobicContact CB-CH2 3.58Å; C1397-W1544 HydrophobicContact CB-CZ2 4.02Å; C1397-W1544 HydrophobicContact CB-CZ3 4.3Å
1398F91.4Very high89.3Confident1 Ų135.5 Ų35.50%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-120.8109.7-179.9-62.3-95.7000108.8F1351 L1380 C1383 I1396 F1400 I1405 T1407 F1418 F1420 F1433F1351-F1398 HydrophobicContact CD2-CD1 4.2Å; F1351-F1398 HydrophobicContact CD2-CD2 4.14Å; F1351-F1398 AromaticContact CD2-CE1 3.86Å; F1351-F1398 HydrophobicContact CD2-CE1 3.86Å; F1351-F1398 AromaticContact CD2-CE2 3.8Å; F1351-F1398 HydrophobicContact CD2-CE2 3.8Å; F1351-F1398 HydrophobicContact CD2-CG 4.33Å; F1351-F1398 AromaticContact CD2-CZ 3.65Å; F1351-F1398 HydrophobicContact CD2-CZ 3.65Å; F1351-F1398 HydrophobicContact CE2-CD1 4.23Å; F1351-F1398 AromaticContact CE2-CD2 3.41Å; F1351-F1398 HydrophobicContact CE2-CD2 3.41Å; F1351-F1398 VanDerWaalsContact CE2-CD2 3.41Å; F1351-F1398 HydrophobicContact CE2-CE1 4.13Å; F1351-F1398 AromaticContact CE2-CE2 3.3Å; F1351-F1398 HydrophobicContact CE2-CE2 3.3Å; F1351-F1398 AromaticContact CE2-CG 3.9Å; F1351-F1398 HydrophobicContact CE2-CG 3.9Å; F1351-F1398 AromaticContact CE2-CZ 3.68Å; F1351-F1398 HydrophobicContact CE2-CZ 3.68Å; F1351-F1398 HydrophobicContact CG-CE1 4.46Å; F1351-F1398 HydrophobicContact CZ-CB 4.37Å; F1351-F1398 AromaticContact CZ-CD2 3.71Å; F1351-F1398 HydrophobicContact CZ-CD2 3.71Å; F1351-F1398 HydrophobicContact CZ-CE2 4.09Å; F1351-F1398 AromaticContact CZ-CG 3.99Å; F1351-F1398 HydrophobicContact CZ-CG 3.99Å; L1380-F1398 HydrophobicContact CD1-CB 3.88Å; L1380-F1398 HydrophobicContact CD1-CD1 4.05Å; L1380-F1398 HydrophobicContact CD1-CG 4.49Å; L1380-F1398 HydrophobicContact CD2-CD1 4.4Å; C1383-F1398 HydrophobicContact CB-CD1 3.79Å; C1383-F1398 HydrophobicContact CB-CE1 4.17Å; C1383-F1398 HydrophobicContact CB-CG 4.43Å; I1396-F1398 HydrophobicContact CB-CE2 3.96Å; I1396-F1398 HydrophobicContact CB-CZ 4.43Å; I1396-F1398 HydrophobicContact CG2-CD2 4.29Å; I1396-F1398 HydrophobicContact CG2-CE1 4.43Å; I1396-F1398 HydrophobicContact CG2-CE2 3.47Å; I1396-F1398 VanDerWaalsContact CG2-CE2 3.47Å; I1396-F1398 HydrophobicContact CG2-CZ 3.56Å; F1398-F1400 HydrophobicContact CB-CD2 4.35Å; F1398-F1400 HydrophobicContact CB-CE2 3.72Å; F1398-I1405 HydrophobicContact CB-CB 4.46Å; F1398-I1405 PolarHBondContact N-O 3.18Å; F1398-I1405 PolarHBondContact O-N 3.23Å; F1398-T1407 HydrophobicContact CD2-CG2 4.23Å; F1398-T1407 HydrophobicContact CE2-CG2 4.37Å; F1398-F1418 HydrophobicContact CE1-CD1 4.46Å; F1398-F1418 AromaticContact CE1-CE1 3.63Å; F1398-F1418 HydrophobicContact CE1-CE1 3.63Å; F1398-F1418 HydrophobicContact CE1-CZ 4Å; F1398-F1418 AromaticContact CZ-CE1 3.83Å; F1398-F1418 HydrophobicContact CZ-CE1 3.83Å; F1398-F1418 AromaticContact CZ-CZ 3.89Å; F1398-F1418 HydrophobicContact CZ-CZ 3.89Å; F1398-F1420 HydrophobicContact CD1-CZ 4.31Å; F1398-F1420 HydrophobicContact CE1-CE1 4.45Å; F1398-F1420 HydrophobicContact CE1-CE2 4.45Å; F1398-F1420 AromaticContact CE1-CZ 3.84Å; F1398-F1420 HydrophobicContact CE1-CZ 3.84Å; F1398-F1433 AromaticContact CE2-CD1 3.95Å; F1398-F1433 HydrophobicContact CE2-CD1 3.95Å; F1398-F1433 HydrophobicContact CE2-CE1 4.2Å; F1398-F1433 HydrophobicContact CE2-CG 4.36Å; F1398-F1433 HydrophobicContact CZ-CD1 4.1Å; F1398-F1433 AromaticContact CZ-CE1 3.92Å; F1398-F1433 HydrophobicContact CZ-CE1 3.92Å; F1398-F1433 HydrophobicContact CZ-CG 4.5Å; F1398-F1433 HydrophobicContact CZ-CZ 4.19Å
1399L90.1Very high89.2Confident0 Ų033.9 Ų33.90%016%0.16CC..EExtended strand (participates in β ladder)trans-95.1115.3178.5176.860.3000109.5V1381 H1382 L1404 L1442 W1544 I1547 L1548 Q1551V1381-L1399 WeakPolarHBondContact CA-O 3.4Å; V1381-L1399 HydrophobicContact CB-CG 4.39Å; V1381-L1399 WeakPolarHBondContact CB-O 2.97Å; V1381-L1399 PolarHBondContact N-O 3.25Å; H1382-L1399 HydrophobicContact CB-CB 4.37Å; H1382-L1399 HydrophobicContact CB-CD2 4.47Å; H1382-L1399 PolarHBondContact N-O 3.49Å; H1382-L1399 WeakPolarHBondContact O-CB 3.45Å; H1382-L1399 PolarHBondContact O-N 2.74Å; L1399-L1404 HydrophobicContact CB-CD1 3.98Å; L1399-L1404 HydrophobicContact CD1-CB 4.06Å; L1399-L1404 HydrophobicContact CD1-CD1 4.18Å; L1399-L1442 HydrophobicContact CD1-CD1 3.8Å; L1399-L1442 HydrophobicContact CD1-CD2 3.7Å; L1399-L1442 HydrophobicContact CD1-CG 4.31Å; L1399-W1544 HydrophobicContact CB-CZ3 4.16Å; L1399-I1547 HydrophobicContact CD2-CB 4.39Å; L1399-I1547 HydrophobicContact CD2-CG2 3.56Å; L1399-L1548 HydrophobicContact CD1-CD2 3.72Å; L1399-L1548 HydrophobicContact CD2-CD2 3.83Å; L1399-L1548 HydrophobicContact CD2-CG 4.23Å; L1399-L1548 HydrophobicContact CG-CD2 4.38Å; L1399-Q1551 HydrophobicContact CD2-CG 4.3Å
1400F88.2Confident89.2Confident1 Ų137.2 Ų37.20%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-102.4167.1171.9-64.5-107.3000111I1348 F1351 W1365 L1366 P1378 C1379 L1380 F1398 K1402 Y1403 I1405 L1442I1348-F1400 HydrophobicContact CD1-CE1 4Å; I1348-F1400 HydrophobicContact CG1-CE1 3.85Å; I1348-F1400 HydrophobicContact CG2-CE1 4.32Å; F1351-F1400 HydrophobicContact CD1-CZ 4.07Å; F1351-F1400 HydrophobicContact CE1-CE2 4.18Å; F1351-F1400 HydrophobicContact CE1-CZ 4.15Å; W1365-F1400 HydrophobicContact CH2-CB 3.73Å; W1365-F1400 HydrophobicContact CH2-CD1 4.03Å; W1365-F1400 HydrophobicContact CH2-CG 4.01Å; W1365-F1400 HydrophobicContact CZ3-CB 4.34Å; W1365-F1400 HydrophobicContact CZ3-CD1 4.21Å; W1365-F1400 HydrophobicContact CZ3-CG 4.2Å; L1366-F1400 HydrophobicContact CD2-CD1 4.17Å; L1366-F1400 HydrophobicContact CD2-CE1 3.41Å; L1366-F1400 VanDerWaalsContact CD2-CE1 3.41Å; L1366-F1400 HydrophobicContact CD2-CE2 4.16Å; L1366-F1400 HydrophobicContact CD2-CZ 3.43Å; L1366-F1400 VanDerWaalsContact CD2-CZ 3.43Å; P1378-F1400 HydrophobicContact CB-CD1 4.27Å; C1379-F1400 CarbonylContact O-C 3.59Å; C1379-F1400 WeakPolarHBondContact O-CA 3.25Å; L1380-F1400 HydrophobicContact CB-CD1 4.35Å; L1380-F1400 HydrophobicContact CB-CE1 4.18Å; L1380-F1400 HydrophobicContact CD1-CD1 4.48Å; L1380-F1400 HydrophobicContact CD1-CD2 4.05Å; L1380-F1400 HydrophobicContact CD1-CE1 4.25Å; L1380-F1400 HydrophobicContact CD1-CE2 3.77Å; L1380-F1400 HydrophobicContact CD1-CG 4.39Å; L1380-F1400 HydrophobicContact CD1-CZ 3.87Å; F1398-F1400 HydrophobicContact CB-CD2 4.35Å; F1398-F1400 HydrophobicContact CB-CE2 3.72Å; F1400-K1402 PolarHBondContact O-N 3.45Å; F1400-K1402 VanDerWaalsContact O-N 3.14Å; F1400-Y1403 WeakPolarHBondContact CA-O 3.34Å; F1400-Y1403 WeakPolarHBondContact CB-O 3.48Å; F1400-Y1403 PolarHBondContact N-O 2.86Å; F1400-I1405 HydrophobicContact CD2-CD1 3.96Å; F1400-I1405 HydrophobicContact CD2-CG1 4.24Å; F1400-I1405 HydrophobicContact CE2-CD1 3.65Å; F1400-I1405 HydrophobicContact CE2-CG1 4.26Å; F1400-I1405 HydrophobicContact CZ-CD1 4.44Å; F1400-L1442 WeakPolarHBondContact O-CD1 3.28Å
1401N81.8Confident89.2Confident26 Ų2631.5 Ų31.514%0.13915%0.15CC..SBendtrans-52.8-29.4175.960.6-31000115.3H1375 R1377 C1379 V1381H1375-N1401 PolarHBondContact O-ND2 3.46Å; R1377-N1401 PolarHBondContact O-ND2 3.02Å; C1379-N1401 HydrophobicContact CB-CB 4.44Å; C1379-N1401 PolarHBondContact N-OD1 3.3Å; C1379-N1401 VanDerWaalsContact N-OD1 3.16Å; C1379-N1401 PolarHBondContact O-N 3.01Å; V1381-N1401 HydrophobicContact CG2-CB 4.47Å
1402K85.4Confident88.5Confident80 Ų8032 Ų3235%0.34815%0.153SC..SBendtrans-113.2-28.9179.7-70.1177.3176.3168.90114.8W1365 E1376 F1400 L1442W1365-K1402 HydrophobicContact CH2-CB 4.48Å; W1365-K1402 HydrophobicContact CZ2-CB 4Å; W1365-K1402 HydrophobicContact CZ2-CD 4.28Å; E1376-K1402 PolarHBondContact O-NZ 3.01Å; F1400-K1402 PolarHBondContact O-N 3.45Å; F1400-K1402 VanDerWaalsContact O-N 3.14Å; K1402-L1442 PolarHBondContact O-N 2.73Å
1403Y91.5Very high87.7Confident59 Ų5928.5 Ų28.523%0.23114%0.135CC..EExtended strand (participates in β ladder)trans-136.3143.5-172.3-61.7-82.4000112.5W1361 W1365 F1400 P1439 L1440 A1441W1361-Y1403 HydrophobicContact CH2-CE1 4.2Å; W1361-Y1403 HydrophobicContact CZ3-CE1 4.41Å; W1361-Y1403 HydrophobicContact CZ3-CE2 4.27Å; W1361-Y1403 AromaticContact CZ3-CZ 3.99Å; W1365-Y1403 HydrophobicContact CD2-CD2 4.21Å; W1365-Y1403 HydrophobicContact CD2-CE2 4.15Å; W1365-Y1403 HydrophobicContact CE3-CD2 4.01Å; W1365-Y1403 HydrophobicContact CE3-CE2 4.36Å; W1365-Y1403 AromaticContact CH2-CD2 3.71Å; W1365-Y1403 HydrophobicContact CH2-CD2 3.71Å; W1365-Y1403 HydrophobicContact CH2-CE2 4.46Å; W1365-Y1403 AromaticContact CZ2-CD2 3.91Å; W1365-Y1403 HydrophobicContact CZ2-CD2 3.91Å; W1365-Y1403 HydrophobicContact CZ2-CE2 4.26Å; W1365-Y1403 AromaticContact CZ3-CD2 3.76Å; W1365-Y1403 HydrophobicContact CZ3-CD2 3.76Å; F1400-Y1403 WeakPolarHBondContact CA-O 3.34Å; F1400-Y1403 WeakPolarHBondContact CB-O 3.48Å; F1400-Y1403 PolarHBondContact N-O 2.86Å; Y1403-P1439 HydrophobicContact CD1-CB 3.99Å; Y1403-P1439 HydrophobicContact CG-CB 4.29Å; Y1403-L1440 WeakPolarHBondContact CA-O 3.41Å; Y1403-A1441 HydrophobicContact CD1-CB 3.92Å; Y1403-A1441 HydrophobicContact CE1-CB 3.78Å
1404L93.1Very high86.6Confident2 Ų229.7 Ų29.71%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-98.1116.4162.7173.167.5000109.2C1397 L1399 L1406 L1440 L1442 L1520 W1544 L1548C1397-L1404 HydrophobicContact CB-CD1 4.48Å; L1399-L1404 HydrophobicContact CB-CD1 3.98Å; L1399-L1404 HydrophobicContact CD1-CB 4.06Å; L1399-L1404 HydrophobicContact CD1-CD1 4.18Å; L1404-L1406 HydrophobicContact CD1-CD2 4.38Å; L1404-L1406 HydrophobicContact CD2-CD2 4.1Å; L1404-L1406 HydrophobicContact CG-CD2 4.05Å; L1404-L1440 HydrophobicContact CB-CB 4.29Å; L1404-L1440 HydrophobicContact CD2-CD1 4.45Å; L1404-L1440 PolarHBondContact N-O 2.78Å; L1404-L1440 PolarHBondContact O-N 3.45Å; L1404-L1442 HydrophobicContact CB-CD2 3.99Å; L1404-L1520 HydrophobicContact CD2-CD1 3.43Å; L1404-L1520 VanDerWaalsContact CD2-CD1 3.43Å; L1404-W1544 HydrophobicContact CD1-CZ3 4.09Å; L1404-L1548 HydrophobicContact CD1-CD2 4.47Å; L1404-L1548 HydrophobicContact CD2-CD2 3.96Å
1405I93.6Very high85.2Confident0 Ų030.7 Ų30.70%017%0.167CC..EExtended strand (participates in β ladder)trans-100.3122.9177.9-53.1179.4000108.5F1351 L1362 L1366 F1398 F1400 T1407 L1435 P1439F1351-I1405 HydrophobicContact CE1-CD1 4.02Å; F1351-I1405 HydrophobicContact CZ-CG2 4.08Å; L1362-I1405 HydrophobicContact CD1-CD1 4Å; L1362-I1405 HydrophobicContact CD2-CD1 4.36Å; L1366-I1405 HydrophobicContact CD2-CD1 4.4Å; F1398-I1405 HydrophobicContact CB-CB 4.46Å; F1398-I1405 PolarHBondContact N-O 3.18Å; F1398-I1405 PolarHBondContact O-N 3.23Å; F1400-I1405 HydrophobicContact CD2-CD1 3.96Å; F1400-I1405 HydrophobicContact CD2-CG1 4.24Å; F1400-I1405 HydrophobicContact CE2-CD1 3.65Å; F1400-I1405 HydrophobicContact CE2-CG1 4.26Å; F1400-I1405 HydrophobicContact CZ-CD1 4.44Å; I1405-T1407 HydrophobicContact CG2-CG2 3.92Å; I1405-L1435 HydrophobicContact CG2-CD1 3.5Å; I1405-L1435 VanDerWaalsContact CG2-CD1 3.5Å; I1405-P1439 HydrophobicContact CG1-CB 4.23Å
1406L94.1Very high83.7Confident9 Ų940.5 Ų40.55%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-100.5130.9175.2-53.8175.1000107.8C1397 L1404 Y1436 L1440 V1531 L1533C1397-L1406 HydrophobicContact CB-CD2 4.12Å; C1397-L1406 WeakPolarHBondContact SG-CD2 3.37Å; L1404-L1406 HydrophobicContact CD1-CD2 4.38Å; L1404-L1406 HydrophobicContact CD2-CD2 4.1Å; L1404-L1406 HydrophobicContact CG-CD2 4.05Å; L1406-Y1436 HydrophobicContact CB-CD1 4.25Å; L1406-Y1436 HydrophobicContact CD1-CD1 4.2Å; L1406-Y1436 WeakPolarHBondContact O-CB 3.48Å; L1406-Y1436 PolarHBondContact O-N 2.85Å; L1406-L1440 HydrophobicContact CD1-CD1 4.11Å; L1406-V1531 HydrophobicContact CD1-CG1 3.94Å; L1406-L1533 HydrophobicContact CD2-CD1 4.22Å
1407T94Very high82.8Confident0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-134.6151.1179.771.40000111.8F1351 L1355 F1395 I1396 F1398 I1405 F1433 I1434F1351-T1407 HydrophobicContact CE2-CG2 4.03Å; F1351-T1407 HydrophobicContact CZ-CG2 4Å; L1355-T1407 HydrophobicContact CD1-CG2 3.74Å; F1395-T1407 CarbonylContact C-O 3.49Å; F1395-T1407 WeakPolarHBondContact CA-O 3.21Å; F1395-T1407 WeakPolarHBondContact CB-O 3.06Å; F1395-T1407 WeakPolarHBondContact CD1-O 2.93Å; I1396-T1407 PolarHBondContact N-O 2.95Å; I1396-T1407 PolarHBondContact O-N 3.11Å; I1396-T1407 PolarHBondContact O-OG1 3Å; F1398-T1407 HydrophobicContact CD2-CG2 4.23Å; F1398-T1407 HydrophobicContact CE2-CG2 4.37Å; I1405-T1407 HydrophobicContact CG2-CG2 3.92Å; T1407-F1433 HydrophobicContact CG2-CB 4.06Å; T1407-I1434 CarbonylContact C-O 3.48Å; T1407-I1434 VanDerWaalsContact CA-O 3.27Å; T1407-I1434 WeakPolarHBondContact CA-O 3.46Å
1408T91.8Very high82.1Confident21 Ų2145.1 Ų45.113%0.12923%0.227CC..EExtended strand (participates in β ladder)trans-100.6124168.7-48.20000108.8R1393 I1434R1393-T1408 PolarHBondContact NE-OG1 2.84Å; R1393-T1408 PolarHBondContact NH2-OG1 2.98Å; T1408-I1434 PolarHBondContact N-O 2.94Å; T1408-I1434 PolarHBondContact O-N 3Å
1409P88.7Confident81Confident16 Ų1651.3 Ų51.310%0.10426%0.256CS..EExtended strand (participates in β ladder)trans-69.9150.717729.4-33000111.4I1396 Y1411I1396-P1409 HydrophobicContact CD1-CG 4.2Å; I1396-P1409 HydrophobicContact CG1-CB 4Å; I1396-P1409 HydrophobicContact CG1-CG 3.9Å; P1409-Y1411 HydrophobicContact CB-CD1 3.67Å; P1409-Y1411 HydrophobicContact CB-CE1 3.47Å; P1409-Y1411 VanDerWaalsContact CB-CE1 3.47Å; P1409-Y1411 HydrophobicContact CB-CG 4.29Å; P1409-Y1411 WeakPolarHBondContact CB-O 3.34Å; P1409-Y1411 VanDerWaalsContact CG-O 3.31Å; P1409-Y1411 WeakPolarHBondContact CG-O 3.33Å; P1409-Y1411 PolarHBondContact O-N 2.98Å
1410N86Confident80.1Confident85 Ų8552.8 Ų52.846%0.45526%0.263SS..SBendtrans-79.13.2168.974.6-24.3000113.8K1430 W1431 S1432N1410-K1430 PolarHBondContact ND2-O 3.03Å; N1410-W1431 WeakPolarHBondContact OD1-CA 3.23Å; N1410-S1432 WeakPolarHBondContact CB-OG 3.42Å; N1410-S1432 VanDerWaalsContact CG-N 3.32Å; N1410-S1432 VanDerWaalsContact CG-OG 3.23Å; N1410-S1432 PolarHBondContact N-O 3.05Å; N1410-S1432 PolarHBondContact ND2-OG 2.91Å; N1410-S1432 VanDerWaalsContact ND2-OG 3.13Å; N1410-S1432 PolarHBondContact OD1-N 3.19Å; N1410-S1432 PolarHBondContact OD1-O 3.4Å
1411Y81.9Confident79.2Confident45 Ų4553.4 Ų53.418%0.17627%0.267CS..SBendtrans-130.4157.1179.565.9-80000109.7P1409 T1413 F1418 W1431 F1433P1409-Y1411 HydrophobicContact CB-CD1 3.67Å; P1409-Y1411 HydrophobicContact CB-CE1 3.47Å; P1409-Y1411 VanDerWaalsContact CB-CE1 3.47Å; P1409-Y1411 HydrophobicContact CB-CG 4.29Å; P1409-Y1411 WeakPolarHBondContact CB-O 3.34Å; P1409-Y1411 VanDerWaalsContact CG-O 3.31Å; P1409-Y1411 WeakPolarHBondContact CG-O 3.33Å; P1409-Y1411 PolarHBondContact O-N 2.98Å; Y1411-T1413 HydrophobicContact CD2-CG2 4.47Å; Y1411-T1413 HydrophobicContact CE2-CG2 3.77Å; Y1411-F1418 VanDerWaalsContact OH-CD2 3.26Å; Y1411-F1418 WeakPolarHBondContact OH-CD2 3.5Å; Y1411-F1418 WeakPolarHBondContact OH-CE2 3.46Å; Y1411-W1431 HydrophobicContact CD1-CB 3.83Å; Y1411-W1431 AromaticContact CD1-CD1 3.44Å; Y1411-W1431 VanDerWaalsContact CD1-CD1 3.44Å; Y1411-W1431 HydrophobicContact CD1-CD2 4.04Å; Y1411-W1431 AromaticContact CD1-CG 3.49Å; Y1411-W1431 HydrophobicContact CD1-CG 3.49Å; Y1411-W1431 VanDerWaalsContact CD1-CG 3.49Å; Y1411-W1431 AromaticContact CD1-NE1 3.97Å; Y1411-W1431 HydrophobicContact CD2-CD2 4.49Å; Y1411-W1431 AromaticContact CD2-NE1 3.97Å; Y1411-W1431 HydrophobicContact CE1-CB 3.62Å; Y1411-W1431 AromaticContact CE1-CD1 3.82Å; Y1411-W1431 AromaticContact CE1-CD2 3.61Å; Y1411-W1431 HydrophobicContact CE1-CD2 3.61Å; Y1411-W1431 HydrophobicContact CE1-CE3 4.06Å; Y1411-W1431 AromaticContact CE1-CG 3.39Å; Y1411-W1431 HydrophobicContact CE1-CG 3.39Å; Y1411-W1431 HydrophobicContact CE2-CD2 4.07Å; Y1411-W1431 AromaticContact CE2-CE2 3.95Å; Y1411-W1431 HydrophobicContact CE2-CE3 4.42Å; Y1411-W1431 HydrophobicContact CE2-CZ2 4.25Å; Y1411-W1431 AromaticContact CG-CD1 3.71Å; Y1411-W1431 HydrophobicContact CG-CD2 4.48Å; Y1411-W1431 HydrophobicContact CG-CG 4.15Å; Y1411-W1431 AromaticContact CG-NE1 3.83Å; Y1411-W1431 AromaticContact CZ-CD2 3.61Å; Y1411-W1431 AromaticContact CZ-CE3 3.78Å; Y1411-W1431 AromaticContact CZ-CG 3.94Å; Y1411-F1433 HydrophobicContact CE1-CE1 4.2Å; Y1411-F1433 HydrophobicContact CE1-CZ 4.4Å
1412N71Confident77.9Confident107 Ų10755.9 Ų55.957%0.57229%0.286SS*.  trans-90.9128.6174-175-8.7000109.1N1414N1412-N1414 PolarHBondContact ND2-OD1 3.35Å; N1412-N1414 VanDerWaalsContact ND2-OD1 3.09Å; N1412-N1414 PolarHBondContact O-N 2.97Å; N1412-N1414 WeakPolarHBondContact OD1-CA 3.37Å; N1412-N1414 PolarHBondContact OD1-N 2.91Å; N1412-N1414 PolarHBondContact OD1-OD1 3.45Å
1413T66.6Low76.5Confident15 Ų1554.7 Ų54.79%0.09229%0.286CS..  trans-76-10.9174.760.20000113.2E1394 I1396 Y1411 G1415 R1416E1394-T1413 VanDerWaalsContact OE1-CB 3.22Å; E1394-T1413 WeakPolarHBondContact OE1-CB 3.39Å; E1394-T1413 WeakPolarHBondContact OE1-CG2 3.48Å; E1394-T1413 PolarHBondContact OE1-OG1 3.19Å; E1394-T1413 PolarHBondContact OE2-OG1 2.97Å; I1396-T1413 HydrophobicContact CD1-CG2 4.05Å; Y1411-T1413 HydrophobicContact CD2-CG2 4.47Å; Y1411-T1413 HydrophobicContact CE2-CG2 3.77Å; T1413-G1415 PolarHBondContact O-N 3.18Å; T1413-G1415 PolarHBondContact OG1-N 3.34Å; T1413-R1416 VanDerWaalsContact CB-O 3.27Å; T1413-R1416 WeakPolarHBondContact CB-O 3.17Å; T1413-R1416 VanDerWaalsContact O-CB 3.31Å; T1413-R1416 WeakPolarHBondContact O-CB 3.3Å; T1413-R1416 WeakPolarHBondContact O-CG 3.36Å; T1413-R1416 PolarHBondContact O-N 3.43Å; T1413-R1416 PolarHBondContact OG1-O 3.23Å
1414N65.3Low74.4Confident130 Ų13055.8 Ų55.870%0.69530%0.296SS*.THydrogen-bonded Turntrans5333.7-171.6-63.3-32.2000112.6N1412 R1416N1412-N1414 PolarHBondContact ND2-OD1 3.35Å; N1412-N1414 VanDerWaalsContact ND2-OD1 3.09Å; N1412-N1414 PolarHBondContact O-N 2.97Å; N1412-N1414 WeakPolarHBondContact OD1-CA 3.37Å; N1412-N1414 PolarHBondContact OD1-N 2.91Å; N1412-N1414 PolarHBondContact OD1-OD1 3.45Å; N1414-R1416 VanDerWaalsContact C-N 3.31Å; N1414-R1416 PolarHBondContact O-N 3.11Å
1415G59.5Low72.8Confident48 Ų4860 Ų6050%0.49532%0.315SS..THydrogen-bonded Turntrans81.22.3-17800000115T1413T1413-G1415 PolarHBondContact O-N 3.18Å; T1413-G1415 PolarHBondContact OG1-N 3.34Å
1416R60.9Low71.1Confident205 Ų20561.1 Ų61.177%0.77432%0.321SS*.PPolyproline II helixtrans-71.3142.8170.3-64.6-174.8174.7-168.2-1.1110.3T1385 T1413 N1414T1385-R1416 PolarHBondContact OG1-O 3.28Å; T1413-R1416 VanDerWaalsContact CB-O 3.27Å; T1413-R1416 WeakPolarHBondContact CB-O 3.17Å; T1413-R1416 VanDerWaalsContact O-CB 3.31Å; T1413-R1416 WeakPolarHBondContact O-CB 3.3Å; T1413-R1416 WeakPolarHBondContact O-CG 3.36Å; T1413-R1416 PolarHBondContact O-N 3.43Å; T1413-R1416 PolarHBondContact OG1-O 3.23Å; N1414-R1416 VanDerWaalsContact C-N 3.31Å; N1414-R1416 PolarHBondContact O-N 3.11Å
1417L71.5Confident69.3Low83 Ų8367.9 Ų67.944%0.43536%0.357SS..PPolyproline II helixtrans-67.5134.9172.2-65.5170.6000109.7Q1419 P1536 L1540L1417-Q1419 PolarHBondContact O-N 3.35Å; L1417-P1536 HydrophobicContact CD2-CG 3.94Å; L1417-L1540 HydrophobicContact CD1-CD1 4.24Å; L1417-L1540 HydrophobicContact CD2-CD1 3.71Å
1418F77Confident67.7Low14 Ų1475.1 Ų75.16%0.06139%0.391CS..PPolyproline II helixtrans-56.2132.5173177.9-105.5000111.6W1350 C1383 T1385 I1396 F1398 Y1411 F1420 W1431 F1433W1350-F1418 HydrophobicContact CZ3-CZ 4.4Å; C1383-F1418 HydrophobicContact CB-CD1 4.18Å; C1383-F1418 HydrophobicContact CB-CE1 4.33Å; T1385-F1418 PolarHBondContact OG1-N 3.28Å; I1396-F1418 HydrophobicContact CD1-CB 4.08Å; I1396-F1418 HydrophobicContact CG1-CD2 4.37Å; I1396-F1418 HydrophobicContact CG2-CB 3.84Å; I1396-F1418 HydrophobicContact CG2-CD1 3.63Å; I1396-F1418 HydrophobicContact CG2-CD2 3.77Å; I1396-F1418 HydrophobicContact CG2-CE1 4.12Å; I1396-F1418 HydrophobicContact CG2-CE2 4.25Å; I1396-F1418 HydrophobicContact CG2-CG 3.43Å; I1396-F1418 VanDerWaalsContact CG2-CG 3.43Å; I1396-F1418 HydrophobicContact CG2-CZ 4.41Å; F1398-F1418 HydrophobicContact CE1-CD1 4.46Å; F1398-F1418 AromaticContact CE1-CE1 3.63Å; F1398-F1418 HydrophobicContact CE1-CE1 3.63Å; F1398-F1418 HydrophobicContact CE1-CZ 4Å; F1398-F1418 AromaticContact CZ-CE1 3.83Å; F1398-F1418 HydrophobicContact CZ-CE1 3.83Å; F1398-F1418 AromaticContact CZ-CZ 3.89Å; F1398-F1418 HydrophobicContact CZ-CZ 3.89Å; Y1411-F1418 VanDerWaalsContact OH-CD2 3.26Å; Y1411-F1418 WeakPolarHBondContact OH-CD2 3.5Å; Y1411-F1418 WeakPolarHBondContact OH-CE2 3.46Å; F1418-F1420 HydrophobicContact CE1-CD2 4.04Å; F1418-F1420 AromaticContact CE1-CE2 3.96Å; F1418-F1420 HydrophobicContact CE1-CE2 3.96Å; F1418-F1420 HydrophobicContact CE1-CG 4.41Å; F1418-F1420 HydrophobicContact CE1-CZ 4.24Å; F1418-F1420 HydrophobicContact CZ-CD1 4.43Å; F1418-F1420 HydrophobicContact CZ-CG 4.45Å; F1418-W1431 HydrophobicContact CE2-CE3 4.33Å; F1418-W1431 HydrophobicContact CE2-CZ3 4.26Å; F1418-F1433 AromaticContact CE2-CE1 3.96Å; F1418-F1433 HydrophobicContact CE2-CE1 3.96Å; F1418-F1433 AromaticContact CE2-CZ 3.73Å; F1418-F1433 HydrophobicContact CE2-CZ 3.73Å; F1418-F1433 HydrophobicContact CZ-CE1 4.4Å; F1418-F1433 HydrophobicContact CZ-CZ 4.03Å
1419Q68.7Low66.6Low131 Ų13175.7 Ų75.761%0.61239%0.393SS*.  trans-135.1143.9169.8-67.3-178.7-13.200107.6L1417L1417-Q1419 PolarHBondContact O-N 3.35Å
1420F72.6Confident65.8Low32 Ų3283.9 Ų83.914%0.1443%0.427CS..PPolyproline II helixtrans-63.5141.9170.7-78.8-88.4000109.9R1347 W1350 L1380 C1383 F1398 F1418R1347-F1420 HydrophobicContact CB-CD1 4.07Å; R1347-F1420 HydrophobicContact CB-CE1 3.71Å; R1347-F1420 HydrophobicContact CB-CZ 3.98Å; R1347-F1420 HydrophobicContact CG-CD1 3.87Å; R1347-F1420 HydrophobicContact CG-CD2 4.43Å; R1347-F1420 HydrophobicContact CG-CE1 4.04Å; R1347-F1420 HydrophobicContact CG-CG 4.08Å; R1347-F1420 HydrophobicContact CG-CZ 4.39Å; W1350-F1420 AromaticContact CE3-CD1 3.88Å; W1350-F1420 HydrophobicContact CE3-CD1 3.88Å; W1350-F1420 AromaticContact CE3-CE1 3.82Å; W1350-F1420 HydrophobicContact CE3-CE1 3.82Å; W1350-F1420 AromaticContact CZ3-CD1 3.97Å; W1350-F1420 HydrophobicContact CZ3-CD1 3.97Å; W1350-F1420 AromaticContact CZ3-CE1 4Å; W1350-F1420 HydrophobicContact CZ3-CE1 4Å; L1380-F1420 HydrophobicContact CD2-CE2 3.48Å; L1380-F1420 VanDerWaalsContact CD2-CE2 3.48Å; L1380-F1420 HydrophobicContact CD2-CZ 3.44Å; L1380-F1420 VanDerWaalsContact CD2-CZ 3.44Å; C1383-F1420 VanDerWaalsContact SG-CE2 3.58Å; F1398-F1420 HydrophobicContact CD1-CZ 4.31Å; F1398-F1420 HydrophobicContact CE1-CE1 4.45Å; F1398-F1420 HydrophobicContact CE1-CE2 4.45Å; F1398-F1420 AromaticContact CE1-CZ 3.84Å; F1398-F1420 HydrophobicContact CE1-CZ 3.84Å; F1418-F1420 HydrophobicContact CE1-CD2 4.04Å; F1418-F1420 AromaticContact CE1-CE2 3.96Å; F1418-F1420 HydrophobicContact CE1-CE2 3.96Å; F1418-F1420 HydrophobicContact CE1-CG 4.41Å; F1418-F1420 HydrophobicContact CE1-CZ 4.24Å; F1418-F1420 HydrophobicContact CZ-CD1 4.43Å; F1418-F1420 HydrophobicContact CZ-CG 4.45Å
1421P68.1Low65.8Low13 Ų1383.4 Ų83.48%0.08442%0.419CS..PPolyproline II helixtrans-54.4146167.4-25.335.5000111.5W1350 Q1425 L1426 I1429 W1431W1350-P1421 HydrophobicContact CH2-CG 4.12Å; W1350-P1421 HydrophobicContact CZ2-CG 3.66Å; P1421-Q1425 HydrophobicContact CB-CB 4.1Å; P1421-L1426 HydrophobicContact CB-CD2 4.01Å; P1421-L1426 HydrophobicContact CG-CD2 4.35Å; P1421-I1429 HydrophobicContact CB-CD1 3.95Å; P1421-I1429 HydrophobicContact CG-CB 4.43Å; P1421-I1429 HydrophobicContact CG-CD1 3.88Å; P1421-I1429 HydrophobicContact CG-CG2 4.36Å; P1421-W1431 HydrophobicContact CG-CE3 4.27Å; P1421-W1431 HydrophobicContact CG-CZ3 4Å
1422S55.7Low66Low79 Ų7982.1 Ų82.155%0.55242%0.417SS*.PPolyproline II helixtrans-55.5148.7167.2-640000110N1424 Q1425 L1426S1422-N1424 PolarHBondContact O-N 3.44Å; S1422-Q1425 WeakPolarHBondContact O-CA 3.49Å; S1422-Q1425 PolarHBondContact O-N 3.5Å; S1422-L1426 PolarHBondContact O-N 2.64Å
1423T54.3Low67Low54 Ų5477 Ų7733%0.33139%0.39SS..G310 helixtrans-52.5-36.5-172.7-37.90000113.4M48 Q1425 L1426M48-T1423 HydrophobicContact CG-CG2 4.43Å; M48-T1423 HydrophobicContact SD-CG2 3.5Å; M48-T1423 VanDerWaalsContact SD-CG2 3.5Å; T1423-Q1425 VanDerWaalsContact C-N 3.32Å; T1423-Q1425 PolarHBondContact O-N 2.87Å; T1423-L1426 HydrophobicContact CG2-CD1 3.89Å; T1423-L1426 PolarHBondContact O-N 2.64Å
1424N48.4Very low68.2Low83 Ų8380 Ų8044%0.44440%0.404SS..G310 helixtrans-68.5-22.2177-63.431.1000114.4S1422S1422-N1424 PolarHBondContact O-N 3.44Å
1425Q58.5Low69.5Low89 Ų8975.2 Ų75.242%0.41638%0.378SS..G310 helixtrans-98.1-6.3-178.5-70.1176.6-20.400113.5P1421 S1422 T1423 N1427 E1428 I1429P1421-Q1425 HydrophobicContact CB-CB 4.1Å; S1422-Q1425 WeakPolarHBondContact O-CA 3.49Å; S1422-Q1425 PolarHBondContact O-N 3.5Å; T1423-Q1425 VanDerWaalsContact C-N 3.32Å; T1423-Q1425 PolarHBondContact O-N 2.87Å; Q1425-N1427 PolarHBondContact O-N 3.5Å; Q1425-E1428 PolarHBondContact O-N 3.26Å; Q1425-I1429 HydrophobicContact CB-CD1 4.23Å; Q1425-I1429 PolarHBondContact O-N 3.3Å
1426L57.8Low70.9Confident25 Ų2574.8 Ų74.813%0.13136%0.362CS..THydrogen-bonded Turntrans-57.4-26.7-175-70.6171.3000113.3W1350 R1354 P1421 S1422 T1423W1350-L1426 HydrophobicContact CB-CD2 4.48Å; W1350-L1426 VanDerWaalsContact CD1-CD2 3.45Å; W1350-L1426 HydrophobicContact CD2-CD2 4.03Å; W1350-L1426 HydrophobicContact CG-CD2 3.77Å; W1350-L1426 PolarHBondContact NE1-O 2.97Å; R1354-L1426 PolarHBondContact NH2-O 2.9Å; P1421-L1426 HydrophobicContact CB-CD2 4.01Å; P1421-L1426 HydrophobicContact CG-CD2 4.35Å; S1422-L1426 PolarHBondContact O-N 2.64Å; T1423-L1426 HydrophobicContact CG2-CD1 3.89Å; T1423-L1426 PolarHBondContact O-N 2.64Å
1427N57.5Low72.2Confident150 Ų15071 Ų7180%0.80235%0.351SS*.THydrogen-bonded Turntrans-90.8-28.8-179.2-69-11.7000114.1Q1425Q1425-N1427 PolarHBondContact O-N 3.5Å
1428E61.1Low73Confident152 Ų15273.7 Ų73.771%0.7136%0.361SS*.THydrogen-bonded Turntrans-75.9-31-179.3-62.2-179.1155.500112Q1425 K1430Q1425-E1428 PolarHBondContact O-N 3.26Å; E1428-K1430 PolarHBondContact O-N 3.47Å
1429I66.9Low73.6Confident34 Ų3473.6 Ų73.617%0.17436%0.362CS..  trans-86.9111.5-170.2-65.3-173.7000111.6R1354 P1421 Q1425 W1431R1354-I1429 PolarHBondContact NE-O 3.35Å; R1354-I1429 PolarHBondContact NH2-O 3.31Å; P1421-I1429 HydrophobicContact CB-CD1 3.95Å; P1421-I1429 HydrophobicContact CG-CB 4.43Å; P1421-I1429 HydrophobicContact CG-CD1 3.88Å; P1421-I1429 HydrophobicContact CG-CG2 4.36Å; Q1425-I1429 HydrophobicContact CB-CD1 4.23Å; Q1425-I1429 PolarHBondContact O-N 3.3Å; I1429-W1431 HydrophobicContact CD1-CZ2 4.41Å; I1429-W1431 HydrophobicContact CG2-CB 3.87Å; I1429-W1431 HydrophobicContact CG2-CD2 3.25Å; I1429-W1431 VanDerWaalsContact CG2-CE2 3.49Å; I1429-W1431 HydrophobicContact CG2-CE3 3.81Å; I1429-W1431 HydrophobicContact CG2-CG 3.27Å; I1429-W1431 HydrophobicContact CG2-CZ2 4.18Å; I1429-W1431 HydrophobicContact CG2-CZ3 4.46Å; I1429-W1431 PolarHBondContact O-N 3.04Å
1430K73.5Confident74.7Confident187 Ų18768 Ų6881%0.81334%0.336SS*.  trans-83.927.4177.6-60.7-174179.8-1790114.3N1410 E1428N1410-K1430 PolarHBondContact ND2-O 3.03Å; E1428-K1430 PolarHBondContact O-N 3.47Å
1431W85.2Confident75.5Confident75 Ų7567 Ų6728%0.28433%0.334SS..  trans-64.5135.2172.8-65.8-11.7000110.1W1350 R1354 N1410 Y1411 F1418 P1421 I1429 F1433W1350-W1431 HydrophobicContact CH2-CE3 4.15Å; R1354-W1431 WeakPolarHBondContact CD-O 3.43Å; R1354-W1431 VanDerWaalsContact CG-O 3.3Å; R1354-W1431 WeakPolarHBondContact CG-O 3.44Å; N1410-W1431 WeakPolarHBondContact OD1-CA 3.23Å; Y1411-W1431 HydrophobicContact CD1-CB 3.83Å; Y1411-W1431 AromaticContact CD1-CD1 3.44Å; Y1411-W1431 VanDerWaalsContact CD1-CD1 3.44Å; Y1411-W1431 HydrophobicContact CD1-CD2 4.04Å; Y1411-W1431 AromaticContact CD1-CG 3.49Å; Y1411-W1431 HydrophobicContact CD1-CG 3.49Å; Y1411-W1431 VanDerWaalsContact CD1-CG 3.49Å; Y1411-W1431 AromaticContact CD1-NE1 3.97Å; Y1411-W1431 HydrophobicContact CD2-CD2 4.49Å; Y1411-W1431 AromaticContact CD2-NE1 3.97Å; Y1411-W1431 HydrophobicContact CE1-CB 3.62Å; Y1411-W1431 AromaticContact CE1-CD1 3.82Å; Y1411-W1431 AromaticContact CE1-CD2 3.61Å; Y1411-W1431 HydrophobicContact CE1-CD2 3.61Å; Y1411-W1431 HydrophobicContact CE1-CE3 4.06Å; Y1411-W1431 AromaticContact CE1-CG 3.39Å; Y1411-W1431 HydrophobicContact CE1-CG 3.39Å; Y1411-W1431 HydrophobicContact CE2-CD2 4.07Å; Y1411-W1431 AromaticContact CE2-CE2 3.95Å; Y1411-W1431 HydrophobicContact CE2-CE3 4.42Å; Y1411-W1431 HydrophobicContact CE2-CZ2 4.25Å; Y1411-W1431 AromaticContact CG-CD1 3.71Å; Y1411-W1431 HydrophobicContact CG-CD2 4.48Å; Y1411-W1431 HydrophobicContact CG-CG 4.15Å; Y1411-W1431 AromaticContact CG-NE1 3.83Å; Y1411-W1431 AromaticContact CZ-CD2 3.61Å; Y1411-W1431 AromaticContact CZ-CE3 3.78Å; Y1411-W1431 AromaticContact CZ-CG 3.94Å; F1418-W1431 HydrophobicContact CE2-CE3 4.33Å; F1418-W1431 HydrophobicContact CE2-CZ3 4.26Å; P1421-W1431 HydrophobicContact CG-CE3 4.27Å; P1421-W1431 HydrophobicContact CG-CZ3 4Å; I1429-W1431 HydrophobicContact CD1-CZ2 4.41Å; I1429-W1431 HydrophobicContact CG2-CB 3.87Å; I1429-W1431 HydrophobicContact CG2-CD2 3.25Å; I1429-W1431 VanDerWaalsContact CG2-CE2 3.49Å; I1429-W1431 HydrophobicContact CG2-CE3 3.81Å; I1429-W1431 HydrophobicContact CG2-CG 3.27Å; I1429-W1431 HydrophobicContact CG2-CZ2 4.18Å; I1429-W1431 HydrophobicContact CG2-CZ3 4.46Å; I1429-W1431 PolarHBondContact O-N 3.04Å; W1431-F1433 HydrophobicContact CB-CZ 4.44Å
1432S87.2Confident76.5Confident19 Ų1966.4 Ų66.413%0.13333%0.33CS..  trans-131.3153.8171.771.30000111R1354 I1356 N1410R1354-S1432 WeakPolarHBondContact O-CA 3.25Å; R1354-S1432 WeakPolarHBondContact O-CB 3.13Å; I1356-S1432 WeakPolarHBondContact CD1-OG 3.04Å; N1410-S1432 WeakPolarHBondContact CB-OG 3.42Å; N1410-S1432 VanDerWaalsContact CG-N 3.32Å; N1410-S1432 VanDerWaalsContact CG-OG 3.23Å; N1410-S1432 PolarHBondContact N-O 3.05Å; N1410-S1432 PolarHBondContact ND2-OG 2.91Å; N1410-S1432 VanDerWaalsContact ND2-OG 3.13Å; N1410-S1432 PolarHBondContact OD1-N 3.19Å; N1410-S1432 PolarHBondContact OD1-O 3.4Å
1433F91.3Very high77.9Confident0 Ų067 Ų670%033%0.328CS..EExtended strand (participates in β ladder)trans-123.6108-170.1-59.7-81.1000108.4W1350 F1351 R1354 L1355 I1356 I1396 F1398 T1407 Y1411 F1418 W1431W1350-F1433 AromaticContact CH2-CE2 3.61Å; W1350-F1433 HydrophobicContact CH2-CE2 3.61Å; W1350-F1433 AromaticContact CH2-CZ 3.84Å; W1350-F1433 HydrophobicContact CH2-CZ 3.84Å; W1350-F1433 AromaticContact CZ3-CE2 3.51Å; W1350-F1433 HydrophobicContact CZ3-CE2 3.51Å; W1350-F1433 AromaticContact CZ3-CZ 3.89Å; W1350-F1433 HydrophobicContact CZ3-CZ 3.89Å; F1351-F1433 HydrophobicContact CD2-CD2 4.07Å; F1351-F1433 HydrophobicContact CD2-CG 4.37Å; F1351-F1433 HydrophobicContact CE2-CB 4.11Å; F1351-F1433 HydrophobicContact CE2-CD2 4.35Å; F1351-F1433 HydrophobicContact CE2-CG 4.2Å; R1354-F1433 HydrophobicContact CB-CD2 4.06Å; R1354-F1433 HydrophobicContact CB-CE2 4.39Å; R1354-F1433 PolarHBondContact O-N 3.44Å; L1355-F1433 CarbonylContact C-O 3.55Å; L1355-F1433 WeakPolarHBondContact CA-O 3.47Å; L1355-F1433 HydrophobicContact CD1-CB 4.4Å; L1355-F1433 WeakPolarHBondContact CD1-O 3.4Å; I1356-F1433 PolarHBondContact N-O 2.78Å; I1396-F1433 HydrophobicContact CB-CD1 4.23Å; I1396-F1433 HydrophobicContact CB-CE1 4.15Å; I1396-F1433 HydrophobicContact CG1-CD1 4.38Å; I1396-F1433 HydrophobicContact CG1-CE1 4.07Å; I1396-F1433 HydrophobicContact CG2-CE1 4.2Å; F1398-F1433 AromaticContact CE2-CD1 3.95Å; F1398-F1433 HydrophobicContact CE2-CD1 3.95Å; F1398-F1433 HydrophobicContact CE2-CE1 4.2Å; F1398-F1433 HydrophobicContact CE2-CG 4.36Å; F1398-F1433 HydrophobicContact CZ-CD1 4.1Å; F1398-F1433 AromaticContact CZ-CE1 3.92Å; F1398-F1433 HydrophobicContact CZ-CE1 3.92Å; F1398-F1433 HydrophobicContact CZ-CG 4.5Å; F1398-F1433 HydrophobicContact CZ-CZ 4.19Å; T1407-F1433 HydrophobicContact CG2-CB 4.06Å; Y1411-F1433 HydrophobicContact CE1-CE1 4.2Å; Y1411-F1433 HydrophobicContact CE1-CZ 4.4Å; F1418-F1433 AromaticContact CE2-CE1 3.96Å; F1418-F1433 HydrophobicContact CE2-CE1 3.96Å; F1418-F1433 AromaticContact CE2-CZ 3.73Å; F1418-F1433 HydrophobicContact CE2-CZ 3.73Å; F1418-F1433 HydrophobicContact CZ-CE1 4.4Å; F1418-F1433 HydrophobicContact CZ-CZ 4.03Å; W1431-F1433 HydrophobicContact CB-CZ 4.44Å
1434I92.1Very high79.4Confident78 Ų7869.2 Ų69.240%0.433%0.334SS..EExtended strand (participates in β ladder)trans-83.6120.3179.5-56.6173.8000108.3I1356 T1407 T1408 Y1436I1356-I1434 HydrophobicContact CB-CG1 4.35Å; I1356-I1434 WeakPolarHBondContact O-CA 3.37Å; T1407-I1434 CarbonylContact C-O 3.48Å; T1407-I1434 VanDerWaalsContact CA-O 3.27Å; T1407-I1434 WeakPolarHBondContact CA-O 3.46Å; T1408-I1434 PolarHBondContact N-O 2.94Å; T1408-I1434 PolarHBondContact O-N 3Å; I1434-Y1436 PolarHBondContact O-N 3.47Å
1435L92.7Very high81.3Confident28 Ų2865.4 Ų65.415%0.14731%0.314CS..EExtended strand (participates in β ladder)trans-57.6129.3-179.1-177.261.5000111.4L1355 I1356 G1357 A1358 L1362 I1405 K1437L1355-L1435 HydrophobicContact CD1-CB 4.25Å; I1356-L1435 PolarHBondContact O-N 2.79Å; G1357-L1435 WeakPolarHBondContact O-CD2 3.39Å; A1358-L1435 HydrophobicContact CB-CD2 4.22Å; L1362-L1435 HydrophobicContact CD2-CD2 4.14Å; I1405-L1435 HydrophobicContact CG2-CD1 3.5Å; I1405-L1435 VanDerWaalsContact CG2-CD1 3.5Å; L1435-K1437 WeakPolarHBondContact CD1-O 3.45Å; L1435-K1437 VanDerWaalsContact CG-O 3.27Å; L1435-K1437 WeakPolarHBondContact CG-O 3.27Å
1436Y89.1Confident82.7Confident40 Ų4066 Ų6616%0.15731%0.313CS..  trans-103.394176.2-176.1-101.2000110.9K1388 F1395 L1406 I1434K1388-Y1436 PolarHBondContact NZ-OH 2.74Å; F1395-Y1436 HydrophobicContact CD1-CG 4.36Å; F1395-Y1436 AromaticContact CE1-CD1 3.78Å; F1395-Y1436 HydrophobicContact CE1-CD1 3.78Å; F1395-Y1436 AromaticContact CE1-CD2 3.65Å; F1395-Y1436 HydrophobicContact CE1-CD2 3.65Å; F1395-Y1436 HydrophobicContact CE1-CE1 4.35Å; F1395-Y1436 HydrophobicContact CE1-CE2 4.24Å; F1395-Y1436 AromaticContact CE1-CG 3.41Å; F1395-Y1436 HydrophobicContact CE1-CG 3.41Å; F1395-Y1436 VanDerWaalsContact CE1-CG 3.41Å; F1395-Y1436 HydrophobicContact CE2-CD1 4.02Å; F1395-Y1436 HydrophobicContact CE2-CE1 4.15Å; F1395-Y1436 HydrophobicContact CE2-CG 4.49Å; F1395-Y1436 AromaticContact CZ-CD1 3.37Å; F1395-Y1436 HydrophobicContact CZ-CD1 3.37Å; F1395-Y1436 AromaticContact CZ-CD2 3.75Å; F1395-Y1436 HydrophobicContact CZ-CD2 3.75Å; F1395-Y1436 AromaticContact CZ-CE1 3.55Å; F1395-Y1436 HydrophobicContact CZ-CE1 3.55Å; F1395-Y1436 AromaticContact CZ-CE2 3.94Å; F1395-Y1436 HydrophobicContact CZ-CE2 3.94Å; F1395-Y1436 AromaticContact CZ-CG 3.49Å; F1395-Y1436 HydrophobicContact CZ-CG 3.49Å; F1395-Y1436 VanDerWaalsContact CZ-CG 3.49Å; F1395-Y1436 AromaticContact CZ-CZ 3.85Å; L1406-Y1436 HydrophobicContact CB-CD1 4.25Å; L1406-Y1436 HydrophobicContact CD1-CD1 4.2Å; L1406-Y1436 WeakPolarHBondContact O-CB 3.48Å; L1406-Y1436 PolarHBondContact O-N 2.85Å; I1434-Y1436 PolarHBondContact O-N 3.47Å
1437K87.7Confident84.1Confident126 Ų12665.3 Ų65.355%0.54831%0.31SS..SBendtrans63.1179.1-173.5-57.5-173.8168.1-166.40113.4L1435L1435-K1437 WeakPolarHBondContact CD1-O 3.45Å; L1435-K1437 VanDerWaalsContact CG-O 3.27Å; L1435-K1437 WeakPolarHBondContact CG-O 3.27Å
1438E87.1Confident85.4Confident138 Ų13862.9 Ų62.965%0.64529%0.292SS*.SBendtrans-52.214217361.8-174.9179.500112.7L1440E1438-L1440 PolarHBondContact O-N 2.99Å
1439P90.9Very high86.5Confident13 Ų1359.8 Ų59.88%0.08428%0.276CS..  trans-55.9130.4169.9-26.335.6000112.2W1361 L1362 Y1403 I1405 A1441W1361-P1439 HydrophobicContact CH2-CB 4.29Å; W1361-P1439 HydrophobicContact CH2-CG 3.96Å; W1361-P1439 HydrophobicContact CZ2-CG 4.07Å; L1362-P1439 HydrophobicContact CD1-CB 4.41Å; L1362-P1439 HydrophobicContact CD1-CG 3.77Å; L1362-P1439 HydrophobicContact CD2-CG 3.44Å; L1362-P1439 VanDerWaalsContact CD2-CG 3.44Å; L1362-P1439 HydrophobicContact CG-CG 4.17Å; Y1403-P1439 HydrophobicContact CD1-CB 3.99Å; Y1403-P1439 HydrophobicContact CG-CB 4.29Å; I1405-P1439 HydrophobicContact CG1-CB 4.23Å; P1439-A1441 PolarHBondContact O-N 3.08Å
1440L91.6Very high86.9Confident12 Ų1259 Ų596%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-84.2102-176.7-56.9-177.4000110.4Y1403 L1404 L1406 E1438 L1442 I1445 L1520 I1530Y1403-L1440 WeakPolarHBondContact CA-O 3.41Å; L1404-L1440 HydrophobicContact CB-CB 4.29Å; L1404-L1440 HydrophobicContact CD2-CD1 4.45Å; L1404-L1440 PolarHBondContact N-O 2.78Å; L1404-L1440 PolarHBondContact O-N 3.45Å; L1406-L1440 HydrophobicContact CD1-CD1 4.11Å; E1438-L1440 PolarHBondContact O-N 2.99Å; L1440-L1442 PolarHBondContact O-N 3.26Å; L1440-I1445 HydrophobicContact CB-CD1 4.2Å; L1440-I1445 HydrophobicContact CB-CG2 4.26Å; L1440-L1520 HydrophobicContact CD1-CD1 3.87Å; L1440-I1530 HydrophobicContact CD1-CG2 4.01Å; L1440-I1530 HydrophobicContact CD2-CD1 4.47Å; L1440-I1530 HydrophobicContact CD2-CG2 3.77Å
1441A89.6Confident86.5Confident12 Ų1252.4 Ų52.410%0.09926%0.257CS..EExtended strand (participates in β ladder)trans-59.3123176.200000111.2Y1403 P1439 N1443 Q1444 I1445Y1403-A1441 HydrophobicContact CD1-CB 3.92Å; Y1403-A1441 HydrophobicContact CE1-CB 3.78Å; P1439-A1441 PolarHBondContact O-N 3.08Å; A1441-N1443 VanDerWaalsContact C-N 3.27Å; A1441-N1443 WeakPolarHBondContact CB-OD1 3.45Å; A1441-N1443 PolarHBondContact O-N 3.39Å; A1441-Q1444 HydrophobicContact CB-CB 4.29Å; A1441-Q1444 HydrophobicContact CB-CG 4.04Å; A1441-Q1444 PolarHBondContact O-N 2.72Å; A1441-I1445 PolarHBondContact O-N 3.3Å
1442L88.8Confident85Confident1 Ų152.4 Ų52.41%0.00527%0.265CS..G310 helixtrans-64.1-32.7-171.7-63.6-171.9000113L1399 F1400 K1402 L1404 L1440 Q1444 I1445 Q1551 I1552L1399-L1442 HydrophobicContact CD1-CD1 3.8Å; L1399-L1442 HydrophobicContact CD1-CD2 3.7Å; L1399-L1442 HydrophobicContact CD1-CG 4.31Å; F1400-L1442 WeakPolarHBondContact O-CD1 3.28Å; K1402-L1442 PolarHBondContact O-N 2.73Å; L1404-L1442 HydrophobicContact CB-CD2 3.99Å; L1440-L1442 PolarHBondContact O-N 3.26Å; L1442-Q1444 PolarHBondContact O-N 3.16Å; L1442-I1445 HydrophobicContact CD2-CD1 3.94Å; L1442-I1445 HydrophobicContact CD2-CG1 4.47Å; L1442-I1445 PolarHBondContact O-N 3.43Å; L1442-Q1551 HydrophobicContact CD1-CB 3.58Å; L1442-I1552 HydrophobicContact CB-CG1 4.18Å; L1442-I1552 HydrophobicContact CD2-CG1 4.31Å
1443N84.4Confident82.8Confident92 Ų9261.4 Ų61.449%0.49230%0.296SS..G310 helixtrans-69.1-15.4174.865-5.8000113.6A1441 R1523A1441-N1443 VanDerWaalsContact C-N 3.27Å; A1441-N1443 WeakPolarHBondContact CB-OD1 3.45Å; A1441-N1443 PolarHBondContact O-N 3.39Å; N1443-R1523 WeakPolarHBondContact O-CD 2.98Å; N1443-R1523 PolarHBondContact O-NH1 3.45Å
1444Q85.8Confident80Confident100 Ų10069 Ų6947%0.46733%0.332SS..G310 helixtrans-100.2-6.9178.5-62.3-170.324.100114.2A1441 L1442 K1522 R1523A1441-Q1444 HydrophobicContact CB-CB 4.29Å; A1441-Q1444 HydrophobicContact CB-CG 4.04Å; A1441-Q1444 PolarHBondContact O-N 2.72Å; L1442-Q1444 PolarHBondContact O-N 3.16Å; Q1444-K1522 CarbonylContact O-C 3.54Å; Q1444-R1523 WeakPolarHBondContact O-CB 3.43Å; Q1444-R1523 PolarHBondContact O-N 3.12Å
1445I88.8Confident76.9Confident3 Ų372.3 Ų72.32%0.01535%0.35CS..EExtended strand (participates in β ladder)trans-117.6164.2-17666172.9000113.7L1440 A1441 L1442 F1521 R1523 I1530 I1552L1440-I1445 HydrophobicContact CB-CD1 4.2Å; L1440-I1445 HydrophobicContact CB-CG2 4.26Å; A1441-I1445 PolarHBondContact O-N 3.3Å; L1442-I1445 HydrophobicContact CD2-CD1 3.94Å; L1442-I1445 HydrophobicContact CD2-CG1 4.47Å; L1442-I1445 PolarHBondContact O-N 3.43Å; I1445-F1521 CarbonylContact C-O 3.47Å; I1445-F1521 WeakPolarHBondContact CA-O 3.28Å; I1445-F1521 WeakPolarHBondContact CB-O 3.48Å; I1445-R1523 PolarHBondContact O-NE 3.47Å; I1445-I1530 HydrophobicContact CG2-CD1 3.66Å; I1445-I1552 HydrophobicContact CD1-CD1 4.26Å; I1445-I1552 HydrophobicContact CG1-CD1 3.92Å; I1445-I1552 HydrophobicContact CG1-CG1 4.22Å
1446Y87.2Confident73.8Confident101 Ų10175.7 Ų75.740%0.39638%0.376SS..EExtended strand (participates in β ladder)trans-138158.6163.368.1-88.6000110.5F1521 R1523Y1446-F1521 HydrophobicContact CD1-CB 3.81Å; Y1446-F1521 HydrophobicContact CD2-CB 4.09Å; Y1446-F1521 HydrophobicContact CD2-CD2 4.33Å; Y1446-F1521 HydrophobicContact CE1-CB 3.3Å; Y1446-F1521 HydrophobicContact CE1-CG 4.26Å; Y1446-F1521 HydrophobicContact CE2-CB 3.61Å; Y1446-F1521 AromaticContact CE2-CD2 3.73Å; Y1446-F1521 HydrophobicContact CE2-CD2 3.73Å; Y1446-F1521 AromaticContact CE2-CG 3.82Å; Y1446-F1521 HydrophobicContact CE2-CG 3.82Å; Y1446-F1521 HydrophobicContact CG-CB 4.18Å; Y1446-F1521 AromaticContact CZ-CG 3.65Å; Y1446-F1521 PolarHBondContact N-O 3.45Å; Y1446-F1521 PolarHBondContact O-N 3.08Å; Y1446-F1521 WeakPolarHBondContact OH-CB 3.43Å; Y1446-R1523 HydrophobicContact CD1-CG 4.11Å
1447V88.1Confident70.9Confident11 Ų1182.2 Ų82.27%0.06741%0.408CS..EExtended strand (participates in β ladder)trans-120.6131.5-175.360.80000112.3F1518 L1520 V1545 L1548 R1549 I1552V1447-F1518 HydrophobicContact CG2-CB 4.39Å; V1447-F1518 HydrophobicContact CG2-CD2 3.68Å; V1447-F1518 HydrophobicContact CG2-CE2 4.34Å; V1447-F1518 HydrophobicContact CG2-CG 4.39Å; V1447-L1520 HydrophobicContact CB-CD2 3.7Å; V1447-L1520 HydrophobicContact CG2-CD2 3.73Å; V1447-V1545 HydrophobicContact CG1-CG1 4.47Å; V1447-V1545 HydrophobicContact CG2-CG1 4.43Å; V1447-V1545 HydrophobicContact CG2-CG2 4.03Å; V1447-L1548 HydrophobicContact CB-CB 4.47Å; V1447-L1548 HydrophobicContact CG1-CB 3.98Å; V1447-L1548 HydrophobicContact CG2-CD1 4.34Å; V1447-R1549 HydrophobicContact CG1-CG 3.49Å; V1447-R1549 VanDerWaalsContact CG1-CG 3.49Å; V1447-I1552 HydrophobicContact CG1-CD1 4.26Å
1448F84.9Confident68Low99 Ų9981.8 Ų81.843%0.43442%0.42SS..EExtended strand (participates in β ladder)trans-118.6133.4180179.9-96.9000109.8V1452 F1518 S1519 F1521F1448-V1452 HydrophobicContact CE1-CG2 4.46Å; F1448-F1518 CarbonylContact O-C 3.53Å; F1448-F1518 VanDerWaalsContact O-CA 3.22Å; F1448-F1518 WeakPolarHBondContact O-CA 3.46Å; F1448-F1518 VanDerWaalsContact O-CB 3.28Å; F1448-F1518 WeakPolarHBondContact O-CB 3.39Å; F1448-S1519 PolarHBondContact N-O 3.43Å; F1448-S1519 PolarHBondContact O-N 3.22Å; F1448-F1521 HydrophobicContact CB-CD2 4.27Å; F1448-F1521 HydrophobicContact CB-CE2 3.89Å
1449K83Confident65.2Low86 Ų8681.2 Ų81.237%0.37443%0.427SS..EExtended strand (participates in β ladder)trans-85.6125.7174.9-172.7-178-178.9-178.80108.7D1542 V1545K1449-D1542 WeakPolarHBondContact CD-OD1 3.34Å; K1449-D1542 VanDerWaalsContact CE-OD1 3.27Å; K1449-D1542 WeakPolarHBondContact CE-OD1 3.46Å; K1449-D1542 IonicContact NZ-OD1 2.74Å; K1449-D1542 PolarHBondContact NZ-OD1 2.8Å; K1449-D1542 IonicContact NZ-OD2 3.66Å; K1449-D1542 PolarHBondContact NZ-OD2 3.23Å; K1449-V1545 HydrophobicContact CB-CG2 4.4Å
1450G76.8Confident62.1Low17 Ų1786 Ų8618%0.17546%0.461CS..SBendtrans108.2170.2-170.900000113.3V1517 S1519G1450-V1517 WeakPolarHBondContact CA-O 3.46Å; G1450-V1517 PolarHBondContact N-O 3.16Å; G1450-S1519 PolarHBondContact O-OG 3.45Å
1451A63.6Low59.1Low49 Ų4990.5 Ų90.541%0.40549%0.493SS..  trans-105.6134.3173.100000110.3R1453 V1517 T1532A1451-R1453 PolarHBondContact O-N 3.1Å; A1451-V1517 HydrophobicContact CB-CG1 4.01Å; A1451-T1532 HydrophobicContact CB-CG2 4.16Å
1452V53.8Low56.3Low76 Ų7695.6 Ų95.646%0.46152%0.522SS..  trans-76119.9174.3173.40000109.8F1448 Q1454 F1521F1448-V1452 HydrophobicContact CE1-CG2 4.46Å; V1452-Q1454 PolarHBondContact O-N 3.1Å; V1452-F1521 HydrophobicContact CB-CZ 4.46Å; V1452-F1521 HydrophobicContact CG2-CE2 4.44Å; V1452-F1521 HydrophobicContact CG2-CZ 3.66Å
1453R40.7Very low53.3Low208 Ų208104.1 Ų104.179%0.78556%0.56SS**  trans-72.6122.9171.3-68.2-176.6177.9-176.9-0.2109.2A1451 N1455A1451-R1453 PolarHBondContact O-N 3.1Å; R1453-N1455 PolarHBondContact O-N 3.16Å
1454Q34Very low50.6Low160 Ų160105.7 Ų105.775%0.74858%0.578SS**  trans-80.391.4162.9-74.7-174.7-22.100108.7V1452V1452-Q1454 PolarHBondContact O-N 3.1Å
1455N27.1Very low47.8Very low147 Ų147104.6 Ų104.679%0.78658%0.582SS**  trans-97.1124.7152.5-81.822.9000107.1R1453R1453-N1455 PolarHBondContact O-N 3.16Å
1456S27.3Very low44.9Very low98 Ų98115.3 Ų115.369%0.68562%0.623SS**  trans-69.8155165.543.90000110.5
1457E27.2Very low41.8Very low178 Ų178115 Ų11583%0.83264%0.636SS**  trans70.8151.7169.2-64.1155-17100116.3
1458S28.1Very low39Very low116 Ų116120.4 Ų120.481%0.81166%0.663SS**  trans75.862-176.8-49.20000117.4
1459T26.7Very low36.2Very low126 Ų126119 Ų11977%0.77366%0.663SS**  trans6.1130.5137.750.70000120.7
1460S26.1Very low33.5Very low115 Ų115120.6 Ų120.680%0.80468%0.682SS**SBendtrans54.695.7145.161.60000120.2
1461S28.9Very low31.1Very low105 Ų105128.3 Ų128.373%0.73471%0.713SS**SBendtrans-173.1-29.9148.845.50000115.1F1463S1461-F1463 PolarHBondContact O-N 3.11Å
1462V30Very low29.6Very low119 Ų119131.7 Ų131.772%0.72173%0.734SS**THydrogen-bonded Turntrans-89-0.9-156.8-168.70000116
1463F27.5Very low28.2Very low181 Ų181132.5 Ų132.579%0.79475%0.749SS**THydrogen-bonded Turntrans-99.712-173.2-98.4-81.1000116.5S1461 W1527S1461-F1463 PolarHBondContact O-N 3.11Å; F1463-W1527 HydrophobicContact CE2-CZ3 4.46Å
1464S26.7Very low27.7Very low125 Ų125128 Ų12887%0.87475%0.747SS**SBendtrans-108.916.8-178.5-65.20000115.5
1465S27.7Very low27.3Very low77 Ų77130.5 Ų130.554%0.53875%0.751SS.*  trans-125.2156.4175.556.30000112
1466Y27.1Very low27.4Very low228 Ų228130.8 Ų130.889%0.89475%0.752SS**  trans80.749.4-171.7-52-73.1000117
1467S23.3Very low27.4Very low94 Ų94135.3 Ų135.366%0.65776%0.76SS**  -102.6-172.2127.356.40000108.8
1468I28.2Very low27.6Very low124 Ų124131.7 Ų131.764%0.63675%0.751SS**  trans81.493.9-174.9-52165.5000111.9L1578I1468-L1578 HydrophobicContact CD1-CD2 4.09Å; I1468-L1578 HydrophobicContact CG1-CD1 4.1Å; I1468-L1578 HydrophobicContact CG1-CD2 3.8Å
1469T26.5Very low27.6Very low71 Ų71131.3 Ų131.344%0.43674%0.744SS.*  69.2133.574.962.70000115.8H1576T1469-H1576 HydrophobicContact CG2-CB 3.88Å
1470P26.2Very low27.8Very low118 Ų118131.1 Ų131.177%0.76674%0.738SS**  trans-95.8166.7178.938.3-35.1000114.2
1471Q26.4Very low28Very low179 Ų179131.4 Ų131.484%0.83673%0.731SS**  trans99.4150.7164.4-63.3-167.9-23.400119.8
1472S31.6Very low27.8Very low120 Ų120134.1 Ų134.184%0.83973%0.732SS**  trans87.7106.2172.366.30000120
1473A25.6Very low28Very low94 Ų94136.7 Ų136.778%0.77774%0.741SS**  trans-13.2169.5145.800000119.8
1474P30.5Very low28Very low114 Ų114131.7 Ų131.774%0.7473%0.725SS**  cis-143.4177.522.542.7-22.7000119.4
1475Y24Very low28.1Very low211 Ų211136.9 Ų136.983%0.82773%0.725SS**  trans-7.4124.5155.5-78.5-105.8000118.6
1476N30.6Very low28.1Very low153 Ų153137.9 Ų137.982%0.81873%0.732SS**  -17915597.3-97.3-45.6000115.4
1477K26.6Very low28.2Very low194 Ų194133.1 Ų133.184%0.84373%0.727SS**  trans-55.5175.4164.1-94.5177.6-179.5178.10113.4
1478P31.4Very low28.5Very low101 Ų101133.5 Ų133.566%0.65673%0.729SS**  cis-142.8-168.95.926.70.3000116.7
1479T29Very low28.4Very low108 Ų108133.6 Ų133.666%0.66374%0.736SS**  trans74.9115135.546.20000122.8
1480N28.9Very low28.4Very low122 Ų122135.2 Ų135.265%0.65275%0.751SS**  91.1125.5118.4-73.540.3000122.8
1481D30.4Very low28.6Very low122 Ų122135.3 Ų135.365%0.65275%0.749SS**  73.9120.1129.2-52.5-18000122
1482E26.5Very low28.7Very low161 Ų161133.7 Ų133.775%0.75275%0.745SS**  trans42.9110.1131.8-58-168.1115.400120V1484E1482-V1484 HydrophobicContact CB-CG2 4.15Å
1483L32.4Very low28.5Very low174 Ų174132.9 Ų132.991%0.91174%0.735SS**  -163.696.7124.6-98.3154.6000107.2
1484V27.8Very low28.5Very low75 Ų75136.9 Ų136.946%0.45574%0.738SS.*  78.5115.357.6177.40000113E1482E1482-V1484 HydrophobicContact CB-CG2 4.15Å
1485R29Very low28.4Very low234 Ų234136.7 Ų136.788%0.88374%0.739SS**  trans67.2155.6158.4-70.5167.8-162.7154.83.2116.4
1486S27.1Very low28.6Very low98 Ų98132.3 Ų132.369%0.68573%0.734SS**  cis-173.4-171-10.547.10000109.2
1487V30.8Very low28.4Very low128 Ų128132.5 Ų132.578%0.77673%0.731SS**  trans81.699.6171.3-164.50000113.2
1488S29.6Very low28.5Very low102 Ų102129.5 Ų129.571%0.71372%0.724SS**  cis97.8102.443.9-64.20000113.5
1489T25.4Very low28.4Very low126 Ų126129.3 Ų129.377%0.77373%0.725SS**  trans29.7155.1134.951.30000123.4
1490S27.4Very low28.6Very low106 Ų106130.6 Ų130.674%0.74173%0.728SS**  trans72.7144.4163.934.60000116.7
1491T29.9Very low28.5Very low119 Ų119132.2 Ų132.273%0.7373%0.733SS**  cis-161.11646.65.60000110.1
1492L28.2Very low28.4Very low146 Ų146133.1 Ų133.176%0.76474%0.738SS**  trans21155.8149.1-77.697.3000122.5
1493T26.6Very low28.4Very low102 Ų102133.2 Ų133.263%0.62674%0.742SS**  cis-173.7147.4-20.326.10000108.2
1494E25.4Very low28.4Very low179 Ų179135.2 Ų135.284%0.83674%0.737SS**  trans54.8162.2143.5-64-174.6149.600124.3
1495S29.8Very low28.4Very low109 Ų109138 Ų13876%0.76276%0.758SS**  trans9584.415768.60000121.4
1496T27.5Very low28.1Very low119 Ų119135.9 Ų135.973%0.7376%0.759SS**  57.4117.6119.552.20000123.8
1497E27.1Very low28.1Very low158 Ų158136.3 Ų136.374%0.73876%0.761SS**  90.8125.8119.7-75.9-170.3-155.700125
1498N27.5Very low27.8Very low131 Ų131139.1 Ų139.170%0.70177%0.766SS**  trans96.7131.6135.8-69.4-27.3000123.8
1499S29.1Very low27.6Very low96 Ų96141.4 Ų141.467%0.67177%0.769SS**  trans72.6106.1159.771.10000119.8
1500N33.2Very low27.7Very low136 Ų136139.3 Ų139.373%0.72776%0.756SS**  177.314093.6-93.8-56.9000115.7
1501M28.5Very low27.7Very low156 Ų156143.8 Ų143.877%0.76876%0.762SS**  trans62.7109.8145.1-60.3-72.9-171.200122.3
1502N27.2Very low28.1Very low141 Ų141144 Ų14475%0.75475%0.75SS**  trans92.5120.4133.2-92.8-22.3000123.7
1503I27.1Very low28.9Very low163 Ų163140 Ų14084%0.83673%0.734SS**  trans60.174.3156.9-40.2171.4000116.5
1504R33.3Very low30.3Very low216 Ų216139.6 Ų139.682%0.81573%0.732SS**  trans-150.688168.8-154168.6-171165.62.8114.9Q1506R1504-Q1506 PolarHBondContact O-N 3.14Å
1505C27.3Very low32.3Very low132 Ų132134 Ų13489%0.89271%0.71SS**  trans-66.7122.3164.4-66.60000109.7
1506Q22.3Very low34.8Very low191 Ų191129.9 Ų129.989%0.89368%0.679SS**  trans-76.7134.9-169.7-64.3169.1-11.300111.1R1504R1504-Q1506 PolarHBondContact O-N 3.14Å
1507S26.4Very low37.6Very low106 Ų106124.5 Ų124.574%0.74165%0.647SS**  trans-133.6139.9166.951.80000109.6I1509S1507-I1509 PolarHBondContact O-N 3.31Å
1508E24Very low40.6Very low188 Ų188117 Ų11788%0.87961%0.612SS**  trans-64.1116.4-163.4-62.2166.8123.800112.6V1510E1508-V1510 PolarHBondContact O-N 3.5Å; E1508-V1510 VanDerWaalsContact O-N 3.09Å
1509I25.5Very low43.6Very low150 Ų150110.8 Ų110.877%0.76958%0.578SS**  trans-84.784.7177.6-56.6179.3000109.2S1507 K1511S1507-I1509 PolarHBondContact O-N 3.31Å; I1509-K1511 PolarHBondContact O-N 3.05Å
1510V27.5Very low46.6Very low82 Ų82106.2 Ų106.250%0.49755%0.546SS..  trans-71.5118.2167.71790000109.2E1508 Y1512E1508-V1510 PolarHBondContact O-N 3.5Å; E1508-V1510 VanDerWaalsContact O-N 3.09Å; V1510-Y1512 HydrophobicContact CB-CE1 4.09Å; V1510-Y1512 HydrophobicContact CG1-CD1 4.11Å; V1510-Y1512 HydrophobicContact CG1-CE1 3.89Å; V1510-Y1512 WeakPolarHBondContact O-CD2 3.36Å; V1510-Y1512 WeakPolarHBondContact O-CE2 3.36Å; V1510-Y1512 PolarHBondContact O-N 3.38Å
1511K28.7Very low49.1Very low200 Ų200100.2 Ų100.287%0.8751%0.514SS*.  trans-65.691.2168.3-72.2179.1178175.70109.5I1509 S1513I1509-K1511 PolarHBondContact O-N 3.05Å; K1511-S1513 PolarHBondContact O-N 2.92Å
1512Y38.7Very low51.7Low122 Ų12296.8 Ų96.848%0.47849%0.494SS..  trans-66.8117.8173-56-71.5000110.1A1389 K1390 V1510 T1514A1389-Y1512 VanDerWaalsContact O-CD1 3.31Å; A1389-Y1512 WeakPolarHBondContact O-CD1 3.23Å; A1389-Y1512 WeakPolarHBondContact O-CE1 3.35Å; K1390-Y1512 PolarHBondContact O-OH 2.82Å; V1510-Y1512 HydrophobicContact CB-CE1 4.09Å; V1510-Y1512 HydrophobicContact CG1-CD1 4.11Å; V1510-Y1512 HydrophobicContact CG1-CE1 3.89Å; V1510-Y1512 WeakPolarHBondContact O-CD2 3.36Å; V1510-Y1512 WeakPolarHBondContact O-CE2 3.36Å; V1510-Y1512 PolarHBondContact O-N 3.38Å; Y1512-T1514 PolarHBondContact O-N 2.83Å
1513S44.2Very low54Low62 Ų6295 Ų9543%0.43448%0.477SS..  trans-57.9134.3162.9-174.70000109.1K1511 T1515K1511-S1513 PolarHBondContact O-N 2.92Å; S1513-T1515 PolarHBondContact O-N 3.48Å; S1513-T1515 PolarHBondContact OG-N 3.06Å; S1513-T1515 PolarHBondContact OG-OG1 3.43Å
1514T56.1Low55.7Low94 Ų9497.5 Ų97.558%0.57748%0.476SS*.SBendtrans-75.1-8.6174.246.40000112.8Y1512Y1512-T1514 PolarHBondContact O-N 2.83Å
1515T66.4Low56.5Low61 Ų6195.3 Ų95.337%0.37448%0.48SS..THydrogen-bonded Turntrans-76146.7178.467.20000111.8S1513 V1517S1513-T1515 PolarHBondContact O-N 3.48Å; S1513-T1515 PolarHBondContact OG-N 3.06Å; S1513-T1515 PolarHBondContact OG-OG1 3.43Å; T1515-V1517 PolarHBondContact O-N 2.97Å
1516N82.9Confident57.8Low23 Ų2391 Ų9112%0.12345%0.452CS..THydrogen-bonded Turntrans66.311.8176-33.63.2000115.3K1534 A1535 P1536 S1537 N1538 C1541N1516-K1534 CarbonylContact O-C 3.55Å; N1516-K1534 WeakPolarHBondContact O-CA 3.5Å; N1516-A1535 VanDerWaalsContact CB-O 3.31Å; N1516-A1535 WeakPolarHBondContact CB-O 2.91Å; N1516-A1535 PolarHBondContact O-N 3.48Å; N1516-P1536 PolarHBondContact ND2-O 3.26Å; N1516-P1536 VanDerWaalsContact ND2-O 3.1Å; N1516-S1537 VanDerWaalsContact CG-C 3.41Å; N1516-S1537 VanDerWaalsContact ND2-CA 3.27Å; N1516-S1537 WeakPolarHBondContact ND2-CA 2.98Å; N1516-N1538 PolarHBondContact N-OD1 2.94Å; N1516-N1538 PolarHBondContact OD1-N 3.42Å; N1516-N1538 PolarHBondContact OD1-ND2 3.46Å; N1516-N1538 PolarHBondContact OD1-OD1 3.19Å; N1516-N1538 VanDerWaalsContact OD1-OD1 3.06Å; N1516-C1541 VanDerWaalsContact C-SG 3.53Å; N1516-C1541 HydrophobicContact CB-CB 4.42Å
1517V87.3Confident59.7Low7 Ų792.1 Ų92.14%0.04245%0.448CS..EExtended strand (participates in β ladder)trans-104.9143.4-175.4-178.20000112.2A1389 G1450 A1451 T1515 T1532 L1533 K1534A1389-V1517 HydrophobicContact CB-CG1 4.3Å; G1450-V1517 WeakPolarHBondContact CA-O 3.46Å; G1450-V1517 PolarHBondContact N-O 3.16Å; A1451-V1517 HydrophobicContact CB-CG1 4.01Å; T1515-V1517 PolarHBondContact O-N 2.97Å; V1517-T1532 HydrophobicContact CG1-CG2 3.33Å; V1517-L1533 CarbonylContact C-O 3.58Å; V1517-L1533 WeakPolarHBondContact CA-O 3.39Å; V1517-K1534 HydrophobicContact CG2-CB 4.06Å; V1517-K1534 HydrophobicContact CG2-CG 4.06Å
1518F90.2Very high61.9Low1 Ų193.4 Ų93.40%0.00444%0.443CS..EExtended strand (participates in β ladder)trans-140.6151.1168.168.2-89.6000112.1L1386 V1447 F1448 L1520 T1532 L1533 W1544 V1545 L1548L1386-F1518 HydrophobicContact CD1-CE1 4.02Å; L1386-F1518 HydrophobicContact CD1-CZ 3.59Å; L1386-F1518 HydrophobicContact CD2-CE1 4.04Å; L1386-F1518 HydrophobicContact CD2-CZ 4.45Å; V1447-F1518 HydrophobicContact CG2-CB 4.39Å; V1447-F1518 HydrophobicContact CG2-CD2 3.68Å; V1447-F1518 HydrophobicContact CG2-CE2 4.34Å; V1447-F1518 HydrophobicContact CG2-CG 4.39Å; F1448-F1518 CarbonylContact O-C 3.53Å; F1448-F1518 VanDerWaalsContact O-CA 3.22Å; F1448-F1518 WeakPolarHBondContact O-CA 3.46Å; F1448-F1518 VanDerWaalsContact O-CB 3.28Å; F1448-F1518 WeakPolarHBondContact O-CB 3.39Å; F1518-L1520 HydrophobicContact CD2-CD2 4.26Å; F1518-L1520 HydrophobicContact CE2-CD2 4.16Å; F1518-L1520 HydrophobicContact CE2-CG 4.41Å; F1518-T1532 CarbonylContact O-C 3.42Å; F1518-T1532 WeakPolarHBondContact O-CA 3.06Å; F1518-L1533 HydrophobicContact CD1-CB 4.42Å; F1518-L1533 HydrophobicContact CD2-CB 4.47Å; F1518-L1533 HydrophobicContact CE1-CB 4.03Å; F1518-L1533 HydrophobicContact CE2-CB 4.09Å; F1518-L1533 HydrophobicContact CE2-CD1 3.87Å; F1518-L1533 HydrophobicContact CZ-CB 3.88Å; F1518-L1533 HydrophobicContact CZ-CD1 3.94Å; F1518-L1533 PolarHBondContact N-O 2.94Å; F1518-L1533 PolarHBondContact O-N 3.17Å; F1518-L1533 VanDerWaalsContact O-O 3.11Å; F1518-W1544 HydrophobicContact CE1-CB 3.73Å; F1518-W1544 HydrophobicContact CE1-CG 4.25Å; F1518-W1544 HydrophobicContact CZ-CB 3.82Å; F1518-W1544 HydrophobicContact CZ-CG 4.22Å; F1518-V1545 HydrophobicContact CB-CG2 3.54Å; F1518-V1545 HydrophobicContact CD1-CG2 4.18Å; F1518-V1545 HydrophobicContact CD2-CG2 4.34Å; F1518-V1545 HydrophobicContact CG-CG2 3.81Å; F1518-L1548 HydrophobicContact CD2-CD1 4.47Å; F1518-L1548 HydrophobicContact CE2-CD1 3.65Å; F1518-L1548 HydrophobicContact CZ-CD1 4.12Å
1519S90.5Very high64.5Low0 Ų086.5 Ų86.50%041%0.414CS..EExtended strand (participates in β ladder)trans-115.7139.1-179.9-68.70000111.3F1448 G1450 T1532F1448-S1519 PolarHBondContact N-O 3.43Å; F1448-S1519 PolarHBondContact O-N 3.22Å; G1450-S1519 PolarHBondContact O-OG 3.45Å; S1519-T1532 WeakPolarHBondContact OG-CG2 3.36Å; S1519-T1532 PolarHBondContact OG-OG1 3.06Å
1520L90.7Very high67.4Low0 Ų081.5 Ų81.50%039%0.388CS..EExtended strand (participates in β ladder)trans-102.1136.2172-59-178.9000110L1404 L1440 V1447 F1518 P1529 I1530 V1531 L1533 L1548L1404-L1520 HydrophobicContact CD2-CD1 3.43Å; L1404-L1520 VanDerWaalsContact CD2-CD1 3.43Å; L1440-L1520 HydrophobicContact CD1-CD1 3.87Å; V1447-L1520 HydrophobicContact CB-CD2 3.7Å; V1447-L1520 HydrophobicContact CG2-CD2 3.73Å; F1518-L1520 HydrophobicContact CD2-CD2 4.26Å; F1518-L1520 HydrophobicContact CE2-CD2 4.16Å; F1518-L1520 HydrophobicContact CE2-CG 4.41Å; L1520-P1529 CarbonylContact O-C 3.59Å; L1520-P1529 VanDerWaalsContact O-CA 3.31Å; L1520-P1529 WeakPolarHBondContact O-CA 3.49Å; L1520-I1530 PolarHBondContact O-N 3.2Å; L1520-V1531 HydrophobicContact CB-CG1 4.1Å; L1520-V1531 HydrophobicContact CD1-CG1 3.79Å; L1520-V1531 HydrophobicContact CG-CG1 4.13Å; L1520-V1531 PolarHBondContact N-O 3.49Å; L1520-L1533 HydrophobicContact CD1-CD1 4.18Å; L1520-L1548 HydrophobicContact CD2-CD1 4.13Å
1521F86.3Confident70.3Confident9 Ų977.9 Ų77.94%0.03937%0.367CS..EExtended strand (participates in β ladder)trans-131.2154.8-176.9-68.9-91.7000111.2I1445 Y1446 F1448 V1452 P1529I1445-F1521 CarbonylContact C-O 3.47Å; I1445-F1521 WeakPolarHBondContact CA-O 3.28Å; I1445-F1521 WeakPolarHBondContact CB-O 3.48Å; Y1446-F1521 HydrophobicContact CD1-CB 3.81Å; Y1446-F1521 HydrophobicContact CD2-CB 4.09Å; Y1446-F1521 HydrophobicContact CD2-CD2 4.33Å; Y1446-F1521 HydrophobicContact CE1-CB 3.3Å; Y1446-F1521 HydrophobicContact CE1-CG 4.26Å; Y1446-F1521 HydrophobicContact CE2-CB 3.61Å; Y1446-F1521 AromaticContact CE2-CD2 3.73Å; Y1446-F1521 HydrophobicContact CE2-CD2 3.73Å; Y1446-F1521 AromaticContact CE2-CG 3.82Å; Y1446-F1521 HydrophobicContact CE2-CG 3.82Å; Y1446-F1521 HydrophobicContact CG-CB 4.18Å; Y1446-F1521 AromaticContact CZ-CG 3.65Å; Y1446-F1521 PolarHBondContact N-O 3.45Å; Y1446-F1521 PolarHBondContact O-N 3.08Å; Y1446-F1521 WeakPolarHBondContact OH-CB 3.43Å; F1448-F1521 HydrophobicContact CB-CD2 4.27Å; F1448-F1521 HydrophobicContact CB-CE2 3.89Å; V1452-F1521 HydrophobicContact CB-CZ 4.46Å; V1452-F1521 HydrophobicContact CG2-CE2 4.44Å; V1452-F1521 HydrophobicContact CG2-CZ 3.66Å; F1521-P1529 HydrophobicContact CD1-CB 4.16Å; F1521-P1529 HydrophobicContact CE1-CB 3.71Å; F1521-P1529 HydrophobicContact CE1-CG 4.28Å; F1521-P1529 HydrophobicContact CE2-CB 4.24Å; F1521-P1529 HydrophobicContact CZ-CB 3.74Å; F1521-P1529 HydrophobicContact CZ-CG 4.33Å
1522K83.9Confident73.3Confident84 Ų8469.7 Ų69.737%0.36533%0.333SS..EExtended strand (participates in β ladder)trans-83.2129.8175.1-157.4166-172.9163.70109.3Q1444 R1524 I1530Q1444-K1522 CarbonylContact O-C 3.54Å; K1522-R1524 PolarHBondContact O-N 3.01Å; K1522-R1524 VanDerWaalsContact O-N 3.15Å; K1522-I1530 HydrophobicContact CB-CD1 4.11Å; K1522-I1530 HydrophobicContact CB-CG1 4.45Å
1523R75.7Confident75.8Confident104 Ų10464 Ų6439%0.39231%0.311SS..THydrogen-bonded Turntrans-59.9-22.9179.9-88.4173.6164.2-178.7-2.9113.7N1443 Q1444 I1445 Y1446N1443-R1523 WeakPolarHBondContact O-CD 2.98Å; N1443-R1523 PolarHBondContact O-NH1 3.45Å; Q1444-R1523 WeakPolarHBondContact O-CB 3.43Å; Q1444-R1523 PolarHBondContact O-N 3.12Å; I1445-R1523 PolarHBondContact O-NE 3.47Å; Y1446-R1523 HydrophobicContact CD1-CG 4.11Å
1524R62.7Low78Confident216 Ų21664.4 Ų64.482%0.81531%0.305SS*.THydrogen-bonded Turntrans-122.9112.3177.2-61.9178.3-178.3162.2-1.3108.5K1522K1522-R1524 PolarHBondContact O-N 3.01Å; K1522-R1524 VanDerWaalsContact O-N 3.15Å
1525N49.6Very low79.4Confident169 Ų16959.9 Ų59.990%0.90428%0.277SS*.THydrogen-bonded Turntrans63.358.6165.2-59.91.4000119.5
1526S55.2Low80.1Confident43 Ų4359.5 Ų59.530%0.30128%0.276SS..  trans-154.9122.3150690000114.3Q1528S1526-Q1528 PolarHBondContact O-N 3.07Å; S1526-Q1528 PolarHBondContact OG-O 3.28Å
1527W60.7Low79.8Confident214 Ų21460 Ų6081%0.81128%0.281SS*.SBendtrans-70-14.2165.3-66.5103.1000112.9F1463F1463-W1527 HydrophobicContact CE2-CZ3 4.46Å
1528Q73.1Confident79.1Confident133 Ų13362.4 Ų62.462%0.62129%0.293SS*.SBendtrans-85.9136.5174.2-62.5-171.50.100110.7S1526S1526-Q1528 PolarHBondContact O-N 3.07Å; S1526-Q1528 PolarHBondContact OG-O 3.28Å
1529P79Confident78Confident43 Ų4364.2 Ų64.228%0.27930%0.302SS..  trans-71.1134.8172.928.4-32.9000110.9L1520 F1521 V1531L1520-P1529 CarbonylContact O-C 3.59Å; L1520-P1529 VanDerWaalsContact O-CA 3.31Å; L1520-P1529 WeakPolarHBondContact O-CA 3.49Å; F1521-P1529 HydrophobicContact CD1-CB 4.16Å; F1521-P1529 HydrophobicContact CE1-CB 3.71Å; F1521-P1529 HydrophobicContact CE1-CG 4.28Å; F1521-P1529 HydrophobicContact CE2-CB 4.24Å; F1521-P1529 HydrophobicContact CZ-CB 3.74Å; F1521-P1529 HydrophobicContact CZ-CG 4.33Å; P1529-V1531 PolarHBondContact O-N 3.03Å
1530I85.4Confident77.3Confident45 Ų4565.2 Ų65.223%0.23131%0.307CS..SBendtrans-54.8-46.6173.2-59.1170.6000109.8L1440 I1445 L1520 K1522L1440-I1530 HydrophobicContact CD1-CG2 4.01Å; L1440-I1530 HydrophobicContact CD2-CD1 4.47Å; L1440-I1530 HydrophobicContact CD2-CG2 3.77Å; I1445-I1530 HydrophobicContact CG2-CD1 3.66Å; L1520-I1530 PolarHBondContact O-N 3.2Å; K1522-I1530 HydrophobicContact CB-CD1 4.11Å; K1522-I1530 HydrophobicContact CB-CG1 4.45Å
1531V88.9Confident77Confident6 Ų665.2 Ų65.24%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-153.1148.4173.465.70000109K1388 F1395 L1406 L1520 P1529 L1533K1388-V1531 HydrophobicContact CG-CG2 4.44Å; F1395-V1531 HydrophobicContact CE2-CG2 4.43Å; L1406-V1531 HydrophobicContact CD1-CG1 3.94Å; L1520-V1531 HydrophobicContact CB-CG1 4.1Å; L1520-V1531 HydrophobicContact CD1-CG1 3.79Å; L1520-V1531 HydrophobicContact CG-CG1 4.13Å; L1520-V1531 PolarHBondContact N-O 3.49Å; P1529-V1531 PolarHBondContact O-N 3.03Å; V1531-L1533 HydrophobicContact CG1-CD1 3.95Å; V1531-L1533 HydrophobicContact CG1-CD2 4.4Å; V1531-L1533 HydrophobicContact CG1-CG 3.95Å; V1531-L1533 HydrophobicContact CG2-CD2 3.68Å; V1531-L1533 HydrophobicContact CG2-CG 3.95Å
1532T90.7Very high76.4Confident28 Ų2867.1 Ų67.117%0.17232%0.318CS..EExtended strand (participates in β ladder)trans-115.8120.4168.4-610000107.5A1389 A1451 V1517 F1518 S1519A1389-T1532 HydrophobicContact CB-CG2 3.72Å; A1389-T1532 PolarHBondContact N-O 2.99Å; A1451-T1532 HydrophobicContact CB-CG2 4.16Å; V1517-T1532 HydrophobicContact CG1-CG2 3.33Å; F1518-T1532 CarbonylContact O-C 3.42Å; F1518-T1532 WeakPolarHBondContact O-CA 3.06Å; S1519-T1532 WeakPolarHBondContact OG-CG2 3.36Å; S1519-T1532 PolarHBondContact OG-OG1 3.06Å
1533L91.9Very high75.9Confident1 Ų164.2 Ų64.21%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-114.1138.3-170.8-64.3169.9000109.2L1386 Y1387 F1395 L1406 V1517 F1518 L1520 V1531L1386-L1533 HydrophobicContact CB-CD2 4.42Å; L1386-L1533 HydrophobicContact CD1-CB 4.31Å; L1386-L1533 HydrophobicContact CD1-CD1 3.91Å; Y1387-L1533 CarbonylContact O-C 3.54Å; Y1387-L1533 WeakPolarHBondContact O-CA 3.14Å; F1395-L1533 HydrophobicContact CD2-CD2 3.75Å; F1395-L1533 HydrophobicContact CE2-CD2 4.14Å; L1406-L1533 HydrophobicContact CD2-CD1 4.22Å; V1517-L1533 CarbonylContact C-O 3.58Å; V1517-L1533 WeakPolarHBondContact CA-O 3.39Å; F1518-L1533 HydrophobicContact CD1-CB 4.42Å; F1518-L1533 HydrophobicContact CD2-CB 4.47Å; F1518-L1533 HydrophobicContact CE1-CB 4.03Å; F1518-L1533 HydrophobicContact CE2-CB 4.09Å; F1518-L1533 HydrophobicContact CE2-CD1 3.87Å; F1518-L1533 HydrophobicContact CZ-CB 3.88Å; F1518-L1533 HydrophobicContact CZ-CD1 3.94Å; F1518-L1533 PolarHBondContact N-O 2.94Å; F1518-L1533 PolarHBondContact O-N 3.17Å; F1518-L1533 VanDerWaalsContact O-O 3.11Å; L1520-L1533 HydrophobicContact CD1-CD1 4.18Å; V1531-L1533 HydrophobicContact CG1-CD1 3.95Å; V1531-L1533 HydrophobicContact CG1-CD2 4.4Å; V1531-L1533 HydrophobicContact CG1-CG 3.95Å; V1531-L1533 HydrophobicContact CG2-CD2 3.68Å; V1531-L1533 HydrophobicContact CG2-CG 3.95Å
1534K90Very high76.3Confident71 Ų7159.5 Ų59.531%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-112.4119.9176.9179.5-175.4174.4-168.40107.5Y1387 N1516 V1517Y1387-K1534 PolarHBondContact N-O 2.9Å; Y1387-K1534 PolarHBondContact O-N 2.87Å; N1516-K1534 CarbonylContact O-C 3.55Å; N1516-K1534 WeakPolarHBondContact O-CA 3.5Å; V1517-K1534 HydrophobicContact CG2-CB 4.06Å; V1517-K1534 HydrophobicContact CG2-CG 4.06Å
1535A86.6Confident77.3Confident0 Ų049.4 Ų49.40%025%0.251CS..  trans-78.5157.8170.900000110.7L1386 N1516 S1537 L1540 C1541L1386-A1535 HydrophobicContact CD2-CB 3.72Å; N1516-A1535 VanDerWaalsContact CB-O 3.31Å; N1516-A1535 WeakPolarHBondContact CB-O 2.91Å; N1516-A1535 PolarHBondContact O-N 3.48Å; A1535-S1537 PolarHBondContact O-N 3.09Å; A1535-L1540 HydrophobicContact CB-CB 3.98Å; A1535-C1541 HydrophobicContact CB-CB 3.81Å
1536P81.4Confident78.5Confident53 Ų5343.3 Ų43.334%0.34422%0.218SC..SBendtrans-57-35.8176.4-23.232.2000112.7Y1387 L1417 N1516 L1540Y1387-P1536 HydrophobicContact CE2-CG 4.17Å; L1417-P1536 HydrophobicContact CD2-CG 3.94Å; N1516-P1536 PolarHBondContact ND2-O 3.26Å; N1516-P1536 VanDerWaalsContact ND2-O 3.1Å; P1536-L1540 HydrophobicContact CB-CD1 4.02Å; P1536-L1540 HydrophobicContact CG-CD1 3.95Å
1537S76.1Confident79.4Confident32 Ų3242 Ų4222%0.22421%0.207CC..SBendtrans-135.6165.2-178.391.40000112N1516 A1535 E1539 L1540 C1541N1516-S1537 VanDerWaalsContact CG-C 3.41Å; N1516-S1537 VanDerWaalsContact ND2-CA 3.27Å; N1516-S1537 WeakPolarHBondContact ND2-CA 2.98Å; A1535-S1537 PolarHBondContact O-N 3.09Å; S1537-E1539 VanDerWaalsContact C-N 3.29Å; S1537-E1539 WeakPolarHBondContact CB-OE2 3.5Å; S1537-E1539 PolarHBondContact OG-N 3.08Å; S1537-E1539 PolarHBondContact OG-OE2 3.28Å; S1537-L1540 PolarHBondContact OG-N 3.11Å; S1537-C1541 PolarHBondContact O-N 3.42Å
1538N73.5Confident80.5Confident58 Ų5831.8 Ų31.831%0.3117%0.169SC..Hα-helixtrans-64.9-37.8175.9-89.7-47.2000110.9N1516 L1540 C1541 D1542N1516-N1538 PolarHBondContact N-OD1 2.94Å; N1516-N1538 PolarHBondContact OD1-N 3.42Å; N1516-N1538 PolarHBondContact OD1-ND2 3.46Å; N1516-N1538 PolarHBondContact OD1-OD1 3.19Å; N1516-N1538 VanDerWaalsContact OD1-OD1 3.06Å; N1538-L1540 PolarHBondContact O-N 2.92Å; N1538-C1541 WeakPolarHBondContact O-CA 3.43Å; N1538-C1541 VanDerWaalsContact O-CB 3.31Å; N1538-C1541 WeakPolarHBondContact O-CB 3.14Å; N1538-C1541 PolarHBondContact O-N 3.46Å; N1538-C1541 VanDerWaalsContact O-N 3.08Å; N1538-D1542 PolarHBondContact O-N 3.47Å
1539E66.5Low80.9Confident40 Ų4031.3 Ų31.319%0.18716%0.161CC..Hα-helixtrans-60.4-45.3180-58.170.1-143.200110.6K1323 L1327 S1537 D1542 L1543K1323-E1539 HydrophobicContact CB-CG 4.29Å; K1323-E1539 HydrophobicContact CG-CG 4.46Å; K1323-E1539 WeakPolarHBondContact CG-OE1 3.3Å; L1327-E1539 HydrophobicContact CD1-CB 4.4Å; L1327-E1539 HydrophobicContact CD1-CG 4.16Å; L1327-E1539 HydrophobicContact CD2-CB 3.62Å; L1327-E1539 HydrophobicContact CD2-CG 4.27Å; L1327-E1539 HydrophobicContact CG-CB 3.76Å; L1327-E1539 HydrophobicContact CG-CG 3.88Å; S1537-E1539 VanDerWaalsContact C-N 3.29Å; S1537-E1539 WeakPolarHBondContact CB-OE2 3.5Å; S1537-E1539 PolarHBondContact OG-N 3.08Å; S1537-E1539 PolarHBondContact OG-OE2 3.28Å; E1539-D1542 PolarHBondContact O-N 2.98Å; E1539-L1543 WeakPolarHBondContact O-CB 3.37Å; E1539-L1543 PolarHBondContact O-N 3.26Å
1540L75Confident80.5Confident21 Ų2130.8 Ų30.811%0.1116%0.156CC..Hα-helixtrans-69.7-34173.9-68.6171.3000112.2V1330 L1417 A1535 P1536 S1537 N1538 L1543 W1544V1330-L1540 HydrophobicContact CG1-CD2 3.99Å; V1330-L1540 HydrophobicContact CG2-CD2 4.28Å; L1417-L1540 HydrophobicContact CD1-CD1 4.24Å; L1417-L1540 HydrophobicContact CD2-CD1 3.71Å; A1535-L1540 HydrophobicContact CB-CB 3.98Å; P1536-L1540 HydrophobicContact CB-CD1 4.02Å; P1536-L1540 HydrophobicContact CG-CD1 3.95Å; S1537-L1540 PolarHBondContact OG-N 3.11Å; N1538-L1540 PolarHBondContact O-N 2.92Å; L1540-L1543 PolarHBondContact O-N 3.38Å; L1540-W1544 WeakPolarHBondContact O-CB 3.44Å; L1540-W1544 VanDerWaalsContact O-CD1 3.26Å; L1540-W1544 PolarHBondContact O-N 3.39Å
1541C83.9Confident80.2Confident0 Ų029.7 Ų29.70%015%0.15CC..Hα-helixtrans-62.4-47.1173.5179.40000111.2N1516 A1535 S1537 N1538 W1544 V1545N1516-C1541 VanDerWaalsContact C-SG 3.53Å; N1516-C1541 HydrophobicContact CB-CB 4.42Å; A1535-C1541 HydrophobicContact CB-CB 3.81Å; S1537-C1541 PolarHBondContact O-N 3.42Å; N1538-C1541 WeakPolarHBondContact O-CA 3.43Å; N1538-C1541 VanDerWaalsContact O-CB 3.31Å; N1538-C1541 WeakPolarHBondContact O-CB 3.14Å; N1538-C1541 PolarHBondContact O-N 3.46Å; N1538-C1541 VanDerWaalsContact O-N 3.08Å; C1541-W1544 PolarHBondContact O-N 2.73Å; C1541-V1545 WeakPolarHBondContact O-CB 3.4Å; C1541-V1545 VanDerWaalsContact O-CG2 3.25Å; C1541-V1545 WeakPolarHBondContact O-CG2 3.4Å; C1541-V1545 PolarHBondContact O-N 3.18Å
1542D73.7Confident80Confident49 Ų4929.9 Ų29.926%0.26215%0.151SC..Hα-helixtrans-64.2-41.1177.4-82.8-52.2000112K1449 N1538 E1539 V1545 L1546K1449-D1542 WeakPolarHBondContact CD-OD1 3.34Å; K1449-D1542 VanDerWaalsContact CE-OD1 3.27Å; K1449-D1542 WeakPolarHBondContact CE-OD1 3.46Å; K1449-D1542 IonicContact NZ-OD1 2.74Å; K1449-D1542 PolarHBondContact NZ-OD1 2.8Å; K1449-D1542 IonicContact NZ-OD2 3.66Å; K1449-D1542 PolarHBondContact NZ-OD2 3.23Å; N1538-D1542 PolarHBondContact O-N 3.47Å; E1539-D1542 PolarHBondContact O-N 2.98Å; D1542-V1545 PolarHBondContact O-N 3.13Å; D1542-L1546 WeakPolarHBondContact O-CB 3.42Å; D1542-L1546 PolarHBondContact O-N 3.39Å
1543L74.1Confident79.2Confident22 Ų2235.1 Ų35.112%0.11517%0.171CC..Hα-helixtrans-60.3-49.2173.5-176.366000112V1330 E1539 L1540 V1545 L1546 I1547V1330-L1543 HydrophobicContact CB-CD2 4.39Å; V1330-L1543 HydrophobicContact CG1-CD2 3.31Å; E1539-L1543 WeakPolarHBondContact O-CB 3.37Å; E1539-L1543 PolarHBondContact O-N 3.26Å; L1540-L1543 PolarHBondContact O-N 3.38Å; L1543-V1545 PolarHBondContact O-N 2.8Å; L1543-L1546 PolarHBondContact O-N 3.06Å; L1543-I1547 HydrophobicContact CD1-CD1 3.77Å; L1543-I1547 HydrophobicContact CD1-CG1 4.04Å; L1543-I1547 HydrophobicContact CD2-CD1 4.37Å; L1543-I1547 HydrophobicContact CG-CD1 3.73Å; L1543-I1547 HydrophobicContact CG-CG1 4.32Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.29Å; L1543-I1547 PolarHBondContact O-N 2.7Å
1544W83.5Confident78.1Confident5 Ų536.8 Ų36.82%0.01919%0.185CC..Hα-helixtrans-60.3-46.4177.6-91.6101000112H1382 L1386 C1397 L1399 L1404 F1518 L1540 C1541 L1546 L1548H1382-W1544 AromaticContact CD2-CD2 3.89Å; H1382-W1544 AromaticContact CD2-CE2 3.63Å; H1382-W1544 AromaticContact CD2-CH2 3.84Å; H1382-W1544 AromaticContact CD2-CZ2 3.64Å; H1382-W1544 AromaticContact NE2-CE2 3.67Å; H1382-W1544 AromaticContact NE2-CZ2 3.92Å; H1382-W1544 AromaticContact NE2-NE1 3.72Å; L1386-W1544 HydrophobicContact CD1-CD2 3.79Å; L1386-W1544 HydrophobicContact CD1-CE3 4.16Å; L1386-W1544 HydrophobicContact CD1-CG 4.18Å; L1386-W1544 HydrophobicContact CD1-CH2 4.42Å; L1386-W1544 HydrophobicContact CD1-CZ2 4.05Å; L1386-W1544 HydrophobicContact CD1-CZ3 4.46Å; L1386-W1544 HydrophobicContact CD2-CG 4.2Å; L1386-W1544 HydrophobicContact CG-CD2 4.43Å; L1386-W1544 HydrophobicContact CG-CZ2 4.3Å; C1397-W1544 HydrophobicContact CB-CH2 3.58Å; C1397-W1544 HydrophobicContact CB-CZ2 4.02Å; C1397-W1544 HydrophobicContact CB-CZ3 4.3Å; L1399-W1544 HydrophobicContact CB-CZ3 4.16Å; L1404-W1544 HydrophobicContact CD1-CZ3 4.09Å; F1518-W1544 HydrophobicContact CE1-CB 3.73Å; F1518-W1544 HydrophobicContact CE1-CG 4.25Å; F1518-W1544 HydrophobicContact CZ-CB 3.82Å; F1518-W1544 HydrophobicContact CZ-CG 4.22Å; L1540-W1544 WeakPolarHBondContact O-CB 3.44Å; L1540-W1544 VanDerWaalsContact O-CD1 3.26Å; L1540-W1544 PolarHBondContact O-N 3.39Å; C1541-W1544 PolarHBondContact O-N 2.73Å; W1544-L1546 VanDerWaalsContact C-N 3.29Å; W1544-L1546 PolarHBondContact O-N 3.44Å; W1544-L1548 HydrophobicContact CE3-CD1 4.07Å; W1544-L1548 HydrophobicContact CE3-CG 4.27Å; W1544-L1548 WeakPolarHBondContact O-CB 3.33Å; W1544-L1548 WeakPolarHBondContact O-CD1 3.16Å; W1544-L1548 WeakPolarHBondContact O-CG 3.42Å; W1544-L1548 PolarHBondContact O-N 3.49Å
1545V83.9Confident76.7Confident4 Ų434.5 Ų34.52%0.02418%0.182CC..Hα-helixtrans-61.6-38.8176.6171.10000111V1447 K1449 F1518 C1541 D1542 L1543 R1549V1447-V1545 HydrophobicContact CG1-CG1 4.47Å; V1447-V1545 HydrophobicContact CG2-CG1 4.43Å; V1447-V1545 HydrophobicContact CG2-CG2 4.03Å; K1449-V1545 HydrophobicContact CB-CG2 4.4Å; F1518-V1545 HydrophobicContact CB-CG2 3.54Å; F1518-V1545 HydrophobicContact CD1-CG2 4.18Å; F1518-V1545 HydrophobicContact CD2-CG2 4.34Å; F1518-V1545 HydrophobicContact CG-CG2 3.81Å; C1541-V1545 WeakPolarHBondContact O-CB 3.4Å; C1541-V1545 VanDerWaalsContact O-CG2 3.25Å; C1541-V1545 WeakPolarHBondContact O-CG2 3.4Å; C1541-V1545 PolarHBondContact O-N 3.18Å; D1542-V1545 PolarHBondContact O-N 3.13Å; L1543-V1545 PolarHBondContact O-N 2.8Å; V1545-R1549 WeakPolarHBondContact O-CB 3.48Å; V1545-R1549 WeakPolarHBondContact O-CG 3.48Å; V1545-R1549 PolarHBondContact O-N 3.35Å
1546L74.4Confident75.2Confident42 Ų4236.3 Ų36.322%0.2220%0.195CC..Hα-helixtrans-68.7-51.3179.3-175.4144.8000112.2L1239 K1242 D1542 L1543 W1544 L1548 R1549 D1550L1239-L1546 HydrophobicContact CB-CD1 3.9Å; L1239-L1546 HydrophobicContact CD2-CD1 3.77Å; L1239-L1546 HydrophobicContact CG-CD1 4.42Å; L1239-L1546 WeakPolarHBondContact O-CD1 3.49Å; K1242-L1546 HydrophobicContact CB-CD2 4.29Å; K1242-L1546 HydrophobicContact CD-CD2 4.23Å; D1542-L1546 WeakPolarHBondContact O-CB 3.42Å; D1542-L1546 PolarHBondContact O-N 3.39Å; L1543-L1546 PolarHBondContact O-N 3.06Å; W1544-L1546 VanDerWaalsContact C-N 3.29Å; W1544-L1546 PolarHBondContact O-N 3.44Å; L1546-L1548 VanDerWaalsContact C-N 3.33Å; L1546-L1548 PolarHBondContact O-N 2.88Å; L1546-R1549 PolarHBondContact O-N 2.91Å; L1546-D1550 WeakPolarHBondContact O-CB 3.29Å; L1546-D1550 PolarHBondContact O-N 3.33Å
1547I74.2Confident73.4Confident14 Ų1439.3 Ų39.37%0.07221%0.207CC..Hα-helixtrans-63.3-41.8178.7-58.7170.4000110V1381 H1382 L1399 L1543 D1550 Q1551V1381-I1547 HydrophobicContact CG1-CG2 4Å; H1382-I1547 HydrophobicContact CB-CD1 4.05Å; H1382-I1547 HydrophobicContact CB-CG2 4.21Å; L1399-I1547 HydrophobicContact CD2-CB 4.39Å; L1399-I1547 HydrophobicContact CD2-CG2 3.56Å; L1543-I1547 HydrophobicContact CD1-CD1 3.77Å; L1543-I1547 HydrophobicContact CD1-CG1 4.04Å; L1543-I1547 HydrophobicContact CD2-CD1 4.37Å; L1543-I1547 HydrophobicContact CG-CD1 3.73Å; L1543-I1547 HydrophobicContact CG-CG1 4.32Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.29Å; L1543-I1547 PolarHBondContact O-N 2.7Å; I1547-D1550 WeakPolarHBondContact O-CB 3.46Å; I1547-D1550 PolarHBondContact O-N 3.24Å; I1547-Q1551 HydrophobicContact CG2-CG 4.28Å; I1547-Q1551 WeakPolarHBondContact O-CG 3.48Å; I1547-Q1551 PolarHBondContact O-N 2.85Å
1548L84.4Confident71.5Confident0 Ų042.1 Ų42.10%022%0.219CC..Hα-helixtrans-62-46.4175.6-74.9166.6000111.8L1399 L1404 V1447 F1518 L1520 W1544 L1546 D1550 Q1551 I1552L1399-L1548 HydrophobicContact CD1-CD2 3.72Å; L1399-L1548 HydrophobicContact CD2-CD2 3.83Å; L1399-L1548 HydrophobicContact CD2-CG 4.23Å; L1399-L1548 HydrophobicContact CG-CD2 4.38Å; L1404-L1548 HydrophobicContact CD1-CD2 4.47Å; L1404-L1548 HydrophobicContact CD2-CD2 3.96Å; V1447-L1548 HydrophobicContact CB-CB 4.47Å; V1447-L1548 HydrophobicContact CG1-CB 3.98Å; V1447-L1548 HydrophobicContact CG2-CD1 4.34Å; F1518-L1548 HydrophobicContact CD2-CD1 4.47Å; F1518-L1548 HydrophobicContact CE2-CD1 3.65Å; F1518-L1548 HydrophobicContact CZ-CD1 4.12Å; L1520-L1548 HydrophobicContact CD2-CD1 4.13Å; W1544-L1548 HydrophobicContact CE3-CD1 4.07Å; W1544-L1548 HydrophobicContact CE3-CG 4.27Å; W1544-L1548 WeakPolarHBondContact O-CB 3.33Å; W1544-L1548 WeakPolarHBondContact O-CD1 3.16Å; W1544-L1548 WeakPolarHBondContact O-CG 3.42Å; W1544-L1548 PolarHBondContact O-N 3.49Å; L1546-L1548 VanDerWaalsContact C-N 3.33Å; L1546-L1548 PolarHBondContact O-N 2.88Å; L1548-D1550 VanDerWaalsContact C-N 3.26Å; L1548-D1550 PolarHBondContact O-N 3.06Å; L1548-Q1551 PolarHBondContact O-N 3.09Å; L1548-I1552 HydrophobicContact CB-CD1 4.37Å; L1548-I1552 WeakPolarHBondContact O-CB 3.09Å; L1548-I1552 VanDerWaalsContact O-CD1 3.28Å; L1548-I1552 WeakPolarHBondContact O-CD1 3.46Å; L1548-I1552 WeakPolarHBondContact O-CG1 3.17Å; L1548-I1552 PolarHBondContact O-N 3.24Å
1549R81.8Confident69.8Low123 Ų12343.7 Ų43.746%0.46424%0.235SC..Hα-helixtrans-59.5-39175.6-78.2172.9176.9177.5-3.2112.2V1447 V1545 L1546 K1553V1447-R1549 HydrophobicContact CG1-CG 3.49Å; V1447-R1549 VanDerWaalsContact CG1-CG 3.49Å; V1545-R1549 WeakPolarHBondContact O-CB 3.48Å; V1545-R1549 WeakPolarHBondContact O-CG 3.48Å; V1545-R1549 PolarHBondContact O-N 3.35Å; L1546-R1549 PolarHBondContact O-N 2.91Å; R1549-K1553 WeakPolarHBondContact O-CB 3.19Å; R1549-K1553 VanDerWaalsContact O-CG 3.28Å; R1549-K1553 WeakPolarHBondContact O-CG 3.22Å; R1549-K1553 PolarHBondContact O-N 2.93Å; R1549-K1553 VanDerWaalsContact O-N 3.08Å
1550D71.2Confident68Low33 Ų3343.8 Ų43.818%0.17624%0.237CC..Hα-helixtrans-66-50179.4-167.777.7000111.8K1242 L1546 I1547 L1548 K1553 A1554K1242-D1550 IonicContact NZ-OD1 3.38Å; K1242-D1550 PolarHBondContact NZ-OD1 2.86Å; L1546-D1550 WeakPolarHBondContact O-CB 3.29Å; L1546-D1550 PolarHBondContact O-N 3.33Å; I1547-D1550 WeakPolarHBondContact O-CB 3.46Å; I1547-D1550 PolarHBondContact O-N 3.24Å; L1548-D1550 VanDerWaalsContact C-N 3.26Å; L1548-D1550 PolarHBondContact O-N 3.06Å; D1550-K1553 WeakPolarHBondContact O-CB 3.25Å; D1550-K1553 PolarHBondContact O-N 2.92Å; D1550-K1553 VanDerWaalsContact O-N 3.17Å; D1550-A1554 PolarHBondContact O-N 3.07Å
1551Q79.3Confident65.8Low22 Ų2247.4 Ų47.410%0.10326%0.264CS..Hα-helixtrans-71.2-33.1179.4-61.1-57.5-69.200113.1V1381 L1399 L1442 I1547 L1548 K1553 A1554 G1555V1381-Q1551 HydrophobicContact CB-CG 4.46Å; V1381-Q1551 HydrophobicContact CG1-CG 3.86Å; V1381-Q1551 HydrophobicContact CG2-CG 4.33Å; L1399-Q1551 HydrophobicContact CD2-CG 4.3Å; L1442-Q1551 HydrophobicContact CD1-CB 3.58Å; I1547-Q1551 HydrophobicContact CG2-CG 4.28Å; I1547-Q1551 WeakPolarHBondContact O-CG 3.48Å; I1547-Q1551 PolarHBondContact O-N 2.85Å; L1548-Q1551 PolarHBondContact O-N 3.09Å; Q1551-K1553 VanDerWaalsContact C-N 3.28Å; Q1551-K1553 PolarHBondContact O-N 2.92Å; Q1551-A1554 PolarHBondContact O-N 3.04Å; Q1551-G1555 PolarHBondContact O-N 2.76Å
1552I83.6Confident63Low9 Ų959.3 Ų59.35%0.04631%0.309CS..Hα-helixtrans-64.4-33.3171.2-69.3164.5000111.2L1442 I1445 V1447 L1548 S1556L1442-I1552 HydrophobicContact CB-CG1 4.18Å; L1442-I1552 HydrophobicContact CD2-CG1 4.31Å; I1445-I1552 HydrophobicContact CD1-CD1 4.26Å; I1445-I1552 HydrophobicContact CG1-CD1 3.92Å; I1445-I1552 HydrophobicContact CG1-CG1 4.22Å; V1447-I1552 HydrophobicContact CG1-CD1 4.26Å; L1548-I1552 HydrophobicContact CB-CD1 4.37Å; L1548-I1552 WeakPolarHBondContact O-CB 3.09Å; L1548-I1552 VanDerWaalsContact O-CD1 3.28Å; L1548-I1552 WeakPolarHBondContact O-CD1 3.46Å; L1548-I1552 WeakPolarHBondContact O-CG1 3.17Å; L1548-I1552 PolarHBondContact O-N 3.24Å; I1552-S1556 PolarHBondContact O-N 3.13Å; I1552-S1556 PolarHBondContact O-OG 2.87Å; I1552-S1556 VanDerWaalsContact O-OG 3.09Å
1553K75.1Confident60.7Low138 Ų13861.8 Ų61.860%0.633%0.33SS*.Hα-helixtrans-73.3-46.4173.1-78.4179.4176.9-164.70111.9R1549 D1550 Q1551 G1555 S1556 N1557R1549-K1553 WeakPolarHBondContact O-CB 3.19Å; R1549-K1553 VanDerWaalsContact O-CG 3.28Å; R1549-K1553 WeakPolarHBondContact O-CG 3.22Å; R1549-K1553 PolarHBondContact O-N 2.93Å; R1549-K1553 VanDerWaalsContact O-N 3.08Å; D1550-K1553 WeakPolarHBondContact O-CB 3.25Å; D1550-K1553 PolarHBondContact O-N 2.92Å; D1550-K1553 VanDerWaalsContact O-N 3.17Å; Q1551-K1553 VanDerWaalsContact C-N 3.28Å; Q1551-K1553 PolarHBondContact O-N 2.92Å; K1553-G1555 PolarHBondContact O-N 3.49Å; K1553-S1556 PolarHBondContact O-N 3.26Å; K1553-S1556 PolarHBondContact O-OG 3.41Å; K1553-N1557 PolarHBondContact O-N 3.31Å
1554A67.7Low58.4Low37 Ų3765.5 Ų65.531%0.30636%0.358SS..Hα-helixtrans-58.7-48.6177.400000111.3D1550 Q1551 S1556 N1557 L1558D1550-A1554 PolarHBondContact O-N 3.07Å; Q1551-A1554 PolarHBondContact O-N 3.04Å; A1554-S1556 PolarHBondContact O-N 3.2Å; A1554-S1556 VanDerWaalsContact O-N 3.15Å; A1554-N1557 PolarHBondContact O-N 3.18Å; A1554-L1558 WeakPolarHBondContact O-CD1 3.46Å; A1554-L1558 PolarHBondContact O-N 3.25Å
1555G60.7Low55.5Low23 Ų2376.2 Ų76.224%0.23740%0.4CS..Hα-helixtrans-63-18.2177.700000115.2Q1551 K1553Q1551-G1555 PolarHBondContact O-N 2.76Å; K1553-G1555 PolarHBondContact O-N 3.49Å
1556S55.2Low52.7Low38 Ų3881.5 Ų81.527%0.26644%0.438SS..Hα-helixtrans-85.9-14.5170.141.10000114.9I1552 K1553 A1554 S1559I1552-S1556 PolarHBondContact O-N 3.13Å; I1552-S1556 PolarHBondContact O-OG 2.87Å; I1552-S1556 VanDerWaalsContact O-OG 3.09Å; K1553-S1556 PolarHBondContact O-N 3.26Å; K1553-S1556 PolarHBondContact O-OG 3.41Å; A1554-S1556 PolarHBondContact O-N 3.2Å; A1554-S1556 VanDerWaalsContact O-N 3.15Å; S1556-S1559 PolarHBondContact O-OG 3.34Å
1557N42.6Very low50.3Low115 Ų11584 Ų8462%0.61546%0.456SS*.Hα-helixtrans-88.8-29.6178.7-71.8-15.6000112.6K1553 A1554 S1559 N1560K1553-N1557 PolarHBondContact O-N 3.31Å; A1554-N1557 PolarHBondContact O-N 3.18Å; N1557-S1559 PolarHBondContact O-N 3.22Å; N1557-N1560 PolarHBondContact O-N 3Å
1558L38.2Very low47.9Very low91 Ų9187.9 Ų87.948%0.47649%0.485SS..G310 helixtrans-69.4-12.8178.9-84.3108000114.6H1375 A1554 N1560H1375-L1558 HydrophobicContact CB-CD2 3.97Å; A1554-L1558 WeakPolarHBondContact O-CD1 3.46Å; A1554-L1558 PolarHBondContact O-N 3.25Å; L1558-N1560 PolarHBondContact O-N 3.19Å
1559S36.4Very low45.1Very low92 Ų9293.8 Ų93.864%0.64352%0.515SS*.G310 helixtrans-77.1-6.3176.957.60000114.6S1556 N1557S1556-S1559 PolarHBondContact O-OG 3.34Å; N1557-S1559 PolarHBondContact O-N 3.22Å
1560N29Very low42.5Very low42 Ų4297.5 Ų97.523%0.22554%0.535CS..G310 helixtrans-116.80.3-167.2-75.735.9000114.2N1557 L1558 R1562 E1631 K1635N1557-N1560 PolarHBondContact O-N 3Å; L1558-N1560 PolarHBondContact O-N 3.19Å; N1560-R1562 PolarHBondContact O-N 3.35Å; N1560-E1631 WeakPolarHBondContact CB-OE2 3.06Å; N1560-E1631 PolarHBondContact ND2-OE2 3.46Å; N1560-K1635 PolarHBondContact ND2-NZ 2.98Å; N1560-K1635 VanDerWaalsContact ND2-NZ 3.16Å; N1560-K1635 PolarHBondContact OD1-NZ 3.12Å
1561S28.7Very low40.6Very low97 Ų97101 Ų10168%0.67855%0.553SS**  trans-101.374.7-176.859.10000112.6
1562R24.7Very low38Very low249 Ų249107.8 Ų107.894%0.9459%0.586SS**  trans-135.343.7169.7-150.2-179.7-167.3-172.24112.5N1560N1560-R1562 PolarHBondContact O-N 3.35Å
1563S26.5Very low35.4Very low102 Ų102113 Ų11371%0.71361%0.605SS**  trans-143.7140.9166.453.20000112.3
1564S24.7Very low33.4Very low100 Ų100107.9 Ų107.970%0.69959%0.586SS**  trans-44.1147.8176.239.70000117.9
1565Y23.8Very low32Very low229 Ų229114.1 Ų114.190%0.89861%0.609SS**  trans41.2107.1141.3-71.3-95.7000119
1566S24.1Very low31.1Very low116 Ų116118.3 Ų118.381%0.81162%0.622SS**  176.8155.2113.345.40000112.4
1567P24.4Very low30.3Very low94 Ų94120.1 Ų120.161%0.6163%0.629SS**  trans-122.3100.2-160.818.76.3000113.8L1193L1193-P1567 HydrophobicContact CB-CB 4.4Å; L1193-P1567 HydrophobicContact CD1-CB 3.44Å; L1193-P1567 VanDerWaalsContact CD1-CB 3.44Å
1568S24.1Very low30.1Very low96 Ų96116.5 Ų116.567%0.67161%0.609SS**  trans-176.7167.4157.449.10000113.4
1569L24.7Very low30.2Very low123 Ų123116 Ų11664%0.64460%0.603SS**  trans54.288.3161.4-66157.2000118.4
1570K29Very low30.4Very low201 Ų201114.8 Ų114.887%0.87459%0.592SS**  trans-119.589.2145.6-78.3-172.5177.7176.20109.7
1571N29.4Very low30.9Very low106 Ų106115.5 Ų115.557%0.56760%0.598SS**  trans-62.1161.9156.4-75.1-15.5000109.4Y1573N1571-Y1573 VanDerWaalsContact O-CD2 3.27Å; N1571-Y1573 WeakPolarHBondContact O-CD2 3.45Å; N1571-Y1573 PolarHBondContact O-N 3.06Å; N1571-Y1573 VanDerWaalsContact O-N 3.08Å
1572E26.5Very low32.1Very low166 Ų166114.1 Ų114.178%0.77659%0.588SS**  trans-57.4111.3162.2-64.6177.1107.400109.1
1573Y28.3Very low33.4Very low117 Ų117107.6 Ų107.646%0.45957%0.567SS.*  trans-85129.6172-80.2-89.8000109.2N1571 Q1575 F1607N1571-Y1573 VanDerWaalsContact O-CD2 3.27Å; N1571-Y1573 WeakPolarHBondContact O-CD2 3.45Å; N1571-Y1573 PolarHBondContact O-N 3.06Å; N1571-Y1573 VanDerWaalsContact O-N 3.08Å; Y1573-Q1575 PolarHBondContact O-N 3.47Å; Y1573-F1607 HydrophobicContact CD1-CZ 4.43Å; Y1573-F1607 HydrophobicContact CE1-CE1 4.08Å; Y1573-F1607 HydrophobicContact CE1-CE2 4.02Å; Y1573-F1607 AromaticContact CE1-CZ 3.54Å; Y1573-F1607 HydrophobicContact CE1-CZ 3.54Å
1574P33.4Very low34.4Very low31 Ų31106.3 Ų106.320%0.20155%0.554CS.*  trans-63.8107.5175.3-16.829.3000110.1H1576 Q1603 M1604P1574-H1576 PolarHBondContact O-N 3.1Å; P1574-Q1603 HydrophobicContact CG-CB 4.23Å; P1574-M1604 HydrophobicContact CB-CE 3.9Å; P1574-M1604 HydrophobicContact CB-SD 4.04Å; P1574-M1604 HydrophobicContact CG-SD 4.07Å; P1574-M1604 WeakPolarHBondContact O-CE 3.48Å
1575Q37.4Very low35.7Very low169 Ų169102.5 Ų102.579%0.7953%0.527SS*.  trans-76.514-172.7-72.6-156-14.700115.4Y1573Y1573-Q1575 PolarHBondContact O-N 3.47Å
1576H41.4Very low36.8Very low110 Ų11096.5 Ų96.551%0.50952%0.515SS..  trans-134.889.3-175.5-61.6-57.9000111.8T1469 P1574T1469-H1576 HydrophobicContact CG2-CB 3.88Å; P1574-H1576 PolarHBondContact O-N 3.1Å
1577L38.4Very low38Very low77 Ų7794.3 Ų94.340%0.40349%0.494SS..  trans-85.5111.1154.8-125.8154.1000105.9F1579 I1598 I1600 M1604L1577-F1579 HydrophobicContact CB-CE2 4.1Å; L1577-F1579 HydrophobicContact CD2-CE2 3.92Å; L1577-F1579 HydrophobicContact CD2-CZ 4.16Å; L1577-F1579 HydrophobicContact CG-CE2 4.47Å; L1577-F1579 PolarHBondContact O-N 3.4Å; L1577-I1598 HydrophobicContact CD2-CG2 3.32Å; L1577-I1600 HydrophobicContact CD1-CG2 4.44Å; L1577-I1600 HydrophobicContact CD2-CG2 3.69Å; L1577-I1600 HydrophobicContact CG-CG2 3.84Å; L1577-M1604 HydrophobicContact CB-CE 4.24Å; L1577-M1604 HydrophobicContact CD1-CE 4.23Å; L1577-M1604 HydrophobicContact CG-CE 3.98Å
1578L39.9Very low39.3Very low39 Ų3996 Ų9620%0.20451%0.508CS..EExtended strand (participates in β ladder)trans-84.9110.4-178.4-129.991.8000109.1I1468 I1598 S1599I1468-L1578 HydrophobicContact CD1-CD2 4.09Å; I1468-L1578 HydrophobicContact CG1-CD1 4.1Å; I1468-L1578 HydrophobicContact CG1-CD2 3.8Å; L1578-I1598 WeakPolarHBondContact O-CA 3.28Å; L1578-S1599 PolarHBondContact N-O 2.98Å; L1578-S1599 VanDerWaalsContact N-O 3.12Å; L1578-S1599 PolarHBondContact O-N 3.26Å
1579F39.6Very low40.7Very low79 Ų7998.4 Ų98.435%0.34651%0.509SS..EExtended strand (participates in β ladder)trans-95.8112.7169-72.9-93.5000108.9L1577 I1598 L1637L1577-F1579 HydrophobicContact CB-CE2 4.1Å; L1577-F1579 HydrophobicContact CD2-CE2 3.92Å; L1577-F1579 HydrophobicContact CD2-CZ 4.16Å; L1577-F1579 HydrophobicContact CG-CE2 4.47Å; L1577-F1579 PolarHBondContact O-N 3.4Å; F1579-I1598 HydrophobicContact CD1-CD1 4.03Å; F1579-I1598 HydrophobicContact CD1-CG1 3.87Å; F1579-I1598 HydrophobicContact CE1-CD1 3.5Å; F1579-I1598 HydrophobicContact CE1-CG1 3.87Å; F1579-I1598 HydrophobicContact CZ-CD1 4.27Å; F1579-L1637 HydrophobicContact CE2-CD2 4.15Å; F1579-L1637 HydrophobicContact CZ-CD2 3.91Å
1580T39.7Very low42Very low67 Ų6798 Ų9841%0.41151%0.507SS..EExtended strand (participates in β ladder)trans-111.1118.8172.4-5.10000108.5S1582 K1597T1580-S1582 PolarHBondContact O-N 2.71Å; T1580-K1597 PolarHBondContact N-O 3.38Å; T1580-K1597 PolarHBondContact O-N 3.37Å; T1580-K1597 PolarHBondContact OG1-O 3.22Å
1581V40.9Very low43.3Very low58 Ų5891.4 Ų91.435%0.35248%0.479SS..EExtended strand (participates in β ladder)trans-72.2110.9167.3-179.80000106.8V1584 V1594 H1595 F1596V1581-V1584 HydrophobicContact CG1-CG2 3.65Å; V1581-V1594 HydrophobicContact CG1-CG1 4.07Å; V1581-H1595 CarbonylContact C-O 3.56Å; V1581-H1595 WeakPolarHBondContact CA-O 2.96Å; V1581-F1596 HydrophobicContact CG2-CD1 4.09Å; V1581-F1596 HydrophobicContact CG2-CE1 3.83Å
1582S52.7Low44.4Very low67 Ų6788.1 Ų88.147%0.46946%0.46SS..EExtended strand (participates in β ladder)trans-86.6-27.2-175.354.70000112.5T1580 H1595T1580-S1582 PolarHBondContact O-N 2.71Å; S1582-H1595 PolarHBondContact N-O 3.04Å; S1582-H1595 VanDerWaalsContact OG-CB 3.27Å; S1582-H1595 WeakPolarHBondContact OG-CB 3.24Å; S1582-H1595 PolarHBondContact OG-O 2.84Å
1583K51.8Low45.8Very low113 Ų11382.5 Ų82.549%0.49143%0.434SS..EExtended strand (participates in β ladder)trans-156140.8177.8-155.7-176.5178.1-150.20110.7C1585 H1595K1583-C1585 VanDerWaalsContact CD-SG 3.53Å; K1583-C1585 WeakPolarHBondContact CE-SG 3.15Å; K1583-C1585 PolarHBondContact NZ-SG 3.12Å; K1583-H1595 HydrophobicContact CB-CB 3.98Å; K1583-H1595 PolarHBondContact O-N 3.37Å
1584V47.8Very low47Very low75 Ų7577.4 Ų77.446%0.45542%0.415SS..EExtended strand (participates in β ladder)trans-122.7117.3162.3-177.50000106.7V1581 E1593 V1594V1581-V1584 HydrophobicContact CG1-CG2 3.65Å; V1584-E1593 CarbonylContact C-O 3.56Å; V1584-E1593 WeakPolarHBondContact CA-O 3.34Å; V1584-V1594 HydrophobicContact CG2-CG1 4.39Å
1585C52.1Low47.9Very low19 Ų1978.1 Ų78.113%0.12842%0.415CS..EExtended strand (participates in β ladder)trans-104.3136.9171.9-43.50000108.9K1583 F1592 E1593K1583-C1585 VanDerWaalsContact CD-SG 3.53Å; K1583-C1585 WeakPolarHBondContact CE-SG 3.15Å; K1583-C1585 PolarHBondContact NZ-SG 3.12Å; C1585-F1592 WeakPolarHBondContact O-CA 3.42Å; C1585-E1593 HydrophobicContact CB-CB 3.9Å; C1585-E1593 PolarHBondContact N-O 2.67Å; C1585-E1593 PolarHBondContact O-N 3.04Å; C1585-E1593 PolarHBondContact SG-OE2 3.29Å
1586T47.4Very low48.5Very low104 Ų10471.5 Ų71.564%0.63838%0.384SS*.EExtended strand (participates in β ladder)trans-107.7112.1164.557.60000108.1F1592T1586-F1592 HydrophobicContact CG2-CD1 3.83Å; T1586-F1592 HydrophobicContact CG2-CE1 3.68Å
1587N48.4Very low49Very low70 Ų7069.5 Ų69.537%0.37437%0.374SS..EExtended strand (participates in β ladder)trans-78151170.9-58.4-9.8000107.8Q1589 Q1591N1587-Q1589 PolarHBondContact O-N 3.37Å; N1587-Q1591 HydrophobicContact CB-CB 3.9Å; N1587-Q1591 PolarHBondContact N-O 2.89Å; N1587-Q1591 PolarHBondContact ND2-OE1 2.96Å
1588S51.8Low49.6Very low129 Ų12966.4 Ų66.490%0.90236%0.357SS*.THydrogen-bonded Turntrans-69.218.6-179.352.90000115
1589Q53.7Low50.1Low147 Ų14766.7 Ų66.769%0.68736%0.363SS*.THydrogen-bonded Turntrans-14053-174.7-66-172.1-33.900111N1587 Q1591N1587-Q1589 PolarHBondContact O-N 3.37Å; Q1589-Q1591 PolarHBondContact O-N 3.22Å
1590D53.4Low50.9Low113 Ų11363.4 Ų63.460%0.60435%0.349SS*.THydrogen-bonded Turntrans47.228.5174.7-67.2-38.8000115.9
1591Q55.3Low51.6Low64 Ų6463.2 Ų63.230%0.29935%0.347SS..EExtended strand (participates in β ladder)trans-110.6122.4-178.8-94.6176.214.400109.4N1587 Q1589 K1688N1587-Q1591 HydrophobicContact CB-CB 3.9Å; N1587-Q1591 PolarHBondContact N-O 2.89Å; N1587-Q1591 PolarHBondContact ND2-OE1 2.96Å; Q1589-Q1591 PolarHBondContact O-N 3.22Å; Q1591-K1688 WeakPolarHBondContact CA-O 3.26Å; Q1591-K1688 HydrophobicContact CG-CB 3.85Å
1592F53Low52.5Low36 Ų3664.1 Ų64.116%0.15835%0.351CS..EExtended strand (participates in β ladder)trans-110108.9178.7-68.4-92.1000109.5C1585 T1586 F1647 M1687 K1688 M1689 E1690C1585-F1592 WeakPolarHBondContact O-CA 3.42Å; T1586-F1592 HydrophobicContact CG2-CD1 3.83Å; T1586-F1592 HydrophobicContact CG2-CE1 3.68Å; F1592-F1647 HydrophobicContact CD1-CZ 4.39Å; F1592-F1647 HydrophobicContact CE1-CE1 4.06Å; F1592-F1647 AromaticContact CE1-CZ 3.98Å; F1592-F1647 HydrophobicContact CE1-CZ 3.98Å; F1592-F1647 AromaticContact CZ-CE1 3.99Å; F1592-F1647 HydrophobicContact CZ-CE1 3.99Å; F1592-F1647 HydrophobicContact CZ-CZ 4.17Å; F1592-M1687 HydrophobicContact CE2-CE 4.1Å; F1592-M1687 HydrophobicContact CE2-SD 4.09Å; F1592-K1688 PolarHBondContact N-O 2.96Å; F1592-M1689 HydrophobicContact CB-CG 4.14Å; F1592-M1689 CarbonylContact O-C 3.07Å; F1592-M1689 VanDerWaalsContact O-CA 3.3Å; F1592-M1689 WeakPolarHBondContact O-CA 2.92Å; F1592-E1690 PolarHBondContact O-N 2.81Å
1593E55.6Low52.5Low49 Ų4967.4 Ų67.423%0.22936%0.359CS..EExtended strand (participates in β ladder)trans-91120.2173.9-164.1-171.4-143.700108.4V1584 C1585 H1595 E1690V1584-E1593 CarbonylContact C-O 3.56Å; V1584-E1593 WeakPolarHBondContact CA-O 3.34Å; C1585-E1593 HydrophobicContact CB-CB 3.9Å; C1585-E1593 PolarHBondContact N-O 2.67Å; C1585-E1593 PolarHBondContact O-N 3.04Å; C1585-E1593 PolarHBondContact SG-OE2 3.29Å; E1593-H1595 IonicContact OE1-NE2 3.6Å; E1593-H1595 IonicContact OE2-NE2 2.61Å; E1593-E1690 HydrophobicContact CG-CB 4.29Å
1594V53.1Low52.6Low9 Ų963 Ų636%0.05534%0.34CS..EExtended strand (participates in β ladder)trans-122.2109.9-177.4-169.40000109.9V1581 V1584 F1596 E1690 T1692V1581-V1594 HydrophobicContact CG1-CG1 4.07Å; V1584-V1594 HydrophobicContact CG2-CG1 4.39Å; V1594-F1596 HydrophobicContact CB-CE2 3.88Å; V1594-F1596 HydrophobicContact CG1-CD2 4.03Å; V1594-F1596 HydrophobicContact CG1-CE2 3.31Å; V1594-F1596 HydrophobicContact CG1-CZ 3.6Å; V1594-E1690 PolarHBondContact N-O 2.71Å; V1594-T1692 PolarHBondContact O-N 3.3Å; V1594-T1692 VanDerWaalsContact O-N 3.14Å
1595H52.7Low53.3Low47 Ų4762.4 Ų62.422%0.21833%0.329CS..EExtended strand (participates in β ladder)trans-90.2125.2174.4-73.4-122.1000110.6V1581 S1582 K1583 E1593V1581-H1595 CarbonylContact C-O 3.56Å; V1581-H1595 WeakPolarHBondContact CA-O 2.96Å; S1582-H1595 PolarHBondContact N-O 3.04Å; S1582-H1595 VanDerWaalsContact OG-CB 3.27Å; S1582-H1595 WeakPolarHBondContact OG-CB 3.24Å; S1582-H1595 PolarHBondContact OG-O 2.84Å; K1583-H1595 HydrophobicContact CB-CB 3.98Å; K1583-H1595 PolarHBondContact O-N 3.37Å; E1593-H1595 IonicContact OE1-NE2 3.6Å; E1593-H1595 IonicContact OE2-NE2 2.61Å
1596F50.4Low53.6Low29 Ų2966.5 Ų66.513%0.12735%0.345CS..EExtended strand (participates in β ladder)trans-107.5124.7172-66.4-93.7000109.3V1581 V1594 F1691 T1692 I1693 E1694V1581-F1596 HydrophobicContact CG2-CD1 4.09Å; V1581-F1596 HydrophobicContact CG2-CE1 3.83Å; V1594-F1596 HydrophobicContact CB-CE2 3.88Å; V1594-F1596 HydrophobicContact CG1-CD2 4.03Å; V1594-F1596 HydrophobicContact CG1-CE2 3.31Å; V1594-F1596 HydrophobicContact CG1-CZ 3.6Å; F1596-F1691 HydrophobicContact CD2-CD1 4.45Å; F1596-F1691 AromaticContact CE2-CD1 3.77Å; F1596-F1691 HydrophobicContact CE2-CD1 3.77Å; F1596-F1691 HydrophobicContact CE2-CE1 4.29Å; F1596-T1692 PolarHBondContact N-O 3.47Å; F1596-I1693 WeakPolarHBondContact O-CA 3.19Å; F1596-E1694 PolarHBondContact O-N 2.88Å
1597K51.1Low53.6Low68 Ų6864.4 Ų64.430%0.29633%0.327SS..EExtended strand (participates in β ladder)trans-100.5115.1164.9-166.6172.4-167.21170109T1580 E1694T1580-K1597 PolarHBondContact N-O 3.38Å; T1580-K1597 PolarHBondContact O-N 3.37Å; T1580-K1597 PolarHBondContact OG1-O 3.22Å; K1597-E1694 WeakPolarHBondContact CA-O 2.98Å; K1597-E1694 VanDerWaalsContact CD-OE2 3.29Å; K1597-E1694 WeakPolarHBondContact CD-OE2 3.45Å; K1597-E1694 WeakPolarHBondContact CE-OE2 3.38Å; K1597-E1694 HydrophobicContact CG-CB 4.37Å; K1597-E1694 WeakPolarHBondContact CG-OE2 3.34Å; K1597-E1694 IonicContact NZ-OE1 3.74Å; K1597-E1694 PolarHBondContact NZ-OE1 3.06Å; K1597-E1694 IonicContact NZ-OE2 2.67Å; K1597-E1694 PolarHBondContact NZ-OE2 3.32Å
1598I52Low53.9Low12 Ų1263.2 Ų63.26%0.06232%0.324CS..EExtended strand (participates in β ladder)trans-102122.2180-56.9-175.8000108.2L1577 L1578 F1579 I1693 E1694 L1695 T1696L1577-I1598 HydrophobicContact CD2-CG2 3.32Å; L1578-I1598 WeakPolarHBondContact O-CA 3.28Å; F1579-I1598 HydrophobicContact CD1-CD1 4.03Å; F1579-I1598 HydrophobicContact CD1-CG1 3.87Å; F1579-I1598 HydrophobicContact CE1-CD1 3.5Å; F1579-I1598 HydrophobicContact CE1-CG1 3.87Å; F1579-I1598 HydrophobicContact CZ-CD1 4.27Å; I1598-I1693 HydrophobicContact CD1-CG2 3.48Å; I1598-I1693 VanDerWaalsContact CD1-CG2 3.48Å; I1598-I1693 HydrophobicContact CG1-CG2 4.07Å; I1598-E1694 PolarHBondContact N-O 3.33Å; I1598-L1695 HydrophobicContact CB-CD2 3.97Å; I1598-L1695 HydrophobicContact CB-CG 4.43Å; I1598-L1695 HydrophobicContact CG2-CD2 3.87Å; I1598-T1696 PolarHBondContact O-N 3.45Å; I1598-T1696 PolarHBondContact O-OG1 2.83Å
1599S50.4Low54Low46 Ų4660.8 Ų60.832%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-108.8121.1170.6-580000110.1L1578 T1696L1578-S1599 PolarHBondContact N-O 2.98Å; L1578-S1599 VanDerWaalsContact N-O 3.12Å; L1578-S1599 PolarHBondContact O-N 3.26Å; S1599-T1696 WeakPolarHBondContact CA-O 3.21Å; S1599-T1696 PolarHBondContact OG-OG1 3.01Å
1600I54.7Low54Low9 Ų958.2 Ų58.25%0.04629%0.288CS..  trans-112.8134.9178.326.9175000109L1577 M1604 W1605 F1667 L1695 T1696 V1697L1577-I1600 HydrophobicContact CD1-CG2 4.44Å; L1577-I1600 HydrophobicContact CD2-CG2 3.69Å; L1577-I1600 HydrophobicContact CG-CG2 3.84Å; I1600-M1604 HydrophobicContact CB-CB 4.34Å; I1600-M1604 HydrophobicContact CG2-CB 4.24Å; I1600-M1604 HydrophobicContact CG2-CG 3.99Å; I1600-W1605 HydrophobicContact CD1-CE3 4.04Å; I1600-F1667 HydrophobicContact CD1-CE1 4.21Å; I1600-L1695 HydrophobicContact CD1-CD2 3.77Å; I1600-L1695 HydrophobicContact CG1-CD2 4.18Å; I1600-T1696 VanDerWaalsContact CG1-O 3.23Å; I1600-T1696 WeakPolarHBondContact CG1-O 3.21Å; I1600-T1696 PolarHBondContact N-O 3.38Å; I1600-V1697 HydrophobicContact CD1-CG2 3.96Å; I1600-V1697 HydrophobicContact CG1-CG2 4.1Å; I1600-V1697 WeakPolarHBondContact O-CA 3.28Å; I1600-V1697 VanDerWaalsContact O-OXT 3.07Å
1601T54.9Low53.6Low63 Ų6358.2 Ų58.239%0.38728%0.283SS..  trans-71.9154.4178.159.60000111.7Q1603 M1604 W1605T1601-Q1603 PolarHBondContact O-N 2.91Å; T1601-Q1603 VanDerWaalsContact O-N 3.13Å; T1601-M1604 CarbonylContact O-C 3.54Å; T1601-M1604 WeakPolarHBondContact O-CA 3.14Å; T1601-M1604 VanDerWaalsContact O-CB 3.31Å; T1601-M1604 WeakPolarHBondContact O-CB 3.48Å; T1601-M1604 PolarHBondContact O-N 3.3Å; T1601-M1604 PolarHBondContact OG1-N 3.23Å; T1601-W1605 PolarHBondContact O-N 3.36Å
1602D61.3Low53.4Low78 Ų7858.1 Ų58.142%0.41729%0.294SS..Hα-helixtrans-53.4-32.1174.3170.465.4000113.4W1605 K1606D1602-W1605 PolarHBondContact O-N 3.29Å; D1602-K1606 VanDerWaalsContact CG-NZ 3.29Å; D1602-K1606 WeakPolarHBondContact O-CB 3.17Å; D1602-K1606 WeakPolarHBondContact O-CG 3.27Å; D1602-K1606 PolarHBondContact O-N 3.35Å; D1602-K1606 VanDerWaalsContact OD1-CE 3.29Å; D1602-K1606 WeakPolarHBondContact OD1-CE 3.02Å; D1602-K1606 IonicContact OD1-NZ 2.72Å; D1602-K1606 PolarHBondContact OD1-NZ 2.59Å; D1602-K1606 VanDerWaalsContact OD1-NZ 3.12Å; D1602-K1606 IonicContact OD2-NZ 2.73Å; D1602-K1606 PolarHBondContact OD2-NZ 3.45Å
1603Q52.3Low52.9Low136 Ų13662.5 Ų62.564%0.63632%0.319SS*.Hα-helixtrans-65.3-39.9169.6-84.1-168.2-24.600113.1P1574 T1601 F1607P1574-Q1603 HydrophobicContact CG-CB 4.23Å; T1601-Q1603 PolarHBondContact O-N 2.91Å; T1601-Q1603 VanDerWaalsContact O-N 3.13Å; Q1603-F1607 WeakPolarHBondContact O-CB 3.34Å; Q1603-F1607 PolarHBondContact O-N 2.98Å
1604M53.3Low52.3Low21 Ų2167.4 Ų67.410%0.10334%0.341CS..Hα-helixtrans-69.3-40.1175.6-157.1100.371.900110.8P1574 L1577 I1600 T1601 F1607 C1608P1574-M1604 HydrophobicContact CB-CE 3.9Å; P1574-M1604 HydrophobicContact CB-SD 4.04Å; P1574-M1604 HydrophobicContact CG-SD 4.07Å; P1574-M1604 WeakPolarHBondContact O-CE 3.48Å; L1577-M1604 HydrophobicContact CB-CE 4.24Å; L1577-M1604 HydrophobicContact CD1-CE 4.23Å; L1577-M1604 HydrophobicContact CG-CE 3.98Å; I1600-M1604 HydrophobicContact CB-CB 4.34Å; I1600-M1604 HydrophobicContact CG2-CB 4.24Å; I1600-M1604 HydrophobicContact CG2-CG 3.99Å; T1601-M1604 CarbonylContact O-C 3.54Å; T1601-M1604 WeakPolarHBondContact O-CA 3.14Å; T1601-M1604 VanDerWaalsContact O-CB 3.31Å; T1601-M1604 WeakPolarHBondContact O-CB 3.48Å; T1601-M1604 PolarHBondContact O-N 3.3Å; T1601-M1604 PolarHBondContact OG1-N 3.23Å; M1604-F1607 WeakPolarHBondContact O-CB 3.48Å; M1604-F1607 PolarHBondContact O-N 3.27Å; M1604-C1608 WeakPolarHBondContact O-CB 3Å; M1604-C1608 PolarHBondContact O-N 3.33Å; M1604-C1608 PolarHBondContact O-SG 3.35Å; M1604-C1608 VanDerWaalsContact O-SG 3.32Å
1605W63.1Low51.5Low61 Ų6171.2 Ų71.223%0.23137%0.368CS..Hα-helixtrans-59.8-47172.9179.2-106.9000111.7I1600 T1601 D1602 F1607 C1608 Q1609 F1667 V1697I1600-W1605 HydrophobicContact CD1-CE3 4.04Å; T1601-W1605 PolarHBondContact O-N 3.36Å; D1602-W1605 PolarHBondContact O-N 3.29Å; W1605-F1607 VanDerWaalsContact C-N 3.34Å; W1605-F1607 PolarHBondContact O-N 3.45Å; W1605-C1608 WeakPolarHBondContact O-CB 3.29Å; W1605-C1608 PolarHBondContact O-N 2.62Å; W1605-Q1609 WeakPolarHBondContact O-CG 3.21Å; W1605-Q1609 PolarHBondContact O-N 2.76Å; W1605-F1667 HydrophobicContact CH2-CD1 4.46Å; W1605-F1667 AromaticContact CZ3-CD1 3.74Å; W1605-F1667 HydrophobicContact CZ3-CD1 3.74Å; W1605-F1667 HydrophobicContact CZ3-CE1 4.12Å; W1605-V1697 HydrophobicContact CB-CG1 3.67Å; W1605-V1697 HydrophobicContact CB-CG2 4.31Å; W1605-V1697 HydrophobicContact CD2-CG1 4.41Å; W1605-V1697 HydrophobicContact CD2-CG2 3.79Å; W1605-V1697 HydrophobicContact CE3-CG2 3.59Å; W1605-V1697 HydrophobicContact CG-CG1 3.86Å; W1605-V1697 HydrophobicContact CG-CG2 4.11Å; W1605-V1697 HydrophobicContact CZ3-CG2 4.17Å
1606K56.8Low50.4Low105 Ų10576.2 Ų76.246%0.45740%0.396SS..Hα-helixtrans-62.3-37.5173.1-77.6165.9179154.40112.7D1602 Q1609 I1610D1602-K1606 VanDerWaalsContact CG-NZ 3.29Å; D1602-K1606 WeakPolarHBondContact O-CB 3.17Å; D1602-K1606 WeakPolarHBondContact O-CG 3.27Å; D1602-K1606 PolarHBondContact O-N 3.35Å; D1602-K1606 VanDerWaalsContact OD1-CE 3.29Å; D1602-K1606 WeakPolarHBondContact OD1-CE 3.02Å; D1602-K1606 IonicContact OD1-NZ 2.72Å; D1602-K1606 PolarHBondContact OD1-NZ 2.59Å; D1602-K1606 VanDerWaalsContact OD1-NZ 3.12Å; D1602-K1606 IonicContact OD2-NZ 2.73Å; D1602-K1606 PolarHBondContact OD2-NZ 3.45Å; K1606-Q1609 PolarHBondContact O-N 3.46Å; K1606-I1610 WeakPolarHBondContact O-CD1 3.46Å; K1606-I1610 VanDerWaalsContact O-CG1 3.24Å; K1606-I1610 WeakPolarHBondContact O-CG1 3.33Å; K1606-I1610 PolarHBondContact O-N 3.44Å
1607F49.1Very low49.4Very low60 Ų6082.6 Ų82.626%0.26343%0.43SS..Hα-helixtrans-63.8-44.3173.6-173-91.7000111.6Y1573 Q1603 M1604 W1605 I1610 F1611Y1573-F1607 HydrophobicContact CD1-CZ 4.43Å; Y1573-F1607 HydrophobicContact CE1-CE1 4.08Å; Y1573-F1607 HydrophobicContact CE1-CE2 4.02Å; Y1573-F1607 AromaticContact CE1-CZ 3.54Å; Y1573-F1607 HydrophobicContact CE1-CZ 3.54Å; Q1603-F1607 WeakPolarHBondContact O-CB 3.34Å; Q1603-F1607 PolarHBondContact O-N 2.98Å; M1604-F1607 WeakPolarHBondContact O-CB 3.48Å; M1604-F1607 PolarHBondContact O-N 3.27Å; W1605-F1607 VanDerWaalsContact C-N 3.34Å; W1605-F1607 PolarHBondContact O-N 3.45Å; F1607-I1610 PolarHBondContact O-N 3.4Å; F1607-F1611 HydrophobicContact CD1-CD2 4.46Å; F1607-F1611 AromaticContact CE1-CD2 3.77Å; F1607-F1611 HydrophobicContact CE1-CD2 3.77Å; F1607-F1611 HydrophobicContact CE1-CE2 4.09Å; F1607-F1611 HydrophobicContact CE2-CD2 4.41Å; F1607-F1611 HydrophobicContact CE2-CE2 4.43Å; F1607-F1611 AromaticContact CZ-CD2 3.74Å; F1607-F1611 HydrophobicContact CZ-CD2 3.74Å; F1607-F1611 AromaticContact CZ-CE2 3.68Å; F1607-F1611 HydrophobicContact CZ-CE2 3.68Å; F1607-F1611 PolarHBondContact O-N 3.32Å
1608C54.7Low48.4Very low45 Ų4587.8 Ų87.830%0.30446%0.455SS..Hα-helixtrans-61.8-41.1173.1-69.80000112.2M1604 W1605 F1611 A1612M1604-C1608 WeakPolarHBondContact O-CB 3Å; M1604-C1608 PolarHBondContact O-N 3.33Å; M1604-C1608 PolarHBondContact O-SG 3.35Å; M1604-C1608 VanDerWaalsContact O-SG 3.32Å; W1605-C1608 WeakPolarHBondContact O-CB 3.29Å; W1605-C1608 PolarHBondContact O-N 2.62Å; C1608-F1611 PolarHBondContact O-N 3.27Å; C1608-A1612 VanDerWaalsContact O-CB 3.3Å; C1608-A1612 WeakPolarHBondContact O-CB 3.49Å; C1608-A1612 PolarHBondContact O-N 2.8Å
1609Q53.8Low47.2Very low78 Ų7896.9 Ų96.936%0.36450%0.495SS..Hα-helixtrans-64.7-40.2174.2-76.1-170.6-27.800112.8W1605 K1606 A1612 N1613W1605-Q1609 WeakPolarHBondContact O-CG 3.21Å; W1605-Q1609 PolarHBondContact O-N 2.76Å; K1606-Q1609 PolarHBondContact O-N 3.46Å; Q1609-A1612 PolarHBondContact O-N 3.4Å; Q1609-N1613 WeakPolarHBondContact O-CB 3.12Å; Q1609-N1613 PolarHBondContact O-N 3.45Å; Q1609-N1613 PolarHBondContact O-ND2 2.83Å
1610I52.1Low46.2Very low94 Ų94103.9 Ų103.948%0.48252%0.519SS..Hα-helixtrans-64.1-43.6176.7-70.2162.9000110.5K1606 F1607 N1613 Q1614K1606-I1610 WeakPolarHBondContact O-CD1 3.46Å; K1606-I1610 VanDerWaalsContact O-CG1 3.24Å; K1606-I1610 WeakPolarHBondContact O-CG1 3.33Å; K1606-I1610 PolarHBondContact O-N 3.44Å; F1607-I1610 PolarHBondContact O-N 3.4Å; I1610-N1613 PolarHBondContact O-N 2.79Å; I1610-Q1614 WeakPolarHBondContact O-CG 3.25Å; I1610-Q1614 PolarHBondContact O-N 2.76Å
1611F45.7Very low44.9Very low112 Ų112110 Ų11049%0.49156%0.557SS.*Hα-helixtrans-68.3-37.9176.7-112-87.4000113F1607 C1608 S1615F1607-F1611 HydrophobicContact CD1-CD2 4.46Å; F1607-F1611 AromaticContact CE1-CD2 3.77Å; F1607-F1611 HydrophobicContact CE1-CD2 3.77Å; F1607-F1611 HydrophobicContact CE1-CE2 4.09Å; F1607-F1611 HydrophobicContact CE2-CD2 4.41Å; F1607-F1611 HydrophobicContact CE2-CE2 4.43Å; F1607-F1611 AromaticContact CZ-CD2 3.74Å; F1607-F1611 HydrophobicContact CZ-CD2 3.74Å; F1607-F1611 AromaticContact CZ-CE2 3.68Å; F1607-F1611 HydrophobicContact CZ-CE2 3.68Å; F1607-F1611 PolarHBondContact O-N 3.32Å; C1608-F1611 PolarHBondContact O-N 3.27Å; F1611-S1615 PolarHBondContact O-OG 3.08Å
1612A51.5Low43.7Very low63 Ų63111.9 Ų111.952%0.52157%0.573SS.*Hα-helixtrans-62.5-42.4173.400000111.8C1608 Q1609C1608-A1612 VanDerWaalsContact O-CB 3.3Å; C1608-A1612 WeakPolarHBondContact O-CB 3.49Å; C1608-A1612 PolarHBondContact O-N 2.8Å; Q1609-A1612 PolarHBondContact O-N 3.4Å
1613N42.8Very low42.2Very low128 Ų128116.5 Ų116.568%0.68459%0.592SS**Hα-helixtrans-78-22.7-178-73.1-23.8000114.4Q1609 I1610 S1615Q1609-N1613 WeakPolarHBondContact O-CB 3.12Å; Q1609-N1613 PolarHBondContact O-N 3.45Å; Q1609-N1613 PolarHBondContact O-ND2 2.83Å; I1610-N1613 PolarHBondContact O-N 2.79Å; N1613-S1615 PolarHBondContact O-N 2.72Å
1614Q42.4Very low41.2Very low151 Ų151116.3 Ų116.371%0.70660%0.601SS**THydrogen-bonded Turntrans-79.13.7175.8-77.1-172.5-23.600114.3I1610I1610-Q1614 WeakPolarHBondContact O-CG 3.25Å; I1610-Q1614 PolarHBondContact O-N 2.76Å
1615S36.9Very low39.8Very low89 Ų89123 Ų12362%0.62264%0.636SS**THydrogen-bonded Turntrans-103.612.8-172.5-57.40000115.3F1611 N1613F1611-S1615 PolarHBondContact O-OG 3.08Å; N1613-S1615 PolarHBondContact O-N 2.72Å
1616L29.1Very low38.2Very low152 Ų152126.7 Ų126.780%0.79666%0.66SS**  trans-115.390.8170.9-87.986.8000111.9
1617I29.7Very low36.7Very low164 Ų164130.4 Ų130.484%0.84168%0.677SS**SBendtrans-153.2145.1132.3-64.3-159.2000106.6
1618E30.4Very low35.8Very low177 Ų177134.6 Ų134.683%0.82770%0.701SS**  trans-59.5140-169.4-58.1159.1118.500113.8
1619F26.3Very low34.8Very low202 Ų202136.2 Ų136.289%0.88671%0.706SS**  cis82.513949.2-99.7-78.2000117.1
1620K29.3Very low33.8Very low193 Ų193136 Ų13684%0.83971%0.711SS**  trans84.3127.2-174.6-57.2167.4-176.51690113.1
1621T28.1Very low33.1Very low138 Ų138135.6 Ų135.685%0.84771%0.707SS**  cis-157.4164.88.48.20000110.8
1622S28Very low32.7Very low103 Ų103133.7 Ų133.772%0.7271%0.707SS**  trans85.798168.8-137.80000119
1623E30.5Very low31.9Very low175 Ų175135.1 Ų135.182%0.81871%0.706SS**SBendtrans62.3112.4138.6-60.5-177.8159.300121.8
1624T30.8Very low31.6Very low132 Ų132132.5 Ų132.581%0.8169%0.69SS**  trans66.563.2155.419.30000118.8N1626T1624-N1626 PolarHBondContact O-N 2.71Å
1625L25.6Very low31.5Very low161 Ų161129.6 Ų129.684%0.84368%0.675SS**  trans-81.796.8160.8-91.3159.4000111.9F1627L1625-F1627 PolarHBondContact O-N 3.18Å
1626N28Very low31.5Very low139 Ų139129.5 Ų129.574%0.74367%0.673SS**  trans-79.4109.1162.3-83.4-36.2000109.5T1624 L1628T1624-N1626 PolarHBondContact O-N 2.71Å; N1626-L1628 PolarHBondContact O-N 2.98Å
1627F27Very low31.7Very low183 Ų183124.3 Ų124.380%0.80365%0.646SS**  trans-66.4112.9170.7-100-95.7000110L1625 I1629L1625-F1627 PolarHBondContact O-N 3.18Å; F1627-I1629 PolarHBondContact O-N 3.14Å
1628L29Very low32.1Very low148 Ų148119.3 Ų119.378%0.77562%0.619SS**  trans-68.595.3172.9-103.672.4000109.9N1626 P1630N1626-L1628 PolarHBondContact O-N 2.98Å; L1628-P1630 WeakPolarHBondContact O-CD 3.23Å
1629I32.8Very low32.3Very low79 Ų79115.4 Ų115.441%0.40560%0.603SS.*  trans-57.1126.1147.2-60.5178.3000105.4F1627 E1631 L1633 E1634F1627-I1629 PolarHBondContact O-N 3.14Å; I1629-E1631 PolarHBondContact O-N 3.47Å; I1629-L1633 HydrophobicContact CG2-CB 3.83Å; I1629-L1633 HydrophobicContact CG2-CD2 4.31Å; I1629-E1634 HydrophobicContact CG2-CB 4.2Å
1630P34.1Very low32.9Very low72 Ų72110 Ų11047%0.46859%0.586SS.*  trans-56.1129.6174.5-23.733.3000108.4L1628 S1632 L1633 E1634L1628-P1630 WeakPolarHBondContact O-CD 3.23Å; P1630-S1632 CarbonylContact O-C 3.58Å; P1630-S1632 PolarHBondContact O-N 2.89Å; P1630-L1633 HydrophobicContact CB-CB 4.48Å; P1630-L1633 WeakPolarHBondContact O-CA 3.16Å; P1630-L1633 WeakPolarHBondContact O-CB 3.24Å; P1630-L1633 PolarHBondContact O-N 2.79Å; P1630-E1634 PolarHBondContact O-N 3.4Å
1631E36.8Very low33.3Very low87 Ų87102 Ų10241%0.40756%0.556SS.*Hα-helixtrans-54.8-24-178.6-155.7-164.8160.500111.9N1560 I1629 K1635N1560-E1631 WeakPolarHBondContact CB-OE2 3.06Å; N1560-E1631 PolarHBondContact ND2-OE2 3.46Å; I1629-E1631 PolarHBondContact O-N 3.47Å; E1631-K1635 VanDerWaalsContact CD-NZ 3.31Å; E1631-K1635 HydrophobicContact CG-CD 4.38Å; E1631-K1635 VanDerWaalsContact O-CB 3.25Å; E1631-K1635 WeakPolarHBondContact O-CB 3.49Å; E1631-K1635 WeakPolarHBondContact O-CD 3.22Å; E1631-K1635 VanDerWaalsContact O-CG 3.22Å; E1631-K1635 WeakPolarHBondContact O-CG 3.21Å; E1631-K1635 PolarHBondContact O-N 3.03Å; E1631-K1635 WeakPolarHBondContact OE1-CE 3.41Å; E1631-K1635 IonicContact OE1-NZ 3.88Å; E1631-K1635 PolarHBondContact OE1-NZ 3.4Å; E1631-K1635 IonicContact OE2-NZ 3.64Å
1632S37.1Very low33.9Very low71 Ų71100.3 Ų100.350%0.49754%0.537SS..Hα-helixtrans-62.3-41169.4-39.70000114.3P1630 C1636P1630-S1632 CarbonylContact O-C 3.58Å; P1630-S1632 PolarHBondContact O-N 2.89Å; S1632-C1636 WeakPolarHBondContact O-CB 3.38Å; S1632-C1636 PolarHBondContact O-N 3.09Å; S1632-C1636 VanDerWaalsContact O-N 3.07Å; S1632-C1636 PolarHBondContact O-SG 2.76Å
1633L35.4Very low34.5Very low94 Ų94103.3 Ų103.349%0.49254%0.537SS..Hα-helixtrans-72.2-44.7-180-136.998.4000110.5I1629 P1630 C1636 L1637I1629-L1633 HydrophobicContact CG2-CB 3.83Å; I1629-L1633 HydrophobicContact CG2-CD2 4.31Å; P1630-L1633 HydrophobicContact CB-CB 4.48Å; P1630-L1633 WeakPolarHBondContact O-CA 3.16Å; P1630-L1633 WeakPolarHBondContact O-CB 3.24Å; P1630-L1633 PolarHBondContact O-N 2.79Å; L1633-C1636 WeakPolarHBondContact O-CB 3.45Å; L1633-C1636 PolarHBondContact O-N 3.3Å; L1633-C1636 VanDerWaalsContact O-N 3.11Å; L1633-L1637 HydrophobicContact CD2-CD1 4.47Å; L1633-L1637 PolarHBondContact O-N 2.96Å
1634E37.2Very low35.2Very low72 Ų7298.5 Ų98.534%0.33652%0.523SS..Hα-helixtrans-62.6-43.2176.5-167.2174.6-146.100111.2I1629 P1630 C1636 L1637 H1638I1629-E1634 HydrophobicContact CG2-CB 4.2Å; P1630-E1634 PolarHBondContact O-N 3.4Å; E1634-C1636 VanDerWaalsContact C-N 3.32Å; E1634-C1636 PolarHBondContact O-N 3.08Å; E1634-L1637 PolarHBondContact O-N 2.81Å; E1634-H1638 WeakPolarHBondContact O-CB 3.01Å; E1634-H1638 PolarHBondContact O-N 3.39Å
1635K39.7Very low35.6Very low90 Ų9094.4 Ų94.439%0.39150%0.496SS..Hα-helixtrans-63.7-30.3171.8-76.6167.1170.5164.10113.4N1560 E1631 I1639N1560-K1635 PolarHBondContact ND2-NZ 2.98Å; N1560-K1635 VanDerWaalsContact ND2-NZ 3.16Å; N1560-K1635 PolarHBondContact OD1-NZ 3.12Å; E1631-K1635 VanDerWaalsContact CD-NZ 3.31Å; E1631-K1635 HydrophobicContact CG-CD 4.38Å; E1631-K1635 VanDerWaalsContact O-CB 3.25Å; E1631-K1635 WeakPolarHBondContact O-CB 3.49Å; E1631-K1635 WeakPolarHBondContact O-CD 3.22Å; E1631-K1635 VanDerWaalsContact O-CG 3.22Å; E1631-K1635 WeakPolarHBondContact O-CG 3.21Å; E1631-K1635 PolarHBondContact O-N 3.03Å; E1631-K1635 WeakPolarHBondContact OE1-CE 3.41Å; E1631-K1635 IonicContact OE1-NZ 3.88Å; E1631-K1635 PolarHBondContact OE1-NZ 3.4Å; E1631-K1635 IonicContact OE2-NZ 3.64Å; K1635-I1639 WeakPolarHBondContact O-CD1 3.46Å; K1635-I1639 VanDerWaalsContact O-CG1 3.29Å; K1635-I1639 WeakPolarHBondContact O-CG1 3.03Å
1636C35.6Very low36.2Very low87 Ų8792.2 Ų92.259%0.58849%0.491SS*.Hα-helixtrans-74.7-40174-80.20000113S1632 L1633 E1634 T1640S1632-C1636 WeakPolarHBondContact O-CB 3.38Å; S1632-C1636 PolarHBondContact O-N 3.09Å; S1632-C1636 VanDerWaalsContact O-N 3.07Å; S1632-C1636 PolarHBondContact O-SG 2.76Å; L1633-C1636 WeakPolarHBondContact O-CB 3.45Å; L1633-C1636 PolarHBondContact O-N 3.3Å; L1633-C1636 VanDerWaalsContact O-N 3.11Å; E1634-C1636 VanDerWaalsContact C-N 3.32Å; E1634-C1636 PolarHBondContact O-N 3.08Å; C1636-T1640 PolarHBondContact O-OG1 3.45Å
1637L35.1Very low36.7Very low44 Ų4489.7 Ų89.723%0.2347%0.474CS..Hα-helixtrans-66.3-48176.7-78.6157.8000111.5F1579 L1633 E1634 I1639 T1640 F1660F1579-L1637 HydrophobicContact CE2-CD2 4.15Å; F1579-L1637 HydrophobicContact CZ-CD2 3.91Å; L1633-L1637 HydrophobicContact CD2-CD1 4.47Å; L1633-L1637 PolarHBondContact O-N 2.96Å; E1634-L1637 PolarHBondContact O-N 2.81Å; L1637-I1639 VanDerWaalsContact C-N 3.29Å; L1637-I1639 PolarHBondContact O-N 2.79Å; L1637-T1640 PolarHBondContact O-N 2.81Å; L1637-F1660 HydrophobicContact CD2-CE1 4.17Å; L1637-F1660 HydrophobicContact CD2-CZ 4.45Å
1638H37.6Very low37.1Very low58 Ų5888 Ų8827%0.26948%0.479SS..Hα-helixtrans-63-28.3-177.1-105-78.9000115E1634E1634-H1638 WeakPolarHBondContact O-CB 3.01Å; E1634-H1638 PolarHBondContact O-N 3.39Å
1639I34.6Very low37.3Very low96 Ų9685.8 Ų85.849%0.49247%0.468SS..Hα-helixtrans-89-21.3-172-67.5176.1000112.7K1635 L1637 K1643K1635-I1639 WeakPolarHBondContact O-CD1 3.46Å; K1635-I1639 VanDerWaalsContact O-CG1 3.29Å; K1635-I1639 WeakPolarHBondContact O-CG1 3.03Å; L1637-I1639 VanDerWaalsContact C-N 3.29Å; L1637-I1639 PolarHBondContact O-N 2.79Å; I1639-K1643 HydrophobicContact CG2-CD 4.28Å; I1639-K1643 WeakPolarHBondContact O-CD 3.45Å; I1639-K1643 WeakPolarHBondContact O-CG 3.44Å
1640T38.6Very low37.4Very low88 Ų8886.5 Ų86.554%0.5448%0.48SS..Hα-helixtrans-93.3-40.1-168.5-47.70000112.9C1636 L1637C1636-T1640 PolarHBondContact O-OG1 3.45Å; L1637-T1640 PolarHBondContact O-N 2.81Å
1641A37.5Very low37.6Very low25 Ų2589.7 Ų89.721%0.20749%0.493CS..SBendtrans-74.2-36.2-174.500000114.7S1644A1641-S1644 PolarHBondContact O-OG 2.74Å
1642F39.9Very low37.8Very low102 Ų10289.4 Ų89.445%0.44749%0.493SS..SBendtrans-89.4-13.8-173.7-83.2-82.6000115L1645F1642-L1645 HydrophobicContact CD1-CD1 4.22Å
1643K41.1Very low37.9Very low167 Ų16791.3 Ų91.373%0.72650%0.497SS*.THydrogen-bonded Turntrans-81.6-10.8-177.8-78.9-171.6175.2-179.20114.8I1639I1639-K1643 HydrophobicContact CG2-CD 4.28Å; I1639-K1643 WeakPolarHBondContact O-CD 3.45Å; I1639-K1643 WeakPolarHBondContact O-CG 3.44Å
1644S46.4Very low37.8Very low73 Ų7390 Ų9051%0.5151%0.506SS..THydrogen-bonded Turntrans-91-7.8178.746.10000113.8A1641A1641-S1644 PolarHBondContact O-OG 2.74Å
1645L38.4Very low37.7Very low46 Ų4689.9 Ų89.924%0.24151%0.513CS..  trans-87.1124.8-177.3-75162.8000112F1642 F1647F1642-L1645 HydrophobicContact CD1-CD1 4.22Å; L1645-F1647 VanDerWaalsContact C-N 3.35Å; L1645-F1647 HydrophobicContact CB-CD2 3.78Å; L1645-F1647 HydrophobicContact CB-CE2 3.86Å; L1645-F1647 HydrophobicContact CD1-CE2 4.19Å; L1645-F1647 HydrophobicContact CD2-CE2 4.09Å; L1645-F1647 HydrophobicContact CG-CE2 4.27Å; L1645-F1647 PolarHBondContact O-N 2.81Å
1646P39Very low37.5Very low115 Ų11587.2 Ų87.275%0.74751%0.506SS*.  trans-83.871.5-178.235-35.8000111.8
1647F37.4Very low37.3Very low86 Ų8688.7 Ų88.738%0.37751%0.506SS..  trans-99.4114.5173.1-70.8-64.9000111.9F1592 L1645 N1649F1592-F1647 HydrophobicContact CD1-CZ 4.39Å; F1592-F1647 HydrophobicContact CE1-CE1 4.06Å; F1592-F1647 AromaticContact CE1-CZ 3.98Å; F1592-F1647 HydrophobicContact CE1-CZ 3.98Å; F1592-F1647 AromaticContact CZ-CE1 3.99Å; F1592-F1647 HydrophobicContact CZ-CE1 3.99Å; F1592-F1647 HydrophobicContact CZ-CZ 4.17Å; L1645-F1647 VanDerWaalsContact C-N 3.35Å; L1645-F1647 HydrophobicContact CB-CD2 3.78Å; L1645-F1647 HydrophobicContact CB-CE2 3.86Å; L1645-F1647 HydrophobicContact CD1-CE2 4.19Å; L1645-F1647 HydrophobicContact CD2-CE2 4.09Å; L1645-F1647 HydrophobicContact CG-CE2 4.27Å; L1645-F1647 PolarHBondContact O-N 2.81Å; F1647-N1649 VanDerWaalsContact C-N 3.31Å; F1647-N1649 PolarHBondContact O-N 3.37Å
1648T35Very low37.2Very low149 Ų14988.8 Ų88.891%0.91451%0.508SS*.  trans-84.87-174.744.40000114.6
1649N33.4Very low37.2Very low100 Ų10088.8 Ų88.854%0.53551%0.514SS..  trans-123.9106.2-176.2-129.4-27.5000111.3F1647 N1651 I1652F1647-N1649 VanDerWaalsContact C-N 3.31Å; F1647-N1649 PolarHBondContact O-N 3.37Å; N1649-N1651 PolarHBondContact O-N 2.9Å; N1649-I1652 HydrophobicContact CB-CD1 4.36Å; N1649-I1652 PolarHBondContact O-N 2.99Å
1650S34.8Very low37.3Very low94 Ų9487 Ų8766%0.65750%0.502SS*.THydrogen-bonded Turntrans-64.2-15-170.151.60000115.3
1651N39.9Very low37.4Very low139 Ų13985.8 Ų85.874%0.74350%0.498SS*.THydrogen-bonded Turntrans-88.3-13.6-173-65.9-3000114N1649N1649-N1651 PolarHBondContact O-N 2.9Å
1652I40.3Very low37.5Very low82 Ų8289.9 Ų89.942%0.42152%0.516SS..THydrogen-bonded Turntrans-88.3-24.6-177.8-58.6175000111.6N1649 G1654 S1655N1649-I1652 HydrophobicContact CB-CD1 4.36Å; N1649-I1652 PolarHBondContact O-N 2.99Å; I1652-G1654 PolarHBondContact O-N 2.87Å; I1652-G1654 VanDerWaalsContact O-N 3.14Å; I1652-S1655 PolarHBondContact O-N 2.78Å; I1652-S1655 PolarHBondContact O-OG 2.87Å
1653I38.4Very low37.5Very low111 Ų11187.6 Ų87.657%0.56951%0.508SS*.THydrogen-bonded Turntrans-67.9-17.2-174.8-62.7166.3000112.4
1654G33.3Very low37.2Very low67 Ų6787.1 Ų87.169%0.69151%0.506SS*.THydrogen-bonded Turntrans-77.4-19.5-179.200000116I1652I1652-G1654 PolarHBondContact O-N 2.87Å; I1652-G1654 VanDerWaalsContact O-N 3.14Å
1655S36.9Very low37.2Very low69 Ų6986 Ų8648%0.48349%0.494SS..THydrogen-bonded Turntrans-109.8-15.4-171.151.40000115.3I1652I1652-S1655 PolarHBondContact O-N 2.78Å; I1652-S1655 PolarHBondContact O-OG 2.87Å
1656C33.9Very low37.4Very low34 Ų3490 Ų9023%0.2352%0.516CS..  trans-95.520.4-174.8-62.70000114.7V1658C1656-V1658 PolarHBondContact O-N 3.5Å
1657I32.2Very low37.5Very low117 Ų11788.8 Ų88.860%0.650%0.499SS*.  trans-8089.1178.7-52.4179.6000109.5
1658V33.7Very low37.8Very low46 Ų4687.3 Ų87.328%0.27950%0.498SS..  trans-79.6128.6164.9174.50000108.9C1656 F1660 L1681C1656-V1658 PolarHBondContact O-N 3.5Å; V1658-F1660 PolarHBondContact O-N 2.63Å; V1658-L1681 HydrophobicContact CB-CD2 4.38Å; V1658-L1681 HydrophobicContact CG2-CD2 3.45Å; V1658-L1681 VanDerWaalsContact CG2-CD2 3.45Å
1659P36.3Very low38.4Very low59 Ų5985.6 Ų85.638%0.38349%0.489SS..  trans-69.2132.9176.130.1-34.9000109.9S1661 N1662P1659-S1661 PolarHBondContact O-N 2.92Å; P1659-N1662 PolarHBondContact O-N 3.25Å; P1659-N1662 VanDerWaalsContact O-N 3.13Å
1660F36.3Very low39.1Very low57 Ų5787 Ų8725%0.2550%0.501CS..G310 helixtrans-61.1-16.8-178-113.3-88000113.4L1637 V1658 N1662 I1663L1637-F1660 HydrophobicContact CD2-CE1 4.17Å; L1637-F1660 HydrophobicContact CD2-CZ 4.45Å; V1658-F1660 PolarHBondContact O-N 2.63Å; F1660-N1662 PolarHBondContact O-N 2.69Å; F1660-N1662 VanDerWaalsContact O-N 3.11Å; F1660-I1663 HydrophobicContact CD1-CB 4.49Å; F1660-I1663 HydrophobicContact CD1-CD1 3.95Å; F1660-I1663 HydrophobicContact CE1-CD1 3.87Å; F1660-I1663 HydrophobicContact CG-CD1 4.49Å; F1660-I1663 HydrophobicContact CZ-CD1 4.34Å; F1660-I1663 PolarHBondContact O-N 3.43Å
1661S41.5Very low39.6Very low63 Ų6385.3 Ų85.344%0.44149%0.49SS..G310 helixtrans-56.3-19.6171.954.10000114.4P1659P1659-S1661 PolarHBondContact O-N 2.92Å
1662N40.3Very low39.6Very low111 Ų11187.9 Ų87.959%0.59450%0.495SS*.G310 helixtrans-83.2-5.9175.7-70.2-15.3000114P1659 F1660 F1664P1659-N1662 PolarHBondContact O-N 3.25Å; P1659-N1662 VanDerWaalsContact O-N 3.13Å; F1660-N1662 PolarHBondContact O-N 2.69Å; F1660-N1662 VanDerWaalsContact O-N 3.11Å; N1662-F1664 PolarHBondContact O-N 2.71Å
1663I38.8Very low39.9Very low55 Ų5591.2 Ų91.228%0.28251%0.509SS..  trans-100.177.2-176.9-52-177000110.7F1660 I1665 I1679F1660-I1663 HydrophobicContact CD1-CB 4.49Å; F1660-I1663 HydrophobicContact CD1-CD1 3.95Å; F1660-I1663 HydrophobicContact CE1-CD1 3.87Å; F1660-I1663 HydrophobicContact CG-CD1 4.49Å; F1660-I1663 HydrophobicContact CZ-CD1 4.34Å; F1660-I1663 PolarHBondContact O-N 3.43Å; I1663-I1665 HydrophobicContact CG2-CD1 4.48Å; I1663-I1665 HydrophobicContact CG2-CG1 4.21Å; I1663-I1679 HydrophobicContact CD1-CD1 4.29Å; I1663-I1679 HydrophobicContact CG1-CD1 4.17Å
1664F35.9Very low40.3Very low156 Ų15690.3 Ų90.368%0.68451%0.512SS*.  trans-75.7120165.2-87.7-94.4000110.9N1662 K1677N1662-F1664 PolarHBondContact O-N 2.71Å; F1664-K1677 PolarHBondContact O-NZ 2.75Å
1665I44.8Very low40.8Very low51 Ų5191.2 Ų91.226%0.26250%0.497SS..  trans-109.9109.6167.5-57.3177.2000107.4I1663 F1667 I1693 L1695I1663-I1665 HydrophobicContact CG2-CD1 4.48Å; I1663-I1665 HydrophobicContact CG2-CG1 4.21Å; I1665-F1667 HydrophobicContact CG2-CD2 4.34Å; I1665-F1667 HydrophobicContact CG2-CE2 4.16Å; I1665-F1667 HydrophobicContact CG2-CZ 4.49Å; I1665-F1667 PolarHBondContact O-N 2.72Å; I1665-I1693 HydrophobicContact CD1-CD1 4.09Å; I1665-L1695 HydrophobicContact CG2-CD1 4.4Å
1666N43.1Very low41.2Very low130 Ų13092.2 Ų92.270%0.69550%0.5SS*.  trans-77.9114.5167.8-85.1-15000108.2P1668N1666-P1668 WeakPolarHBondContact O-CD 3.12Å
1667F42.2Very low41.8Very low89 Ų8994.3 Ų94.339%0.3951%0.505SS..  trans-77.1118.8170-78.8-87.8000109.5I1600 W1605 I1665 L1695I1600-F1667 HydrophobicContact CD1-CE1 4.21Å; W1605-F1667 HydrophobicContact CH2-CD1 4.46Å; W1605-F1667 AromaticContact CZ3-CD1 3.74Å; W1605-F1667 HydrophobicContact CZ3-CD1 3.74Å; W1605-F1667 HydrophobicContact CZ3-CE1 4.12Å; I1665-F1667 HydrophobicContact CG2-CD2 4.34Å; I1665-F1667 HydrophobicContact CG2-CE2 4.16Å; I1665-F1667 HydrophobicContact CG2-CZ 4.49Å; I1665-F1667 PolarHBondContact O-N 2.72Å; F1667-L1695 HydrophobicContact CD1-CD1 4.47Å; F1667-L1695 HydrophobicContact CE1-CD1 3.59Å; F1667-L1695 HydrophobicContact CE1-CD2 3.93Å; F1667-L1695 HydrophobicContact CE1-CG 4.33Å; F1667-L1695 HydrophobicContact CZ-CD1 3.84Å; F1667-L1695 HydrophobicContact CZ-CD2 4Å
1668P43.2Very low42.4Very low55 Ų5595.4 Ų95.436%0.35751%0.508SS..  trans-66.9140.9173.728-33.1000110N1666 T1670N1666-P1668 WeakPolarHBondContact O-CD 3.12Å; P1668-T1670 VanDerWaalsContact C-N 3.31Å; P1668-T1670 PolarHBondContact O-N 3.02Å
1669P47.1Very low42.9Very low112 Ų11295.4 Ų95.473%0.72751%0.506SS*.SBendtrans-75-9.3-168.627.3-35000115.7
1670T47.7Very low43.3Very low129 Ų12998.9 Ų98.979%0.79152%0.517SS*.SBendtrans-144.11.9-158.744.10000118.9P1668P1668-T1670 VanDerWaalsContact C-N 3.31Å; P1668-T1670 PolarHBondContact O-N 3.02Å
1671S45.9Very low43.7Very low60 Ų6097.6 Ų97.642%0.4251%0.513SS..  trans-146.3147.2-177.950.60000115.4E1673S1671-E1673 PolarHBondContact O-N 3.47Å
1672F40.6Very low43.6Very low192 Ų192100 Ų10084%0.84252%0.521SS*.  trans-76.892.6167.5-94.7-95.7000109.4
1673E45.4Very low43.7Very low153 Ų153103.9 Ų103.972%0.71554%0.535SS*.  trans-135.5139.8172.8-70.4-174.8155.300111.6S1671S1671-E1673 PolarHBondContact O-N 3.47Å
1674S46.6Very low44.2Very low91 Ų91105.7 Ų105.764%0.63655%0.553SS**  trans-73.6130.8178.454.70000111.7
1675F44.5Very low44.9Very low87 Ų87101.3 Ų101.338%0.38254%0.539SS..EExtended strand (participates in β ladder)trans-108100.2-171.7-160-82.9000113.1K1677F1675-K1677 HydrophobicContact CD1-CB 4.38Å; F1675-K1677 HydrophobicContact CE1-CB 4.17Å; F1675-K1677 HydrophobicContact CE1-CD 4.34Å; F1675-K1677 HydrophobicContact CE1-CG 4.44Å
1676T44.6Very low44.8Very low89 Ų89102.2 Ų102.255%0.54656%0.561SS.*EExtended strand (participates in β ladder)trans-88.1134.2176.9-52.90000110.8T1692T1676-T1692 HydrophobicContact CG2-CG2 4.27Å
1677K46.2Very low45Very low78 Ų7898.8 Ų98.834%0.33954%0.542SS..  trans-144.4101.7179.7-161.1-175.1-169.3-170.90112.2F1664 F1675 F1691F1664-K1677 PolarHBondContact O-NZ 2.75Å; F1675-K1677 HydrophobicContact CD1-CB 4.38Å; F1675-K1677 HydrophobicContact CE1-CB 4.17Å; F1675-K1677 HydrophobicContact CE1-CD 4.34Å; F1675-K1677 HydrophobicContact CE1-CG 4.44Å; K1677-F1691 CarbonylContact C-O 3.59Å
1678Q45.9Very low45.3Very low140 Ų14099.5 Ų99.565%0.65455%0.545SS*.  trans-59.2140.2170.2-78.1-176-25.600111.5E1690Q1678-E1690 HydrophobicContact CG-CG 3.84Å; Q1678-E1690 WeakPolarHBondContact CG-OE1 3.26Å; Q1678-E1690 PolarHBondContact NE2-OE1 2.74Å
1679I44.4Very low45.6Very low47 Ų4798.1 Ų98.124%0.24153%0.534CS..  trans-138.3107173.2-54.5177.2000107.8I1663 L1681 M1689 F1691I1663-I1679 HydrophobicContact CD1-CD1 4.29Å; I1663-I1679 HydrophobicContact CG1-CD1 4.17Å; I1679-L1681 PolarHBondContact O-N 2.77Å; I1679-M1689 VanDerWaalsContact O-O 3.11Å; I1679-F1691 HydrophobicContact CB-CD2 3.94Å; I1679-F1691 HydrophobicContact CB-CE2 4.27Å; I1679-F1691 HydrophobicContact CG1-CD2 4.42Å
1680E44.4Very low45.9Very low131 Ų13195.5 Ų95.561%0.61251%0.512SS*.  trans-71.3123172.9-75.3-169.5150.300111N1682 K1688E1680-N1682 PolarHBondContact O-N 3.22Å; E1680-K1688 WeakPolarHBondContact OE1-CE 3.48Å; E1680-K1688 IonicContact OE1-NZ 2.69Å; E1680-K1688 PolarHBondContact OE1-NZ 3.1Å
1681L43.9Very low46Very low31 Ų3191.3 Ų91.316%0.16248%0.483CS..  trans-82.7111.8171.1-66-178000110V1658 I1679 M1689 F1691V1658-L1681 HydrophobicContact CB-CD2 4.38Å; V1658-L1681 HydrophobicContact CG2-CD2 3.45Å; V1658-L1681 VanDerWaalsContact CG2-CD2 3.45Å; I1679-L1681 PolarHBondContact O-N 2.77Å; L1681-M1689 HydrophobicContact CD1-CB 3.75Å; L1681-M1689 HydrophobicContact CD1-CE 4.33Å; L1681-M1689 HydrophobicContact CD1-CG 3.71Å; L1681-M1689 HydrophobicContact CD1-SD 3.5Å; L1681-M1689 WeakPolarHBondContact CD1-SD 3.44Å; L1681-M1689 HydrophobicContact CG-CB 4.3Å; L1681-F1691 HydrophobicContact CD1-CE2 4.49Å; L1681-F1691 HydrophobicContact CD1-CZ 4.32Å; L1681-F1691 HydrophobicContact CG-CE2 4.35Å
1682N39.9Very low46.2Very low112 Ų11289.5 Ų89.560%0.59947%0.469SS*.  trans31.8117.3157.1-1471.4000118.4E1680 S1684E1680-N1682 PolarHBondContact O-N 3.22Å; N1682-S1684 PolarHBondContact O-N 3.26Å
1683Q42.6Very low46.7Very low193 Ų19381.6 Ų81.690%0.90244%0.435SS*.THydrogen-bonded Turntrans-62.83.9-171.9-65.5178.3-12.600116.7
1684S48.6Very low47.1Very low93 Ų9377.9 Ų77.965%0.6542%0.418SS*.THydrogen-bonded Turntrans-96.6-8.6-173.459.70000115.9N1682N1682-S1684 PolarHBondContact O-N 3.26Å
1685T51.1Low47.3Very low64 Ų6475.3 Ų75.339%0.39340%0.397SS..SBendtrans-126.2-0.6-174.854.30000116M1687T1685-M1687 PolarHBondContact O-N 3.49Å
1686G43.9Very low48Very low71 Ų7173 Ų7373%0.73239%0.39SS*.  trans69.9-17.7175.500000116.4K1688G1686-K1688 PolarHBondContact O-N 2.82Å
1687M45.3Very low48.2Very low58 Ų5872.8 Ų72.829%0.28639%0.388SS..PPolyproline II helixtrans-77.1117.2178.2-71.8-173.3167.700111.7F1592 T1685F1592-M1687 HydrophobicContact CE2-CE 4.1Å; F1592-M1687 HydrophobicContact CE2-SD 4.09Å; T1685-M1687 PolarHBondContact O-N 3.49Å
1688K49.3Very low48.3Very low103 Ų10372.6 Ų72.645%0.44839%0.391SS..EExtended strand (participates in β ladder)trans-87.1124.5165.2-75.8-165.1-175.5-155.80109.6Q1591 F1592 E1680 G1686Q1591-K1688 WeakPolarHBondContact CA-O 3.26Å; Q1591-K1688 HydrophobicContact CG-CB 3.85Å; F1592-K1688 PolarHBondContact N-O 2.96Å; E1680-K1688 WeakPolarHBondContact OE1-CE 3.48Å; E1680-K1688 IonicContact OE1-NZ 2.69Å; E1680-K1688 PolarHBondContact OE1-NZ 3.1Å; G1686-K1688 PolarHBondContact O-N 2.82Å
1689M49.3Very low48.4Very low26 Ų2669 Ų6913%0.12838%0.377CS..EExtended strand (participates in β ladder)trans-102.8136.6162.4-69.7-171.5-170.900109.5F1592 I1679 L1681 F1691F1592-M1689 HydrophobicContact CB-CG 4.14Å; F1592-M1689 CarbonylContact O-C 3.07Å; F1592-M1689 VanDerWaalsContact O-CA 3.3Å; F1592-M1689 WeakPolarHBondContact O-CA 2.92Å; I1679-M1689 VanDerWaalsContact O-O 3.11Å; L1681-M1689 HydrophobicContact CD1-CB 3.75Å; L1681-M1689 HydrophobicContact CD1-CE 4.33Å; L1681-M1689 HydrophobicContact CD1-CG 3.71Å; L1681-M1689 HydrophobicContact CD1-SD 3.5Å; L1681-M1689 WeakPolarHBondContact CD1-SD 3.44Å; L1681-M1689 HydrophobicContact CG-CB 4.3Å; M1689-F1691 HydrophobicContact CB-CE2 3.7Å; M1689-F1691 HydrophobicContact CB-CZ 3.84Å; M1689-F1691 HydrophobicContact SD-CZ 4.3Å
1690E53.8Low48.7Very low58 Ų5870.2 Ų70.227%0.27139%0.385SS..EExtended strand (participates in β ladder)trans-112.1135.3174.8-141.4172161.700109.7F1592 E1593 V1594 Q1678F1592-E1690 PolarHBondContact O-N 2.81Å; E1593-E1690 HydrophobicContact CG-CB 4.29Å; V1594-E1690 PolarHBondContact N-O 2.71Å; Q1678-E1690 HydrophobicContact CG-CG 3.84Å; Q1678-E1690 WeakPolarHBondContact CG-OE1 3.26Å; Q1678-E1690 PolarHBondContact NE2-OE1 2.74Å
1691F48.8Very low48.9Very low41 Ų4166.6 Ų66.618%0.1837%0.371CS..EExtended strand (participates in β ladder)trans-119.7113.5-173.5-61-92.7000110F1596 K1677 I1679 L1681 M1689F1596-F1691 HydrophobicContact CD2-CD1 4.45Å; F1596-F1691 AromaticContact CE2-CD1 3.77Å; F1596-F1691 HydrophobicContact CE2-CD1 3.77Å; F1596-F1691 HydrophobicContact CE2-CE1 4.29Å; K1677-F1691 CarbonylContact C-O 3.59Å; I1679-F1691 HydrophobicContact CB-CD2 3.94Å; I1679-F1691 HydrophobicContact CB-CE2 4.27Å; I1679-F1691 HydrophobicContact CG1-CD2 4.42Å; L1681-F1691 HydrophobicContact CD1-CE2 4.49Å; L1681-F1691 HydrophobicContact CD1-CZ 4.32Å; L1681-F1691 HydrophobicContact CG-CE2 4.35Å; M1689-F1691 HydrophobicContact CB-CE2 3.7Å; M1689-F1691 HydrophobicContact CB-CZ 3.84Å; M1689-F1691 HydrophobicContact SD-CZ 4.3Å
1692T52.1Low49.2Very low21 Ų2168.9 Ų68.913%0.12938%0.384CS..EExtended strand (participates in β ladder)trans-106.9121.1173.5-57.80000108.8V1594 F1596 T1676V1594-T1692 PolarHBondContact O-N 3.3Å; V1594-T1692 VanDerWaalsContact O-N 3.14Å; F1596-T1692 PolarHBondContact N-O 3.47Å; T1676-T1692 HydrophobicContact CG2-CG2 4.27Å
1693I49.3Very low49.9Very low26 Ų2666 Ų6613%0.13337%0.37CS..EExtended strand (participates in β ladder)trans-112.2101.8-176.3-60.8177000109.8F1596 I1598 I1665 L1695F1596-I1693 WeakPolarHBondContact O-CA 3.19Å; I1598-I1693 HydrophobicContact CD1-CG2 3.48Å; I1598-I1693 VanDerWaalsContact CD1-CG2 3.48Å; I1598-I1693 HydrophobicContact CG1-CG2 4.07Å; I1665-I1693 HydrophobicContact CD1-CD1 4.09Å; I1693-L1695 HydrophobicContact CG2-CD1 4.38Å; I1693-L1695 HydrophobicContact CG2-CG 4.27Å
1694E55.1Low50.4Low75 Ų7556.9 Ų56.935%0.3533%0.332SS..EExtended strand (participates in β ladder)trans-89.3110173.6-165.6-170.6-166.800109.2F1596 K1597 I1598F1596-E1694 PolarHBondContact O-N 2.88Å; K1597-E1694 WeakPolarHBondContact CA-O 2.98Å; K1597-E1694 VanDerWaalsContact CD-OE2 3.29Å; K1597-E1694 WeakPolarHBondContact CD-OE2 3.45Å; K1597-E1694 WeakPolarHBondContact CE-OE2 3.38Å; K1597-E1694 HydrophobicContact CG-CB 4.37Å; K1597-E1694 WeakPolarHBondContact CG-OE2 3.34Å; K1597-E1694 IonicContact NZ-OE1 3.74Å; K1597-E1694 PolarHBondContact NZ-OE1 3.06Å; K1597-E1694 IonicContact NZ-OE2 2.67Å; K1597-E1694 PolarHBondContact NZ-OE2 3.32Å; I1598-E1694 PolarHBondContact N-O 3.33Å
1695L51.1Low50.5Low37 Ų3754.2 Ų54.219%0.19431%0.308CS..EExtended strand (participates in β ladder)trans-91.5130.6177.4-88.8153.2000110.9I1598 I1600 I1665 F1667 I1693I1598-L1695 HydrophobicContact CB-CD2 3.97Å; I1598-L1695 HydrophobicContact CB-CG 4.43Å; I1598-L1695 HydrophobicContact CG2-CD2 3.87Å; I1600-L1695 HydrophobicContact CD1-CD2 3.77Å; I1600-L1695 HydrophobicContact CG1-CD2 4.18Å; I1665-L1695 HydrophobicContact CG2-CD1 4.4Å; F1667-L1695 HydrophobicContact CD1-CD1 4.47Å; F1667-L1695 HydrophobicContact CE1-CD1 3.59Å; F1667-L1695 HydrophobicContact CE1-CD2 3.93Å; F1667-L1695 HydrophobicContact CE1-CG 4.33Å; F1667-L1695 HydrophobicContact CZ-CD1 3.84Å; F1667-L1695 HydrophobicContact CZ-CD2 4Å; I1693-L1695 HydrophobicContact CG2-CD1 4.38Å; I1693-L1695 HydrophobicContact CG2-CG 4.27Å
1696T58.9Low50.5Low39 Ų3953.3 Ų53.324%0.23930%0.3CS..EExtended strand (participates in β ladder)trans-131.1133.7175.740.80000109.8I1598 S1599 I1600I1598-T1696 PolarHBondContact O-N 3.45Å; I1598-T1696 PolarHBondContact O-OG1 2.83Å; S1599-T1696 WeakPolarHBondContact CA-O 3.21Å; S1599-T1696 PolarHBondContact OG-OG1 3.01Å; I1600-T1696 VanDerWaalsContact CG1-O 3.23Å; I1600-T1696 WeakPolarHBondContact CG1-O 3.21Å; I1600-T1696 PolarHBondContact N-O 3.38Å
1697V48.6Very low51.1Low85 Ų8551.7 Ų51.752%0.51526%0.261SS..  trans-102.40174.8-176.60000109.6I1600 W1605I1600-V1697 HydrophobicContact CD1-CG2 3.96Å; I1600-V1697 HydrophobicContact CG1-CG2 4.1Å; I1600-V1697 WeakPolarHBondContact O-CA 3.28Å; I1600-V1697 VanDerWaalsContact O-OXT 3.07Å; W1605-V1697 HydrophobicContact CB-CG1 3.67Å; W1605-V1697 HydrophobicContact CB-CG2 4.31Å; W1605-V1697 HydrophobicContact CD2-CG1 4.41Å; W1605-V1697 HydrophobicContact CD2-CG2 3.79Å; W1605-V1697 HydrophobicContact CE3-CG2 3.59Å; W1605-V1697 HydrophobicContact CG-CG1 3.86Å; W1605-V1697 HydrophobicContact CG-CG2 4.11Å; W1605-V1697 HydrophobicContact CZ3-CG2 4.17Å

Retrieved 1,697 of 1,697 residues in 1070.8 ms (Link to these results)

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