A0A096MHF5_POEFO Loading...

Interleukin-12 receptor subunit beta-2-like

AlphaFold DB , UniProt , Accession A0A096MHF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 873 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.2Very low45Very low224 Ų224134.3 Ų134.3100%1.10369%0.688SS**  092.40-162.4162.371.300106.3
2N44.1Very low45.6Very low138 Ų138133.5 Ų133.574%0.73868%0.684SS**  cis52.484.339.7-72.43.9000111.8
3L42Very low46Very low160 Ų160132.8 Ų132.884%0.83868%0.681SS**  trans-161.7-15.2145.9-137.376000115.3
4L39.8Very low46Very low165 Ų165132.1 Ų132.186%0.86468%0.679SS**SBendtrans-109.934-179.4-83.2168.8000114.8
5L44.7Very low46Very low113 Ų113133.7 Ų133.759%0.59268%0.679SS**SBendtrans-101.82.4173.4-136.3151.4000112.6
6A47.4Very low46.1Very low72 Ų72128.7 Ų128.760%0.59567%0.671SS**SBendtrans-100.3-37.6-168.600000115.4
7S47.9Very low46.1Very low61 Ų61131.2 Ų131.243%0.42768%0.676SS.*Hα-helixtrans-84.2-44.8-167.1500000114.7
8W41.4Very low45.9Very low200 Ų200129.1 Ų129.176%0.75868%0.675SS**Hα-helixtrans-80.8-23.7-172.3-86.352.9000114.7C10 I11 I12W8-C10 VanDerWaalsContact C-N 3.32Å; W8-C10 PolarHBondContact O-N 3.03Å; W8-I11 PolarHBondContact O-N 3.4Å; W8-I12 PolarHBondContact O-N 2.96Å
9R45.1Very low45.8Very low176 Ų176130.5 Ų130.566%0.66468%0.681SS**Hα-helixtrans-69.8-29.1175.3-74.9-173.1171.2-171-5.2112.7L13R9-L13 WeakPolarHBondContact O-CG 3.21Å; R9-L13 PolarHBondContact O-N 3.45Å; R9-L13 VanDerWaalsContact O-N 3.14Å
10C48.1Very low45.5Very low76 Ų76127.8 Ų127.851%0.51467%0.674SS.*Hα-helixtrans-68-32.8173.1-64.90000112.9W8 L13 L14W8-C10 VanDerWaalsContact C-N 3.32Å; W8-C10 PolarHBondContact O-N 3.03Å; C10-L13 PolarHBondContact O-N 3.06Å; C10-L14 WeakPolarHBondContact O-CG 3.49Å; C10-L14 PolarHBondContact O-N 2.84Å
11I51.8Low45.4Very low92 Ų92125.4 Ų125.447%0.47268%0.68SS.*Hα-helixtrans-71.7-37-179.8-62.4173.6000111.2W8 L14 F15W8-I11 PolarHBondContact O-N 3.4Å; I11-L14 WeakPolarHBondContact O-CB 3.37Å; I11-L14 PolarHBondContact O-N 3.49Å; I11-F15 PolarHBondContact O-N 3.48Å
12I52.9Low45Very low125 Ų125119.2 Ų119.264%0.64166%0.658SS**Hα-helixtrans-73.7-32.6174.6-60.6177.3000111.1W8 L14 F15 G16W8-I12 PolarHBondContact O-N 2.96Å; I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 3.18Å; I12-F15 WeakPolarHBondContact O-CB 3.41Å; I12-F15 PolarHBondContact O-N 3.08Å; I12-F15 VanDerWaalsContact O-N 3.14Å; I12-G16 PolarHBondContact O-N 3.12Å
13L50.8Low44.6Very low124 Ų124118.4 Ų118.465%0.64966%0.66SS**Hα-helixtrans-67.5-24.7170.9-75.5168.1000113.4R9 C10 F15 G16R9-L13 WeakPolarHBondContact O-CG 3.21Å; R9-L13 PolarHBondContact O-N 3.45Å; R9-L13 VanDerWaalsContact O-N 3.14Å; C10-L13 PolarHBondContact O-N 3.06Å; L13-F15 VanDerWaalsContact C-N 3.35Å; L13-G16 WeakPolarHBondContact O-CA 3.41Å; L13-G16 PolarHBondContact O-N 3.43Å
14L46.4Very low44.2Very low124 Ų124119 Ų11965%0.64966%0.663SS**Hα-helixtrans-69.7-29.9169.5-77164.6000112.6C10 I11 I12 G16 F17C10-L14 WeakPolarHBondContact O-CG 3.49Å; C10-L14 PolarHBondContact O-N 2.84Å; I11-L14 WeakPolarHBondContact O-CB 3.37Å; I11-L14 PolarHBondContact O-N 3.49Å; I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 3.18Å; L14-G16 PolarHBondContact O-N 3.48Å; L14-F17 PolarHBondContact O-N 2.89Å
15F45Very low44Very low155 Ų155118.5 Ų118.568%0.6866%0.66SS**Hα-helixtrans-67.9-20.5166.7-86.3-85.4000112.9I11 I12 L13 F17 S18I11-F15 PolarHBondContact O-N 3.48Å; I12-F15 WeakPolarHBondContact O-CB 3.41Å; I12-F15 PolarHBondContact O-N 3.08Å; I12-F15 VanDerWaalsContact O-N 3.14Å; L13-F15 VanDerWaalsContact C-N 3.35Å; F15-F17 PolarHBondContact O-N 2.78Å; F15-F17 VanDerWaalsContact O-N 3.13Å; F15-S18 PolarHBondContact O-N 3.09Å
16G48.3Very low43.6Very low54 Ų54118.7 Ų118.756%0.55767%0.668SS**THydrogen-bonded Turntrans-63.4-8169.600000115.2I12 L13 L14I12-G16 PolarHBondContact O-N 3.12Å; L13-G16 WeakPolarHBondContact O-CA 3.41Å; L13-G16 PolarHBondContact O-N 3.43Å; L14-G16 PolarHBondContact O-N 3.48Å
17F44.9Very low42.8Very low172 Ų172120.1 Ų120.175%0.75468%0.68SS**THydrogen-bonded Turntrans-109.8-5.3176.3-82.5-85.9000114.9L14 F15L14-F17 PolarHBondContact O-N 2.89Å; F15-F17 PolarHBondContact O-N 2.78Å; F15-F17 VanDerWaalsContact O-N 3.13Å
18S42.6Very low42.1Very low93 Ų93120.5 Ų120.565%0.6569%0.694SS**THydrogen-bonded Turntrans-95.9-13.1174.7-168.40000113.9F15F15-S18 PolarHBondContact O-N 3.09Å
19I44.3Very low42Very low156 Ų156116.1 Ų116.180%0.869%0.693SS**SBendtrans-99.255.2160.6-48.5-178.5000107.1G21I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.11Å
20S40.4Very low41.8Very low76 Ų76113.9 Ų113.953%0.53170%0.698SS.*  trans-66.394.7172.254.50000108.6C22S20-C22 PolarHBondContact O-N 3.39Å
21G42.3Very low41.5Very low78 Ų78117.1 Ų117.180%0.80471%0.71SS**  trans-65.664.9159.500000110.1I19I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.11Å
22C33.7Very low41.5Very low94 Ų94117.4 Ų117.464%0.63572%0.716SS**PPolyproline II helixtrans-53139.7161.8-67.60000107.4S20 L24S20-C22 PolarHBondContact O-N 3.39Å; C22-L24 PolarHBondContact O-N 2.9Å
23P37Very low41.9Very low121 Ų121119.5 Ų119.579%0.78673%0.727SS**PPolyproline II helixtrans-54.8136.317225.9-33.9000107.9L25P23-L25 PolarHBondContact O-N 3.31Å
24L34.2Very low42.7Very low172 Ų172115.5 Ų115.590%0.90171%0.709SS**PPolyproline II helixtrans-53.6118.6172.7-71.2168.7000107.3C22C22-L24 PolarHBondContact O-N 2.9Å
25L33.8Very low44.1Very low154 Ų154111.2 Ų111.281%0.80670%0.695SS**PPolyproline II helixtrans-49138.8158.4-72.2164.2000106.6P23 A27P23-L25 PolarHBondContact O-N 3.31Å; L25-A27 PolarHBondContact O-N 3.42Å
26P36Very low46.1Very low117 Ų117103.9 Ų103.976%0.7666%0.663SS**PPolyproline II helixtrans-52134.3170.425.2-33.6000107.2G28P26-G28 PolarHBondContact O-N 3.12Å
27A32.3Very low48Very low102 Ų102106.5 Ų106.584%0.84366%0.657SS**  trans-69.377-176.600000109.5L25 C29L25-A27 PolarHBondContact O-N 3.42Å; A27-C29 PolarHBondContact O-N 3.46Å; A27-C29 VanDerWaalsContact O-N 3.13Å
28G32.7Very low50.2Low69 Ų6999.1 Ų99.171%0.71163%0.626SS**  trans-58.8116.1178.100000108.2P26P26-G28 PolarHBondContact O-N 3.12Å
29C39.2Very low52.5Low109 Ų10997.2 Ų97.274%0.73661%0.61SS**  trans22.2103.6175.9-60.90000115.1A27 D31A27-C29 PolarHBondContact O-N 3.46Å; A27-C29 VanDerWaalsContact O-N 3.13Å; C29-D31 VanDerWaalsContact C-N 3.33Å; C29-D31 PolarHBondContact O-N 3.36Å
30V40Very low54.6Low129 Ų12990.5 Ų90.578%0.78258%0.578SS**  trans-56.3109.4145.9176.10000105.7V32V30-V32 PolarHBondContact O-N 2.7Å
31D42.5Very low56.8Low143 Ų14392.1 Ų92.177%0.76558%0.577SS**  trans-6487.7169.6-90.6-25.5000107.8C29 I33C29-D31 VanDerWaalsContact C-N 3.33Å; C29-D31 PolarHBondContact O-N 3.36Å; D31-I33 PolarHBondContact O-N 2.85Å
32V52.4Low58.2Low98 Ų9893.6 Ų93.659%0.59457%0.573SS**  trans-58.8108.6161.61780000105.1V30 S34V30-V32 PolarHBondContact O-N 2.7Å; V32-S34 PolarHBondContact O-N 2.87Å
33I60.9Low60.2Low169 Ų16991.1 Ų91.187%0.86756%0.559SS**  trans-61.792.5175.2-58.3176.3000106.5D31D31-I33 PolarHBondContact O-N 2.85Å
34S67.8Low61.9Low41 Ų4188.6 Ų88.629%0.28754%0.541SS..  trans-74.2136.3-16366.90000109.7V32 G36 F59 I116V32-S34 PolarHBondContact O-N 2.87Å; S34-G36 WeakPolarHBondContact CB-O 3.39Å; S34-G36 PolarHBondContact O-N 3.35Å; S34-G36 PolarHBondContact OG-O 3.45Å; S34-F59 WeakPolarHBondContact O-CD2 3.28Å; S34-F59 WeakPolarHBondContact O-CE2 3.38Å; S34-I116 CarbonylContact C-O 3.57Å; S34-I116 WeakPolarHBondContact CA-O 3.39Å; S34-I116 VanDerWaalsContact CB-O 3.31Å; S34-I116 WeakPolarHBondContact CB-O 3.39Å
35G76.3Confident64.2Low34 Ų3483 Ų8335%0.35151%0.514SS..SBendtrans-65.6-3.6173.400000112.9T58 F59 I116G35-T58 CarbonylContact O-C 3.54Å; G35-T58 WeakPolarHBondContact O-CA 3.31Å; G35-T58 PolarHBondContact O-OG1 2.88Å; G35-T58 VanDerWaalsContact O-OG1 3.09Å; G35-F59 PolarHBondContact O-N 2.85Å; G35-I116 PolarHBondContact N-O 3.2Å
36G86.7Confident66.6Low0 Ų076.1 Ų76.10%048%0.478CS..EExtended strand (participates in β ladder)trans167.2-147.7-17300000111.5S34 H57 F59S34-G36 WeakPolarHBondContact CB-O 3.39Å; S34-G36 PolarHBondContact O-N 3.35Å; S34-G36 PolarHBondContact OG-O 3.45Å; G36-H57 VanDerWaalsContact CA-O 3.25Å; G36-H57 WeakPolarHBondContact CA-O 3.45Å; G36-F59 VanDerWaalsContact CA-CE2 3.41Å
37Y88.6Confident69Low110 Ų11074 Ų7443%0.43146%0.46SS..EExtended strand (participates in β ladder)trans-151.3161-178.762.7-82.2000111.2T39 H57 F59Y37-T39 HydrophobicContact CD2-CG2 3.79Å; Y37-T39 HydrophobicContact CE2-CG2 3.82Å; Y37-H57 HydrophobicContact CD1-CB 3.93Å; Y37-H57 HydrophobicContact CD2-CB 4.35Å; Y37-H57 AromaticContact CD2-CD2 3.55Å; Y37-H57 HydrophobicContact CE1-CB 3.64Å; Y37-H57 HydrophobicContact CE2-CB 4.09Å; Y37-H57 AromaticContact CE2-CD2 3.17Å; Y37-H57 WeakPolarHBondContact CE2-CD2 3.49Å; Y37-H57 AromaticContact CE2-CG 3.64Å; Y37-H57 AromaticContact CE2-NE2 3.71Å; Y37-H57 HydrophobicContact CG-CB 4.27Å; Y37-H57 AromaticContact CZ-CD2 3.62Å; Y37-H57 AromaticContact CZ-CG 3.56Å; Y37-H57 PolarHBondContact N-O 3.12Å; Y37-H57 PolarHBondContact O-CD2 3.41Å; Y37-H57 PolarHBondContact O-N 2.69Å; Y37-F59 AromaticContact CD1-CE1 3.79Å; Y37-F59 HydrophobicContact CD1-CE1 3.79Å; Y37-F59 HydrophobicContact CD1-CZ 4.08Å; Y37-F59 HydrophobicContact CE1-CE1 4.11Å
38V90.8Very high71.6Confident16 Ų1670.3 Ų70.310%0.09743%0.426CS..EExtended strand (participates in β ladder)trans-119136.4179.31770000109.1V54 Y55 C56 C103 C117 L119V38-V54 HydrophobicContact CG1-CG1 3.43Å; V38-V54 VanDerWaalsContact CG1-CG1 3.43Å; V38-Y55 WeakPolarHBondContact CA-O 3.41Å; V38-C56 HydrophobicContact CG2-CB 4.47Å; V38-C103 HydrophobicContact CG2-CB 3.69Å; V38-C117 HydrophobicContact CG2-CB 4.21Å; V38-L119 HydrophobicContact CB-CB 4.14Å; V38-L119 HydrophobicContact CG1-CB 3.91Å; V38-L119 HydrophobicContact CG1-CD2 3.96Å
39T90.5Very high74.1Confident53 Ų5368 Ų6833%0.32540%0.402SS..EExtended strand (participates in β ladder)trans-127.9159.4173.364.60000110.6Y37 V54 Y55 H57Y37-T39 HydrophobicContact CD2-CG2 3.79Å; Y37-T39 HydrophobicContact CE2-CG2 3.82Å; T39-V54 CarbonylContact O-C 3.59Å; T39-V54 WeakPolarHBondContact O-CA 3.27Å; T39-Y55 PolarHBondContact N-O 3.35Å; T39-Y55 PolarHBondContact O-N 2.77Å; T39-H57 PolarHBondContact OG1-NE2 3.2Å
40A88.9Confident76.3Confident16 Ų1664.4 Ų64.413%0.13238%0.378CS..EExtended strand (participates in β ladder)trans-140.5123.4-174.600000111L52 T53 V54 L119 L121A40-L52 HydrophobicContact CB-CD1 3.76Å; A40-L52 HydrophobicContact CB-CD2 4.25Å; A40-L52 HydrophobicContact CB-CG 4.41Å; A40-T53 WeakPolarHBondContact CA-O 3.46Å; A40-V54 HydrophobicContact CB-CG2 4.35Å; A40-L119 HydrophobicContact CB-CD2 3.82Å; A40-L121 HydrophobicContact CB-CD2 4.05Å
41E85.9Confident78.7Confident110 Ų11063.6 Ų63.651%0.51437%0.369SS..EExtended strand (participates in β ladder)trans-109.7130.2177.8-64.7-178155.900110.6L52 T53 Y55E41-L52 VanDerWaalsContact C-CD1 3.49Å; E41-L52 WeakPolarHBondContact O-CD1 3.32Å; E41-T53 PolarHBondContact N-O 3.35Å; E41-T53 PolarHBondContact O-N 3.46Å; E41-Y55 HydrophobicContact CB-CE2 4.23Å; E41-Y55 HydrophobicContact CG-CD2 4.38Å; E41-Y55 HydrophobicContact CG-CE2 3.87Å; E41-Y55 WeakPolarHBondContact OE2-CE2 3.37Å; E41-Y55 PolarHBondContact OE2-OH 3.04Å
42P71.7Confident80.9Confident108 Ų10857 Ų5770%0.70133%0.334SS*.SBendcis-92.1-1817.134.3-36.4000116.5L46P42-L46 HydrophobicContact CG-CD2 4.02Å
43A75.1Confident82.7Confident42 Ų4253.7 Ų53.735%0.34731%0.314SS..  trans-159.8166.6-177.900000112L46A43-L46 HydrophobicContact CB-CD2 4.06Å; A43-L46 WeakPolarHBondContact O-CD1 3.37Å; A43-L46 WeakPolarHBondContact O-CG 3.49Å
44T73.8Confident84.2Confident68 Ų6845.6 Ų45.642%0.41727%0.273SS..SBendtrans-84.9-24.917249.10000113.7L119 H122T44-L119 HydrophobicContact CG2-CD1 4.22Å; T44-L119 HydrophobicContact CG2-CD2 4.5Å; T44-H122 PolarHBondContact O-N 2.88Å
45V81.8Confident85.3Confident54 Ų5446.2 Ų46.233%0.32727%0.269SS..EExtended strand (participates in β ladder)trans-104.5116.6172.9-175.40000108H122 V156 L203 F204V45-H122 CarbonylContact C-O 3.44Å; V45-H122 VanDerWaalsContact CA-O 3.31Å; V45-H122 WeakPolarHBondContact CA-O 3.39Å; V45-H122 HydrophobicContact CG2-CB 4.38Å; V45-V156 HydrophobicContact CG1-CG1 4.33Å; V45-L203 HydrophobicContact CB-CD2 4.33Å; V45-L203 HydrophobicContact CG1-CD2 3.81Å; V45-F204 HydrophobicContact CG1-CE2 4.48Å; V45-F204 HydrophobicContact CG1-CZ 3.91Å
46L85.4Confident86Confident11 Ų1144.6 Ų44.66%0.05825%0.253CS..EExtended strand (participates in β ladder)trans-134.4156.4-167.8-66.4171000112.8P42 A43 L52 H122 L123 G124 F204P42-L46 HydrophobicContact CG-CD2 4.02Å; A43-L46 HydrophobicContact CB-CD2 4.06Å; A43-L46 WeakPolarHBondContact O-CD1 3.37Å; A43-L46 WeakPolarHBondContact O-CG 3.49Å; L46-L52 HydrophobicContact CD1-CB 4.17Å; L46-L52 HydrophobicContact CD1-CD1 3.84Å; L46-L52 HydrophobicContact CD1-CD2 3.9Å; L46-L52 HydrophobicContact CD1-CG 4.18Å; L46-H122 PolarHBondContact N-O 3.07Å; L46-L123 HydrophobicContact CB-CD2 4.32Å; L46-L123 HydrophobicContact CB-CG 4.23Å; L46-L123 CarbonylContact O-C 3.47Å; L46-L123 VanDerWaalsContact O-CA 3.24Å; L46-L123 WeakPolarHBondContact O-CA 3.46Å; L46-G124 PolarHBondContact O-N 2.79Å; L46-F204 VanDerWaalsContact C-CE1 3.5Å; L46-F204 WeakPolarHBondContact O-CZ 3.35Å
47L85.8Confident86.2Confident73 Ų7345.9 Ų45.938%0.38226%0.258SS..EExtended strand (participates in β ladder)trans-71.5136.1169.5-179.366.3000109.7G49 S50 F204L47-G49 PolarHBondContact O-N 3.22Å; L47-S50 WeakPolarHBondContact O-CB 3.38Å; L47-S50 PolarHBondContact O-N 2.9Å; L47-S50 VanDerWaalsContact O-N 3.09Å; L47-S50 PolarHBondContact O-OG 3.33Å; L47-F204 HydrophobicContact CB-CD1 4.18Å; L47-F204 HydrophobicContact CB-CE1 4.24Å; L47-F204 HydrophobicContact CD1-CB 4.4Å; L47-F204 HydrophobicContact CD1-CG 4.3Å
48M86.3Confident86.2Confident23 Ų2341.2 Ų41.211%0.11324%0.241CC..THydrogen-bonded Turntrans-55.1139.9172.7-75.4-171.9172.800111.8S50 W95 P97 L123 G124 L125 Y155M48-S50 VanDerWaalsContact C-N 3.3Å; M48-W95 HydrophobicContact CB-CE3 4.04Å; M48-W95 HydrophobicContact CB-CZ3 4.29Å; M48-P97 HydrophobicContact CE-CB 3.51Å; M48-P97 HydrophobicContact CE-CG 4.05Å; M48-L123 WeakPolarHBondContact CE-O 3.24Å; M48-L123 HydrophobicContact CG-CB 3.98Å; M48-G124 PolarHBondContact N-O 2.97Å; M48-L125 HydrophobicContact CB-CD2 3.81Å; M48-L125 HydrophobicContact CB-CG 4.35Å; M48-L125 HydrophobicContact CG-CD2 4.23Å; M48-L125 HydrophobicContact CG-CG 4.22Å; M48-L125 HydrophobicContact SD-CD1 3.89Å; M48-L125 HydrophobicContact SD-CD2 4.13Å; M48-L125 HydrophobicContact SD-CG 3.8Å; M48-Y155 HydrophobicContact CE-CD2 3.4Å; M48-Y155 VanDerWaalsContact CE-CD2 3.4Å; M48-Y155 HydrophobicContact CE-CE2 3.66Å; M48-Y155 HydrophobicContact CE-CG 4.17Å; M48-Y155 HydrophobicContact SD-CD2 4.46Å
49G85.6Confident85.9Confident21 Ų2147 Ų4722%0.21627%0.265CS..THydrogen-bonded Turntrans82.7-0-174.100000114.6L47 R93 V94L47-G49 PolarHBondContact O-N 3.22Å; G49-R93 WeakPolarHBondContact O-CA 3.1Å; G49-V94 WeakPolarHBondContact CA-O 3.11Å; G49-V94 PolarHBondContact N-O 2.86Å
50S86.3Confident85.4Confident33 Ų3351.5 Ų51.523%0.23128%0.283CS..  trans-63.1154.2174.9-64.40000113L47 M48 R93 V94L47-S50 WeakPolarHBondContact O-CB 3.38Å; L47-S50 PolarHBondContact O-N 2.9Å; L47-S50 VanDerWaalsContact O-N 3.09Å; L47-S50 PolarHBondContact O-OG 3.33Å; M48-S50 VanDerWaalsContact C-N 3.3Å; S50-R93 VanDerWaalsContact O-CA 3.26Å; S50-R93 WeakPolarHBondContact O-CA 3.16Å; S50-R93 PolarHBondContact O-N 2.83Å; S50-V94 PolarHBondContact O-N 3.29Å
51N89.1Confident84.9Confident112 Ų11254.3 Ų54.360%0.59930%0.301SS*.  trans-93.9135.2165.4-62.1-28.2000109.2L91 P92 R93N51-L91 WeakPolarHBondContact CA-O 3.32Å; N51-P92 VanDerWaalsContact OD1-CA 3.28Å; N51-P92 WeakPolarHBondContact OD1-CA 3.45Å; N51-R93 PolarHBondContact OD1-N 3.47Å
52L89.1Confident84.2Confident4 Ų451.6 Ų51.62%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-130.3144.2-175.2173.865.9000110.4A40 E41 L46 V54 L91 L121A40-L52 HydrophobicContact CB-CD1 3.76Å; A40-L52 HydrophobicContact CB-CD2 4.25Å; A40-L52 HydrophobicContact CB-CG 4.41Å; E41-L52 VanDerWaalsContact C-CD1 3.49Å; E41-L52 WeakPolarHBondContact O-CD1 3.32Å; L46-L52 HydrophobicContact CD1-CB 4.17Å; L46-L52 HydrophobicContact CD1-CD1 3.84Å; L46-L52 HydrophobicContact CD1-CD2 3.9Å; L46-L52 HydrophobicContact CD1-CG 4.18Å; L52-V54 HydrophobicContact CD2-CG2 3.82Å; L52-V54 HydrophobicContact CG-CG2 4.03Å; L52-L91 HydrophobicContact CB-CB 4.3Å; L52-L91 HydrophobicContact CD2-CD1 4.21Å; L52-L91 PolarHBondContact N-O 3.37Å; L52-L91 PolarHBondContact O-N 3.47Å; L52-L121 HydrophobicContact CD2-CD1 3.3Å; L52-L121 HydrophobicContact CD2-CD2 3.78Å; L52-L121 HydrophobicContact CD2-CG 4.18Å
53T91Very high84.1Confident29 Ų2955.7 Ų55.718%0.17830%0.295CS..EExtended strand (participates in β ladder)trans-109122.4165.6-52.10000109.4A40 E41 Y55 A88 F89 Y90A40-T53 WeakPolarHBondContact CA-O 3.46Å; E41-T53 PolarHBondContact N-O 3.35Å; E41-T53 PolarHBondContact O-N 3.46Å; T53-Y55 HydrophobicContact CG2-CD2 4.24Å; T53-Y55 HydrophobicContact CG2-CE1 4.33Å; T53-Y55 HydrophobicContact CG2-CE2 3.66Å; T53-A88 HydrophobicContact CG2-CB 4.14Å; T53-F89 WeakPolarHBondContact CA-O 3.23Å; T53-Y90 HydrophobicContact CG2-CD1 3.89Å; T53-Y90 HydrophobicContact CG2-CE1 3.75Å
54V91.9Very high83.9Confident0 Ų057 Ų570%031%0.312CS..EExtended strand (participates in β ladder)trans-102.9126.6176176.60000109.1V38 T39 A40 L52 L69 A88 F89 L91 V101V38-V54 HydrophobicContact CG1-CG1 3.43Å; V38-V54 VanDerWaalsContact CG1-CG1 3.43Å; T39-V54 CarbonylContact O-C 3.59Å; T39-V54 WeakPolarHBondContact O-CA 3.27Å; A40-V54 HydrophobicContact CB-CG2 4.35Å; L52-V54 HydrophobicContact CD2-CG2 3.82Å; L52-V54 HydrophobicContact CG-CG2 4.03Å; V54-L69 HydrophobicContact CB-CD2 3.77Å; V54-L69 HydrophobicContact CG1-CD1 4.11Å; V54-L69 HydrophobicContact CG1-CD2 3.72Å; V54-L69 HydrophobicContact CG2-CD2 4.33Å; V54-A88 CarbonylContact O-C 3.59Å; V54-A88 WeakPolarHBondContact O-CA 3.37Å; V54-F89 PolarHBondContact N-O 2.94Å; V54-F89 PolarHBondContact O-N 3.21Å; V54-L91 HydrophobicContact CG2-CD1 3.63Å; V54-L91 HydrophobicContact CG2-CG 4.39Å; V54-V101 HydrophobicContact CG1-CG1 4.08Å
55Y91.6Very high84.1Confident54 Ų5453.9 Ų53.921%0.21229%0.293CS..EExtended strand (participates in β ladder)trans-104.7119.9175.4-61.1-96.5000108.9V38 T39 E41 T53 T86 A88V38-Y55 WeakPolarHBondContact CA-O 3.41Å; T39-Y55 PolarHBondContact N-O 3.35Å; T39-Y55 PolarHBondContact O-N 2.77Å; E41-Y55 HydrophobicContact CB-CE2 4.23Å; E41-Y55 HydrophobicContact CG-CD2 4.38Å; E41-Y55 HydrophobicContact CG-CE2 3.87Å; E41-Y55 WeakPolarHBondContact OE2-CE2 3.37Å; E41-Y55 PolarHBondContact OE2-OH 3.04Å; T53-Y55 HydrophobicContact CG2-CD2 4.24Å; T53-Y55 HydrophobicContact CG2-CE1 4.33Å; T53-Y55 HydrophobicContact CG2-CE2 3.66Å; Y55-T86 HydrophobicContact CD1-CG2 4.33Å; Y55-A88 HydrophobicContact CD1-CB 3.74Å; Y55-A88 HydrophobicContact CE1-CB 3.71Å
56C91.2Very high84.2Confident0 Ų056.6 Ų56.60%030%0.301CS..EExtended strand (participates in β ladder)trans-99.2126.9170.2177.60000109.7V38 M67 T86 T87 F89 C103V38-C56 HydrophobicContact CG2-CB 4.47Å; C56-M67 HydrophobicContact CB-SD 4.36Å; C56-T86 VanDerWaalsContact O-CA 3.31Å; C56-T86 WeakPolarHBondContact O-CA 3.27Å; C56-T87 PolarHBondContact N-O 3.28Å; C56-T87 PolarHBondContact O-N 2.9Å; C56-F89 HydrophobicContact CB-CE2 4.17Å; C56-C103 HydrophobicContact CB-CB 3.72Å; C56-C103 WeakPolarHBondContact CB-SG 3.29Å; C56-C103 WeakPolarHBondContact SG-CB 3.41Å; C56-C103 CovalentContact SG-SG 2.01Å; C56-C103 PolarHBondContact SG-SG 2.91Å
57H89.9Confident84.4Confident26 Ų2656.3 Ų56.312%0.1230%0.299CS..EExtended strand (participates in β ladder)trans-113.3142.8179.4-49.8-86.5000109.5G36 Y37 T39 T85 T86 I116G36-H57 VanDerWaalsContact CA-O 3.25Å; G36-H57 WeakPolarHBondContact CA-O 3.45Å; Y37-H57 HydrophobicContact CD1-CB 3.93Å; Y37-H57 HydrophobicContact CD2-CB 4.35Å; Y37-H57 AromaticContact CD2-CD2 3.55Å; Y37-H57 HydrophobicContact CE1-CB 3.64Å; Y37-H57 HydrophobicContact CE2-CB 4.09Å; Y37-H57 AromaticContact CE2-CD2 3.17Å; Y37-H57 WeakPolarHBondContact CE2-CD2 3.49Å; Y37-H57 AromaticContact CE2-CG 3.64Å; Y37-H57 AromaticContact CE2-NE2 3.71Å; Y37-H57 HydrophobicContact CG-CB 4.27Å; Y37-H57 AromaticContact CZ-CD2 3.62Å; Y37-H57 AromaticContact CZ-CG 3.56Å; Y37-H57 PolarHBondContact N-O 3.12Å; Y37-H57 PolarHBondContact O-CD2 3.41Å; Y37-H57 PolarHBondContact O-N 2.69Å; T39-H57 PolarHBondContact OG1-NE2 3.2Å; H57-T85 CarbonylContact C-O 3.52Å; H57-T85 VanDerWaalsContact CA-O 3.25Å; H57-T85 WeakPolarHBondContact CA-O 3.43Å; H57-T86 WeakPolarHBondContact ND1-CG2 3.49Å; H57-T86 PolarHBondContact ND1-OG1 3.44Å; H57-I116 WeakPolarHBondContact O-CG2 3.46Å
58T88Confident84.5Confident13 Ų1356.3 Ų56.38%0.0830%0.295CS..EExtended strand (participates in β ladder)trans-115.5147167.8176.20000110.2G35 Q60 M67 T85G35-T58 CarbonylContact O-C 3.54Å; G35-T58 WeakPolarHBondContact O-CA 3.31Å; G35-T58 PolarHBondContact O-OG1 2.88Å; G35-T58 VanDerWaalsContact O-OG1 3.09Å; T58-Q60 VanDerWaalsContact C-N 3.28Å; T58-Q60 WeakPolarHBondContact CG2-O 3.23Å; T58-Q60 PolarHBondContact OG1-N 3.22Å; T58-Q60 PolarHBondContact OG1-O 2.91Å; T58-M67 HydrophobicContact CG2-CE 3.43Å; T58-M67 VanDerWaalsContact CG2-CE 3.43Å; T58-T85 HydrophobicContact CG2-CG2 4.29Å; T58-T85 PolarHBondContact N-O 2.8Å; T58-T85 WeakPolarHBondContact O-CB 3.22Å
59F84.5Confident84.8Confident136 Ų13655.2 Ų55.260%0.59629%0.289SS*.SBendtrans-74-17172.9-60-52.3000113S34 G35 G36 Y37S34-F59 WeakPolarHBondContact O-CD2 3.28Å; S34-F59 WeakPolarHBondContact O-CE2 3.38Å; G35-F59 PolarHBondContact O-N 2.85Å; G36-F59 VanDerWaalsContact CA-CE2 3.41Å; Y37-F59 AromaticContact CD1-CE1 3.79Å; Y37-F59 HydrophobicContact CD1-CE1 3.79Å; Y37-F59 HydrophobicContact CD1-CZ 4.08Å; Y37-F59 HydrophobicContact CE1-CE1 4.11Å
60Q80.7Confident85.1Confident148 Ų14855 Ų5569%0.69228%0.283SS*.SBendtrans-131.4131.6-177.2-60.1-167.417.600113.7T58 E62T58-Q60 VanDerWaalsContact C-N 3.28Å; T58-Q60 WeakPolarHBondContact CG2-O 3.23Å; T58-Q60 PolarHBondContact OG1-N 3.22Å; T58-Q60 PolarHBondContact OG1-O 2.91Å; Q60-E62 PolarHBondContact O-N 3.48Å
61C77.8Confident85.2Confident75 Ų7555 Ų5551%0.50728%0.28SS..  trans-91.290.8-179.81690000111.3C84 T85C61-C84 HydrophobicContact CB-CB 3.93Å; C61-C84 WeakPolarHBondContact CB-SG 3.3Å; C61-C84 WeakPolarHBondContact SG-CB 3.47Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 2.95Å; C61-T85 HydrophobicContact CB-CG2 3.98Å
62E72.6Confident85.1Confident53 Ų5351.4 Ų51.425%0.24826%0.261CS..  trans-78.6137.8172.2-69.6-157.7132.700112.8Q60 G64 S65 S107Q60-E62 PolarHBondContact O-N 3.48Å; E62-G64 PolarHBondContact O-N 3.43Å; E62-S65 PolarHBondContact O-N 3.23Å; E62-S65 PolarHBondContact O-OG 2.9Å; E62-S107 PolarHBondContact OE1-OG 2.88Å; E62-S107 WeakPolarHBondContact OE2-CB 3.43Å; E62-S107 PolarHBondContact OE2-OG 3.38Å
63K68.8Low85Confident194 Ų19459.3 Ų59.384%0.84330%0.295SS*.THydrogen-bonded Turntrans-73.3115.3174.4-72.8-176.7179.4176.80110.7S108K63-S108 PolarHBondContact O-OG 2.83Å
64G70.1Confident84.8Confident69 Ų6965 Ų6571%0.71132%0.32SS*.THydrogen-bonded Turntrans94.5-1.8177.800000114.9E62E62-G64 PolarHBondContact O-N 3.43Å
65S77.9Confident84.6Confident4 Ų468.6 Ų68.63%0.02834%0.342CS..  trans-69.8151176.270.80000112.4E62 R81 K106E62-S65 PolarHBondContact O-N 3.23Å; E62-S65 PolarHBondContact O-OG 2.9Å; S65-R81 PolarHBondContact O-NH1 3Å; S65-R81 PolarHBondContact O-NH2 3.29Å; S65-K106 VanDerWaalsContact CA-O 3.26Å; S65-K106 WeakPolarHBondContact CA-O 3.29Å; S65-K106 WeakPolarHBondContact CB-O 3.45Å
66K84.9Confident84.5Confident110 Ų11067 Ų6748%0.47834%0.337SS..EExtended strand (participates in β ladder)trans-129.7134.2174.3-177.2171.4175.6-1790110.6Y68 K106K66-Y68 HydrophobicContact CB-CE2 4.04Å; K66-Y68 HydrophobicContact CD-CE2 4.19Å; K66-Y68 HydrophobicContact CG-CD2 4.47Å; K66-Y68 HydrophobicContact CG-CE2 3.86Å; K66-K106 PolarHBondContact N-O 2.72Å; K66-K106 VanDerWaalsContact N-O 3.09Å; K66-K106 PolarHBondContact O-N 2.72Å
67M88.8Confident84.3Confident5 Ų574.1 Ų74.13%0.02538%0.376CS..EExtended strand (participates in β ladder)trans-86.4150172.6-69.1169.6165.300111.3C56 T58 T85 T87 F89 K104 I116C56-M67 HydrophobicContact CB-SD 4.36Å; T58-M67 HydrophobicContact CG2-CE 3.43Å; T58-M67 VanDerWaalsContact CG2-CE 3.43Å; M67-T85 WeakPolarHBondContact CE-O 3.49Å; M67-T87 HydrophobicContact CB-CG2 4.47Å; M67-T87 VanDerWaalsContact SD-CB 3.55Å; M67-T87 PolarHBondContact SD-OG1 3.45Å; M67-F89 HydrophobicContact CB-CE2 4.4Å; M67-F89 HydrophobicContact CB-CZ 4.1Å; M67-K104 CarbonylContact C-O 3.48Å; M67-K104 WeakPolarHBondContact CA-O 3.35Å; M67-I116 HydrophobicContact CE-CD1 3.84Å; M67-I116 HydrophobicContact CG-CD1 4.2Å
68Y89.4Confident84.2Confident73 Ų7378.1 Ų78.129%0.28640%0.398SS..EExtended strand (participates in β ladder)trans-135.5152.8174.1-62.5-99.6000108K66 T75 C103 K104 K106 L113K66-Y68 HydrophobicContact CB-CE2 4.04Å; K66-Y68 HydrophobicContact CD-CE2 4.19Å; K66-Y68 HydrophobicContact CG-CD2 4.47Å; K66-Y68 HydrophobicContact CG-CE2 3.86Å; Y68-T75 HydrophobicContact CD1-CG2 4.25Å; Y68-C103 PolarHBondContact O-SG 3.48Å; Y68-K104 PolarHBondContact N-O 3.41Å; Y68-K104 PolarHBondContact O-N 2.89Å; Y68-K106 HydrophobicContact CE2-CB 3.97Å; Y68-L113 HydrophobicContact CD2-CD2 3.66Å; Y68-L113 HydrophobicContact CE2-CD2 4.09Å; Y68-L113 HydrophobicContact CG-CD2 4.24Å
69L91.6Very high84.4Confident0 Ų080 Ų800%041%0.411CS..EExtended strand (participates in β ladder)trans-128.6130.8175.8-166.475.8000108V54 T75 V76 F89 V101 C103V54-L69 HydrophobicContact CB-CD2 3.77Å; V54-L69 HydrophobicContact CG1-CD1 4.11Å; V54-L69 HydrophobicContact CG1-CD2 3.72Å; V54-L69 HydrophobicContact CG2-CD2 4.33Å; L69-T75 WeakPolarHBondContact O-CA 3.44Å; L69-V76 HydrophobicContact CB-CB 4.26Å; L69-V76 HydrophobicContact CB-CG2 4.3Å; L69-V76 HydrophobicContact CD2-CG2 4.34Å; L69-V76 HydrophobicContact CG-CG2 4.48Å; L69-V76 WeakPolarHBondContact O-CB 3.41Å; L69-V76 WeakPolarHBondContact O-CG2 3.37Å; L69-V76 PolarHBondContact O-N 3.32Å; L69-F89 HydrophobicContact CB-CB 4.27Å; L69-F89 HydrophobicContact CB-CD1 3.51Å; L69-F89 HydrophobicContact CB-CD2 3.81Å; L69-F89 HydrophobicContact CB-CE1 3.69Å; L69-F89 HydrophobicContact CB-CE2 3.97Å; L69-F89 HydrophobicContact CB-CG 3.59Å; L69-F89 HydrophobicContact CB-CZ 3.92Å; L69-F89 HydrophobicContact CD2-CB 3.51Å; L69-F89 HydrophobicContact CD2-CD1 4.38Å; L69-F89 HydrophobicContact CD2-CD2 4.04Å; L69-F89 HydrophobicContact CD2-CG 3.74Å; L69-F89 HydrophobicContact CG-CD2 4.36Å; L69-F89 HydrophobicContact CG-CG 4.25Å; L69-V101 HydrophobicContact CD1-CG1 3.54Å; L69-V101 HydrophobicContact CD2-CG1 3.81Å; L69-V101 HydrophobicContact CG-CG1 3.78Å; L69-C103 HydrophobicContact CD1-CB 3.77Å
70D91.6Very high84.6Confident16 Ų1679.6 Ų79.69%0.08641%0.409CS..EExtended strand (participates in β ladder)trans-106.8121.9169.9-66.4-29.9000109.2Q74 T75 V101 V102 K104D70-Q74 CarbonylContact C-O 3.59Å; D70-Q74 WeakPolarHBondContact CA-O 3.26Å; D70-T75 WeakPolarHBondContact OD1-CA 3.46Å; D70-T75 VanDerWaalsContact OD1-CB 3.27Å; D70-T75 WeakPolarHBondContact OD1-CB 3.31Å; D70-T75 PolarHBondContact OD1-N 3.34Å; D70-T75 PolarHBondContact OD1-OG1 3.49Å; D70-V101 WeakPolarHBondContact O-CA 3.24Å; D70-V102 PolarHBondContact N-O 2.9Å; D70-V102 PolarHBondContact O-N 2.99Å; D70-K104 VanDerWaalsContact OD2-CE 3.31Å; D70-K104 WeakPolarHBondContact OD2-CE 3.38Å; D70-K104 IonicContact OD2-NZ 2.74Å; D70-K104 PolarHBondContact OD2-NZ 3.49Å
71L89.1Confident84.9Confident33 Ų3378.1 Ų78.117%0.17340%0.397CS..EExtended strand (participates in β ladder)trans-96119.6168.1170.767000107.6K73 Q74 V76 L91 V94 V101L71-K73 PolarHBondContact O-N 3.21Å; L71-Q74 PolarHBondContact N-O 3.48Å; L71-Q74 PolarHBondContact O-N 3.32Å; L71-V76 HydrophobicContact CB-CG2 4.01Å; L71-L91 HydrophobicContact CB-CD2 4.39Å; L71-L91 HydrophobicContact CD1-CD1 4.44Å; L71-L91 HydrophobicContact CD2-CD1 4.34Å; L71-L91 HydrophobicContact CD2-CD2 4.08Å; L71-V94 HydrophobicContact CD2-CG1 4.49Å; L71-V94 HydrophobicContact CD2-CG2 4.21Å; L71-V101 HydrophobicContact CD1-CG2 3.62Å
72N87Confident85.4Confident38 Ų3878.5 Ų78.520%0.20340%0.397CS..THydrogen-bonded Turntrans48.643.1-179.1-69.3-88.2000112.8Q74 K96 S99 E100N72-Q74 VanDerWaalsContact C-N 3.3Å; N72-Q74 PolarHBondContact O-N 2.85Å; N72-K96 HydrophobicContact CB-CD 4.24Å; N72-K96 WeakPolarHBondContact OD1-CD 3.48Å; N72-S99 WeakPolarHBondContact ND2-CB 3.29Å; N72-S99 PolarHBondContact ND2-OG 2.83Å; N72-S99 VanDerWaalsContact ND2-OG 3.1Å; N72-E100 PolarHBondContact N-O 2.81Å
73K86Confident86Confident170 Ų17079.6 Ų79.674%0.73940%0.404SS*.THydrogen-bonded Turntrans67.517.1-177.5-50.6173.6-174175.10115.5L71 E100L71-K73 PolarHBondContact O-N 3.21Å; K73-E100 WeakPolarHBondContact CE-OE2 3.46Å
74Q88.3Confident86.6Confident149 Ų14972.5 Ų72.570%0.69638%0.379SS*.EExtended strand (participates in β ladder)trans-115.5128.1172.5-61.8-175.4-2.800111.5D70 L71 N72D70-Q74 CarbonylContact C-O 3.59Å; D70-Q74 WeakPolarHBondContact CA-O 3.26Å; L71-Q74 PolarHBondContact N-O 3.48Å; L71-Q74 PolarHBondContact O-N 3.32Å; N72-Q74 VanDerWaalsContact C-N 3.3Å; N72-Q74 PolarHBondContact O-N 2.85Å
75T87.5Confident87.4Confident74 Ų7471.4 Ų71.445%0.45436%0.359SS..EExtended strand (participates in β ladder)trans-73.9132-173.9-49.40000113.4Y68 L69 D70 N77Y68-T75 HydrophobicContact CD1-CG2 4.25Å; L69-T75 WeakPolarHBondContact O-CA 3.44Å; D70-T75 WeakPolarHBondContact OD1-CA 3.46Å; D70-T75 VanDerWaalsContact OD1-CB 3.27Å; D70-T75 WeakPolarHBondContact OD1-CB 3.31Å; D70-T75 PolarHBondContact OD1-N 3.34Å; D70-T75 PolarHBondContact OD1-OG1 3.49Å; T75-N77 PolarHBondContact O-N 2.83Å
76V89.3Confident87.9Confident20 Ų2071.9 Ų71.912%0.12136%0.361CS..  trans-88.7107.7-175.2-177.90000110.1L69 L71 F89 L91L69-V76 HydrophobicContact CB-CB 4.26Å; L69-V76 HydrophobicContact CB-CG2 4.3Å; L69-V76 HydrophobicContact CD2-CG2 4.34Å; L69-V76 HydrophobicContact CG-CG2 4.48Å; L69-V76 WeakPolarHBondContact O-CB 3.41Å; L69-V76 WeakPolarHBondContact O-CG2 3.37Å; L69-V76 PolarHBondContact O-N 3.32Å; L71-V76 HydrophobicContact CB-CG2 4.01Å; V76-F89 HydrophobicContact CB-CD1 4.25Å; V76-F89 HydrophobicContact CG1-CB 4.19Å; V76-F89 HydrophobicContact CG1-CD1 4.2Å; V76-L91 HydrophobicContact CB-CD2 4.26Å; V76-L91 HydrophobicContact CG1-CD2 3.65Å; V76-L91 HydrophobicContact CG2-CD2 3.53Å
77N86.1Confident88.3Confident151 Ų15167 Ų6781%0.80734%0.341SS*.  trans-73.6-34.2-177.7-68.1-47.6000113.6T75 S79T75-N77 PolarHBondContact O-N 2.83Å; N77-S79 PolarHBondContact O-N 2.75Å; N77-S79 VanDerWaalsContact O-N 3.12Å; N77-S79 PolarHBondContact O-OG 2.88Å
78L88.7Confident88.4Confident110 Ų11066.8 Ų66.858%0.57634%0.34SS*.  trans-81.895.6-171.7-167.662.6000110.9Y90L78-Y90 HydrophobicContact CG-CD2 4.2Å; L78-Y90 PolarHBondContact O-N 3.48Å
79S90.6Very high88.6Confident52 Ų5263.4 Ų63.436%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-139.1152.7-17157.30000113.1N77 A88N77-S79 PolarHBondContact O-N 2.75Å; N77-S79 VanDerWaalsContact O-N 3.12Å; N77-S79 PolarHBondContact O-OG 2.88Å; S79-A88 CarbonylContact C-O 3.39Å; S79-A88 VanDerWaalsContact CA-O 3.28Å; S79-A88 WeakPolarHBondContact CA-O 3.38Å
80K90.5Very high88.6Confident127 Ų12767.4 Ų67.455%0.55234%0.342SS*.EExtended strand (participates in β ladder)trans-138.4118.6177.1-179.7177.4178.7-177.30109.7V82 A88 Y90K80-V82 PolarHBondContact O-N 2.89Å; K80-A88 PolarHBondContact N-O 3.34Å; K80-A88 PolarHBondContact O-N 3.12Å; K80-Y90 HydrophobicContact CB-CE2 3.91Å
81R87.1Confident88.5Confident118 Ų11867 Ų6745%0.44534%0.34SS..EExtended strand (participates in β ladder)trans-66.1124.5170.1-171.6169.9-138.4146.89.7108.7S65 N83 C84S65-R81 PolarHBondContact O-NH1 3Å; S65-R81 PolarHBondContact O-NH2 3.29Å; R81-N83 WeakPolarHBondContact CG-O 3.4Å; R81-N83 PolarHBondContact NE-O 3.33Å; R81-C84 PolarHBondContact NH2-O 2.96Å
82V87.6Confident88.4Confident82 Ų8269.5 Ų69.550%0.49736%0.358SS..  trans-93.7-44.8-178.5-1790000110K80 T86 A88K80-V82 PolarHBondContact O-N 2.89Å; V82-T86 HydrophobicContact CB-CG2 4.31Å; V82-T86 PolarHBondContact N-O 3.19Å; V82-A88 HydrophobicContact CG2-CB 3.84Å
83N84.9Confident88.3Confident76 Ų7675.8 Ų75.841%0.40638%0.379SS..SBendtrans-149.7-166.8172.361.439.2000108.8R81 T85 T86R81-N83 WeakPolarHBondContact CG-O 3.4Å; R81-N83 PolarHBondContact NE-O 3.33Å; N83-T85 PolarHBondContact OD1-N 3.48Å; N83-T85 PolarHBondContact OD1-OG1 3.43Å; N83-T85 VanDerWaalsContact OD1-OG1 3.07Å; N83-T86 PolarHBondContact N-O 3.15Å; N83-T86 VanDerWaalsContact OD1-CB 3.28Å; N83-T86 WeakPolarHBondContact OD1-CB 3.25Å; N83-T86 PolarHBondContact OD1-N 2.73Å; N83-T86 PolarHBondContact OD1-OG1 3.35Å
84C81.9Confident88.2Confident46 Ų4668.1 Ų68.131%0.31135%0.346SS..SBendtrans-64-43.9178.6-172.50000112.6C61 R81C61-C84 HydrophobicContact CB-CB 3.93Å; C61-C84 WeakPolarHBondContact CB-SG 3.3Å; C61-C84 WeakPolarHBondContact SG-CB 3.47Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 2.95Å; R81-C84 PolarHBondContact NH2-O 2.96Å
85T86.1Confident88Confident46 Ų4668.8 Ų68.828%0.28234%0.342SS..SBendtrans-89.3-5.7-172.8530000114.1H57 T58 C61 M67 N83H57-T85 CarbonylContact C-O 3.52Å; H57-T85 VanDerWaalsContact CA-O 3.25Å; H57-T85 WeakPolarHBondContact CA-O 3.43Å; T58-T85 HydrophobicContact CG2-CG2 4.29Å; T58-T85 PolarHBondContact N-O 2.8Å; T58-T85 WeakPolarHBondContact O-CB 3.22Å; C61-T85 HydrophobicContact CB-CG2 3.98Å; M67-T85 WeakPolarHBondContact CE-O 3.49Å; N83-T85 PolarHBondContact OD1-N 3.48Å; N83-T85 PolarHBondContact OD1-OG1 3.43Å; N83-T85 VanDerWaalsContact OD1-OG1 3.07Å
86T89.8Confident87.9Confident13 Ų1370.6 Ų70.68%0.0834%0.344CS..EExtended strand (participates in β ladder)trans-137.6127.4-172.4-53.70000112.1Y55 C56 H57 V82 N83Y55-T86 HydrophobicContact CD1-CG2 4.33Å; C56-T86 VanDerWaalsContact O-CA 3.31Å; C56-T86 WeakPolarHBondContact O-CA 3.27Å; H57-T86 WeakPolarHBondContact ND1-CG2 3.49Å; H57-T86 PolarHBondContact ND1-OG1 3.44Å; V82-T86 HydrophobicContact CB-CG2 4.31Å; V82-T86 PolarHBondContact N-O 3.19Å; N83-T86 PolarHBondContact N-O 3.15Å; N83-T86 VanDerWaalsContact OD1-CB 3.28Å; N83-T86 WeakPolarHBondContact OD1-CB 3.25Å; N83-T86 PolarHBondContact OD1-N 2.73Å; N83-T86 PolarHBondContact OD1-OG1 3.35Å
87T91.6Very high87.6Confident9 Ų971.9 Ų71.96%0.05535%0.353CS..EExtended strand (participates in β ladder)trans-123.6129.4171.2-56.40000109.9C56 M67 F89C56-T87 PolarHBondContact N-O 3.28Å; C56-T87 PolarHBondContact O-N 2.9Å; M67-T87 HydrophobicContact CB-CG2 4.47Å; M67-T87 VanDerWaalsContact SD-CB 3.55Å; M67-T87 PolarHBondContact SD-OG1 3.45Å; T87-F89 HydrophobicContact CG2-CD2 4.28Å; T87-F89 HydrophobicContact CG2-CE1 4.41Å; T87-F89 HydrophobicContact CG2-CE2 3.61Å; T87-F89 HydrophobicContact CG2-CZ 3.68Å
88A92.3Very high87.7Confident0 Ų069.4 Ų69.40%034%0.339CS..EExtended strand (participates in β ladder)trans-91.1141.6173.800000110.6T53 V54 Y55 S79 K80 V82T53-A88 HydrophobicContact CG2-CB 4.14Å; V54-A88 CarbonylContact O-C 3.59Å; V54-A88 WeakPolarHBondContact O-CA 3.37Å; Y55-A88 HydrophobicContact CD1-CB 3.74Å; Y55-A88 HydrophobicContact CE1-CB 3.71Å; S79-A88 CarbonylContact C-O 3.39Å; S79-A88 VanDerWaalsContact CA-O 3.28Å; S79-A88 WeakPolarHBondContact CA-O 3.38Å; K80-A88 PolarHBondContact N-O 3.34Å; K80-A88 PolarHBondContact O-N 3.12Å; V82-A88 HydrophobicContact CG2-CB 3.84Å
89F93.3Very high87.7Confident1 Ų164.1 Ų64.10%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-127.8133.3178.4-65.1-94.1000109.2T53 V54 C56 M67 L69 V76 T87T53-F89 WeakPolarHBondContact CA-O 3.23Å; V54-F89 PolarHBondContact N-O 2.94Å; V54-F89 PolarHBondContact O-N 3.21Å; C56-F89 HydrophobicContact CB-CE2 4.17Å; M67-F89 HydrophobicContact CB-CE2 4.4Å; M67-F89 HydrophobicContact CB-CZ 4.1Å; L69-F89 HydrophobicContact CB-CB 4.27Å; L69-F89 HydrophobicContact CB-CD1 3.51Å; L69-F89 HydrophobicContact CB-CD2 3.81Å; L69-F89 HydrophobicContact CB-CE1 3.69Å; L69-F89 HydrophobicContact CB-CE2 3.97Å; L69-F89 HydrophobicContact CB-CG 3.59Å; L69-F89 HydrophobicContact CB-CZ 3.92Å; L69-F89 HydrophobicContact CD2-CB 3.51Å; L69-F89 HydrophobicContact CD2-CD1 4.38Å; L69-F89 HydrophobicContact CD2-CD2 4.04Å; L69-F89 HydrophobicContact CD2-CG 3.74Å; L69-F89 HydrophobicContact CG-CD2 4.36Å; L69-F89 HydrophobicContact CG-CG 4.25Å; V76-F89 HydrophobicContact CB-CD1 4.25Å; V76-F89 HydrophobicContact CG1-CB 4.19Å; V76-F89 HydrophobicContact CG1-CD1 4.2Å; T87-F89 HydrophobicContact CG2-CD2 4.28Å; T87-F89 HydrophobicContact CG2-CE1 4.41Å; T87-F89 HydrophobicContact CG2-CE2 3.61Å; T87-F89 HydrophobicContact CG2-CZ 3.68Å
90Y91.5Very high87.6Confident85 Ų8565.3 Ų65.333%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-103.9119.6-174.7-58.4-77.6000110T53 L78 K80 P92T53-Y90 HydrophobicContact CG2-CD1 3.89Å; T53-Y90 HydrophobicContact CG2-CE1 3.75Å; L78-Y90 HydrophobicContact CG-CD2 4.2Å; L78-Y90 PolarHBondContact O-N 3.48Å; K80-Y90 HydrophobicContact CB-CE2 3.91Å; Y90-P92 VanDerWaalsContact O-CD 3.26Å; Y90-P92 WeakPolarHBondContact O-CD 3.41Å
91L89.6Confident87.7Confident8 Ų859.3 Ų59.34%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-109.893.7-177.4-62-177000110N51 L52 V54 L71 V76 V94N51-L91 WeakPolarHBondContact CA-O 3.32Å; L52-L91 HydrophobicContact CB-CB 4.3Å; L52-L91 HydrophobicContact CD2-CD1 4.21Å; L52-L91 PolarHBondContact N-O 3.37Å; L52-L91 PolarHBondContact O-N 3.47Å; V54-L91 HydrophobicContact CG2-CD1 3.63Å; V54-L91 HydrophobicContact CG2-CG 4.39Å; L71-L91 HydrophobicContact CB-CD2 4.39Å; L71-L91 HydrophobicContact CD1-CD1 4.44Å; L71-L91 HydrophobicContact CD2-CD1 4.34Å; L71-L91 HydrophobicContact CD2-CD2 4.08Å; V76-L91 HydrophobicContact CB-CD2 4.26Å; V76-L91 HydrophobicContact CG1-CD2 3.65Å; V76-L91 HydrophobicContact CG2-CD2 3.53Å; L91-V94 HydrophobicContact CB-CG2 3.81Å; L91-V94 HydrophobicContact CD1-CG2 4.43Å
92P86.3Confident87.9Confident85 Ų8554.6 Ų54.655%0.55227%0.27SS*.  trans-78.2129.4176.831-33.5000111.3N51 Y90N51-P92 VanDerWaalsContact OD1-CA 3.28Å; N51-P92 WeakPolarHBondContact OD1-CA 3.45Å; Y90-P92 VanDerWaalsContact O-CD 3.26Å; Y90-P92 WeakPolarHBondContact O-CD 3.41Å
93R84.6Confident88.1Confident169 Ų16950.7 Ų50.764%0.63825%0.246SC*.SBendtrans50.771173.1-54.6-179.8-64.7-168.7-0.3114.1G49 S50 N51 W95G49-R93 WeakPolarHBondContact O-CA 3.1Å; S50-R93 VanDerWaalsContact O-CA 3.26Å; S50-R93 WeakPolarHBondContact O-CA 3.16Å; S50-R93 PolarHBondContact O-N 2.83Å; N51-R93 PolarHBondContact OD1-N 3.47Å; R93-W95 PolarHBondContact O-NE1 3.48Å
94V85.1Confident88.3Confident9 Ų949.4 Ų49.46%0.05524%0.237CC..  trans-78.1131.6173.4-175.70000110G49 S50 L71 L91 L123G49-V94 WeakPolarHBondContact CA-O 3.11Å; G49-V94 PolarHBondContact N-O 2.86Å; S50-V94 PolarHBondContact O-N 3.29Å; L71-V94 HydrophobicContact CD2-CG1 4.49Å; L71-V94 HydrophobicContact CD2-CG2 4.21Å; L91-V94 HydrophobicContact CB-CG2 3.81Å; L91-V94 HydrophobicContact CD1-CG2 4.43Å; V94-L123 HydrophobicContact CB-CD2 3.79Å; V94-L123 HydrophobicContact CG1-CD1 3.92Å; V94-L123 HydrophobicContact CG1-CD2 3.77Å; V94-L123 WeakPolarHBondContact O-CD2 3.38Å
95W83.9Confident88.5Confident163 Ų16348 Ų4862%0.61723%0.225SC*.  trans-123.2-12.1-171.7-70.8100.8000116.1M48 R93M48-W95 HydrophobicContact CB-CE3 4.04Å; M48-W95 HydrophobicContact CB-CZ3 4.29Å; R93-W95 PolarHBondContact O-NE1 3.48Å
96K84.8Confident88.4Confident113 Ų11349.9 Ų49.949%0.49123%0.23SC..  trans-84129.2-178.2-79.3179.2170.6-1740110.5N72 L98 S99 L123N72-K96 HydrophobicContact CB-CD 4.24Å; N72-K96 WeakPolarHBondContact OD1-CD 3.48Å; K96-L98 PolarHBondContact O-N 2.97Å; K96-S99 WeakPolarHBondContact CB-OG 3.49Å; K96-S99 PolarHBondContact O-OG 3.17Å; K96-L123 WeakPolarHBondContact O-CD1 3.16Å
97P84.1Confident87.7Confident46 Ų4649.9 Ų49.930%0.29923%0.23SC..SBendtrans-63.3-39-170.320.9-31.5000114.1M48 L123 Y155M48-P97 HydrophobicContact CE-CB 3.51Å; M48-P97 HydrophobicContact CE-CG 4.05Å; P97-L123 VanDerWaalsContact CA-O 3.32Å; P97-L123 WeakPolarHBondContact CA-O 3.43Å; P97-L123 PolarHBondContact O-N 3.19Å; P97-Y155 HydrophobicContact CB-CD1 3.63Å; P97-Y155 HydrophobicContact CB-CD2 3.96Å; P97-Y155 HydrophobicContact CB-CE1 4.24Å; P97-Y155 HydrophobicContact CB-CG 3.45Å; P97-Y155 VanDerWaalsContact CB-CG 3.45Å; P97-Y155 HydrophobicContact CG-CD1 3.89Å; P97-Y155 HydrophobicContact CG-CE1 4.03Å; P97-Y155 HydrophobicContact CG-CG 4.16Å
98L87.5Confident86.7Confident99 Ų9953.4 Ų53.452%0.51826%0.255SS..EExtended strand (participates in β ladder)trans-108.4126.9161.5-170.766.4000107.3K96 D120K96-L98 PolarHBondContact O-N 2.97Å; L98-D120 HydrophobicContact CD1-CB 4.28Å
99S88Confident85.5Confident0 Ų061 Ų610%029%0.291CS..EExtended strand (participates in β ladder)trans-131.1100.8-178.1-80.80000111.2N72 K96 V101 L121N72-S99 WeakPolarHBondContact ND2-CB 3.29Å; N72-S99 PolarHBondContact ND2-OG 2.83Å; N72-S99 VanDerWaalsContact ND2-OG 3.1Å; K96-S99 WeakPolarHBondContact CB-OG 3.49Å; K96-S99 PolarHBondContact O-OG 3.17Å; S99-V101 PolarHBondContact O-N 2.7Å; S99-L121 PolarHBondContact N-O 2.83Å; S99-L121 PolarHBondContact O-N 3Å
100E90.1Very high84.1Confident77 Ų7766.2 Ų66.236%0.3632%0.318SS..EExtended strand (participates in β ladder)trans-63.5126.6172.2-175.5-166-173.400109.9N72 K73 V102 D120N72-E100 PolarHBondContact N-O 2.81Å; K73-E100 WeakPolarHBondContact CE-OE2 3.46Å; E100-V102 HydrophobicContact CG-CG2 3.86Å; E100-V102 WeakPolarHBondContact OE1-CG2 3.44Å; E100-D120 WeakPolarHBondContact CA-OD1 3.33Å
101V91.1Very high82.7Confident1 Ų167.3 Ų67.31%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-121.6116.8173.7175.60000109.9V54 L69 D70 L71 S99 G118 L119 L121V54-V101 HydrophobicContact CG1-CG1 4.08Å; L69-V101 HydrophobicContact CD1-CG1 3.54Å; L69-V101 HydrophobicContact CD2-CG1 3.81Å; L69-V101 HydrophobicContact CG-CG1 3.78Å; D70-V101 WeakPolarHBondContact O-CA 3.24Å; L71-V101 HydrophobicContact CD1-CG2 3.62Å; S99-V101 PolarHBondContact O-N 2.7Å; V101-G118 CarbonylContact O-C 3.6Å; V101-G118 VanDerWaalsContact O-CA 3.27Å; V101-G118 WeakPolarHBondContact O-CA 3.41Å; V101-L119 WeakPolarHBondContact CA-O 3.05Å; V101-L119 WeakPolarHBondContact CB-O 2.98Å; V101-L119 PolarHBondContact N-O 2.85Å; V101-L119 PolarHBondContact O-N 3.41Å; V101-L121 HydrophobicContact CG2-CD1 3.55Å; V101-L121 HydrophobicContact CG2-CG 3.99Å
102V92Very high82Confident19 Ų1970.2 Ų70.212%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-116.7119.7-177-173.40000110.2D70 E100 K104 I115D70-V102 PolarHBondContact N-O 2.9Å; D70-V102 PolarHBondContact O-N 2.99Å; E100-V102 HydrophobicContact CG-CG2 3.86Å; E100-V102 WeakPolarHBondContact OE1-CG2 3.44Å; V102-K104 HydrophobicContact CG1-CG 4.26Å; V102-I115 HydrophobicContact CG1-CD1 4.49Å; V102-I115 HydrophobicContact CG1-CG1 4.33Å; V102-I115 HydrophobicContact CG1-CG2 3.76Å
103C90.9Very high81.7Confident0 Ų070.5 Ų70.50%036%0.36CS..EExtended strand (participates in β ladder)trans-89.2138.9171.8-173.80000111.7V38 C56 Y68 L69 I116 C117V38-C103 HydrophobicContact CG2-CB 3.69Å; C56-C103 HydrophobicContact CB-CB 3.72Å; C56-C103 WeakPolarHBondContact CB-SG 3.29Å; C56-C103 WeakPolarHBondContact SG-CB 3.41Å; C56-C103 CovalentContact SG-SG 2.01Å; C56-C103 PolarHBondContact SG-SG 2.91Å; Y68-C103 PolarHBondContact O-SG 3.48Å; L69-C103 HydrophobicContact CD1-CB 3.77Å; C103-I116 HydrophobicContact CB-CB 4.35Å; C103-I116 PolarHBondContact O-N 3.42Å; C103-C117 PolarHBondContact N-O 2.74Å
104K89.1Confident81.7Confident49 Ų4968 Ų6821%0.21336%0.356CS..EExtended strand (participates in β ladder)trans-131.7148.3-177.3-63.2176.7-178170.50111.6M67 Y68 D70 V102 L113 E114 I115M67-K104 CarbonylContact C-O 3.48Å; M67-K104 WeakPolarHBondContact CA-O 3.35Å; Y68-K104 PolarHBondContact N-O 3.41Å; Y68-K104 PolarHBondContact O-N 2.89Å; D70-K104 VanDerWaalsContact OD2-CE 3.31Å; D70-K104 WeakPolarHBondContact OD2-CE 3.38Å; D70-K104 IonicContact OD2-NZ 2.74Å; D70-K104 PolarHBondContact OD2-NZ 3.49Å; V102-K104 HydrophobicContact CG1-CG 4.26Å; K104-L113 HydrophobicContact CB-CB 4.45Å; K104-L113 HydrophobicContact CB-CD2 4.19Å; K104-L113 HydrophobicContact CD-CB 4.46Å; K104-E114 CarbonylContact C-O 3.52Å; K104-E114 WeakPolarHBondContact CA-O 3.25Å; K104-E114 WeakPolarHBondContact CB-O 3.41Å; K104-I115 HydrophobicContact CG-CG1 4.2Å
105M86.3Confident81.7Confident15 Ų1572.1 Ų72.17%0.07438%0.376CS..EExtended strand (participates in β ladder)trans-113.3142.2172.9-160.1162.264.700110.7L113 E114 I116M105-L113 WeakPolarHBondContact O-CA 3.45Å; M105-E114 PolarHBondContact N-O 3.09Å; M105-E114 PolarHBondContact O-N 2.75Å; M105-I116 HydrophobicContact CB-CD1 3.96Å; M105-I116 HydrophobicContact CB-CG1 4.04Å
106K84.4Confident81.8Confident86 Ų8664.5 Ų64.537%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-107.1115.1157.6-173.5157-178.7152.20108.8S65 K66 Y68 S111 L113S65-K106 VanDerWaalsContact CA-O 3.26Å; S65-K106 WeakPolarHBondContact CA-O 3.29Å; S65-K106 WeakPolarHBondContact CB-O 3.45Å; K66-K106 PolarHBondContact N-O 2.72Å; K66-K106 VanDerWaalsContact N-O 3.09Å; K66-K106 PolarHBondContact O-N 2.72Å; Y68-K106 HydrophobicContact CE2-CB 3.97Å; K106-S111 WeakPolarHBondContact CE-O 3.34Å; K106-S111 PolarHBondContact NZ-O 3.03Å; K106-L113 HydrophobicContact CB-CD2 3.95Å
107S76Confident82Confident13 Ų1360.6 Ų60.69%0.09133%0.334CS..  trans-71.6163.1169.5-176.10000110.5E62 Q109E62-S107 PolarHBondContact OE1-OG 2.88Å; E62-S107 WeakPolarHBondContact OE2-CB 3.43Å; E62-S107 PolarHBondContact OE2-OG 3.38Å; S107-Q109 VanDerWaalsContact C-N 3.28Å; S107-Q109 PolarHBondContact OG-N 2.93Å
108S69.2Low82.3Confident83 Ų8360.5 Ų60.558%0.5834%0.342SS*.SBendtrans-76.7-15.1167.748.80000113K63K63-S108 PolarHBondContact O-OG 2.83Å
109Q67.2Low82.4Confident160 Ų16057.7 Ų57.775%0.74833%0.327SS*.SBendtrans-97.6-18.6-176.1-58.5-176.667.500114S107S107-Q109 VanDerWaalsContact C-N 3.28Å; S107-Q109 PolarHBondContact OG-N 2.93Å
110L64.9Low82.4Confident110 Ų11061.7 Ų61.758%0.57635%0.348SS*.  trans-124.4138.6-174.6-73.3166.4000111.3
111S61.8Low82.3Confident108 Ų10858 Ų5876%0.75533%0.331SS*.SBendtrans-77.2-29.2-18051.70000113.2K106K106-S111 WeakPolarHBondContact CE-O 3.34Å; K106-S111 PolarHBondContact NZ-O 3.03Å
112A74.6Confident82.2Confident69 Ų6962.3 Ų62.357%0.5735%0.351SS*.SBendtrans-76.5165.1178.600000113.3
113L80.6Confident82Confident91 Ų9161.4 Ų61.448%0.47635%0.346SS..PPolyproline II helixtrans-96.5122.3170.8-78.9156.5000109.2Y68 K104 M105 K106Y68-L113 HydrophobicContact CD2-CD2 3.66Å; Y68-L113 HydrophobicContact CE2-CD2 4.09Å; Y68-L113 HydrophobicContact CG-CD2 4.24Å; K104-L113 HydrophobicContact CB-CB 4.45Å; K104-L113 HydrophobicContact CB-CD2 4.19Å; K104-L113 HydrophobicContact CD-CB 4.46Å; M105-L113 WeakPolarHBondContact O-CA 3.45Å; K106-L113 HydrophobicContact CB-CD2 3.95Å
114E84Confident81.9Confident117 Ų11761.4 Ų61.455%0.54735%0.346SS..EExtended strand (participates in β ladder)trans-87.7146.5173.7-176.5171.6-143.200110K104 M105K104-E114 CarbonylContact C-O 3.52Å; K104-E114 WeakPolarHBondContact CA-O 3.25Å; K104-E114 WeakPolarHBondContact CB-O 3.41Å; M105-E114 PolarHBondContact N-O 3.09Å; M105-E114 PolarHBondContact O-N 2.75Å
115I85.5Confident81.9Confident95 Ų9560.8 Ų60.849%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-89.9125.1176.5-62.8172.9000108.7V102 K104V102-I115 HydrophobicContact CG1-CD1 4.49Å; V102-I115 HydrophobicContact CG1-CG1 4.33Å; V102-I115 HydrophobicContact CG1-CG2 3.76Å; K104-I115 HydrophobicContact CG-CG1 4.2Å
116I86.6Confident82.2Confident3 Ų362.6 Ų62.62%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-79.7-58.7176.3-65.8-176.7000109.7S34 G35 H57 M67 C103 M105S34-I116 CarbonylContact C-O 3.57Å; S34-I116 WeakPolarHBondContact CA-O 3.39Å; S34-I116 VanDerWaalsContact CB-O 3.31Å; S34-I116 WeakPolarHBondContact CB-O 3.39Å; G35-I116 PolarHBondContact N-O 3.2Å; H57-I116 WeakPolarHBondContact O-CG2 3.46Å; M67-I116 HydrophobicContact CE-CD1 3.84Å; M67-I116 HydrophobicContact CG-CD1 4.2Å; C103-I116 HydrophobicContact CB-CB 4.35Å; C103-I116 PolarHBondContact O-N 3.42Å; M105-I116 HydrophobicContact CB-CD1 3.96Å; M105-I116 HydrophobicContact CB-CG1 4.04Å
117C88.9Confident82.5Confident32 Ų3259.1 Ų59.122%0.21634%0.344CS..EExtended strand (participates in β ladder)trans-169.5161.4-176.7-169.10000109.4V38 C103V38-C117 HydrophobicContact CG2-CB 4.21Å; C103-C117 PolarHBondContact N-O 2.74Å
118G89.2Confident83.3Confident44 Ų4460.7 Ų60.745%0.45435%0.351SS..EExtended strand (participates in β ladder)trans-113.7163.3172.100000112.5V101V101-G118 CarbonylContact O-C 3.6Å; V101-G118 VanDerWaalsContact O-CA 3.27Å; V101-G118 WeakPolarHBondContact O-CA 3.41Å
119L89.4Confident84.3Confident39 Ų3961.6 Ų61.620%0.20434%0.344CS..EExtended strand (participates in β ladder)trans-149.1129.3171.2175.463.5000108.8V38 A40 T44 V101 L121V38-L119 HydrophobicContact CB-CB 4.14Å; V38-L119 HydrophobicContact CG1-CB 3.91Å; V38-L119 HydrophobicContact CG1-CD2 3.96Å; A40-L119 HydrophobicContact CB-CD2 3.82Å; T44-L119 HydrophobicContact CG2-CD1 4.22Å; T44-L119 HydrophobicContact CG2-CD2 4.5Å; V101-L119 WeakPolarHBondContact CA-O 3.05Å; V101-L119 WeakPolarHBondContact CB-O 2.98Å; V101-L119 PolarHBondContact N-O 2.85Å; V101-L119 PolarHBondContact O-N 3.41Å; L119-L121 HydrophobicContact CD2-CD2 4.2Å; L119-L121 HydrophobicContact CG-CD2 4.41Å
120D89.4Confident85.4Confident84 Ų8454.1 Ų54.145%0.44931%0.309SS..EExtended strand (participates in β ladder)trans-89133.6170.8-70.6-50.6000110.8L98 E100L98-D120 HydrophobicContact CD1-CB 4.28Å; E100-D120 WeakPolarHBondContact CA-OD1 3.33Å
121L88.1Confident86.6Confident0 Ų051.2 Ų51.20%030%0.301CS..EExtended strand (participates in β ladder)trans-104.7131.2173.5-56.3172000109.4A40 L52 S99 V101 L119 L123A40-L121 HydrophobicContact CB-CD2 4.05Å; L52-L121 HydrophobicContact CD2-CD1 3.3Å; L52-L121 HydrophobicContact CD2-CD2 3.78Å; L52-L121 HydrophobicContact CD2-CG 4.18Å; S99-L121 PolarHBondContact N-O 2.83Å; S99-L121 PolarHBondContact O-N 3Å; V101-L121 HydrophobicContact CG2-CD1 3.55Å; V101-L121 HydrophobicContact CG2-CG 3.99Å; L119-L121 HydrophobicContact CD2-CD2 4.2Å; L119-L121 HydrophobicContact CG-CD2 4.41Å; L121-L123 HydrophobicContact CB-CD1 3.79Å
122H87.6Confident87.8Confident91 Ų9151.2 Ų51.242%0.42129%0.293SS..EExtended strand (participates in β ladder)trans-103.4120.3175.8-67.7-96.4000109.1T44 V45 L46T44-H122 PolarHBondContact O-N 2.88Å; V45-H122 CarbonylContact C-O 3.44Å; V45-H122 VanDerWaalsContact CA-O 3.31Å; V45-H122 WeakPolarHBondContact CA-O 3.39Å; V45-H122 HydrophobicContact CG2-CB 4.38Å; L46-H122 PolarHBondContact N-O 3.07Å
123L87.7Confident88.4Confident1 Ų148.9 Ų48.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-119.7118.9-177.9-69.198.2000111L46 M48 V94 K96 P97 L121L46-L123 HydrophobicContact CB-CD2 4.32Å; L46-L123 HydrophobicContact CB-CG 4.23Å; L46-L123 CarbonylContact O-C 3.47Å; L46-L123 VanDerWaalsContact O-CA 3.24Å; L46-L123 WeakPolarHBondContact O-CA 3.46Å; M48-L123 WeakPolarHBondContact CE-O 3.24Å; M48-L123 HydrophobicContact CG-CB 3.98Å; V94-L123 HydrophobicContact CB-CD2 3.79Å; V94-L123 HydrophobicContact CG1-CD1 3.92Å; V94-L123 HydrophobicContact CG1-CD2 3.77Å; V94-L123 WeakPolarHBondContact O-CD2 3.38Å; K96-L123 WeakPolarHBondContact O-CD1 3.16Å; P97-L123 VanDerWaalsContact CA-O 3.32Å; P97-L123 WeakPolarHBondContact CA-O 3.43Å; P97-L123 PolarHBondContact O-N 3.19Å; L121-L123 HydrophobicContact CB-CD1 3.79Å
124G89.1Confident88.8Confident0 Ų047.4 Ų47.40%026%0.263CS..EExtended strand (participates in β ladder)trans-118.1-179.5-177.800000114.1L46 M48 T154L46-G124 PolarHBondContact O-N 2.79Å; M48-G124 PolarHBondContact N-O 2.97Å; G124-T154 CarbonylContact C-O 3.59Å; G124-T154 WeakPolarHBondContact CA-O 3.42Å
125L89.9Confident89Confident35 Ų3542.1 Ų42.118%0.18324%0.239CC..  trans-127.3151175.7-68.9169.3000109.9M48 R152 T154 N202M48-L125 HydrophobicContact CB-CD2 3.81Å; M48-L125 HydrophobicContact CB-CG 4.35Å; M48-L125 HydrophobicContact CG-CD2 4.23Å; M48-L125 HydrophobicContact CG-CG 4.22Å; M48-L125 HydrophobicContact SD-CD1 3.89Å; M48-L125 HydrophobicContact SD-CD2 4.13Å; M48-L125 HydrophobicContact SD-CG 3.8Å; L125-R152 HydrophobicContact CD1-CG 4.47Å; L125-T154 PolarHBondContact N-O 2.99Å; L125-T154 WeakPolarHBondContact O-CB 3.46Å; L125-T154 WeakPolarHBondContact O-CG2 3.45Å; L125-N202 PolarHBondContact O-ND2 3.45Å
126P91.2Very high89.2Confident54 Ų5439.9 Ų39.935%0.35123%0.226SC..PPolyproline II helixtrans-62.3154165.930.3-36.5000110.1F204P126-F204 HydrophobicContact CB-CB 4.22Å
127P92.7Very high89.4Confident13 Ų1340 Ų408%0.08423%0.227CC..PPolyproline II helixtrans-66.6138-179.728-34000111.5T154 T158 A200 S207P127-T154 HydrophobicContact CB-CG2 4.27Å; P127-T158 HydrophobicContact CB-CG2 4.03Å; P127-A200 HydrophobicContact CB-CB 3.91Å; P127-A200 HydrophobicContact CG-CB 4.24Å; P127-S207 WeakPolarHBondContact O-CB 3.32Å
128D91.6Very high89.3Confident45 Ų4539.8 Ų39.824%0.24123%0.225CC..PPolyproline II helixtrans-61167.2163.6-86.8-35.3000110.7P130 R152 S207D128-P130 WeakPolarHBondContact O-CD 3.44Å; D128-R152 IonicContact OD1-CZ 3Å; D128-R152 IonicContact OD1-NE 3.89Å; D128-R152 PolarHBondContact OD1-NE 3.21Å; D128-R152 VanDerWaalsContact OD1-NE 3.13Å; D128-R152 IonicContact OD1-NH2 3.55Å; D128-R152 PolarHBondContact OD1-NH2 2.67Å; D128-R152 WeakPolarHBondContact OD2-CB 3.35Å; D128-R152 VanDerWaalsContact OD2-CG 3.28Å; D128-R152 WeakPolarHBondContact OD2-CG 3.32Å; D128-R152 IonicContact OD2-CZ 2.67Å; D128-R152 PolarHBondContact OD2-N 2.89Å; D128-R152 IonicContact OD2-NE 2.69Å; D128-R152 PolarHBondContact OD2-NE 3.05Å; D128-R152 IonicContact OD2-NH2 3.73Å; D128-R152 PolarHBondContact OD2-NH2 3.3Å; D128-S207 WeakPolarHBondContact O-CB 3.48Å; D128-S207 PolarHBondContact O-OG 3.25Å
129K91.1Very high88.9Confident103 Ų10344.5 Ų44.545%0.44823%0.229SC..PPolyproline II helixtrans-69.4120.4173.2-167.8-172.5-173.6-1740110.2A131 R208 D210K129-A131 PolarHBondContact O-N 3.15Å; K129-R208 WeakPolarHBondContact CE-O 3.26Å; K129-R208 VanDerWaalsContact CG-O 3.25Å; K129-R208 WeakPolarHBondContact CG-O 3.4Å; K129-D210 WeakPolarHBondContact CE-OD2 3.37Å; K129-D210 IonicContact NZ-OD1 2.68Å; K129-D210 PolarHBondContact NZ-OD1 2.87Å; K129-D210 IonicContact NZ-OD2 2.68Å; K129-D210 PolarHBondContact NZ-OD2 2.82Å
130P90.6Very high88.6Confident2 Ų247 Ų471%0.01325%0.251CS..PPolyproline II helixtrans-62.5132.4176.2-2133.2000110.8D128 L148 V198 A200 S207 S209D128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-L148 HydrophobicContact CB-CD1 4.24Å; P130-L148 HydrophobicContact CB-CD2 4.32Å; P130-V198 HydrophobicContact CG-CG1 4.5Å; P130-A200 HydrophobicContact CG-CB 3.84Å; P130-S207 WeakPolarHBondContact CD-OG 3.46Å; P130-S209 WeakPolarHBondContact O-CA 3.37Å; P130-S209 VanDerWaalsContact O-CB 3.3Å; P130-S209 WeakPolarHBondContact O-CB 3.21Å
131A88.9Confident88.5Confident49 Ų4944.5 Ų44.541%0.40524%0.239SC..EExtended strand (participates in β ladder)trans-128.9175.2-169.900000112.3K129 I133 D149K129-A131 PolarHBondContact O-N 3.15Å; A131-I133 PolarHBondContact O-N 2.82Å; A131-D149 HydrophobicContact CB-CB 4.41Å; A131-D149 PolarHBondContact N-O 2.82Å; A131-D149 PolarHBondContact O-N 2.83Å
132N87.2Confident88.5Confident108 Ų10851 Ų5158%0.57827%0.274SS*.EExtended strand (participates in β ladder)trans51.237.7168.1-163.524000114.8N134 D149N132-N134 PolarHBondContact O-N 3.17Å; N132-D149 HydrophobicContact CB-CB 4.12Å; N132-D149 WeakPolarHBondContact CB-OD2 3.35Å; N132-D149 PolarHBondContact ND2-OD2 2.99Å
133I88.1Confident88.6Confident20 Ų2050.3 Ų50.310%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-61.3124179.5-61.4167000108.8A131 S147 L148 L196 V198 S209 F212A131-I133 PolarHBondContact O-N 2.82Å; I133-S147 WeakPolarHBondContact CA-O 3.45Å; I133-L148 HydrophobicContact CG1-CB 3.95Å; I133-L196 HydrophobicContact CD1-CD2 4.13Å; I133-L196 HydrophobicContact CG2-CD2 4.22Å; I133-V198 HydrophobicContact CD1-CG2 3.91Å; I133-S209 WeakPolarHBondContact CD1-OG 3.23Å; I133-F212 HydrophobicContact CB-CB 4.18Å; I133-F212 HydrophobicContact CB-CD2 4.31Å; I133-F212 HydrophobicContact CB-CG 4.23Å; I133-F212 HydrophobicContact CD1-CB 4.34Å; I133-F212 HydrophobicContact CG2-CB 4.01Å; I133-F212 HydrophobicContact CG2-CD1 4.06Å; I133-F212 HydrophobicContact CG2-CD2 4.26Å; I133-F212 HydrophobicContact CG2-CG 3.85Å; I133-F212 WeakPolarHBondContact O-CD2 3.48Å; I133-F212 VanDerWaalsContact O-CE2 3.31Å; I133-F212 WeakPolarHBondContact O-CE2 3.16Å
134N88.3Confident88.7Confident60 Ų6050.2 Ų50.232%0.32127%0.273SS..EExtended strand (participates in β ladder)trans-134.2122.3177-178.487.5000109.2N132 C146 S147N132-N134 PolarHBondContact O-N 3.17Å; N134-C146 WeakPolarHBondContact O-CA 3.43Å; N134-S147 PolarHBondContact N-O 3.5Å; N134-S147 PolarHBondContact O-N 2.88Å; N134-S147 PolarHBondContact O-OG 2.92Å
135C89Confident88.8Confident6 Ų652.8 Ų52.84%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-110.6140.8178.3-61.40000110.8V144 N145 C146 F212 I219C135-V144 HydrophobicContact CB-CG1 4.02Å; C135-N145 CarbonylContact C-O 3.58Å; C135-N145 WeakPolarHBondContact CA-O 3.21Å; C135-C146 HydrophobicContact CB-CB 4.09Å; C135-C146 WeakPolarHBondContact CB-SG 3.39Å; C135-C146 WeakPolarHBondContact SG-CB 3.46Å; C135-C146 CovalentContact SG-SG 2.04Å; C135-C146 PolarHBondContact SG-SG 2.03Å; C135-F212 HydrophobicContact CB-CE1 4.04Å; C135-F212 HydrophobicContact CB-CZ 4.49Å; C135-I219 HydrophobicContact CB-CG2 4.17Å; C135-I219 WeakPolarHBondContact O-CG2 3.46Å
136E89.6Confident88.7Confident48 Ų4851.4 Ų51.422%0.22428%0.28CS..EExtended strand (participates in β ladder)trans-139.9152176.350.6162.5-130.100111.2N145 I219 I221 K315E136-N145 PolarHBondContact N-O 3.09Å; E136-N145 PolarHBondContact O-N 2.96Å; E136-I219 WeakPolarHBondContact CA-O 3.25Å; E136-I221 HydrophobicContact CB-CD1 4.31Å; E136-I221 HydrophobicContact CB-CG1 4.49Å; E136-I221 HydrophobicContact CB-CG2 4.38Å; E136-K315 WeakPolarHBondContact OE1-CE 3.47Å; E136-K315 IonicContact OE1-NZ 2.75Å; E136-K315 PolarHBondContact OE1-NZ 2.72Å
137T89.5Confident88.6Confident5 Ų552 Ų523%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-152.9152.1171.8-169.20000110L143 V144 L216 I219 V220 I221T137-L143 PolarHBondContact OG1-O 3.12Å; T137-V144 HydrophobicContact CG2-CG2 4.1Å; T137-L216 HydrophobicContact CG2-CD1 3.8Å; T137-I219 HydrophobicContact CG2-CD1 4.14Å; T137-I219 HydrophobicContact CG2-CG1 4.29Å; T137-I219 PolarHBondContact N-O 2.9Å; T137-I219 VanDerWaalsContact N-O 3.12Å; T137-V220 HydrophobicContact CG2-CG2 3.7Å; T137-V220 CarbonylContact O-C 3.58Å; T137-V220 WeakPolarHBondContact O-CA 3.25Å; T137-I221 WeakPolarHBondContact O-CG1 3.28Å; T137-I221 PolarHBondContact O-N 3.07Å
138T87.8Confident88.5Confident29 Ų2953 Ų5318%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-100.5163.7175.180.90000110.5S140 S141 R185 I221 E223T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 3.31Å; T138-S141 PolarHBondContact O-N 2.76Å; T138-S141 VanDerWaalsContact O-N 3.1Å; T138-S141 PolarHBondContact OG1-N 2.86Å; T138-R185 PolarHBondContact O-NH1 2.81Å; T138-I221 HydrophobicContact CG2-CD1 4.26Å; T138-I221 HydrophobicContact CG2-CG1 4.11Å; T138-E223 VanDerWaalsContact CB-CD 3.47Å; T138-E223 WeakPolarHBondContact CB-OE1 3.46Å; T138-E223 PolarHBondContact OG1-OE1 3.47Å; T138-E223 PolarHBondContact OG1-OE2 3.2Å
139R80.8Confident88.3Confident142 Ų14255 Ų5554%0.53630%0.3SS..THydrogen-bonded Turntrans-63.1-31.5-176.7-72.3-164.8-177.9-80.8-9.9113.7R185 V220 E223 E247R139-R185 PolarHBondContact O-NH1 3.13Å; R139-V220 HydrophobicContact CG-CG1 3.87Å; R139-E223 PolarHBondContact N-OE1 2.91Å; R139-E247 VanDerWaalsContact CD-CD 3.5Å; R139-E247 WeakPolarHBondContact CD-OE2 3.33Å; R139-E247 IonicContact NE-OE1 3.6Å; R139-E247 IonicContact NE-OE2 3.22Å; R139-E247 PolarHBondContact NE-OE2 2.92Å
140S83Confident88.1Confident93 Ų9354.1 Ų54.165%0.6529%0.294SS*.THydrogen-bonded Turntrans-92.84.6175.374.60000114.6T138 E223T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 3.31Å; S140-E223 PolarHBondContact N-OE1 3.39Å; S140-E223 PolarHBondContact OG-OE1 2.76Å; S140-E223 VanDerWaalsContact OG-OE1 3.1Å
141S86.3Confident87.8Confident31 Ų3156.5 Ų56.522%0.21732%0.319CS..  trans-86.1132.2177.2-173.70000111.5T138 L143 R185T138-S141 PolarHBondContact O-N 2.76Å; T138-S141 VanDerWaalsContact O-N 3.1Å; T138-S141 PolarHBondContact OG1-N 2.86Å; S141-L143 VanDerWaalsContact C-N 3.26Å; S141-L143 PolarHBondContact OG-N 2.92Å; S141-L143 VanDerWaalsContact OG-N 3.1Å; S141-L143 PolarHBondContact OG-O 2.82Å; S141-R185 WeakPolarHBondContact O-CD 3.45Å; S141-R185 PolarHBondContact O-NH1 3.16Å
142D88.3Confident87.8Confident137 Ų13761.2 Ų61.273%0.73333%0.326SS*.SBendtrans-82.5-3.5168.2-64.5-46.8000112.8R185D142-R185 WeakPolarHBondContact O-CB 3.42Å; D142-R185 PolarHBondContact O-N 3.15Å
143L90Very high87.8Confident75 Ų7562.7 Ų62.739%0.39333%0.33SS..EExtended strand (participates in β ladder)trans-121.3143.3-179.2-60.1178000111.7T137 S141T137-L143 PolarHBondContact OG1-O 3.12Å; S141-L143 VanDerWaalsContact C-N 3.26Å; S141-L143 PolarHBondContact OG-N 2.92Å; S141-L143 VanDerWaalsContact OG-N 3.1Å; S141-L143 PolarHBondContact OG-O 2.82Å
144V89.9Confident87.8Confident0 Ų062.5 Ų62.50%033%0.329CS..EExtended strand (participates in β ladder)trans-99.8120.8164175.70000107.8C135 T137 I183 R185 I188 I219C135-V144 HydrophobicContact CB-CG1 4.02Å; T137-V144 HydrophobicContact CG2-CG2 4.1Å; V144-I183 HydrophobicContact CB-CB 4.31Å; V144-I183 PolarHBondContact N-O 2.87Å; V144-I183 PolarHBondContact O-N 3.38Å; V144-R185 HydrophobicContact CG2-CB 4.28Å; V144-R185 HydrophobicContact CG2-CG 4.41Å; V144-I188 HydrophobicContact CB-CD1 4.48Å; V144-I188 HydrophobicContact CG2-CD1 3.84Å; V144-I219 HydrophobicContact CB-CD1 4.38Å; V144-I219 HydrophobicContact CG1-CD1 3.53Å; V144-I219 HydrophobicContact CG2-CD1 3.87Å
145N90.7Very high87.8Confident53 Ų5365 Ų6528%0.28334%0.335SS..EExtended strand (participates in β ladder)trans-99.4129.8178.9-71.532.8000109C135 E136 I181C135-N145 CarbonylContact C-O 3.58Å; C135-N145 WeakPolarHBondContact CA-O 3.21Å; E136-N145 PolarHBondContact N-O 3.09Å; E136-N145 PolarHBondContact O-N 2.96Å; N145-I181 CarbonylContact C-O 3.6Å; N145-I181 WeakPolarHBondContact CA-O 3.45Å
146C89Confident87.7Confident7 Ų766.1 Ų66.15%0.04734%0.342CS..EExtended strand (participates in β ladder)trans-119.7135.5176.5-55.10000111N134 C135 I181N134-C146 WeakPolarHBondContact O-CA 3.43Å; C135-C146 HydrophobicContact CB-CB 4.09Å; C135-C146 WeakPolarHBondContact CB-SG 3.39Å; C135-C146 WeakPolarHBondContact SG-CB 3.46Å; C135-C146 CovalentContact SG-SG 2.04Å; C135-C146 PolarHBondContact SG-SG 2.03Å; C146-I181 HydrophobicContact CB-CB 4.05Å; C146-I181 HydrophobicContact CB-CG2 4.19Å; C146-I181 PolarHBondContact N-O 3.36Å; C146-I181 WeakPolarHBondContact O-CB 3.47Å; C146-I181 PolarHBondContact O-N 2.89Å
147S89.1Confident87.6Confident67 Ų6770.2 Ų70.247%0.46937%0.365SS..EExtended strand (participates in β ladder)trans-106.5152.3169.458.50000110.2I133 N134I133-S147 WeakPolarHBondContact CA-O 3.45Å; N134-S147 PolarHBondContact N-O 3.5Å; N134-S147 PolarHBondContact O-N 2.88Å; N134-S147 PolarHBondContact O-OG 2.92Å
148L89.4Confident87.5Confident33 Ų3370.8 Ų70.817%0.17337%0.369CS..EExtended strand (participates in β ladder)trans-143.1157171.265.179.2000111.4P130 I133 R150 I181 V198P130-L148 HydrophobicContact CB-CD1 4.24Å; P130-L148 HydrophobicContact CB-CD2 4.32Å; I133-L148 HydrophobicContact CG1-CB 3.95Å; L148-R150 HydrophobicContact CD1-CB 4.39Å; L148-R150 HydrophobicContact CD1-CG 3.72Å; L148-I181 HydrophobicContact CD2-CD1 3.7Å; L148-I181 HydrophobicContact CG-CD1 4.39Å; L148-V198 HydrophobicContact CD2-CB 4.11Å; L148-V198 HydrophobicContact CD2-CG1 3.75Å; L148-V198 HydrophobicContact CD2-CG2 3.8Å
149D88.9Confident87.5Confident86 Ų8672.6 Ų72.646%0.4637%0.374SS..EExtended strand (participates in β ladder)trans-86.8116.3170-68.1-19.5000108.7A131 N132 G151A131-D149 HydrophobicContact CB-CB 4.41Å; A131-D149 PolarHBondContact N-O 2.82Å; A131-D149 PolarHBondContact O-N 2.83Å; N132-D149 HydrophobicContact CB-CB 4.12Å; N132-D149 WeakPolarHBondContact CB-OD2 3.35Å; N132-D149 PolarHBondContact ND2-OD2 2.99Å; D149-G151 VanDerWaalsContact C-N 3.3Å; D149-G151 PolarHBondContact O-N 2.9Å
150R85.3Confident87.9Confident85 Ų8566.8 Ų66.832%0.32135%0.352SS..  trans-71.7-18.6-177.1-73.1-178.8164.8162.5-7.7114.4L148 Y160 G178 E179L148-R150 HydrophobicContact CD1-CB 4.39Å; L148-R150 HydrophobicContact CD1-CG 3.72Å; R150-Y160 WeakPolarHBondContact CD-OH 3.45Å; R150-Y160 HydrophobicContact CG-CE1 4.21Å; R150-Y160 WeakPolarHBondContact CG-OH 3.35Å; R150-G178 VanDerWaalsContact NH2-C 3.27Å; R150-G178 PolarHBondContact NH2-O 2.81Å; R150-E179 VanDerWaalsContact CZ-CG 3.5Å; R150-E179 IonicContact CZ-OE1 3.13Å; R150-E179 VanDerWaalsContact NH1-CG 3.31Å; R150-E179 IonicContact NH1-OE1 2.76Å; R150-E179 PolarHBondContact NH1-OE1 2.91Å; R150-E179 VanDerWaalsContact NH2-CG 3.27Å
151G84.9Confident88.2Confident52 Ų5264.6 Ų64.654%0.53633%0.333SS..  trans84.6-147.6-167.700000112D149D149-G151 VanDerWaalsContact C-N 3.3Å; D149-G151 PolarHBondContact O-N 2.9Å
152R88.3Confident88.3Confident148 Ų14863.1 Ų63.156%0.55832%0.323SS*.SBendtrans-71.5158.5177.478.7-166.674.3-160.68.1112.6L125 D128 T154L125-R152 HydrophobicContact CD1-CG 4.47Å; D128-R152 IonicContact OD1-CZ 3Å; D128-R152 IonicContact OD1-NE 3.89Å; D128-R152 PolarHBondContact OD1-NE 3.21Å; D128-R152 VanDerWaalsContact OD1-NE 3.13Å; D128-R152 IonicContact OD1-NH2 3.55Å; D128-R152 PolarHBondContact OD1-NH2 2.67Å; D128-R152 WeakPolarHBondContact OD2-CB 3.35Å; D128-R152 VanDerWaalsContact OD2-CG 3.28Å; D128-R152 WeakPolarHBondContact OD2-CG 3.32Å; D128-R152 IonicContact OD2-CZ 2.67Å; D128-R152 PolarHBondContact OD2-N 2.89Å; D128-R152 IonicContact OD2-NE 2.69Å; D128-R152 PolarHBondContact OD2-NE 3.05Å; D128-R152 IonicContact OD2-NH2 3.73Å; D128-R152 PolarHBondContact OD2-NH2 3.3Å; R152-T154 PolarHBondContact O-N 2.95Å
153E87Confident88.4Confident139 Ų13957 Ų5765%0.6529%0.291SS*.  trans-62.7131.7164.9-71.9-171.5126.800111.2Y155E153-Y155 HydrophobicContact CB-CD1 4.29Å; E153-Y155 HydrophobicContact CB-CE1 3.93Å; E153-Y155 HydrophobicContact CB-CE2 4.23Å; E153-Y155 WeakPolarHBondContact O-CD2 3.42Å; E153-Y155 WeakPolarHBondContact O-CE2 3.15Å; E153-Y155 WeakPolarHBondContact OE2-CE1 3.12Å
154T88.3Confident88.4Confident16 Ų1653.4 Ų53.410%0.09827%0.272CS..  trans-87.5-16.9177.5470000113.2G124 L125 P127 R152 V156 T158G124-T154 CarbonylContact C-O 3.59Å; G124-T154 WeakPolarHBondContact CA-O 3.42Å; L125-T154 PolarHBondContact N-O 2.99Å; L125-T154 WeakPolarHBondContact O-CB 3.46Å; L125-T154 WeakPolarHBondContact O-CG2 3.45Å; P127-T154 HydrophobicContact CB-CG2 4.27Å; R152-T154 PolarHBondContact O-N 2.95Å; T154-V156 PolarHBondContact O-N 3.26Å; T154-V156 VanDerWaalsContact O-N 3.11Å; T154-V156 PolarHBondContact OG1-O 3.24Å; T154-V156 VanDerWaalsContact OG1-O 3.11Å; T154-T158 WeakPolarHBondContact CB-OG1 3.41Å; T154-T158 HydrophobicContact CG2-CG2 4.4Å; T154-T158 PolarHBondContact OG1-OG1 2.84Å
155Y88.4Confident88.3Confident113 Ų11356 Ų5644%0.44328%0.284SS..SBendtrans57.313.7-175.9-47.7-79.3000115.8M48 P97 E153M48-Y155 HydrophobicContact CE-CD2 3.4Å; M48-Y155 VanDerWaalsContact CE-CD2 3.4Å; M48-Y155 HydrophobicContact CE-CE2 3.66Å; M48-Y155 HydrophobicContact CE-CG 4.17Å; M48-Y155 HydrophobicContact SD-CD2 4.46Å; P97-Y155 HydrophobicContact CB-CD1 3.63Å; P97-Y155 HydrophobicContact CB-CD2 3.96Å; P97-Y155 HydrophobicContact CB-CE1 4.24Å; P97-Y155 HydrophobicContact CB-CG 3.45Å; P97-Y155 VanDerWaalsContact CB-CG 3.45Å; P97-Y155 HydrophobicContact CG-CD1 3.89Å; P97-Y155 HydrophobicContact CG-CE1 4.03Å; P97-Y155 HydrophobicContact CG-CG 4.16Å; E153-Y155 HydrophobicContact CB-CD1 4.29Å; E153-Y155 HydrophobicContact CB-CE1 3.93Å; E153-Y155 HydrophobicContact CB-CE2 4.23Å; E153-Y155 WeakPolarHBondContact O-CD2 3.42Å; E153-Y155 WeakPolarHBondContact O-CE2 3.15Å; E153-Y155 WeakPolarHBondContact OE2-CE1 3.12Å
156V86.9Confident88.2Confident29 Ų2956.9 Ų56.918%0.17628%0.284CS..SBendtrans-143.3152.7172.6-68.40000109.6V45 T154 T158 N202 F204V45-V156 HydrophobicContact CG1-CG1 4.33Å; T154-V156 PolarHBondContact O-N 3.26Å; T154-V156 VanDerWaalsContact O-N 3.11Å; T154-V156 PolarHBondContact OG1-O 3.24Å; T154-V156 VanDerWaalsContact OG1-O 3.11Å; V156-T158 PolarHBondContact O-N 3.01Å; V156-T158 PolarHBondContact O-OG1 3Å; V156-N202 HydrophobicContact CG2-CB 4.29Å; V156-F204 HydrophobicContact CG1-CE2 4.14Å; V156-F204 HydrophobicContact CG2-CD2 4.07Å; V156-F204 HydrophobicContact CG2-CE2 3.94Å
157D87Confident87.7Confident134 Ų13464 Ų6472%0.71732%0.316SS*.  trans-51.7125.2-177.8-50.8-35.4000111.1F159 N202D157-F159 HydrophobicContact CB-CE2 4.43Å; D157-F159 HydrophobicContact CB-CZ 4.4Å; D157-N202 VanDerWaalsContact O-CB 3.23Å; D157-N202 WeakPolarHBondContact O-CB 3.45Å
158T88Confident86.9Confident17 Ų1768.6 Ų68.610%0.10434%0.335CS..  trans-136.8111.4-168.1-61.90000109.1P127 T154 V156 Y160 N202P127-T158 HydrophobicContact CB-CG2 4.03Å; T154-T158 WeakPolarHBondContact CB-OG1 3.41Å; T154-T158 HydrophobicContact CG2-CG2 4.4Å; T154-T158 PolarHBondContact OG1-OG1 2.84Å; V156-T158 PolarHBondContact O-N 3.01Å; V156-T158 PolarHBondContact O-OG1 3Å; T158-Y160 HydrophobicContact CG2-CE2 4.28Å; T158-Y160 WeakPolarHBondContact O-CD2 3.42Å; T158-Y160 VanDerWaalsContact O-CE2 3.28Å; T158-Y160 WeakPolarHBondContact O-CE2 3.39Å; T158-N202 HydrophobicContact CG2-CB 4.37Å; T158-N202 PolarHBondContact OG1-ND2 2.96Å; T158-N202 VanDerWaalsContact OG1-ND2 3.12Å
159F88.1Confident86.4Confident67 Ų6774.4 Ų74.429%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-93.4147.7-172.3-58.3-80.1000111.2D157 D177 A200 Y201D157-F159 HydrophobicContact CB-CE2 4.43Å; D157-F159 HydrophobicContact CB-CZ 4.4Å; F159-D177 HydrophobicContact CD1-CB 4.25Å; F159-D177 HydrophobicContact CE1-CB 4.34Å; F159-A200 CarbonylContact O-C 3.51Å; F159-A200 WeakPolarHBondContact O-CA 3.3Å; F159-Y201 HydrophobicContact CB-CD1 4.34Å; F159-Y201 HydrophobicContact CB-CD2 4.36Å; F159-Y201 HydrophobicContact CB-CE1 3.8Å; F159-Y201 HydrophobicContact CB-CE2 3.81Å; F159-Y201 HydrophobicContact CD2-CD2 4.49Å; F159-Y201 HydrophobicContact CD2-CE2 4Å; F159-Y201 HydrophobicContact CG-CE2 4.24Å; F159-Y201 PolarHBondContact N-O 3.35Å; F159-Y201 PolarHBondContact O-N 2.66Å
160Y88.2Confident86Confident20 Ų2073.3 Ų73.38%0.07836%0.358CS..EExtended strand (participates in β ladder)trans-118.2112.2-179-64.5-92.1000110.2R150 T158 L176 V198 A200R150-Y160 WeakPolarHBondContact CD-OH 3.45Å; R150-Y160 HydrophobicContact CG-CE1 4.21Å; R150-Y160 WeakPolarHBondContact CG-OH 3.35Å; T158-Y160 HydrophobicContact CG2-CE2 4.28Å; T158-Y160 WeakPolarHBondContact O-CD2 3.42Å; T158-Y160 VanDerWaalsContact O-CE2 3.28Å; T158-Y160 WeakPolarHBondContact O-CE2 3.39Å; Y160-L176 PolarHBondContact N-O 3.13Å; Y160-L176 VanDerWaalsContact N-O 3.09Å; Y160-L176 PolarHBondContact O-N 2.89Å; Y160-V198 HydrophobicContact CD1-CG1 4.08Å; Y160-A200 HydrophobicContact CD1-CB 3.65Å; Y160-A200 HydrophobicContact CE1-CB 3.5Å
161N89.6Confident85.9Confident47 Ų4772.3 Ų72.325%0.25136%0.361SS..EExtended strand (participates in β ladder)trans-91.4113.4171-176.5-8.7000109.8L174 V198 S199 Y201N161-L174 CarbonylContact C-O 3.57Å; N161-L174 WeakPolarHBondContact CA-O 3.47Å; N161-L174 PolarHBondContact OD1-O 2.89Å; N161-V198 CarbonylContact O-C 3.53Å; N161-V198 WeakPolarHBondContact O-CA 3.42Å; N161-S199 PolarHBondContact N-O 3.39Å; N161-S199 PolarHBondContact O-N 2.9Å; N161-Y201 HydrophobicContact CB-CE1 4.18Å
162V89.5Confident85.8Confident1 Ų171.4 Ų71.41%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-98.2116.1177-175.50000109.1D173 L174 L176 I181 L196 V198V162-D173 WeakPolarHBondContact O-CA 3.26Å; V162-L174 PolarHBondContact N-O 3.1Å; V162-L174 PolarHBondContact O-N 3.01Å; V162-L176 HydrophobicContact CG2-CD1 3.83Å; V162-I181 HydrophobicContact CB-CG2 4.42Å; V162-I181 HydrophobicContact CG1-CG2 3.93Å; V162-I181 HydrophobicContact CG2-CD1 3.72Å; V162-I181 HydrophobicContact CG2-CG1 3.98Å; V162-I181 HydrophobicContact CG2-CG2 3.99Å; V162-L196 HydrophobicContact CG1-CD1 4.38Å; V162-L196 HydrophobicContact CG1-CD2 4.17Å; V162-L196 HydrophobicContact CG1-CG 4.12Å; V162-V198 HydrophobicContact CG2-CG1 4.35Å; V162-V198 HydrophobicContact CG2-CG2 4.3Å
163S89.2Confident85.3Confident8 Ų868.4 Ų68.46%0.05634%0.339CS..EExtended strand (participates in β ladder)trans-117.1125.4-177.454.40000110.3H165 L172 D173 L196 T197S163-H165 PolarHBondContact OG-CE1 2.99Å; S163-L172 WeakPolarHBondContact CA-O 3.39Å; S163-D173 WeakPolarHBondContact CA-OD1 3.44Å; S163-D173 WeakPolarHBondContact CB-OD1 3.16Å; S163-L196 WeakPolarHBondContact O-CA 3.31Å; S163-T197 PolarHBondContact N-O 3.46Å; S163-T197 PolarHBondContact O-N 2.77Å; S163-T197 PolarHBondContact O-OG1 2.86Å; S163-T197 PolarHBondContact OG-O 2.85Å; S163-T197 PolarHBondContact OG-OG1 2.89Å
164V89.8Confident85Confident0 Ų064.2 Ų64.20%032%0.321CS..EExtended strand (participates in β ladder)trans-115119.5-177.5-173.90000109.4V171 L172 I183 Y194 L196V164-V171 PolarHBondContact O-N 2.83Å; V164-L172 HydrophobicContact CB-CB 4.28Å; V164-L172 HydrophobicContact CG2-CB 4.45Å; V164-L172 HydrophobicContact CG2-CD2 4.45Å; V164-L172 PolarHBondContact N-O 3.47Å; V164-L172 PolarHBondContact O-N 3.29Å; V164-I183 HydrophobicContact CG2-CD1 3.87Å; V164-I183 HydrophobicContact CG2-CG1 4.49Å; V164-Y194 HydrophobicContact CG1-CD1 4.05Å; V164-L196 HydrophobicContact CG2-CG 4.34Å
165H88.6Confident84.4Confident54 Ų5468.8 Ų68.825%0.2534%0.344CS..EExtended strand (participates in β ladder)trans-112.8142.3-173.4-59.281.7000112.5S163 K169 Y194 T195 T197S163-H165 PolarHBondContact OG-CE1 2.99Å; H165-K169 CarbonylContact C-O 3.44Å; H165-K169 WeakPolarHBondContact CA-O 3.24Å; H165-Y194 CarbonylContact O-C 3.55Å; H165-Y194 WeakPolarHBondContact O-CA 3.47Å; H165-T195 PolarHBondContact N-O 3.18Å; H165-T195 PolarHBondContact O-N 3.04Å; H165-T197 PolarHBondContact CE1-OG1 3.06Å
166R87.8Confident83.9Confident71 Ų7165.3 Ų65.327%0.26833%0.333SS..EExtended strand (participates in β ladder)trans-122.3122165.4177.3-168.9-177.8155.314.7107.9N168 K169 V171 E189 T192 Y194R166-N168 PolarHBondContact O-N 2.9Å; R166-N168 VanDerWaalsContact O-N 3.13Å; R166-K169 PolarHBondContact N-O 2.82Å; R166-K169 PolarHBondContact O-N 2.9Å; R166-V171 HydrophobicContact CB-CG2 3.71Å; R166-E189 IonicContact CZ-OE1 3.56Å; R166-E189 IonicContact CZ-OE2 3.23Å; R166-E189 VanDerWaalsContact CZ-OE2 3.23Å; R166-E189 IonicContact NH1-OE1 2.7Å; R166-E189 PolarHBondContact NH1-OE1 3.41Å; R166-E189 IonicContact NH1-OE2 3.13Å; R166-E189 PolarHBondContact NH1-OE2 2.9Å; R166-E189 VanDerWaalsContact NH1-OE2 3.13Å; R166-E189 IonicContact NH2-OE1 3.53Å; R166-E189 IonicContact NH2-OE2 2.71Å; R166-E189 PolarHBondContact NH2-OE2 3Å; R166-T192 HydrophobicContact CG-CG2 3.93Å; R166-T192 PolarHBondContact NH2-OG1 3.22Å; R166-Y194 HydrophobicContact CB-CD1 4.19Å; R166-Y194 HydrophobicContact CB-CE1 4.11Å
167E79.8Confident82.6Confident157 Ų15770 Ų7073%0.73436%0.357SS*.THydrogen-bonded Turntrans48.345.9174.3-62.9171.5-176.300113K169E167-K169 VanDerWaalsContact C-N 3.27Å; E167-K169 PolarHBondContact O-N 2.76Å
168N72.9Confident81.5Confident163 Ų16365.5 Ų65.587%0.87234%0.342SS*.THydrogen-bonded Turntrans66.38.7-177.9-51.9-28.5000116.8R166R166-N168 PolarHBondContact O-N 2.9Å; R166-N168 VanDerWaalsContact O-N 3.13Å
169K79.1Confident80.1Confident156 Ų15672.1 Ų72.168%0.67837%0.372SS*.EExtended strand (participates in β ladder)trans-97.2134.2165.9-60.7173.9-176.5171.20109.2H165 R166 E167H165-K169 CarbonylContact C-O 3.44Å; H165-K169 WeakPolarHBondContact CA-O 3.24Å; R166-K169 PolarHBondContact N-O 2.82Å; R166-K169 PolarHBondContact O-N 2.9Å; E167-K169 VanDerWaalsContact C-N 3.27Å; E167-K169 PolarHBondContact O-N 2.76Å
170S80.3Confident79.2Confident62 Ų6275.9 Ų75.943%0.43439%0.39SS..EExtended strand (participates in β ladder)trans-71138.716568.20000109.5D173S170-D173 WeakPolarHBondContact CB-OD2 3.37Å; S170-D173 PolarHBondContact OG-OD2 3.25Å
171V81.6Confident79Confident64 Ų6475.4 Ų75.439%0.38839%0.389SS..EExtended strand (participates in β ladder)trans-111.7-26.5-179.8-177.50000110V164 R166 I187V164-V171 PolarHBondContact O-N 2.83Å; R166-V171 HydrophobicContact CB-CG2 3.71Å; V171-I187 HydrophobicContact CG1-CB 4.18Å; V171-I187 HydrophobicContact CG1-CD1 4.31Å; V171-I187 HydrophobicContact CG1-CG1 4.32Å
172L83.1Confident78.9Confident34 Ų3475.2 Ų75.218%0.17839%0.391CS..EExtended strand (participates in β ladder)trans-152.7133176.3177.769.1000108.9S163 V164 L174 I183 I187S163-L172 WeakPolarHBondContact CA-O 3.39Å; V164-L172 HydrophobicContact CB-CB 4.28Å; V164-L172 HydrophobicContact CG2-CB 4.45Å; V164-L172 HydrophobicContact CG2-CD2 4.45Å; V164-L172 PolarHBondContact N-O 3.47Å; V164-L172 PolarHBondContact O-N 3.29Å; L172-L174 HydrophobicContact CD1-CD1 4.35Å; L172-L174 HydrophobicContact CD1-CD2 4Å; L172-L174 HydrophobicContact CD1-CG 3.85Å; L172-L174 HydrophobicContact CD2-CD1 3.84Å; L172-L174 HydrophobicContact CD2-CG 4.08Å; L172-L174 HydrophobicContact CG-CD1 4.24Å; L172-L174 HydrophobicContact CG-CG 3.9Å; L172-I183 HydrophobicContact CD2-CB 4.35Å; L172-I183 HydrophobicContact CD2-CG1 4.13Å; L172-I183 HydrophobicContact CD2-CG2 3.84Å; L172-I187 HydrophobicContact CB-CD1 3.69Å; L172-I187 HydrophobicContact CD2-CD1 3.79Å; L172-I187 HydrophobicContact CG-CD1 4.26Å
173D78.8Confident78.8Confident85 Ų8575.1 Ų75.146%0.45539%0.391SS..EExtended strand (participates in β ladder)trans-128.5119.2169.8-66.8-62.8000107.3V162 S163 S170V162-D173 WeakPolarHBondContact O-CA 3.26Å; S163-D173 WeakPolarHBondContact CA-OD1 3.44Å; S163-D173 WeakPolarHBondContact CB-OD1 3.16Å; S170-D173 WeakPolarHBondContact CB-OD2 3.37Å; S170-D173 PolarHBondContact OG-OD2 3.25Å
174L80.7Confident78.8Confident50 Ų5077.6 Ų77.626%0.26241%0.406SS..EExtended strand (participates in β ladder)trans-123.9125.7-177.5-72.6177.8000110.7N161 V162 L172 L176N161-L174 CarbonylContact C-O 3.57Å; N161-L174 WeakPolarHBondContact CA-O 3.47Å; N161-L174 PolarHBondContact OD1-O 2.89Å; V162-L174 PolarHBondContact N-O 3.1Å; V162-L174 PolarHBondContact O-N 3.01Å; L172-L174 HydrophobicContact CD1-CD1 4.35Å; L172-L174 HydrophobicContact CD1-CD2 4Å; L172-L174 HydrophobicContact CD1-CG 3.85Å; L172-L174 HydrophobicContact CD2-CD1 3.84Å; L172-L174 HydrophobicContact CD2-CG 4.08Å; L172-L174 HydrophobicContact CG-CD1 4.24Å; L172-L174 HydrophobicContact CG-CG 3.9Å; L174-L176 HydrophobicContact CB-CG 4.47Å
175I75.9Confident78.7Confident112 Ų11280 Ų8057%0.57442%0.416SS*.EExtended strand (participates in β ladder)trans-90.8123.2166.8-58.1175000107.7
176L76.4Confident78.4Confident40 Ų4081.4 Ų81.421%0.20944%0.444CS..EExtended strand (participates in β ladder)trans-118.9138.2-178.6-65.4172.8000111.2Y160 V162 L174 I181Y160-L176 PolarHBondContact N-O 3.13Å; Y160-L176 VanDerWaalsContact N-O 3.09Å; Y160-L176 PolarHBondContact O-N 2.89Å; V162-L176 HydrophobicContact CG2-CD1 3.83Å; L174-L176 HydrophobicContact CB-CG 4.47Å; L176-I181 HydrophobicContact CD1-CB 4.12Å; L176-I181 HydrophobicContact CD1-CG1 3.75Å; L176-I181 HydrophobicContact CD1-CG2 4.16Å
177D61.3Low78.2Confident129 Ų12980.5 Ų80.569%0.6945%0.445SS*.SBendtrans-123.264.5177-161.912.7000107.5F159F159-D177 HydrophobicContact CD1-CB 4.25Å; F159-D177 HydrophobicContact CE1-CB 4.34Å
178G62.3Low78.5Confident39 Ų3973.5 Ų73.540%0.40241%0.412SS..SBendtrans176.9177.1-16500000113.9R150R150-G178 VanDerWaalsContact NH2-C 3.27Å; R150-G178 PolarHBondContact NH2-O 2.81Å
179E59.6Low79Confident155 Ų15570.1 Ų70.172%0.72439%0.391SS*.SBendtrans-95-30.6-171.7-77.3-176.9166.600115.3R150R150-E179 VanDerWaalsContact CZ-CG 3.5Å; R150-E179 IonicContact CZ-OE1 3.13Å; R150-E179 VanDerWaalsContact NH1-CG 3.31Å; R150-E179 IonicContact NH1-OE1 2.76Å; R150-E179 PolarHBondContact NH1-OE1 2.91Å; R150-E179 VanDerWaalsContact NH2-CG 3.27Å
180E69.9Low78.9Confident147 Ų14768.5 Ų68.569%0.68739%0.386SS*.  trans-100.8128.1-176.5-62.4-164.5137.800112
181I83Confident78.8Confident9 Ų972.7 Ų72.75%0.04640%0.403CS..EExtended strand (participates in β ladder)trans-94.8114.4172.8-56.9171.6000108N145 C146 L148 V162 L176 I183 V198N145-I181 CarbonylContact C-O 3.6Å; N145-I181 WeakPolarHBondContact CA-O 3.45Å; C146-I181 HydrophobicContact CB-CB 4.05Å; C146-I181 HydrophobicContact CB-CG2 4.19Å; C146-I181 PolarHBondContact N-O 3.36Å; C146-I181 WeakPolarHBondContact O-CB 3.47Å; C146-I181 PolarHBondContact O-N 2.89Å; L148-I181 HydrophobicContact CD2-CD1 3.7Å; L148-I181 HydrophobicContact CG-CD1 4.39Å; V162-I181 HydrophobicContact CB-CG2 4.42Å; V162-I181 HydrophobicContact CG1-CG2 3.93Å; V162-I181 HydrophobicContact CG2-CD1 3.72Å; V162-I181 HydrophobicContact CG2-CG1 3.98Å; V162-I181 HydrophobicContact CG2-CG2 3.99Å; L176-I181 HydrophobicContact CD1-CB 4.12Å; L176-I181 HydrophobicContact CD1-CG1 3.75Å; L176-I181 HydrophobicContact CD1-CG2 4.16Å; I181-I183 HydrophobicContact CG2-CD1 4.26Å; I181-I183 HydrophobicContact CG2-CG1 4.18Å; I181-V198 HydrophobicContact CD1-CG2 4.42Å
182S86.9Confident79Confident43 Ų4370.7 Ų70.730%0.30139%0.391SS..EExtended strand (participates in β ladder)trans-113118.5174.5-67.30000110.8
183I88.7Confident79.2Confident0 Ų076.2 Ų76.20%041%0.414CS..EExtended strand (participates in β ladder)trans-108.5126.5180-66.6163.8000108.9V144 V164 L172 I181 R185 I187 I188 L196V144-I183 HydrophobicContact CB-CB 4.31Å; V144-I183 PolarHBondContact N-O 2.87Å; V144-I183 PolarHBondContact O-N 3.38Å; V164-I183 HydrophobicContact CG2-CD1 3.87Å; V164-I183 HydrophobicContact CG2-CG1 4.49Å; L172-I183 HydrophobicContact CD2-CB 4.35Å; L172-I183 HydrophobicContact CD2-CG1 4.13Å; L172-I183 HydrophobicContact CD2-CG2 3.84Å; I181-I183 HydrophobicContact CG2-CD1 4.26Å; I181-I183 HydrophobicContact CG2-CG1 4.18Å; I183-R185 PolarHBondContact O-N 2.83Å; I183-I187 HydrophobicContact CG2-CD1 4.11Å; I183-I188 HydrophobicContact CG2-CD1 3.89Å; I183-L196 HydrophobicContact CD1-CD1 3.63Å
184P89Confident79.8Confident59 Ų5972.2 Ų72.238%0.38339%0.393SS..EExtended strand (participates in β ladder)trans-60.8118.3176.4-24.134.7000111.8G186 I187P184-G186 PolarHBondContact O-N 2.91Å; P184-I187 WeakPolarHBondContact O-CG1 3.49Å; P184-I187 PolarHBondContact O-N 2.86Å
185R86.6Confident80.2Confident51 Ų5172 Ų7219%0.19239%0.393CS..G310 helixtrans-61.5-28.4-176.4-176.7-178.6164.1-161.2-5.7112.7T138 R139 S141 D142 V144 I183 I187 I188 L216T138-R185 PolarHBondContact O-NH1 2.81Å; R139-R185 PolarHBondContact O-NH1 3.13Å; S141-R185 WeakPolarHBondContact O-CD 3.45Å; S141-R185 PolarHBondContact O-NH1 3.16Å; D142-R185 WeakPolarHBondContact O-CB 3.42Å; D142-R185 PolarHBondContact O-N 3.15Å; V144-R185 HydrophobicContact CG2-CB 4.28Å; V144-R185 HydrophobicContact CG2-CG 4.41Å; I183-R185 PolarHBondContact O-N 2.83Å; R185-I187 PolarHBondContact O-N 2.85Å; R185-I188 PolarHBondContact O-N 2.83Å; R185-L216 HydrophobicContact CG-CD1 4.35Å; R185-L216 HydrophobicContact CG-CD2 4.36Å
186G82.6Confident80.9Confident83 Ų8366.7 Ų66.786%0.85637%0.366SS*.G310 helixtrans-60.8-11.6-179.900000116.1P184P184-G186 PolarHBondContact O-N 2.91Å
187I84.9Confident81.6Confident53 Ų5365.4 Ų65.427%0.27236%0.36SS..G310 helixtrans-93.9-4.5173.779.9-170000113.1V171 L172 I183 P184 R185 Y194V171-I187 HydrophobicContact CG1-CB 4.18Å; V171-I187 HydrophobicContact CG1-CD1 4.31Å; V171-I187 HydrophobicContact CG1-CG1 4.32Å; L172-I187 HydrophobicContact CB-CD1 3.69Å; L172-I187 HydrophobicContact CD2-CD1 3.79Å; L172-I187 HydrophobicContact CG-CD1 4.26Å; I183-I187 HydrophobicContact CG2-CD1 4.11Å; P184-I187 WeakPolarHBondContact O-CG1 3.49Å; P184-I187 PolarHBondContact O-N 2.86Å; R185-I187 PolarHBondContact O-N 2.85Å; I187-Y194 PolarHBondContact O-OH 3.28Å
188I85.1Confident83Confident10 Ų1059.3 Ų59.35%0.05133%0.327CS..  trans-110.5106.4-172.8-58.3171000109.5V144 I183 R185 Y194 F214 L216V144-I188 HydrophobicContact CB-CD1 4.48Å; V144-I188 HydrophobicContact CG2-CD1 3.84Å; I183-I188 HydrophobicContact CG2-CD1 3.89Å; R185-I188 PolarHBondContact O-N 2.83Å; I188-Y194 WeakPolarHBondContact CA-OH 3.23Å; I188-Y194 HydrophobicContact CB-CE2 4.27Å; I188-Y194 HydrophobicContact CG2-CD2 3.92Å; I188-Y194 HydrophobicContact CG2-CE2 3.72Å; I188-F214 HydrophobicContact CD1-CE2 4.17Å; I188-F214 HydrophobicContact CD1-CZ 4.21Å; I188-F214 HydrophobicContact CG2-CE2 4.48Å; I188-L216 HydrophobicContact CG2-CB 3.99Å; I188-L216 HydrophobicContact CG2-CD1 4.42Å; I188-L216 HydrophobicContact CG2-CD2 4.49Å
189E83.9Confident84.4Confident91 Ų9158.3 Ų58.343%0.42531%0.314SS..  trans-75.8143.2175.1-64.7165.5-171.800111.6R166 N191 T192 Y194R166-E189 IonicContact CZ-OE1 3.56Å; R166-E189 IonicContact CZ-OE2 3.23Å; R166-E189 VanDerWaalsContact CZ-OE2 3.23Å; R166-E189 IonicContact NH1-OE1 2.7Å; R166-E189 PolarHBondContact NH1-OE1 3.41Å; R166-E189 IonicContact NH1-OE2 3.13Å; R166-E189 PolarHBondContact NH1-OE2 2.9Å; R166-E189 VanDerWaalsContact NH1-OE2 3.13Å; R166-E189 IonicContact NH2-OE1 3.53Å; R166-E189 IonicContact NH2-OE2 2.71Å; R166-E189 PolarHBondContact NH2-OE2 3Å; E189-N191 PolarHBondContact O-N 3.24Å; E189-T192 PolarHBondContact O-N 3.45Å; E189-T192 PolarHBondContact OE2-OG1 3.14Å; E189-Y194 PolarHBondContact N-OH 2.92Å
190E75.9Confident85.9Confident123 Ų12351 Ų5158%0.57528%0.28SS*.THydrogen-bonded Turntrans-56.8-41.2-169.5-72-169.6141.900115.1L216E190-L216 HydrophobicContact CG-CD2 4.08Å
191N77.9Confident86.9Confident150 Ų15048 Ų4880%0.80226%0.263SS*.THydrogen-bonded Turntrans-103.53.4-174.5-66.8-55.1000113.8E189E189-N191 PolarHBondContact O-N 3.24Å
192T85.6Confident87.2Confident22 Ų2248.4 Ų48.414%0.13527%0.265CS..  trans-91.8141.5-178.8-67.50000110.1R166 E189 Y194R166-T192 HydrophobicContact CG-CG2 3.93Å; R166-T192 PolarHBondContact NH2-OG1 3.22Å; E189-T192 PolarHBondContact O-N 3.45Å; E189-T192 PolarHBondContact OE2-OG1 3.14Å; T192-Y194 HydrophobicContact CG2-CD2 4.14Å; T192-Y194 HydrophobicContact CG2-CE2 3.51Å; T192-Y194 WeakPolarHBondContact O-CD2 3.18Å
193K89.1Confident87.2Confident149 Ų14952.8 Ų52.865%0.64829%0.285SS*.  trans-91.6132.3175-68.3-173.8179.9-177.90110.8F214K193-F214 WeakPolarHBondContact CA-O 3.06Å
194Y89.8Confident87.2Confident2 Ų255.4 Ų55.41%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-118.8147.2178.3-66-98.5000110.1V164 H165 R166 I187 I188 E189 T192 V213 F214V164-Y194 HydrophobicContact CG1-CD1 4.05Å; H165-Y194 CarbonylContact O-C 3.55Å; H165-Y194 WeakPolarHBondContact O-CA 3.47Å; R166-Y194 HydrophobicContact CB-CD1 4.19Å; R166-Y194 HydrophobicContact CB-CE1 4.11Å; I187-Y194 PolarHBondContact O-OH 3.28Å; I188-Y194 WeakPolarHBondContact CA-OH 3.23Å; I188-Y194 HydrophobicContact CB-CE2 4.27Å; I188-Y194 HydrophobicContact CG2-CD2 3.92Å; I188-Y194 HydrophobicContact CG2-CE2 3.72Å; E189-Y194 PolarHBondContact N-OH 2.92Å; T192-Y194 HydrophobicContact CG2-CD2 4.14Å; T192-Y194 HydrophobicContact CG2-CE2 3.51Å; T192-Y194 WeakPolarHBondContact O-CD2 3.18Å; Y194-V213 WeakPolarHBondContact O-CA 3.33Å; Y194-F214 PolarHBondContact N-O 2.78Å; Y194-F214 PolarHBondContact O-N 3.04Å
195T90.8Very high87.2Confident46 Ų4654 Ų5428%0.28229%0.293SS..EExtended strand (participates in β ladder)trans-117.2109.8178-57.50000109.2H165 P211 F212 V213H165-T195 PolarHBondContact N-O 3.18Å; H165-T195 PolarHBondContact O-N 3.04Å; T195-P211 HydrophobicContact CG2-CB 3.52Å; T195-F212 WeakPolarHBondContact CA-O 3.47Å; T195-V213 HydrophobicContact CG2-CG2 4.23Å
196L90.4Very high87.5Confident0 Ų055.7 Ų55.70%032%0.317CS..EExtended strand (participates in β ladder)trans-92.6128.6176.1-173.9167000109.5I133 V162 S163 V164 I183 V198 F212 F214I133-L196 HydrophobicContact CD1-CD2 4.13Å; I133-L196 HydrophobicContact CG2-CD2 4.22Å; V162-L196 HydrophobicContact CG1-CD1 4.38Å; V162-L196 HydrophobicContact CG1-CD2 4.17Å; V162-L196 HydrophobicContact CG1-CG 4.12Å; S163-L196 WeakPolarHBondContact O-CA 3.31Å; V164-L196 HydrophobicContact CG2-CG 4.34Å; I183-L196 HydrophobicContact CD1-CD1 3.63Å; L196-V198 HydrophobicContact CD2-CG2 3.55Å; L196-F212 HydrophobicContact CB-CB 4.41Å; L196-F212 HydrophobicContact CB-CD1 4.34Å; L196-F212 PolarHBondContact N-O 2.96Å; L196-F212 PolarHBondContact O-N 2.87Å; L196-F214 HydrophobicContact CB-CE1 4.11Å
197T91.3Very high88Confident13 Ų1352.7 Ų52.78%0.0828%0.283CS..EExtended strand (participates in β ladder)trans-129.3126.9175.135.20000110.5S163 H165 P211S163-T197 PolarHBondContact N-O 3.46Å; S163-T197 PolarHBondContact O-N 2.77Å; S163-T197 PolarHBondContact O-OG1 2.86Å; S163-T197 PolarHBondContact OG-O 2.85Å; S163-T197 PolarHBondContact OG-OG1 2.89Å; H165-T197 PolarHBondContact CE1-OG1 3.06Å; T197-P211 HydrophobicContact CG2-CB 3.93Å; T197-P211 HydrophobicContact CG2-CG 4.22Å
198V90.6Very high88.4Confident0 Ų057.7 Ų57.70%030%0.299CS..EExtended strand (participates in β ladder)trans-104.6127.1176.9-171.60000108.9P130 I133 L148 Y160 N161 V162 I181 L196 R208 S209P130-V198 HydrophobicContact CG-CG1 4.5Å; I133-V198 HydrophobicContact CD1-CG2 3.91Å; L148-V198 HydrophobicContact CD2-CB 4.11Å; L148-V198 HydrophobicContact CD2-CG1 3.75Å; L148-V198 HydrophobicContact CD2-CG2 3.8Å; Y160-V198 HydrophobicContact CD1-CG1 4.08Å; N161-V198 CarbonylContact O-C 3.53Å; N161-V198 WeakPolarHBondContact O-CA 3.42Å; V162-V198 HydrophobicContact CG2-CG1 4.35Å; V162-V198 HydrophobicContact CG2-CG2 4.3Å; I181-V198 HydrophobicContact CD1-CG2 4.42Å; L196-V198 HydrophobicContact CD2-CG2 3.55Å; V198-R208 WeakPolarHBondContact O-CA 3.39Å; V198-S209 PolarHBondContact N-OG 2.84Å; V198-S209 PolarHBondContact O-N 2.93Å
199S90.4Very high88.7Confident18 Ų1857.6 Ų57.613%0.12630%0.299CS..EExtended strand (participates in β ladder)trans-111.8116.2171.1-510000109.1N161 S207 R208N161-S199 PolarHBondContact N-O 3.39Å; N161-S199 PolarHBondContact O-N 2.9Å; S199-S207 CarbonylContact C-O 3.52Å; S199-S207 VanDerWaalsContact CA-O 3.25Å; S199-S207 WeakPolarHBondContact CA-O 3.47Å; S199-R208 PolarHBondContact OG-NE 3.36Å; S199-R208 PolarHBondContact OG-NH2 2.86Å
200A91.2Very high89.1Confident1 Ų158.2 Ų58.21%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-94.1139.7175.800000109.6P127 P130 F159 Y160 A206 S207P127-A200 HydrophobicContact CB-CB 3.91Å; P127-A200 HydrophobicContact CG-CB 4.24Å; P130-A200 HydrophobicContact CG-CB 3.84Å; F159-A200 CarbonylContact O-C 3.51Å; F159-A200 WeakPolarHBondContact O-CA 3.3Å; Y160-A200 HydrophobicContact CD1-CB 3.65Å; Y160-A200 HydrophobicContact CE1-CB 3.5Å; A200-A206 CarbonylContact O-C 3.57Å; A200-A206 VanDerWaalsContact O-CA 3.29Å; A200-A206 WeakPolarHBondContact O-CA 3.48Å; A200-S207 PolarHBondContact N-O 2.84Å; A200-S207 PolarHBondContact O-N 2.94Å
201Y91.1Very high89.8Confident84 Ų8456.2 Ų56.233%0.32930%0.303SS..EExtended strand (participates in β ladder)trans-148.7145.4-179.564.1-84.9000113.2F159 N161 G205F159-Y201 HydrophobicContact CB-CD1 4.34Å; F159-Y201 HydrophobicContact CB-CD2 4.36Å; F159-Y201 HydrophobicContact CB-CE1 3.8Å; F159-Y201 HydrophobicContact CB-CE2 3.81Å; F159-Y201 HydrophobicContact CD2-CD2 4.49Å; F159-Y201 HydrophobicContact CD2-CE2 4Å; F159-Y201 HydrophobicContact CG-CE2 4.24Å; F159-Y201 PolarHBondContact N-O 3.35Å; F159-Y201 PolarHBondContact O-N 2.66Å; N161-Y201 HydrophobicContact CB-CE1 4.18Å; Y201-G205 WeakPolarHBondContact CA-O 3.42Å
202N89.6Confident90.4Very high19 Ų1951.4 Ų51.410%0.10228%0.275CS..EExtended strand (participates in β ladder)trans-145.1-173.3170.470.825.4000110.5L125 V156 D157 T158 F204 G205L125-N202 PolarHBondContact O-ND2 3.45Å; V156-N202 HydrophobicContact CG2-CB 4.29Å; D157-N202 VanDerWaalsContact O-CB 3.23Å; D157-N202 WeakPolarHBondContact O-CB 3.45Å; T158-N202 HydrophobicContact CG2-CB 4.37Å; T158-N202 PolarHBondContact OG1-ND2 2.96Å; T158-N202 VanDerWaalsContact OG1-ND2 3.12Å; N202-F204 PolarHBondContact O-N 3.44Å; N202-F204 VanDerWaalsContact O-N 3.09Å; N202-F204 PolarHBondContact OD1-N 3.47Å; N202-G205 PolarHBondContact N-O 3.31Å; N202-G205 PolarHBondContact O-N 3.48Å; N202-G205 PolarHBondContact OD1-N 3.08Å
203L86.9Confident90.6Very high134 Ų13454.5 Ų54.570%0.70229%0.294SS*.THydrogen-bonded Turntrans-56.4-25.6-177.6-173.662.6000114.3V45V45-L203 HydrophobicContact CB-CD2 4.33Å; V45-L203 HydrophobicContact CG1-CD2 3.81Å
204F88.8Confident90.6Very high55 Ų5547.7 Ų47.724%0.24126%0.264CS..THydrogen-bonded Turntrans-99.5-10-175-56.2-60.4000114.4V45 L46 L47 P126 V156 N202V45-F204 HydrophobicContact CG1-CE2 4.48Å; V45-F204 HydrophobicContact CG1-CZ 3.91Å; L46-F204 VanDerWaalsContact C-CE1 3.5Å; L46-F204 WeakPolarHBondContact O-CZ 3.35Å; L47-F204 HydrophobicContact CB-CD1 4.18Å; L47-F204 HydrophobicContact CB-CE1 4.24Å; L47-F204 HydrophobicContact CD1-CB 4.4Å; L47-F204 HydrophobicContact CD1-CG 4.3Å; P126-F204 HydrophobicContact CB-CB 4.22Å; V156-F204 HydrophobicContact CG1-CE2 4.14Å; V156-F204 HydrophobicContact CG2-CD2 4.07Å; V156-F204 HydrophobicContact CG2-CE2 3.94Å; N202-F204 PolarHBondContact O-N 3.44Å; N202-F204 VanDerWaalsContact O-N 3.09Å; N202-F204 PolarHBondContact OD1-N 3.47Å
205G89.4Confident90.5Very high30 Ų3048.2 Ų48.231%0.30927%0.268SS..EExtended strand (participates in β ladder)trans162.7-179177.700000114.9Y201 N202Y201-G205 WeakPolarHBondContact CA-O 3.42Å; N202-G205 PolarHBondContact N-O 3.31Å; N202-G205 PolarHBondContact O-N 3.48Å; N202-G205 PolarHBondContact OD1-N 3.08Å
206A92.1Very high90.2Very high86 Ų8646.3 Ų46.371%0.71126%0.256SS*.EExtended strand (participates in β ladder)trans-132.6141.7178.500000110.8A200A200-A206 CarbonylContact O-C 3.57Å; A200-A206 VanDerWaalsContact O-CA 3.29Å; A200-A206 WeakPolarHBondContact O-CA 3.48Å
207S93.4Very high89.7Confident20 Ų2049.7 Ų49.714%0.1428%0.284CS..EExtended strand (participates in β ladder)trans-128.8159.2175.968.90000110P127 D128 P130 S199 A200P127-S207 WeakPolarHBondContact O-CB 3.32Å; D128-S207 WeakPolarHBondContact O-CB 3.48Å; D128-S207 PolarHBondContact O-OG 3.25Å; P130-S207 WeakPolarHBondContact CD-OG 3.46Å; S199-S207 CarbonylContact C-O 3.52Å; S199-S207 VanDerWaalsContact CA-O 3.25Å; S199-S207 WeakPolarHBondContact CA-O 3.47Å; A200-S207 PolarHBondContact N-O 2.84Å; A200-S207 PolarHBondContact O-N 2.94Å
208R92.2Very high89.2Confident158 Ų15853 Ų5360%0.59630%0.301SS*.EExtended strand (participates in β ladder)trans-137.8135-179.9-178.6176.9-74.5-174.7-3.6111.4K129 V198 S199K129-R208 WeakPolarHBondContact CE-O 3.26Å; K129-R208 VanDerWaalsContact CG-O 3.25Å; K129-R208 WeakPolarHBondContact CG-O 3.4Å; V198-R208 WeakPolarHBondContact O-CA 3.39Å; S199-R208 PolarHBondContact OG-NE 3.36Å; S199-R208 PolarHBondContact OG-NH2 2.86Å
209S92.6Very high89Confident8 Ų853.2 Ų53.26%0.05630%0.302CS..PPolyproline II helixtrans-60.3163.8176.176.10000112.3P130 I133 V198P130-S209 WeakPolarHBondContact O-CA 3.37Å; P130-S209 VanDerWaalsContact O-CB 3.3Å; P130-S209 WeakPolarHBondContact O-CB 3.21Å; I133-S209 WeakPolarHBondContact CD1-OG 3.23Å; V198-S209 PolarHBondContact N-OG 2.84Å; V198-S209 PolarHBondContact O-N 2.93Å
210D91.6Very high88.8Confident105 Ų10553.3 Ų53.356%0.56130%0.302SS*.PPolyproline II helixtrans-66.2154158.2-65.8-55.8000110.2K129 F212K129-D210 WeakPolarHBondContact CE-OD2 3.37Å; K129-D210 IonicContact NZ-OD1 2.68Å; K129-D210 PolarHBondContact NZ-OD1 2.87Å; K129-D210 IonicContact NZ-OD2 2.68Å; K129-D210 PolarHBondContact NZ-OD2 2.82Å; D210-F212 PolarHBondContact O-N 3.14Å
211P91.4Very high88.7Confident80 Ų8053.7 Ų53.752%0.51930%0.304SS..PPolyproline II helixtrans-72.3118-179.9-14.530000111.3T195 T197T195-P211 HydrophobicContact CG2-CB 3.52Å; T197-P211 HydrophobicContact CG2-CB 3.93Å; T197-P211 HydrophobicContact CG2-CG 4.22Å
212F90.5Very high88.5Confident50 Ų5049.9 Ų49.922%0.21929%0.29CS..EExtended strand (participates in β ladder)trans-86.3110175.2178.3-102.1000109.9I133 C135 T195 L196 D210 F214I133-F212 HydrophobicContact CB-CB 4.18Å; I133-F212 HydrophobicContact CB-CD2 4.31Å; I133-F212 HydrophobicContact CB-CG 4.23Å; I133-F212 HydrophobicContact CD1-CB 4.34Å; I133-F212 HydrophobicContact CG2-CB 4.01Å; I133-F212 HydrophobicContact CG2-CD1 4.06Å; I133-F212 HydrophobicContact CG2-CD2 4.26Å; I133-F212 HydrophobicContact CG2-CG 3.85Å; I133-F212 WeakPolarHBondContact O-CD2 3.48Å; I133-F212 VanDerWaalsContact O-CE2 3.31Å; I133-F212 WeakPolarHBondContact O-CE2 3.16Å; C135-F212 HydrophobicContact CB-CE1 4.04Å; C135-F212 HydrophobicContact CB-CZ 4.49Å; T195-F212 WeakPolarHBondContact CA-O 3.47Å; L196-F212 HydrophobicContact CB-CB 4.41Å; L196-F212 HydrophobicContact CB-CD1 4.34Å; L196-F212 PolarHBondContact N-O 2.96Å; L196-F212 PolarHBondContact O-N 2.87Å; D210-F212 PolarHBondContact O-N 3.14Å; F212-F214 HydrophobicContact CD1-CB 4.37Å; F212-F214 AromaticContact CD1-CD1 3.68Å; F212-F214 HydrophobicContact CD1-CD1 3.68Å; F212-F214 HydrophobicContact CD1-CE1 4.39Å; F212-F214 HydrophobicContact CD1-CG 4.29Å; F212-F214 HydrophobicContact CE1-CB 3.72Å; F212-F214 AromaticContact CE1-CD1 3.65Å; F212-F214 HydrophobicContact CE1-CD1 3.65Å; F212-F214 HydrophobicContact CE1-CE1 4.49Å; F212-F214 AromaticContact CE1-CG 3.8Å; F212-F214 HydrophobicContact CE1-CG 3.8Å; F212-F214 HydrophobicContact CZ-CB 4.18Å
213V89.6Confident88.5Confident87 Ų8750 Ų5053%0.52729%0.29SS..EExtended strand (participates in β ladder)trans-100.5125.1-178.4-176.90000110.3Y194 T195Y194-V213 WeakPolarHBondContact O-CA 3.33Å; T195-V213 HydrophobicContact CG2-CG2 4.23Å
214F88.5Confident88.6Confident5 Ų545.9 Ų45.92%0.02227%0.27CS..EExtended strand (participates in β ladder)trans-144.8161.6-178.371.3-75.1000112.4I188 K193 Y194 L196 F212 I219I188-F214 HydrophobicContact CD1-CE2 4.17Å; I188-F214 HydrophobicContact CD1-CZ 4.21Å; I188-F214 HydrophobicContact CG2-CE2 4.48Å; K193-F214 WeakPolarHBondContact CA-O 3.06Å; Y194-F214 PolarHBondContact N-O 2.78Å; Y194-F214 PolarHBondContact O-N 3.04Å; L196-F214 HydrophobicContact CB-CE1 4.11Å; F212-F214 HydrophobicContact CD1-CB 4.37Å; F212-F214 AromaticContact CD1-CD1 3.68Å; F212-F214 HydrophobicContact CD1-CD1 3.68Å; F212-F214 HydrophobicContact CD1-CE1 4.39Å; F212-F214 HydrophobicContact CD1-CG 4.29Å; F212-F214 HydrophobicContact CE1-CB 3.72Å; F212-F214 AromaticContact CE1-CD1 3.65Å; F212-F214 HydrophobicContact CE1-CD1 3.65Å; F212-F214 HydrophobicContact CE1-CE1 4.49Å; F212-F214 AromaticContact CE1-CG 3.8Å; F212-F214 HydrophobicContact CE1-CG 3.8Å; F212-F214 HydrophobicContact CZ-CB 4.18Å; F214-I219 HydrophobicContact CB-CG2 4.1Å; F214-I219 HydrophobicContact CD2-CD1 3.77Å; F214-I219 HydrophobicContact CD2-CG1 4.14Å; F214-I219 HydrophobicContact CD2-CG2 3.94Å; F214-I219 HydrophobicContact CE2-CD1 3.72Å; F214-I219 HydrophobicContact CG-CG2 4.33Å
215S87.7Confident88.7Confident13 Ų1343.3 Ų43.39%0.09126%0.258CS..  trans-117.9164.7158.673.90000109.3A217 D218S215-A217 PolarHBondContact O-N 2.81Å; S215-D218 WeakPolarHBondContact CB-OD2 3.48Å; S215-D218 PolarHBondContact N-OD2 3.01Å; S215-D218 PolarHBondContact O-N 3.45Å; S215-D218 PolarHBondContact OG-OD2 2.95Å
216L84.5Confident88.8Confident6 Ų649.9 Ų49.93%0.03127%0.274CS..G310 helixtrans-59.9-35.5179.4-170.352.5000111.7T137 R185 I188 E190 D218 I219 V220T137-L216 HydrophobicContact CG2-CD1 3.8Å; R185-L216 HydrophobicContact CG-CD1 4.35Å; R185-L216 HydrophobicContact CG-CD2 4.36Å; I188-L216 HydrophobicContact CG2-CB 3.99Å; I188-L216 HydrophobicContact CG2-CD1 4.42Å; I188-L216 HydrophobicContact CG2-CD2 4.49Å; E190-L216 HydrophobicContact CG-CD2 4.08Å; L216-D218 PolarHBondContact O-N 2.78Å; L216-I219 HydrophobicContact CD1-CD1 4.03Å; L216-I219 HydrophobicContact CD1-CG1 4.13Å; L216-I219 WeakPolarHBondContact O-CG1 3.36Å; L216-I219 PolarHBondContact O-N 2.84Å; L216-V220 HydrophobicContact CD1-CG2 3.93Å; L216-V220 HydrophobicContact CG-CG2 4.05Å; L216-V220 VanDerWaalsContact O-CG2 3.27Å; L216-V220 WeakPolarHBondContact O-CG2 3.41Å; L216-V220 PolarHBondContact O-N 2.86Å
217A80.4Confident88.9Confident72 Ų7246.6 Ų46.660%0.59525%0.245SC*.G310 helixtrans-64.3-21.6176.100000114.2S215S215-A217 PolarHBondContact O-N 2.81Å
218D80.7Confident88.8Confident82 Ų8250.2 Ų50.244%0.43927%0.266SS..G310 helixtrans-89.2-9.2179.4-58-59.2000113.4S215 L216S215-D218 WeakPolarHBondContact CB-OD2 3.48Å; S215-D218 PolarHBondContact N-OD2 3.01Å; S215-D218 PolarHBondContact O-N 3.45Å; S215-D218 PolarHBondContact OG-OD2 2.95Å; L216-D218 PolarHBondContact O-N 2.78Å
219I86.4Confident88.7Confident4 Ų448 Ų482%0.02126%0.261CS..THydrogen-bonded Turntrans-123.2-8.2-175.661.6158.7000114.8C135 E136 T137 V144 F214 L216 I221C135-I219 HydrophobicContact CB-CG2 4.17Å; C135-I219 WeakPolarHBondContact O-CG2 3.46Å; E136-I219 WeakPolarHBondContact CA-O 3.25Å; T137-I219 HydrophobicContact CG2-CD1 4.14Å; T137-I219 HydrophobicContact CG2-CG1 4.29Å; T137-I219 PolarHBondContact N-O 2.9Å; T137-I219 VanDerWaalsContact N-O 3.12Å; V144-I219 HydrophobicContact CB-CD1 4.38Å; V144-I219 HydrophobicContact CG1-CD1 3.53Å; V144-I219 HydrophobicContact CG2-CD1 3.87Å; F214-I219 HydrophobicContact CB-CG2 4.1Å; F214-I219 HydrophobicContact CD2-CD1 3.77Å; F214-I219 HydrophobicContact CD2-CG1 4.14Å; F214-I219 HydrophobicContact CD2-CG2 3.94Å; F214-I219 HydrophobicContact CE2-CD1 3.72Å; F214-I219 HydrophobicContact CG-CG2 4.33Å; L216-I219 HydrophobicContact CD1-CD1 4.03Å; L216-I219 HydrophobicContact CD1-CG1 4.13Å; L216-I219 WeakPolarHBondContact O-CG1 3.36Å; L216-I219 PolarHBondContact O-N 2.84Å; I219-I221 PolarHBondContact O-N 3.06Å
220V86.3Confident88.7Confident21 Ų2148.2 Ų48.213%0.12726%0.262CS..EExtended strand (participates in β ladder)trans-73.4109.8177.2167.30000110.4T137 R139 L216 L312T137-V220 HydrophobicContact CG2-CG2 3.7Å; T137-V220 CarbonylContact O-C 3.58Å; T137-V220 WeakPolarHBondContact O-CA 3.25Å; R139-V220 HydrophobicContact CG-CG1 3.87Å; L216-V220 HydrophobicContact CD1-CG2 3.93Å; L216-V220 HydrophobicContact CG-CG2 4.05Å; L216-V220 VanDerWaalsContact O-CG2 3.27Å; L216-V220 WeakPolarHBondContact O-CG2 3.41Å; L216-V220 PolarHBondContact O-N 2.86Å; V220-L312 WeakPolarHBondContact O-CD1 3.45Å
221I88.2Confident88.6Confident9 Ų946.7 Ų46.75%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-88.5149.5169.659.2167.6000110.4E136 T137 T138 I219 L312E136-I221 HydrophobicContact CB-CD1 4.31Å; E136-I221 HydrophobicContact CB-CG1 4.49Å; E136-I221 HydrophobicContact CB-CG2 4.38Å; T137-I221 WeakPolarHBondContact O-CG1 3.28Å; T137-I221 PolarHBondContact O-N 3.07Å; T138-I221 HydrophobicContact CG2-CD1 4.26Å; T138-I221 HydrophobicContact CG2-CG1 4.11Å; I219-I221 PolarHBondContact O-N 3.06Å; I221-L312 HydrophobicContact CG2-CB 4.29Å; I221-L312 HydrophobicContact CG2-CD2 4.07Å
222P87.9Confident88.4Confident4 Ų445.2 Ų45.23%0.02624%0.237CC..PPolyproline II helixtrans-60.6150172.3-24.134.7000112.8E247 L252 S314P222-E247 WeakPolarHBondContact CA-OE1 3.46Å; P222-L252 HydrophobicContact CB-CD1 4.36Å; P222-L252 HydrophobicContact CB-CD2 3.71Å; P222-L252 HydrophobicContact CG-CD2 3.63Å; P222-S314 WeakPolarHBondContact O-CA 3.37Å; P222-S314 WeakPolarHBondContact O-CB 3.18Å
223E88.4Confident88Confident22 Ų2246.6 Ų46.610%0.10325%0.245CC..PPolyproline II helixtrans-53.4144.5171.9-70.8-57.1155.700113.1T138 R139 S140 P225 S246 E247 T294T138-E223 VanDerWaalsContact CB-CD 3.47Å; T138-E223 WeakPolarHBondContact CB-OE1 3.46Å; T138-E223 PolarHBondContact OG1-OE1 3.47Å; T138-E223 PolarHBondContact OG1-OE2 3.2Å; R139-E223 PolarHBondContact N-OE1 2.91Å; S140-E223 PolarHBondContact N-OE1 3.39Å; S140-E223 PolarHBondContact OG-OE1 2.76Å; S140-E223 VanDerWaalsContact OG-OE1 3.1Å; E223-P225 WeakPolarHBondContact O-CD 3.47Å; E223-S246 WeakPolarHBondContact CB-OG 3.15Å; E223-S246 WeakPolarHBondContact CG-OG 3.48Å; E223-E247 HydrophobicContact CB-CG 4.3Å; E223-E247 HydrophobicContact CG-CG 4.01Å; E223-E247 PolarHBondContact N-OE1 2.86Å; E223-T294 PolarHBondContact O-OG1 2.85Å
224T90.4Very high87.2Confident47 Ų4750.7 Ų50.729%0.28826%0.264SS..  trans-76.6115.8-174.1-63.70000111.4K315T224-K315 HydrophobicContact CG2-CB 4.47Å
225P91.4Very high86.3Confident0 Ų053.1 Ų53.10%028%0.277CS..  trans-71.1161.8-175.429.9-35.4000112.1E223 W243 K244 I292 T294 S314 S317E223-P225 WeakPolarHBondContact O-CD 3.47Å; P225-W243 HydrophobicContact CB-CE3 3.72Å; P225-W243 HydrophobicContact CB-CZ3 4Å; P225-K244 CarbonylContact C-O 3.51Å; P225-K244 WeakPolarHBondContact CA-O 3.47Å; P225-I292 HydrophobicContact CB-CG2 4.19Å; P225-I292 HydrophobicContact CG-CG2 3.97Å; P225-T294 WeakPolarHBondContact CD-OG1 3.49Å; P225-T294 HydrophobicContact CG-CG2 4.41Å; P225-S314 VanDerWaalsContact CD-OG 3.23Å; P225-S314 WeakPolarHBondContact CD-OG 3.32Å; P225-S317 WeakPolarHBondContact O-CB 3.47Å
226R91.6Very high85.7Confident168 Ų16853.2 Ų53.263%0.63428%0.278SS*.EExtended strand (participates in β ladder)trans-128.2126.9176.7-58.3-172.8-173.8-159.62.1110.6W243 K244R226-W243 CarbonylContact O-C 3.58Å; R226-W243 VanDerWaalsContact O-CA 3.32Å; R226-W243 WeakPolarHBondContact O-CA 3.34Å; R226-K244 PolarHBondContact N-O 3.49Å; R226-K244 PolarHBondContact O-N 2.92Å
227V92.5Very high85.5Confident18 Ų1854.8 Ų54.811%0.10929%0.288CS..EExtended strand (participates in β ladder)trans-70.2127.5166-176.40000108V230 I292 V320V227-V230 HydrophobicContact CG1-CG2 3.97Å; V227-I292 HydrophobicContact CG2-CB 4.4Å; V227-I292 HydrophobicContact CG2-CG2 3.61Å; V227-V320 HydrophobicContact CB-CG2 3.87Å; V227-V320 HydrophobicContact CG1-CB 4.4Å; V227-V320 HydrophobicContact CG1-CG2 4.11Å
228V91.3Very high85.8Confident95 Ų9551.5 Ų51.558%0.57626%0.26SS*.EExtended strand (participates in β ladder)trans-98.9-41.7-178.5-177.10000110.7H242 K244V228-H242 PolarHBondContact N-O 3.18Å; V228-K244 HydrophobicContact CG2-CB 4.43Å; V228-K244 HydrophobicContact CG2-CD 3.84Å; V228-K244 HydrophobicContact CG2-CG 3.75Å
229K90.6Very high86.3Confident111 Ų11147.6 Ų47.648%0.48324%0.239SC..EExtended strand (participates in β ladder)trans-151.3152.8-179.5-164.3177.5177-1650109.8E231 H242K229-E231 HydrophobicContact CD-CG 3.9Å; K229-E231 VanDerWaalsContact CD-OE1 3.25Å; K229-E231 WeakPolarHBondContact CD-OE1 3.24Å; K229-E231 WeakPolarHBondContact CE-OE1 3.36Å; K229-E231 HydrophobicContact CG-CG 4.11Å; K229-E231 IonicContact NZ-OE1 3.11Å; K229-E231 PolarHBondContact NZ-OE1 2.85Å; K229-H242 HydrophobicContact CB-CB 4.04Å; K229-H242 PolarHBondContact N-O 2.89Å; K229-H242 PolarHBondContact O-N 2.94Å
230V91.9Very high86.5Confident13 Ų1348 Ų488%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-122.9127.4166.1-172.10000106.2V227 A239 V240 L241 F290 V320 R322V227-V230 HydrophobicContact CG1-CG2 3.97Å; V230-A239 HydrophobicContact CG1-CB 3.99Å; V230-V240 WeakPolarHBondContact CA-O 3.47Å; V230-L241 HydrophobicContact CG1-CD1 4.12Å; V230-L241 HydrophobicContact CG1-CG 4.4Å; V230-L241 HydrophobicContact CG2-CG 4.24Å; V230-F290 HydrophobicContact CG1-CD2 4.48Å; V230-F290 HydrophobicContact CG1-CE2 4.13Å; V230-F290 HydrophobicContact CG1-CZ 4.48Å; V230-F290 HydrophobicContact CG2-CD2 4.27Å; V230-V320 HydrophobicContact CG2-CG1 4.08Å; V230-R322 HydrophobicContact CB-CG 4.17Å
231E90.7Very high86.8Confident74 Ų7447 Ų4735%0.34624%0.236SC..EExtended strand (participates in β ladder)trans-117.4131.5176.8-62.3-170.5-174.600108.6K229 A239 V240 H242K229-E231 HydrophobicContact CD-CG 3.9Å; K229-E231 VanDerWaalsContact CD-OE1 3.25Å; K229-E231 WeakPolarHBondContact CD-OE1 3.24Å; K229-E231 WeakPolarHBondContact CE-OE1 3.36Å; K229-E231 HydrophobicContact CG-CG 4.11Å; K229-E231 IonicContact NZ-OE1 3.11Å; K229-E231 PolarHBondContact NZ-OE1 2.85Å; E231-A239 CarbonylContact O-C 3.47Å; E231-A239 WeakPolarHBondContact O-CA 3.25Å; E231-A239 WeakPolarHBondContact O-CB 3.36Å; E231-V240 PolarHBondContact N-O 3.02Å; E231-V240 PolarHBondContact O-N 3.37Å; E231-H242 VanDerWaalsContact CD-NE2 3.29Å; E231-H242 IonicContact OE1-CE1 3.2Å; E231-H242 IonicContact OE1-NE2 2.66Å; E231-H242 PolarHBondContact OE1-NE2 2.9Å; E231-H242 IonicContact OE2-NE2 3.99Å
232F87.4Confident87Confident49 Ų4949 Ų4922%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-89.5141.1172.6-67-81.5000109.9A239 L282 R322 T323 P325F232-A239 HydrophobicContact CD1-CB 3.73Å; F232-A239 HydrophobicContact CE1-CB 3.9Å; F232-A239 HydrophobicContact CG-CB 4.46Å; F232-L282 HydrophobicContact CD1-CD1 4.38Å; F232-L282 HydrophobicContact CE1-CD1 3.92Å; F232-R322 HydrophobicContact CE2-CB 3.92Å; F232-R322 HydrophobicContact CZ-CB 4.11Å; F232-T323 WeakPolarHBondContact CE2-O 3.21Å; F232-T323 WeakPolarHBondContact CZ-O 3.33Å; F232-P325 HydrophobicContact CB-CG 3.99Å; F232-P325 VanDerWaalsContact CG-CD 3.47Å; F232-P325 HydrophobicContact CG-CG 4.32Å
233M81.9Confident87.1Confident79 Ų7949.4 Ų49.439%0.38925%0.246SC..  trans-80.1162.7175.6-61-61.5-67.300110.7D235 S236 S238 V240M233-D235 PolarHBondContact O-N 2.93Å; M233-S236 PolarHBondContact O-N 2.85Å; M233-S238 WeakPolarHBondContact CB-OG 3.48Å; M233-S238 VanDerWaalsContact CG-OG 3.27Å; M233-S238 WeakPolarHBondContact CG-OG 3.38Å; M233-S238 PolarHBondContact N-O 2.78Å; M233-V240 HydrophobicContact CG-CG2 4.45Å; M233-V240 HydrophobicContact SD-CG2 3.9Å
234N72.6Confident87.2Confident172 Ų17254.5 Ų54.592%0.9227%0.268SS*.THydrogen-bonded Turntrans-59.8-10.7178.1-58.86.7000114.4S236N234-S236 VanDerWaalsContact C-N 3.3Å
235D70.2Confident87Confident56 Ų5653.8 Ų53.830%0.29926%0.264SS..THydrogen-bonded Turntrans-82-3.8174.960.132.8000113.7M233 T237 S238 R278M233-D235 PolarHBondContact O-N 2.93Å; D235-T237 WeakPolarHBondContact O-CB 3.23Å; D235-T237 WeakPolarHBondContact O-CG2 3.38Å; D235-T237 PolarHBondContact O-N 2.93Å; D235-T237 PolarHBondContact O-OG1 2.77Å; D235-T237 PolarHBondContact OD1-N 2.78Å; D235-T237 PolarHBondContact OD1-OG1 2.93Å; D235-S238 VanDerWaalsContact CG-OG 3.29Å; D235-S238 PolarHBondContact OD1-N 3.17Å; D235-S238 PolarHBondContact OD1-OG 2.79Å; D235-S238 PolarHBondContact OD2-OG 3.07Å; D235-R278 IonicContact OD2-NH2 2.59Å; D235-R278 PolarHBondContact OD2-NH2 2.66Å
236S73.5Confident86.4Confident15 Ų1558.5 Ų58.511%0.10530%0.297CS..SBendtrans52.49.6-176.6-59.40000115.6M233 N234 E326M233-S236 PolarHBondContact O-N 2.85Å; N234-S236 VanDerWaalsContact C-N 3.3Å; S236-E326 VanDerWaalsContact CB-O 3.31Å; S236-E326 WeakPolarHBondContact CB-O 3.48Å; S236-E326 PolarHBondContact OG-O 3.33Å
237T82.3Confident85.6Confident40 Ų4052.4 Ų52.425%0.24528%0.275CS..SBendtrans-133.4-3.6-168.3490000112.4D235 N281 L282 P284 K327D235-T237 WeakPolarHBondContact O-CB 3.23Å; D235-T237 WeakPolarHBondContact O-CG2 3.38Å; D235-T237 PolarHBondContact O-N 2.93Å; D235-T237 PolarHBondContact O-OG1 2.77Å; D235-T237 PolarHBondContact OD1-N 2.78Å; D235-T237 PolarHBondContact OD1-OG1 2.93Å; T237-N281 PolarHBondContact O-N 3.46Å; T237-N281 VanDerWaalsContact O-N 3.1Å; T237-L282 WeakPolarHBondContact O-CB 3.46Å; T237-L282 PolarHBondContact O-N 2.96Å; T237-P284 HydrophobicContact CG2-CG 4.28Å; T237-K327 HydrophobicContact CG2-CD 4.1Å
238S86.4Confident84.4Confident2 Ų255.3 Ų55.31%0.01430%0.297CS..  trans-129.8153.1165.873.40000112.5M233 D235 R278 V279M233-S238 WeakPolarHBondContact CB-OG 3.48Å; M233-S238 VanDerWaalsContact CG-OG 3.27Å; M233-S238 WeakPolarHBondContact CG-OG 3.38Å; M233-S238 PolarHBondContact N-O 2.78Å; D235-S238 VanDerWaalsContact CG-OG 3.29Å; D235-S238 PolarHBondContact OD1-N 3.17Å; D235-S238 PolarHBondContact OD1-OG 2.79Å; D235-S238 PolarHBondContact OD2-OG 3.07Å; S238-R278 PolarHBondContact OG-NE 2.92Å; S238-R278 VanDerWaalsContact OG-NE 3.09Å; S238-R278 PolarHBondContact OG-NH2 2.82Å; S238-V279 CarbonylContact C-O 3.46Å; S238-V279 WeakPolarHBondContact CA-O 3.26Å; S238-V279 WeakPolarHBondContact CB-O 3.43Å
239A89.7Confident83Confident0 Ų051.4 Ų51.40%027%0.274CS..EExtended strand (participates in β ladder)trans-134.1148.217700000111.2V230 E231 F232 L241 R278 V279 L282V230-A239 HydrophobicContact CG1-CB 3.99Å; E231-A239 CarbonylContact O-C 3.47Å; E231-A239 WeakPolarHBondContact O-CA 3.25Å; E231-A239 WeakPolarHBondContact O-CB 3.36Å; F232-A239 HydrophobicContact CD1-CB 3.73Å; F232-A239 HydrophobicContact CE1-CB 3.9Å; F232-A239 HydrophobicContact CG-CB 4.46Å; A239-L241 HydrophobicContact CB-CD1 4.43Å; A239-R278 CarbonylContact O-C 3.56Å; A239-R278 WeakPolarHBondContact O-CA 3.2Å; A239-V279 PolarHBondContact N-O 2.88Å; A239-V279 PolarHBondContact O-N 2.87Å; A239-L282 HydrophobicContact CB-CD1 3.65Å
240V92.1Very high81.5Confident14 Ų1454 Ų549%0.08529%0.289CS..EExtended strand (participates in β ladder)trans-103.9123.8170.9-179.20000108.8V230 E231 M233 L272 L276 I277V230-V240 WeakPolarHBondContact CA-O 3.47Å; E231-V240 PolarHBondContact N-O 3.02Å; E231-V240 PolarHBondContact O-N 3.37Å; M233-V240 HydrophobicContact CG-CG2 4.45Å; M233-V240 HydrophobicContact SD-CG2 3.9Å; V240-L272 HydrophobicContact CG1-CD1 4.34Å; V240-L272 HydrophobicContact CG2-CD1 4.06Å; V240-L276 HydrophobicContact CG1-CB 4.37Å; V240-L276 HydrophobicContact CG1-CD2 4.07Å; V240-I277 WeakPolarHBondContact CA-O 3.48Å
241L92Very high80.3Confident0 Ų062.8 Ų62.80%032%0.321CS..EExtended strand (participates in β ladder)trans-96.3115.2175.2-79.270.2000108.6V230 A239 I256 I277 V279 F290V230-L241 HydrophobicContact CG1-CD1 4.12Å; V230-L241 HydrophobicContact CG1-CG 4.4Å; V230-L241 HydrophobicContact CG2-CG 4.24Å; A239-L241 HydrophobicContact CB-CD1 4.43Å; L241-I256 HydrophobicContact CD2-CD1 4.13Å; L241-I256 HydrophobicContact CD2-CG2 4.38Å; L241-I277 PolarHBondContact N-O 2.8Å; L241-I277 PolarHBondContact O-N 2.65Å; L241-V279 HydrophobicContact CD1-CB 4.34Å; L241-V279 HydrophobicContact CD1-CG2 3.82Å; L241-F290 HydrophobicContact CD1-CD1 4.24Å; L241-F290 HydrophobicContact CD1-CE1 4.31Å; L241-F290 HydrophobicContact CD2-CB 4Å; L241-F290 HydrophobicContact CD2-CD1 4Å; L241-F290 HydrophobicContact CD2-CG 4.18Å
242H92Very high79.6Confident51 Ų5160 Ų6024%0.23631%0.309CS..EExtended strand (participates in β ladder)trans-85.1117.7171.1-59.7-122.8000107.3V228 K229 E231 G275 L276V228-H242 PolarHBondContact N-O 3.18Å; K229-H242 HydrophobicContact CB-CB 4.04Å; K229-H242 PolarHBondContact N-O 2.89Å; K229-H242 PolarHBondContact O-N 2.94Å; E231-H242 VanDerWaalsContact CD-NE2 3.29Å; E231-H242 IonicContact OE1-CE1 3.2Å; E231-H242 IonicContact OE1-NE2 2.66Å; E231-H242 PolarHBondContact OE1-NE2 2.9Å; E231-H242 IonicContact OE2-NE2 3.99Å; H242-G275 WeakPolarHBondContact CA-O 3.35Å; H242-L276 HydrophobicContact CB-CD2 4.18Å; H242-L276 WeakPolarHBondContact ND1-CD2 3.48Å
243W91.2Very high79.3Confident11 Ų1165.3 Ų65.34%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-132.1160.5-176.971-78.9000111.2P225 R226 T245 G275 I277 I292 T294P225-W243 HydrophobicContact CB-CE3 3.72Å; P225-W243 HydrophobicContact CB-CZ3 4Å; R226-W243 CarbonylContact O-C 3.58Å; R226-W243 VanDerWaalsContact O-CA 3.32Å; R226-W243 WeakPolarHBondContact O-CA 3.34Å; W243-T245 HydrophobicContact CH2-CG2 4.31Å; W243-T245 HydrophobicContact CZ3-CG2 3.72Å; W243-G275 PolarHBondContact N-O 3.14Å; W243-G275 WeakPolarHBondContact O-CA 3.44Å; W243-I277 HydrophobicContact CG-CD1 4.48Å; W243-I277 HydrophobicContact CZ2-CD1 4.45Å; W243-I292 HydrophobicContact CB-CD1 4.07Å; W243-I292 HydrophobicContact CD2-CD1 3.66Å; W243-I292 HydrophobicContact CE3-CD1 4.12Å; W243-I292 HydrophobicContact CG-CD1 3.62Å; W243-T294 HydrophobicContact CH2-CG2 3.59Å; W243-T294 HydrophobicContact CZ3-CG2 3.56Å
244K89.2Confident79.5Confident130 Ų13062 Ų6257%0.56531%0.312SS*.EExtended strand (participates in β ladder)trans-143.5153.8174.365.6-178.6179.71770112P225 R226 V228P225-K244 CarbonylContact C-O 3.51Å; P225-K244 WeakPolarHBondContact CA-O 3.47Å; R226-K244 PolarHBondContact N-O 3.49Å; R226-K244 PolarHBondContact O-N 2.92Å; V228-K244 HydrophobicContact CG2-CB 4.43Å; V228-K244 HydrophobicContact CG2-CD 3.84Å; V228-K244 HydrophobicContact CG2-CG 3.75Å
245T86.3Confident80.2Confident32 Ų3256.1 Ų56.120%0.19628%0.279CS..  trans-132.5170.9169-179.50000109W243 E247 L252W243-T245 HydrophobicContact CH2-CG2 4.31Å; W243-T245 HydrophobicContact CZ3-CG2 3.72Å; T245-E247 WeakPolarHBondContact CG2-O 3.45Å; T245-L252 HydrophobicContact CG2-CD1 4.23Å
246S79.9Confident81.2Confident99 Ų9953.5 Ų53.569%0.69227%0.265SS*.SBendtrans-94.8-9.8175.534.20000113.6E223E223-S246 WeakPolarHBondContact CB-OG 3.15Å; E223-S246 WeakPolarHBondContact CG-OG 3.48Å
247E74.1Confident82Confident39 Ų3955.6 Ų55.618%0.18227%0.27CS..SBendtrans-91165.1168.7-71.3-174.7-134.500111.3R139 P222 E223 T245 S249 L252R139-E247 VanDerWaalsContact CD-CD 3.5Å; R139-E247 WeakPolarHBondContact CD-OE2 3.33Å; R139-E247 IonicContact NE-OE1 3.6Å; R139-E247 IonicContact NE-OE2 3.22Å; R139-E247 PolarHBondContact NE-OE2 2.92Å; P222-E247 WeakPolarHBondContact CA-OE1 3.46Å; E223-E247 HydrophobicContact CB-CG 4.3Å; E223-E247 HydrophobicContact CG-CG 4.01Å; E223-E247 PolarHBondContact N-OE1 2.86Å; T245-E247 WeakPolarHBondContact CG2-O 3.45Å; E247-S249 PolarHBondContact O-N 3Å; E247-L252 HydrophobicContact CB-CD1 4.18Å
248S67.8Low82.5Confident80 Ų8053.7 Ų53.756%0.55926%0.259SS*.  trans-72.6123.1172510000110.9M250S248-M250 PolarHBondContact O-N 2.79Å; S248-M250 VanDerWaalsContact O-N 3.17Å
249S61.8Low82.8Confident13 Ų1357.4 Ų57.49%0.09127%0.272CS..G310 helixtrans-68.3-21.7-171-37.30000112.7E247 R251 L252 E274E247-S249 PolarHBondContact O-N 3Å; S249-R251 PolarHBondContact O-N 3.28Å; S249-L252 PolarHBondContact O-N 3.2Å; S249-E274 WeakPolarHBondContact CB-OE1 3.49Å; S249-E274 PolarHBondContact N-OE1 2.88Å; S249-E274 WeakPolarHBondContact OG-CG 3.36Å; S249-E274 PolarHBondContact OG-OE1 3.03Å
250M57.7Low82.6Confident165 Ų16559 Ų5981%0.81329%0.288SS*.G310 helixtrans-54.6-12-177.7-60.5179.3-179.700116.2S248S248-M250 PolarHBondContact O-N 2.79Å; S248-M250 VanDerWaalsContact O-N 3.17Å
251R67.6Low82Confident198 Ų19864.2 Ų64.275%0.74732%0.316SS*.G310 helixtrans-119.89.9175.9-64.7-176.2179.7171.80.4113.6S249 S297S249-R251 PolarHBondContact O-N 3.28Å; R251-S297 VanDerWaalsContact O-CB 3.25Å; R251-S297 WeakPolarHBondContact O-CB 3.41Å; R251-S297 PolarHBondContact O-N 2.89Å
252L75.8Confident81.3Confident16 Ų1670.8 Ų70.88%0.08435%0.351CS..EExtended strand (participates in β ladder)trans-115.5143.4-176.7-59.3178.7000110.1P222 T245 E247 S249 T294 C295P222-L252 HydrophobicContact CB-CD1 4.36Å; P222-L252 HydrophobicContact CB-CD2 3.71Å; P222-L252 HydrophobicContact CG-CD2 3.63Å; T245-L252 HydrophobicContact CG2-CD1 4.23Å; E247-L252 HydrophobicContact CB-CD1 4.18Å; S249-L252 PolarHBondContact O-N 3.2Å; L252-T294 HydrophobicContact CB-CG2 4Å; L252-T294 HydrophobicContact CD1-CG2 4.12Å; L252-C295 CarbonylContact C-O 3.58Å; L252-C295 WeakPolarHBondContact CA-O 3.46Å
253R82.2Confident81.1Confident160 Ų16072.6 Ų72.660%0.60437%0.365SS*.EExtended strand (participates in β ladder)trans-110.1117.6170.8-171.5176.4-175.3-176.42.9109.1C295R253-C295 PolarHBondContact N-O 3.24Å; R253-C295 PolarHBondContact O-N 2.94Å
254S84.3Confident81Confident9 Ų976.4 Ų76.46%0.06338%0.38CS..EExtended strand (participates in β ladder)trans-69.5142.5175.857.60000112.4I277 K293S254-I277 VanDerWaalsContact CB-CD1 3.42Å; S254-I277 WeakPolarHBondContact OG-CD1 3.42Å; S254-K293 WeakPolarHBondContact CA-O 3.1Å
255Q87.9Confident81Confident49 Ų4974.2 Ų74.223%0.22937%0.372CS..EExtended strand (participates in β ladder)trans-126.7133163.5-64.3-176.93.900108.6I292 K293 W316Q255-I292 WeakPolarHBondContact O-CA 3.45Å; Q255-K293 HydrophobicContact CB-CG 4.04Å; Q255-K293 PolarHBondContact N-O 3.47Å; Q255-K293 PolarHBondContact O-N 3.27Å; Q255-W316 WeakPolarHBondContact O-CZ3 3.22Å
256I90.6Very high81Confident1 Ų178.1 Ų78.11%0.00539%0.388CS..EExtended strand (participates in β ladder)trans-107.3144.3178.3-67.6167.9000108.7L241 Q266 R267 I277 V279 Q291 I292L241-I256 HydrophobicContact CD2-CD1 4.13Å; L241-I256 HydrophobicContact CD2-CG2 4.38Å; I256-Q266 CarbonylContact O-C 3.5Å; I256-Q266 WeakPolarHBondContact O-CA 3.48Å; I256-Q266 WeakPolarHBondContact O-CG 3.42Å; I256-R267 PolarHBondContact N-O 2.81Å; I256-R267 PolarHBondContact O-N 2.82Å; I256-R267 VanDerWaalsContact O-O 3.11Å; I256-I277 HydrophobicContact CD1-CB 3.96Å; I256-I277 HydrophobicContact CD1-CD1 4.06Å; I256-I277 HydrophobicContact CD1-CG2 3.45Å; I256-I277 VanDerWaalsContact CD1-CG2 3.45Å; I256-V279 HydrophobicContact CD1-CG2 3.68Å; I256-V279 HydrophobicContact CG2-CG2 4.22Å; I256-Q291 WeakPolarHBondContact CA-O 3.35Å; I256-I292 HydrophobicContact CG1-CB 4.36Å; I256-I292 HydrophobicContact CG1-CD1 4.29Å; I256-I292 HydrophobicContact CG1-CG1 4.07Å
257R91.8Very high81Confident59 Ų5976.6 Ų76.622%0.22337%0.367CS..EExtended strand (participates in β ladder)trans-123.3146158.269.6177.7-174.3-168.30.7110.9W264 E265 Q291 W316R257-W264 HydrophobicContact CB-CE3 4.05Å; R257-W264 HydrophobicContact CG-CD2 4.39Å; R257-W264 HydrophobicContact CG-CE3 3.58Å; R257-W264 HydrophobicContact CG-CZ3 3.77Å; R257-E265 CarbonylContact C-O 3.59Å; R257-E265 WeakPolarHBondContact CA-O 3.45Å; R257-E265 WeakPolarHBondContact CB-O 3.39Å; R257-Q291 HydrophobicContact CG-CB 3.97Å; R257-Q291 PolarHBondContact N-O 2.86Å; R257-Q291 PolarHBondContact O-N 3.34Å; R257-Q291 VanDerWaalsContact O-O 3.13Å; R257-W316 HydrophobicContact CB-CH2 3.83Å; R257-W316 HydrophobicContact CB-CZ2 4.42Å; R257-W316 HydrophobicContact CB-CZ3 3.96Å; R257-W316 HydrophobicContact CG-CD2 4.23Å; R257-W316 HydrophobicContact CG-CE3 3.83Å; R257-W316 HydrophobicContact CG-CH2 3.82Å; R257-W316 HydrophobicContact CG-CZ2 4.2Å; R257-W316 HydrophobicContact CG-CZ3 3.63Å
258L92.4Very high80.8Confident0 Ų078.8 Ų78.80%039%0.392CS..EExtended strand (participates in β ladder)trans-131.5150.2178.562.690000110.5E265 R267 V279 L282 Y288 E289 F290L258-E265 HydrophobicContact CD1-CB 4.12Å; L258-E265 HydrophobicContact CG-CB 4.33Å; L258-E265 PolarHBondContact N-O 3.44Å; L258-E265 PolarHBondContact O-N 2.91Å; L258-R267 HydrophobicContact CD2-CG 4.43Å; L258-V279 HydrophobicContact CD2-CG1 3.59Å; L258-L282 HydrophobicContact CD2-CD2 3.98Å; L258-Y288 HydrophobicContact CD1-CD1 3.87Å; L258-Y288 HydrophobicContact CD1-CE1 3.67Å; L258-E289 CarbonylContact C-O 3.55Å; L258-E289 VanDerWaalsContact CA-O 3.27Å; L258-E289 WeakPolarHBondContact CA-O 3.48Å; L258-F290 HydrophobicContact CB-CD1 3.93Å; L258-F290 HydrophobicContact CB-CE1 4.12Å; L258-F290 HydrophobicContact CD2-CE1 4.48Å
259R92.2Very high80.7Confident80 Ų8075.9 Ų75.930%0.30238%0.375SS..EExtended strand (participates in β ladder)trans-135.5121.8177.2166.316480.3157.52.4109.6N262 T263 W264 Y288 E289R259-N262 VanDerWaalsContact CD-O 3.23Å; R259-N262 WeakPolarHBondContact CD-O 3.45Å; R259-T263 WeakPolarHBondContact CA-O 3.12Å; R259-T263 WeakPolarHBondContact CB-O 3.48Å; R259-T263 WeakPolarHBondContact CG-O 3.25Å; R259-W264 HydrophobicContact CB-CD2 3.83Å; R259-W264 HydrophobicContact CB-CE3 3.56Å; R259-W264 HydrophobicContact CB-CH2 4.08Å; R259-W264 HydrophobicContact CB-CZ2 4.31Å; R259-W264 HydrophobicContact CB-CZ3 3.7Å; R259-Y288 WeakPolarHBondContact O-CA 3.34Å; R259-E289 HydrophobicContact CB-CB 4.32Å; R259-E289 IonicContact CZ-OE2 3.99Å; R259-E289 PolarHBondContact N-O 3.21Å; R259-E289 IonicContact NE-OE2 3.36Å; R259-E289 PolarHBondContact NE-OE2 2.87Å; R259-E289 IonicContact NH2-OE1 3.46Å; R259-E289 IonicContact NH2-OE2 3.54Å; R259-E289 PolarHBondContact NH2-OE2 3.06Å; R259-E289 PolarHBondContact O-N 3.14Å
260G86.2Confident81.3Confident32 Ų3277.9 Ų77.933%0.3339%0.392SS..SBendtrans-134.2-7.3176.300000114.9
261N79.3Confident82.2Confident125 Ų12574.4 Ų74.467%0.66837%0.374SS*.SBendtrans-140.152.3174.5-170.420.7000110.6T263N261-T263 PolarHBondContact O-N 2.92Å
262N76.9Confident82.6Confident137 Ų13769.9 Ų69.973%0.73336%0.364SS*.SBendtrans59.9-23.4-174.6-66.1-42.1000117.6R259R259-N262 VanDerWaalsContact CD-O 3.23Å; R259-N262 WeakPolarHBondContact CD-O 3.45Å
263T88.2Confident82.6Confident89 Ų8971.9 Ų71.955%0.54638%0.379SS..SBendtrans-81.1152.6172.553.50000112.4R259 N261R259-T263 WeakPolarHBondContact CA-O 3.12Å; R259-T263 WeakPolarHBondContact CB-O 3.48Å; R259-T263 WeakPolarHBondContact CG-O 3.25Å; N261-T263 PolarHBondContact O-N 2.92Å
264W88Confident82.3Confident91 Ų9169.3 Ų69.335%0.34537%0.374SS..PPolyproline II helixtrans-98.6121.5173.1-75.8106.8000110.9R257 R259 E289 Q291R257-W264 HydrophobicContact CB-CE3 4.05Å; R257-W264 HydrophobicContact CG-CD2 4.39Å; R257-W264 HydrophobicContact CG-CE3 3.58Å; R257-W264 HydrophobicContact CG-CZ3 3.77Å; R259-W264 HydrophobicContact CB-CD2 3.83Å; R259-W264 HydrophobicContact CB-CE3 3.56Å; R259-W264 HydrophobicContact CB-CH2 4.08Å; R259-W264 HydrophobicContact CB-CZ2 4.31Å; R259-W264 HydrophobicContact CB-CZ3 3.7Å; W264-E289 HydrophobicContact CH2-CB 4.38Å; W264-E289 HydrophobicContact CH2-CG 3.9Å; W264-Q291 HydrophobicContact CH2-CG 4.18Å
265E89.3Confident82.2Confident85 Ų8569.5 Ų69.540%0.39738%0.377SS..EExtended strand (participates in β ladder)trans-101.7125.5170.5-64.9-179.4-156.600110R257 L258 R267R257-E265 CarbonylContact C-O 3.59Å; R257-E265 WeakPolarHBondContact CA-O 3.45Å; R257-E265 WeakPolarHBondContact CB-O 3.39Å; L258-E265 HydrophobicContact CD1-CB 4.12Å; L258-E265 HydrophobicContact CG-CB 4.33Å; L258-E265 PolarHBondContact N-O 3.44Å; L258-E265 PolarHBondContact O-N 2.91Å; E265-R267 IonicContact OE2-CZ 3.76Å; E265-R267 VanDerWaalsContact OE2-CZ 3.28Å; E265-R267 IonicContact OE2-NE 3.32Å; E265-R267 PolarHBondContact OE2-NE 3.06Å; E265-R267 VanDerWaalsContact OE2-NE 3.11Å; E265-R267 IonicContact OE2-NH2 3.61Å; E265-R267 PolarHBondContact OE2-NH2 2.77Å
266Q86.9Confident82.2Confident113 Ų11369.5 Ų69.553%0.52838%0.378SS..EExtended strand (participates in β ladder)trans-93.1127.6171.2-165-178.5-94.600109.8I256 W316I256-Q266 CarbonylContact O-C 3.5Å; I256-Q266 WeakPolarHBondContact O-CA 3.48Å; I256-Q266 WeakPolarHBondContact O-CG 3.42Å; Q266-W316 HydrophobicContact CG-CH2 4.15Å
267R80.6Confident82.2Confident67 Ų6769.4 Ų69.425%0.25338%0.378SS..EExtended strand (participates in β ladder)trans-126.5139.5178.5-59.6-170.7-174.9-172.90.9110.4I256 L258 E265 G269 E280 N281I256-R267 PolarHBondContact N-O 2.81Å; I256-R267 PolarHBondContact O-N 2.82Å; I256-R267 VanDerWaalsContact O-O 3.11Å; L258-R267 HydrophobicContact CD2-CG 4.43Å; E265-R267 IonicContact OE2-CZ 3.76Å; E265-R267 VanDerWaalsContact OE2-CZ 3.28Å; E265-R267 IonicContact OE2-NE 3.32Å; E265-R267 PolarHBondContact OE2-NE 3.06Å; E265-R267 VanDerWaalsContact OE2-NE 3.11Å; E265-R267 IonicContact OE2-NH2 3.61Å; E265-R267 PolarHBondContact OE2-NH2 2.77Å; R267-G269 PolarHBondContact O-N 3.05Å; R267-E280 PolarHBondContact NH1-O 2.87Å; R267-N281 PolarHBondContact NH1-O 3.37Å; R267-N281 PolarHBondContact NH2-O 3.14Å
268A69.3Low82Confident86 Ų8670 Ų7071%0.71138%0.38SS*.  trans-8096.2163.600000107.3
269G65.9Low81.9Confident19 Ų1970.1 Ų70.120%0.19638%0.381CS..  trans-67.4154.5177.500000111.8R267 E271 R278R267-G269 PolarHBondContact O-N 3.05Å; G269-E271 PolarHBondContact O-N 2.87Å; G269-R278 WeakPolarHBondContact CA-O 3.39Å
270A73.8Confident81.7Confident54 Ų5470.4 Ų70.445%0.44639%0.385SS..EExtended strand (participates in β ladder)trans-81.2110.3177.300000109.5L272 I277 R278A270-L272 PolarHBondContact O-N 3.24Å; A270-I277 CarbonylContact O-C 3.51Å; A270-I277 WeakPolarHBondContact O-CA 3.33Å; A270-R278 HydrophobicContact CB-CB 4.47Å; A270-R278 PolarHBondContact N-O 3.24Å; A270-R278 PolarHBondContact O-N 3.42Å
271E77.8Confident81.7Confident93 Ų9375 Ų7544%0.43540%0.403SS..EExtended strand (participates in β ladder)trans-70.8116.4177.1-168.9160.6-152.800109.4G269 I277G269-E271 PolarHBondContact O-N 2.87Å; E271-I277 HydrophobicContact CB-CG1 4.49Å; E271-I277 HydrophobicContact CG-CG1 4.46Å
272L75.7Confident82Confident103 Ų10369.4 Ų69.454%0.53937%0.373SS..EExtended strand (participates in β ladder)trans-89-39.2-177.1-63.6177.1000111.1V240 A270 L276 R278V240-L272 HydrophobicContact CG1-CD1 4.34Å; V240-L272 HydrophobicContact CG2-CD1 4.06Å; A270-L272 PolarHBondContact O-N 3.24Å; L272-L276 HydrophobicContact CB-CB 4.28Å; L272-L276 PolarHBondContact N-O 3.43Å; L272-R278 HydrophobicContact CD1-CB 4.12Å; L272-R278 HydrophobicContact CD2-CB 4.36Å; L272-R278 HydrophobicContact CG-CB 4.23Å
273S75.6Confident82.4Confident58 Ų5869.4 Ų69.441%0.40637%0.366SS..EExtended strand (participates in β ladder)trans-161.4174.6173.1710000108.9G275 L276S273-G275 PolarHBondContact O-N 3.4Å; S273-L276 PolarHBondContact N-O 2.84Å; S273-L276 PolarHBondContact O-N 2.91Å; S273-L276 VanDerWaalsContact O-O 3.13Å; S273-L276 WeakPolarHBondContact OG-CD1 3.28Å
274E76.6Confident82.3Confident105 Ų10566.5 Ų66.549%0.49135%0.349SS..THydrogen-bonded Turntrans-51.5128168.6-179.9156.7-148.300110.4S249 L276S249-E274 WeakPolarHBondContact CB-OE1 3.49Å; S249-E274 PolarHBondContact N-OE1 2.88Å; S249-E274 WeakPolarHBondContact OG-CG 3.36Å; S249-E274 PolarHBondContact OG-OE1 3.03Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 2.87Å
275G81.8Confident82.1Confident13 Ų1368.3 Ų68.313%0.13436%0.361CS..THydrogen-bonded Turntrans75.9-0.3-177.800000117H242 W243 S273H242-G275 WeakPolarHBondContact CA-O 3.35Å; W243-G275 PolarHBondContact N-O 3.14Å; W243-G275 WeakPolarHBondContact O-CA 3.44Å; S273-G275 PolarHBondContact O-N 3.4Å
276L88.4Confident81.9Confident49 Ų4965.7 Ų65.726%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-128.2121.9-178.9-63.9-177.6000112.6V240 H242 L272 S273 E274V240-L276 HydrophobicContact CG1-CB 4.37Å; V240-L276 HydrophobicContact CG1-CD2 4.07Å; H242-L276 HydrophobicContact CB-CD2 4.18Å; H242-L276 WeakPolarHBondContact ND1-CD2 3.48Å; L272-L276 HydrophobicContact CB-CB 4.28Å; L272-L276 PolarHBondContact N-O 3.43Å; S273-L276 PolarHBondContact N-O 2.84Å; S273-L276 PolarHBondContact O-N 2.91Å; S273-L276 VanDerWaalsContact O-O 3.13Å; S273-L276 WeakPolarHBondContact OG-CD1 3.28Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 2.87Å
277I88.9Confident82.1Confident0 Ų065.4 Ų65.40%035%0.35CS..EExtended strand (participates in β ladder)trans-130.2130.9177.7-58.2158.5000110.4V240 L241 W243 S254 I256 A270 E271 I292V240-I277 WeakPolarHBondContact CA-O 3.48Å; L241-I277 PolarHBondContact N-O 2.8Å; L241-I277 PolarHBondContact O-N 2.65Å; W243-I277 HydrophobicContact CG-CD1 4.48Å; W243-I277 HydrophobicContact CZ2-CD1 4.45Å; S254-I277 VanDerWaalsContact CB-CD1 3.42Å; S254-I277 WeakPolarHBondContact OG-CD1 3.42Å; I256-I277 HydrophobicContact CD1-CB 3.96Å; I256-I277 HydrophobicContact CD1-CD1 4.06Å; I256-I277 HydrophobicContact CD1-CG2 3.45Å; I256-I277 VanDerWaalsContact CD1-CG2 3.45Å; A270-I277 CarbonylContact O-C 3.51Å; A270-I277 WeakPolarHBondContact O-CA 3.33Å; E271-I277 HydrophobicContact CB-CG1 4.49Å; E271-I277 HydrophobicContact CG-CG1 4.46Å; I277-I292 HydrophobicContact CD1-CD1 3.53Å
278R89.5Confident82.7Confident71 Ų7162.7 Ų62.727%0.26834%0.339SS..EExtended strand (participates in β ladder)trans-84.6136.8170.8-160.7-180-175.7-162.410.4111.1D235 S238 A239 G269 A270 L272 E280D235-R278 IonicContact OD2-NH2 2.59Å; D235-R278 PolarHBondContact OD2-NH2 2.66Å; S238-R278 PolarHBondContact OG-NE 2.92Å; S238-R278 VanDerWaalsContact OG-NE 3.09Å; S238-R278 PolarHBondContact OG-NH2 2.82Å; A239-R278 CarbonylContact O-C 3.56Å; A239-R278 WeakPolarHBondContact O-CA 3.2Å; G269-R278 WeakPolarHBondContact CA-O 3.39Å; A270-R278 HydrophobicContact CB-CB 4.47Å; A270-R278 PolarHBondContact N-O 3.24Å; A270-R278 PolarHBondContact O-N 3.42Å; L272-R278 HydrophobicContact CD1-CB 4.12Å; L272-R278 HydrophobicContact CD2-CB 4.36Å; L272-R278 HydrophobicContact CG-CB 4.23Å; R278-E280 WeakPolarHBondContact CD-OE1 3.49Å; R278-E280 HydrophobicContact CG-CG 4.02Å; R278-E280 IonicContact CZ-OE1 2.76Å; R278-E280 IonicContact NE-OE1 3.03Å; R278-E280 IonicContact NH1-OE1 2.78Å; R278-E280 PolarHBondContact NH1-OE1 2.64Å
279V89.6Confident83.8Confident2 Ų259.6 Ų59.61%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-117.7119.7167.2178.30000107.3S238 A239 L241 I256 L258 L282S238-V279 CarbonylContact C-O 3.46Å; S238-V279 WeakPolarHBondContact CA-O 3.26Å; S238-V279 WeakPolarHBondContact CB-O 3.43Å; A239-V279 PolarHBondContact N-O 2.88Å; A239-V279 PolarHBondContact O-N 2.87Å; L241-V279 HydrophobicContact CD1-CB 4.34Å; L241-V279 HydrophobicContact CD1-CG2 3.82Å; I256-V279 HydrophobicContact CD1-CG2 3.68Å; I256-V279 HydrophobicContact CG2-CG2 4.22Å; L258-V279 HydrophobicContact CD2-CG1 3.59Å; V279-L282 HydrophobicContact CG1-CD2 3.86Å; V279-L282 HydrophobicContact CG1-CG 4.33Å
280E87.7Confident85.1Confident86 Ų8658.7 Ų58.740%0.40230%0.301SS..  trans-106.7172.1-179.1-60.7176.5173.500110.7R267 R278R267-E280 PolarHBondContact NH1-O 2.87Å; R278-E280 WeakPolarHBondContact CD-OE1 3.49Å; R278-E280 HydrophobicContact CG-CG 4.02Å; R278-E280 IonicContact CZ-OE1 2.76Å; R278-E280 IonicContact NE-OE1 3.03Å; R278-E280 IonicContact NH1-OE1 2.78Å; R278-E280 PolarHBondContact NH1-OE1 2.64Å
281N85.2Confident86.1Confident130 Ų13057 Ų5770%0.69528%0.284SS*.  trans5748.6179.6-55.4-61.3000112.6T237 R267T237-N281 PolarHBondContact O-N 3.46Å; T237-N281 VanDerWaalsContact O-N 3.1Å; R267-N281 PolarHBondContact NH1-O 3.37Å; R267-N281 PolarHBondContact NH2-O 3.14Å
282L87.3Confident86.7Confident7 Ų752.6 Ų52.64%0.03726%0.263CS..PPolyproline II helixtrans-87.6148.1164.4-58.4178.3000109.2F232 T237 A239 L258 V279 Y288 F290F232-L282 HydrophobicContact CD1-CD1 4.38Å; F232-L282 HydrophobicContact CE1-CD1 3.92Å; T237-L282 WeakPolarHBondContact O-CB 3.46Å; T237-L282 PolarHBondContact O-N 2.96Å; A239-L282 HydrophobicContact CB-CD1 3.65Å; L258-L282 HydrophobicContact CD2-CD2 3.98Å; V279-L282 HydrophobicContact CG1-CD2 3.86Å; V279-L282 HydrophobicContact CG1-CG 4.33Å; L282-Y288 HydrophobicContact CB-CE2 3.91Å; L282-Y288 HydrophobicContact CD2-CD1 4.46Å; L282-Y288 HydrophobicContact CD2-CD2 4.33Å; L282-Y288 HydrophobicContact CD2-CE1 4.21Å; L282-Y288 HydrophobicContact CD2-CE2 4.05Å; L282-Y288 HydrophobicContact CG-CE2 4.49Å; L282-F290 HydrophobicContact CD1-CZ 4.27Å; L282-F290 HydrophobicContact CD2-CE1 4.43Å
283K85.1Confident87.4Confident137 Ų13749.1 Ų49.160%0.59624%0.244SC*.PPolyproline II helixtrans-77.6143.2169.1-65.2-173.8178.5-170.70109.7T286 Y288 S324K283-T286 WeakPolarHBondContact CB-OG1 3.5Å; K283-Y288 PolarHBondContact N-OH 2.74Å; K283-S324 WeakPolarHBondContact O-CB 3.37Å; K283-S324 PolarHBondContact O-OG 3.4Å
284P84.8Confident88.1Confident28 Ų2846.3 Ų46.318%0.18222%0.224CC..THydrogen-bonded Turntrans-62.7166.1166.7-19.233.4000111.7T237 T286 S324 P325 K327 S363T237-P284 HydrophobicContact CG2-CG 4.28Å; P284-T286 PolarHBondContact O-N 3.25Å; P284-T286 PolarHBondContact O-OG1 3.22Å; P284-S324 VanDerWaalsContact C-OG 3.27Å; P284-P325 WeakPolarHBondContact CB-O 3.44Å; P284-K327 HydrophobicContact CB-CB 3.86Å; P284-K327 HydrophobicContact CG-CB 3.47Å; P284-K327 VanDerWaalsContact CG-CB 3.47Å; P284-K327 HydrophobicContact CG-CD 4Å; P284-K327 HydrophobicContact CG-CG 4.23Å; P284-S363 WeakPolarHBondContact CB-OG 3.27Å
285E84.5Confident88.5Confident129 Ų12941.5 Ų41.560%0.60320%0.202SC*.THydrogen-bonded Turntrans51.925.6170.9-148.1-171.9144.400115.4S324 P325E285-S324 WeakPolarHBondContact CA-O 3.49Å; E285-S324 PolarHBondContact N-O 3.3Å; E285-S324 PolarHBondContact N-OG 2.67Å; E285-P325 PolarHBondContact N-O 3.02Å
286T85.8Confident88.4Confident29 Ų2942.9 Ų42.918%0.17821%0.209CC..  trans-119.5126.4-169.5-61.90000110.4K283 P284 Y288 T323 S324K283-T286 WeakPolarHBondContact CB-OG1 3.5Å; P284-T286 PolarHBondContact O-N 3.25Å; P284-T286 PolarHBondContact O-OG1 3.22Å; T286-Y288 HydrophobicContact CG2-CD2 3.95Å; T286-Y288 HydrophobicContact CG2-CE1 4.27Å; T286-Y288 HydrophobicContact CG2-CE2 3.58Å; T286-Y288 HydrophobicContact CG2-CG 4.46Å; T286-Y288 WeakPolarHBondContact O-CD2 3.17Å; T286-Y288 PolarHBondContact O-N 2.69Å; T286-T323 WeakPolarHBondContact O-CA 3.44Å; T286-S324 PolarHBondContact N-OG 3Å; T286-S324 PolarHBondContact O-N 3.03Å; T286-S324 PolarHBondContact O-OG 3.35Å
287E90.8Very high87.5Confident108 Ų10843.8 Ų43.851%0.50522%0.22SC..EExtended strand (participates in β ladder)trans-70.5116.7169.9-168-177.4-152.100109.9R321E287-R321 HydrophobicContact CG-CB 4.39Å; E287-R321 WeakPolarHBondContact OE1-CB 3.18Å; E287-R321 WeakPolarHBondContact OE1-CD 3.38Å; E287-R321 IonicContact OE1-NE 3.28Å
288Y91.9Very high86Confident10 Ų1048.9 Ų48.94%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-107.7131.2174.9-79-75000111.6L258 R259 L282 K283 T286 F290 R321 R322L258-Y288 HydrophobicContact CD1-CD1 3.87Å; L258-Y288 HydrophobicContact CD1-CE1 3.67Å; R259-Y288 WeakPolarHBondContact O-CA 3.34Å; L282-Y288 HydrophobicContact CB-CE2 3.91Å; L282-Y288 HydrophobicContact CD2-CD1 4.46Å; L282-Y288 HydrophobicContact CD2-CD2 4.33Å; L282-Y288 HydrophobicContact CD2-CE1 4.21Å; L282-Y288 HydrophobicContact CD2-CE2 4.05Å; L282-Y288 HydrophobicContact CG-CE2 4.49Å; K283-Y288 PolarHBondContact N-OH 2.74Å; T286-Y288 HydrophobicContact CG2-CD2 3.95Å; T286-Y288 HydrophobicContact CG2-CE1 4.27Å; T286-Y288 HydrophobicContact CG2-CE2 3.58Å; T286-Y288 HydrophobicContact CG2-CG 4.46Å; T286-Y288 WeakPolarHBondContact O-CD2 3.17Å; T286-Y288 PolarHBondContact O-N 2.69Å; Y288-F290 VanDerWaalsContact CB-CZ 3.44Å; Y288-F290 HydrophobicContact CG-CE2 4.47Å; Y288-F290 HydrophobicContact CG-CZ 4.1Å; Y288-R321 CarbonylContact O-C 3.54Å; Y288-R321 VanDerWaalsContact O-CA 3.31Å; Y288-R321 WeakPolarHBondContact O-CA 3.31Å; Y288-R322 PolarHBondContact N-O 2.6Å; Y288-R322 PolarHBondContact O-N 3.4Å
289E93.8Very high83.8Confident21 Ų2151 Ų5110%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-98.5118.7168.4-171.4-176.7170.800110L258 R259 W264 S319 R321L258-E289 CarbonylContact C-O 3.55Å; L258-E289 VanDerWaalsContact CA-O 3.27Å; L258-E289 WeakPolarHBondContact CA-O 3.48Å; R259-E289 HydrophobicContact CB-CB 4.32Å; R259-E289 IonicContact CZ-OE2 3.99Å; R259-E289 PolarHBondContact N-O 3.21Å; R259-E289 IonicContact NE-OE2 3.36Å; R259-E289 PolarHBondContact NE-OE2 2.87Å; R259-E289 IonicContact NH2-OE1 3.46Å; R259-E289 IonicContact NH2-OE2 3.54Å; R259-E289 PolarHBondContact NH2-OE2 3.06Å; R259-E289 PolarHBondContact O-N 3.14Å; W264-E289 HydrophobicContact CH2-CB 4.38Å; W264-E289 HydrophobicContact CH2-CG 3.9Å; E289-S319 WeakPolarHBondContact OE1-CB 3.26Å; E289-S319 PolarHBondContact OE1-OG 2.98Å; E289-R321 HydrophobicContact CB-CG 3.86Å; E289-R321 HydrophobicContact CG-CG 3.86Å
290F93.1Very high81.6Confident0 Ų054.3 Ų54.30%031%0.312CS..EExtended strand (participates in β ladder)trans-108.5139.2-176.8-60.1-87.1000112V230 L241 L258 L282 Y288 V320V230-F290 HydrophobicContact CG1-CD2 4.48Å; V230-F290 HydrophobicContact CG1-CE2 4.13Å; V230-F290 HydrophobicContact CG1-CZ 4.48Å; V230-F290 HydrophobicContact CG2-CD2 4.27Å; L241-F290 HydrophobicContact CD1-CD1 4.24Å; L241-F290 HydrophobicContact CD1-CE1 4.31Å; L241-F290 HydrophobicContact CD2-CB 4Å; L241-F290 HydrophobicContact CD2-CD1 4Å; L241-F290 HydrophobicContact CD2-CG 4.18Å; L258-F290 HydrophobicContact CB-CD1 3.93Å; L258-F290 HydrophobicContact CB-CE1 4.12Å; L258-F290 HydrophobicContact CD2-CE1 4.48Å; L282-F290 HydrophobicContact CD1-CZ 4.27Å; L282-F290 HydrophobicContact CD2-CE1 4.43Å; Y288-F290 VanDerWaalsContact CB-CZ 3.44Å; Y288-F290 HydrophobicContact CG-CE2 4.47Å; Y288-F290 HydrophobicContact CG-CZ 4.1Å; F290-V320 PolarHBondContact N-O 2.68Å; F290-V320 PolarHBondContact O-N 2.92Å
291Q93.9Very high79.4Confident19 Ų1959.9 Ų59.99%0.08934%0.338CS..EExtended strand (participates in β ladder)trans-137.8149.1167.6-68.5-179.8-67.300110.8I256 R257 W264 W316 S317 S319I256-Q291 WeakPolarHBondContact CA-O 3.35Å; R257-Q291 HydrophobicContact CG-CB 3.97Å; R257-Q291 PolarHBondContact N-O 2.86Å; R257-Q291 PolarHBondContact O-N 3.34Å; R257-Q291 VanDerWaalsContact O-O 3.13Å; W264-Q291 HydrophobicContact CH2-CG 4.18Å; Q291-W316 HydrophobicContact CB-CE3 4.15Å; Q291-S317 WeakPolarHBondContact CA-OG 3.38Å; Q291-S317 WeakPolarHBondContact CG-O 3.46Å; Q291-S317 PolarHBondContact NE2-O 2.77Å; Q291-S319 VanDerWaalsContact CD-OG 3.28Å; Q291-S319 WeakPolarHBondContact CG-OG 3.31Å; Q291-S319 PolarHBondContact NE2-OG 2.85Å
292I91.8Very high77Confident0 Ų057.8 Ų57.80%033%0.334CS..EExtended strand (participates in β ladder)trans-128148.6178.7-171.9174.6000110.3P225 V227 W243 Q255 I256 I277 S317P225-I292 HydrophobicContact CB-CG2 4.19Å; P225-I292 HydrophobicContact CG-CG2 3.97Å; V227-I292 HydrophobicContact CG2-CB 4.4Å; V227-I292 HydrophobicContact CG2-CG2 3.61Å; W243-I292 HydrophobicContact CB-CD1 4.07Å; W243-I292 HydrophobicContact CD2-CD1 3.66Å; W243-I292 HydrophobicContact CE3-CD1 4.12Å; W243-I292 HydrophobicContact CG-CD1 3.62Å; Q255-I292 WeakPolarHBondContact O-CA 3.45Å; I256-I292 HydrophobicContact CG1-CB 4.36Å; I256-I292 HydrophobicContact CG1-CD1 4.29Å; I256-I292 HydrophobicContact CG1-CG1 4.07Å; I277-I292 HydrophobicContact CD1-CD1 3.53Å; I292-S317 PolarHBondContact N-OG 2.91Å; I292-S317 WeakPolarHBondContact O-CB 3.47Å; I292-S317 PolarHBondContact O-N 2.76Å
293K90.4Very high74.8Confident29 Ų2965 Ų6513%0.12638%0.378CS..EExtended strand (participates in β ladder)trans-135.6158.4166.968.7179.6178.5-175.60109.9S254 Q255 C313 S314 W316S254-K293 WeakPolarHBondContact CA-O 3.1Å; Q255-K293 HydrophobicContact CB-CG 4.04Å; Q255-K293 PolarHBondContact N-O 3.47Å; Q255-K293 PolarHBondContact O-N 3.27Å; K293-C313 HydrophobicContact CD-CB 4.24Å; K293-S314 WeakPolarHBondContact CA-OG 3.29Å; K293-S314 WeakPolarHBondContact CB-OG 3.34Å; K293-W316 HydrophobicContact CB-CD2 4.2Å; K293-W316 HydrophobicContact CB-CE3 3.87Å; K293-W316 HydrophobicContact CB-CZ3 4.21Å; K293-W316 HydrophobicContact CD-CD2 3.94Å; K293-W316 HydrophobicContact CD-CE3 4.07Å; K293-W316 HydrophobicContact CD-CH2 3.81Å; K293-W316 HydrophobicContact CD-CZ2 3.67Å; K293-W316 HydrophobicContact CD-CZ3 4Å; K293-W316 HydrophobicContact CG-CD2 4.2Å; K293-W316 HydrophobicContact CG-CE3 3.85Å; K293-W316 HydrophobicContact CG-CH2 3.97Å; K293-W316 HydrophobicContact CG-CZ2 4.31Å; K293-W316 HydrophobicContact CG-CZ3 3.72Å
294T88.4Confident72.5Confident0 Ų063 Ų630%038%0.382CS..EExtended strand (participates in β ladder)trans-116.3132.1177.529.40000110.9E223 P225 W243 L252 C313 S314E223-T294 PolarHBondContact O-OG1 2.85Å; P225-T294 WeakPolarHBondContact CD-OG1 3.49Å; P225-T294 HydrophobicContact CG-CG2 4.41Å; W243-T294 HydrophobicContact CH2-CG2 3.59Å; W243-T294 HydrophobicContact CZ3-CG2 3.56Å; L252-T294 HydrophobicContact CB-CG2 4Å; L252-T294 HydrophobicContact CD1-CG2 4.12Å; T294-C313 CarbonylContact O-C 3.5Å; T294-C313 WeakPolarHBondContact O-CA 3.48Å; T294-S314 PolarHBondContact N-OG 2.74Å; T294-S314 PolarHBondContact O-N 3.16Å
295C86.1Confident70.8Confident3 Ų369.6 Ų69.62%0.0241%0.414CS..EExtended strand (participates in β ladder)trans-112.2144.5179.8-61.10000110.7L252 R253 S297 V311 L312 C313L252-C295 CarbonylContact C-O 3.58Å; L252-C295 WeakPolarHBondContact CA-O 3.46Å; R253-C295 PolarHBondContact N-O 3.24Å; R253-C295 PolarHBondContact O-N 2.94Å; C295-S297 PolarHBondContact O-N 3.04Å; C295-V311 HydrophobicContact CB-CG1 3.78Å; C295-L312 CarbonylContact C-O 3.53Å; C295-L312 WeakPolarHBondContact CA-O 3.46Å; C295-C313 HydrophobicContact CB-CB 4.05Å; C295-C313 WeakPolarHBondContact CB-SG 3.4Å; C295-C313 WeakPolarHBondContact SG-CB 3.41Å; C295-C313 CovalentContact SG-SG 2.04Å; C295-C313 PolarHBondContact SG-SG 2.88Å
296S79.5Confident68.8Low42 Ų4273.5 Ų73.529%0.29443%0.429SS..EExtended strand (participates in β ladder)trans-67.1129.5178.553.80000111.5L312S296-L312 PolarHBondContact N-O 3.21Å; S296-L312 PolarHBondContact OG-O 2.66Å
297S68.6Low66.5Low68 Ų6876.1 Ų76.148%0.47645%0.454SS..  trans-90.9109.6178.8-167.10000110.2R251 C295 S299R251-S297 VanDerWaalsContact O-CB 3.25Å; R251-S297 WeakPolarHBondContact O-CB 3.41Å; R251-S297 PolarHBondContact O-N 2.89Å; C295-S297 PolarHBondContact O-N 3.04Å; S297-S299 PolarHBondContact O-N 2.69Å
298T58.3Low64.2Low107 Ų10776.9 Ų76.966%0.65647%0.471SS*.  trans-77.886.2173.855.10000110.2G300T298-G300 PolarHBondContact O-N 3.24Å
299S44.1Very low62.4Low115 Ų11585.6 Ų85.680%0.80450%0.504SS*.  trans-55.7121165.955.90000109.1S297S297-S299 PolarHBondContact O-N 2.69Å
300G41.8Very low60.7Low73 Ų7394.1 Ų94.175%0.75354%0.535SS*.SBendtrans-77.2129.7-156.100000115.6T298T298-G300 PolarHBondContact O-N 3.24Å
301Q42.7Very low59.7Low202 Ų20298.2 Ų98.294%0.94456%0.56SS**  trans-157103.6136.2-107.9177.330.700109.3
302S34.1Very low59.2Low87 Ų8799.4 Ų99.461%0.60857%0.567SS**  trans-159.372.2172-179.30000109.7S304S302-S304 PolarHBondContact O-N 2.87Å
303T40.2Very low59Low159 Ų159101 Ų10198%0.97558%0.578SS**  trans-71.561.9169.241.80000110.8
304S37.5Very low59Low95 Ų95100 Ų10066%0.66457%0.574SS**  trans-141.9116.5174.5-1650000109.5S302S302-S304 PolarHBondContact O-N 2.87Å
305L49.8Very low59.1Low165 Ų165105.6 Ų105.686%0.86460%0.598SS**SBendtrans-72.3147.5177.2-72.3155.4000109.9
306K42.8Very low59.4Low211 Ų211108.5 Ų108.592%0.91761%0.609SS**SBendtrans79.348.5172.7-48.5175.5-177.91770117.4
307A36.1Very low60.1Low85 Ų85106.6 Ų106.670%0.70260%0.596SS**  trans-141.4115.6144.400000110.2R309A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 2.94Å
308S42.4Very low61.3Low123 Ų123107.5 Ų107.586%0.8660%0.6SS**  trans-78.881.8171.7-167.40000108.9R310S308-R310 PolarHBondContact O-N 2.89Å
309R54Low62.9Low193 Ų193104.7 Ų104.773%0.72859%0.585SS**  trans-60.6106.2172.1-98.6-177.7164.4145.3-4.6108.2A307 V311A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 2.94Å; R309-V311 PolarHBondContact O-N 2.89Å
310R59.8Low65.3Low201 Ų201101.1 Ų101.176%0.75856%0.558SS**  trans-56.8125.7175-69.2-179.6176179.8-1.5108.2S308 L312S308-R310 PolarHBondContact O-N 2.89Å; R310-L312 PolarHBondContact O-N 2.85Å; R310-L312 VanDerWaalsContact O-N 3.16Å
311V71Confident67.7Low86 Ų86104.4 Ų104.452%0.52155%0.548SS..  trans-70.4110.9172.1175.80000107.7C295 R309C295-V311 HydrophobicContact CB-CG1 3.78Å; R309-V311 PolarHBondContact O-N 2.89Å
312L83.3Confident70Confident43 Ų43101.7 Ų101.723%0.22553%0.529CS..  trans-73.2129.7179.3-70.2163.6000109.4V220 I221 C295 S296 R310V220-L312 WeakPolarHBondContact O-CD1 3.45Å; I221-L312 HydrophobicContact CG2-CB 4.29Å; I221-L312 HydrophobicContact CG2-CD2 4.07Å; C295-L312 CarbonylContact C-O 3.53Å; C295-L312 WeakPolarHBondContact CA-O 3.46Å; S296-L312 PolarHBondContact N-O 3.21Å; S296-L312 PolarHBondContact OG-O 2.66Å; R310-L312 PolarHBondContact O-N 2.85Å; R310-L312 VanDerWaalsContact O-N 3.16Å
313C87.8Confident72.6Confident35 Ų35101.5 Ų101.524%0.23652%0.524CS..BIsolated β-bridgetrans-128148.2-179.2-57.80000110.6K293 T294 C295K293-C313 HydrophobicContact CD-CB 4.24Å; T294-C313 CarbonylContact O-C 3.5Å; T294-C313 WeakPolarHBondContact O-CA 3.48Å; C295-C313 HydrophobicContact CB-CB 4.05Å; C295-C313 WeakPolarHBondContact CB-SG 3.4Å; C295-C313 WeakPolarHBondContact SG-CB 3.41Å; C295-C313 CovalentContact SG-SG 2.04Å; C295-C313 PolarHBondContact SG-SG 2.88Å
314S90.1Very high74.9Confident7 Ų794.1 Ų94.15%0.04948%0.479CS..PPolyproline II helixtrans-59.5163.3169.477.40000111.2P222 P225 K293 T294P222-S314 WeakPolarHBondContact O-CA 3.37Å; P222-S314 WeakPolarHBondContact O-CB 3.18Å; P225-S314 VanDerWaalsContact CD-OG 3.23Å; P225-S314 WeakPolarHBondContact CD-OG 3.32Å; K293-S314 WeakPolarHBondContact CA-OG 3.29Å; K293-S314 WeakPolarHBondContact CB-OG 3.34Å; T294-S314 PolarHBondContact N-OG 2.74Å; T294-S314 PolarHBondContact O-N 3.16Å
315K90.3Very high77.2Confident117 Ų11792.1 Ų92.151%0.50946%0.464SS..PPolyproline II helixtrans-59.8159.5160.8-72.7169.1169.9164.20110E136 T224E136-K315 WeakPolarHBondContact OE1-CE 3.47Å; E136-K315 IonicContact OE1-NZ 2.75Å; E136-K315 PolarHBondContact OE1-NZ 2.72Å; T224-K315 HydrophobicContact CG2-CB 4.47Å
316W92.8Very high78.8Confident64 Ų6488.3 Ų88.324%0.24244%0.441CS..PPolyproline II helixtrans-68.8140.1173.9-68.9103000110.2Q255 R257 Q266 Q291 K293Q255-W316 WeakPolarHBondContact O-CZ3 3.22Å; R257-W316 HydrophobicContact CB-CH2 3.83Å; R257-W316 HydrophobicContact CB-CZ2 4.42Å; R257-W316 HydrophobicContact CB-CZ3 3.96Å; R257-W316 HydrophobicContact CG-CD2 4.23Å; R257-W316 HydrophobicContact CG-CE3 3.83Å; R257-W316 HydrophobicContact CG-CH2 3.82Å; R257-W316 HydrophobicContact CG-CZ2 4.2Å; R257-W316 HydrophobicContact CG-CZ3 3.63Å; Q266-W316 HydrophobicContact CG-CH2 4.15Å; Q291-W316 HydrophobicContact CB-CE3 4.15Å; K293-W316 HydrophobicContact CB-CD2 4.2Å; K293-W316 HydrophobicContact CB-CE3 3.87Å; K293-W316 HydrophobicContact CB-CZ3 4.21Å; K293-W316 HydrophobicContact CD-CD2 3.94Å; K293-W316 HydrophobicContact CD-CE3 4.07Å; K293-W316 HydrophobicContact CD-CH2 3.81Å; K293-W316 HydrophobicContact CD-CZ2 3.67Å; K293-W316 HydrophobicContact CD-CZ3 4Å; K293-W316 HydrophobicContact CG-CD2 4.2Å; K293-W316 HydrophobicContact CG-CE3 3.85Å; K293-W316 HydrophobicContact CG-CH2 3.97Å; K293-W316 HydrophobicContact CG-CZ2 4.31Å; K293-W316 HydrophobicContact CG-CZ3 3.72Å
317S94.3Very high80.7Confident2 Ų279.7 Ų79.71%0.01440%0.404CS..PPolyproline II helixtrans-56.5160.5174.773.40000111.9P225 Q291 I292P225-S317 WeakPolarHBondContact O-CB 3.47Å; Q291-S317 WeakPolarHBondContact CA-OG 3.38Å; Q291-S317 WeakPolarHBondContact CG-O 3.46Å; Q291-S317 PolarHBondContact NE2-O 2.77Å; I292-S317 PolarHBondContact N-OG 2.91Å; I292-S317 WeakPolarHBondContact O-CB 3.47Å; I292-S317 PolarHBondContact O-N 2.76Å
318P93.8Very high83Confident87 Ų8776.5 Ų76.557%0.56538%0.38SS*.PPolyproline II helixtrans-50.1144.5159.3-24.935.1000111.2
319S92.7Very high85.1Confident49 Ų4970.9 Ų70.934%0.34334%0.34SS..PPolyproline II helixtrans-71.9137.6178.9-65.40000112.4E289 Q291E289-S319 WeakPolarHBondContact OE1-CB 3.26Å; E289-S319 PolarHBondContact OE1-OG 2.98Å; Q291-S319 VanDerWaalsContact CD-OG 3.28Å; Q291-S319 WeakPolarHBondContact CG-OG 3.31Å; Q291-S319 PolarHBondContact NE2-OG 2.85Å
320V93.9Very high86.5Confident39 Ų3965 Ų6524%0.23633%0.328CS..EExtended strand (participates in β ladder)trans-118.5123.1170.21770000109.2V227 V230 F290V227-V320 HydrophobicContact CB-CG2 3.87Å; V227-V320 HydrophobicContact CG1-CB 4.4Å; V227-V320 HydrophobicContact CG1-CG2 4.11Å; V230-V320 HydrophobicContact CG2-CG1 4.08Å; F290-V320 PolarHBondContact N-O 2.68Å; F290-V320 PolarHBondContact O-N 2.92Å
321R92.6Very high87.8Confident142 Ų14261 Ų6154%0.53632%0.318SS..EExtended strand (participates in β ladder)trans-98.6134.8176.3-71.8-169.9-63.5-87.10.5112.4E287 Y288 E289E287-R321 HydrophobicContact CG-CB 4.39Å; E287-R321 WeakPolarHBondContact OE1-CB 3.18Å; E287-R321 WeakPolarHBondContact OE1-CD 3.38Å; E287-R321 IonicContact OE1-NE 3.28Å; Y288-R321 CarbonylContact O-C 3.54Å; Y288-R321 VanDerWaalsContact O-CA 3.31Å; Y288-R321 WeakPolarHBondContact O-CA 3.31Å; E289-R321 HydrophobicContact CB-CG 3.86Å; E289-R321 HydrophobicContact CG-CG 3.86Å
322R90.8Very high88.8Confident146 Ų14662.7 Ų62.755%0.55132%0.321SS*.EExtended strand (participates in β ladder)trans-150.9136.1172-74.1-57.8-176.7-141.53.5111.7V230 F232 Y288V230-R322 HydrophobicContact CB-CG 4.17Å; F232-R322 HydrophobicContact CE2-CB 3.92Å; F232-R322 HydrophobicContact CZ-CB 4.11Å; Y288-R322 PolarHBondContact N-O 2.6Å; Y288-R322 PolarHBondContact O-N 3.4Å
323T89.6Confident89.2Confident82 Ų8261.2 Ų61.250%0.50331%0.313SS..EExtended strand (participates in β ladder)trans-79.3133169.8-38.10000110.7F232 T286F232-T323 WeakPolarHBondContact CE2-O 3.21Å; F232-T323 WeakPolarHBondContact CZ-O 3.33Å; T286-T323 WeakPolarHBondContact O-CA 3.44Å
324S88.6Confident89.5Confident5 Ų564.8 Ų64.84%0.03533%0.326CS..PPolyproline II helixtrans-68.8146168.642.60000111.5K283 P284 E285 T286K283-S324 WeakPolarHBondContact O-CB 3.37Å; K283-S324 PolarHBondContact O-OG 3.4Å; P284-S324 VanDerWaalsContact C-OG 3.27Å; E285-S324 WeakPolarHBondContact CA-O 3.49Å; E285-S324 PolarHBondContact N-O 3.3Å; E285-S324 PolarHBondContact N-OG 2.67Å; T286-S324 PolarHBondContact N-OG 3Å; T286-S324 PolarHBondContact O-N 3.03Å; T286-S324 PolarHBondContact O-OG 3.35Å
325P85.6Confident89.7Confident52 Ų5265.2 Ų65.234%0.33833%0.328SS..PPolyproline II helixtrans-67.8166.6176.328.4-34.4000112.2F232 P284 E285F232-P325 HydrophobicContact CB-CG 3.99Å; F232-P325 VanDerWaalsContact CG-CD 3.47Å; F232-P325 HydrophobicContact CG-CG 4.32Å; P284-P325 WeakPolarHBondContact CB-O 3.44Å; E285-P325 PolarHBondContact N-O 3.02Å
326E82.9Confident89.8Confident85 Ų8560 Ų6040%0.39731%0.305SS..PPolyproline II helixtrans-63.7153.8169.4-59.3170.8-14100110.8S236 G364 S406 S407S236-E326 VanDerWaalsContact CB-O 3.31Å; S236-E326 WeakPolarHBondContact CB-O 3.48Å; S236-E326 PolarHBondContact OG-O 3.33Å; E326-G364 WeakPolarHBondContact OE2-CA 3.4Å; E326-S406 WeakPolarHBondContact OE2-CB 3.05Å; E326-S406 PolarHBondContact OE2-OG 3.42Å; E326-S407 WeakPolarHBondContact CB-OG 3.46Å; E326-S407 PolarHBondContact OE2-OG 2.9Å; E326-S407 VanDerWaalsContact OE2-OG 3.04Å
327K83.3Confident89.8Confident30 Ų3057.4 Ų57.413%0.1330%0.295CS..  trans-111.7124.7-178.7-173.3-163.2175.1-129.50110.6T237 P284 S330 D361 Y362 S363 S407T237-K327 HydrophobicContact CG2-CD 4.1Å; P284-K327 HydrophobicContact CB-CB 3.86Å; P284-K327 HydrophobicContact CG-CB 3.47Å; P284-K327 VanDerWaalsContact CG-CB 3.47Å; P284-K327 HydrophobicContact CG-CD 4Å; P284-K327 HydrophobicContact CG-CG 4.23Å; K327-S330 PolarHBondContact NZ-OG 3.06Å; K327-D361 PolarHBondContact NZ-O 3.5Å; K327-D361 IonicContact NZ-OD1 2.9Å; K327-D361 PolarHBondContact NZ-OD1 3.22Å; K327-D361 VanDerWaalsContact NZ-OD1 3.14Å; K327-Y362 CarbonylContact O-C 3.6Å; K327-Y362 VanDerWaalsContact O-CA 3.29Å; K327-Y362 WeakPolarHBondContact O-CA 3.4Å; K327-Y362 WeakPolarHBondContact O-CB 3.37Å; K327-S363 PolarHBondContact O-N 3.42Å; K327-S407 VanDerWaalsContact C-CB 3.43Å; K327-S407 WeakPolarHBondContact O-CB 3.44Å
328G83.1Confident89.6Confident19 Ų1959 Ų5920%0.19631%0.306CS..  trans-68.7151.4168.400000112.1S330G328-S330 PolarHBondContact O-N 3.38Å
329P86.5Confident89.2Confident5 Ų557.8 Ų57.83%0.03229%0.292CS..  trans-55.3125.1177-21.130.5000111.1D361 Y362 V403 T405 S410 P411P329-D361 WeakPolarHBondContact CA-OD2 3.35Å; P329-Y362 HydrophobicContact CG-CG 4.15Å; P329-V403 HydrophobicContact CB-CG1 4.1Å; P329-V403 HydrophobicContact CG-CG1 3.93Å; P329-T405 HydrophobicContact CG-CG2 3.66Å; P329-S410 WeakPolarHBondContact O-CA 3.47Å; P329-P411 WeakPolarHBondContact O-CD 3.34Å
330S84.7Confident88.3Confident68 Ų6857.1 Ų57.148%0.47629%0.293SS..  trans-97.7-12.5-174.268.50000114K327 G328 D361K327-S330 PolarHBondContact NZ-OG 3.06Å; G328-S330 PolarHBondContact O-N 3.38Å; S330-D361 WeakPolarHBondContact CB-OD1 3.48Å; S330-D361 VanDerWaalsContact N-CG 3.27Å; S330-D361 PolarHBondContact N-OD1 3.36Å; S330-D361 PolarHBondContact N-OD2 3.02Å; S330-D361 PolarHBondContact OG-OD1 3.3Å
331Q87.5Confident87Confident118 Ų11858.5 Ų58.555%0.55132%0.316SS*.SBendtrans-100.6150.6178.3-60.9-173.412.900112.5D361Q331-D361 PolarHBondContact N-OD2 2.97Å
332Q90.9Very high85.4Confident122 Ų12260.7 Ų60.757%0.5733%0.332SS*.PPolyproline II helixtrans-68137.9168.1-76-179.1-14.600110.2P411 P412 A413Q332-P411 HydrophobicContact CG-CB 3.86Å; Q332-P412 PolarHBondContact NE2-O 2.78Å; Q332-A413 HydrophobicContact CB-CB 4.22Å
333L92.6Very high84.1Confident11 Ų1156.6 Ų56.66%0.05833%0.329CS..PPolyproline II helixtrans-58.3140.3174.2-70.8175.6000112V335 Y369 V401 V403 A413L333-V335 HydrophobicContact CB-CG1 3.93Å; L333-V335 PolarHBondContact O-N 3.13Å; L333-Y369 HydrophobicContact CD1-CD1 3.8Å; L333-Y369 HydrophobicContact CD1-CE1 3.97Å; L333-Y369 HydrophobicContact CD2-CE1 4.22Å; L333-V401 HydrophobicContact CD1-CB 4.46Å; L333-V401 HydrophobicContact CD1-CG1 3.89Å; L333-V403 HydrophobicContact CD1-CB 4.06Å; L333-V403 HydrophobicContact CD1-CG1 4.24Å; L333-V403 HydrophobicContact CD2-CB 4.16Å; L333-V403 HydrophobicContact CD2-CG1 3.76Å; L333-V403 HydrophobicContact CG-CB 4.43Å; L333-V403 HydrophobicContact CG-CG1 4.08Å; L333-A413 HydrophobicContact CB-CB 4.09Å; L333-A413 WeakPolarHBondContact O-CB 3.23Å
334H92.4Very high82.8Confident111 Ų11160.5 Ų60.551%0.51434%0.339SS..  trans-75.9110.4165.3-77178.7000109.1W354 K355 W468H334-W354 CarbonylContact O-C 3.51Å; H334-W354 VanDerWaalsContact O-CA 3.25Å; H334-W354 WeakPolarHBondContact O-CA 3.25Å; H334-K355 HydrophobicContact CB-CB 4.25Å; H334-K355 HydrophobicContact CB-CG 4.26Å; H334-K355 PolarHBondContact O-N 3.27Å; H334-W468 HydrophobicContact CB-CH2 4.05Å; H334-W468 WeakPolarHBondContact O-CH2 3.32Å
335V94.1Very high81.8Confident15 Ų1569.3 Ų69.39%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-119.7150.8-172.7-68.90000113.5L333 F353 W354 V401 A413 V415L333-V335 HydrophobicContact CB-CG1 3.93Å; L333-V335 PolarHBondContact O-N 3.13Å; V335-F353 CarbonylContact C-O 3.6Å; V335-F353 WeakPolarHBondContact CA-O 3.27Å; V335-W354 HydrophobicContact CG1-CB 4.23Å; V335-V401 HydrophobicContact CG1-CB 3.82Å; V335-V401 HydrophobicContact CG1-CG1 4.38Å; V335-V401 HydrophobicContact CG1-CG2 3.79Å; V335-A413 HydrophobicContact CG1-CB 3.89Å; V335-A413 HydrophobicContact CG2-CB 3.84Å; V335-V415 HydrophobicContact CB-CG2 3.67Å; V335-V415 HydrophobicContact CG1-CG2 4.36Å; V335-V415 HydrophobicContact CG2-CG2 3.46Å; V335-V415 VanDerWaalsContact CG2-CG2 3.46Å
336W93.9Very high81.4Confident9 Ų969 Ų693%0.03439%0.386CS..EExtended strand (participates in β ladder)trans-149.3170.9171.7-172.7-126.5000111.5V352 F353 V455 E457 W468 Y494 V496 V501W336-V352 WeakPolarHBondContact O-CA 3.2Å; W336-F353 PolarHBondContact N-O 2.91Å; W336-F353 PolarHBondContact O-N 3.14Å; W336-V455 HydrophobicContact CD2-CB 4.37Å; W336-V455 HydrophobicContact CD2-CG1 3.8Å; W336-V455 HydrophobicContact CD2-CG2 4.32Å; W336-V455 HydrophobicContact CE3-CB 4.18Å; W336-V455 HydrophobicContact CE3-CG1 4.07Å; W336-V455 HydrophobicContact CE3-CG2 3.72Å; W336-V455 HydrophobicContact CG-CG1 4.26Å; W336-V455 HydrophobicContact CH2-CB 3.92Å; W336-V455 HydrophobicContact CH2-CG1 4.29Å; W336-V455 HydrophobicContact CH2-CG2 4.03Å; W336-V455 HydrophobicContact CZ2-CB 4.12Å; W336-V455 HydrophobicContact CZ2-CG1 4.04Å; W336-V455 HydrophobicContact CZ3-CB 3.97Å; W336-V455 HydrophobicContact CZ3-CG1 4.31Å; W336-V455 HydrophobicContact CZ3-CG2 3.56Å; W336-E457 PolarHBondContact NE1-OE2 2.92Å; W336-W468 HydrophobicContact CB-CD2 3.5Å; W336-W468 VanDerWaalsContact CB-CD2 3.5Å; W336-W468 HydrophobicContact CB-CE3 3.74Å; W336-W468 HydrophobicContact CB-CG 4Å; W336-W468 HydrophobicContact CB-CH2 4.06Å; W336-W468 HydrophobicContact CB-CZ2 3.83Å; W336-W468 HydrophobicContact CB-CZ3 4.02Å; W336-W468 AromaticContact CD1-CG 3.79Å; W336-W468 HydrophobicContact CG-CD2 4.02Å; W336-W468 HydrophobicContact CG-CE3 4.23Å; W336-W468 HydrophobicContact CG-CG 4.12Å; W336-Y494 HydrophobicContact CH2-CD1 4.29Å; W336-Y494 HydrophobicContact CH2-CD2 4.25Å; W336-Y494 AromaticContact CH2-CG 3.93Å; W336-Y494 HydrophobicContact CH2-CG 3.93Å; W336-Y494 HydrophobicContact CZ2-CD1 4.15Å; W336-Y494 AromaticContact CZ2-CD2 3.64Å; W336-Y494 HydrophobicContact CZ2-CD2 3.64Å; W336-Y494 HydrophobicContact CZ2-CE1 4.41Å; W336-Y494 AromaticContact CZ2-CE2 3.95Å; W336-Y494 HydrophobicContact CZ2-CE2 3.95Å; W336-Y494 AromaticContact CZ2-CG 3.74Å; W336-Y494 HydrophobicContact CZ2-CG 3.74Å; W336-V496 HydrophobicContact CH2-CG2 4.47Å; W336-V496 HydrophobicContact CZ3-CG2 4.07Å; W336-V501 HydrophobicContact CH2-CG1 3.88Å
337R92.3Very high81.4Confident9 Ų968.4 Ų68.43%0.03439%0.385CS..EExtended strand (participates in β ladder)trans-152.2138-179.86599-172.2108.8-13.1114.4V350 T351 V415 D416 L417 V501R337-V350 HydrophobicContact CB-CG1 4.18Å; R337-T351 CarbonylContact C-O 3.57Å; R337-T351 VanDerWaalsContact CA-O 3.24Å; R337-T351 WeakPolarHBondContact CA-O 3.48Å; R337-V415 HydrophobicContact CB-CG1 3.83Å; R337-V415 HydrophobicContact CG-CG1 3.5Å; R337-D416 PolarHBondContact NE-O 2.87Å; R337-L417 HydrophobicContact CG-CD2 4.13Å; R337-V501 VanDerWaalsContact NH2-CG2 3.28Å
338S89.1Confident81.6Confident34 Ų3468.4 Ų68.424%0.23838%0.384CS..EExtended strand (participates in β ladder)trans-110.7163.6164.673.70000111.1T351 F353S338-T351 PolarHBondContact N-O 2.72Å; S338-T351 PolarHBondContact O-N 3.29Å; S338-F353 WeakPolarHBondContact OG-CE2 3.19Å
339F86.2Confident81.9Confident62 Ų6269.9 Ų69.927%0.27239%0.388SS..EExtended strand (participates in β ladder)trans-107.7137.3174.3-63.7-62.8000109.9V350 L417 H419F339-V350 HydrophobicContact CD1-CG1 4.39Å; F339-V350 HydrophobicContact CD1-CG2 3.99Å; F339-V350 HydrophobicContact CE1-CG1 4.22Å; F339-V350 HydrophobicContact CE1-CG2 3.91Å; F339-L417 HydrophobicContact CE1-CD2 4.38Å; F339-L417 HydrophobicContact CZ-CB 4.37Å; F339-H419 AromaticContact CD2-CE1 3.79Å; F339-H419 AromaticContact CD2-NE2 3.79Å; F339-H419 AromaticContact CE2-CE1 3.3Å; F339-H419 WeakPolarHBondContact CE2-CE1 3.36Å; F339-H419 AromaticContact CE2-NE2 3.41Å; F339-H419 WeakPolarHBondContact CE2-NE2 3.22Å
340G74.1Confident82.1Confident35 Ų3569.6 Ų69.636%0.36139%0.386SS..  trans-76.4-178.8173.900000113.2N349G340-N349 PolarHBondContact N-O 2.87Å
341G66.6Low82.5Confident69 Ų6967.2 Ų67.271%0.71137%0.368SS*.SBendtrans-58.1166.4175.400000114.2
342Q59.8Low82.8Confident188 Ų18861.6 Ų61.688%0.87934%0.342SS*.  trans-35.1131.1-163.8-81.7-171.3-21.500116.6K344Q342-K344 PolarHBondContact O-N 3.44Å
343A62.1Low82.9Confident60 Ų6056.5 Ų56.550%0.49632%0.318SS..  trans-59.5114175.200000111.9L347 R348A343-L347 CarbonylContact C-O 3.5Å; A343-L347 WeakPolarHBondContact CA-O 3.4Å; A343-L347 WeakPolarHBondContact CB-O 3.43Å; A343-R348 HydrophobicContact CB-CB 4.38Å
344K61.9Low82.9Confident163 Ų16356.3 Ų56.371%0.70932%0.317SS*.BIsolated β-bridgetrans-94.4135.3173.9-67.4-174.6177.2-177.70109.4Q342 G346 L347Q342-K344 PolarHBondContact O-N 3.44Å; K344-G346 PolarHBondContact O-N 2.96Å; K344-G346 VanDerWaalsContact O-N 3.15Å; K344-L347 PolarHBondContact N-O 3.47Å; K344-L347 PolarHBondContact O-N 2.87Å; K344-L347 VanDerWaalsContact O-N 3.12Å
345H69.2Low82.9Confident190 Ų19054.7 Ų54.788%0.8831%0.308SS*.THydrogen-bonded Turntrans52.633.3176.6-51.8-79.8000115.3L347H345-L347 VanDerWaalsContact C-N 3.26Å; H345-L347 PolarHBondContact O-N 3Å
346G76.9Confident82.7Confident47 Ų4758.2 Ų58.249%0.48533%0.332SS..THydrogen-bonded Turntrans77.83.2178.500000115.5K344 V394K344-G346 PolarHBondContact O-N 2.96Å; K344-G346 VanDerWaalsContact O-N 3.15Å; G346-V394 WeakPolarHBondContact O-CG2 3.48Å; G346-V394 PolarHBondContact O-N 2.95Å
347L83Confident82.4Confident71 Ų7158.5 Ų58.537%0.37233%0.334SS..EExtended strand (participates in β ladder)trans-94.5137.1168.5-66.1168.5000109.9A343 K344 H345 P393A343-L347 CarbonylContact C-O 3.5Å; A343-L347 WeakPolarHBondContact CA-O 3.4Å; A343-L347 WeakPolarHBondContact CB-O 3.43Å; K344-L347 PolarHBondContact N-O 3.47Å; K344-L347 PolarHBondContact O-N 2.87Å; K344-L347 VanDerWaalsContact O-N 3.12Å; H345-L347 VanDerWaalsContact C-N 3.26Å; H345-L347 PolarHBondContact O-N 3Å; L347-P393 HydrophobicContact CD2-CB 4.5Å; L347-P393 HydrophobicContact CD2-CG 4.05Å
348R87.3Confident82.1Confident31 Ų3161 Ų6112%0.11735%0.351CS..EExtended strand (participates in β ladder)trans-111.3135.5170.750.9168.7168.8-176-7.4110.3A343 V350 A392 V394 V396 L417A343-R348 HydrophobicContact CB-CB 4.38Å; R348-V350 HydrophobicContact CG-CG2 4.16Å; R348-V350 PolarHBondContact O-N 2.85Å; R348-A392 HydrophobicContact CG-CB 4.42Å; R348-A392 WeakPolarHBondContact CG-O 3.4Å; R348-A392 PolarHBondContact N-O 2.78Å; R348-A392 PolarHBondContact O-N 3.39Å; R348-V394 HydrophobicContact CB-CG2 4.28Å; R348-V394 HydrophobicContact CG-CG2 4.1Å; R348-V396 PolarHBondContact NH2-O 3.01Å; R348-L417 PolarHBondContact NH1-O 3.32Å; R348-L417 VanDerWaalsContact NH2-CB 3.29Å; R348-L417 PolarHBondContact NH2-O 2.81Å
349N89.6Confident81.7Confident49 Ų4964.6 Ų64.626%0.26237%0.372SS..EExtended strand (participates in β ladder)trans-76.7121.9169.7-169.610.2000109.1G340 I390G340-N349 PolarHBondContact N-O 2.87Å; N349-I390 WeakPolarHBondContact CA-O 3.18Å; N349-I390 PolarHBondContact OD1-O 2.97Å
350V90.9Very high81.4Confident0 Ų069.4 Ų69.40%040%0.395CS..EExtended strand (participates in β ladder)trans-117.7116.9178.5-1720000108R337 F339 R348 V352 S389 I390 A392 L417R337-V350 HydrophobicContact CB-CG1 4.18Å; F339-V350 HydrophobicContact CD1-CG1 4.39Å; F339-V350 HydrophobicContact CD1-CG2 3.99Å; F339-V350 HydrophobicContact CE1-CG1 4.22Å; F339-V350 HydrophobicContact CE1-CG2 3.91Å; R348-V350 HydrophobicContact CG-CG2 4.16Å; R348-V350 PolarHBondContact O-N 2.85Å; V350-V352 HydrophobicContact CG1-CG2 4.15Å; V350-S389 WeakPolarHBondContact O-CA 3.34Å; V350-I390 HydrophobicContact CB-CG1 4.11Å; V350-I390 PolarHBondContact N-O 2.62Å; V350-I390 PolarHBondContact O-N 2.92Å; V350-A392 HydrophobicContact CG2-CB 3.92Å; V350-L417 HydrophobicContact CG1-CD2 3.87Å
351T92.2Very high81.8Confident17 Ų1768.1 Ų68.110%0.10438%0.38CS..EExtended strand (participates in β ladder)trans-94110.3171.1-55.30000108.3R337 S338 F353 Q387 C388 S389R337-T351 CarbonylContact C-O 3.57Å; R337-T351 VanDerWaalsContact CA-O 3.24Å; R337-T351 WeakPolarHBondContact CA-O 3.48Å; S338-T351 PolarHBondContact N-O 2.72Å; S338-T351 PolarHBondContact O-N 3.29Å; T351-F353 HydrophobicContact CG2-CD2 4.37Å; T351-F353 HydrophobicContact CG2-CE1 3.99Å; T351-F353 HydrophobicContact CG2-CE2 3.69Å; T351-F353 HydrophobicContact CG2-CZ 3.47Å; T351-F353 VanDerWaalsContact CG2-CZ 3.47Å; T351-F353 WeakPolarHBondContact O-CD2 3.03Å; T351-F353 WeakPolarHBondContact O-CE2 3.14Å; T351-Q387 HydrophobicContact CG2-CB 4.42Å; T351-C388 CarbonylContact C-O 3.51Å; T351-C388 WeakPolarHBondContact CA-O 3.37Å; T351-S389 PolarHBondContact OG1-OG 3.47Å
352V93.6Very high82.6Confident0 Ų066.7 Ų66.70%035%0.354CS..EExtended strand (participates in β ladder)trans-90.6135.6174.9-171.60000108.2W336 V350 W354 I371 Q387 C388 L399 V401W336-V352 WeakPolarHBondContact O-CA 3.2Å; V350-V352 HydrophobicContact CG1-CG2 4.15Å; V352-W354 HydrophobicContact CB-CZ3 4.47Å; V352-W354 HydrophobicContact CG1-CE3 4.27Å; V352-I371 HydrophobicContact CB-CD1 4.19Å; V352-I371 HydrophobicContact CG2-CD1 4.3Å; V352-Q387 CarbonylContact O-C 3.57Å; V352-Q387 WeakPolarHBondContact O-CA 3.41Å; V352-C388 PolarHBondContact N-O 3.02Å; V352-C388 PolarHBondContact O-N 2.78Å; V352-L399 HydrophobicContact CG1-CD1 4.24Å; V352-L399 HydrophobicContact CG2-CD1 4Å; V352-L399 HydrophobicContact CG2-CD2 3.66Å; V352-V401 HydrophobicContact CG1-CG2 3.79Å
353F93.3Very high83.6Confident16 Ų1659 Ų597%0.0732%0.32CS..EExtended strand (participates in β ladder)trans-119.8145.5176.8-55.9-96.4000109.1V335 W336 S338 T351 S386 Q387 L466V335-F353 CarbonylContact C-O 3.6Å; V335-F353 WeakPolarHBondContact CA-O 3.27Å; W336-F353 PolarHBondContact N-O 2.91Å; W336-F353 PolarHBondContact O-N 3.14Å; S338-F353 WeakPolarHBondContact OG-CE2 3.19Å; T351-F353 HydrophobicContact CG2-CD2 4.37Å; T351-F353 HydrophobicContact CG2-CE1 3.99Å; T351-F353 HydrophobicContact CG2-CE2 3.69Å; T351-F353 HydrophobicContact CG2-CZ 3.47Å; T351-F353 VanDerWaalsContact CG2-CZ 3.47Å; T351-F353 WeakPolarHBondContact O-CD2 3.03Å; T351-F353 WeakPolarHBondContact O-CE2 3.14Å; F353-S386 WeakPolarHBondContact CA-O 3.43Å; F353-Q387 HydrophobicContact CD1-CB 3.67Å; F353-Q387 HydrophobicContact CE1-CB 4.03Å; F353-Q387 HydrophobicContact CG-CB 4.36Å; F353-L466 HydrophobicContact CD2-CD2 4.4Å; F353-L466 HydrophobicContact CE1-CB 4.36Å; F353-L466 HydrophobicContact CE1-CD2 4.26Å; F353-L466 HydrophobicContact CE2-CD2 3.71Å; F353-L466 HydrophobicContact CZ-CB 4.38Å; F353-L466 HydrophobicContact CZ-CD2 3.62Å
354W93.3Very high84.3Confident6 Ų657.6 Ų57.62%0.02331%0.312CS..EExtended strand (participates in β ladder)trans-139.2160.8173.554.187.5000111.3H334 V335 V352 Y369 I371 C381 S385 S386 C388 V401H334-W354 CarbonylContact O-C 3.51Å; H334-W354 VanDerWaalsContact O-CA 3.25Å; H334-W354 WeakPolarHBondContact O-CA 3.25Å; V335-W354 HydrophobicContact CG1-CB 4.23Å; V352-W354 HydrophobicContact CB-CZ3 4.47Å; V352-W354 HydrophobicContact CG1-CE3 4.27Å; W354-Y369 AromaticContact CD1-CD1 3.78Å; W354-Y369 AromaticContact CD1-CE1 3.36Å; W354-Y369 AromaticContact CD1-CZ 3.55Å; W354-Y369 HydrophobicContact CD2-CD1 4.33Å; W354-Y369 HydrophobicContact CD2-CG 4.46Å; W354-Y369 AromaticContact CE2-CD1 3.86Å; W354-Y369 AromaticContact CE2-CD2 3.73Å; W354-Y369 AromaticContact CE2-CG 3.64Å; W354-Y369 HydrophobicContact CG-CD1 4.29Å; W354-Y369 HydrophobicContact CG-CE1 4.2Å; W354-Y369 HydrophobicContact CZ2-CD1 4.41Å; W354-Y369 AromaticContact CZ2-CD2 3.7Å; W354-Y369 HydrophobicContact CZ2-CD2 3.7Å; W354-Y369 HydrophobicContact CZ2-CE2 4.33Å; W354-Y369 AromaticContact CZ2-CG 3.75Å; W354-Y369 HydrophobicContact CZ2-CG 3.75Å; W354-Y369 AromaticContact NE1-CD1 3.5Å; W354-Y369 AromaticContact NE1-CD2 3.43Å; W354-Y369 AromaticContact NE1-CE1 3.31Å; W354-Y369 VanDerWaalsContact NE1-CE1 3.31Å; W354-Y369 AromaticContact NE1-CE2 3.25Å; W354-Y369 AromaticContact NE1-CG 3.56Å; W354-Y369 AromaticContact NE1-CZ 3.19Å; W354-I371 HydrophobicContact CZ3-CD1 4.09Å; W354-C381 HydrophobicContact CH2-CB 3.72Å; W354-C381 HydrophobicContact CZ2-CB 4.16Å; W354-S385 VanDerWaalsContact CE2-O 3.3Å; W354-S385 VanDerWaalsContact CZ2-O 3.26Å; W354-S385 WeakPolarHBondContact CZ2-O 3.47Å; W354-S385 PolarHBondContact NE1-O 3.11Å; W354-S386 PolarHBondContact N-O 2.93Å; W354-C388 HydrophobicContact CH2-CB 3.68Å; W354-C388 HydrophobicContact CZ3-CB 3.83Å; W354-V401 HydrophobicContact CE3-CG1 4.39Å
355K91.4Very high85.5Confident78 Ų7856.6 Ų56.634%0.33931%0.31SS..PPolyproline II helixtrans-99.5136.9167.4-50.6-160.2178-156.30108H334 W468H334-K355 HydrophobicContact CB-CB 4.25Å; H334-K355 HydrophobicContact CB-CG 4.26Å; H334-K355 PolarHBondContact O-N 3.27Å; K355-W468 HydrophobicContact CD-CH2 4.45Å; K355-W468 HydrophobicContact CD-CZ2 4.38Å; K355-W468 WeakPolarHBondContact CE-O 3.1Å; K355-W468 HydrophobicContact CG-CH2 4.13Å; K355-W468 HydrophobicContact CG-CZ2 3.79Å; K355-W468 PolarHBondContact NZ-O 3.06Å
356P89.2Confident86.4Confident89 Ų8949 Ų4958%0.57828%0.275SS*.PPolyproline II helixtrans-60.7149.2178.426.8-34.7000110.4
357P88.8Confident87.1Confident14 Ų1451 Ų519%0.09128%0.275CS..PPolyproline II helixtrans-62143.7173.728.5-35.6000110.3Y362 L366 V403P357-Y362 HydrophobicContact CB-CD1 4.12Å; P357-Y362 HydrophobicContact CB-CE1 4.06Å; P357-Y362 HydrophobicContact CG-CD1 4.05Å; P357-Y362 HydrophobicContact CG-CE1 3.65Å; P357-L366 HydrophobicContact CG-CD1 3.98Å; P357-V403 HydrophobicContact CG-CG1 4.19Å; P357-V403 HydrophobicContact CG-CG2 4.36Å
358P86.1Confident87.6Confident61 Ų6152 Ų5240%0.39627%0.274SS..PPolyproline II helixtrans-64.2146.5172.528.7-32.9000110E360 D361 Y362P358-E360 WeakPolarHBondContact CB-OE2 3.16Å; P358-E360 PolarHBondContact O-N 2.54Å; P358-E360 VanDerWaalsContact O-N 3.17Å; P358-D361 HydrophobicContact CG-CB 3.99Å; P358-D361 PolarHBondContact O-N 3.05Å; P358-Y362 WeakPolarHBondContact O-CD1 3.44Å
359V80.6Confident88Confident110 Ų11050.7 Ų50.767%0.66727%0.269SS*.G310 helixtrans-65.1-23.6-172.3-171.90000111.3D361 Y362V359-D361 VanDerWaalsContact C-N 3.31Å; V359-D361 PolarHBondContact O-N 2.88Å; V359-Y362 VanDerWaalsContact O-O 3.04Å
360E80.3Confident88.2Confident164 Ų16448.8 Ų48.877%0.76626%0.259SS*.G310 helixtrans-76.5-13177.1-5577.3-171.700113.6P358P358-E360 WeakPolarHBondContact CB-OE2 3.16Å; P358-E360 PolarHBondContact O-N 2.54Å; P358-E360 VanDerWaalsContact O-N 3.17Å
361D82.9Confident88.4Confident7 Ų748.8 Ų48.84%0.03726%0.259CS..G310 helixtrans-86.2-16179.3-172.241.7000113.4K327 P329 S330 Q331 P358 V359K327-D361 PolarHBondContact NZ-O 3.5Å; K327-D361 IonicContact NZ-OD1 2.9Å; K327-D361 PolarHBondContact NZ-OD1 3.22Å; K327-D361 VanDerWaalsContact NZ-OD1 3.14Å; P329-D361 WeakPolarHBondContact CA-OD2 3.35Å; S330-D361 WeakPolarHBondContact CB-OD1 3.48Å; S330-D361 VanDerWaalsContact N-CG 3.27Å; S330-D361 PolarHBondContact N-OD1 3.36Å; S330-D361 PolarHBondContact N-OD2 3.02Å; S330-D361 PolarHBondContact OG-OD1 3.3Å; Q331-D361 PolarHBondContact N-OD2 2.97Å; P358-D361 HydrophobicContact CG-CB 3.99Å; P358-D361 PolarHBondContact O-N 3.05Å; V359-D361 VanDerWaalsContact C-N 3.31Å; V359-D361 PolarHBondContact O-N 2.88Å
362Y83.5Confident88.5Confident40 Ų4050.3 Ų50.316%0.15727%0.268CS..  trans-143.2177.6-178.270.6-78.2000112.3K327 P329 P357 P358 V359 L366 T405K327-Y362 CarbonylContact O-C 3.6Å; K327-Y362 VanDerWaalsContact O-CA 3.29Å; K327-Y362 WeakPolarHBondContact O-CA 3.4Å; K327-Y362 WeakPolarHBondContact O-CB 3.37Å; P329-Y362 HydrophobicContact CG-CG 4.15Å; P357-Y362 HydrophobicContact CB-CD1 4.12Å; P357-Y362 HydrophobicContact CB-CE1 4.06Å; P357-Y362 HydrophobicContact CG-CD1 4.05Å; P357-Y362 HydrophobicContact CG-CE1 3.65Å; P358-Y362 WeakPolarHBondContact O-CD1 3.44Å; V359-Y362 VanDerWaalsContact O-O 3.04Å; Y362-L366 HydrophobicContact CE2-CB 4.35Å; Y362-T405 HydrophobicContact CD2-CG2 3.73Å; Y362-T405 HydrophobicContact CE2-CG2 4.11Å; Y362-T405 HydrophobicContact CG-CG2 4.32Å
363S79Confident88.4Confident25 Ų2550.5 Ų50.518%0.17527%0.269CS..  trans-145.1162.7169.5-44.40000108.2P284 K327 S407P284-S363 WeakPolarHBondContact CB-OG 3.27Å; K327-S363 PolarHBondContact O-N 3.42Å; S363-S407 PolarHBondContact O-OG 2.88Å
364G78.3Confident88.2Confident32 Ų3254.5 Ų54.533%0.3329%0.288SS..SBendtrans78.1-173-169.100000114.1E326 S406E326-G364 WeakPolarHBondContact OE2-CA 3.4Å; G364-S406 WeakPolarHBondContact CA-OG 3.34Å
365E85.9Confident87.8Confident142 Ų14257.9 Ų57.966%0.66431%0.307SS*.  trans-88.6138.6-168.5-172.1176-168.300112.9L367 T405 S406E365-L367 HydrophobicContact CB-CD2 4.25Å; E365-L367 HydrophobicContact CG-CD2 4.15Å; E365-L367 PolarHBondContact O-N 2.94Å; E365-T405 CarbonylContact O-C 3.57Å; E365-T405 WeakPolarHBondContact O-CA 3.42Å; E365-T405 WeakPolarHBondContact O-CB 3.32Å; E365-S406 PolarHBondContact N-OG 3.07Å; E365-S406 VanDerWaalsContact N-OG 3.17Å; E365-S406 PolarHBondContact O-N 3.02Å
366L88.8Confident87.4Confident29 Ų2957 Ų5715%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-83.1108.8174.3-164.6163.1000110.1P357 Y362 Y369 A383 V403P357-L366 HydrophobicContact CG-CD1 3.98Å; Y362-L366 HydrophobicContact CE2-CB 4.35Å; L366-Y369 HydrophobicContact CD2-CE2 3.92Å; L366-A383 HydrophobicContact CD2-CB 3.62Å; L366-A383 VanDerWaalsContact O-CB 3.23Å; L366-A383 WeakPolarHBondContact O-CB 3.47Å; L366-V403 HydrophobicContact CD1-CG2 3.82Å; L366-V403 HydrophobicContact CD2-CG2 3.91Å; L366-V403 HydrophobicContact CG-CG2 3.63Å
367L91.1Very high87.4Confident90 Ų9057.3 Ų57.347%0.47131%0.309SS..EExtended strand (participates in β ladder)trans-89.7-47-168.7-55.5177.9000113.1E365 V404E365-L367 HydrophobicContact CB-CD2 4.25Å; E365-L367 HydrophobicContact CG-CD2 4.15Å; E365-L367 PolarHBondContact O-N 2.94Å; L367-V404 WeakPolarHBondContact CB-O 3.32Å; L367-V404 PolarHBondContact N-O 3.01Å
368R93.6Very high87.5Confident92 Ų9261 Ų6135%0.34733%0.325SS..EExtended strand (participates in β ladder)trans-164.4164.4-176.367.2-166.2-148-165.39112.6E378 I380 V404R368-E378 IonicContact CZ-OE1 4Å; R368-E378 IonicContact NH2-OE1 2.72Å; R368-E378 PolarHBondContact NH2-OE1 3.48Å; R368-I380 HydrophobicContact CB-CG2 4.2Å; R368-I380 HydrophobicContact CG-CG2 4.38Å; R368-V404 HydrophobicContact CG-CB 3.98Å; R368-V404 HydrophobicContact CG-CG2 4.23Å; R368-V404 PolarHBondContact N-O 3.25Å; R368-V404 PolarHBondContact O-N 2.78Å
369Y94.9Very high87.8Confident4 Ų462 Ų622%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-101.9144.9160.9-62.8-90000109.6L333 W354 L366 C381 S385 S402 V403L333-Y369 HydrophobicContact CD1-CD1 3.8Å; L333-Y369 HydrophobicContact CD1-CE1 3.97Å; L333-Y369 HydrophobicContact CD2-CE1 4.22Å; W354-Y369 AromaticContact CD1-CD1 3.78Å; W354-Y369 AromaticContact CD1-CE1 3.36Å; W354-Y369 AromaticContact CD1-CZ 3.55Å; W354-Y369 HydrophobicContact CD2-CD1 4.33Å; W354-Y369 HydrophobicContact CD2-CG 4.46Å; W354-Y369 AromaticContact CE2-CD1 3.86Å; W354-Y369 AromaticContact CE2-CD2 3.73Å; W354-Y369 AromaticContact CE2-CG 3.64Å; W354-Y369 HydrophobicContact CG-CD1 4.29Å; W354-Y369 HydrophobicContact CG-CE1 4.2Å; W354-Y369 HydrophobicContact CZ2-CD1 4.41Å; W354-Y369 AromaticContact CZ2-CD2 3.7Å; W354-Y369 HydrophobicContact CZ2-CD2 3.7Å; W354-Y369 HydrophobicContact CZ2-CE2 4.33Å; W354-Y369 AromaticContact CZ2-CG 3.75Å; W354-Y369 HydrophobicContact CZ2-CG 3.75Å; W354-Y369 AromaticContact NE1-CD1 3.5Å; W354-Y369 AromaticContact NE1-CD2 3.43Å; W354-Y369 AromaticContact NE1-CE1 3.31Å; W354-Y369 VanDerWaalsContact NE1-CE1 3.31Å; W354-Y369 AromaticContact NE1-CE2 3.25Å; W354-Y369 AromaticContact NE1-CG 3.56Å; W354-Y369 AromaticContact NE1-CZ 3.19Å; L366-Y369 HydrophobicContact CD2-CE2 3.92Å; Y369-C381 PolarHBondContact N-O 3.39Å; Y369-C381 PolarHBondContact O-N 3.29Å; Y369-S385 WeakPolarHBondContact CE2-O 3.45Å; Y369-S402 WeakPolarHBondContact CA-O 3.42Å; Y369-V403 HydrophobicContact CD1-CB 3.77Å; Y369-V403 HydrophobicContact CD1-CG2 4.15Å; Y369-V403 HydrophobicContact CE1-CB 3.66Å; Y369-V403 HydrophobicContact CE1-CG2 3.82Å
370S94.7Very high88.4Confident8 Ų861.1 Ų61.16%0.05632%0.315CS..EExtended strand (participates in β ladder)trans-120.6129.1179147.70000109V401 S402S370-V401 WeakPolarHBondContact O-CA 3.48Å; S370-S402 PolarHBondContact N-O 3.46Å; S370-S402 PolarHBondContact O-N 3.01Å
371I95.1Very high89Confident0 Ų053.4 Ų53.40%028%0.279CS..EExtended strand (participates in β ladder)trans-114.1111.2174.5-61.4174000108.4V352 W354 L373 E378 E379 C388 I390 L399 N400 V401V352-I371 HydrophobicContact CB-CD1 4.19Å; V352-I371 HydrophobicContact CG2-CD1 4.3Å; W354-I371 HydrophobicContact CZ3-CD1 4.09Å; I371-L373 HydrophobicContact CG2-CD1 4.39Å; I371-E378 CarbonylContact O-C 3.51Å; I371-E378 WeakPolarHBondContact O-CA 3.37Å; I371-E379 HydrophobicContact CB-CB 4.36Å; I371-E379 PolarHBondContact N-O 3.4Å; I371-E379 PolarHBondContact O-N 2.56Å; I371-C388 HydrophobicContact CD1-CB 3.73Å; I371-I390 HydrophobicContact CD1-CG2 4.39Å; I371-I390 HydrophobicContact CG2-CD1 4.11Å; I371-L399 HydrophobicContact CG2-CB 4.27Å; I371-L399 HydrophobicContact CG2-CD1 3.97Å; I371-L399 HydrophobicContact CG2-CD2 4.17Å; I371-L399 HydrophobicContact CG2-CG 4.37Å; I371-N400 CarbonylContact C-O 3.57Å; I371-N400 WeakPolarHBondContact CA-O 3.47Å; I371-V401 HydrophobicContact CG1-CG1 4.2Å; I371-V401 HydrophobicContact CG1-CG2 4.4Å
372V94.2Very high89.5Confident49 Ų4957 Ų5730%0.29730%0.303SS..EExtended strand (participates in β ladder)trans-104.8118.7178-176.30000109.5R377 E378 L399 N400V372-R377 WeakPolarHBondContact CA-O 3.44Å; V372-E378 HydrophobicContact CG2-CB 4.35Å; V372-E378 HydrophobicContact CG2-CG 4.27Å; V372-L399 CarbonylContact O-C 3.52Å; V372-L399 WeakPolarHBondContact O-CA 3.06Å; V372-N400 PolarHBondContact N-O 2.86Å; V372-N400 PolarHBondContact O-N 3.17Å
373L91.6Very high89.7Confident5 Ų556.9 Ų56.93%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-75.8156.9175.5-73.274.9000110.4I371 D375 G376 R377 E379 I390 A392 V396I371-L373 HydrophobicContact CG2-CD1 4.39Å; L373-D375 WeakPolarHBondContact CB-OD1 3.31Å; L373-D375 PolarHBondContact O-N 2.82Å; L373-D375 VanDerWaalsContact O-N 3.09Å; L373-G376 PolarHBondContact O-N 2.86Å; L373-R377 WeakPolarHBondContact CD1-O 3.37Å; L373-R377 PolarHBondContact N-O 2.81Å; L373-E379 HydrophobicContact CD1-CG 4.35Å; L373-I390 HydrophobicContact CD1-CD1 3.94Å; L373-I390 HydrophobicContact CG-CD1 4.33Å; L373-A392 HydrophobicContact CD2-CB 4.22Å; L373-V396 HydrophobicContact CB-CG1 4.2Å; L373-V396 HydrophobicContact CD2-CG1 4.34Å; L373-V396 HydrophobicContact CG-CG1 4.46Å
374E88.4Confident90.2Very high100 Ų10060.8 Ų60.847%0.46734%0.344SS..THydrogen-bonded Turntrans-58.9-19.3174-74.8170.6160.500113.9G376 V396 L397 G398E374-G376 VanDerWaalsContact C-N 3.26Å; E374-G376 PolarHBondContact O-N 2.87Å; E374-V396 HydrophobicContact CB-CG1 4.33Å; E374-L397 WeakPolarHBondContact OE2-CA 3.34Å; E374-L397 WeakPolarHBondContact OE2-CB 3.39Å; E374-L397 PolarHBondContact OE2-N 2.77Å; E374-G398 WeakPolarHBondContact CG-O 3.05Å; E374-G398 PolarHBondContact N-O 2.97Å; E374-G398 PolarHBondContact OE1-N 2.83Å; E374-G398 PolarHBondContact OE2-N 2.77Å
375D84.7Confident90.7Very high77 Ų7761.1 Ų61.141%0.41234%0.341SS..THydrogen-bonded Turntrans-82.82.6173.669.514.8000114.2L373 R377 V396L373-D375 WeakPolarHBondContact CB-OD1 3.31Å; L373-D375 PolarHBondContact O-N 2.82Å; L373-D375 VanDerWaalsContact O-N 3.09Å; D375-R377 WeakPolarHBondContact OD1-CB 3.36Å; D375-R377 WeakPolarHBondContact OD1-CG 3.46Å; D375-R377 IonicContact OD1-CZ 3.63Å; D375-R377 PolarHBondContact OD1-N 2.95Å; D375-R377 IonicContact OD1-NE 3.17Å; D375-R377 PolarHBondContact OD1-NE 2.9Å; D375-R377 IonicContact OD1-NH2 3.34Å; D375-R377 IonicContact OD2-CZ 3.42Å; D375-R377 VanDerWaalsContact OD2-CZ 3.27Å; D375-R377 IonicContact OD2-NE 2.97Å; D375-R377 PolarHBondContact OD2-NE 2.92Å; D375-R377 IonicContact OD2-NH2 3.29Å; D375-R377 PolarHBondContact OD2-NH2 2.82Å; D375-V396 HydrophobicContact CB-CG2 4.2Å
376G83.9Confident90.9Very high58 Ų5857.6 Ų57.660%0.59833%0.332SS*.SBendtrans87.41175.900000115.4L373 E374L373-G376 PolarHBondContact O-N 2.86Å; E374-G376 VanDerWaalsContact C-N 3.26Å; E374-G376 PolarHBondContact O-N 2.87Å
377R88.4Confident91Very high96 Ų9660.9 Ų60.936%0.36235%0.347SS..  trans-78131.6175.6-66.2-178.1-67.6132-0.5111.5V372 L373 D375V372-R377 WeakPolarHBondContact CA-O 3.44Å; L373-R377 WeakPolarHBondContact CD1-O 3.37Å; L373-R377 PolarHBondContact N-O 2.81Å; D375-R377 WeakPolarHBondContact OD1-CB 3.36Å; D375-R377 WeakPolarHBondContact OD1-CG 3.46Å; D375-R377 IonicContact OD1-CZ 3.63Å; D375-R377 PolarHBondContact OD1-N 2.95Å; D375-R377 IonicContact OD1-NE 3.17Å; D375-R377 PolarHBondContact OD1-NE 2.9Å; D375-R377 IonicContact OD1-NH2 3.34Å; D375-R377 IonicContact OD2-CZ 3.42Å; D375-R377 VanDerWaalsContact OD2-CZ 3.27Å; D375-R377 IonicContact OD2-NE 2.97Å; D375-R377 PolarHBondContact OD2-NE 2.92Å; D375-R377 IonicContact OD2-NH2 3.29Å; D375-R377 PolarHBondContact OD2-NH2 2.82Å
378E91.6Very high91Very high93 Ų9357.8 Ų57.844%0.43533%0.333SS..EExtended strand (participates in β ladder)trans-97.9127.9172.6-174.7-174.2170.800110R368 I371 V372 I380R368-E378 IonicContact CZ-OE1 4Å; R368-E378 IonicContact NH2-OE1 2.72Å; R368-E378 PolarHBondContact NH2-OE1 3.48Å; I371-E378 CarbonylContact O-C 3.51Å; I371-E378 WeakPolarHBondContact O-CA 3.37Å; V372-E378 HydrophobicContact CG2-CB 4.35Å; V372-E378 HydrophobicContact CG2-CG 4.27Å; E378-I380 HydrophobicContact CG-CG1 4.23Å
379E91.8Very high90.9Very high80 Ų8056.8 Ų56.837%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-110.7133.2168.3-67.7-72.8-179.700108.9I371 L373 I390I371-E379 HydrophobicContact CB-CB 4.36Å; I371-E379 PolarHBondContact N-O 3.4Å; I371-E379 PolarHBondContact O-N 2.56Å; L373-E379 HydrophobicContact CD1-CG 4.35Å; E379-I390 HydrophobicContact CB-CG2 4.01Å; E379-I390 HydrophobicContact CG-CG2 3.96Å
380I93.4Very high90.7Very high93 Ų9357 Ų5748%0.47734%0.341SS..EExtended strand (participates in β ladder)trans-108.3126.7-172.1-62.8171.5000110.5R368 E378R368-I380 HydrophobicContact CB-CG2 4.2Å; R368-I380 HydrophobicContact CG-CG2 4.38Å; E378-I380 HydrophobicContact CG-CG1 4.23Å
381C92.6Very high90.4Very high2 Ų261 Ų611%0.01436%0.359CS..EExtended strand (participates in β ladder)trans-119139.3-174.7-58.80000111.3W354 Y369 C388W354-C381 HydrophobicContact CH2-CB 3.72Å; W354-C381 HydrophobicContact CZ2-CB 4.16Å; Y369-C381 PolarHBondContact N-O 3.39Å; Y369-C381 PolarHBondContact O-N 3.29Å; C381-C388 HydrophobicContact CB-CB 4.07Å; C381-C388 WeakPolarHBondContact CB-SG 3.42Å; C381-C388 WeakPolarHBondContact SG-CB 3.14Å; C381-C388 CovalentContact SG-SG 2.03Å; C381-C388 PolarHBondContact SG-SG 3.29Å
382P93.3Very high90.1Very high81 Ų8161 Ų6153%0.52636%0.359SS..EExtended strand (participates in β ladder)trans-62.7149.4-174.4-23.834000114.6A384 S385P382-A384 PolarHBondContact O-N 3.46Å; P382-S385 WeakPolarHBondContact O-CB 3.35Å; P382-S385 PolarHBondContact O-N 2.58Å
383A88.9Confident89.8Confident39 Ų3960.4 Ų60.432%0.32236%0.356SS..THydrogen-bonded Turntrans-54-35.8175.800000114.4L366 S385L366-A383 HydrophobicContact CD2-CB 3.62Å; L366-A383 VanDerWaalsContact O-CB 3.23Å; L366-A383 WeakPolarHBondContact O-CB 3.47Å; A383-S385 VanDerWaalsContact C-N 3.26Å; A383-S385 PolarHBondContact O-N 2.97Å
384A88.4Confident89.4Confident106 Ų10664 Ų6488%0.87638%0.377SS*.THydrogen-bonded Turntrans-78.6-4.3179.400000114.1P382P382-A384 PolarHBondContact O-N 3.46Å
385S89Confident89.2Confident40 Ų4063.3 Ų63.328%0.2839%0.389SS..  trans-93.6139.4-178.5-58.80000111.7W354 Y369 P382 A383W354-S385 VanDerWaalsContact CE2-O 3.3Å; W354-S385 VanDerWaalsContact CZ2-O 3.26Å; W354-S385 WeakPolarHBondContact CZ2-O 3.47Å; W354-S385 PolarHBondContact NE1-O 3.11Å; Y369-S385 WeakPolarHBondContact CE2-O 3.45Å; P382-S385 WeakPolarHBondContact O-CB 3.35Å; P382-S385 PolarHBondContact O-N 2.58Å; A383-S385 VanDerWaalsContact C-N 3.26Å; A383-S385 PolarHBondContact O-N 2.97Å
386S89.6Confident89.2Confident67 Ų6760.2 Ų60.247%0.46937%0.373SS..SBendtrans-102.50.7169.553.60000113.2F353 W354F353-S386 WeakPolarHBondContact CA-O 3.43Å; W354-S386 PolarHBondContact N-O 2.93Å
387Q91.4Very high89.4Confident98 Ų9861.1 Ų61.146%0.45836%0.364SS..EExtended strand (participates in β ladder)trans-151.4153.7-179.261.8178.864.700112T351 V352 F353T351-Q387 HydrophobicContact CG2-CB 4.42Å; V352-Q387 CarbonylContact O-C 3.57Å; V352-Q387 WeakPolarHBondContact O-CA 3.41Å; F353-Q387 HydrophobicContact CD1-CB 3.67Å; F353-Q387 HydrophobicContact CE1-CB 4.03Å; F353-Q387 HydrophobicContact CG-CB 4.36Å
388C91.9Very high89.5Confident26 Ų2656.6 Ų56.618%0.17635%0.347CS..EExtended strand (participates in β ladder)trans-141.5142.3170.8-122.80000110.2T351 V352 W354 I371 C381T351-C388 CarbonylContact C-O 3.51Å; T351-C388 WeakPolarHBondContact CA-O 3.37Å; V352-C388 PolarHBondContact N-O 3.02Å; V352-C388 PolarHBondContact O-N 2.78Å; W354-C388 HydrophobicContact CH2-CB 3.68Å; W354-C388 HydrophobicContact CZ3-CB 3.83Å; I371-C388 HydrophobicContact CD1-CB 3.73Å; C381-C388 HydrophobicContact CB-CB 4.07Å; C381-C388 WeakPolarHBondContact CB-SG 3.42Å; C381-C388 WeakPolarHBondContact SG-CB 3.14Å; C381-C388 CovalentContact SG-SG 2.03Å; C381-C388 PolarHBondContact SG-SG 3.29Å
389S91.3Very high89.6Confident70 Ų7052.1 Ų52.149%0.4933%0.326SS..EExtended strand (participates in β ladder)trans-107.8119.6172.4-62.90000109.9V350 T351V350-S389 WeakPolarHBondContact O-CA 3.34Å; T351-S389 PolarHBondContact OG1-OG 3.47Å
390I90.7Very high89.7Confident8 Ų850.9 Ų50.94%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-119.6155-177.463.1159.2000111.7N349 V350 I371 L373 E379 L399N349-I390 WeakPolarHBondContact CA-O 3.18Å; N349-I390 PolarHBondContact OD1-O 2.97Å; V350-I390 HydrophobicContact CB-CG1 4.11Å; V350-I390 PolarHBondContact N-O 2.62Å; V350-I390 PolarHBondContact O-N 2.92Å; I371-I390 HydrophobicContact CD1-CG2 4.39Å; I371-I390 HydrophobicContact CG2-CD1 4.11Å; L373-I390 HydrophobicContact CD1-CD1 3.94Å; L373-I390 HydrophobicContact CG-CD1 4.33Å; E379-I390 HydrophobicContact CB-CG2 4.01Å; E379-I390 HydrophobicContact CG-CG2 3.96Å; I390-L399 HydrophobicContact CD1-CD2 3.73Å
391Q88.9Confident89.8Confident94 Ų9446.4 Ų46.444%0.43930%0.299SS..EExtended strand (participates in β ladder)trans-98.694.2174.9-67.2-65.9-22.100110.5
392A87.3Confident89.9Confident0 Ų047.2 Ų47.20%030%0.304CS..EExtended strand (participates in β ladder)trans-93.2133.7177.800000110.5R348 V350 L373R348-A392 HydrophobicContact CG-CB 4.42Å; R348-A392 WeakPolarHBondContact CG-O 3.4Å; R348-A392 PolarHBondContact N-O 2.78Å; R348-A392 PolarHBondContact O-N 3.39Å; V350-A392 HydrophobicContact CG2-CB 3.92Å; L373-A392 HydrophobicContact CD2-CB 4.22Å
393P87.8Confident89.9Confident36 Ų3643.3 Ų43.323%0.23428%0.279CS..EExtended strand (participates in β ladder)trans-55.6144.6165-2433.4000110.8L347 A395 V396L347-P393 HydrophobicContact CD2-CB 4.5Å; L347-P393 HydrophobicContact CD2-CG 4.05Å; P393-A395 PolarHBondContact O-N 2.96Å; P393-A395 VanDerWaalsContact O-N 3.12Å; P393-V396 HydrophobicContact CB-CG2 4.32Å; P393-V396 HydrophobicContact CG-CG2 4.28Å; P393-V396 PolarHBondContact O-N 2.76Å
394V83.4Confident90.1Very high79 Ų7943 Ų4348%0.47927%0.274SS..THydrogen-bonded Turntrans-59.9-24.4177.1171.10000112.2G346 R348G346-V394 WeakPolarHBondContact O-CG2 3.48Å; G346-V394 PolarHBondContact O-N 2.95Å; R348-V394 HydrophobicContact CB-CG2 4.28Å; R348-V394 HydrophobicContact CG-CG2 4.1Å
395A84.8Confident90.1Very high87 Ų8738.2 Ų38.272%0.71923%0.233SC*.THydrogen-bonded Turntrans-73.2-19.9176.100000115.2P393P393-A395 PolarHBondContact O-N 2.96Å; P393-A395 VanDerWaalsContact O-N 3.12Å
396V85.4Confident90.1Very high11 Ų1139.4 Ų39.47%0.06724%0.241CC..  trans-78.1123.9174.5173.80000108.2R348 L373 E374 D375 P393 G398 L417R348-V396 PolarHBondContact NH2-O 3.01Å; L373-V396 HydrophobicContact CB-CG1 4.2Å; L373-V396 HydrophobicContact CD2-CG1 4.34Å; L373-V396 HydrophobicContact CG-CG1 4.46Å; E374-V396 HydrophobicContact CB-CG1 4.33Å; D375-V396 HydrophobicContact CB-CG2 4.2Å; P393-V396 HydrophobicContact CB-CG2 4.32Å; P393-V396 HydrophobicContact CG-CG2 4.28Å; P393-V396 PolarHBondContact O-N 2.76Å; V396-G398 VanDerWaalsContact CG1-O 3.25Å; V396-G398 WeakPolarHBondContact CG1-O 3.27Å; V396-L417 HydrophobicContact CG1-CD1 4.46Å
397L87Confident89.7Confident78 Ų7837.9 Ų37.941%0.40823%0.231SC..  trans-102-14.3-169.1-56.8-175.3000113.6E374 L417 K418E374-L397 WeakPolarHBondContact OE2-CA 3.34Å; E374-L397 WeakPolarHBondContact OE2-CB 3.39Å; E374-L397 PolarHBondContact OE2-N 2.77Å; L397-L417 WeakPolarHBondContact O-CA 3.42Å; L397-L417 WeakPolarHBondContact O-CB 3.05Å; L397-L417 PolarHBondContact O-N 2.91Å; L397-K418 HydrophobicContact CB-CG 4.04Å; L397-K418 HydrophobicContact CD2-CG 4.44Å
398G90.3Very high89.4Confident0 Ų034.7 Ų34.70%022%0.224CC..EExtended strand (participates in β ladder)trans-151.9166.3179.800000113.2E374 V396 V415E374-G398 WeakPolarHBondContact CG-O 3.05Å; E374-G398 PolarHBondContact N-O 2.97Å; E374-G398 PolarHBondContact OE1-N 2.83Å; E374-G398 PolarHBondContact OE2-N 2.77Å; V396-G398 VanDerWaalsContact CG1-O 3.25Å; V396-G398 WeakPolarHBondContact CG1-O 3.27Å; G398-V415 WeakPolarHBondContact CA-O 3.33Å
399L93.9Very high89.3Confident0 Ų036.2 Ų36.20%024%0.239CC..EExtended strand (participates in β ladder)trans-144156.6168.359.784.5000110.4V352 I371 V372 I390 V401 F414 V415 L417V352-L399 HydrophobicContact CG1-CD1 4.24Å; V352-L399 HydrophobicContact CG2-CD1 4Å; V352-L399 HydrophobicContact CG2-CD2 3.66Å; I371-L399 HydrophobicContact CG2-CB 4.27Å; I371-L399 HydrophobicContact CG2-CD1 3.97Å; I371-L399 HydrophobicContact CG2-CD2 4.17Å; I371-L399 HydrophobicContact CG2-CG 4.37Å; V372-L399 CarbonylContact O-C 3.52Å; V372-L399 WeakPolarHBondContact O-CA 3.06Å; I390-L399 HydrophobicContact CD1-CD2 3.73Å; L399-V401 HydrophobicContact CD1-CG2 3.68Å; L399-F414 CarbonylContact O-C 3.59Å; L399-V415 HydrophobicContact CD1-CB 3.5Å; L399-V415 HydrophobicContact CD1-CG1 4.03Å; L399-V415 HydrophobicContact CD1-CG2 3.68Å; L399-V415 HydrophobicContact CG-CB 3.93Å; L399-V415 HydrophobicContact CG-CG1 4.26Å; L399-V415 PolarHBondContact N-O 3.09Å; L399-V415 VanDerWaalsContact N-O 3.13Å; L399-V415 PolarHBondContact O-N 3.32Å; L399-L417 HydrophobicContact CD2-CD1 4.15Å; L399-L417 HydrophobicContact CD2-CD2 4.14Å; L399-L417 HydrophobicContact CG-CD1 4.49Å; L399-L417 HydrophobicContact CG-CD2 4.45Å
400N94.9Very high89.3Confident53 Ų5333.2 Ų33.228%0.28322%0.218SC..EExtended strand (participates in β ladder)trans-112.4132.2175.9-75.1-49.4000109.7I371 V372 P412 A413I371-N400 CarbonylContact C-O 3.57Å; I371-N400 WeakPolarHBondContact CA-O 3.47Å; V372-N400 PolarHBondContact N-O 2.86Å; V372-N400 PolarHBondContact O-N 3.17Å; N400-P412 HydrophobicContact CB-CB 3.91Å; N400-A413 WeakPolarHBondContact CA-O 3.35Å
401V95.3Very high89.4Confident0 Ų035.3 Ų35.30%023%0.232CC..EExtended strand (participates in β ladder)trans-110.4134.6173.7-163.80000109.9L333 V335 V352 W354 S370 I371 L399 A413 V415L333-V401 HydrophobicContact CD1-CB 4.46Å; L333-V401 HydrophobicContact CD1-CG1 3.89Å; V335-V401 HydrophobicContact CG1-CB 3.82Å; V335-V401 HydrophobicContact CG1-CG1 4.38Å; V335-V401 HydrophobicContact CG1-CG2 3.79Å; V352-V401 HydrophobicContact CG1-CG2 3.79Å; W354-V401 HydrophobicContact CE3-CG1 4.39Å; S370-V401 WeakPolarHBondContact O-CA 3.48Å; I371-V401 HydrophobicContact CG1-CG1 4.2Å; I371-V401 HydrophobicContact CG1-CG2 4.4Å; L399-V401 HydrophobicContact CD1-CG2 3.68Å; V401-A413 PolarHBondContact N-O 2.77Å; V401-A413 PolarHBondContact O-N 2.67Å; V401-V415 HydrophobicContact CG2-CG2 4.03Å
402S94.7Very high89.7Confident18 Ų1834.3 Ų34.313%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-131.1154.5168.956.80000111.2Y369 S370 S410Y369-S402 WeakPolarHBondContact CA-O 3.42Å; S370-S402 PolarHBondContact N-O 3.46Å; S370-S402 PolarHBondContact O-N 3.01Å; S402-S410 WeakPolarHBondContact CA-OG 3.17Å
403V93.3Very high90Very high0 Ų034.4 Ų34.40%023%0.234CC..EExtended strand (participates in β ladder)trans-100.2142.3166.153.50000108.5P329 L333 P357 L366 Y369 A409 S410P329-V403 HydrophobicContact CB-CG1 4.1Å; P329-V403 HydrophobicContact CG-CG1 3.93Å; L333-V403 HydrophobicContact CD1-CB 4.06Å; L333-V403 HydrophobicContact CD1-CG1 4.24Å; L333-V403 HydrophobicContact CD2-CB 4.16Å; L333-V403 HydrophobicContact CD2-CG1 3.76Å; L333-V403 HydrophobicContact CG-CB 4.43Å; L333-V403 HydrophobicContact CG-CG1 4.08Å; P357-V403 HydrophobicContact CG-CG1 4.19Å; P357-V403 HydrophobicContact CG-CG2 4.36Å; L366-V403 HydrophobicContact CD1-CG2 3.82Å; L366-V403 HydrophobicContact CD2-CG2 3.91Å; L366-V403 HydrophobicContact CG-CG2 3.63Å; Y369-V403 HydrophobicContact CD1-CB 3.77Å; Y369-V403 HydrophobicContact CD1-CG2 4.15Å; Y369-V403 HydrophobicContact CE1-CB 3.66Å; Y369-V403 HydrophobicContact CE1-CG2 3.82Å; V403-A409 CarbonylContact O-C 3.53Å; V403-A409 VanDerWaalsContact O-CA 3.26Å; V403-A409 WeakPolarHBondContact O-CA 3.46Å; V403-S410 PolarHBondContact N-OG 3.13Å; V403-S410 PolarHBondContact O-N 2.93Å
404V91.8Very high90.2Very high33 Ų3336.8 Ų36.820%0.224%0.241CC..EExtended strand (participates in β ladder)trans-121.1124.8-179.5-172.90000109L367 R368 A409L367-V404 WeakPolarHBondContact CB-O 3.32Å; L367-V404 PolarHBondContact N-O 3.01Å; R368-V404 HydrophobicContact CG-CB 3.98Å; R368-V404 HydrophobicContact CG-CG2 4.23Å; R368-V404 PolarHBondContact N-O 3.25Å; R368-V404 PolarHBondContact O-N 2.78Å; V404-A409 HydrophobicContact CG2-CB 4.11Å
405T90.2Very high90.6Very high4 Ų433.3 Ų33.33%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-114.1175.9175.672.60000110.6P329 Y362 E365 S407 G408P329-T405 HydrophobicContact CG-CG2 3.66Å; Y362-T405 HydrophobicContact CD2-CG2 3.73Å; Y362-T405 HydrophobicContact CE2-CG2 4.11Å; Y362-T405 HydrophobicContact CG-CG2 4.32Å; E365-T405 CarbonylContact O-C 3.57Å; E365-T405 WeakPolarHBondContact O-CA 3.42Å; E365-T405 WeakPolarHBondContact O-CB 3.32Å; T405-S407 PolarHBondContact O-N 3.38Å; T405-S407 WeakPolarHBondContact OG1-CB 3.43Å; T405-S407 PolarHBondContact OG1-N 2.93Å; T405-G408 PolarHBondContact N-O 3.19Å; T405-G408 PolarHBondContact O-N 3.27Å; T405-G408 PolarHBondContact OG1-O 2.6Å
406S87.3Confident90.8Very high65 Ų6530 Ų3046%0.45519%0.191SC..THydrogen-bonded Turntrans-50.1-34.5167.248.80000112.8E326 G364 E365E326-S406 WeakPolarHBondContact OE2-CB 3.05Å; E326-S406 PolarHBondContact OE2-OG 3.42Å; G364-S406 WeakPolarHBondContact CA-OG 3.34Å; E365-S406 PolarHBondContact N-OG 3.07Å; E365-S406 VanDerWaalsContact N-OG 3.17Å; E365-S406 PolarHBondContact O-N 3.02Å
407S81.6Confident91Very high35 Ų3529.6 Ų29.625%0.24519%0.188CC..THydrogen-bonded Turntrans-90-8.4-169.2-40.40000114.7E326 K327 S363 T405E326-S407 WeakPolarHBondContact CB-OG 3.46Å; E326-S407 PolarHBondContact OE2-OG 2.9Å; E326-S407 VanDerWaalsContact OE2-OG 3.04Å; K327-S407 VanDerWaalsContact C-CB 3.43Å; K327-S407 WeakPolarHBondContact O-CB 3.44Å; S363-S407 PolarHBondContact O-OG 2.88Å; T405-S407 PolarHBondContact O-N 3.38Å; T405-S407 WeakPolarHBondContact OG1-CB 3.43Å; T405-S407 PolarHBondContact OG1-N 2.93Å
408G85.8Confident91Very high31 Ų3129 Ų2932%0.3218%0.182SC..EExtended strand (participates in β ladder)trans138.8-172.3-178.400000114T405T405-G408 PolarHBondContact N-O 3.19Å; T405-G408 PolarHBondContact O-N 3.27Å; T405-G408 PolarHBondContact OG1-O 2.6Å
409A89.2Confident90.6Very high59 Ų5934.7 Ų34.749%0.48821%0.208SC..EExtended strand (participates in β ladder)trans-110.9146.417800000111.5V403 V404V403-A409 CarbonylContact O-C 3.53Å; V403-A409 VanDerWaalsContact O-CA 3.26Å; V403-A409 WeakPolarHBondContact O-CA 3.46Å; V404-A409 HydrophobicContact CG2-CB 4.11Å
410S92.4Very high89.5Confident6 Ų636 Ų364%0.04222%0.219CC..PPolyproline II helixtrans-64154.7173.372.40000111.8P329 S402 V403P329-S410 WeakPolarHBondContact O-CA 3.47Å; S402-S410 WeakPolarHBondContact CA-OG 3.17Å; V403-S410 PolarHBondContact N-OG 3.13Å; V403-S410 PolarHBondContact O-N 2.93Å
411P92.6Very high88Confident53 Ų5336.1 Ų36.134%0.34423%0.233SC..PPolyproline II helixtrans-51.3138.2162.1-24.834.7000110.7P329 Q332 A413P329-P411 WeakPolarHBondContact O-CD 3.34Å; Q332-P411 HydrophobicContact CG-CB 3.86Å; P411-A413 PolarHBondContact O-N 2.76Å
412P93.8Very high86.2Confident72 Ų7241 Ų4147%0.46827%0.273SS..PPolyproline II helixtrans-67.3133-176.525.1-33.2000111.4Q332 N400Q332-P412 PolarHBondContact NE2-O 2.78Å; N400-P412 HydrophobicContact CB-CB 3.91Å
413A94.4Very high84.2Confident2 Ų244.6 Ų44.62%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-98.4113.3174.300000110.1Q332 L333 V335 N400 V401 P411Q332-A413 HydrophobicContact CB-CB 4.22Å; L333-A413 HydrophobicContact CB-CB 4.09Å; L333-A413 WeakPolarHBondContact O-CB 3.23Å; V335-A413 HydrophobicContact CG1-CB 3.89Å; V335-A413 HydrophobicContact CG2-CB 3.84Å; N400-A413 WeakPolarHBondContact CA-O 3.35Å; V401-A413 PolarHBondContact N-O 2.77Å; V401-A413 PolarHBondContact O-N 2.67Å; P411-A413 PolarHBondContact O-N 2.76Å
414F92.1Very high82.6Confident86 Ų8646.7 Ų46.738%0.37731%0.308SS..EExtended strand (participates in β ladder)trans-75.2141.3-178.6-175.6-97.5000112.4L399 D416L399-F414 CarbonylContact O-C 3.59Å; F414-D416 HydrophobicContact CE1-CB 3.88Å
415V92.1Very high81.2Confident6 Ų649.2 Ų49.24%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-128115.8-179.9175.80000108.9V335 R337 G398 L399 V401 L417V335-V415 HydrophobicContact CB-CG2 3.67Å; V335-V415 HydrophobicContact CG1-CG2 4.36Å; V335-V415 HydrophobicContact CG2-CG2 3.46Å; V335-V415 VanDerWaalsContact CG2-CG2 3.46Å; R337-V415 HydrophobicContact CB-CG1 3.83Å; R337-V415 HydrophobicContact CG-CG1 3.5Å; G398-V415 WeakPolarHBondContact CA-O 3.33Å; L399-V415 HydrophobicContact CD1-CB 3.5Å; L399-V415 HydrophobicContact CD1-CG1 4.03Å; L399-V415 HydrophobicContact CD1-CG2 3.68Å; L399-V415 HydrophobicContact CG-CB 3.93Å; L399-V415 HydrophobicContact CG-CG1 4.26Å; L399-V415 PolarHBondContact N-O 3.09Å; L399-V415 VanDerWaalsContact N-O 3.13Å; L399-V415 PolarHBondContact O-N 3.32Å; V401-V415 HydrophobicContact CG2-CG2 4.03Å; V415-L417 HydrophobicContact CG1-CD2 4.12Å
416D89.4Confident80.4Confident19 Ų1949.7 Ų49.710%0.10233%0.329CS..EExtended strand (participates in β ladder)trans-82.6127.2-178.5-156.5-50.2000112.1R337 F414 K418R337-D416 PolarHBondContact NE-O 2.87Å; F414-D416 HydrophobicContact CE1-CB 3.88Å; D416-K418 WeakPolarHBondContact OD1-CA 3.03Å; D416-K418 WeakPolarHBondContact OD1-CB 3.45Å; D416-K418 WeakPolarHBondContact OD1-CD 3.45Å; D416-K418 WeakPolarHBondContact OD1-CG 3.41Å; D416-K418 PolarHBondContact OD1-N 2.86Å; D416-K418 IonicContact OD1-NZ 3.42Å; D416-K418 IonicContact OD2-NZ 3.09Å; D416-K418 PolarHBondContact OD2-NZ 2.85Å
417L89.2Confident79.8Confident1 Ų153.8 Ų53.81%0.00534%0.339CS..  trans-104.53.6-179.7-48177.8000112.6R337 F339 R348 V350 V396 L397 L399 V415R337-L417 HydrophobicContact CG-CD2 4.13Å; F339-L417 HydrophobicContact CE1-CD2 4.38Å; F339-L417 HydrophobicContact CZ-CB 4.37Å; R348-L417 PolarHBondContact NH1-O 3.32Å; R348-L417 VanDerWaalsContact NH2-CB 3.29Å; R348-L417 PolarHBondContact NH2-O 2.81Å; V350-L417 HydrophobicContact CG1-CD2 3.87Å; V396-L417 HydrophobicContact CG1-CD1 4.46Å; L397-L417 WeakPolarHBondContact O-CA 3.42Å; L397-L417 WeakPolarHBondContact O-CB 3.05Å; L397-L417 PolarHBondContact O-N 2.91Å; L399-L417 HydrophobicContact CD2-CD1 4.15Å; L399-L417 HydrophobicContact CD2-CD2 4.14Å; L399-L417 HydrophobicContact CG-CD1 4.49Å; L399-L417 HydrophobicContact CG-CD2 4.45Å; V415-L417 HydrophobicContact CG1-CD2 4.12Å
418K87.4Confident79.8Confident65 Ų6553.3 Ų53.328%0.28334%0.335SS..  trans-78.7154.5174.3-53.1158.2-152.5139.40110.5L397 D416 V501L397-K418 HydrophobicContact CB-CG 4.04Å; L397-K418 HydrophobicContact CD2-CG 4.44Å; D416-K418 WeakPolarHBondContact OD1-CA 3.03Å; D416-K418 WeakPolarHBondContact OD1-CB 3.45Å; D416-K418 WeakPolarHBondContact OD1-CD 3.45Å; D416-K418 WeakPolarHBondContact OD1-CG 3.41Å; D416-K418 PolarHBondContact OD1-N 2.86Å; D416-K418 IonicContact OD1-NZ 3.42Å; D416-K418 IonicContact OD2-NZ 3.09Å; D416-K418 PolarHBondContact OD2-NZ 2.85Å; K418-V501 PolarHBondContact O-N 2.81Å; K418-V501 VanDerWaalsContact O-N 3.16Å
419H81.1Confident79.6Confident120 Ų12059.2 Ų59.256%0.55635%0.351SS*.BIsolated β-bridgetrans-108.5133.9168.1-68.496.9000109.1F339 G421 V501F339-H419 AromaticContact CD2-CE1 3.79Å; F339-H419 AromaticContact CD2-NE2 3.79Å; F339-H419 AromaticContact CE2-CE1 3.3Å; F339-H419 WeakPolarHBondContact CE2-CE1 3.36Å; F339-H419 AromaticContact CE2-NE2 3.41Å; F339-H419 WeakPolarHBondContact CE2-NE2 3.22Å; H419-G421 PolarHBondContact O-N 2.86Å; H419-G421 VanDerWaalsContact O-N 3.15Å; H419-V501 CarbonylContact C-O 3.59Å; H419-V501 WeakPolarHBondContact CA-O 3.48Å
420A70.9Confident79.2Confident27 Ų2759.1 Ų59.122%0.22334%0.342CS..  trans-76.65-171.800000115.1V501A420-V501 PolarHBondContact N-O 3.1Å
421G64.3Low78.8Confident56 Ų5661.4 Ų61.458%0.57736%0.361SS*.  trans94.7-160.6-172.300000113.1H419H419-G421 PolarHBondContact O-N 2.86Å; H419-G421 VanDerWaalsContact O-N 3.15Å
422A56.7Low78.3Confident103 Ų10362.8 Ų62.885%0.85137%0.37SS*.SBendtrans-89.5128.9-167.600000114.2
423S52.8Low77.8Confident94 Ų9461.7 Ų61.766%0.65737%0.365SS*.  trans59.775.2153.5-168.30000118.8
424E59.4Low76.9Confident44 Ų4466.3 Ų66.321%0.20640%0.403CS..  trans-89.6103.4151.5-65.7178.2171.500109F426 Q448E424-F426 HydrophobicContact CB-CE2 3.93Å; E424-F426 HydrophobicContact CB-CZ 3.82Å; E424-Q448 PolarHBondContact OE1-NE2 2.7Å
425S62.8Low76.3Confident85 Ų8566.3 Ų66.359%0.59441%0.406SS*.  trans-92108.2-179.259.40000111.3
426F73.2Confident75.7Confident14 Ų1466.1 Ų66.16%0.06141%0.406CS..  trans-90136.9177.7-58.7-73.2000110.9E424 V428 F454 L493 A495 T505E424-F426 HydrophobicContact CB-CE2 3.93Å; E424-F426 HydrophobicContact CB-CZ 3.82Å; F426-V428 HydrophobicContact CB-CG2 4.41Å; F426-V428 PolarHBondContact O-N 2.84Å; F426-V428 VanDerWaalsContact O-N 3.16Å; F426-F454 AromaticContact CE1-CE1 3.97Å; F426-F454 HydrophobicContact CE1-CE1 3.97Å; F426-F454 HydrophobicContact CZ-CE1 4.17Å; F426-L493 HydrophobicContact CB-CD2 3.71Å; F426-L493 HydrophobicContact CD2-CD2 4.04Å; F426-L493 HydrophobicContact CD2-CG 4.3Å; F426-L493 HydrophobicContact CG-CD2 3.83Å; F426-A495 HydrophobicContact CE2-CB 3.95Å; F426-A495 HydrophobicContact CZ-CB 3.59Å; F426-T505 PolarHBondContact N-OG1 2.9Å; F426-T505 WeakPolarHBondContact O-CG2 3.45Å
427F73.5Confident75.6Confident152 Ų15267.5 Ų67.567%0.66742%0.417SS*.EExtended strand (participates in β ladder)trans-85.292.7171.2-68.7-83.4000109.7K429 W443 S444F427-K429 PolarHBondContact O-N 3.01Å; F427-W443 WeakPolarHBondContact O-CA 3.36Å; F427-S444 PolarHBondContact O-N 2.9Å
428V81.9Confident75.6Confident25 Ų2567.9 Ų67.915%0.15242%0.421CS..EExtended strand (participates in β ladder)trans-78.1117.8179-175.30000110.1F426 L430 V441 S442 L493 T505F426-V428 HydrophobicContact CB-CG2 4.41Å; F426-V428 PolarHBondContact O-N 2.84Å; F426-V428 VanDerWaalsContact O-N 3.16Å; V428-L430 HydrophobicContact CG1-CD1 4.07Å; V428-L430 HydrophobicContact CG1-CG 4.13Å; V428-V441 HydrophobicContact CG1-CG1 3.68Å; V428-S442 CarbonylContact C-O 3.59Å; V428-S442 WeakPolarHBondContact CA-O 3.47Å; V428-L493 HydrophobicContact CG2-CB 4.15Å; V428-L493 HydrophobicContact CG2-CD2 3.89Å; V428-T505 HydrophobicContact CG2-CG2 4.05Å
429K82.9Confident75.7Confident154 Ų15465 Ų6567%0.6741%0.408SS*.EExtended strand (participates in β ladder)trans-106.9136.5172.9-70.6-177.9-179.8-179.40110F427 S442F427-K429 PolarHBondContact O-N 3.01Å; K429-S442 WeakPolarHBondContact CB-OG 3.47Å; K429-S442 PolarHBondContact N-O 2.83Å; K429-S442 PolarHBondContact O-N 3.32Å; K429-S442 VanDerWaalsContact O-O 3.12Å; K429-S442 PolarHBondContact O-OG 2.84Å
430L80.3Confident76.2Confident57 Ų5762.9 Ų62.930%0.29840%0.399SS..EExtended strand (participates in β ladder)trans-126.5129.9-169.9-73.1140.3000110.5V428 H440 V441 T507 I509V428-L430 HydrophobicContact CG1-CD1 4.07Å; V428-L430 HydrophobicContact CG1-CG 4.13Å; L430-H440 WeakPolarHBondContact CA-O 3.45Å; L430-V441 HydrophobicContact CD2-CB 4.19Å; L430-V441 HydrophobicContact CD2-CG1 4.04Å; L430-V441 HydrophobicContact CD2-CG2 3.83Å; L430-T507 HydrophobicContact CD1-CG2 3.69Å; L430-I509 HydrophobicContact CD1-CG2 3.5Å; L430-I509 VanDerWaalsContact CD1-CG2 3.5Å; L430-I509 HydrophobicContact CD2-CD1 4.44Å; L430-I509 HydrophobicContact CD2-CG2 4Å; L430-I509 HydrophobicContact CG-CG2 4.23Å
431A84.1Confident77.2Confident54 Ų5461.6 Ų61.645%0.44639%0.388SS..EExtended strand (participates in β ladder)trans-126.1102.3177.500000109.6H440A431-H440 HydrophobicContact CB-CB 4.37Å; A431-H440 PolarHBondContact N-O 3.19Å; A431-H440 PolarHBondContact O-N 3.21Å
432P82Confident78.5Confident82 Ų8260.5 Ų60.553%0.53237%0.372SS..EExtended strand (participates in β ladder)trans-65.6152176.824.6-31.9000112.6S511P432-S511 WeakPolarHBondContact CB-O 2.99Å
433S83.8Confident80.1Confident50 Ų5056.1 Ų56.135%0.3533%0.333SS..  trans-78.7148.2170.4-178.20000111.3D435 G436 A438S433-D435 VanDerWaalsContact C-N 3.27Å; S433-D435 WeakPolarHBondContact CB-OD1 3.23Å; S433-D435 PolarHBondContact O-N 3.34Å; S433-D435 PolarHBondContact OG-OD1 2.6Å; S433-G436 PolarHBondContact O-N 2.78Å; S433-A438 VanDerWaalsContact CB-O 3.27Å; S433-A438 WeakPolarHBondContact CB-O 3.44Å; S433-A438 PolarHBondContact N-O 2.89Å
434A76Confident81.5Confident98 Ų9854.9 Ų54.981%0.8132%0.324SS*.THydrogen-bonded Turntrans-61.2-33.9-177.900000113.3G436 R512A434-G436 VanDerWaalsContact C-N 3.26Å; A434-G436 PolarHBondContact O-N 3.29Å; A434-R512 PolarHBondContact O-NH1 2.85Å
435D79.1Confident82.2Confident86 Ų8654 Ų5446%0.4632%0.322SS..THydrogen-bonded Turntrans-74.8-14175.975.9-32000113.4S433 S437 R512S433-D435 VanDerWaalsContact C-N 3.27Å; S433-D435 WeakPolarHBondContact CB-OD1 3.23Å; S433-D435 PolarHBondContact O-N 3.34Å; S433-D435 PolarHBondContact OG-OD1 2.6Å; D435-S437 VanDerWaalsContact C-N 3.25Å; D435-S437 VanDerWaalsContact CG-OG 3.31Å; D435-S437 PolarHBondContact O-N 3.01Å; D435-S437 PolarHBondContact OD1-N 3.36Å; D435-S437 PolarHBondContact OD1-OG 3.47Å; D435-S437 WeakPolarHBondContact OD2-CB 3.44Å; D435-S437 PolarHBondContact OD2-OG 2.99Å; D435-R512 VanDerWaalsContact O-CZ 3.23Å; D435-R512 PolarHBondContact O-NH1 2.67Å; D435-R512 PolarHBondContact O-NH2 2.91Å; D435-R512 VanDerWaalsContact O-NH2 3.11Å
436G79Confident82.6Confident2 Ų255.2 Ų55.22%0.02133%0.326CS..SBendtrans73.84.117900000115.3S433 A434 A438 S511S433-G436 PolarHBondContact O-N 2.78Å; A434-G436 VanDerWaalsContact C-N 3.26Å; A434-G436 PolarHBondContact O-N 3.29Å; G436-A438 VanDerWaalsContact C-N 3.35Å; G436-S511 WeakPolarHBondContact O-CB 3.25Å; G436-S511 PolarHBondContact O-OG 3.23Å
437S87.1Confident82.1Confident48 Ų4862 Ų6234%0.33636%0.363SS..SBendtrans-81.9-16.2-179.9760000113.5D435 T481 G482 L483D435-S437 VanDerWaalsContact C-N 3.25Å; D435-S437 VanDerWaalsContact CG-OG 3.31Å; D435-S437 PolarHBondContact O-N 3.01Å; D435-S437 PolarHBondContact OD1-N 3.36Å; D435-S437 PolarHBondContact OD1-OG 3.47Å; D435-S437 WeakPolarHBondContact OD2-CB 3.44Å; D435-S437 PolarHBondContact OD2-OG 2.99Å; S437-T481 CarbonylContact O-C 3.48Å; S437-G482 PolarHBondContact O-N 2.87Å; S437-L483 WeakPolarHBondContact CA-O 3.44Å; S437-L483 PolarHBondContact O-N 2.88Å
438A89.1Confident81.8Confident10 Ų1057 Ų578%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-144.4159.1-17100000111.8S433 G436 T479 I480 T481S433-A438 VanDerWaalsContact CB-O 3.27Å; S433-A438 WeakPolarHBondContact CB-O 3.44Å; S433-A438 PolarHBondContact N-O 2.89Å; G436-A438 VanDerWaalsContact C-N 3.35Å; A438-T479 HydrophobicContact CB-CG2 4.02Å; A438-I480 CarbonylContact C-O 3.53Å; A438-I480 WeakPolarHBondContact CA-O 3.48Å; A438-I480 WeakPolarHBondContact CB-O 3.14Å; A438-T481 HydrophobicContact CB-CG2 4.04Å
439A90.6Very high81.3Confident3 Ų366 Ų663%0.02538%0.379CS..EExtended strand (participates in β ladder)trans-140.5139170.500000110.4T479 I480 L483 I509A439-T479 WeakPolarHBondContact O-CA 3.45Å; A439-I480 HydrophobicContact CB-CG1 4.22Å; A439-I480 PolarHBondContact N-O 3.44Å; A439-I480 WeakPolarHBondContact O-CG1 3.25Å; A439-I480 PolarHBondContact O-N 3.17Å; A439-L483 HydrophobicContact CB-CD1 3.8Å; A439-I509 HydrophobicContact CB-CD1 4.37Å
440H91.1Very high81.3Confident77 Ų7761.3 Ų61.336%0.35636%0.361SS..EExtended strand (participates in β ladder)trans-87.7117.5171-168.977.6000109.8L430 A431 T479L430-H440 WeakPolarHBondContact CA-O 3.45Å; A431-H440 HydrophobicContact CB-CB 4.37Å; A431-H440 PolarHBondContact N-O 3.19Å; A431-H440 PolarHBondContact O-N 3.21Å; H440-T479 PolarHBondContact ND1-OG1 2.77Å; H440-T479 VanDerWaalsContact ND1-OG1 3.13Å
441V91.5Very high81.7Confident0 Ų059.4 Ų59.40%035%0.351CS..EExtended strand (participates in β ladder)trans-97126.9175-167.30000107.4V428 L430 W443 V456 G477 T478 I480 V491V428-V441 HydrophobicContact CG1-CG1 3.68Å; L430-V441 HydrophobicContact CD2-CB 4.19Å; L430-V441 HydrophobicContact CD2-CG1 4.04Å; L430-V441 HydrophobicContact CD2-CG2 3.83Å; V441-W443 HydrophobicContact CB-CZ3 4.33Å; V441-W443 HydrophobicContact CG1-CE3 4.16Å; V441-W443 HydrophobicContact CG1-CZ3 4.11Å; V441-V456 HydrophobicContact CG2-CG1 4.4Å; V441-G477 CarbonylContact O-C 3.59Å; V441-G477 WeakPolarHBondContact O-CA 3.31Å; V441-T478 PolarHBondContact N-O 2.95Å; V441-T478 PolarHBondContact O-N 2.89Å; V441-I480 HydrophobicContact CG2-CD1 3.92Å; V441-I480 HydrophobicContact CG2-CG1 3.92Å; V441-I480 HydrophobicContact CG2-CG2 4.18Å; V441-V491 HydrophobicContact CG1-CG1 4.32Å; V441-V491 HydrophobicContact CG2-CG1 4.34Å
442S91.6Very high81.9Confident33 Ų3361 Ų6123%0.23135%0.352CS..EExtended strand (participates in β ladder)trans-135.7154.8179.259.90000110.2V428 K429 K476V428-S442 CarbonylContact C-O 3.59Å; V428-S442 WeakPolarHBondContact CA-O 3.47Å; K429-S442 WeakPolarHBondContact CB-OG 3.47Å; K429-S442 PolarHBondContact N-O 2.83Å; K429-S442 PolarHBondContact O-N 3.32Å; K429-S442 VanDerWaalsContact O-O 3.12Å; K429-S442 PolarHBondContact O-OG 2.84Å; S442-K476 CarbonylContact C-O 3.57Å; S442-K476 WeakPolarHBondContact CA-O 3.38Å
443W89.8Confident82.3Confident10 Ų1059 Ų594%0.03833%0.334CS..EExtended strand (participates in β ladder)trans-149.3146.1-176.851.693.7000112.8F427 V441 F454 V456 V471 K476 T478 L493F427-W443 WeakPolarHBondContact O-CA 3.36Å; V441-W443 HydrophobicContact CB-CZ3 4.33Å; V441-W443 HydrophobicContact CG1-CE3 4.16Å; V441-W443 HydrophobicContact CG1-CZ3 4.11Å; W443-F454 AromaticContact CD1-CZ 3.95Å; W443-F454 AromaticContact CE2-CD2 3.89Å; W443-F454 HydrophobicContact CZ2-CB 3.97Å; W443-F454 AromaticContact CZ2-CD2 3.76Å; W443-F454 HydrophobicContact CZ2-CD2 3.76Å; W443-F454 HydrophobicContact CZ2-CE2 4.42Å; W443-F454 AromaticContact CZ2-CG 3.87Å; W443-F454 HydrophobicContact CZ2-CG 3.87Å; W443-F454 AromaticContact NE1-CD1 3.84Å; W443-F454 AromaticContact NE1-CD2 3.44Å; W443-F454 AromaticContact NE1-CE1 3.68Å; W443-F454 AromaticContact NE1-CE2 3.26Å; W443-F454 VanDerWaalsContact NE1-CE2 3.26Å; W443-F454 AromaticContact NE1-CG 3.73Å; W443-F454 AromaticContact NE1-CZ 3.39Å; W443-V456 HydrophobicContact CH2-CG2 3.73Å; W443-V456 HydrophobicContact CZ3-CG2 3.68Å; W443-V471 HydrophobicContact CH2-CB 4.38Å; W443-V471 HydrophobicContact CH2-CG1 4.01Å; W443-V471 HydrophobicContact CH2-CG2 4.34Å; W443-V471 HydrophobicContact CZ2-CG1 4.02Å; W443-K476 PolarHBondContact N-O 2.86Å; W443-T478 HydrophobicContact CH2-CG2 4Å; W443-T478 HydrophobicContact CZ3-CG2 4.08Å; W443-L493 HydrophobicContact CB-CD2 3.68Å; W443-L493 HydrophobicContact CD2-CD1 4.08Å; W443-L493 HydrophobicContact CD2-CD2 3.62Å; W443-L493 HydrophobicContact CE3-CD1 4.15Å; W443-L493 HydrophobicContact CE3-CD2 4.01Å; W443-L493 HydrophobicContact CG-CD2 3.46Å; W443-L493 VanDerWaalsContact CG-CD2 3.46Å; W443-L493 HydrophobicContact CH2-CD1 4.27Å; W443-L493 HydrophobicContact CZ2-CD1 4.19Å; W443-L493 HydrophobicContact CZ3-CD1 4.24Å
444S83.7Confident82.6Confident68 Ų6856.6 Ų56.648%0.47632%0.317SS..EExtended strand (participates in β ladder)trans-92.5130.6163.661.40000110.5F427F427-S444 PolarHBondContact O-N 2.9Å
445T73.6Confident83.4Confident26 Ų2652 Ų5216%0.1628%0.279CS..  trans-121151.1173.4-176.40000108.7F454T445-F454 HydrophobicContact CG2-CZ 4.13Å
446T70.3Confident84.1Confident110 Ų11047.9 Ų47.968%0.67526%0.257SS*.  trans-79.2155.7165.244.80000109.8Q448T446-Q448 PolarHBondContact O-N 2.94Å
447D64.1Low84.8Confident156 Ų15648.6 Ų48.683%0.83426%0.26SS*.  trans-71.1102.1-175.2-65.7-41.8000111.8
448Q66.3Low85Confident49 Ų4947.4 Ų47.423%0.22925%0.248CC..  trans-98.4123.2-178.7-68.3-159.3-2400112.4E424 T446 D450 L451E424-Q448 PolarHBondContact OE1-NE2 2.7Å; T446-Q448 PolarHBondContact O-N 2.94Å; Q448-D450 VanDerWaalsContact C-N 3.3Å; Q448-D450 PolarHBondContact O-N 3.03Å; Q448-L451 HydrophobicContact CB-CB 3.88Å
449K71.6Confident85.1Confident212 Ų21249.9 Ų49.992%0.92226%0.258SS*.THydrogen-bonded Turntrans-72.1-23.3176.1-63.7-175.3179.4-178.80113.6
450D83.8Confident85.1Confident56 Ų5650.6 Ų50.630%0.29926%0.262SS..THydrogen-bonded Turntrans-95.5-3.3-173.7-60.1-57.6000114.3Q448 T497 T498 R499Q448-D450 VanDerWaalsContact C-N 3.3Å; Q448-D450 PolarHBondContact O-N 3.03Å; D450-T497 CarbonylContact O-C 3.56Å; D450-T497 WeakPolarHBondContact O-CA 3.43Å; D450-T497 WeakPolarHBondContact O-CB 3.43Å; D450-T498 WeakPolarHBondContact CB-OG1 3.27Å; D450-T498 PolarHBondContact O-N 3.42Å; D450-T498 PolarHBondContact OD1-OG1 3.02Å; D450-R499 VanDerWaalsContact CG-NH1 3.3Å; D450-R499 IonicContact OD1-NH1 2.67Å; D450-R499 IonicContact OD2-CZ 3.28Å; D450-R499 IonicContact OD2-NH1 3.05Å; D450-R499 PolarHBondContact OD2-NH1 3.2Å; D450-R499 IonicContact OD2-NH2 2.66Å; D450-R499 PolarHBondContact OD2-NH2 2.75Å
451L87Confident84.7Confident17 Ų1750.7 Ų50.79%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-76.1125.2-173178.868.6000111.7Q448 F454 K473 A495Q448-L451 HydrophobicContact CB-CB 3.88Å; L451-F454 HydrophobicContact CD1-CE1 4.2Å; L451-F454 HydrophobicContact CD1-CZ 4.27Å; L451-F454 HydrophobicContact CD2-CE1 4.25Å; L451-F454 HydrophobicContact CD2-CE2 3.72Å; L451-F454 HydrophobicContact CD2-CZ 3.52Å; L451-K473 HydrophobicContact CD2-CB 3.89Å; L451-K473 HydrophobicContact CG-CB 3.92Å; L451-K473 WeakPolarHBondContact O-CD 3.35Å; L451-A495 HydrophobicContact CD1-CB 3.91Å
452L88.4Confident83.8Confident88 Ų8855.8 Ų55.846%0.46130%0.297SS..EExtended strand (participates in β ladder)trans-95.9-50.3178.3-56.6177.8000111.3V496 T498L452-V496 WeakPolarHBondContact CB-O 3.46Å; L452-V496 PolarHBondContact N-O 2.81Å; L452-T498 HydrophobicContact CD2-CG2 4.01Å; L452-T498 HydrophobicContact CG-CG2 4.43Å
453Y90.9Very high82.9Confident40 Ų4057.3 Ų57.316%0.15731%0.312CS..EExtended strand (participates in β ladder)trans-166.7165.7178.753.3-92.8000111.5V455 K470 V471 V496Y453-V455 HydrophobicContact CD2-CG2 3.94Å; Y453-V455 HydrophobicContact CE2-CG2 3.85Å; Y453-K470 HydrophobicContact CD2-CD 3.99Å; Y453-K470 HydrophobicContact CD2-CG 3.74Å; Y453-K470 HydrophobicContact CE2-CD 3.96Å; Y453-K470 HydrophobicContact CE2-CG 4.11Å; Y453-K470 HydrophobicContact CG-CD 4.36Å; Y453-K470 HydrophobicContact CG-CG 4.22Å; Y453-V471 WeakPolarHBondContact CB-O 3.41Å; Y453-V496 HydrophobicContact CD2-CB 3.93Å; Y453-V496 HydrophobicContact CD2-CG2 3.86Å; Y453-V496 HydrophobicContact CE1-CB 4.36Å; Y453-V496 HydrophobicContact CE1-CG1 4.11Å; Y453-V496 HydrophobicContact CE2-CB 3.77Å; Y453-V496 HydrophobicContact CE2-CG1 4.06Å; Y453-V496 HydrophobicContact CE2-CG2 3.52Å; Y453-V496 HydrophobicContact CG-CB 4.32Å; Y453-V496 PolarHBondContact N-O 2.9Å; Y453-V496 WeakPolarHBondContact O-CB 3.49Å; Y453-V496 PolarHBondContact O-N 2.66Å
454F91.1Very high81.9Confident0 Ų061.3 Ų61.30%035%0.347CS..EExtended strand (participates in β ladder)trans-98.3157.2168.7-64.3-75.8000110.9F426 W443 T445 L451 V471 L493 Y494 A495F426-F454 AromaticContact CE1-CE1 3.97Å; F426-F454 HydrophobicContact CE1-CE1 3.97Å; F426-F454 HydrophobicContact CZ-CE1 4.17Å; W443-F454 AromaticContact CD1-CZ 3.95Å; W443-F454 AromaticContact CE2-CD2 3.89Å; W443-F454 HydrophobicContact CZ2-CB 3.97Å; W443-F454 AromaticContact CZ2-CD2 3.76Å; W443-F454 HydrophobicContact CZ2-CD2 3.76Å; W443-F454 HydrophobicContact CZ2-CE2 4.42Å; W443-F454 AromaticContact CZ2-CG 3.87Å; W443-F454 HydrophobicContact CZ2-CG 3.87Å; W443-F454 AromaticContact NE1-CD1 3.84Å; W443-F454 AromaticContact NE1-CD2 3.44Å; W443-F454 AromaticContact NE1-CE1 3.68Å; W443-F454 AromaticContact NE1-CE2 3.26Å; W443-F454 VanDerWaalsContact NE1-CE2 3.26Å; W443-F454 AromaticContact NE1-CG 3.73Å; W443-F454 AromaticContact NE1-CZ 3.39Å; T445-F454 HydrophobicContact CG2-CZ 4.13Å; L451-F454 HydrophobicContact CD1-CE1 4.2Å; L451-F454 HydrophobicContact CD1-CZ 4.27Å; L451-F454 HydrophobicContact CD2-CE1 4.25Å; L451-F454 HydrophobicContact CD2-CE2 3.72Å; L451-F454 HydrophobicContact CD2-CZ 3.52Å; F454-V471 HydrophobicContact CB-CB 4.28Å; F454-V471 PolarHBondContact N-O 2.92Å; F454-V471 PolarHBondContact O-N 3.42Å; F454-L493 HydrophobicContact CB-CD1 4.07Å; F454-L493 HydrophobicContact CD1-CD1 4.04Å; F454-L493 HydrophobicContact CG-CD1 4.32Å; F454-Y494 CarbonylContact C-O 3.59Å; F454-Y494 WeakPolarHBondContact CA-O 3.49Å; F454-A495 HydrophobicContact CD1-CB 4.1Å; F454-A495 HydrophobicContact CE1-CB 4.06Å
455V92.9Very high81.6Confident1 Ų159.9 Ų59.91%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-127.9125.8162.9-177.70000108.8W336 Y453 W468 K469 Y494 V496W336-V455 HydrophobicContact CD2-CB 4.37Å; W336-V455 HydrophobicContact CD2-CG1 3.8Å; W336-V455 HydrophobicContact CD2-CG2 4.32Å; W336-V455 HydrophobicContact CE3-CB 4.18Å; W336-V455 HydrophobicContact CE3-CG1 4.07Å; W336-V455 HydrophobicContact CE3-CG2 3.72Å; W336-V455 HydrophobicContact CG-CG1 4.26Å; W336-V455 HydrophobicContact CH2-CB 3.92Å; W336-V455 HydrophobicContact CH2-CG1 4.29Å; W336-V455 HydrophobicContact CH2-CG2 4.03Å; W336-V455 HydrophobicContact CZ2-CB 4.12Å; W336-V455 HydrophobicContact CZ2-CG1 4.04Å; W336-V455 HydrophobicContact CZ3-CB 3.97Å; W336-V455 HydrophobicContact CZ3-CG1 4.31Å; W336-V455 HydrophobicContact CZ3-CG2 3.56Å; Y453-V455 HydrophobicContact CD2-CG2 3.94Å; Y453-V455 HydrophobicContact CE2-CG2 3.85Å; V455-W468 HydrophobicContact CG1-CB 4.4Å; V455-W468 HydrophobicContact CG1-CE3 4.23Å; V455-K469 WeakPolarHBondContact CA-O 3.01Å; V455-Y494 PolarHBondContact N-O 3.03Å; V455-Y494 PolarHBondContact O-N 2.74Å; V455-V496 HydrophobicContact CG2-CG2 4.28Å
456V93.2Very high82.2Confident0 Ų060 Ų600%034%0.343CS..EExtended strand (participates in β ladder)trans-97.9125.4169.5-179.90000107.7V441 W443 W458 W468 K469 V471 T478 I480 V491 L493V441-V456 HydrophobicContact CG2-CG1 4.4Å; W443-V456 HydrophobicContact CH2-CG2 3.73Å; W443-V456 HydrophobicContact CZ3-CG2 3.68Å; V456-W458 HydrophobicContact CG1-CE3 4.23Å; V456-W468 CarbonylContact O-C 3.57Å; V456-W468 VanDerWaalsContact O-CA 3.25Å; V456-W468 WeakPolarHBondContact O-CA 3.37Å; V456-K469 PolarHBondContact N-O 2.86Å; V456-K469 PolarHBondContact O-N 3.39Å; V456-V471 HydrophobicContact CG2-CG2 4.4Å; V456-T478 HydrophobicContact CB-CG2 4.22Å; V456-T478 HydrophobicContact CG2-CG2 3.69Å; V456-I480 HydrophobicContact CG1-CG2 4.17Å; V456-V491 HydrophobicContact CG1-CG1 3.82Å; V456-L493 HydrophobicContact CG2-CD1 3.87Å
457E92.8Very high83.2Confident16 Ų1660 Ų608%0.07533%0.334CS..EExtended strand (participates in β ladder)trans-119142.4180-179-177.489.700108.4W336 L466 Q467 W468 V491 S492 Y494W336-E457 PolarHBondContact NE1-OE2 2.92Å; E457-L466 HydrophobicContact CG-CD1 3.53Å; E457-L466 HydrophobicContact CG-CD2 4.31Å; E457-L466 HydrophobicContact CG-CG 4Å; E457-Q467 CarbonylContact C-O 3.57Å; E457-Q467 WeakPolarHBondContact CA-O 3.49Å; E457-W468 HydrophobicContact CB-CB 4.46Å; E457-V491 CarbonylContact O-C 3.09Å; E457-V491 WeakPolarHBondContact O-CA 3.01Å; E457-S492 PolarHBondContact N-O 3Å; E457-S492 PolarHBondContact O-N 3.33Å; E457-Y494 HydrophobicContact CB-CD2 4.38Å; E457-Y494 HydrophobicContact CB-CE2 3.99Å; E457-Y494 WeakPolarHBondContact OE1-CE2 3.34Å; E457-Y494 PolarHBondContact OE1-OH 2.87Å
458W92.4Very high84.6Confident23 Ų2353.1 Ų53.19%0.08730%0.297CS..EExtended strand (participates in β ladder)trans-146.5142176.264.8102.6000112.3V456 Q467 K469 I480 N490 V491V456-W458 HydrophobicContact CG1-CE3 4.23Å; W458-Q467 HydrophobicContact CD2-CB 3.85Å; W458-Q467 VanDerWaalsContact CE2-CB 3.42Å; W458-Q467 HydrophobicContact CE3-CB 4.48Å; W458-Q467 HydrophobicContact CG-CB 4.19Å; W458-Q467 HydrophobicContact CH2-CB 4.37Å; W458-Q467 HydrophobicContact CZ2-CB 3.72Å; W458-Q467 PolarHBondContact N-O 2.63Å; W458-Q467 PolarHBondContact O-N 2.68Å; W458-K469 HydrophobicContact CH2-CB 4.03Å; W458-K469 HydrophobicContact CZ3-CB 3.8Å; W458-I480 HydrophobicContact CB-CD1 4.48Å; W458-I480 HydrophobicContact CD2-CB 4.31Å; W458-I480 HydrophobicContact CD2-CD1 4.3Å; W458-I480 HydrophobicContact CD2-CG2 4.09Å; W458-I480 HydrophobicContact CE3-CB 4.42Å; W458-I480 HydrophobicContact CE3-CG2 3.71Å; W458-I480 HydrophobicContact CG-CD1 4.19Å; W458-I480 HydrophobicContact CH2-CB 4.29Å; W458-I480 HydrophobicContact CH2-CG2 3.84Å; W458-I480 HydrophobicContact CZ2-CB 4.15Å; W458-I480 HydrophobicContact CZ2-CG2 4.18Å; W458-I480 HydrophobicContact CZ3-CB 4.41Å; W458-I480 HydrophobicContact CZ3-CG2 3.57Å; W458-N490 VanDerWaalsContact CA-O 3.24Å; W458-N490 WeakPolarHBondContact CA-O 3.37Å; W458-V491 HydrophobicContact CB-CG2 4.01Å
459E90.8Very high85.9Confident63 Ų6354.5 Ų54.529%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-135.9142-179.8-169.5168.6-131.400109.4A463 L466 Y489 N490E459-A463 HydrophobicContact CG-CB 4.07Å; E459-A463 WeakPolarHBondContact OE1-CB 3.42Å; E459-L466 HydrophobicContact CB-CD1 4.11Å; E459-Y489 CarbonylContact O-C 3.21Å; E459-Y489 WeakPolarHBondContact O-CA 3.34Å; E459-N490 PolarHBondContact N-O 2.79Å; E459-N490 VanDerWaalsContact N-O 3.07Å; E459-N490 PolarHBondContact O-N 2.85Å
460S89.5Confident86.9Confident17 Ų1748.4 Ų48.412%0.11928%0.276CS..EExtended strand (participates in β ladder)trans-71.8155.8171.664.20000110.7P462 A463 A464S460-P462 CarbonylContact C-O 3.52Å; S460-P462 CarbonylContact O-C 3.59Å; S460-P462 PolarHBondContact OG-O 2.66Å; S460-A463 VanDerWaalsContact O-CA 3.24Å; S460-A463 WeakPolarHBondContact O-CA 3.49Å; S460-A463 PolarHBondContact O-N 3.11Å; S460-A464 WeakPolarHBondContact OG-CB 3.11Å; S460-A464 PolarHBondContact OG-N 2.85Å
461M82.9Confident87.3Confident79 Ų7946 Ų4639%0.38926%0.263SS..EExtended strand (participates in β ladder)trans-119.5114.4171.9-64.9-62.3-66.500109.5R488 Q541M461-R488 HydrophobicContact CB-CB 4.44Å; M461-R488 PolarHBondContact N-O 2.89Å; M461-Q541 PolarHBondContact O-NE2 3.35Å
462P74.1Confident87.5Confident107 Ų10750.6 Ų50.670%0.69529%0.287SS*.SBendcis-66.4159.3-0.529.8-36.5000113.9S460 A464S460-P462 CarbonylContact C-O 3.52Å; S460-P462 CarbonylContact O-C 3.59Å; S460-P462 PolarHBondContact OG-O 2.66Å; P462-A464 PolarHBondContact O-N 3.21Å; P462-A464 VanDerWaalsContact O-N 3.14Å
463A72.4Confident87.4Confident66 Ų6651.1 Ų51.155%0.54529%0.286SS..  trans-64.8107-174.900000112.2E459 S460E459-A463 HydrophobicContact CG-CB 4.07Å; E459-A463 WeakPolarHBondContact OE1-CB 3.42Å; S460-A463 VanDerWaalsContact O-CA 3.24Å; S460-A463 WeakPolarHBondContact O-CA 3.49Å; S460-A463 PolarHBondContact O-N 3.11Å
464A68.1Low87.2Confident93 Ų9355 Ų5577%0.76931%0.309SS*.SBendtrans-102.5-8.1173.800000112.9S460 P462S460-A464 WeakPolarHBondContact OG-CB 3.11Å; S460-A464 PolarHBondContact OG-N 2.85Å; P462-A464 PolarHBondContact O-N 3.21Å; P462-A464 VanDerWaalsContact O-N 3.14Å
465G77.1Confident87Confident38 Ų3859.3 Ų59.339%0.39233%0.332SS..  trans153.2136.5177.500000112.5
466L86.7Confident86.7Confident30 Ų3064.8 Ų64.816%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-72.4134.1175.5-164.467.9000110.5F353 E457 E459F353-L466 HydrophobicContact CD2-CD2 4.4Å; F353-L466 HydrophobicContact CE1-CB 4.36Å; F353-L466 HydrophobicContact CE1-CD2 4.26Å; F353-L466 HydrophobicContact CE2-CD2 3.71Å; F353-L466 HydrophobicContact CZ-CB 4.38Å; F353-L466 HydrophobicContact CZ-CD2 3.62Å; E457-L466 HydrophobicContact CG-CD1 3.53Å; E457-L466 HydrophobicContact CG-CD2 4.31Å; E457-L466 HydrophobicContact CG-CG 4Å; E459-L466 HydrophobicContact CB-CD1 4.11Å
467Q91.4Very high86.6Confident108 Ų10865.6 Ų65.651%0.50536%0.363SS..EExtended strand (participates in β ladder)trans-124.4148.3171.8-68.8-64.4-75.400110E457 W458E457-Q467 CarbonylContact C-O 3.57Å; E457-Q467 WeakPolarHBondContact CA-O 3.49Å; W458-Q467 HydrophobicContact CD2-CB 3.85Å; W458-Q467 VanDerWaalsContact CE2-CB 3.42Å; W458-Q467 HydrophobicContact CE3-CB 4.48Å; W458-Q467 HydrophobicContact CG-CB 4.19Å; W458-Q467 HydrophobicContact CH2-CB 4.37Å; W458-Q467 HydrophobicContact CZ2-CB 3.72Å; W458-Q467 PolarHBondContact N-O 2.63Å; W458-Q467 PolarHBondContact O-N 2.68Å
468W93.5Very high86.6Confident12 Ų1265.4 Ų65.45%0.04536%0.363CS..EExtended strand (participates in β ladder)trans-154.3159.4-174.867.1-91.9000113.1H334 W336 K355 V455 V456 E457 K470H334-W468 HydrophobicContact CB-CH2 4.05Å; H334-W468 WeakPolarHBondContact O-CH2 3.32Å; W336-W468 HydrophobicContact CB-CD2 3.5Å; W336-W468 VanDerWaalsContact CB-CD2 3.5Å; W336-W468 HydrophobicContact CB-CE3 3.74Å; W336-W468 HydrophobicContact CB-CG 4Å; W336-W468 HydrophobicContact CB-CH2 4.06Å; W336-W468 HydrophobicContact CB-CZ2 3.83Å; W336-W468 HydrophobicContact CB-CZ3 4.02Å; W336-W468 AromaticContact CD1-CG 3.79Å; W336-W468 HydrophobicContact CG-CD2 4.02Å; W336-W468 HydrophobicContact CG-CE3 4.23Å; W336-W468 HydrophobicContact CG-CG 4.12Å; K355-W468 HydrophobicContact CD-CH2 4.45Å; K355-W468 HydrophobicContact CD-CZ2 4.38Å; K355-W468 WeakPolarHBondContact CE-O 3.1Å; K355-W468 HydrophobicContact CG-CH2 4.13Å; K355-W468 HydrophobicContact CG-CZ2 3.79Å; K355-W468 PolarHBondContact NZ-O 3.06Å; V455-W468 HydrophobicContact CG1-CB 4.4Å; V455-W468 HydrophobicContact CG1-CE3 4.23Å; V456-W468 CarbonylContact O-C 3.57Å; V456-W468 VanDerWaalsContact O-CA 3.25Å; V456-W468 WeakPolarHBondContact O-CA 3.37Å; E457-W468 HydrophobicContact CB-CB 4.46Å; W468-K470 HydrophobicContact CZ3-CB 4.2Å
469K93.1Very high86.6Confident79 Ų7967.1 Ų67.134%0.34338%0.377SS..EExtended strand (participates in β ladder)trans-149.7120.3-179.6-169.4177.9-175.2-1730110.9V455 V456 W458 V471 T478 T479V455-K469 WeakPolarHBondContact CA-O 3.01Å; V456-K469 PolarHBondContact N-O 2.86Å; V456-K469 PolarHBondContact O-N 3.39Å; W458-K469 HydrophobicContact CH2-CB 4.03Å; W458-K469 HydrophobicContact CZ3-CB 3.8Å; K469-V471 HydrophobicContact CG-CG2 4.47Å; K469-T478 WeakPolarHBondContact CD-OG1 3.34Å; K469-T478 WeakPolarHBondContact CE-OG1 3.08Å; K469-T478 PolarHBondContact NZ-OG1 3.01Å; K469-T479 PolarHBondContact NZ-O 3.26Å
470K92.1Very high86.7Confident84 Ų8464.2 Ų64.237%0.36536%0.363SS..EExtended strand (participates in β ladder)trans-69.6136.6167.3-178.1170.6179172.60109.7Y453 W468Y453-K470 HydrophobicContact CD2-CD 3.99Å; Y453-K470 HydrophobicContact CD2-CG 3.74Å; Y453-K470 HydrophobicContact CE2-CD 3.96Å; Y453-K470 HydrophobicContact CE2-CG 4.11Å; Y453-K470 HydrophobicContact CG-CD 4.36Å; Y453-K470 HydrophobicContact CG-CG 4.22Å; W468-K470 HydrophobicContact CZ3-CB 4.2Å
471V92.3Very high86.8Confident6 Ų668 Ų684%0.03639%0.385CS..EExtended strand (participates in β ladder)trans-133.1130.5-176.9179.50000108.6W443 Y453 F454 V456 K469 L475 T478W443-V471 HydrophobicContact CH2-CB 4.38Å; W443-V471 HydrophobicContact CH2-CG1 4.01Å; W443-V471 HydrophobicContact CH2-CG2 4.34Å; W443-V471 HydrophobicContact CZ2-CG1 4.02Å; Y453-V471 WeakPolarHBondContact CB-O 3.41Å; F454-V471 HydrophobicContact CB-CB 4.28Å; F454-V471 PolarHBondContact N-O 2.92Å; F454-V471 PolarHBondContact O-N 3.42Å; V456-V471 HydrophobicContact CG2-CG2 4.4Å; K469-V471 HydrophobicContact CG-CG2 4.47Å; V471-L475 HydrophobicContact CG1-CB 3.78Å; V471-L475 HydrophobicContact CG1-CD1 4.09Å; V471-T478 HydrophobicContact CG2-CG2 3.71Å
472L91.3Very high86.9Confident112 Ų11267.1 Ų67.159%0.58640%0.397SS*.EExtended strand (participates in β ladder)trans-62.5143.9-179.3-60.2176.6000111D474 L475L472-D474 PolarHBondContact O-N 2.81Å; L472-D474 VanDerWaalsContact O-N 3.07Å; L472-L475 HydrophobicContact CB-CD1 4.31Å; L472-L475 HydrophobicContact CB-CG 4.44Å; L472-L475 WeakPolarHBondContact O-CB 3.49Å; L472-L475 PolarHBondContact O-N 3.22Å
473K86.6Confident87.7Confident100 Ų10062.3 Ų62.344%0.43537%0.365SS..THydrogen-bonded Turntrans-53.5-30.8-175.663.6177.6-171.3169.70114.2L451 L475L451-K473 HydrophobicContact CD2-CB 3.89Å; L451-K473 HydrophobicContact CG-CB 3.92Å; L451-K473 WeakPolarHBondContact O-CD 3.35Å; K473-L475 VanDerWaalsContact C-N 3.25Å; K473-L475 PolarHBondContact O-N 2.87Å
474D86.6Confident88.5Confident121 Ų12164.9 Ų64.965%0.64737%0.367SS*.THydrogen-bonded Turntrans-78.8-11.8-175-41.9-79.2000112.1L472L472-D474 PolarHBondContact O-N 2.81Å; L472-D474 VanDerWaalsContact O-N 3.07Å
475L88.4Confident89.5Confident90 Ų9061.3 Ų61.347%0.47134%0.338SS..  trans-94.3120.8178.3-59.6175.7000110.9V471 L472 K473 G477V471-L475 HydrophobicContact CG1-CB 3.78Å; V471-L475 HydrophobicContact CG1-CD1 4.09Å; L472-L475 HydrophobicContact CB-CD1 4.31Å; L472-L475 HydrophobicContact CB-CG 4.44Å; L472-L475 WeakPolarHBondContact O-CB 3.49Å; L472-L475 PolarHBondContact O-N 3.22Å; K473-L475 VanDerWaalsContact C-N 3.25Å; K473-L475 PolarHBondContact O-N 2.87Å; L475-G477 VanDerWaalsContact C-N 3.25Å; L475-G477 PolarHBondContact O-N 3.13Å
476K86.4Confident90Very high117 Ų11759.7 Ų59.751%0.50932%0.322SS..SBendtrans-9021.3177.5-58.5-169.7-179.9-171.20113.2S442 W443S442-K476 CarbonylContact C-O 3.57Å; S442-K476 WeakPolarHBondContact CA-O 3.38Å; W443-K476 PolarHBondContact N-O 2.86Å
477G90.9Very high90.1Very high16 Ų1660.5 Ų60.517%0.16533%0.327CS..EExtended strand (participates in β ladder)trans178.2164.5178.500000114.9V441 L475V441-G477 CarbonylContact O-C 3.59Å; V441-G477 WeakPolarHBondContact O-CA 3.31Å; L475-G477 VanDerWaalsContact C-N 3.25Å; L475-G477 PolarHBondContact O-N 3.13Å
478T93Very high90.1Very high12 Ų1258.2 Ų58.27%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-152.1146.5174.1176.30000110.8V441 W443 V456 K469 V471V441-T478 PolarHBondContact N-O 2.95Å; V441-T478 PolarHBondContact O-N 2.89Å; W443-T478 HydrophobicContact CH2-CG2 4Å; W443-T478 HydrophobicContact CZ3-CG2 4.08Å; V456-T478 HydrophobicContact CB-CG2 4.22Å; V456-T478 HydrophobicContact CG2-CG2 3.69Å; K469-T478 WeakPolarHBondContact CD-OG1 3.34Å; K469-T478 WeakPolarHBondContact CE-OG1 3.08Å; K469-T478 PolarHBondContact NZ-OG1 3.01Å; V471-T478 HydrophobicContact CG2-CG2 3.71Å
479T92.2Very high89.9Confident60 Ų6058.7 Ų58.737%0.36832%0.316SS..EExtended strand (participates in β ladder)trans-81.2135.4163.3-51.10000110.8A438 A439 H440 K469 T481A438-T479 HydrophobicContact CB-CG2 4.02Å; A439-T479 WeakPolarHBondContact O-CA 3.45Å; H440-T479 PolarHBondContact ND1-OG1 2.77Å; H440-T479 VanDerWaalsContact ND1-OG1 3.13Å; K469-T479 PolarHBondContact NZ-O 3.26Å; T479-T481 HydrophobicContact CG2-CG2 4.26Å
480I91.6Very high89.8Confident1 Ų157.4 Ų57.41%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-107.1148.2166.459.3171.2000109.1A438 A439 V441 V456 W458 L483 V491 I509A438-I480 CarbonylContact C-O 3.53Å; A438-I480 WeakPolarHBondContact CA-O 3.48Å; A438-I480 WeakPolarHBondContact CB-O 3.14Å; A439-I480 HydrophobicContact CB-CG1 4.22Å; A439-I480 PolarHBondContact N-O 3.44Å; A439-I480 WeakPolarHBondContact O-CG1 3.25Å; A439-I480 PolarHBondContact O-N 3.17Å; V441-I480 HydrophobicContact CG2-CD1 3.92Å; V441-I480 HydrophobicContact CG2-CG1 3.92Å; V441-I480 HydrophobicContact CG2-CG2 4.18Å; V456-I480 HydrophobicContact CG1-CG2 4.17Å; W458-I480 HydrophobicContact CB-CD1 4.48Å; W458-I480 HydrophobicContact CD2-CB 4.31Å; W458-I480 HydrophobicContact CD2-CD1 4.3Å; W458-I480 HydrophobicContact CD2-CG2 4.09Å; W458-I480 HydrophobicContact CE3-CB 4.42Å; W458-I480 HydrophobicContact CE3-CG2 3.71Å; W458-I480 HydrophobicContact CG-CD1 4.19Å; W458-I480 HydrophobicContact CH2-CB 4.29Å; W458-I480 HydrophobicContact CH2-CG2 3.84Å; W458-I480 HydrophobicContact CZ2-CB 4.15Å; W458-I480 HydrophobicContact CZ2-CG2 4.18Å; W458-I480 HydrophobicContact CZ3-CB 4.41Å; W458-I480 HydrophobicContact CZ3-CG2 3.57Å; I480-L483 HydrophobicContact CD1-CD1 3.93Å; I480-L483 HydrophobicContact CD1-CD2 4.35Å; I480-L483 HydrophobicContact CG1-CD1 4.03Å; I480-V491 HydrophobicContact CD1-CG2 4.1Å; I480-I509 HydrophobicContact CD1-CD1 4.37Å
481T91.3Very high89.8Confident96 Ų9653.5 Ų53.559%0.58930%0.296SS*.EExtended strand (participates in β ladder)trans-140.2159.7-16552.30000111.2S437 A438 T479S437-T481 CarbonylContact O-C 3.48Å; A438-T481 HydrophobicContact CB-CG2 4.04Å; T479-T481 HydrophobicContact CG2-CG2 4.26Å
482G86.9Confident89.7Confident61 Ų6153.6 Ų53.663%0.62930%0.297SS*.  trans81.924.4-176.400000113.1S437S437-G482 PolarHBondContact O-N 2.87Å
483L89.8Confident89.7Confident6 Ų648.3 Ų48.33%0.03127%0.27CS..  trans-85147.2176.8-54.6-176.9000110.8S437 A439 I480 Y489 I509 S511S437-L483 WeakPolarHBondContact CA-O 3.44Å; S437-L483 PolarHBondContact O-N 2.88Å; A439-L483 HydrophobicContact CB-CD1 3.8Å; I480-L483 HydrophobicContact CD1-CD1 3.93Å; I480-L483 HydrophobicContact CD1-CD2 4.35Å; I480-L483 HydrophobicContact CG1-CD1 4.03Å; L483-Y489 HydrophobicContact CB-CE2 4.06Å; L483-Y489 HydrophobicContact CD2-CD1 3.99Å; L483-Y489 HydrophobicContact CD2-CD2 4.17Å; L483-Y489 HydrophobicContact CD2-CE1 3.86Å; L483-Y489 HydrophobicContact CD2-CE2 4.05Å; L483-Y489 HydrophobicContact CD2-CG 4.15Å; L483-I509 HydrophobicContact CD1-CD1 4.26Å; L483-S511 VanDerWaalsContact CB-CB 3.48Å
484M88.6Confident89.9Confident120 Ų12045.2 Ų45.259%0.59126%0.255SS*.  trans-106.6133.4-179.2-65.5-64.4177.100111.6V487 Y489 S511M484-V487 HydrophobicContact CB-CB 4.12Å; M484-V487 HydrophobicContact CB-CG2 3.71Å; M484-V487 WeakPolarHBondContact O-CB 3.34Å; M484-V487 PolarHBondContact O-N 3.1Å; M484-Y489 PolarHBondContact N-OH 2.91Å; M484-S511 PolarHBondContact O-OG 2.59Å
485A89.3Confident90Very high18 Ų1839.4 Ų39.415%0.14922%0.224CC..THydrogen-bonded Turntrans-62.1139.8177.300000111.6V487 R512 Q514 R545A485-V487 PolarHBondContact O-N 2.91Å; A485-R512 CarbonylContact C-O 3.58Å; A485-R512 WeakPolarHBondContact CA-O 3.15Å; A485-R512 HydrophobicContact CB-CB 4.18Å; A485-Q514 HydrophobicContact CB-CG 4.21Å; A485-Q514 PolarHBondContact O-OE1 3.05Å; A485-R545 PolarHBondContact O-NH2 2.68Å
486G87.9Confident90.1Very high5 Ų535.3 Ų35.35%0.05220%0.203CC..THydrogen-bonded Turntrans65.811.4-175.800000115.4R512 R545G486-R512 PolarHBondContact N-O 2.84Å; G486-R545 WeakPolarHBondContact CA-O 3.37Å; G486-R545 WeakPolarHBondContact O-CA 3.08Å; G486-R545 PolarHBondContact O-NE 3.36Å
487V89.9Confident90.2Very high46 Ų4629.8 Ų29.828%0.27918%0.179SC..  trans-102.5133.3169.7178.40000109.1M484 A485 Y489 Y510M484-V487 HydrophobicContact CB-CB 4.12Å; M484-V487 HydrophobicContact CB-CG2 3.71Å; M484-V487 WeakPolarHBondContact O-CB 3.34Å; M484-V487 PolarHBondContact O-N 3.1Å; A485-V487 PolarHBondContact O-N 2.91Å; V487-Y489 HydrophobicContact CB-CE2 3.87Å; V487-Y489 HydrophobicContact CG1-CD2 4.42Å; V487-Y489 HydrophobicContact CG1-CE2 3.83Å; V487-Y489 WeakPolarHBondContact O-CD2 3.08Å; V487-Y510 VanDerWaalsContact O-CD1 3.23Å; V487-Y510 WeakPolarHBondContact O-CD1 3.2Å
488R90.3Very high89.9Confident61 Ų6133 Ų3323%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-82.3133.8176.3-164.3-177-178.1142.5-9109.3M461 I509 Y510 Q541M461-R488 HydrophobicContact CB-CB 4.44Å; M461-R488 PolarHBondContact N-O 2.89Å; R488-I509 WeakPolarHBondContact CA-O 3.31Å; R488-Y510 HydrophobicContact CB-CD1 4.22Å; R488-Y510 HydrophobicContact CB-CE1 3.58Å; R488-Y510 HydrophobicContact CB-CE2 4.34Å; R488-Y510 HydrophobicContact CG-CE1 4.23Å; R488-Y510 HydrophobicContact CG-CE2 4.08Å; R488-Q541 VanDerWaalsContact CD-CD 3.4Å
489Y90.1Very high89.5Confident21 Ų2138.3 Ų38.38%0.08221%0.214CC..EExtended strand (participates in β ladder)trans-117.7147.1171.1-63.4-94.4000109.6E459 L483 M484 V487 P508 I509E459-Y489 CarbonylContact O-C 3.21Å; E459-Y489 WeakPolarHBondContact O-CA 3.34Å; L483-Y489 HydrophobicContact CB-CE2 4.06Å; L483-Y489 HydrophobicContact CD2-CD1 3.99Å; L483-Y489 HydrophobicContact CD2-CD2 4.17Å; L483-Y489 HydrophobicContact CD2-CE1 3.86Å; L483-Y489 HydrophobicContact CD2-CE2 4.05Å; L483-Y489 HydrophobicContact CD2-CG 4.15Å; M484-Y489 PolarHBondContact N-OH 2.91Å; V487-Y489 HydrophobicContact CB-CE2 3.87Å; V487-Y489 HydrophobicContact CG1-CD2 4.42Å; V487-Y489 HydrophobicContact CG1-CE2 3.83Å; V487-Y489 WeakPolarHBondContact O-CD2 3.08Å; Y489-P508 CarbonylContact O-C 3.58Å; Y489-P508 WeakPolarHBondContact O-CA 3.35Å; Y489-I509 PolarHBondContact N-O 3.1Å; Y489-I509 PolarHBondContact O-N 3.47Å
490N90.8Very high89.2Confident52 Ų5235.4 Ų35.428%0.27820%0.197SC..EExtended strand (participates in β ladder)trans-99.8125.4163.9-172.232000108W458 E459W458-N490 VanDerWaalsContact CA-O 3.24Å; W458-N490 WeakPolarHBondContact CA-O 3.37Å; E459-N490 PolarHBondContact N-O 2.79Å; E459-N490 VanDerWaalsContact N-O 3.07Å; E459-N490 PolarHBondContact O-N 2.85Å
491V91.4Very high89.1Confident2 Ų235.5 Ų35.51%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-111.2117.3179.2-178.40000109.2V441 V456 E457 W458 I480 S506 T507 I509V441-V491 HydrophobicContact CG1-CG1 4.32Å; V441-V491 HydrophobicContact CG2-CG1 4.34Å; V456-V491 HydrophobicContact CG1-CG1 3.82Å; E457-V491 CarbonylContact O-C 3.09Å; E457-V491 WeakPolarHBondContact O-CA 3.01Å; W458-V491 HydrophobicContact CB-CG2 4.01Å; I480-V491 HydrophobicContact CD1-CG2 4.1Å; V491-S506 CarbonylContact O-C 3.6Å; V491-S506 WeakPolarHBondContact O-CA 3.4Å; V491-T507 PolarHBondContact N-O 2.74Å; V491-T507 PolarHBondContact O-N 3.1Å; V491-I509 HydrophobicContact CG2-CD1 3.63Å; V491-I509 HydrophobicContact CG2-CG1 3.91Å; V491-I509 HydrophobicContact CG2-CG2 4.35Å
492S90.7Very high88.9Confident8 Ų831.1 Ų31.16%0.05617%0.171CC..EExtended strand (participates in β ladder)trans-105.7124.5179-65.50000110.7E457 T505 S506E457-S492 PolarHBondContact N-O 3Å; E457-S492 PolarHBondContact O-N 3.33Å; S492-T505 WeakPolarHBondContact CA-O 3.49Å; S492-S506 PolarHBondContact OG-OG 2.82Å
493L91.3Very high88.8Confident2 Ų230.3 Ų30.31%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-100.7123.5171176.665.6000110.2F426 V428 W443 F454 V456 P504 T505F426-L493 HydrophobicContact CB-CD2 3.71Å; F426-L493 HydrophobicContact CD2-CD2 4.04Å; F426-L493 HydrophobicContact CD2-CG 4.3Å; F426-L493 HydrophobicContact CG-CD2 3.83Å; V428-L493 HydrophobicContact CG2-CB 4.15Å; V428-L493 HydrophobicContact CG2-CD2 3.89Å; W443-L493 HydrophobicContact CB-CD2 3.68Å; W443-L493 HydrophobicContact CD2-CD1 4.08Å; W443-L493 HydrophobicContact CD2-CD2 3.62Å; W443-L493 HydrophobicContact CE3-CD1 4.15Å; W443-L493 HydrophobicContact CE3-CD2 4.01Å; W443-L493 HydrophobicContact CG-CD2 3.46Å; W443-L493 VanDerWaalsContact CG-CD2 3.46Å; W443-L493 HydrophobicContact CH2-CD1 4.27Å; W443-L493 HydrophobicContact CZ2-CD1 4.19Å; W443-L493 HydrophobicContact CZ3-CD1 4.24Å; F454-L493 HydrophobicContact CB-CD1 4.07Å; F454-L493 HydrophobicContact CD1-CD1 4.04Å; F454-L493 HydrophobicContact CG-CD1 4.32Å; V456-L493 HydrophobicContact CG2-CD1 3.87Å; L493-P504 WeakPolarHBondContact O-CA 3.37Å; L493-T505 PolarHBondContact N-O 2.04Å; L493-T505 PolarHBondContact O-N 3.43Å
494Y90.1Very high88.7Confident34 Ų3432.7 Ų32.713%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-112.2140.1173.1-61.9-97.6000110.4W336 F454 V455 E457 V501 P504W336-Y494 HydrophobicContact CH2-CD1 4.29Å; W336-Y494 HydrophobicContact CH2-CD2 4.25Å; W336-Y494 AromaticContact CH2-CG 3.93Å; W336-Y494 HydrophobicContact CH2-CG 3.93Å; W336-Y494 HydrophobicContact CZ2-CD1 4.15Å; W336-Y494 AromaticContact CZ2-CD2 3.64Å; W336-Y494 HydrophobicContact CZ2-CD2 3.64Å; W336-Y494 HydrophobicContact CZ2-CE1 4.41Å; W336-Y494 AromaticContact CZ2-CE2 3.95Å; W336-Y494 HydrophobicContact CZ2-CE2 3.95Å; W336-Y494 AromaticContact CZ2-CG 3.74Å; W336-Y494 HydrophobicContact CZ2-CG 3.74Å; F454-Y494 CarbonylContact C-O 3.59Å; F454-Y494 WeakPolarHBondContact CA-O 3.49Å; V455-Y494 PolarHBondContact N-O 3.03Å; V455-Y494 PolarHBondContact O-N 2.74Å; E457-Y494 HydrophobicContact CB-CD2 4.38Å; E457-Y494 HydrophobicContact CB-CE2 3.99Å; E457-Y494 WeakPolarHBondContact OE1-CE2 3.34Å; E457-Y494 PolarHBondContact OE1-OH 2.87Å; Y494-V501 HydrophobicContact CD1-CG1 3.83Å; Y494-V501 HydrophobicContact CG-CG1 4.37Å; Y494-P504 HydrophobicContact CD1-CB 4.03Å; Y494-P504 HydrophobicContact CD2-CB 4.42Å; Y494-P504 HydrophobicContact CE1-CB 3.61Å; Y494-P504 HydrophobicContact CE1-CG 3.82Å; Y494-P504 HydrophobicContact CE2-CB 4.02Å; Y494-P504 HydrophobicContact CG-CB 4.43Å
495A89.5Confident88.7Confident0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-96.9140.3162.300000110.1F426 L451 F454 V501 S502F426-A495 HydrophobicContact CE2-CB 3.95Å; F426-A495 HydrophobicContact CZ-CB 3.59Å; L451-A495 HydrophobicContact CD1-CB 3.91Å; F454-A495 HydrophobicContact CD1-CB 4.1Å; F454-A495 HydrophobicContact CE1-CB 4.06Å; A495-V501 WeakPolarHBondContact O-CA 3.47Å; A495-S502 PolarHBondContact N-OG 3.29Å; A495-S502 PolarHBondContact O-N 3.45Å
496V89.6Confident88.7Confident4 Ų430.2 Ų30.22%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-114119.1173.8-174.40000108.2W336 L452 Y453 V455 V501W336-V496 HydrophobicContact CH2-CG2 4.47Å; W336-V496 HydrophobicContact CZ3-CG2 4.07Å; L452-V496 WeakPolarHBondContact CB-O 3.46Å; L452-V496 PolarHBondContact N-O 2.81Å; Y453-V496 HydrophobicContact CD2-CB 3.93Å; Y453-V496 HydrophobicContact CD2-CG2 3.86Å; Y453-V496 HydrophobicContact CE1-CB 4.36Å; Y453-V496 HydrophobicContact CE1-CG1 4.11Å; Y453-V496 HydrophobicContact CE2-CB 3.77Å; Y453-V496 HydrophobicContact CE2-CG1 4.06Å; Y453-V496 HydrophobicContact CE2-CG2 3.52Å; Y453-V496 HydrophobicContact CG-CB 4.32Å; Y453-V496 PolarHBondContact N-O 2.9Å; Y453-V496 WeakPolarHBondContact O-CB 3.49Å; Y453-V496 PolarHBondContact O-N 2.66Å; V455-V496 HydrophobicContact CG2-CG2 4.28Å; V496-V501 HydrophobicContact CG1-CG2 4.39Å; V496-V501 HydrophobicContact CG2-CG1 4.41Å; V496-V501 HydrophobicContact CG2-CG2 4.21Å
497T88.4Confident88.7Confident1 Ų131.9 Ų31.91%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-119.5169.4-174.671.40000111D450 R499 G500D450-T497 CarbonylContact O-C 3.56Å; D450-T497 WeakPolarHBondContact O-CA 3.43Å; D450-T497 WeakPolarHBondContact O-CB 3.43Å; T497-R499 PolarHBondContact O-N 3.22Å; T497-R499 VanDerWaalsContact O-N 3.14Å; T497-R499 PolarHBondContact OG1-N 2.63Å; T497-G500 PolarHBondContact N-O 2.83Å; T497-G500 PolarHBondContact O-N 2.89Å; T497-G500 PolarHBondContact OG1-N 2.81Å; T497-G500 PolarHBondContact OG1-O 2.88Å
498T85.9Confident88.7Confident82 Ų8232.2 Ų32.250%0.50318%0.178SC..THydrogen-bonded Turntrans-57.8-20.4170.255.70000114D450 L452D450-T498 WeakPolarHBondContact CB-OG1 3.27Å; D450-T498 PolarHBondContact O-N 3.42Å; D450-T498 PolarHBondContact OD1-OG1 3.02Å; L452-T498 HydrophobicContact CD2-CG2 4.01Å; L452-T498 HydrophobicContact CG-CG2 4.43Å
499R83.9Confident88.6Confident124 Ų12429.9 Ų29.947%0.46817%0.17SC..THydrogen-bonded Turntrans-87.7-11.4175.3-68.5-174-71.5-83.1-6.2114.1D450 T497D450-R499 VanDerWaalsContact CG-NH1 3.3Å; D450-R499 IonicContact OD1-NH1 2.67Å; D450-R499 IonicContact OD2-CZ 3.28Å; D450-R499 IonicContact OD2-NH1 3.05Å; D450-R499 PolarHBondContact OD2-NH1 3.2Å; D450-R499 IonicContact OD2-NH2 2.66Å; D450-R499 PolarHBondContact OD2-NH2 2.75Å; T497-R499 PolarHBondContact O-N 3.22Å; T497-R499 VanDerWaalsContact O-N 3.14Å; T497-R499 PolarHBondContact OG1-N 2.63Å
500G86.1Confident88.5Confident0 Ų029.7 Ų29.70%017%0.169CC..EExtended strand (participates in β ladder)trans123-163.4-172.100000113.1T497T497-G500 PolarHBondContact N-O 2.83Å; T497-G500 PolarHBondContact O-N 2.89Å; T497-G500 PolarHBondContact OG1-N 2.81Å; T497-G500 PolarHBondContact OG1-O 2.88Å
501V89.1Confident88.4Confident3 Ų327.2 Ų27.22%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-94.6138-175-172.70000111.3W336 R337 K418 H419 A420 Y494 A495 V496W336-V501 HydrophobicContact CH2-CG1 3.88Å; R337-V501 VanDerWaalsContact NH2-CG2 3.28Å; K418-V501 PolarHBondContact O-N 2.81Å; K418-V501 VanDerWaalsContact O-N 3.16Å; H419-V501 CarbonylContact C-O 3.59Å; H419-V501 WeakPolarHBondContact CA-O 3.48Å; A420-V501 PolarHBondContact N-O 3.1Å; Y494-V501 HydrophobicContact CD1-CG1 3.83Å; Y494-V501 HydrophobicContact CG-CG1 4.37Å; A495-V501 WeakPolarHBondContact O-CA 3.47Å; V496-V501 HydrophobicContact CG1-CG2 4.39Å; V496-V501 HydrophobicContact CG2-CG1 4.41Å; V496-V501 HydrophobicContact CG2-CG2 4.21Å
502S87.4Confident88.3Confident4 Ų432 Ų323%0.02817%0.174CC..PPolyproline II helixtrans-65.1166.7175.777.40000112.6A495A495-S502 PolarHBondContact N-OG 3.29Å; A495-S502 PolarHBondContact O-N 3.45Å
503A85.4Confident88.3Confident44 Ų4433.5 Ų33.536%0.36418%0.18SC..PPolyproline II helixtrans-62.5147.1155.500000109.7
504P87.1Confident88.3Confident55 Ų5536.6 Ų36.636%0.35720%0.195SC..PPolyproline II helixtrans-71.9142.4175.726.2-30.3000111.7L493 Y494L493-P504 WeakPolarHBondContact O-CA 3.37Å; Y494-P504 HydrophobicContact CD1-CB 4.03Å; Y494-P504 HydrophobicContact CD2-CB 4.42Å; Y494-P504 HydrophobicContact CE1-CB 3.61Å; Y494-P504 HydrophobicContact CE1-CG 3.82Å; Y494-P504 HydrophobicContact CE2-CB 4.02Å; Y494-P504 HydrophobicContact CG-CB 4.43Å
505T88.5Confident88.5Confident28 Ų2840.8 Ų40.817%0.17221%0.213CC..EExtended strand (participates in β ladder)trans-90.4106.9153.5-58.90000108.3F426 V428 S492 L493F426-T505 PolarHBondContact N-OG1 2.9Å; F426-T505 WeakPolarHBondContact O-CG2 3.45Å; V428-T505 HydrophobicContact CG2-CG2 4.05Å; S492-T505 WeakPolarHBondContact CA-O 3.49Å; L493-T505 PolarHBondContact N-O 2.04Å; L493-T505 PolarHBondContact O-N 3.43Å
506S88.3Confident88.8Confident58 Ų5840.9 Ų40.941%0.40621%0.214SC..EExtended strand (participates in β ladder)trans-96.5137.7178.2-56.80000111.9V491 S492V491-S506 CarbonylContact O-C 3.6Å; V491-S506 WeakPolarHBondContact O-CA 3.4Å; S492-S506 PolarHBondContact OG-OG 2.82Å
507T88.3Confident89Confident41 Ų4145.9 Ų45.925%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-139.7125.6177.8-62.20000110.5L430 V491 I509L430-T507 HydrophobicContact CD1-CG2 3.69Å; V491-T507 PolarHBondContact N-O 2.74Å; V491-T507 PolarHBondContact O-N 3.1Å; T507-I509 HydrophobicContact CG2-CG2 4.49Å
508P89.8Confident89.1Confident53 Ų5347.1 Ų47.134%0.34425%0.249SC..EExtended strand (participates in β ladder)trans-75.6142.5175.531.1-34.1000111.4Y489 F547Y489-P508 CarbonylContact O-C 3.58Å; Y489-P508 WeakPolarHBondContact O-CA 3.35Å; P508-F547 HydrophobicContact CB-CE1 4.48Å; P508-F547 HydrophobicContact CB-CZ 4.35Å; P508-F547 HydrophobicContact CG-CE1 4.48Å; P508-F547 HydrophobicContact CG-CZ 4.48Å; P508-F547 WeakPolarHBondContact O-CZ 3.09Å
509I88.3Confident89.4Confident11 Ų1144.3 Ų44.36%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-140.3164.4-179.473167.1000112.5L430 A439 I480 L483 R488 Y489 V491 T507L430-I509 HydrophobicContact CD1-CG2 3.5Å; L430-I509 VanDerWaalsContact CD1-CG2 3.5Å; L430-I509 HydrophobicContact CD2-CD1 4.44Å; L430-I509 HydrophobicContact CD2-CG2 4Å; L430-I509 HydrophobicContact CG-CG2 4.23Å; A439-I509 HydrophobicContact CB-CD1 4.37Å; I480-I509 HydrophobicContact CD1-CD1 4.37Å; L483-I509 HydrophobicContact CD1-CD1 4.26Å; R488-I509 WeakPolarHBondContact CA-O 3.31Å; Y489-I509 PolarHBondContact N-O 3.1Å; Y489-I509 PolarHBondContact O-N 3.47Å; V491-I509 HydrophobicContact CG2-CD1 3.63Å; V491-I509 HydrophobicContact CG2-CG1 3.91Å; V491-I509 HydrophobicContact CG2-CG2 4.35Å; T507-I509 HydrophobicContact CG2-CG2 4.49Å
510Y89.1Confident89.8Confident17 Ų1738.7 Ų38.77%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-123.2139155.1-65.7-92.5000107.6V487 R488 R512 E513 G546 F547V487-Y510 VanDerWaalsContact O-CD1 3.23Å; V487-Y510 WeakPolarHBondContact O-CD1 3.2Å; R488-Y510 HydrophobicContact CB-CD1 4.22Å; R488-Y510 HydrophobicContact CB-CE1 3.58Å; R488-Y510 HydrophobicContact CB-CE2 4.34Å; R488-Y510 HydrophobicContact CG-CE1 4.23Å; R488-Y510 HydrophobicContact CG-CE2 4.08Å; Y510-R512 VanDerWaalsContact C-N 3.34Å; Y510-E513 HydrophobicContact CD2-CG 4.29Å; Y510-E513 HydrophobicContact CG-CG 4.22Å; Y510-G546 VanDerWaalsContact CE2-CA 3.4Å; Y510-G546 VanDerWaalsContact CE2-O 3.26Å; Y510-G546 WeakPolarHBondContact CE2-O 3.34Å; Y510-G546 VanDerWaalsContact CZ-C 3.49Å; Y510-G546 VanDerWaalsContact CZ-CA 3.47Å; Y510-G546 VanDerWaalsContact CZ-N 3.32Å; Y510-G546 VanDerWaalsContact CZ-O 3.28Å; Y510-G546 PolarHBondContact OH-N 2.86Å; Y510-G546 PolarHBondContact OH-O 2.71Å; Y510-F547 HydrophobicContact CD2-CD1 4.48Å; Y510-F547 AromaticContact CD2-CD2 3.78Å; Y510-F547 HydrophobicContact CD2-CD2 3.78Å; Y510-F547 HydrophobicContact CD2-CE1 4.31Å; Y510-F547 AromaticContact CD2-CE2 3.59Å; Y510-F547 HydrophobicContact CD2-CE2 3.59Å; Y510-F547 HydrophobicContact CD2-CG 4.23Å; Y510-F547 AromaticContact CD2-CZ 3.86Å; Y510-F547 HydrophobicContact CD2-CZ 3.86Å; Y510-F547 AromaticContact CE2-CD1 3.96Å; Y510-F547 HydrophobicContact CE2-CD1 3.96Å; Y510-F547 HydrophobicContact CE2-CD2 4.05Å; Y510-F547 AromaticContact CE2-CE1 3.92Å; Y510-F547 HydrophobicContact CE2-CE1 3.92Å; Y510-F547 HydrophobicContact CE2-CE2 4.02Å; Y510-F547 HydrophobicContact CE2-CG 4.02Å; Y510-F547 AromaticContact CE2-CZ 3.95Å; Y510-F547 HydrophobicContact CE2-CZ 3.95Å
511S87.9Confident90Very high0 Ų042.5 Ų42.50%024%0.236CC..SBendtrans-73.4-28.8177.261.90000113P432 G436 L483 M484P432-S511 WeakPolarHBondContact CB-O 2.99Å; G436-S511 WeakPolarHBondContact O-CB 3.25Å; G436-S511 PolarHBondContact O-OG 3.23Å; L483-S511 VanDerWaalsContact CB-CB 3.48Å; M484-S511 PolarHBondContact O-OG 2.59Å
512R88.9Confident90.1Very high102 Ų10242.9 Ų42.939%0.38524%0.238SC..SBendtrans-156.8126.4161.4179.8174.760.8-141.1-12.3107.2A434 D435 A485 G486 Y510A434-R512 PolarHBondContact O-NH1 2.85Å; D435-R512 VanDerWaalsContact O-CZ 3.23Å; D435-R512 PolarHBondContact O-NH1 2.67Å; D435-R512 PolarHBondContact O-NH2 2.91Å; D435-R512 VanDerWaalsContact O-NH2 3.11Å; A485-R512 CarbonylContact C-O 3.58Å; A485-R512 WeakPolarHBondContact CA-O 3.15Å; A485-R512 HydrophobicContact CB-CB 4.18Å; G486-R512 PolarHBondContact N-O 2.84Å; Y510-R512 VanDerWaalsContact C-N 3.34Å
513E91.5Very high90.2Very high40 Ų4045.2 Ų45.219%0.18725%0.249CC..  trans-68.6153174.8-61.5-174.9-119.900110.8Y510 R545 G546 F547 N594 S595 A596Y510-E513 HydrophobicContact CD2-CG 4.29Å; Y510-E513 HydrophobicContact CG-CG 4.22Å; E513-R545 WeakPolarHBondContact CA-O 3.41Å; E513-G546 WeakPolarHBondContact OE2-CA 3.38Å; E513-F547 PolarHBondContact OE2-N 3.18Å; E513-N594 WeakPolarHBondContact OE2-CB 3.23Å; E513-S595 WeakPolarHBondContact OE1-CB 3.34Å; E513-S595 PolarHBondContact OE1-OG 3.03Å; E513-S595 PolarHBondContact OE2-N 3.33Å; E513-S595 PolarHBondContact OE2-OG 3.26Å; E513-A596 HydrophobicContact CB-CB 4.26Å; E513-A596 WeakPolarHBondContact O-CB 3.46Å
514Q91.9Very high90.4Very high68 Ų6845.5 Ų45.532%0.31825%0.246SC..  trans-133.5151.1170.5-61-166.2-81.100108.6A485 R545 N594A485-Q514 HydrophobicContact CB-CG 4.21Å; A485-Q514 PolarHBondContact O-OE1 3.05Å; Q514-R545 HydrophobicContact CB-CB 4.48Å; Q514-R545 PolarHBondContact N-O 2.82Å; Q514-R545 CarbonylContact O-C 3.57Å; Q514-R545 WeakPolarHBondContact O-CB 3.28Å; Q514-R545 VanDerWaalsContact O-O 3.12Å; Q514-R545 VanDerWaalsContact OE1-NH1 3.15Å; Q514-N594 PolarHBondContact O-ND2 3.04Å
515K93.6Very high90.4Very high121 Ų12146.4 Ų46.453%0.52625%0.248SC..  trans-50142.4-178.2-67.3177.1168.9-162.70111.4L517 A596 E598K515-L517 PolarHBondContact O-N 3.39Å; K515-A596 VanDerWaalsContact CE-O 3.31Å; K515-A596 WeakPolarHBondContact CE-O 3.45Å; K515-A596 HydrophobicContact CG-CB 4.46Å; K515-A596 VanDerWaalsContact CG-O 3.26Å; K515-A596 WeakPolarHBondContact CG-O 3.49Å; K515-E598 WeakPolarHBondContact CD-O 3.16Å
516P95.2Very high90.1Very high3 Ų348.4 Ų48.42%0.01926%0.259CS..  trans-54.6137.6177.9-25.135000111.4S518 L539 Q543 I548 A592 P600P516-S518 VanDerWaalsContact C-N 3.3Å; P516-S518 PolarHBondContact O-N 2.89Å; P516-L539 HydrophobicContact CB-CD1 4.01Å; P516-Q543 CarbonylContact C-O 3.56Å; P516-Q543 VanDerWaalsContact CA-O 3.31Å; P516-Q543 WeakPolarHBondContact CA-O 3.4Å; P516-I548 HydrophobicContact CG-CD1 3.94Å; P516-A592 HydrophobicContact CB-CB 4.46Å; P516-A592 HydrophobicContact CG-CB 4.12Å; P516-P600 WeakPolarHBondContact O-CD 3.27Å
517L93.4Very high89.7Confident109 Ų10947.5 Ų47.557%0.57125%0.247SC*.SBendtrans-71.5-26.9-176.9-69.4-179.8000113K515 Q543 R545K515-L517 PolarHBondContact O-N 3.39Å; L517-Q543 PolarHBondContact N-O 3.5Å; L517-R545 HydrophobicContact CD1-CG 4.47Å; L517-R545 VanDerWaalsContact CG-CD 3.48Å; L517-R545 HydrophobicContact CG-CG 4.2Å
518S92.1Very high89.3Confident27 Ų2749.1 Ų49.119%0.18925%0.252CS..SBendtrans-136.6165-172.3620000110.5P516 L539 Q543P516-S518 VanDerWaalsContact C-N 3.3Å; P516-S518 PolarHBondContact O-N 2.89Å; S518-L539 VanDerWaalsContact OG-CD2 3.25Å; S518-L539 WeakPolarHBondContact OG-CD2 3.06Å; S518-Q543 WeakPolarHBondContact OG-CB 3.36Å; S518-Q543 PolarHBondContact OG-OE1 3.26Å
519A91.7Very high88.5Confident23 Ų2350.3 Ų50.319%0.1927%0.266CS..  trans-91.3145.4171.900000110.5P600 G602A519-P600 WeakPolarHBondContact CB-O 3.19Å; A519-G602 VanDerWaalsContact CB-N 3.25Å
520P91.8Very high88Confident5 Ų557.9 Ų57.93%0.03229%0.294CS..  trans-65.6152.1170.7-3.115.9000111L522 D537 L539 Y551 L590 A592P520-L522 PolarHBondContact O-N 2.97Å; P520-D537 WeakPolarHBondContact CB-O 3.47Å; P520-L539 HydrophobicContact CB-CD2 4.38Å; P520-L539 HydrophobicContact CB-CG 4.19Å; P520-L539 HydrophobicContact CG-CD1 4.2Å; P520-L539 HydrophobicContact CG-CD2 4.47Å; P520-L539 HydrophobicContact CG-CG 4.02Å; P520-Y551 HydrophobicContact CB-CE1 4.45Å; P520-Y551 HydrophobicContact CG-CD1 3.88Å; P520-Y551 HydrophobicContact CG-CE1 3.66Å; P520-L590 HydrophobicContact CB-CD2 3.71Å; P520-L590 HydrophobicContact CB-CG 4.41Å; P520-L590 HydrophobicContact CG-CD2 3.87Å; P520-L590 HydrophobicContact CG-CG 4.05Å; P520-A592 HydrophobicContact CG-CB 3.97Å
521V89.9Confident87.9Confident80 Ų8061.6 Ų61.649%0.48531%0.308SS..  trans-80.1116179.6-173.80000109.7H523 W536 D537V521-H523 PolarHBondContact O-CD2 3.48Å; V521-W536 VanDerWaalsContact O-CA 3.23Å; V521-W536 WeakPolarHBondContact O-CA 3.22Å; V521-W536 WeakPolarHBondContact O-CB 3.49Å; V521-D537 PolarHBondContact O-N 2.89Å
522L91.3Very high87.9Confident11 Ų1161.6 Ų61.66%0.05831%0.308CS..EExtended strand (participates in β ladder)trans-90129.7176-175.471.2000111P520 V534 W536 L588 L590P520-L522 PolarHBondContact O-N 2.97Å; L522-V534 HydrophobicContact CD1-CB 3.99Å; L522-V534 HydrophobicContact CD1-CG1 4.44Å; L522-V534 HydrophobicContact CD1-CG2 4.38Å; L522-W536 HydrophobicContact CD1-CB 4.36Å; L522-W536 HydrophobicContact CD1-CE3 4.31Å; L522-L588 HydrophobicContact CD2-CB 3.67Å; L522-L588 HydrophobicContact CD2-CD1 4.4Å; L522-L590 HydrophobicContact CB-CB 4.07Å; L522-L590 HydrophobicContact CB-CD2 4.06Å; L522-L590 HydrophobicContact CD1-CD2 4.17Å; L522-L590 HydrophobicContact CD2-CB 4.37Å
523H90.3Very high88Confident53 Ų5357.8 Ų57.825%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-120132176.5-51.7-97.8000110.4V521 V534 R535 D537V521-H523 PolarHBondContact O-CD2 3.48Å; H523-V534 WeakPolarHBondContact O-CA 3.26Å; H523-R535 HydrophobicContact CB-CG 3.88Å; H523-R535 VanDerWaalsContact CD2-CZ 3.48Å; H523-R535 PolarHBondContact CD2-NH1 3.43Å; H523-R535 PolarHBondContact CD2-NH2 3.09Å; H523-R535 PolarHBondContact CE1-NH2 3.17Å; H523-R535 PolarHBondContact N-O 2.63Å; H523-R535 PolarHBondContact ND1-NH2 3.22Å; H523-R535 PolarHBondContact O-N 2.89Å; H523-D537 IonicContact CD2-OD1 3.86Å; H523-D537 IonicContact CD2-OD2 3.39Å; H523-D537 IonicContact CE1-OD2 2.62Å; H523-D537 IonicContact NE2-OD1 3.57Å; H523-D537 IonicContact NE2-OD2 3.14Å; H523-D537 PolarHBondContact NE2-OD2 2.84Å
524V88.9Confident88Confident51 Ų5155.9 Ų55.931%0.30929%0.286SS..EExtended strand (participates in β ladder)trans-86.2126.2167.8173.40000108.3I532 V534 L588 T605V524-I532 HydrophobicContact CG1-CD1 3.76Å; V524-I532 HydrophobicContact CG1-CG1 3.88Å; V524-I532 HydrophobicContact CG2-CD1 4.03Å; V524-V534 HydrophobicContact CG2-CG1 4.22Å; V524-L588 HydrophobicContact CG2-CD1 3.7Å; V524-T605 HydrophobicContact CG2-CG2 3.93Å
525L87.8Confident88.1Confident74 Ų7456.5 Ų56.539%0.38729%0.286SS..EExtended strand (participates in β ladder)trans-95.7-42.5178.1-67.7-180000112.6L533 R535 Q576L525-L533 HydrophobicContact CB-CB 4.37Å; L525-L533 HydrophobicContact CB-CD2 4.07Å; L525-L533 HydrophobicContact CB-CG 4.02Å; L525-L533 HydrophobicContact CD1-CD2 4.09Å; L525-L533 HydrophobicContact CD1-CG 4.08Å; L525-L533 PolarHBondContact N-O 2.95Å; L525-R535 HydrophobicContact CD1-CB 4.12Å; L525-R535 HydrophobicContact CD1-CG 4.05Å; L525-R535 HydrophobicContact CD2-CG 4.08Å; L525-R535 HydrophobicContact CG-CB 4.48Å; L525-R535 HydrophobicContact CG-CG 4.01Å; L525-Q576 HydrophobicContact CD1-CG 4.4Å
526T82.9Confident88Confident69 Ų6951 Ų5142%0.42326%0.262SS..EExtended strand (participates in β ladder)trans-157.3144.3-174.6-55.10000109.5I532 L533 W578T526-I532 WeakPolarHBondContact O-CG1 3.33Å; T526-L533 PolarHBondContact N-O 3.1Å; T526-L533 PolarHBondContact O-N 2.7Å; T526-W578 HydrophobicContact CG2-CH2 4.48Å
527R78.9Confident87.8Confident40 Ų4054 Ų5415%0.15128%0.277CS..EExtended strand (participates in β ladder)trans-127.1133.1171.2-177.2170-176.1174.5-1.3110.6I532 G584 S607 Q608R527-I532 HydrophobicContact CB-CD1 4.23Å; R527-I532 HydrophobicContact CB-CG1 4.02Å; R527-I532 HydrophobicContact CG-CD1 4.3Å; R527-I532 HydrophobicContact CG-CG1 4.27Å; R527-G584 PolarHBondContact NH2-O 3.06Å; R527-S607 VanDerWaalsContact CD-OG 3.29Å; R527-S607 WeakPolarHBondContact CD-OG 3.46Å; R527-S607 VanDerWaalsContact NH1-C 3.3Å; R527-S607 PolarHBondContact NH1-O 3.12Å; R527-S607 PolarHBondContact NH1-OG 3.46Å; R527-S607 VanDerWaalsContact NH1-OG 3.07Å; R527-Q608 VanDerWaalsContact NH1-C 3.26Å; R527-Q608 PolarHBondContact NH1-O 2.75Å; R527-Q608 VanDerWaalsContact NH1-O 3.15Å
528E80.9Confident87.5Confident75 Ų7553.5 Ų53.535%0.3527%0.272SS..  trans-111.5-178.7169.6-64.1178.4-160.600110R530 R531 W578E528-R530 VanDerWaalsContact C-N 3.26Å; E528-R530 PolarHBondContact O-N 2.83Å; E528-R531 HydrophobicContact CB-CG 4.06Å; E528-R531 VanDerWaalsContact CD-NE 3.29Å; E528-R531 VanDerWaalsContact CD-NH2 3.3Å; E528-R531 PolarHBondContact N-O 2.8Å; E528-R531 IonicContact OE1-CZ 3.27Å; E528-R531 IonicContact OE1-NE 3.67Å; E528-R531 PolarHBondContact OE1-NE 3.18Å; E528-R531 IonicContact OE1-NH2 2.72Å; E528-R531 PolarHBondContact OE1-NH2 3.4Å; E528-R531 IonicContact OE2-CZ 2.7Å; E528-R531 IonicContact OE2-NE 3.65Å; E528-R531 PolarHBondContact OE2-NE 2.93Å; E528-R531 IonicContact OE2-NH2 3.67Å; E528-R531 PolarHBondContact OE2-NH2 3Å; E528-R531 VanDerWaalsContact OE2-NH2 3.09Å; E528-W578 HydrophobicContact CG-CH2 4.44Å; E528-W578 HydrophobicContact CG-CZ3 4.45Å; E528-W578 WeakPolarHBondContact OE1-CH2 3.08Å
529A71.4Confident87.4Confident78 Ų7852.6 Ų52.665%0.64527%0.265SS*.SBendtrans-58.4-32.1-174.900000114.5
530R79Confident87.3Confident170 Ų17054.5 Ų54.564%0.64228%0.275SS*.SBendtrans-1343.2-175.8-69.4-171.3172.4169.7-1.6115.5E528 C581 E583E528-R530 VanDerWaalsContact C-N 3.26Å; E528-R530 PolarHBondContact O-N 2.83Å; R530-C581 PolarHBondContact O-N 2.91Å; R530-E583 IonicContact CZ-OE1 3.54Å; R530-E583 VanDerWaalsContact CZ-OE1 3.28Å; R530-E583 IonicContact NE-OE1 2.67Å; R530-E583 PolarHBondContact NE-OE1 2.96Å; R530-E583 IonicContact NH2-OE1 3.2Å; R530-E583 PolarHBondContact NH2-OE1 2.9Å
531R86.6Confident87.1Confident95 Ų9557 Ų5736%0.35829%0.287SS..EExtended strand (participates in β ladder)trans-145.6150.1179.560.9175.6-173.7161.98.7112E528 W578 L579E528-R531 HydrophobicContact CB-CG 4.06Å; E528-R531 VanDerWaalsContact CD-NE 3.29Å; E528-R531 VanDerWaalsContact CD-NH2 3.3Å; E528-R531 PolarHBondContact N-O 2.8Å; E528-R531 IonicContact OE1-CZ 3.27Å; E528-R531 IonicContact OE1-NE 3.67Å; E528-R531 PolarHBondContact OE1-NE 3.18Å; E528-R531 IonicContact OE1-NH2 2.72Å; E528-R531 PolarHBondContact OE1-NH2 3.4Å; E528-R531 IonicContact OE2-CZ 2.7Å; E528-R531 IonicContact OE2-NE 3.65Å; E528-R531 PolarHBondContact OE2-NE 2.93Å; E528-R531 IonicContact OE2-NH2 3.67Å; E528-R531 PolarHBondContact OE2-NH2 3Å; E528-R531 VanDerWaalsContact OE2-NH2 3.09Å; R531-W578 HydrophobicContact CB-CE3 3.93Å; R531-W578 HydrophobicContact CB-CZ3 4.36Å; R531-W578 HydrophobicContact CG-CE3 3.65Å; R531-W578 HydrophobicContact CG-CZ3 3.69Å; R531-L579 CarbonylContact C-O 3.58Å; R531-L579 VanDerWaalsContact CA-O 3.28Å; R531-L579 WeakPolarHBondContact CA-O 3.4Å
532I88.6Confident86.9Confident0 Ų057.8 Ų57.80%029%0.288CS..EExtended strand (participates in β ladder)trans-127.8137.1177.7-160165.5000110.3V524 T526 R527 V534 W578 L579 C581 L588 S607V524-I532 HydrophobicContact CG1-CD1 3.76Å; V524-I532 HydrophobicContact CG1-CG1 3.88Å; V524-I532 HydrophobicContact CG2-CD1 4.03Å; T526-I532 WeakPolarHBondContact O-CG1 3.33Å; R527-I532 HydrophobicContact CB-CD1 4.23Å; R527-I532 HydrophobicContact CB-CG1 4.02Å; R527-I532 HydrophobicContact CG-CD1 4.3Å; R527-I532 HydrophobicContact CG-CG1 4.27Å; I532-V534 HydrophobicContact CG2-CG1 4.29Å; I532-W578 CarbonylContact O-C 3.59Å; I532-W578 WeakPolarHBondContact O-CA 3.31Å; I532-L579 HydrophobicContact CG2-CB 3.91Å; I532-L579 HydrophobicContact CG2-CD1 4.42Å; I532-L579 PolarHBondContact N-O 2.94Å; I532-L579 PolarHBondContact O-N 3.04Å; I532-C581 WeakPolarHBondContact CG2-SG 3.36Å; I532-L588 HydrophobicContact CD1-CD1 4.14Å; I532-S607 WeakPolarHBondContact CD1-OG 3.38Å
533L90Very high86.9Confident21 Ų2160.2 Ų60.211%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-96.6119.4175.1-178.560.1000108.6L525 T526 Q576 M577 W578L525-L533 HydrophobicContact CB-CB 4.37Å; L525-L533 HydrophobicContact CB-CD2 4.07Å; L525-L533 HydrophobicContact CB-CG 4.02Å; L525-L533 HydrophobicContact CD1-CD2 4.09Å; L525-L533 HydrophobicContact CD1-CG 4.08Å; L525-L533 PolarHBondContact N-O 2.95Å; T526-L533 PolarHBondContact N-O 3.1Å; T526-L533 PolarHBondContact O-N 2.7Å; L533-Q576 HydrophobicContact CD1-CG 3.82Å; L533-M577 WeakPolarHBondContact CD1-O 3.42Å; L533-W578 HydrophobicContact CB-CD2 3.98Å; L533-W578 HydrophobicContact CB-CE3 3.81Å; L533-W578 HydrophobicContact CB-CH2 3.9Å; L533-W578 HydrophobicContact CB-CZ2 4.03Å; L533-W578 HydrophobicContact CB-CZ3 3.77Å; L533-W578 HydrophobicContact CD1-CD2 4.1Å; L533-W578 HydrophobicContact CD1-CG 4.19Å; L533-W578 HydrophobicContact CD2-CZ2 4.08Å; L533-W578 HydrophobicContact CG-CZ2 4.45Å
534V91.8Very high87Confident0 Ų058.1 Ų58.10%029%0.29CS..EExtended strand (participates in β ladder)trans-120.6148.2178.2-66.20000111.1L522 H523 V524 I532 W536 I553 Q576 M577 L579 L588L522-V534 HydrophobicContact CD1-CB 3.99Å; L522-V534 HydrophobicContact CD1-CG1 4.44Å; L522-V534 HydrophobicContact CD1-CG2 4.38Å; H523-V534 WeakPolarHBondContact O-CA 3.26Å; V524-V534 HydrophobicContact CG2-CG1 4.22Å; I532-V534 HydrophobicContact CG2-CG1 4.29Å; V534-W536 HydrophobicContact CG2-CZ3 4.33Å; V534-I553 HydrophobicContact CG2-CD1 4.1Å; V534-Q576 CarbonylContact O-C 3.58Å; V534-Q576 WeakPolarHBondContact O-CA 3.45Å; V534-Q576 WeakPolarHBondContact O-CG 3.41Å; V534-M577 HydrophobicContact CG2-CG 4.33Å; V534-M577 PolarHBondContact N-O 2.89Å; V534-M577 PolarHBondContact O-N 2.89Å; V534-L579 HydrophobicContact CG1-CD1 4.38Å; V534-L579 HydrophobicContact CG2-CD1 3.6Å; V534-L579 HydrophobicContact CG2-CG 4.27Å; V534-L588 HydrophobicContact CG1-CD1 4.15Å
535R93.3Very high87.1Confident81 Ų8158.4 Ų58.431%0.30629%0.285SS..EExtended strand (participates in β ladder)trans-128.8158.7166.670.6171.4-173.282.88.2110.3H523 L525 D537 R575 Q576H523-R535 HydrophobicContact CB-CG 3.88Å; H523-R535 VanDerWaalsContact CD2-CZ 3.48Å; H523-R535 PolarHBondContact CD2-NH1 3.43Å; H523-R535 PolarHBondContact CD2-NH2 3.09Å; H523-R535 PolarHBondContact CE1-NH2 3.17Å; H523-R535 PolarHBondContact N-O 2.63Å; H523-R535 PolarHBondContact ND1-NH2 3.22Å; H523-R535 PolarHBondContact O-N 2.89Å; L525-R535 HydrophobicContact CD1-CB 4.12Å; L525-R535 HydrophobicContact CD1-CG 4.05Å; L525-R535 HydrophobicContact CD2-CG 4.08Å; L525-R535 HydrophobicContact CG-CB 4.48Å; L525-R535 HydrophobicContact CG-CG 4.01Å; R535-D537 IonicContact CZ-OD1 3.94Å; R535-D537 IonicContact NH1-OD1 2.86Å; R535-D537 PolarHBondContact NH1-OD1 2.82Å; R535-R575 CarbonylContact C-O 3.58Å; R535-R575 VanDerWaalsContact CA-O 3.24Å; R535-R575 WeakPolarHBondContact CA-O 3.27Å; R535-Q576 HydrophobicContact CB-CB 4.05Å; R535-Q576 HydrophobicContact CB-CG 4.25Å
536W92.3Very high87.3Confident6 Ų654.9 Ų54.92%0.02327%0.267CS..EExtended strand (participates in β ladder)trans-141.3150.6171.758.298.6000112.3V521 L522 V534 Y551 I553 V569 R575 M577 L590V521-W536 VanDerWaalsContact O-CA 3.23Å; V521-W536 WeakPolarHBondContact O-CA 3.22Å; V521-W536 WeakPolarHBondContact O-CB 3.49Å; L522-W536 HydrophobicContact CD1-CB 4.36Å; L522-W536 HydrophobicContact CD1-CE3 4.31Å; V534-W536 HydrophobicContact CG2-CZ3 4.33Å; W536-Y551 HydrophobicContact CZ2-CD2 4.16Å; W536-Y551 HydrophobicContact CZ2-CG 4.47Å; W536-Y551 AromaticContact NE1-CD1 3.71Å; W536-Y551 AromaticContact NE1-CD2 3.37Å; W536-Y551 AromaticContact NE1-CE1 3.83Å; W536-Y551 AromaticContact NE1-CE2 3.51Å; W536-Y551 AromaticContact NE1-CG 3.48Å; W536-Y551 AromaticContact NE1-CZ 3.75Å; W536-I553 HydrophobicContact CE3-CD1 4.34Å; W536-I553 HydrophobicContact CH2-CD1 4.44Å; W536-I553 HydrophobicContact CZ3-CD1 3.97Å; W536-V569 HydrophobicContact CH2-CG1 4.16Å; W536-V569 HydrophobicContact CH2-CG2 4.06Å; W536-V569 HydrophobicContact CZ2-CB 4.29Å; W536-V569 HydrophobicContact CZ2-CG1 4.1Å; W536-V569 HydrophobicContact CZ2-CG2 4.12Å; W536-R575 HydrophobicContact CD2-CB 4.37Å; W536-R575 HydrophobicContact CZ2-CB 4.39Å; W536-R575 PolarHBondContact N-O 2.73Å; W536-R575 WeakPolarHBondContact O-CB 3.25Å; W536-M577 HydrophobicContact CH2-CE 3.64Å; W536-M577 HydrophobicContact CZ3-CE 3.97Å; W536-L590 HydrophobicContact CB-CD2 3.41Å; W536-L590 VanDerWaalsContact CB-CD2 3.41Å; W536-L590 HydrophobicContact CD2-CD2 4.32Å; W536-L590 HydrophobicContact CG-CD2 3.6Å
537D90Very high87.7Confident66 Ų6655.4 Ų55.435%0.35326%0.263SS..PPolyproline II helixtrans-83.9155.9179.7-51.9-40.4000110.4P520 V521 H523 R535P520-D537 WeakPolarHBondContact CB-O 3.47Å; V521-D537 PolarHBondContact O-N 2.89Å; H523-D537 IonicContact CD2-OD1 3.86Å; H523-D537 IonicContact CD2-OD2 3.39Å; H523-D537 IonicContact CE1-OD2 2.62Å; H523-D537 IonicContact NE2-OD1 3.57Å; H523-D537 IonicContact NE2-OD2 3.14Å; H523-D537 PolarHBondContact NE2-OD2 2.84Å; R535-D537 IonicContact CZ-OD1 3.94Å; R535-D537 IonicContact NH1-OD1 2.86Å; R535-D537 PolarHBondContact NH1-OD1 2.82Å
538E88Confident88.4Confident99 Ų9954.6 Ų54.646%0.46326%0.262SS..PPolyproline II helixtrans-76.5141.1174.8-168.3173.8159.100110.6Q544 R575E538-Q544 PolarHBondContact OE1-NE2 3.31Å; E538-R575 IonicContact OE2-CZ 3.46Å; E538-R575 IonicContact OE2-NH1 2.75Å; E538-R575 PolarHBondContact OE2-NH1 3.11Å; E538-R575 IonicContact OE2-NH2 3.33Å; E538-R575 PolarHBondContact OE2-NH2 2.82Å
539L90.3Very high89Confident8 Ų854.3 Ų54.34%0.04227%0.268CS..PPolyproline II helixtrans-66.2137.6176.6-80.1175.9000111.5P516 S518 P520 Q544 A592P516-L539 HydrophobicContact CB-CD1 4.01Å; S518-L539 VanDerWaalsContact OG-CD2 3.25Å; S518-L539 WeakPolarHBondContact OG-CD2 3.06Å; P520-L539 HydrophobicContact CB-CD2 4.38Å; P520-L539 HydrophobicContact CB-CG 4.19Å; P520-L539 HydrophobicContact CG-CD1 4.2Å; P520-L539 HydrophobicContact CG-CD2 4.47Å; P520-L539 HydrophobicContact CG-CG 4.02Å; L539-Q544 HydrophobicContact CB-CG 3.76Å; L539-Q544 WeakPolarHBondContact O-CG 3.36Å; L539-Q544 PolarHBondContact O-NE2 3.18Å; L539-A592 HydrophobicContact CD1-CB 3.71Å
540P89.8Confident90Very high62 Ų6254.5 Ų54.540%0.40325%0.254SS..PPolyproline II helixtrans-53.6142.5167.8-2635.7000111.6D542 Q543 Q544P540-D542 VanDerWaalsContact C-N 3.3Å; P540-D542 WeakPolarHBondContact CB-OD1 3.08Å; P540-D542 PolarHBondContact O-N 3.49Å; P540-Q543 HydrophobicContact CB-CG 4.14Å; P540-Q543 HydrophobicContact CG-CG 4.5Å; P540-Q543 CarbonylContact O-C 3.57Å; P540-Q543 WeakPolarHBondContact O-CA 3.37Å; P540-Q543 WeakPolarHBondContact O-CB 3.44Å; P540-Q543 PolarHBondContact O-N 3.42Å; P540-Q544 PolarHBondContact O-N 3.09Å
541Q87Confident90.7Very high58 Ų5846.5 Ų46.527%0.27122%0.224SC..Hα-helixtrans-62.5-35.4-167.2-165.1-161.4-101.100113.4M461 R488 Q543 Q544M461-Q541 PolarHBondContact O-NE2 3.35Å; R488-Q541 VanDerWaalsContact CD-CD 3.4Å; Q541-Q543 PolarHBondContact O-N 2.88Å; Q541-Q544 PolarHBondContact O-N 3.21Å
542D86.5Confident90.9Very high97 Ų9742.2 Ų42.252%0.51921%0.208SC..Hα-helixtrans-59.8-28.4171.156.7-62.3000113P540 R545P540-D542 VanDerWaalsContact C-N 3.3Å; P540-D542 WeakPolarHBondContact CB-OD1 3.08Å; P540-D542 PolarHBondContact O-N 3.49Å; D542-R545 WeakPolarHBondContact O-CG 3.4Å
543Q91Very high91Very high61 Ų6142.2 Ų42.229%0.28521%0.208SC..Hα-helixtrans-93.5-25.1-180-51.4-177.113.800112.6P516 L517 S518 P540 Q541P516-Q543 CarbonylContact C-O 3.56Å; P516-Q543 VanDerWaalsContact CA-O 3.31Å; P516-Q543 WeakPolarHBondContact CA-O 3.4Å; L517-Q543 PolarHBondContact N-O 3.5Å; S518-Q543 WeakPolarHBondContact OG-CB 3.36Å; S518-Q543 PolarHBondContact OG-OE1 3.26Å; P540-Q543 HydrophobicContact CB-CG 4.14Å; P540-Q543 HydrophobicContact CG-CG 4.5Å; P540-Q543 CarbonylContact O-C 3.57Å; P540-Q543 WeakPolarHBondContact O-CA 3.37Å; P540-Q543 WeakPolarHBondContact O-CB 3.44Å; P540-Q543 PolarHBondContact O-N 3.42Å; Q541-Q543 PolarHBondContact O-N 2.88Å
544Q91.8Very high91Very high10 Ų1042.1 Ų42.15%0.04721%0.207CC..Hα-helixtrans-61.3-44.2175.7-67.6-175.110.900112.3E538 L539 P540 Q541 G546 I548 N594E538-Q544 PolarHBondContact OE1-NE2 3.31Å; L539-Q544 HydrophobicContact CB-CG 3.76Å; L539-Q544 WeakPolarHBondContact O-CG 3.36Å; L539-Q544 PolarHBondContact O-NE2 3.18Å; P540-Q544 PolarHBondContact O-N 3.09Å; Q541-Q544 PolarHBondContact O-N 3.21Å; Q544-G546 PolarHBondContact O-N 3.18Å; Q544-I548 HydrophobicContact CB-CD1 3.96Å; Q544-I548 HydrophobicContact CB-CG1 4.27Å; Q544-I548 HydrophobicContact CG-CD1 4.09Å; Q544-I548 HydrophobicContact CG-CG1 3.96Å; Q544-N594 PolarHBondContact O-ND2 3.05Å
545R91.3Very high90.8Very high57 Ų5742.3 Ų42.322%0.21521%0.208CC..  trans48.720.3-179-56.7-160.674.6-150.51.2116.3A485 G486 E513 Q514 L517 D542A485-R545 PolarHBondContact O-NH2 2.68Å; G486-R545 WeakPolarHBondContact CA-O 3.37Å; G486-R545 WeakPolarHBondContact O-CA 3.08Å; G486-R545 PolarHBondContact O-NE 3.36Å; E513-R545 WeakPolarHBondContact CA-O 3.41Å; Q514-R545 HydrophobicContact CB-CB 4.48Å; Q514-R545 PolarHBondContact N-O 2.82Å; Q514-R545 CarbonylContact O-C 3.57Å; Q514-R545 WeakPolarHBondContact O-CB 3.28Å; Q514-R545 VanDerWaalsContact O-O 3.12Å; Q514-R545 VanDerWaalsContact OE1-NH1 3.15Å; L517-R545 HydrophobicContact CD1-CG 4.47Å; L517-R545 VanDerWaalsContact CG-CD 3.48Å; L517-R545 HydrophobicContact CG-CG 4.2Å; D542-R545 WeakPolarHBondContact O-CG 3.4Å
546G92.1Very high90.4Very high0 Ų041.3 Ų41.30%021%0.207CC..SBendtrans179.5-171.5-179.800000110.5Y510 E513 Q544Y510-G546 VanDerWaalsContact CE2-CA 3.4Å; Y510-G546 VanDerWaalsContact CE2-O 3.26Å; Y510-G546 WeakPolarHBondContact CE2-O 3.34Å; Y510-G546 VanDerWaalsContact CZ-C 3.49Å; Y510-G546 VanDerWaalsContact CZ-CA 3.47Å; Y510-G546 VanDerWaalsContact CZ-N 3.32Å; Y510-G546 VanDerWaalsContact CZ-O 3.28Å; Y510-G546 PolarHBondContact OH-N 2.86Å; Y510-G546 PolarHBondContact OH-O 2.71Å; E513-G546 WeakPolarHBondContact OE2-CA 3.38Å; Q544-G546 PolarHBondContact O-N 3.18Å
547F92.1Very high89.8Confident79 Ų7942 Ų4235%0.34621%0.212SC..  trans-92.6115172-65.8-67.6000108.9P508 Y510 E513 S549 N594P508-F547 HydrophobicContact CB-CE1 4.48Å; P508-F547 HydrophobicContact CB-CZ 4.35Å; P508-F547 HydrophobicContact CG-CE1 4.48Å; P508-F547 HydrophobicContact CG-CZ 4.48Å; P508-F547 WeakPolarHBondContact O-CZ 3.09Å; Y510-F547 HydrophobicContact CD2-CD1 4.48Å; Y510-F547 AromaticContact CD2-CD2 3.78Å; Y510-F547 HydrophobicContact CD2-CD2 3.78Å; Y510-F547 HydrophobicContact CD2-CE1 4.31Å; Y510-F547 AromaticContact CD2-CE2 3.59Å; Y510-F547 HydrophobicContact CD2-CE2 3.59Å; Y510-F547 HydrophobicContact CD2-CG 4.23Å; Y510-F547 AromaticContact CD2-CZ 3.86Å; Y510-F547 HydrophobicContact CD2-CZ 3.86Å; Y510-F547 AromaticContact CE2-CD1 3.96Å; Y510-F547 HydrophobicContact CE2-CD1 3.96Å; Y510-F547 HydrophobicContact CE2-CD2 4.05Å; Y510-F547 AromaticContact CE2-CE1 3.92Å; Y510-F547 HydrophobicContact CE2-CE1 3.92Å; Y510-F547 HydrophobicContact CE2-CE2 4.02Å; Y510-F547 HydrophobicContact CE2-CG 4.02Å; Y510-F547 AromaticContact CE2-CZ 3.95Å; Y510-F547 HydrophobicContact CE2-CZ 3.95Å; E513-F547 PolarHBondContact OE2-N 3.18Å; F547-S549 PolarHBondContact O-N 3.12Å; F547-N594 WeakPolarHBondContact O-CA 3.49Å; F547-N594 WeakPolarHBondContact O-CB 3.43Å
548I93.2Very high89.1Confident24 Ų2443.5 Ų43.512%0.12322%0.219CC..  trans-64.3110.2-178.9-52.7-52.6000109.3P516 Q544 Y551 A592 S593 N594P516-I548 HydrophobicContact CG-CD1 3.94Å; Q544-I548 HydrophobicContact CB-CD1 3.96Å; Q544-I548 HydrophobicContact CB-CG1 4.27Å; Q544-I548 HydrophobicContact CG-CD1 4.09Å; Q544-I548 HydrophobicContact CG-CG1 3.96Å; I548-Y551 HydrophobicContact CG2-CD1 4.42Å; I548-Y551 HydrophobicContact CG2-CE1 3.85Å; I548-Y551 HydrophobicContact CG2-CE2 4.13Å; I548-A592 HydrophobicContact CD1-CB 4.22Å; I548-A592 HydrophobicContact CG2-CB 4.15Å; I548-S593 CarbonylContact C-O 3.41Å; I548-S593 WeakPolarHBondContact CA-O 3.32Å; I548-N594 HydrophobicContact CD1-CB 4.46Å
549S92.7Very high88Confident68 Ų6842.9 Ų42.948%0.47622%0.219SC..  trans-91.1-35.4-174.160.60000111.8F547 G571 S593F547-S549 PolarHBondContact O-N 3.12Å; S549-G571 PolarHBondContact O-N 3.16Å; S549-S593 PolarHBondContact N-O 2.03Å; S549-S593 PolarHBondContact OG-O 3.26Å
550K92.9Very high86.3Confident83 Ų8348.5 Ų48.536%0.36126%0.259SS..EExtended strand (participates in β ladder)trans-151.9160.2175.863.8170.5-175.9160.60112.9V569 S593K550-V569 CarbonylContact C-O 3.47Å; K550-V569 WeakPolarHBondContact CA-O 3.42Å; K550-V569 VanDerWaalsContact CB-O 3.22Å; K550-V569 WeakPolarHBondContact CB-O 3.45Å; K550-S593 WeakPolarHBondContact CE-OG 3.36Å; K550-S593 PolarHBondContact N-O 3.04Å; K550-S593 PolarHBondContact O-N 3.28Å
551Y92.8Very high84.8Confident2 Ų250 Ų501%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-110.2145164.3-63.1-76.6000109.4P520 W536 I548 T568 V569 L590 T591 A592P520-Y551 HydrophobicContact CB-CE1 4.45Å; P520-Y551 HydrophobicContact CG-CD1 3.88Å; P520-Y551 HydrophobicContact CG-CE1 3.66Å; W536-Y551 HydrophobicContact CZ2-CD2 4.16Å; W536-Y551 HydrophobicContact CZ2-CG 4.47Å; W536-Y551 AromaticContact NE1-CD1 3.71Å; W536-Y551 AromaticContact NE1-CD2 3.37Å; W536-Y551 AromaticContact NE1-CE1 3.83Å; W536-Y551 AromaticContact NE1-CE2 3.51Å; W536-Y551 AromaticContact NE1-CG 3.48Å; W536-Y551 AromaticContact NE1-CZ 3.75Å; I548-Y551 HydrophobicContact CG2-CD1 4.42Å; I548-Y551 HydrophobicContact CG2-CE1 3.85Å; I548-Y551 HydrophobicContact CG2-CE2 4.13Å; Y551-T568 CarbonylContact O-C 3.57Å; Y551-T568 WeakPolarHBondContact O-CA 3.24Å; Y551-V569 PolarHBondContact N-O 2.83Å; Y551-V569 PolarHBondContact O-N 3.09Å; Y551-L590 HydrophobicContact CD1-CD1 4.3Å; Y551-T591 WeakPolarHBondContact CA-O 3.45Å; Y551-A592 HydrophobicContact CD1-CB 4.02Å; Y551-A592 HydrophobicContact CE1-CB 3.94Å
552T92.3Very high83.5Confident4 Ų451.9 Ų51.93%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-120123.7171-42.50000109Y554 N566 T568 L590 T591 E598T552-Y554 HydrophobicContact CG2-CD1 4.35Å; T552-Y554 HydrophobicContact CG2-CE1 3.85Å; T552-Y554 HydrophobicContact CG2-CE2 4.24Å; T552-N566 HydrophobicContact CG2-CB 4.07Å; T552-T568 HydrophobicContact CG2-CG2 3.94Å; T552-L590 WeakPolarHBondContact O-CA 3.37Å; T552-T591 VanDerWaalsContact CB-OG1 3.28Å; T552-T591 WeakPolarHBondContact CB-OG1 3.49Å; T552-T591 PolarHBondContact N-O 3.01Å; T552-T591 VanDerWaalsContact N-O 3.08Å; T552-T591 PolarHBondContact O-N 3.32Å; T552-T591 PolarHBondContact O-OG1 2.82Å; T552-E598 VanDerWaalsContact CB-OE1 3.25Å; T552-E598 WeakPolarHBondContact CB-OE1 3.31Å; T552-E598 PolarHBondContact OG1-OE1 2.99Å
553I91.1Very high82.6Confident0 Ų052 Ų520%029%0.291CS..EExtended strand (participates in β ladder)trans-100.3126.6171.6-58.2175.3000107.7V534 W536 L555 N566 V567 M577 L579 Q589 L590V534-I553 HydrophobicContact CG2-CD1 4.1Å; W536-I553 HydrophobicContact CE3-CD1 4.34Å; W536-I553 HydrophobicContact CH2-CD1 4.44Å; W536-I553 HydrophobicContact CZ3-CD1 3.97Å; I553-L555 HydrophobicContact CG2-CD1 4.13Å; I553-L555 HydrophobicContact CG2-CG 4.46Å; I553-N566 CarbonylContact O-C 3.58Å; I553-N566 WeakPolarHBondContact O-CA 3.17Å; I553-V567 PolarHBondContact N-O 2.84Å; I553-V567 PolarHBondContact O-N 2.81Å; I553-M577 HydrophobicContact CD1-CE 3.58Å; I553-L579 HydrophobicContact CD1-CD1 3.98Å; I553-L579 HydrophobicContact CG2-CD1 3.92Å; I553-Q589 CarbonylContact C-O 3.57Å; I553-Q589 WeakPolarHBondContact CA-O 3.41Å; I553-L590 HydrophobicContact CG1-CD1 3.86Å
554Y89.3Confident82Confident19 Ų1952.8 Ų52.88%0.07530%0.295CS..EExtended strand (participates in β ladder)trans-104.2130173.1-48.2-91.2000108.9T552 E564 L565 N566 L588 Q589 T591 E598 R601T552-Y554 HydrophobicContact CG2-CD1 4.35Å; T552-Y554 HydrophobicContact CG2-CE1 3.85Å; T552-Y554 HydrophobicContact CG2-CE2 4.24Å; Y554-E564 HydrophobicContact CD1-CG 4.22Å; Y554-L565 WeakPolarHBondContact CA-O 2.95Å; Y554-N566 HydrophobicContact CD1-CB 4.09Å; Y554-N566 HydrophobicContact CE1-CB 4.42Å; Y554-L588 WeakPolarHBondContact O-CA 3.41Å; Y554-Q589 HydrophobicContact CD2-CB 4.19Å; Y554-Q589 PolarHBondContact N-O 3Å; Y554-Q589 PolarHBondContact O-N 3.2Å; Y554-T591 HydrophobicContact CE2-CG2 3.73Å; Y554-E598 PolarHBondContact OH-OE1 2.87Å; Y554-E598 PolarHBondContact OH-OE2 2.86Å; Y554-R601 VanDerWaalsContact CD1-NH2 3.28Å; Y554-R601 HydrophobicContact CD2-CG 4.47Å; Y554-R601 HydrophobicContact CE2-CG 3.99Å
555L86.9Confident81.7Confident5 Ų556.8 Ų56.83%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-115.7124.1175.7-54.789.6000107.9I553 E564 L565 V567 L579 L588I553-L555 HydrophobicContact CG2-CD1 4.13Å; I553-L555 HydrophobicContact CG2-CG 4.46Å; L555-E564 WeakPolarHBondContact O-CA 3.37Å; L555-L565 HydrophobicContact CB-CB 4.45Å; L555-L565 PolarHBondContact N-O 2.94Å; L555-L565 PolarHBondContact O-N 2.87Å; L555-V567 HydrophobicContact CD1-CG2 4.05Å; L555-L579 HydrophobicContact CD2-CB 4.31Å; L555-L579 HydrophobicContact CD2-CD1 4.3Å; L555-L588 HydrophobicContact CB-CD2 4.22Å; L555-L588 HydrophobicContact CD2-CD2 3.9Å; L555-L588 HydrophobicContact CG-CD2 3.67Å
556Q84.6Confident81.6Confident60 Ų6059 Ų5928%0.2833%0.332SS..EExtended strand (participates in β ladder)trans-129.8129.8178.7169.5179.671.200110.2L586 S587Q556-L586 WeakPolarHBondContact O-CA 3.4Å; Q556-S587 WeakPolarHBondContact CB-OG 3.31Å; Q556-S587 PolarHBondContact N-O 2.96Å; Q556-S587 PolarHBondContact O-N 2.01Å; Q556-S587 PolarHBondContact O-OG 2.81Å; Q556-S587 PolarHBondContact OE1-OG 3.5Å
557T80.4Confident81.4Confident21 Ų2161.1 Ų61.113%0.12935%0.345CS..EExtended strand (participates in β ladder)trans-78132.4170.238.30000110.2D559 T561 P582 L586T557-D559 VanDerWaalsContact C-N 3.27Å; T557-T561 PolarHBondContact OG1-O 2.04Å; T557-P582 HydrophobicContact CG2-CB 4.32Å; T557-P582 HydrophobicContact CG2-CG 3.66Å; T557-L586 HydrophobicContact CG2-CD2 3.73Å
558L74.9Confident81.3Confident96 Ų9661.6 Ų61.650%0.50335%0.354SS..  trans-78.6-15.4173.2-77.878.5000112.4S560 T585 L606L558-S560 PolarHBondContact O-N 2.85Å; L558-S560 VanDerWaalsContact O-N 3.13Å; L558-T585 HydrophobicContact CD1-CG2 4.37Å; L558-T585 PolarHBondContact N-O 3.48Å; L558-T585 VanDerWaalsContact N-O 3.1Å; L558-L606 HydrophobicContact CD1-CD1 3.84Å; L558-L606 HydrophobicContact CD2-CD1 4.04Å
559D65.9Low81.2Confident86 Ų8661.8 Ų61.846%0.4636%0.356SS..SBendtrans-89.880-165.2-59.7-56.3000112.7T557 T561 G584 T585T557-D559 VanDerWaalsContact C-N 3.27Å; D559-T561 VanDerWaalsContact C-N 3.34Å; D559-T561 PolarHBondContact O-N 2.91Å; D559-G584 WeakPolarHBondContact OD2-CA 3.42Å; D559-T585 PolarHBondContact OD2-N 2.88Å
560S53.1Low81.1Confident126 Ų12662.1 Ų62.188%0.88136%0.359SS*.SBendtrans69.3-18164.4730000120.5L558L558-S560 PolarHBondContact O-N 2.85Å; L558-S560 VanDerWaalsContact O-N 3.13Å
561T58.8Low80.7Confident93 Ų9358.6 Ų58.657%0.57135%0.346SS*.  trans-125.6118.5163.747.80000111T557 D559 T563T557-T561 PolarHBondContact OG1-O 2.04Å; D559-T561 VanDerWaalsContact C-N 3.34Å; D559-T561 PolarHBondContact O-N 2.91Å; T561-T563 PolarHBondContact O-N 3.36Å
562S61Low80.2Confident99 Ų9964.3 Ų64.369%0.69239%0.387SS*.  trans-8449.9-172.760.80000113.1E564S562-E564 PolarHBondContact O-N 3.34Å
563T67.1Low79.5Confident98 Ų9865.5 Ų65.560%0.60140%0.4SS*.  trans-72.3107.9172.242.80000110.2T561T561-T563 PolarHBondContact O-N 3.36Å
564E78.6Confident79.1Confident79 Ų7972.9 Ų72.937%0.36943%0.434SS..EExtended strand (participates in β ladder)trans-84.6115.4171-178.5172.2-106.800109.6Y554 L555 S562 R601Y554-E564 HydrophobicContact CD1-CG 4.22Å; L555-E564 WeakPolarHBondContact O-CA 3.37Å; S562-E564 PolarHBondContact O-N 3.34Å; E564-R601 VanDerWaalsContact CD-NH2 3.32Å; E564-R601 IonicContact OE1-CZ 3.88Å; E564-R601 VanDerWaalsContact OE1-CZ 3.32Å; E564-R601 IonicContact OE1-NH1 3.18Å; E564-R601 PolarHBondContact OE1-NH1 3.48Å; E564-R601 IonicContact OE1-NH2 3.75Å; E564-R601 PolarHBondContact OE1-NH2 3.06Å; E564-R601 IonicContact OE2-CZ 2.74Å; E564-R601 IonicContact OE2-NH1 2.76Å; E564-R601 IonicContact OE2-NH2 3.82Å; E564-R601 PolarHBondContact OE2-NH2 2.89Å
565L84Confident79.1Confident94 Ų9476.6 Ų76.649%0.49245%0.448SS..EExtended strand (participates in β ladder)trans-93132.8171.8178.465.6000109.2Y554 L555Y554-L565 WeakPolarHBondContact CA-O 2.95Å; L555-L565 HydrophobicContact CB-CB 4.45Å; L555-L565 PolarHBondContact N-O 2.94Å; L555-L565 PolarHBondContact O-N 2.87Å
566N89Confident79.3Confident103 Ų10380 Ų8055%0.55146%0.464SS*.EExtended strand (participates in β ladder)trans-113.7131.7176.757.4-10.5000112.1T552 I553 Y554T552-N566 HydrophobicContact CG2-CB 4.07Å; I553-N566 CarbonylContact O-C 3.58Å; I553-N566 WeakPolarHBondContact O-CA 3.17Å; Y554-N566 HydrophobicContact CD1-CB 4.09Å; Y554-N566 HydrophobicContact CE1-CB 4.42Å
567V88.7Confident79.5Confident45 Ų4579.1 Ų79.127%0.27346%0.46SS..EExtended strand (participates in β ladder)trans-118.5126.6174.1179.80000108.7I553 L555 M577 L579I553-V567 PolarHBondContact N-O 2.84Å; I553-V567 PolarHBondContact O-N 2.81Å; L555-V567 HydrophobicContact CD1-CG2 4.05Å; V567-M577 HydrophobicContact CG1-CE 4.46Å; V567-M577 HydrophobicContact CG1-SD 4.16Å; V567-L579 HydrophobicContact CB-CD2 3.83Å; V567-L579 HydrophobicContact CG1-CD2 3.78Å; V567-L579 HydrophobicContact CG2-CD2 3.76Å
568T90.2Very high79.8Confident89 Ų8983.1 Ų83.155%0.54647%0.473SS..EExtended strand (participates in β ladder)trans-105.3144.3-179.149.90000111.8Y551 T552Y551-T568 CarbonylContact O-C 3.57Å; Y551-T568 WeakPolarHBondContact O-CA 3.24Å; T552-T568 HydrophobicContact CG2-CG2 3.94Å
569V90.6Very high80.4Confident27 Ų2778.8 Ų78.816%0.16445%0.45CS..EExtended strand (participates in β ladder)trans-131.6139.9-174.8-151.20000109.1W536 K550 Y551 M577W536-V569 HydrophobicContact CH2-CG1 4.16Å; W536-V569 HydrophobicContact CH2-CG2 4.06Å; W536-V569 HydrophobicContact CZ2-CB 4.29Å; W536-V569 HydrophobicContact CZ2-CG1 4.1Å; W536-V569 HydrophobicContact CZ2-CG2 4.12Å; K550-V569 CarbonylContact C-O 3.47Å; K550-V569 WeakPolarHBondContact CA-O 3.42Å; K550-V569 VanDerWaalsContact CB-O 3.22Å; K550-V569 WeakPolarHBondContact CB-O 3.45Å; Y551-V569 PolarHBondContact N-O 2.83Å; Y551-V569 PolarHBondContact O-N 3.09Å; V569-M577 HydrophobicContact CB-CE 4.34Å; V569-M577 HydrophobicContact CG1-CE 4.16Å; V569-M577 HydrophobicContact CG2-CE 3.24Å
570S90.5Very high81.2Confident75 Ų7581 Ų8152%0.52446%0.462SS..EExtended strand (participates in β ladder)trans-61.2137.6170.7-580000111S572 G573S570-S572 PolarHBondContact O-N 3.24Å; S570-G573 PolarHBondContact O-N 2.87Å
571G84.3Confident82.2Confident10 Ų1075.6 Ų75.610%0.10342%0.424CS..THydrogen-bonded Turntrans-63.3-28.6-178.700000114S549S549-G571 PolarHBondContact O-N 3.16Å
572S83.8Confident82.8Confident122 Ų12274.2 Ų74.285%0.85342%0.417SS*.THydrogen-bonded Turntrans-860.6172.1530000114.5S570S570-S572 PolarHBondContact O-N 3.24Å
573G77.9Confident83.3Confident29 Ų2976 Ų7630%0.29941%0.414SS..SBendtrans-79.3173.9-178.100000113.9S570 R575S570-G573 PolarHBondContact O-N 2.87Å; G573-R575 PolarHBondContact O-N 3.11Å
574Q81.8Confident83.7Confident154 Ų15472.1 Ų72.172%0.7239%0.394SS*.  trans-62.3124.3174.5-174173.3200110.5Q576Q574-Q576 PolarHBondContact O-N 3.46Å
575R88.8Confident83.6Confident97 Ų9770 Ų7037%0.36639%0.386SS..SBendtrans-78.730.4-177.4-63.2-176.7-83.1-113.621114.3R535 W536 E538 G573R535-R575 CarbonylContact C-O 3.58Å; R535-R575 VanDerWaalsContact CA-O 3.24Å; R535-R575 WeakPolarHBondContact CA-O 3.27Å; W536-R575 HydrophobicContact CD2-CB 4.37Å; W536-R575 HydrophobicContact CZ2-CB 4.39Å; W536-R575 PolarHBondContact N-O 2.73Å; W536-R575 WeakPolarHBondContact O-CB 3.25Å; E538-R575 IonicContact OE2-CZ 3.46Å; E538-R575 IonicContact OE2-NH1 2.75Å; E538-R575 PolarHBondContact OE2-NH1 3.11Å; E538-R575 IonicContact OE2-NH2 3.33Å; E538-R575 PolarHBondContact OE2-NH2 2.82Å; G573-R575 PolarHBondContact O-N 3.11Å
576Q90.7Very high83.5Confident77 Ų7765.5 Ų65.536%0.3636%0.363SS..EExtended strand (participates in β ladder)trans-152.9131.8179175.6174.9-38.800109L525 L533 V534 R535 Q574L525-Q576 HydrophobicContact CD1-CG 4.4Å; L533-Q576 HydrophobicContact CD1-CG 3.82Å; V534-Q576 CarbonylContact O-C 3.58Å; V534-Q576 WeakPolarHBondContact O-CA 3.45Å; V534-Q576 WeakPolarHBondContact O-CG 3.41Å; R535-Q576 HydrophobicContact CB-CB 4.05Å; R535-Q576 HydrophobicContact CB-CG 4.25Å; Q574-Q576 PolarHBondContact O-N 3.46Å
577M88.8Confident83.4Confident42 Ų4260.9 Ų60.921%0.20734%0.339CS..EExtended strand (participates in β ladder)trans-149.6162176.188177.389.800112.7L533 V534 W536 I553 V567 V569 L579L533-M577 WeakPolarHBondContact CD1-O 3.42Å; V534-M577 HydrophobicContact CG2-CG 4.33Å; V534-M577 PolarHBondContact N-O 2.89Å; V534-M577 PolarHBondContact O-N 2.89Å; W536-M577 HydrophobicContact CH2-CE 3.64Å; W536-M577 HydrophobicContact CZ3-CE 3.97Å; I553-M577 HydrophobicContact CD1-CE 3.58Å; V567-M577 HydrophobicContact CG1-CE 4.46Å; V567-M577 HydrophobicContact CG1-SD 4.16Å; V569-M577 HydrophobicContact CB-CE 4.34Å; V569-M577 HydrophobicContact CG1-CE 4.16Å; V569-M577 HydrophobicContact CG2-CE 3.24Å; M577-L579 HydrophobicContact CE-CD2 4.35Å; M577-L579 HydrophobicContact CG-CD2 4.14Å; M577-L579 HydrophobicContact CG-CG 3.91Å; M577-L579 HydrophobicContact SD-CD2 3.47Å; M577-L579 WeakPolarHBondContact SD-CD2 3.17Å; M577-L579 HydrophobicContact SD-CG 3.93Å
578W88.1Confident83.4Confident104 Ų10458.8 Ų58.839%0.39433%0.326SS..EExtended strand (participates in β ladder)trans-85.2132.2159.9-71.999000110.4T526 E528 R531 I532 L533T526-W578 HydrophobicContact CG2-CH2 4.48Å; E528-W578 HydrophobicContact CG-CH2 4.44Å; E528-W578 HydrophobicContact CG-CZ3 4.45Å; E528-W578 WeakPolarHBondContact OE1-CH2 3.08Å; R531-W578 HydrophobicContact CB-CE3 3.93Å; R531-W578 HydrophobicContact CB-CZ3 4.36Å; R531-W578 HydrophobicContact CG-CE3 3.65Å; R531-W578 HydrophobicContact CG-CZ3 3.69Å; I532-W578 CarbonylContact O-C 3.59Å; I532-W578 WeakPolarHBondContact O-CA 3.31Å; L533-W578 HydrophobicContact CB-CD2 3.98Å; L533-W578 HydrophobicContact CB-CE3 3.81Å; L533-W578 HydrophobicContact CB-CH2 3.9Å; L533-W578 HydrophobicContact CB-CZ2 4.03Å; L533-W578 HydrophobicContact CB-CZ3 3.77Å; L533-W578 HydrophobicContact CD1-CD2 4.1Å; L533-W578 HydrophobicContact CD1-CG 4.19Å; L533-W578 HydrophobicContact CD2-CZ2 4.08Å; L533-W578 HydrophobicContact CG-CZ2 4.45Å
579L86.5Confident83.4Confident6 Ų656 Ų563%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-113.5127.4172.3-68.9163.1000108.9R531 I532 V534 I553 L555 V567 M577 C581R531-L579 CarbonylContact C-O 3.58Å; R531-L579 VanDerWaalsContact CA-O 3.28Å; R531-L579 WeakPolarHBondContact CA-O 3.4Å; I532-L579 HydrophobicContact CG2-CB 3.91Å; I532-L579 HydrophobicContact CG2-CD1 4.42Å; I532-L579 PolarHBondContact N-O 2.94Å; I532-L579 PolarHBondContact O-N 3.04Å; V534-L579 HydrophobicContact CG1-CD1 4.38Å; V534-L579 HydrophobicContact CG2-CD1 3.6Å; V534-L579 HydrophobicContact CG2-CG 4.27Å; I553-L579 HydrophobicContact CD1-CD1 3.98Å; I553-L579 HydrophobicContact CG2-CD1 3.92Å; L555-L579 HydrophobicContact CD2-CB 4.31Å; L555-L579 HydrophobicContact CD2-CD1 4.3Å; V567-L579 HydrophobicContact CB-CD2 3.83Å; V567-L579 HydrophobicContact CG1-CD2 3.78Å; V567-L579 HydrophobicContact CG2-CD2 3.76Å; M577-L579 HydrophobicContact CE-CD2 4.35Å; M577-L579 HydrophobicContact CG-CD2 4.14Å; M577-L579 HydrophobicContact CG-CG 3.91Å; M577-L579 HydrophobicContact SD-CD2 3.47Å; M577-L579 WeakPolarHBondContact SD-CD2 3.17Å; M577-L579 HydrophobicContact SD-CG 3.93Å; L579-C581 PolarHBondContact O-SG 2.79Å
580D83Confident83.5Confident132 Ų13254.7 Ų54.771%0.70630%0.299SS*.EExtended strand (participates in β ladder)trans-66.9141168.9-68-40.4000110.1
581C74.2Confident83.6Confident13 Ų1351.1 Ų51.19%0.08827%0.274CS..  trans-135132-165.4-80.10000111.7R530 I532 L579 L586R530-C581 PolarHBondContact O-N 2.91Å; I532-C581 WeakPolarHBondContact CG2-SG 3.36Å; L579-C581 PolarHBondContact O-SG 2.79Å; C581-L586 HydrophobicContact CB-CD1 3.85Å
582P72.1Confident84.1Confident64 Ų6450.7 Ų50.742%0.41627%0.269SS..  trans-68.1158168.829.3-32.2000111.3T557 L586T557-P582 HydrophobicContact CG2-CB 4.32Å; T557-P582 HydrophobicContact CG2-CG 3.66Å; P582-L586 HydrophobicContact CG-CD2 4.04Å
583E70.8Confident84.6Confident135 Ų13545 Ų4563%0.63123%0.229SC*.SBendtrans-76.1123.1179.9-63.2174.5-163.100109.2R530R530-E583 IonicContact CZ-OE1 3.54Å; R530-E583 VanDerWaalsContact CZ-OE1 3.28Å; R530-E583 IonicContact NE-OE1 2.67Å; R530-E583 PolarHBondContact NE-OE1 2.96Å; R530-E583 IonicContact NH2-OE1 3.2Å; R530-E583 PolarHBondContact NH2-OE1 2.9Å
584G74.6Confident85.4Confident18 Ų1843.9 Ų43.919%0.18622%0.217CC..SBendtrans144.9-174.7-174.400000113.9R527 D559R527-G584 PolarHBondContact NH2-O 3.06Å; D559-G584 WeakPolarHBondContact OD2-CA 3.42Å
585T77.9Confident85.8Confident33 Ų3340.9 Ų40.920%0.20221%0.212CC..  trans-86.2130.2173.2-55.50000110.1L558 D559 L606 Q608L558-T585 HydrophobicContact CD1-CG2 4.37Å; L558-T585 PolarHBondContact N-O 3.48Å; L558-T585 VanDerWaalsContact N-O 3.1Å; D559-T585 PolarHBondContact OD2-N 2.88Å; T585-L606 HydrophobicContact CG2-CD1 4Å; T585-L606 HydrophobicContact CG2-CD2 4.14Å; T585-L606 HydrophobicContact CG2-CG 4.03Å; T585-Q608 HydrophobicContact CG2-CG 4.41Å
586L82.2Confident85.9Confident1 Ų138.2 Ų38.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-113.9134-173.5-62.9174.7000111.2Q556 T557 C581 P582 L606 S607Q556-L586 WeakPolarHBondContact O-CA 3.4Å; T557-L586 HydrophobicContact CG2-CD2 3.73Å; C581-L586 HydrophobicContact CB-CD1 3.85Å; P582-L586 HydrophobicContact CG-CD2 4.04Å; L586-L606 CarbonylContact O-C 3.59Å; L586-L606 WeakPolarHBondContact O-CA 3.05Å; L586-S607 PolarHBondContact N-O 2.87Å; L586-S607 PolarHBondContact O-N 2.92Å
587S85.9Confident85.9Confident6 Ų635.8 Ų35.84%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-95.2134.7157.651.30000109.4Q556Q556-S587 WeakPolarHBondContact CB-OG 3.31Å; Q556-S587 PolarHBondContact N-O 2.96Å; Q556-S587 PolarHBondContact O-N 2.01Å; Q556-S587 PolarHBondContact O-OG 2.81Å; Q556-S587 PolarHBondContact OE1-OG 3.5Å
588L88.9Confident86.2Confident0 Ų036.6 Ų36.60%021%0.21CC..EExtended strand (participates in β ladder)trans-114.9133.1175-62.6170.8000110.1L522 V524 I532 V534 Y554 L555 Q604 T605L522-L588 HydrophobicContact CD2-CB 3.67Å; L522-L588 HydrophobicContact CD2-CD1 4.4Å; V524-L588 HydrophobicContact CG2-CD1 3.7Å; I532-L588 HydrophobicContact CD1-CD1 4.14Å; V534-L588 HydrophobicContact CG1-CD1 4.15Å; Y554-L588 WeakPolarHBondContact O-CA 3.41Å; L555-L588 HydrophobicContact CB-CD2 4.22Å; L555-L588 HydrophobicContact CD2-CD2 3.9Å; L555-L588 HydrophobicContact CG-CD2 3.67Å; L588-Q604 WeakPolarHBondContact O-CA 3.34Å; L588-T605 PolarHBondContact N-O 3.4Å; L588-T605 PolarHBondContact O-N 2.82Å
589Q91.1Very high86.4Confident30 Ų3032.3 Ų32.314%0.1420%0.198CC..EExtended strand (participates in β ladder)trans-127.7155.1168-62.5-165-81.500110.6I553 Y554 G602 Q604I553-Q589 CarbonylContact C-O 3.57Å; I553-Q589 WeakPolarHBondContact CA-O 3.41Å; Y554-Q589 HydrophobicContact CD2-CB 4.19Å; Y554-Q589 PolarHBondContact N-O 3Å; Y554-Q589 PolarHBondContact O-N 3.2Å; Q589-G602 PolarHBondContact NE2-O 2.92Å; Q589-Q604 HydrophobicContact CG-CB 4.48Å; Q589-Q604 HydrophobicContact CG-CG 3.67Å
590L92.1Very high86.7Confident1 Ų135 Ų351%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-130.7140.1178.2173.264.2000109.8P520 L522 W536 Y551 T552 I553 G602P520-L590 HydrophobicContact CB-CD2 3.71Å; P520-L590 HydrophobicContact CB-CG 4.41Å; P520-L590 HydrophobicContact CG-CD2 3.87Å; P520-L590 HydrophobicContact CG-CG 4.05Å; L522-L590 HydrophobicContact CB-CB 4.07Å; L522-L590 HydrophobicContact CB-CD2 4.06Å; L522-L590 HydrophobicContact CD1-CD2 4.17Å; L522-L590 HydrophobicContact CD2-CB 4.37Å; W536-L590 HydrophobicContact CB-CD2 3.41Å; W536-L590 VanDerWaalsContact CB-CD2 3.41Å; W536-L590 HydrophobicContact CD2-CD2 4.32Å; W536-L590 HydrophobicContact CG-CD2 3.6Å; Y551-L590 HydrophobicContact CD1-CD1 4.3Å; T552-L590 WeakPolarHBondContact O-CA 3.37Å; I553-L590 HydrophobicContact CG1-CD1 3.86Å; L590-G602 PolarHBondContact O-N 2.86Å
591T93.3Very high87.1Confident0 Ų033.8 Ų33.80%020%0.201CC..EExtended strand (participates in β ladder)trans-123.1155.6166.945.80000110.3Y551 T552 Y554 E598 R601Y551-T591 WeakPolarHBondContact CA-O 3.45Å; T552-T591 VanDerWaalsContact CB-OG1 3.28Å; T552-T591 WeakPolarHBondContact CB-OG1 3.49Å; T552-T591 PolarHBondContact N-O 3.01Å; T552-T591 VanDerWaalsContact N-O 3.08Å; T552-T591 PolarHBondContact O-N 3.32Å; T552-T591 PolarHBondContact O-OG1 2.82Å; Y554-T591 HydrophobicContact CE2-CG2 3.73Å; T591-E598 WeakPolarHBondContact CB-OE1 3.33Å; T591-E598 HydrophobicContact CG2-CG 3.89Å; T591-E598 PolarHBondContact OG1-OE1 3.22Å; T591-R601 HydrophobicContact CG2-CB 4.25Å; T591-R601 HydrophobicContact CG2-CG 3.65Å
592A93.9Very high87.7Confident0 Ų033.7 Ų33.70%020%0.203CC..EExtended strand (participates in β ladder)trans-104.8147.5159.300000109.6P516 P520 L539 I548 Y551 G599P516-A592 HydrophobicContact CB-CB 4.46Å; P516-A592 HydrophobicContact CG-CB 4.12Å; P520-A592 HydrophobicContact CG-CB 3.97Å; L539-A592 HydrophobicContact CD1-CB 3.71Å; I548-A592 HydrophobicContact CD1-CB 4.22Å; I548-A592 HydrophobicContact CG2-CB 4.15Å; Y551-A592 HydrophobicContact CD1-CB 4.02Å; Y551-A592 HydrophobicContact CE1-CB 3.94Å; A592-G599 PolarHBondContact O-N 2.81Å
593S93.9Very high88.3Confident3 Ų340.5 Ų40.52%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-124.8147.1169.8-58.80000110.8I548 S549 K550 G597 E598I548-S593 CarbonylContact C-O 3.41Å; I548-S593 WeakPolarHBondContact CA-O 3.32Å; S549-S593 PolarHBondContact N-O 2.03Å; S549-S593 PolarHBondContact OG-O 3.26Å; K550-S593 WeakPolarHBondContact CE-OG 3.36Å; K550-S593 PolarHBondContact N-O 3.04Å; K550-S593 PolarHBondContact O-N 3.28Å; S593-G597 WeakPolarHBondContact CA-O 3.04Å; S593-E598 WeakPolarHBondContact OG-CA 3.28Å; S593-E598 WeakPolarHBondContact OG-CB 3.47Å; S593-E598 PolarHBondContact OG-OE1 2.97Å
594N93.8Very high89Confident6 Ų639.8 Ų39.83%0.03222%0.217CC..EExtended strand (participates in β ladder)trans-127.7-166.6168.866.723.7000109.7E513 Q514 Q544 F547 I548 A596 G597E513-N594 WeakPolarHBondContact OE2-CB 3.23Å; Q514-N594 PolarHBondContact O-ND2 3.04Å; Q544-N594 PolarHBondContact O-ND2 3.05Å; F547-N594 WeakPolarHBondContact O-CA 3.49Å; F547-N594 WeakPolarHBondContact O-CB 3.43Å; I548-N594 HydrophobicContact CD1-CB 4.46Å; N594-A596 PolarHBondContact O-N 3.01Å; N594-A596 WeakPolarHBondContact OD1-CB 3.48Å; N594-A596 PolarHBondContact OD1-N 3Å; N594-G597 PolarHBondContact N-O 3.26Å; N594-G597 PolarHBondContact O-N 2.94Å
595S91.1Very high89.4Confident90 Ų9040.1 Ų40.163%0.62922%0.215SC*.THydrogen-bonded Turntrans-68.2-21.7-176.873.60000113.9E513 G597E513-S595 WeakPolarHBondContact OE1-CB 3.34Å; E513-S595 PolarHBondContact OE1-OG 3.03Å; E513-S595 PolarHBondContact OE2-N 3.33Å; E513-S595 PolarHBondContact OE2-OG 3.26Å; S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 3.25Å
596A90.4Very high89.6Confident41 Ų4143.2 Ų43.234%0.33923%0.23SC..THydrogen-bonded Turntrans-82.61.117200000113.6E513 K515 N594E513-A596 HydrophobicContact CB-CB 4.26Å; E513-A596 WeakPolarHBondContact O-CB 3.46Å; K515-A596 VanDerWaalsContact CE-O 3.31Å; K515-A596 WeakPolarHBondContact CE-O 3.45Å; K515-A596 HydrophobicContact CG-CB 4.46Å; K515-A596 VanDerWaalsContact CG-O 3.26Å; K515-A596 WeakPolarHBondContact CG-O 3.49Å; N594-A596 PolarHBondContact O-N 3.01Å; N594-A596 WeakPolarHBondContact OD1-CB 3.48Å; N594-A596 PolarHBondContact OD1-N 3Å
597G92.1Very high89.4Confident26 Ų2643.8 Ų43.827%0.26823%0.234SC..EExtended strand (participates in β ladder)trans107.8-163.1172.900000114.5S593 N594 S595S593-G597 WeakPolarHBondContact CA-O 3.04Å; N594-G597 PolarHBondContact N-O 3.26Å; N594-G597 PolarHBondContact O-N 2.94Å; S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 3.25Å
598E93.9Very high88.8Confident60 Ų6050.3 Ų50.328%0.2826%0.264SS..EExtended strand (participates in β ladder)trans-83.9135.1-173.8-167.4146.4-124.500112.1K515 T552 Y554 T591 S593K515-E598 WeakPolarHBondContact CD-O 3.16Å; T552-E598 VanDerWaalsContact CB-OE1 3.25Å; T552-E598 WeakPolarHBondContact CB-OE1 3.31Å; T552-E598 PolarHBondContact OG1-OE1 2.99Å; Y554-E598 PolarHBondContact OH-OE1 2.87Å; Y554-E598 PolarHBondContact OH-OE2 2.86Å; T591-E598 WeakPolarHBondContact CB-OE1 3.33Å; T591-E598 HydrophobicContact CG2-CG 3.89Å; T591-E598 PolarHBondContact OG1-OE1 3.22Å; S593-E598 WeakPolarHBondContact OG-CA 3.28Å; S593-E598 WeakPolarHBondContact OG-CB 3.47Å; S593-E598 PolarHBondContact OG-OE1 2.97Å
599G92.9Very high87.9Confident14 Ų1453.1 Ų53.114%0.14428%0.282CS..  trans-81.2-172.417500000113.5A592A592-G599 PolarHBondContact O-N 2.81Å
600P93.6Very high86.7Confident61 Ų6155.4 Ų55.440%0.39630%0.3SS..PPolyproline II helixtrans-67.6151-179.929.9-35.1000111.9P516 A519P516-P600 WeakPolarHBondContact O-CD 3.27Å; A519-P600 WeakPolarHBondContact CB-O 3.19Å
601R90.5Very high85.3Confident107 Ų10759.9 Ų59.940%0.40434%0.337SS..PPolyproline II helixtrans-73.9133.9174.1-71.9-177.6171.6-163.9-1.3111.1Y554 E564 T591Y554-R601 VanDerWaalsContact CD1-NH2 3.28Å; Y554-R601 HydrophobicContact CD2-CG 4.47Å; Y554-R601 HydrophobicContact CE2-CG 3.99Å; E564-R601 VanDerWaalsContact CD-NH2 3.32Å; E564-R601 IonicContact OE1-CZ 3.88Å; E564-R601 VanDerWaalsContact OE1-CZ 3.32Å; E564-R601 IonicContact OE1-NH1 3.18Å; E564-R601 PolarHBondContact OE1-NH1 3.48Å; E564-R601 IonicContact OE1-NH2 3.75Å; E564-R601 PolarHBondContact OE1-NH2 3.06Å; E564-R601 IonicContact OE2-CZ 2.74Å; E564-R601 IonicContact OE2-NH1 2.76Å; E564-R601 IonicContact OE2-NH2 3.82Å; E564-R601 PolarHBondContact OE2-NH2 2.89Å; T591-R601 HydrophobicContact CG2-CB 4.25Å; T591-R601 HydrophobicContact CG2-CG 3.65Å
602G86.4Confident83.8Confident11 Ų1164.7 Ų64.711%0.11337%0.368CS..PPolyproline II helixtrans-70168.9-179.900000114.7A519 Q589 L590 Q604A519-G602 VanDerWaalsContact CB-N 3.25Å; Q589-G602 PolarHBondContact NE2-O 2.92Å; L590-G602 PolarHBondContact O-N 2.86Å; G602-Q604 PolarHBondContact O-N 2.99Å
603R85.2Confident82.2Confident207 Ų20767.7 Ų67.778%0.78139%0.392SS*.PPolyproline II helixtrans-52.2128.5176.9-173.4-176.171-173.6-0109.9T605R603-T605 PolarHBondContact O-N 3.42Å
604Q84.3Confident80.7Confident120 Ų12071.5 Ų71.556%0.56142%0.415SS*.PPolyproline II helixtrans-58.5119.7174.7-69.2177.7-1.400109.9L588 Q589 G602L588-Q604 WeakPolarHBondContact O-CA 3.34Å; Q589-Q604 HydrophobicContact CG-CB 4.48Å; Q589-Q604 HydrophobicContact CG-CG 3.67Å; G602-Q604 PolarHBondContact O-N 2.99Å
605T84.1Confident79.1Confident26 Ų2673.5 Ų73.516%0.1644%0.437CS..EExtended strand (participates in β ladder)trans-100.6106173.2-65.60000107.5V524 L588 R603V524-T605 HydrophobicContact CG2-CG2 3.93Å; L588-T605 PolarHBondContact N-O 3.4Å; L588-T605 PolarHBondContact O-N 2.82Å; R603-T605 PolarHBondContact O-N 3.42Å
606L81.8Confident77.9Confident98 Ų9874.9 Ų74.951%0.51344%0.437SS..EExtended strand (participates in β ladder)trans-76.5131.4177.9-160.581.6000110L558 T585 L586L558-L606 HydrophobicContact CD1-CD1 3.84Å; L558-L606 HydrophobicContact CD2-CD1 4.04Å; T585-L606 HydrophobicContact CG2-CD1 4Å; T585-L606 HydrophobicContact CG2-CD2 4.14Å; T585-L606 HydrophobicContact CG2-CG 4.03Å; L586-L606 CarbonylContact O-C 3.59Å; L586-L606 WeakPolarHBondContact O-CA 3.05Å
607S77.9Confident76.9Confident12 Ų1277 Ų778%0.08445%0.446CS..EExtended strand (participates in β ladder)trans-118.6117.3170-173.90000109.8R527 I532 L586R527-S607 VanDerWaalsContact CD-OG 3.29Å; R527-S607 WeakPolarHBondContact CD-OG 3.46Å; R527-S607 VanDerWaalsContact NH1-C 3.3Å; R527-S607 PolarHBondContact NH1-O 3.12Å; R527-S607 PolarHBondContact NH1-OG 3.46Å; R527-S607 VanDerWaalsContact NH1-OG 3.07Å; I532-S607 WeakPolarHBondContact CD1-OG 3.38Å; L586-S607 PolarHBondContact N-O 2.87Å; L586-S607 PolarHBondContact O-N 2.92Å
608Q73.9Confident76Confident143 Ų14380.2 Ų80.267%0.66846%0.456SS*.PPolyproline II helixtrans-81.1150.4169.3-69.6176.2-24.700110.1R527 T585R527-Q608 VanDerWaalsContact NH1-C 3.26Å; R527-Q608 PolarHBondContact NH1-O 2.75Å; R527-Q608 VanDerWaalsContact NH1-O 3.15Å; T585-Q608 HydrophobicContact CG2-CG 4.41Å
609P69.9Low75.2Confident60 Ų6081.4 Ų81.439%0.3947%0.467SS..PPolyproline II helixtrans-62.7152.1169.828.3-34.8000110.4A611P609-A611 PolarHBondContact O-N 2.76Å
610P65.9Low74.6Confident78 Ų7885.4 Ų85.451%0.50648%0.484SS..PPolyproline II helixtrans-57.2130.2172.625.2-33.5000109.6
611A62.7Low74Confident94 Ų9486.2 Ų86.278%0.77749%0.488SS*.PPolyproline II helixtrans-55.3125.9-173.600000110.5P609 A613P609-A611 PolarHBondContact O-N 2.76Å; A611-A613 PolarHBondContact O-N 2.89Å
612P61.2Low73.6Confident102 Ų10287.4 Ų87.466%0.66250%0.496SS*.PPolyproline II helixtrans-65.4138-173.628.4-35.7000109.4V614P612-V614 HydrophobicContact CB-CG2 4.02Å; P612-V614 HydrophobicContact CG-CG2 4.15Å; P612-V614 PolarHBondContact O-N 3.13Å
613A61Low73.5Confident62 Ų6291.9 Ų91.951%0.51252%0.516SS..THydrogen-bonded Turntrans-68.119.3-171.200000115.2A611 G615 L616 V617A611-A613 PolarHBondContact O-N 2.89Å; A613-G615 PolarHBondContact O-N 2.94Å; A613-L616 HydrophobicContact CB-CD1 4.49Å; A613-L616 WeakPolarHBondContact O-CB 3.49Å; A613-L616 PolarHBondContact O-N 3.09Å; A613-V617 PolarHBondContact O-N 2.81Å
614V61.3Low73.6Confident83 Ų8386.3 Ų86.350%0.50350%0.501SS..Hα-helixtrans-52.6-35.6174-166.50000111.1P612 V617 I618P612-V614 HydrophobicContact CB-CG2 4.02Å; P612-V614 HydrophobicContact CG-CG2 4.15Å; P612-V614 PolarHBondContact O-N 3.13Å; V614-V617 PolarHBondContact O-N 3.07Å; V614-I618 HydrophobicContact CG1-CD1 3.85Å; V614-I618 HydrophobicContact CG1-CG1 4.25Å; V614-I618 WeakPolarHBondContact O-CB 3.47Å; V614-I618 VanDerWaalsContact O-CG1 3.25Å; V614-I618 WeakPolarHBondContact O-CG1 3.41Å; V614-I618 PolarHBondContact O-N 3.41Å
615G60.7Low73.6Confident48 Ų4884 Ų8450%0.49550%0.496SS..Hα-helixtrans-59.5-45.2173.100000113.2A613 I618 V619A613-G615 PolarHBondContact O-N 2.94Å; G615-I618 PolarHBondContact O-N 2.93Å; G615-V619 WeakPolarHBondContact O-CB 3.26Å; G615-V619 VanDerWaalsContact O-CG2 3.29Å; G615-V619 WeakPolarHBondContact O-CG2 3.36Å; G615-V619 PolarHBondContact O-N 2.62Å
616L66.4Low73.7Confident120 Ų12086.9 Ų86.963%0.62851%0.509SS*.Hα-helixtrans-67.7-39.4175.1-74.6168.1000111.6A613 V619 I620A613-L616 HydrophobicContact CB-CD1 4.49Å; A613-L616 WeakPolarHBondContact O-CB 3.49Å; A613-L616 PolarHBondContact O-N 3.09Å; L616-V619 PolarHBondContact O-N 3.48Å; L616-I620 WeakPolarHBondContact O-CB 3.45Å; L616-I620 WeakPolarHBondContact O-CD1 3.28Å; L616-I620 VanDerWaalsContact O-CG1 3.22Å; L616-I620 WeakPolarHBondContact O-CG1 3.26Å; L616-I620 PolarHBondContact O-N 2.85Å
617V70.1Confident73.8Confident85 Ų8585 Ų8552%0.51550%0.504SS..Hα-helixtrans-63.7-43.9175.9177.90000111.2A613 V614 I620 V621A613-V617 PolarHBondContact O-N 2.81Å; V614-V617 PolarHBondContact O-N 3.07Å; V617-I620 PolarHBondContact O-N 3.06Å; V617-V621 WeakPolarHBondContact O-CG2 3.39Å; V617-V621 PolarHBondContact O-N 3.31Å
618I72.8Confident74.1Confident94 Ų9489.6 Ų89.648%0.48253%0.527SS..Hα-helixtrans-62.2-43.8175-71.6168.1000110.6V614 G615 V621 F622V614-I618 HydrophobicContact CG1-CD1 3.85Å; V614-I618 HydrophobicContact CG1-CG1 4.25Å; V614-I618 WeakPolarHBondContact O-CB 3.47Å; V614-I618 VanDerWaalsContact O-CG1 3.25Å; V614-I618 WeakPolarHBondContact O-CG1 3.41Å; V614-I618 PolarHBondContact O-N 3.41Å; G615-I618 PolarHBondContact O-N 2.93Å; I618-V621 PolarHBondContact O-N 3.21Å; I618-F622 HydrophobicContact CG2-CD2 4.15Å; I618-F622 WeakPolarHBondContact O-CB 3.4Å; I618-F622 PolarHBondContact O-N 2.83Å
619V76.5Confident74.4Confident85 Ų8585.6 Ų85.652%0.51552%0.518SS..Hα-helixtrans-62.4-43.6175.9167.90000111.3G615 L616 V621 F622 I623G615-V619 WeakPolarHBondContact O-CB 3.26Å; G615-V619 VanDerWaalsContact O-CG2 3.29Å; G615-V619 WeakPolarHBondContact O-CG2 3.36Å; G615-V619 PolarHBondContact O-N 2.62Å; L616-V619 PolarHBondContact O-N 3.48Å; V619-V621 PolarHBondContact O-N 2.88Å; V619-F622 PolarHBondContact O-N 2.92Å; V619-I623 HydrophobicContact CG1-CG1 4.35Å; V619-I623 VanDerWaalsContact O-CG1 3.29Å; V619-I623 WeakPolarHBondContact O-CG1 3.43Å; V619-I623 PolarHBondContact O-N 2.96Å
620I79.7Confident75Confident97 Ų9787.3 Ų87.350%0.49752%0.523SS..Hα-helixtrans-62-43.3176-71163.4000110.8L616 V617 F622 I623 I624L616-I620 WeakPolarHBondContact O-CB 3.45Å; L616-I620 WeakPolarHBondContact O-CD1 3.28Å; L616-I620 VanDerWaalsContact O-CG1 3.22Å; L616-I620 WeakPolarHBondContact O-CG1 3.26Å; L616-I620 PolarHBondContact O-N 2.85Å; V617-I620 PolarHBondContact O-N 3.06Å; I620-F622 PolarHBondContact O-N 2.8Å; I620-I623 PolarHBondContact O-N 2.93Å; I620-I624 HydrophobicContact CG2-CD1 3.74Å; I620-I624 HydrophobicContact CG2-CG1 4.5Å; I620-I624 WeakPolarHBondContact O-CB 3.46Å; I620-I624 VanDerWaalsContact O-CG1 3.26Å; I620-I624 WeakPolarHBondContact O-CG1 3.28Å; I620-I624 PolarHBondContact O-N 3.35Å
621V82.4Confident75.7Confident78 Ų7887.8 Ų87.847%0.47352%0.524SS..Hα-helixtrans-64.3-38.4174.8170.70000111.5V617 I618 V619 I624 T625V617-V621 WeakPolarHBondContact O-CG2 3.39Å; V617-V621 PolarHBondContact O-N 3.31Å; I618-V621 PolarHBondContact O-N 3.21Å; V619-V621 PolarHBondContact O-N 2.88Å; V621-I624 PolarHBondContact O-N 3.42Å; V621-T625 HydrophobicContact CG1-CG2 4.41Å; V621-T625 WeakPolarHBondContact O-CB 3.03Å; V621-T625 WeakPolarHBondContact O-CG2 3.09Å; V621-T625 PolarHBondContact O-N 2.76Å; V621-T625 PolarHBondContact O-OG1 2.95Å
622F81.8Confident76.3Confident133 Ų13386 Ų8658%0.58351%0.51SS*.Hα-helixtrans-64.5-44.8173.6-109.9-86.8000112.1I618 V619 I620 I624 T625 I626I618-F622 HydrophobicContact CG2-CD2 4.15Å; I618-F622 WeakPolarHBondContact O-CB 3.4Å; I618-F622 PolarHBondContact O-N 2.83Å; V619-F622 PolarHBondContact O-N 2.92Å; I620-F622 PolarHBondContact O-N 2.8Å; F622-I624 PolarHBondContact O-N 3.12Å; F622-T625 WeakPolarHBondContact CA-OG1 3.03Å; F622-T625 PolarHBondContact O-N 3.07Å; F622-T625 PolarHBondContact O-OG1 3.24Å; F622-T625 VanDerWaalsContact O-OG1 3.12Å; F622-I626 HydrophobicContact CD1-CD1 4.04Å; F622-I626 VanDerWaalsContact O-CB 3.28Å; F622-I626 WeakPolarHBondContact O-CB 3.46Å; F622-I626 VanDerWaalsContact O-CG1 3.23Å; F622-I626 WeakPolarHBondContact O-CG1 3.45Å; F622-I626 PolarHBondContact O-N 2.94Å
623I84.4Confident77Confident104 Ų10486.1 Ų86.153%0.53350%0.504SS..Hα-helixtrans-61.1-44.2175.5-69.6-70.5000110.9V619 I620 S627V619-I623 HydrophobicContact CG1-CG1 4.35Å; V619-I623 VanDerWaalsContact O-CG1 3.29Å; V619-I623 WeakPolarHBondContact O-CG1 3.43Å; V619-I623 PolarHBondContact O-N 2.96Å; I620-I623 PolarHBondContact O-N 2.93Å; I623-S627 VanDerWaalsContact O-CB 3.27Å; I623-S627 WeakPolarHBondContact O-CB 3.42Å; I623-S627 PolarHBondContact O-N 2.82Å; I623-S627 PolarHBondContact O-OG 2.88Å
624I86.5Confident77.6Confident91 Ų9188.1 Ų88.147%0.46751%0.506SS..Hα-helixtrans-65.6-47.4178.4-70.7167.4000111I620 V621 F622 S627 I628I620-I624 HydrophobicContact CG2-CD1 3.74Å; I620-I624 HydrophobicContact CG2-CG1 4.5Å; I620-I624 WeakPolarHBondContact O-CB 3.46Å; I620-I624 VanDerWaalsContact O-CG1 3.26Å; I620-I624 WeakPolarHBondContact O-CG1 3.28Å; I620-I624 PolarHBondContact O-N 3.35Å; V621-I624 PolarHBondContact O-N 3.42Å; F622-I624 PolarHBondContact O-N 3.12Å; I624-S627 WeakPolarHBondContact O-CB 3.49Å; I624-S627 PolarHBondContact O-N 3.34Å; I624-I628 HydrophobicContact CG2-CD1 3.76Å; I624-I628 HydrophobicContact CG2-CG1 4.49Å; I624-I628 VanDerWaalsContact O-CG1 3.3Å; I624-I628 WeakPolarHBondContact O-CG1 3.38Å; I624-I628 PolarHBondContact O-N 2.7Å
625T85.5Confident77.9Confident72 Ų7290 Ų9044%0.44251%0.511SS..Hα-helixtrans-66.6-39.8179.948.80000112.6V621 F622 I628 A629V621-T625 HydrophobicContact CG1-CG2 4.41Å; V621-T625 WeakPolarHBondContact O-CB 3.03Å; V621-T625 WeakPolarHBondContact O-CG2 3.09Å; V621-T625 PolarHBondContact O-N 2.76Å; V621-T625 PolarHBondContact O-OG1 2.95Å; F622-T625 WeakPolarHBondContact CA-OG1 3.03Å; F622-T625 PolarHBondContact O-N 3.07Å; F622-T625 PolarHBondContact O-OG1 3.24Å; F622-T625 VanDerWaalsContact O-OG1 3.12Å; T625-I628 PolarHBondContact O-N 2.7Å; T625-A629 WeakPolarHBondContact O-CB 3.36Å; T625-A629 PolarHBondContact O-N 2.71Å
626I85.1Confident78.1Confident86 Ų8691.3 Ų91.344%0.44151%0.511SS..Hα-helixtrans-61.7-43.9170.8-71.6169.1000110.6F622 I628 A629 I630F622-I626 HydrophobicContact CD1-CD1 4.04Å; F622-I626 VanDerWaalsContact O-CB 3.28Å; F622-I626 WeakPolarHBondContact O-CB 3.46Å; F622-I626 VanDerWaalsContact O-CG1 3.23Å; F622-I626 WeakPolarHBondContact O-CG1 3.45Å; F622-I626 PolarHBondContact O-N 2.94Å; I626-I628 PolarHBondContact O-N 3.41Å; I626-A629 PolarHBondContact O-N 3.13Å; I626-I630 HydrophobicContact CG2-CD1 3.74Å; I626-I630 HydrophobicContact CG2-CG1 4.39Å; I626-I630 VanDerWaalsContact O-CG1 3.32Å; I626-I630 WeakPolarHBondContact O-CG1 3.4Å; I626-I630 PolarHBondContact O-N 3.22Å
627S83.4Confident77.8Confident59 Ų5993.2 Ų93.241%0.41351%0.51SS..Hα-helixtrans-62-43.9178.2-60.80000111.9I623 I624 I630 V631I623-S627 VanDerWaalsContact O-CB 3.27Å; I623-S627 WeakPolarHBondContact O-CB 3.42Å; I623-S627 PolarHBondContact O-N 2.82Å; I623-S627 PolarHBondContact O-OG 2.88Å; I624-S627 WeakPolarHBondContact O-CB 3.49Å; I624-S627 PolarHBondContact O-N 3.34Å; S627-I630 PolarHBondContact O-N 3Å; S627-V631 WeakPolarHBondContact O-CG2 3.25Å; S627-V631 PolarHBondContact O-N 2.86Å
628I84.9Confident77.3Confident108 Ų10891.5 Ų91.555%0.55450%0.502SS*.Hα-helixtrans-63-41.9174.8-68.5166.2000110.7I624 T625 I626 V631 A632I624-I628 HydrophobicContact CG2-CD1 3.76Å; I624-I628 HydrophobicContact CG2-CG1 4.49Å; I624-I628 VanDerWaalsContact O-CG1 3.3Å; I624-I628 WeakPolarHBondContact O-CG1 3.38Å; I624-I628 PolarHBondContact O-N 2.7Å; T625-I628 PolarHBondContact O-N 2.7Å; I626-I628 PolarHBondContact O-N 3.41Å; I628-V631 PolarHBondContact O-N 3.18Å; I628-A632 VanDerWaalsContact O-CB 3.31Å; I628-A632 WeakPolarHBondContact O-CB 3.46Å; I628-A632 PolarHBondContact O-N 2.59Å
629A81.3Confident76.7Confident59 Ų5990.6 Ų90.649%0.48850%0.503SS..Hα-helixtrans-64.2-39.8176.500000112.4T625 I626 A632 N633T625-A629 WeakPolarHBondContact O-CB 3.36Å; T625-A629 PolarHBondContact O-N 2.71Å; I626-A629 PolarHBondContact O-N 3.13Å; A629-A632 PolarHBondContact O-N 3.49Å; A629-N633 VanDerWaalsContact O-CB 3.27Å; A629-N633 WeakPolarHBondContact O-CB 3.4Å; A629-N633 PolarHBondContact O-N 3.27Å
630I81.1Confident75.9Confident96 Ų9689.8 Ų89.849%0.49250%0.498SS..Hα-helixtrans-63.6-46.7174-70.1166.6000110.5I626 S627 N633 L634I626-I630 HydrophobicContact CG2-CD1 3.74Å; I626-I630 HydrophobicContact CG2-CG1 4.39Å; I626-I630 VanDerWaalsContact O-CG1 3.32Å; I626-I630 WeakPolarHBondContact O-CG1 3.4Å; I626-I630 PolarHBondContact O-N 3.22Å; S627-I630 PolarHBondContact O-N 3Å; I630-N633 PolarHBondContact O-N 2.83Å; I630-L634 HydrophobicContact CG2-CD1 3.88Å; I630-L634 HydrophobicContact CG2-CG 4.4Å; I630-L634 WeakPolarHBondContact O-CB 3.5Å; I630-L634 VanDerWaalsContact O-CG 3.31Å; I630-L634 WeakPolarHBondContact O-CG 3.25Å; I630-L634 PolarHBondContact O-N 2.87Å
631V80.4Confident74.9Confident87 Ų8794 Ų9453%0.52751%0.508SS..Hα-helixtrans-63.2-42.8177.2171.60000111.3S627 I628 N633 L634 M635S627-V631 WeakPolarHBondContact O-CG2 3.25Å; S627-V631 PolarHBondContact O-N 2.86Å; I628-V631 PolarHBondContact O-N 3.18Å; V631-N633 VanDerWaalsContact C-N 3.34Å; V631-N633 PolarHBondContact O-N 2.88Å; V631-L634 PolarHBondContact O-N 2.84Å; V631-M635 HydrophobicContact CG1-CG 4.35Å; V631-M635 WeakPolarHBondContact O-CB 3.3Å; V631-M635 VanDerWaalsContact O-CG 3.23Å; V631-M635 WeakPolarHBondContact O-CG 3.46Å; V631-M635 PolarHBondContact O-N 2.86Å
632A76.9Confident73.7Confident58 Ų5897.7 Ų97.748%0.47952%0.518SS..Hα-helixtrans-62.5-40.4175.600000112.1I628 A629 M635 C636I628-A632 VanDerWaalsContact O-CB 3.31Å; I628-A632 WeakPolarHBondContact O-CB 3.46Å; I628-A632 PolarHBondContact O-N 2.59Å; A629-A632 PolarHBondContact O-N 3.49Å; A632-M635 PolarHBondContact O-N 3.44Å; A632-C636 WeakPolarHBondContact O-CB 3.41Å; A632-C636 PolarHBondContact O-N 2.88Å
633N74.8Confident72.4Confident103 Ų103101.4 Ų101.455%0.55153%0.528SS*.Hα-helixtrans-66.4-45.7175.6-165.1-20.8000111.2A629 I630 V631 M635 C636 W637A629-N633 VanDerWaalsContact O-CB 3.27Å; A629-N633 WeakPolarHBondContact O-CB 3.4Å; A629-N633 PolarHBondContact O-N 3.27Å; I630-N633 PolarHBondContact O-N 2.83Å; V631-N633 VanDerWaalsContact C-N 3.34Å; V631-N633 PolarHBondContact O-N 2.88Å; N633-M635 VanDerWaalsContact C-N 3.34Å; N633-M635 PolarHBondContact O-N 2.84Å; N633-C636 CarbonylContact O-C 3.59Å; N633-C636 WeakPolarHBondContact O-CB 3.36Å; N633-C636 PolarHBondContact O-N 2.82Å; N633-W637 WeakPolarHBondContact O-CB 3.19Å; N633-W637 PolarHBondContact O-N 2.99Å
634L73.1Confident71.2Confident104 Ų104101.3 Ų101.355%0.54553%0.527SS..Hα-helixtrans-61.1-39.2174.3-71.8170.1000112.7I630 V631 W637 S638I630-L634 HydrophobicContact CG2-CD1 3.88Å; I630-L634 HydrophobicContact CG2-CG 4.4Å; I630-L634 WeakPolarHBondContact O-CB 3.5Å; I630-L634 VanDerWaalsContact O-CG 3.31Å; I630-L634 WeakPolarHBondContact O-CG 3.25Å; I630-L634 PolarHBondContact O-N 2.87Å; V631-L634 PolarHBondContact O-N 2.84Å; L634-W637 WeakPolarHBondContact O-CB 3.35Å; L634-W637 PolarHBondContact O-N 2.91Å; L634-S638 PolarHBondContact O-N 3.04Å
635M68.4Low69.6Low124 Ų124104.9 Ų104.961%0.61154%0.539SS*.Hα-helixtrans-66.2-42.3174.4-72.9-69.3-81.200111.4V631 A632 N633 S638 C639V631-M635 HydrophobicContact CG1-CG 4.35Å; V631-M635 WeakPolarHBondContact O-CB 3.3Å; V631-M635 VanDerWaalsContact O-CG 3.23Å; V631-M635 WeakPolarHBondContact O-CG 3.46Å; V631-M635 PolarHBondContact O-N 2.86Å; A632-M635 PolarHBondContact O-N 3.44Å; N633-M635 VanDerWaalsContact C-N 3.34Å; N633-M635 PolarHBondContact O-N 2.84Å; M635-S638 WeakPolarHBondContact O-CB 3.45Å; M635-S638 PolarHBondContact O-N 2.75Å; M635-S638 PolarHBondContact O-OG 2.91Å; M635-C639 PolarHBondContact O-N 2.98Å
636C64.4Low68.1Low74 Ų74109.6 Ų109.650%0.556%0.556SS.*Hα-helixtrans-60.8-43.9171.8-166.90000111.5A632 N633 S638 C639 V640A632-C636 WeakPolarHBondContact O-CB 3.41Å; A632-C636 PolarHBondContact O-N 2.88Å; N633-C636 CarbonylContact O-C 3.59Å; N633-C636 WeakPolarHBondContact O-CB 3.36Å; N633-C636 PolarHBondContact O-N 2.82Å; C636-S638 VanDerWaalsContact C-N 3.28Å; C636-S638 PolarHBondContact O-N 2.84Å; C636-C639 WeakPolarHBondContact O-CA 3.29Å; C636-C639 WeakPolarHBondContact O-CB 3.43Å; C636-C639 PolarHBondContact O-N 2.85Å; C636-V640 WeakPolarHBondContact O-CG2 3.5Å; C636-V640 PolarHBondContact O-N 2.96Å
637W60.3Low66.2Low161 Ų161114.3 Ų114.361%0.6157%0.574SS**Hα-helixtrans-60.9-36.7175.4-153-22.9000111.1N633 L634 C639 V640 R641N633-W637 WeakPolarHBondContact O-CB 3.19Å; N633-W637 PolarHBondContact O-N 2.99Å; L634-W637 WeakPolarHBondContact O-CB 3.35Å; L634-W637 PolarHBondContact O-N 2.91Å; W637-C639 VanDerWaalsContact C-N 3.32Å; W637-C639 PolarHBondContact O-N 3.32Å; W637-V640 PolarHBondContact O-N 2.86Å; W637-R641 WeakPolarHBondContact O-CB 3.28Å; W637-R641 PolarHBondContact O-N 2.93Å
638S60Low64.6Low48 Ų48116.2 Ų116.234%0.33659%0.586SS.*Hα-helixtrans-61.4-38.9173.490.10000112.4L634 M635 C636 K642L634-S638 PolarHBondContact O-N 3.04Å; M635-S638 WeakPolarHBondContact O-CB 3.45Å; M635-S638 PolarHBondContact O-N 2.75Å; M635-S638 PolarHBondContact O-OG 2.91Å; C636-S638 VanDerWaalsContact C-N 3.28Å; C636-S638 PolarHBondContact O-N 2.84Å; S638-K642 WeakPolarHBondContact O-CG 3.22Å; S638-K642 PolarHBondContact O-N 2.68Å; S638-K642 VanDerWaalsContact O-N 3.09Å
639C60.7Low63.2Low76 Ų76118.5 Ų118.551%0.51460%0.597SS.*Hα-helixtrans-70.2-41175.3-67.10000112.1M635 C636 W637 K642 R643M635-C639 PolarHBondContact O-N 2.98Å; C636-C639 WeakPolarHBondContact O-CA 3.29Å; C636-C639 WeakPolarHBondContact O-CB 3.43Å; C636-C639 PolarHBondContact O-N 2.85Å; W637-C639 VanDerWaalsContact C-N 3.32Å; W637-C639 PolarHBondContact O-N 3.32Å; C639-K642 PolarHBondContact O-N 3.26Å; C639-R643 PolarHBondContact O-N 3.49Å; C639-R643 VanDerWaalsContact O-N 3.12Å
640V58.8Low61.7Low67 Ų67119.7 Ų119.741%0.40661%0.607SS.*Hα-helixtrans-64.1-44.1174.3172.10000111C636 W637 K642 R643 I644C636-V640 WeakPolarHBondContact O-CG2 3.5Å; C636-V640 PolarHBondContact O-N 2.96Å; W637-V640 PolarHBondContact O-N 2.86Å; V640-K642 VanDerWaalsContact C-N 3.32Å; V640-K642 PolarHBondContact O-N 2.67Å; V640-R643 PolarHBondContact O-N 3.09Å; V640-R643 VanDerWaalsContact O-N 3.11Å; V640-I644 HydrophobicContact CG1-CD1 3.69Å; V640-I644 HydrophobicContact CG1-CG1 4.32Å; V640-I644 WeakPolarHBondContact O-CG1 3.46Å; V640-I644 PolarHBondContact O-N 3.21Å
641R57.9Low60Low187 Ų187127.5 Ų127.571%0.70663%0.631SS**Hα-helixtrans-65-33.7179.6-154.3173.8-161.6179.25.6112W637 K645W637-R641 WeakPolarHBondContact O-CB 3.28Å; W637-R641 PolarHBondContact O-N 2.93Å; R641-K645 PolarHBondContact O-N 2.88Å
642K57.6Low58.2Low155 Ų155126.6 Ų126.667%0.67464%0.639SS**Hα-helixtrans-64.3-47.2168.8-76.4177.8178.6177.80112S638 C639 V640 I644 K645 Q646S638-K642 WeakPolarHBondContact O-CG 3.22Å; S638-K642 PolarHBondContact O-N 2.68Å; S638-K642 VanDerWaalsContact O-N 3.09Å; C639-K642 PolarHBondContact O-N 3.26Å; V640-K642 VanDerWaalsContact C-N 3.32Å; V640-K642 PolarHBondContact O-N 2.67Å; K642-I644 PolarHBondContact O-N 3.02Å; K642-K645 PolarHBondContact O-N 3.13Å; K642-Q646 PolarHBondContact O-N 2.91Å
643R55.3Low56.8Low210 Ų210128.6 Ų128.679%0.79265%0.647SS**Hα-helixtrans-64.3-37.1177.5-76.6-175.7172.4175.9-1.2113.5C639 V640 Q646C639-R643 PolarHBondContact O-N 3.49Å; C639-R643 VanDerWaalsContact O-N 3.12Å; V640-R643 PolarHBondContact O-N 3.09Å; V640-R643 VanDerWaalsContact O-N 3.11Å; R643-Q646 PolarHBondContact O-N 2.84Å
644I58Low55.3Low102 Ų102133.3 Ų133.352%0.52367%0.666SS.*Hα-helixtrans-68.5-45.4178.3-68.5171.7000111.2V640 K642 Q646 K647 C648V640-I644 HydrophobicContact CG1-CD1 3.69Å; V640-I644 HydrophobicContact CG1-CG1 4.32Å; V640-I644 WeakPolarHBondContact O-CG1 3.46Å; V640-I644 PolarHBondContact O-N 3.21Å; K642-I644 PolarHBondContact O-N 3.02Å; I644-Q646 PolarHBondContact O-N 3.06Å; I644-Q646 VanDerWaalsContact O-N 3.08Å; I644-K647 PolarHBondContact O-N 2.89Å; I644-K647 VanDerWaalsContact O-N 3.12Å; I644-C648 PolarHBondContact O-N 2.78Å
645K54.2Low54.3Low167 Ų167138.4 Ų138.473%0.72668%0.678SS**Hα-helixtrans-57.8-26.2177.2-108.4-168.5173.3-169.70113.5R641 K642R641-K645 PolarHBondContact O-N 2.88Å; K642-K645 PolarHBondContact O-N 3.13Å
646Q52.7Low53.3Low171 Ų171139.9 Ų139.980%0.79969%0.688SS**THydrogen-bonded Turntrans-88.5-3.2-177.5-157.2166.61.800114.4K642 R643 I644K642-Q646 PolarHBondContact O-N 2.91Å; R643-Q646 PolarHBondContact O-N 2.84Å; I644-Q646 PolarHBondContact O-N 3.06Å; I644-Q646 VanDerWaalsContact O-N 3.08Å
647K46.3Very low52.4Low184 Ų184142.4 Ų142.480%0.870%0.7SS**THydrogen-bonded Turntrans-114-11.3173.6-83.3-154.9170.4-1660115.7I644I644-K647 PolarHBondContact O-N 2.89Å; I644-K647 VanDerWaalsContact O-N 3.12Å
648C50.4Low51.1Low99 Ų99142.3 Ų142.367%0.66971%0.706SS**THydrogen-bonded Turntrans-94.510.1-177.4-63.30000115.4I644I644-C648 PolarHBondContact O-N 2.78Å
649I53.5Low50.3Low156 Ų156146.8 Ų146.880%0.873%0.727SS**THydrogen-bonded Turntrans-102.71.2178.4-63.7176000111.6
650A50.4Low49Very low84 Ų84151.2 Ų151.269%0.69474%0.744SS**SBendtrans-86.4-28.9-176.800000115.2
651W44.8Very low48.1Very low261 Ų261153.5 Ų153.599%0.98976%0.76SS**SBendtrans-133.588.3-176.9-76.4-14000111.1
652G43Very low47.2Very low67 Ų67154 Ų15469%0.69177%0.768SS**  trans-165.3116.2173.400000110.1
653P47.2Very low46.5Very low101 Ų101152.8 Ų152.866%0.65678%0.776SS**  trans-81165.4-164.230.5-36.4000116W655P653-W655 VanDerWaalsContact C-N 3.32Å; P653-W655 PolarHBondContact O-N 3.43Å
654E43.2Very low46.3Very low202 Ų202145.5 Ų145.594%0.94477%0.765SS**THydrogen-bonded Turntrans-82.220.1-152.2-148.5164.8-159.300116.5
655W52.7Low45.8Very low210 Ų210150 Ų15080%0.79578%0.784SS**THydrogen-bonded Turntrans-116.812-168.358.7-84.3000115.6P653P653-W655 VanDerWaalsContact C-N 3.32Å; P653-W655 PolarHBondContact O-N 3.43Å
656L48.7Very low45.3Very low156 Ų156147.2 Ų147.282%0.81779%0.786SS**  trans-97.224.9-179.7-118.1165000114.2
657V45.2Very low45.3Very low127 Ų127145.4 Ų145.477%0.7778%0.781SS**  trans-133.466.7178.7-168.20000111.6
658H33.5Very low45.7Very low159 Ų159141 Ų14174%0.73678%0.779SS**SBendtrans-169.6115.8138.8-106.337.5000114.1
659N42.9Very low45.6Very low142 Ų142143 Ų14376%0.75978%0.782SS**  trans41.685.5136.1-55.8-24.2000119.4
660L32Very low45.3Very low169 Ų169145.7 Ų145.789%0.88578%0.782SS**  trans-121159151.6-83.9169.9000109.7
661P40Very low45.3Very low114 Ų114149.2 Ų149.274%0.7479%0.789SS**  -95.7165.7-121.734.2-39.3000116.6P663P661-P663 WeakPolarHBondContact O-CD 3.22Å
662K39Very low45.6Very low198 Ų198145 Ų14586%0.86179%0.785SS**  trans-61.8120.5173.5-60.9177.8-179.7-179.80111.5G664K662-G664 PolarHBondContact O-N 2.81Å
663P44.2Very low45.4Very low130 Ų130150.5 Ų150.584%0.84479%0.792SS**  trans-80.751.6168.135.3-35.5000111.2P661 H665P661-P663 WeakPolarHBondContact O-CD 3.22Å; P663-H665 VanDerWaalsContact C-N 3.32Å; P663-H665 PolarHBondContact O-N 3.5Å
664G49.4Very low45Very low56 Ų56153.6 Ų153.658%0.57780%0.803SS**  trans-76.9-11.1-17300000115.5K662K662-G664 PolarHBondContact O-N 2.81Å
665H49.3Very low44.5Very low196 Ų196150.9 Ų150.991%0.90780%0.795SS**  trans-143.479.6-175.3-64.1-64000111.8P663P663-H665 VanDerWaalsContact C-N 3.32Å; P663-H665 PolarHBondContact O-N 3.5Å
666S43.3Very low43.6Very low109 Ų109151.6 Ų151.676%0.76280%0.798SS**  trans-146.8150.6159.1-168.30000110.6A668S666-A668 VanDerWaalsContact C-N 3.28Å; S666-A668 PolarHBondContact O-N 3.47Å
667N52.6Low42.8Very low133 Ų133148.7 Ų148.771%0.71179%0.79SS**THydrogen-bonded Turntrans-8619.3-146.8-144.626.2000115.6R670N667-R670 WeakPolarHBondContact OD1-CD 3.2Å
668A53.7Low42.2Very low92 Ų92149.6 Ų149.676%0.7679%0.786SS**THydrogen-bonded Turntrans-103.8-9.1-166.700000115.9S666S666-A668 VanDerWaalsContact C-N 3.28Å; S666-A668 PolarHBondContact O-N 3.47Å
669I49Very low42Very low142 Ų142151.7 Ų151.773%0.72879%0.788SS**SBendtrans-112.8-2.3-177.3-74174.1000112.8L671I669-L671 PolarHBondContact O-N 2.68Å
670R48.3Very low41.4Very low211 Ų211151 Ų15180%0.79678%0.783SS**THydrogen-bonded Turntrans-7333.1178.1-61.5-174.268.1-175.31.2114.8N667N667-R670 WeakPolarHBondContact OD1-CD 3.2Å
671L49.7Very low41.4Very low159 Ų159151.5 Ų151.583%0.83278%0.779SS**THydrogen-bonded Turntrans-143.3-0.4-172.9-92.4174.3000116.1I669I669-L671 PolarHBondContact O-N 2.68Å
672L50.7Low40.9Very low173 Ų173151.4 Ų151.491%0.90678%0.78SS**THydrogen-bonded Turntrans-138-2.7-178.7-73.3176.4000116.3
673E39.4Very low40.5Very low182 Ų182146.4 Ų146.485%0.8577%0.771SS**  trans-136.384.8171.7-72.9-168.8132.300111
674D37.9Very low39.9Very low166 Ų166147 Ų14789%0.88877%0.765SS**  trans-159.4118.9159.9-132.87.7000103.6
675D33Very low39Very low144 Ų144150.9 Ų150.977%0.7777%0.773SS**  cis-137.6162.631.6-178.619.2000112.2
676R32.9Very low38.3Very low225 Ų225146.7 Ų146.785%0.84977%0.765SS**  trans-130.8119.1173.1-172.3-168-164.7-173.27.5110.5
677S32.2Very low37.8Very low95 Ų95148.9 Ų148.966%0.66477%0.769SS**  trans102.2112.5157.479.40000119.2
678E32.3Very low38Very low146 Ų146147.3 Ų147.368%0.68277%0.766SS**  83.3135.6127.3-116.1179.5-108.300122
679R30.3Very low37Very low204 Ų204150 Ų15077%0.7777%0.773SS**  trans81.4141.7157.4-56.8173.9-162.3-174.17.1117.3
680L30.1Very low36.3Very low126 Ų126150.8 Ų150.866%0.6678%0.778SS**  cis-160.4177.6-9.7-119.6170.2000110.7
681F32.2Very low35.7Very low181 Ų181146.2 Ų146.279%0.79478%0.778SS**  trans70.1143.7173.8-43.2-74.8000114.9
682S29.1Very low35.4Very low111 Ų111144.7 Ų144.778%0.77678%0.778SS**  cis-176.2155.4-2047.80000105.5
683S30.4Very low34.9Very low94 Ų94144.1 Ų144.166%0.65777%0.774SS**  cis-157.2151.326.365.40000110
684I31.5Very low34.5Very low142 Ų142143.3 Ų143.373%0.72877%0.774SS**  57.3126.695.6-50.8172.4000112.6
685D31.9Very low34.2Very low137 Ų137140.8 Ų140.873%0.73377%0.765SS**  cis-149.9142.27.4-119-22.8000110.4
686S33.8Very low34Very low108 Ų108140.1 Ų140.176%0.75577%0.766SS**  82.7129.493.2-70.50000118.9
687D32.3Very low33.9Very low155 Ų155135.3 Ų135.383%0.82977%0.766SS**  trans-94.3177.9167.7-115.9-27.9000109.9
688P56.5Low34.1Very low101 Ų101139.3 Ų139.366%0.65678%0.775SS**  cis-132.2-165.4-30.640.6-24.5000111.1
689T34.3Very low34.2Very low147 Ų147141.4 Ų141.490%0.90278%0.784SS**  trans-176.6173.1134.120.40000113.6
690L33.1Very low34.3Very low159 Ų159138.6 Ų138.683%0.83278%0.78SS**  trans-124.3158-166.8-79.8165.3000114.7
691S35Very low34.3Very low115 Ų115141.4 Ų141.480%0.80478%0.782SS**  trans71.7161.1162.8120000116.9
692P44.5Very low34.3Very low127 Ų127138.8 Ų138.883%0.82578%0.776SS**  cis-121.3-175.316.742.4-29.2000116.4
693I39.8Very low34.4Very low161 Ų161142.4 Ų142.483%0.82678%0.781SS**  trans-105.1140.8-179.1-65.8163.7000110.4
694L31.7Very low34.4Very low165 Ų165142.6 Ų142.686%0.86479%0.788SS**  trans-152.699.6160.5-112172.7000114.4
695V31Very low34.4Very low114 Ų114146.7 Ų146.769%0.69180%0.796SS**  trans26.3110.5138.9-1770000120.8
696V30Very low34.6Very low130 Ų130145.2 Ų145.279%0.78879%0.794SS**  trans57120134.7-179.10000121.4
697S29Very low34.3Very low123 Ų123145.3 Ų145.386%0.8679%0.79SS**  -150.8159.7121.4-20.70000109.5
698Q37.5Very low34.2Very low180 Ų180146.1 Ų146.184%0.84179%0.793SS**  trans-135120-178.8170.7-171.5-26.400109.2
699E34Very low32.8Very low189 Ų189148.8 Ų148.888%0.88380%0.796SS**  trans-154.1160.5165.3-114.5136.4-156.300111.6
700E33.1Very low32.5Very low146 Ų146147.7 Ų147.768%0.68279%0.789SS**  trans-27.8161.3-179.2-65.5-160.7115.700120.7
701R30.3Very low32.4Very low185 Ų185147.9 Ų147.970%0.69879%0.785SS**  cis-178.1143.2-14.2168.3-165.6-68.6-107.18.5108.6
702D30.7Very low32Very low125 Ų125151.1 Ų151.167%0.66879%0.788SS**  trans40.2150.6156.1-50.3-29.6000123.8
703E31.3Very low31.2Very low188 Ų188150.2 Ų150.288%0.87979%0.785SS**  trans49.4113.5153.7-70.3-179.1-158.200121.8
704A30Very low31.6Very low98 Ų98147.7 Ų147.781%0.8178%0.779SS**  -179.1152.298.300000113.4
705Y32.7Very low31.4Very low228 Ų228147.5 Ų147.589%0.89478%0.778SS**  trans-93.8139.8162.7-96-92.4000110.6
706P35.8Very low31.3Very low106 Ų106145.2 Ų145.269%0.68878%0.778SS**  trans-117.6130.3137.932.5-23.3000109.3
707T28.2Very low31.2Very low110 Ų110143.5 Ų143.568%0.67578%0.778SS**  63.2109.664.9-54.60000112.1
708I28.9Very low31.1Very low171 Ų171145.5 Ų145.588%0.87777%0.773SS**  trans-110.9127.1170.3-66.5177000108.3
709H26.9Very low30.6Very low158 Ų158144.3 Ų144.373%0.73177%0.768SS**  trans-94.1153.5169.7-78.5-100.7000111.2
710V29.3Very low30.2Very low124 Ų124139.7 Ų139.775%0.75276%0.762SS**  trans-164.9113.9142.2151.60000102.5
711E30Very low29.9Very low162 Ų162142.9 Ų142.976%0.75777%0.773SS**  63.5139.580.6-72.7170.6156.900112.9
712E28Very low29.4Very low184 Ų184139.5 Ų139.586%0.8678%0.778SS**  cis-147.4-178.611.6-144.1179.416400112.6
713S26.8Very low29.2Very low108 Ų108141 Ų14176%0.75579%0.786SS**  trans-94.1-176.1175.8-130.10000111.4
714P48.8Very low28.9Very low108 Ų108140 Ų14070%0.70178%0.78SS**  cis-115.2-166.5-10.133.8-12.4000110.8
715D27.7Very low28.7Very low160 Ų160145.1 Ų145.186%0.85678%0.779SS**  cis-167.5174.632.9-144-28.8000111.6
716G28.1Very low28.5Very low66 Ų66139.9 Ų139.968%0.6877%0.77SS**  trans103.779.315700000120.5
717A27.9Very low28Very low95 Ų95142 Ų14279%0.78578%0.781SS**  trans14.2120.1149.400000123.6
718E26.2Very low27.9Very low164 Ų164143.8 Ų143.877%0.76679%0.786SS**  69.1131.3127.6-62.8-144.4115.800125.6
719Q27.1Very low27.7Very low156 Ų156141.2 Ų141.273%0.72978%0.778SS**  trans57.292.6141.3-89.963.5-60.200121.5
720A26.9Very low27.6Very low91 Ų91140.8 Ų140.875%0.75278%0.776SS**  trans-71.2155.6146.800000112.8
721K25.7Very low27.5Very low213 Ų213142.3 Ų142.393%0.92678%0.775SS**  179.6128.5121.5-98.8163.9-173.9175.30114
722S21.2Very low27.5Very low115 Ų115141 Ų14180%0.80478%0.778SS**  trans-175.2148.2171.6177.10000107.9
723L26Very low27.4Very low157 Ų157135.7 Ų135.782%0.82277%0.773SS**  cis-161169.9-29.4-163.887.3000107.6
724H24.3Very low27.4Very low165 Ų165140.9 Ų140.976%0.76478%0.778SS**  trans-20.2133.5166.1-97.3-29.5000121.8
725R25.6Very low26.5Very low207 Ų207144.7 Ų144.778%0.78178%0.783SS**  90.6128.1110.4-165.2-155.8-174.51603.4120.4
726T28.6Very low27.3Very low117 Ų117142 Ų14272%0.71877%0.774SS**  trans57.4134156.546.20000120.4
727V25.4Very low27.3Very low150 Ų150147.7 Ų147.791%0.90978%0.783SS**  -163.4173.8104.3141.10000110.2
728L25.6Very low27.5Very low149 Ų149151.3 Ų151.378%0.7879%0.788SS**  trans-101.2133.6-160.3-176.972.1000112.2
729V26.3Very low27.7Very low117 Ų117148.2 Ų148.271%0.70979%0.79SS**  trans70.8152.5148.4165.20000116.2
730E24.3Very low27.9Very low148 Ų148145.4 Ų145.469%0.69279%0.793SS**  cis-151.5165.218.2-151.2176.9-129.600113.2
731H27.3Very low28Very low157 Ų157149 Ų14973%0.72780%0.799SS**  trans57.1148.2154.1-80.2130000120.4
732T29Very low28.3Very low133 Ų133144.4 Ų144.482%0.81679%0.788SS**  cis-141.41657.755.70000110.5
733G27.2Very low28.9Very low74 Ų74145 Ų14576%0.76379%0.79SS**  trans164.242.4165.100000124.7
734Y27.3Very low29Very low217 Ų217145.4 Ų145.485%0.85179%0.792SS**  trans55.7114.3147.8-150.7-92.9000122.4
735K29.8Very low29.2Very low188 Ų188144.5 Ų144.582%0.81779%0.793SS**  165145116-157.5160.1-174.2179.70111.4
736P42.8Very low29.4Very low102 Ų102144 Ų14466%0.66280%0.799SS**  trans-108.4153.4-161.339.3-34.8000118.1
737Q29.1Very low29.4Very low186 Ų186144.9 Ų144.987%0.86980%0.795SS**  trans49134.4140.8-65-179.3-3.500122.7
738I32.2Very low29.5Very low172 Ų172146 Ų14688%0.88279%0.794SS**  -160.3154.6114.2-99.5156.8000108.9
739A29.4Very low29.6Very low98 Ų98148.8 Ų148.881%0.8179%0.794SS**  trans-97.8165.8-177.900000112.9
740A31.6Very low29.6Very low97 Ų97148 Ų14880%0.80280%0.801SS**  trans-102.8140.8-178.800000112.9
741L29.7Very low29.9Very low167 Ų167145.4 Ų145.487%0.87480%0.804SS**  trans-157.2134.5161.4-101.6172.8000110.5
742V31Very low29.9Very low116 Ų116147.3 Ų147.370%0.70381%0.805SS**  trans20.9126.6150.5-178.40000120.3
743P35Very low30Very low129 Ų129147.3 Ų147.384%0.83880%0.796SS**  trans-88.4149.2145.9-1.922.2000112.1
744L28Very low30.2Very low164 Ų164151 Ų15186%0.85979%0.793SS**  trans-113.4150.3-178.7-176.371.5000110.1
745D27.7Very low30.2Very low147 Ų147146.9 Ų146.979%0.78678%0.782SS**  trans-74146.4170.9-66-67.2000112.5
746E29.8Very low30.1Very low196 Ų196147.1 Ų147.192%0.91678%0.777SS**  -172.6145.8119-105.2-175.8158.300115.9
747E29.5Very low29.3Very low135 Ų135150.7 Ų150.763%0.63179%0.785SS**  trans-21138.2172-174.9-178.9-87.900122R749E747-R749 HydrophobicContact CG-CG 4.11Å; E747-R749 IonicContact OE2-CZ 2.91Å; E747-R749 IonicContact OE2-NE 2.67Å; E747-R749 PolarHBondContact OE2-NE 3.28Å; E747-R749 IonicContact OE2-NH2 3.7Å
748I27.6Very low29.3Very low175 Ų175149.1 Ų149.190%0.89778%0.783SS**  trans-135.7144.4133.4-66.3-169.5000109.8
749R26.5Very low30Very low206 Ų206145.6 Ų145.678%0.77777%0.771SS**  trans-93.3157.2-165.6-50.8167.1-174.6171.7-3.1115.6E747E747-R749 HydrophobicContact CG-CG 4.11Å; E747-R749 IonicContact OE2-CZ 2.91Å; E747-R749 IonicContact OE2-NE 2.67Å; E747-R749 PolarHBondContact OE2-NE 3.28Å; E747-R749 IonicContact OE2-NH2 3.7Å
750A28Very low30Very low102 Ų102148.7 Ų148.784%0.84377%0.769SS**  trans-162.8148.6134.100000113.2
751A29.4Very low29.9Very low93 Ų93151.1 Ų151.177%0.76977%0.767SS**  trans-52.7170.3-177.300000116.2
752R28.3Very low29.9Very low197 Ų197147.1 Ų147.174%0.74376%0.758SS**  cis-175.5157.545.3-155.7175.3172.5145.58.1113.1
753E30.9Very low29.8Very low133 Ų133150.6 Ų150.662%0.62177%0.767SS**  trans32.3135.3153.2-71.6148.4-156.600119.4
754E30.4Very low29.6Very low152 Ų152152.6 Ų152.671%0.7177%0.765SS**  cis-168.5-176.84.4-137.1-176.4104.200106.8
755Q27.6Very low29.7Very low130 Ų130149.5 Ų149.561%0.60775%0.749SS**  cis-161.8174.57.9-172-177.886.800108.7
756R28.1Very low29.7Very low192 Ų192151.8 Ų151.873%0.72575%0.747SS**  trans92.178.9149.4-160.1171.7-63.5-157.3-1.4120.3
757E26.4Very low29.5Very low177 Ų177149.3 Ų149.383%0.82774%0.739SS**  49.495.1113.1-62.4174.5147.700119.9
758D27.4Very low29.3Very low154 Ų154149.4 Ų149.482%0.82474%0.743SS**  -56.8-179.5127.6-103.6-35.6000112
759P48.3Very low29.3Very low98 Ų98148.9 Ų148.964%0.63674%0.741SS**  cis-127.4-152.414.536.8-13.7000111.9
760E29.9Very low29.2Very low162 Ų162141.7 Ų141.776%0.75773%0.731SS**  cis-159.81729.8-142.6165-97.400106.4
761I28.5Very low29Very low148 Ų148146 Ų14676%0.75973%0.731SS**  cis-141.8170.318.5-47167.4000109.8
762A30.3Very low28.8Very low84 Ų84150.1 Ų150.169%0.69474%0.735SS**  trans-60.1176168.700000114.1
763E27.7Very low28.8Very low189 Ų189144 Ų14488%0.88373%0.733SS**  -148.4176.452.3-143.1171.1-146.900115.1
764E31.9Very low28.6Very low171 Ų171146.7 Ų146.780%0.79974%0.743SS**  trans-78.4-176.7-174.2-55.6177.5115.600111.6
765D29.2Very low28.5Very low99 Ų99147.1 Ų147.153%0.52975%0.749SS.*  cis-171.6167.627.2-158.86.4000115.7
766R27.6Very low28.4Very low195 Ų195144.6 Ų144.674%0.73676%0.759SS**  trans65.7109.8149.3-86.6165.5179117.55.9123.8
767L25.4Very low28.4Very low144 Ų144139.1 Ų139.175%0.75476%0.761SS**  65.8164.3124.3-59.5173.4000121.5
768L27Very low28.5Very low136 Ų136140.1 Ų140.171%0.71276%0.764SS**  -173.7146.2-55.1-116.9-170.8000109.6
769L27Very low28.5Very low164 Ų164139.6 Ų139.686%0.85976%0.76SS**  trans65.7153.8167.2-54.9167.5000117.1
770G24.5Very low27.5Very low55 Ų55139.9 Ų139.957%0.56776%0.764SS**  cis171.8173.3-6.400000113.4
771F24.2Very low27.2Very low192 Ų192139.1 Ų139.184%0.84277%0.765SS**  trans67.6138.6-179.6-63.2-91.2000116.7
772E25.4Very low27Very low181 Ų181140.1 Ų140.185%0.84677%0.769SS**  cis110.5131.713-80.2-155.5129.500115.6
773G27.9Very low26.7Very low69 Ų69141 Ų14171%0.71176%0.762SS**  trans106.2149160.500000117.2
774F25.7Very low26.5Very low189 Ų189141.4 Ų141.483%0.82976%0.756SS**  cis-163.3137.1-4.1-146.7-117.1000112.4
775L29.5Very low26.1Very low160 Ų160138.5 Ų138.584%0.83875%0.754SS**  trans52.1147.9158.7-69.4179.7000124.1
776G25.6Very low25.9Very low78 Ų78138.9 Ų138.980%0.80476%0.764SS**  trans157.191.9144.800000118.6
777G28.2Very low25.8Very low76 Ų76134.6 Ų134.678%0.78476%0.764SS**  trans-91.7-172.2157.600000111.7
778F27.1Very low25.8Very low199 Ų199131.9 Ų131.987%0.87376%0.757SS**  cis-170.81698.6-139.5-66.7000109.5
779L27.6Very low25.8Very low142 Ų142133.3 Ų133.374%0.74376%0.76SS**  trans85.1139.6150.8-71.4178.1000123.4
780S26.9Very low25.6Very low104 Ų104136.3 Ų136.373%0.72776%0.76SS**  trans57128152.2520000119.9
781D24.5Very low25.7Very low147 Ų147139.6 Ų139.679%0.78677%0.769SS**  cis75.898.134.5-168.426.4000115.6
782M24.2Very low25.7Very low169 Ų169135.6 Ų135.683%0.83376%0.76SS**  -166.5129.4127.4-121.3-168.1-86.800114.9
783D23.3Very low25.6Very low103 Ų103135.1 Ų135.155%0.55176%0.762SS**  trans65.2127.8132.6-124.82.3000125.8
784R23.2Very low25.4Very low197 Ų197135.4 Ų135.474%0.74377%0.765SS**  trans66.7119.7132.3-98.4174-175.693.7-0.5124.5
785S24.3Very low25.4Very low109 Ų109131.1 Ų131.176%0.76276%0.759SS**  76.9153124.582.30000118.6
786S25.2Very low25.1Very low107 Ų107129.9 Ų129.975%0.74876%0.758SS**  cis-151.8175.5-2.934.80000112.1
787S24.7Very low25.1Very low106 Ų106129.5 Ų129.574%0.74175%0.754SS**  trans-49166.8166.857.90000114.4
788S26.9Very low24.9Very low86 Ų86132.5 Ų132.560%0.60175%0.752SS**  cis-177.617346.962.10000113.6
789H25.1Very low25Very low167 Ų167130 Ų13077%0.77375%0.747SS**  trans55129.3156.7-57.9-48.7000120
790R24.2Very low24.9Very low227 Ų227130.7 Ų130.786%0.85775%0.751SS**  cis96.1143.838.1-166.4-168.4-146.4-136.88.1112.4
791V26Very low25Very low124 Ų124136.4 Ų136.475%0.75276%0.757SS**  trans95.3147.6169.7-1730000115.3
792T23.8Very low25.5Very low107 Ų107134.6 Ų134.666%0.65675%0.753SS**  cis-178.6157-45.7-68.10000106.2
793L24.9Very low25.5Very low171 Ų171135.1 Ų135.190%0.89575%0.75SS**  trans67.8155.6-177.4-55.5108.1000112.8
794G22.2Very low25.7Very low75 Ų75136 Ų13677%0.77376%0.76SS**  cis160.6170.26.800000106.2
795S25.7Very low25.9Very low100 Ų100131.7 Ų131.770%0.69976%0.755SS**  cis-170.4157.4-0.31710000108.2
796T23.5Very low26Very low134 Ų134133.5 Ų133.582%0.82275%0.751SS**  trans61.2152.6154.737.10000121.4
797G25.3Very low26.2Very low69 Ų69134.4 Ų134.471%0.71175%0.752SS**  trans114.563.9168.600000115.5
798D25.5Very low26.2Very low140 Ų140133.9 Ų133.975%0.74975%0.749SS**  70.6133.771.8-99.3-44.2000117.3
799L28.1Very low26.3Very low146 Ų146135.6 Ų135.676%0.76476%0.755SS**  trans68.2149.2156.8-62.9167.6000118.1
800L26.5Very low26.3Very low156 Ų156139 Ų13982%0.81776%0.762SS**  cis-135.2161.49.5-98.7112.2000113.8
801W27.9Very low26.3Very low225 Ų225137.8 Ų137.885%0.85276%0.762SS**  trans-113.4149.2165-148.1-15.4000109.1
802P34.2Very low26.3Very low109 Ų109135.3 Ų135.371%0.70876%0.762SS**  trans-115.1138135.6-7.928.1000110.4
803K25.1Very low26.3Very low179 Ų179136.7 Ų136.778%0.77877%0.77SS**  cis59.8141.740.4-69-171.1170.4-179.80112.8
804T26.9Very low26.1Very low122 Ų122134.1 Ų134.175%0.74877%0.765SS**  cis-152.4177.416.9-18.40000108
805V28.2Very low26.2Very low107 Ų107138.9 Ų138.965%0.64877%0.772SS**  cis-163.5-167.71163.40000107
806E26.4Very low26.3Very low146 Ų146142.3 Ų142.368%0.68278%0.777SS**  cis-161.2138.27.8-162.7122.4-120.500113.8
807T28.3Very low26.3Very low126 Ų126144.7 Ų144.777%0.77378%0.779SS**  trans62.9159.515156.50000121.5
808S26.3Very low26.4Very low95 Ų95149.5 Ų149.566%0.66479%0.785SS**  cis-145.4139.18.6890000111.7
809V28.9Very low26.3Very low122 Ų122149.8 Ų149.874%0.73979%0.792SS**  77.5138.497.9172.30000114.3
810W25.3Very low26.3Very low239 Ų239153.9 Ų153.991%0.90580%0.797SS**  cis-135.7-103.914.7-148-4.9000118.1
811K24.1Very low27Very low201 Ų201151 Ų15187%0.87479%0.787SS**  trans-163.3160.3-164.2-91.5-172.6176.1-178.70115
812G24.8Very low27Very low72 Ų72148.2 Ų148.274%0.74278%0.784SS**  trans129.3118.8162.400000112.7
813V24.2Very low26.7Very low136 Ų136151.2 Ų151.282%0.82479%0.789SS**  cis105.5108.426.51760000113.4
814C21.7Very low26.8Very low118 Ų118149 Ų14980%0.79779%0.785SS**  trans48.2123.6158-64.30000122.3
815L24.4Very low27Very low174 Ų174148.6 Ų148.691%0.91178%0.783SS**  -165.3167.9111.5-107.7168.6000112.6
816Q27Very low27.1Very low172 Ų172151 Ų15180%0.80479%0.787SS**  trans-154.6124.3-173.7170.5-171.9-1100110.8
817E24.3Very low27.2Very low184 Ų184149.6 Ų149.686%0.8678%0.784SS**  trans-176.5142.1159.5-103.7158.7174.900106.5
818M25.7Very low27.2Very low170 Ų170150.6 Ų150.684%0.83779%0.785SS**  cis95.3103.618.3-165174.6-153.400115.3
819T23.6Very low27.3Very low147 Ų147152 Ų15290%0.90279%0.789SS**  trans-154.2142.8159.96.80000114
820R28.6Very low27.4Very low232 Ų232150.9 Ų150.988%0.87579%0.787SS**  trans-139169.9162.6-120.6-178.5179.9162.6-0.9104.7
821P42.3Very low27.5Very low94 Ų94144.1 Ų144.161%0.6178%0.776SS**  cis-97.6-14036.97.316.1000112.1
822E27.3Very low27.7Very low168 Ų168142.6 Ų142.679%0.78578%0.776SS**  cis-138.8167.513.2-69.7147.4-159.300107.9
823E27.6Very low28Very low171 Ų171145.9 Ų145.980%0.79978%0.777SS**  cis68.3129.238.4-70.9173.2166.600112.8
824D26.9Very low28.3Very low133 Ų133147 Ų14771%0.71178%0.778SS**  cis-148.2171.122.9-145.2-26.6000114.4
825T30.5Very low28.5Very low113 Ų113149.3 Ų149.369%0.69378%0.777SS**  trans-2165.2156.4420000123.4
826E31.4Very low29Very low158 Ų158149.4 Ų149.474%0.73877%0.772SS**  cis-159.1157.412.4-134.3-170.7145.700116.8
827N28.1Very low29Very low116 Ų116147.8 Ų147.862%0.6277%0.769SS**  trans11.4129.7149.8-66.3-33000125.3
828N28.1Very low29.4Very low148 Ų148146.5 Ų146.579%0.79176%0.763SS**  173.3130.4116.6-87.3-48.8000110.3
829V29.8Very low29.4Very low125 Ų125149.4 Ų149.476%0.75877%0.765SS**  71.4121.357.6178.50000111.2
830S29.6Very low29.6Very low97 Ų97150.8 Ų150.868%0.67876%0.761SS**  cis-163.71635.6480000113.3
831S28.3Very low29.5Very low98 Ų98144 Ų14469%0.68576%0.755SS**  trans27.9141.2147.265.40000121.3
832L28.6Very low28.8Very low168 Ų168146 Ų14688%0.8876%0.76SS**  -165.5-175.960-129.6136000112.4
833D30.3Very low28.7Very low142 Ų142145.5 Ų145.576%0.75976%0.758SS**  trans-107.3179.7-165.4-141-34.6000114.3
834L29.5Very low28.7Very low160 Ų160142.7 Ų142.784%0.83876%0.756SS**  trans77155.5179.1-59.1160.7000115.1
835Q27.6Very low28.7Very low165 Ų165143.4 Ų143.477%0.77176%0.76SS**  cis-146.2158.621.7-170.8175.7-12.700113.5
836Q34.8Very low28.5Very low176 Ų176144.5 Ų144.582%0.82276%0.762SS**  trans-124.6146.8171.1171.7-178.1-15.600109.4
837D26.9Very low28.3Very low138 Ų138142.2 Ų142.274%0.73876%0.759SS**  trans-154.9168.5170.5-145-20.7000113.8
838Q32.4Very low28Very low158 Ų158142 Ų14274%0.73877%0.765SS**  trans-126.2158.1-171.8-60.9177.1-101.600114
839R25.8Very low27.8Very low230 Ų230140.6 Ų140.687%0.86877%0.767SS**  trans178.6141.7146.1-103.6157.7-167-151.21.8109.3
840E26.8Very low27.6Very low176 Ų176139.8 Ų139.882%0.82277%0.767SS**  cis63.3120.941.9-63.9-171.6156.500113.9
841A26.9Very low28.1Very low91 Ų91140 Ų14075%0.75277%0.766SS**  cis-150-140.8-6.500000108.1
842L26.9Very low27.9Very low135 Ų135144.2 Ų144.271%0.70777%0.773SS**  cis-163.5148.26.7-164.268.8000110.8
843E26.4Very low27.6Very low158 Ų158141.8 Ų141.874%0.73877%0.769SS**  trans54.2148.1150.6-81.4162.9-161.900126.6
844S27.8Very low27.4Very low111 Ų111139.5 Ų139.578%0.77677%0.771SS**  trans87.6144.3146.373.70000121.7
845D26.8Very low27.1Very low148 Ų148143.1 Ų143.179%0.79177%0.773SS**  cis-163.1179.7-43.7-139-34.2000110.8
846D26.1Very low27Very low137 Ų137141.2 Ų141.273%0.73377%0.773SS**  trans68.3149.5159.8-83.7-35.8000119.9
847T26Very low26.6Very low109 Ų109141.8 Ų141.867%0.66977%0.773SS**  cis-167.7150.8-29.5-112.30000109.9
848C22.5Very low26.5Very low111 Ų111143.2 Ų143.275%0.7578%0.78SS**  trans25.9138163.8-65.10000121.1
849S23.8Very low26.3Very low120 Ų120143.2 Ų143.284%0.83979%0.785SS**  -176.217173.5-64.30000114.1
850S25.1Very low26.3Very low107 Ų107136.2 Ų136.275%0.74878%0.784SS**  trans-137.9-174.8163.869.70000108.5
851P39.8Very low26.3Very low103 Ų103131 Ų13167%0.66978%0.778SS**  cis-141.7-162.5425.43.3000115.7
852F24.6Very low26.3Very low186 Ų186137.5 Ų137.582%0.81678%0.784SS**  trans88.5112.1155.7-83.1-73.4000124.6
853S23.6Very low26.3Very low116 Ų116140.4 Ų140.481%0.81179%0.791SS**  trans69.3159.4144.181.90000118.9
854A24.6Very low26.9Very low95 Ų95138.7 Ų138.779%0.78579%0.794SS**  cis-148.7-164.43.800000112.6
855R24.2Very low27Very low235 Ų235142.6 Ų142.689%0.88780%0.8SS**  trans-59.3159.8178-64172.9173.9161.6-3.8113
856T25.8Very low27.1Very low125 Ų125142.6 Ų142.677%0.76781%0.805SS**  -177.3163.374-56.80000112.7
857F25.1Very low27.2Very low189 Ų189140.6 Ų140.683%0.82981%0.807SS**  trans-43.9153.7176.1-64.2-100.8000118
858L26.4Very low27.4Very low167 Ų167140.5 Ų140.587%0.87481%0.811SS**  -171170.3109.1-105.9168.5000115.1
859N27Very low27.9Very low159 Ų159143.5 Ų143.585%0.8582%0.819SS**  trans-82.7158.3-176.4-71.4-23.6000113.8
860G26.5Very low28.2Very low83 Ų83145.1 Ų145.186%0.85682%0.818SS**  trans-169.6128.2161.500000112.5
861G25.4Very low28.8Very low66 Ų66146.1 Ų146.168%0.6882%0.819SS**  trans-157166.3170.700000109.7
862Y27.7Very low28.6Very low228 Ų228148.8 Ų148.889%0.89483%0.828SS**  trans-166.2145.9164.6-111.5-74.3000111.1
863F26.6Very low29.2Very low195 Ų195150 Ų15086%0.85585%0.851SS**  trans-133.4145.8163-102.1-94.8000107.8
864P40.3Very low29.5Very low123 Ų123151.8 Ų151.880%0.79985%0.853SS**PPolyproline II helixtrans-80.8164.5-17432.5-35.8000114
865Q29Very low29.7Very low193 Ų193154.7 Ų154.790%0.90286%0.857SS**PPolyproline II helixtrans-90.3162.5-171.4-63.4164.8-5700113.6
866V28.6Very low30Very low147 Ų147150.3 Ų150.389%0.89186%0.855SS**PPolyproline II helixtrans-99.2141.4162.31770000108.4
867A29.5Very low30.3Very low95 Ų95151.8 Ų151.879%0.78586%0.861SS**  trans-105141.9177.400000111.8
868S29.2Very low30.6Very low107 Ų107149.4 Ų149.475%0.74886%0.863SS**  trans-87.2159.3167.449.10000111.3
869L32.9Very low30.9Very low174 Ų174148.3 Ų148.391%0.91186%0.862SS**  trans-127.3128.1166.8-91.2165.4000108.4
870D31.4Very low31.2Very low155 Ų155147.5 Ų147.583%0.82986%0.863SS**  trans-81.6166.8178.4-76-59.5000112.6
871V35.8Very low31.5Very low127 Ų127152.5 Ų152.577%0.7786%0.863SS**  trans-106.6139.2177.7172.90000109.3
872D37.5Very low32Very low159 Ų159159.7 Ų159.785%0.8588%0.878SS**  trans-16190.3155.3-120.4-12.4000111.6
873T35.8Very low32.4Very low213 Ų213153.5 Ų153.5100%1.30788%0.877SS**  trans-179.10143.7160000112.1

Retrieved 873 of 873 residues in 1234.9 ms (Link to these results)