A0A087YLR2_POEFO Loading...

Small ribosomal subunit protein uS12m

AlphaFold DB (A0A3B3U269), UniProt , Accession A0A087YLR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 143 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
1M43Very low52.1Low232 Ų232158.2 Ų158.2100%1.14384%0.838SS**  074.60-59.8166.181.400106.5
2S43.6Very low51.9Low105 Ų105156.3 Ų156.373%0.73482%0.821SS**  64.5112.796.660.20000114
3S52.8Low51.7Low106 Ų106155.9 Ų155.974%0.74182%0.815SS**  trans64109.2145.162.10000119.3
4L54Low51.5Low166 Ų166155.4 Ų155.487%0.86981%0.813SS**  trans-173.943.4133.1-102.2148.8000113
5W54.2Low51.4Low271 Ų271153.5 Ų153.5100%1.02780%0.802SS**  trans-118.358.8170.6-93.722.2000111.1
6S57.5Low51.1Low97 Ų97152.3 Ų152.368%0.67879%0.79SS**  trans-141.6144.8156.586.10000107.4
7L56.7Low50.9Low154 Ų154148.4 Ų148.481%0.80679%0.786SS**  trans100.246.3-172.7-62.9146.3000117.3
8R54.3Low50.9Low250 Ų250147.1 Ų147.194%0.94379%0.785SS**SBendtrans-135.621.5158-92.1-163.2179.4-153.80.4117.8
9P52.3Low50.7Low120 Ų120150.2 Ų150.278%0.77978%0.784SS**SBendtrans-134.767.2158.939.3-22.7000111.5
10A52.9Low50.7Low81 Ų81149.6 Ų149.667%0.66979%0.787SS**SBendtrans-141.6-3.7167.400000113.6
11L51.6Low50.5Low158 Ų158147.1 Ų147.183%0.82778%0.782SS**SBendtrans-112.822178.8-152.578.8000113.2
12E49.9Very low50.8Low136 Ų136140.1 Ų140.164%0.63676%0.756SS**SBendtrans-12516.7172-89.3-73.2155.700111.2
13M48.9Very low51.1Low151 Ų151140.2 Ų140.274%0.74476%0.757SS**SBendtrans-121.522.4177.2-71.4-76.3103.400112.3
14L49.7Very low51Low149 Ų149145.8 Ų145.878%0.7876%0.762SS**SBendtrans-125.63.6175.7-141.3118.3000114.5
15I49.7Very low50.9Low127 Ų127143.7 Ų143.765%0.65176%0.756SS**SBendtrans-110.1-5.3175-60.9177.6000112.2
16H46.3Very low51Low133 Ų133133.1 Ų133.162%0.61673%0.731SS**SBendtrans-104.614176-75.7160.7000115.2
17A48.3Very low50.8Low86 Ų86133.9 Ų133.971%0.71173%0.734SS**SBendtrans-100.98.9178.400000115
18T50.2Low50.6Low126 Ų126133.8 Ų133.877%0.77373%0.733SS**  trans-12626.3179.342.60000114.3
19R48Very low50.6Low205 Ų205129.4 Ų129.477%0.77473%0.727SS**  trans-108.353.8165-62.9-167.2-164-177.67.4112.1
20V51.1Low50.7Low138 Ų138128.5 Ų128.584%0.83672%0.724SS**  trans-119.665.4149.4-172.20000106.4S22V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 3.34Å; V20-S22 VanDerWaalsContact O-N 3.14Å
21S45.6Very low50.7Low98 Ų98135 Ų13569%0.68573%0.731SS**  trans-70.4100.8153.346.70000105.5S23S21-S23 PolarHBondContact O-N 3.43Å
22S50.1Low51.2Low86 Ų86133.4 Ų133.460%0.60173%0.728SS**  trans-58.592.4159.650.60000106.9V20 W24V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 3.34Å; V20-S22 VanDerWaalsContact O-N 3.14Å; S22-W24 PolarHBondContact O-N 3.41Å
23S49.4Very low52.4Low106 Ų106134.6 Ų134.674%0.74174%0.736SS**  trans-7431.3172.155.40000111.8S21S21-S23 PolarHBondContact O-N 3.43Å
24W50.8Low54.2Low223 Ų223129.7 Ų129.785%0.84572%0.719SS**  trans-105.860.4166-104.640.2000109S22S22-W24 PolarHBondContact O-N 3.41Å
25T50.9Low56.1Low123 Ų123126 Ų12676%0.75570%0.703SS**  trans-122.540.3160.447.10000109.4
26G56.5Low58.1Low48 Ų48126.8 Ų126.850%0.49571%0.708SS.*SBendtrans-72.6132154.600000107.8L28G26-L28 PolarHBondContact O-N 3.18Å
27P53.3Low60.4Low114 Ų114126.3 Ų126.374%0.7471%0.71SS**  trans-64.3104.1176.724.5-29.8000108.6L29P27-L29 PolarHBondContact O-N 3.26Å
28L52.8Low62.5Low151 Ų151126.2 Ų126.279%0.79169%0.694SS**THydrogen-bonded Turntrans-63.712.7175.4-73.5165.2000113.5G26G26-L28 PolarHBondContact O-N 3.18Å
29L54.8Low64.6Low158 Ų158125.2 Ų125.283%0.82768%0.683SS**THydrogen-bonded Turntrans-127.64.2-168.6-83.5161.5000115.1P27 R31P27-L29 PolarHBondContact O-N 3.26Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 3.33Å
30S52.8Low66.7Low102 Ų102123.2 Ų123.271%0.71368%0.682SS**  trans-8179.4163.8179.80000109.4T32S30-T32 PolarHBondContact O-N 3.29Å
31R54.8Low68.7Low217 Ų217127 Ų12782%0.81968%0.681SS**  trans-5787.9161.9-84.8172.977.4-161.86.6108.9L29 M33L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 3.33Å; R31-M33 PolarHBondContact O-N 2.79Å
32T60.2Low71Confident124 Ų124129.6 Ų129.676%0.76168%0.682SS**  trans23.563.4141.552.70000116.9S30S30-T32 PolarHBondContact O-N 3.29Å
33M76.6Confident72.9Confident162 Ų162127.6 Ų127.680%0.79868%0.675SS**PPolyproline II helixtrans-93.7131.6160.5-70.2-68.693.700108.7R31 T35R31-M33 PolarHBondContact O-N 2.79Å; M33-T35 PolarHBondContact O-N 2.78Å
34A85.3Confident75Confident48 Ų48131.9 Ų131.940%0.39768%0.68SS.*PPolyproline II helixtrans-62.3136.3169.500000108.7Q38 M39A34-Q38 HydrophobicContact CB-CB 4.47Å; A34-M39 HydrophobicContact CB-CG 3.91Å
35T91.5Very high76.9Confident70 Ų70127.3 Ų127.343%0.42968%0.68SS.*PPolyproline II helixtrans-69.2154.4178.9700000110.5M33 N37 Q38 M39M33-T35 PolarHBondContact O-N 2.78Å; T35-N37 PolarHBondContact O-N 3.33Å; T35-Q38 WeakPolarHBondContact O-CA 3.47Å; T35-Q38 WeakPolarHBondContact O-CB 3.43Å; T35-Q38 PolarHBondContact O-N 2.84Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.3Å; T35-Q38 PolarHBondContact OG1-N 2.72Å; T35-M39 PolarHBondContact O-N 3.15Å
36L91.3Very high78.9Confident144 Ų144131 Ų13175%0.75469%0.685SS**Hα-helixtrans-54.7-37.2176.4-67.7176.4000112.1M39 H40L36-M39 PolarHBondContact O-N 2.72Å; L36-H40 VanDerWaalsContact O-CB 3.24Å; L36-H40 WeakPolarHBondContact O-CB 3.36Å; L36-H40 PolarHBondContact O-N 2.83Å
37N94.5Very high80.8Confident123 Ų123135 Ų13566%0.65870%0.7SS**Hα-helixtrans-68.2-36.7174.9-69.4-15.7000112.6T35 R41T35-N37 PolarHBondContact O-N 3.33Å; N37-R41 WeakPolarHBondContact O-CB 3.38Å; N37-R41 WeakPolarHBondContact O-CG 3.34Å; N37-R41 PolarHBondContact O-N 2.82Å
38Q92.9Very high82.7Confident84 Ų84134.5 Ų134.539%0.39370%0.696SS.*Hα-helixtrans-65.4-45.2173.3-73.8164.70.900110.8A34 T35 R41 Q42A34-Q38 HydrophobicContact CB-CB 4.47Å; T35-Q38 WeakPolarHBondContact O-CA 3.47Å; T35-Q38 WeakPolarHBondContact O-CB 3.43Å; T35-Q38 PolarHBondContact O-N 2.84Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.3Å; T35-Q38 PolarHBondContact OG1-N 2.72Å; Q38-R41 PolarHBondContact O-N 2.86Å; Q38-Q42 VanDerWaalsContact O-CB 3.3Å; Q38-Q42 WeakPolarHBondContact O-CB 3.1Å; Q38-Q42 VanDerWaalsContact O-CG 3.25Å; Q38-Q42 WeakPolarHBondContact O-CG 3.22Å; Q38-Q42 PolarHBondContact O-N 2.84Å
39M92.9Very high84.6Confident106 Ų106133.3 Ų133.352%0.52270%0.698SS.*Hα-helixtrans-64.5-40.4176.4-67.6177.762.700112.1A34 T35 L36 Q42 G43A34-M39 HydrophobicContact CB-CG 3.91Å; T35-M39 PolarHBondContact O-N 3.15Å; L36-M39 PolarHBondContact O-N 2.72Å; M39-Q42 PolarHBondContact O-N 3.48Å; M39-G43 WeakPolarHBondContact O-CA 3.19Å; M39-G43 PolarHBondContact O-N 2.92Å
40H93.4Very high86.5Confident163 Ų163135.5 Ų135.576%0.75570%0.7SS**Hα-helixtrans-64-42.7176.4-176.367.9000111.6L36L36-H40 VanDerWaalsContact O-CB 3.24Å; L36-H40 WeakPolarHBondContact O-CB 3.36Å; L36-H40 PolarHBondContact O-N 2.83Å
41R93.3Very high88.4Confident218 Ų218135.3 Ų135.382%0.82371%0.705SS**Hα-helixtrans-68.6-39.1176.4-72.6173.968.6-167.12113.4N37 Q38N37-R41 WeakPolarHBondContact O-CB 3.38Å; N37-R41 WeakPolarHBondContact O-CG 3.34Å; N37-R41 PolarHBondContact O-N 2.82Å; Q38-R41 PolarHBondContact O-N 2.86Å
42Q91.9Very high90.2Very high151 Ų151131.1 Ų131.171%0.70670%0.699SS**Hα-helixtrans-82.5-26.4-177.9-69.71774.600112.6Q38 M39Q38-Q42 VanDerWaalsContact O-CB 3.3Å; Q38-Q42 WeakPolarHBondContact O-CB 3.1Å; Q38-Q42 VanDerWaalsContact O-CG 3.25Å; Q38-Q42 WeakPolarHBondContact O-CG 3.22Å; Q38-Q42 PolarHBondContact O-N 2.84Å; M39-Q42 PolarHBondContact O-N 3.48Å
43G91.9Very high91.8Very high45 Ų45127.5 Ų127.546%0.46469%0.686SS.*  trans65.3-166.6-174.700000112.6M39M39-G43 WeakPolarHBondContact O-CA 3.19Å; M39-G43 PolarHBondContact O-N 2.92Å
44K93.1Very high92.5Very high195 Ų195121.4 Ų121.485%0.84866%0.661SS**SBendtrans-68133.5175.5-66.6-179.8179.5179.80109.5K46K44-K46 PolarHBondContact O-N 2.89Å
45P91.2Very high93Very high127 Ų127119.9 Ų119.983%0.82565%0.647SS**PPolyproline II helixtrans-60.7125.6177.625.1-33.1000109.6
46K92.9Very high93.2Very high201 Ų201120.3 Ų120.387%0.87464%0.643SS**PPolyproline II helixtrans-74.6128.7177.7-65.7-179.7-177.9177.30109K44K44-K46 PolarHBondContact O-N 2.89Å
47V95.1Very high93.3Very high133 Ų133116.3 Ų116.381%0.80664%0.636SS**PPolyproline II helixtrans-66.5127.2173-176.60000108
48P93.7Very high93.4Very high102 Ų102116.8 Ų116.866%0.66263%0.629SS**PPolyproline II helixtrans-62.4145.5177.926.1-34000110.3
49P93.4Very high93.5Very high126 Ų126117.4 Ų117.482%0.81864%0.641SS**PPolyproline II helixtrans-62.6147.6178.527.3-34.4000110.9A51P49-A51 PolarHBondContact O-N 2.89Å
50K92.9Very high93.8Very high204 Ų204116.8 Ų116.889%0.88764%0.636SS**PPolyproline II helixtrans-67.2128.6178.3-64.9179.4-177.4176.30110
51A92.8Very high94Very high99 Ų99109.2 Ų109.282%0.81860%0.602SS**PPolyproline II helixtrans-66.6144.317500000111.4P49P49-A51 PolarHBondContact O-N 2.89Å
52L93.6Very high94.2Very high129 Ų129103.9 Ų103.968%0.67558%0.584SS**PPolyproline II helixtrans-69.7142.2177.1-61.7177.1000111.2
53G92.8Very high94.5Very high48 Ų4896.8 Ų96.850%0.49555%0.551SS.*  trans-73.9-175.7175.400000113.8T55 F56G53-T55 PolarHBondContact O-N 3.11Å; G53-T55 VanDerWaalsContact O-N 3.16Å; G53-F56 PolarHBondContact O-N 3.45Å
54A93.2Very high94.8Very high33 Ų3397.3 Ų97.327%0.27355%0.546SS..THydrogen-bonded Turntrans-63-21.8-179.300000114.1F56 K125 L126A54-F56 WeakPolarHBondContact O-CE2 3.44Å; A54-K125 HydrophobicContact CB-CB 3.65Å; A54-K125 HydrophobicContact CB-CD 4.28Å; A54-L126 HydrophobicContact CB-CD2 3.72Å; A54-L126 HydrophobicContact CB-CG 4.1Å
55T95.1Very high95.1Very high17 Ų1788.1 Ų88.110%0.10451%0.506CS..THydrogen-bonded Turntrans-93.49.7174.953.60000113.3G53 G57 R58 L61 L126G53-T55 PolarHBondContact O-N 3.11Å; G53-T55 VanDerWaalsContact O-N 3.16Å; T55-G57 VanDerWaalsContact C-N 3.29Å; T55-G57 PolarHBondContact O-N 2.68Å; T55-R58 WeakPolarHBondContact CB-O 3.2Å; T55-R58 WeakPolarHBondContact O-CB 3.39Å; T55-R58 PolarHBondContact O-N 2.85Å; T55-R58 VanDerWaalsContact O-N 3.09Å; T55-R58 PolarHBondContact OG1-O 3Å; T55-L61 HydrophobicContact CG2-CD1 4.49Å; T55-L126 HydrophobicContact CG2-CD2 3.66Å
56F94.9Very high95.4Very high78 Ų7885 Ų8534%0.34248%0.481SS..THydrogen-bonded Turntrans57.339.4178.1-54-83.9000113.2G53 A54 R58 L61 N90 K92G53-F56 PolarHBondContact O-N 3.45Å; A54-F56 WeakPolarHBondContact O-CE2 3.44Å; F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 PolarHBondContact O-N 2.85Å; F56-L61 HydrophobicContact CD2-CD1 4.46Å; F56-N90 WeakPolarHBondContact CD2-ND2 3.11Å; F56-N90 WeakPolarHBondContact CE2-ND2 3.37Å; F56-K92 HydrophobicContact CE1-CD 4.02Å; F56-K92 HydrophobicContact CE2-CD 4Å; F56-K92 HydrophobicContact CZ-CD 3.38Å
57G94.3Very high95.7Very high60 Ų6081.4 Ų81.462%0.61947%0.466SS*.THydrogen-bonded Turntrans79.54.2-179.100000114.9T55T55-G57 VanDerWaalsContact C-N 3.29Å; T55-G57 PolarHBondContact O-N 2.68Å
58R95.9Very high95.8Very high133 Ų13377.5 Ų77.550%0.50244%0.442SS..  trans-98.2147.4179.3-57.4170.681.4-174.413.6110.6T55 F56 L61T55-R58 WeakPolarHBondContact CB-O 3.2Å; T55-R58 WeakPolarHBondContact O-CB 3.39Å; T55-R58 PolarHBondContact O-N 2.85Å; T55-R58 VanDerWaalsContact O-N 3.09Å; T55-R58 PolarHBondContact OG1-O 3Å; F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 PolarHBondContact O-N 2.85Å; R58-L61 HydrophobicContact CB-CD2 4.29Å
59P96.4Very high96Very high98 Ų9874.8 Ų74.864%0.63642%0.422SS*.SBendtrans-65.4-48.6178.2-2435.2000112.8
60Q97.4Very high96.2Very high92 Ų9273.1 Ų73.143%0.4341%0.405SS..EExtended strand (participates in β ladder)trans-138.1161.7176.4-55.285.317.100111.7L112 V113 Q114Q60-L112 HydrophobicContact CB-CD1 3.77Å; Q60-L112 HydrophobicContact CB-CD2 4.28Å; Q60-L112 HydrophobicContact CB-CG 4.01Å; Q60-L112 HydrophobicContact CG-CD2 4.27Å; Q60-L112 HydrophobicContact CG-CG 4.39Å; Q60-V113 CarbonylContact C-O 3.54Å; Q60-V113 WeakPolarHBondContact CA-O 3.49Å; Q60-V113 WeakPolarHBondContact CB-O 3.22Å; Q60-Q114 HydrophobicContact CG-CB 3.96Å
61L97.8Very high96.4Very high5 Ų567.6 Ų67.63%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-133.1136.5177.9-68.3174.3000109.9T55 F56 R58 L88 V113T55-L61 HydrophobicContact CG2-CD1 4.49Å; F56-L61 HydrophobicContact CD2-CD1 4.46Å; R58-L61 HydrophobicContact CB-CD2 4.29Å; L61-L88 HydrophobicContact CB-CD2 4.28Å; L61-L88 HydrophobicContact CD1-CD1 4.01Å; L61-L88 HydrophobicContact CD1-CD2 4.3Å; L61-V113 PolarHBondContact N-O 3.47Å; L61-V113 PolarHBondContact O-N 3.14Å
62K98.3Very high96.6Very high105 Ų10569.6 Ų69.646%0.45737%0.369SS..EExtended strand (participates in β ladder)trans-72.1141.2165.4-170.4179.5-176-176.20109S89 V110 Y133K62-S89 WeakPolarHBondContact O-CB 3.42Å; K62-S89 PolarHBondContact O-N 2.96Å; K62-S89 PolarHBondContact O-OG 2.81Å; K62-V110 HydrophobicContact CD-CG1 4.22Å; K62-V110 HydrophobicContact CG-CG1 3.93Å; K62-Y133 HydrophobicContact CG-CE2 4.27Å
63A98.4Very high96.8Very high2 Ų264.2 Ų64.22%0.01734%0.342CS..EExtended strand (participates in β ladder)trans-143.7154.5178.400000111.7V86 R87 L88 V110 V111 V113A63-V86 HydrophobicContact CB-CB 3.97Å; A63-V86 HydrophobicContact CB-CG2 3.89Å; A63-R87 CarbonylContact C-O 3.41Å; A63-R87 VanDerWaalsContact CA-O 3.22Å; A63-R87 WeakPolarHBondContact CA-O 3.46Å; A63-R87 WeakPolarHBondContact CB-O 3.5Å; A63-L88 HydrophobicContact CB-CD2 3.9Å; A63-V110 WeakPolarHBondContact O-CA 3.46Å; A63-V111 HydrophobicContact CB-CG2 4.23Å; A63-V111 PolarHBondContact N-O 3.16Å; A63-V111 PolarHBondContact O-N 2.94Å; A63-V113 HydrophobicContact CB-CG2 3.76Å
64V98.6Very high97Very high57 Ų5767.6 Ų67.635%0.34534%0.343SS..EExtended strand (participates in β ladder)trans-110.2134.6171.6-179.10000108.4V86 R87 V110V64-V86 CarbonylContact O-C 3.6Å; V64-V86 VanDerWaalsContact O-CA 3.26Å; V64-V86 WeakPolarHBondContact O-CA 3.02Å; V64-V86 WeakPolarHBondContact O-CB 3.47Å; V64-R87 PolarHBondContact N-O 2.69Å; V64-R87 PolarHBondContact O-N 2.98Å; V64-V110 HydrophobicContact CG2-CG2 4.45Å
65I98.5Very high97.1Very high1 Ų175.5 Ų75.51%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-75.6127.2178.4-63176.1000109.5T68 A84 V86 L105 Q106 H108 N109 V111I65-T68 HydrophobicContact CG2-CG2 4.25Å; I65-A84 HydrophobicContact CD1-CB 4.45Å; I65-A84 HydrophobicContact CG1-CB 4.41Å; I65-A84 HydrophobicContact CG2-CB 4.23Å; I65-V86 HydrophobicContact CG1-CG1 3.96Å; I65-L105 HydrophobicContact CD1-CB 3.71Å; I65-L105 HydrophobicContact CD1-CD1 3.94Å; I65-L105 HydrophobicContact CD1-CD2 4.08Å; I65-L105 HydrophobicContact CD1-CG 4.12Å; I65-Q106 WeakPolarHBondContact CG2-O 3.47Å; I65-H108 PolarHBondContact O-N 2.83Å; I65-N109 HydrophobicContact CD1-CB 4.24Å; I65-N109 PolarHBondContact N-O 3.09Å; I65-V111 HydrophobicContact CD1-CG1 3.85Å; I65-V111 HydrophobicContact CD1-CG2 4.47Å; I65-V111 HydrophobicContact CG1-CG1 4.34Å; I65-V111 HydrophobicContact CG1-CG2 4.15Å
66L98.3Very high97.2Very high61 Ų6180 Ų8032%0.31940%0.4SS..EExtended strand (participates in β ladder)trans-89.7-44171.3-58.6-177.5000110.8H85 R87 E93 E107L66-H85 PolarHBondContact N-O 2.87Å; L66-R87 HydrophobicContact CD1-CB 4.25Å; L66-R87 HydrophobicContact CD2-CB 4.15Å; L66-R87 HydrophobicContact CG-CB 4.23Å; L66-E93 HydrophobicContact CD1-CG 4.1Å; L66-E107 WeakPolarHBondContact O-CG 3.32Å
67K98.1Very high97.3Very high126 Ų12679.8 Ų79.855%0.54840%0.403SS..EExtended strand (participates in β ladder)trans-156.3136.6-179.2-176.8171.5-177.7171.30111.9A84 H85K67-A84 CarbonylContact O-C 3.26Å; K67-A84 WeakPolarHBondContact O-CA 3.43Å; K67-H85 HydrophobicContact CB-CB 4.41Å; K67-H85 PolarHBondContact N-O 3.33Å; K67-H85 PolarHBondContact O-N 3.23Å
68T97.9Very high97.3Very high51 Ų5182.6 Ų82.631%0.31341%0.413SS..EExtended strand (participates in β ladder)trans-84135.3168.754.70000111I65 L105I65-T68 HydrophobicContact CG2-CG2 4.25Å; T68-L105 WeakPolarHBondContact CG2-O 3.41Å
69M97.3Very high97.4Very high46 Ų4677.9 Ų77.923%0.22740%0.402CS..EExtended strand (participates in β ladder)trans-145.6160.2-178.561174.7165.200113.1C83 H85 V95M69-C83 HydrophobicContact CG-CB 4.24Å; M69-C83 PolarHBondContact N-O 3.42Å; M69-C83 CarbonylContact O-C 3.53Å; M69-C83 WeakPolarHBondContact O-CA 3.21Å; M69-C83 PolarHBondContact O-N 3.49Å; M69-H85 HydrophobicContact CE-CB 4.08Å; M69-V95 HydrophobicContact CE-CB 4.04Å; M69-V95 HydrophobicContact CE-CG1 3.41Å; M69-V95 VanDerWaalsContact CE-CG1 3.41Å; M69-V95 HydrophobicContact CE-CG2 3.51Å
70I97.8Very high97.4Very high90 Ų9077.6 Ų77.646%0.46240%0.396SS..EExtended strand (participates in β ladder)trans-110.9130.1176.2-58176.4000108.2N80 R81 K82I70-N80 HydrophobicContact CG2-CB 3.61Å; I70-R81 WeakPolarHBondContact CA-O 3.46Å; I70-K82 HydrophobicContact CD1-CD 4.29Å; I70-K82 VanDerWaalsContact CD1-NZ 3.32Å; I70-K82 HydrophobicContact CG1-CD 4.01Å
71R97.4Very high97.4Very high88 Ų8877.3 Ų77.333%0.33239%0.39SS..EExtended strand (participates in β ladder)trans-116.2140.9175.6-68.3-170.1171.6-163.4-7.5111R81 L121R71-R81 PolarHBondContact N-O 2.92Å; R71-R81 WeakPolarHBondContact O-CB 3.43Å; R71-R81 PolarHBondContact O-N 3.11Å; R71-L121 HydrophobicContact CB-CD2 3.85Å
72K97.5Very high97.4Very high142 Ų14281.2 Ų81.262%0.61741%0.407SS*.PPolyproline II helixtrans-80.3139.2171.1-64.4-62.5-167.21700109.5A79 N80K72-A79 WeakPolarHBondContact CD-O 3.4Å; K72-N80 WeakPolarHBondContact CE-OD1 3.23Å; K72-N80 PolarHBondContact NZ-OD1 2.91Å
73P98.1Very high97.4Very high16 Ų1676.2 Ų76.210%0.10439%0.386CS..PPolyproline II helixtrans-69164.9174.132.5-37.2000111.4N77 A79 D120P73-N77 HydrophobicContact CB-CB 4.22Å; P73-N77 HydrophobicContact CG-CB 4.11Å; P73-N77 WeakPolarHBondContact CG-O 3.49Å; P73-A79 WeakPolarHBondContact CD-O 3.43Å; P73-A79 HydrophobicContact CG-CB 4.36Å; P73-D120 HydrophobicContact CB-CB 3.75Å
74K96.7Very high97.4Very high119 Ų11976.1 Ų76.152%0.51739%0.385SS..PPolyproline II helixtrans-65.9149165.969.3-178.7-179.8168.50110.5N77 Q119 D120K74-N77 PolarHBondContact O-N 2.91Å; K74-Q119 WeakPolarHBondContact CE-O 3.43Å; K74-D120 WeakPolarHBondContact CG-O 3.47Å; K74-D120 PolarHBondContact N-O 3.39Å
75K95.3Very high97.4Very high198 Ų19876.1 Ų76.186%0.86138%0.381SS*.THydrogen-bonded Turntrans-53.5138.5165.1-171.6176.2-178.8-178.60108.3
76P96.9Very high97.4Very high112 Ų11276 Ų7673%0.72738%0.38SS*.THydrogen-bonded Turncis-85-9.317.834.4-37.7000116
77N97Very high97.4Very high74 Ų7479.8 Ų79.840%0.39639%0.39SS..  trans-83.5150.8-171.3-61.5-24.8000110.9P73 K74 D120P73-N77 HydrophobicContact CB-CB 4.22Å; P73-N77 HydrophobicContact CG-CB 4.11Å; P73-N77 WeakPolarHBondContact CG-O 3.49Å; K74-N77 PolarHBondContact O-N 2.91Å; N77-D120 PolarHBondContact ND2-OD1 3.23Å
78S94.8Very high97.4Very high118 Ų11874.1 Ų74.183%0.82537%0.366SS*.  trans-133.5119.9172.8600000109.3
79A96.3Very high97.3Very high34 Ų3475.1 Ų75.128%0.28138%0.375SS..  trans-168171.5179.600000110.8K72 P73K72-A79 WeakPolarHBondContact CD-O 3.4Å; P73-A79 WeakPolarHBondContact CD-O 3.43Å; P73-A79 HydrophobicContact CG-CB 4.36Å
80N96.8Very high97.2Very high93 Ų9375.8 Ų75.850%0.49738%0.379SS..  trans-104.4100.9168-75.8-22.8000109.4I70 K72I70-N80 HydrophobicContact CG2-CB 3.61Å; K72-N80 WeakPolarHBondContact CE-OD1 3.23Å; K72-N80 PolarHBondContact NZ-OD1 2.91Å
81R97.6Very high97.2Very high85 Ų8573.3 Ų73.332%0.32138%0.377SS..EExtended strand (participates in β ladder)trans-87125.3178.2-59.9-61.7-168.8-174.20.1110.1I70 R71 C83 F97 D120 L121I70-R81 WeakPolarHBondContact CA-O 3.46Å; R71-R81 PolarHBondContact N-O 2.92Å; R71-R81 WeakPolarHBondContact O-CB 3.43Å; R71-R81 PolarHBondContact O-N 3.11Å; R81-C83 PolarHBondContact O-N 2.85Å; R81-F97 HydrophobicContact CB-CE2 4.3Å; R81-D120 IonicContact CZ-OD2 3.42Å; R81-D120 IonicContact NE-OD2 3.46Å; R81-D120 PolarHBondContact NE-OD2 2.93Å; R81-D120 IonicContact NH2-OD2 2.69Å; R81-D120 PolarHBondContact NH2-OD2 3.24Å; R81-L121 HydrophobicContact CB-CD1 3.82Å; R81-L121 HydrophobicContact CB-CD2 4.1Å; R81-L121 HydrophobicContact CB-CG 4.29Å; R81-L121 HydrophobicContact CG-CD1 4.24Å; R81-L121 HydrophobicContact CG-CD2 4.08Å; R81-L121 HydrophobicContact CG-CG 4.24Å
82K97.8Very high97.1Very high88 Ų8874.5 Ų74.538%0.38338%0.384SS..EExtended strand (participates in β ladder)trans-75.9122.2177.8-58.5-54.2-174.8171.90110I70 F97 I98I70-K82 HydrophobicContact CD1-CD 4.29Å; I70-K82 VanDerWaalsContact CD1-NZ 3.32Å; I70-K82 HydrophobicContact CG1-CD 4.01Å; K82-F97 WeakPolarHBondContact O-CD2 3.42Å; K82-I98 HydrophobicContact CB-CB 4.47Å; K82-I98 PolarHBondContact O-N 2.92Å; K82-I98 VanDerWaalsContact O-N 3.11Å
83C97.9Very high97.2Very high0 Ų073.1 Ų73.10%038%0.38CS..EExtended strand (participates in β ladder)trans-132.4165.9-178.4-57.90000110.3M69 R81 V95 V96 L121M69-C83 HydrophobicContact CG-CB 4.24Å; M69-C83 PolarHBondContact N-O 3.42Å; M69-C83 CarbonylContact O-C 3.53Å; M69-C83 WeakPolarHBondContact O-CA 3.21Å; M69-C83 PolarHBondContact O-N 3.49Å; R81-C83 PolarHBondContact O-N 2.85Å; C83-V95 HydrophobicContact CB-CG1 4.2Å; C83-V96 CarbonylContact C-O 3.59Å; C83-V96 VanDerWaalsContact CA-O 3.23Å; C83-V96 WeakPolarHBondContact CA-O 3.46Å; C83-V96 WeakPolarHBondContact CB-O 3.26Å; C83-L121 WeakPolarHBondContact SG-CD1 3.02Å
84A98.3Very high97.1Very high0 Ų073.5 Ų73.50%038%0.384CS..EExtended strand (participates in β ladder)trans-134.9145.6169.100000110.5I65 K67 V86 V95 V96 I98I65-A84 HydrophobicContact CD1-CB 4.45Å; I65-A84 HydrophobicContact CG1-CB 4.41Å; I65-A84 HydrophobicContact CG2-CB 4.23Å; K67-A84 CarbonylContact O-C 3.26Å; K67-A84 WeakPolarHBondContact O-CA 3.43Å; A84-V86 HydrophobicContact CB-CG1 4.01Å; A84-V95 WeakPolarHBondContact O-CA 3.45Å; A84-V96 HydrophobicContact CB-CG2 3.9Å; A84-V96 PolarHBondContact N-O 2.87Å; A84-V96 PolarHBondContact O-N 3.07Å; A84-I98 HydrophobicContact CB-CD1 4.19Å
85H98.3Very high97.2Very high56 Ų5668.8 Ų68.826%0.25937%0.366SS..EExtended strand (participates in β ladder)trans-87.1124.2164-156.9-71.2000107.6L66 K67 M69 E93L66-H85 PolarHBondContact N-O 2.87Å; K67-H85 HydrophobicContact CB-CB 4.41Å; K67-H85 PolarHBondContact N-O 3.33Å; K67-H85 PolarHBondContact O-N 3.23Å; M69-H85 HydrophobicContact CE-CB 4.08Å; H85-E93 IonicContact CE1-OE2 3.32Å; H85-E93 PolarHBondContact CE1-OE2 2.87Å; H85-E93 VanDerWaalsContact CE1-OE2 3.32Å
86V98.4Very high97.3Very high0 Ų059.4 Ų59.40%033%0.325CS..EExtended strand (participates in β ladder)trans-131.7149-173.6-520000111A63 V64 I65 A84 L88 E93 A94 V96A63-V86 HydrophobicContact CB-CB 3.97Å; A63-V86 HydrophobicContact CB-CG2 3.89Å; V64-V86 CarbonylContact O-C 3.6Å; V64-V86 VanDerWaalsContact O-CA 3.26Å; V64-V86 WeakPolarHBondContact O-CA 3.02Å; V64-V86 WeakPolarHBondContact O-CB 3.47Å; I65-V86 HydrophobicContact CG1-CG1 3.96Å; A84-V86 HydrophobicContact CB-CG1 4.01Å; V86-L88 HydrophobicContact CG2-CD2 4.07Å; V86-E93 VanDerWaalsContact O-CA 3.32Å; V86-E93 WeakPolarHBondContact O-CA 3.18Å; V86-A94 PolarHBondContact N-O 3.43Å; V86-A94 PolarHBondContact O-N 2.97Å; V86-V96 HydrophobicContact CG1-CG1 4.31Å; V86-V96 HydrophobicContact CG1-CG2 3.58Å; V86-V96 HydrophobicContact CG2-CG1 3.49Å; V86-V96 VanDerWaalsContact CG2-CG1 3.49Å; V86-V96 HydrophobicContact CG2-CG2 4.32Å
87R98.4Very high97.4Very high139 Ų13955.9 Ų55.953%0.52530%0.298SS..EExtended strand (participates in β ladder)trans-97.2115.1166.3-172.8168.9178167.8-1.7108.7A63 V64 L66 E93A63-R87 CarbonylContact C-O 3.41Å; A63-R87 VanDerWaalsContact CA-O 3.22Å; A63-R87 WeakPolarHBondContact CA-O 3.46Å; A63-R87 WeakPolarHBondContact CB-O 3.5Å; V64-R87 PolarHBondContact N-O 2.69Å; V64-R87 PolarHBondContact O-N 2.98Å; L66-R87 HydrophobicContact CD1-CB 4.25Å; L66-R87 HydrophobicContact CD2-CB 4.15Å; L66-R87 HydrophobicContact CG-CB 4.23Å; R87-E93 HydrophobicContact CG-CG 4.49Å
88L98Very high97.4Very high7 Ų752.4 Ų52.44%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-74157.1177.6-61.2173.8000110.1L61 A63 V86 N90 G91 K92 A94 V113 L126L61-L88 HydrophobicContact CB-CD2 4.28Å; L61-L88 HydrophobicContact CD1-CD1 4.01Å; L61-L88 HydrophobicContact CD1-CD2 4.3Å; A63-L88 HydrophobicContact CB-CD2 3.9Å; V86-L88 HydrophobicContact CG2-CD2 4.07Å; L88-N90 WeakPolarHBondContact CB-OD1 3.2Å; L88-N90 PolarHBondContact O-N 3.04Å; L88-G91 PolarHBondContact O-N 3.2Å; L88-K92 WeakPolarHBondContact CB-O 3.07Å; L88-K92 PolarHBondContact N-O 3.46Å; L88-A94 HydrophobicContact CD1-CB 4.15Å; L88-A94 HydrophobicContact CG-CB 4.47Å; L88-V113 HydrophobicContact CD2-CG2 4.49Å; L88-L126 HydrophobicContact CD1-CD1 4.08Å; L88-L126 HydrophobicContact CD2-CD1 4.25Å
89S97.4Very high97.5Very high73 Ų7348.4 Ų48.451%0.5125%0.251SS..THydrogen-bonded Turntrans-56.8-18.9175.147.50000115K62 G91K62-S89 WeakPolarHBondContact O-CB 3.42Å; K62-S89 PolarHBondContact O-N 2.96Å; K62-S89 PolarHBondContact O-OG 2.81Å; S89-G91 PolarHBondContact O-N 2.69Å
90N95.2Very high97.4Very high59 Ų5949.6 Ų49.632%0.31627%0.266SS..THydrogen-bonded Turntrans-83.85.6173.664.76.4000113.4F56 L88 K92F56-N90 WeakPolarHBondContact CD2-ND2 3.11Å; F56-N90 WeakPolarHBondContact CE2-ND2 3.37Å; L88-N90 WeakPolarHBondContact CB-OD1 3.2Å; L88-N90 PolarHBondContact O-N 3.04Å; N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.24Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 3.47Å
91G96.1Very high97.3Very high39 Ų3952.5 Ų52.540%0.40228%0.277SS..SBendtrans82.5-10.2-178.800000115L88 S89L88-G91 PolarHBondContact O-N 3.2Å; S89-G91 PolarHBondContact O-N 2.69Å
92K96.9Very high97Very high113 Ų11351 Ų5149%0.49129%0.288SS..  trans-81.1144.9179.4-65.3-178.6176.8-178.70111.1F56 L88 N90F56-K92 HydrophobicContact CE1-CD 4.02Å; F56-K92 HydrophobicContact CE2-CD 4Å; F56-K92 HydrophobicContact CZ-CD 3.38Å; L88-K92 WeakPolarHBondContact CB-O 3.07Å; L88-K92 PolarHBondContact N-O 3.46Å; N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.24Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 3.47Å
93E97.9Very high96.9Very high112 Ų11249.7 Ų49.752%0.52328%0.283SS..EExtended strand (participates in β ladder)trans-95.5140.2174.5-59.6-176.9178.800110.4L66 H85 V86 R87L66-E93 HydrophobicContact CD1-CG 4.1Å; H85-E93 IonicContact CE1-OE2 3.32Å; H85-E93 PolarHBondContact CE1-OE2 2.87Å; H85-E93 VanDerWaalsContact CE1-OE2 3.32Å; V86-E93 VanDerWaalsContact O-CA 3.32Å; V86-E93 WeakPolarHBondContact O-CA 3.18Å; R87-E93 HydrophobicContact CG-CG 4.49Å
94A97.6Very high96.8Very high24 Ų2455.9 Ų55.920%0.19832%0.316CS..EExtended strand (participates in β ladder)trans-149.4162.4-178.200000111.1V86 L88 L126V86-A94 PolarHBondContact N-O 3.43Å; V86-A94 PolarHBondContact O-N 2.97Å; L88-A94 HydrophobicContact CD1-CB 4.15Å; L88-A94 HydrophobicContact CG-CB 4.47Å; A94-L126 HydrophobicContact CB-CD1 3.78Å
95V98.1Very high96.7Very high21 Ų2156.3 Ų56.313%0.12732%0.318CS..EExtended strand (participates in β ladder)trans-100.6128.1173.6-179.50000109.1M69 C83 A84 V124M69-V95 HydrophobicContact CE-CB 4.04Å; M69-V95 HydrophobicContact CE-CG1 3.41Å; M69-V95 VanDerWaalsContact CE-CG1 3.41Å; M69-V95 HydrophobicContact CE-CG2 3.51Å; C83-V95 HydrophobicContact CB-CG1 4.2Å; A84-V95 WeakPolarHBondContact O-CA 3.45Å; V95-V124 HydrophobicContact CB-CG2 4.43Å; V95-V124 HydrophobicContact CG1-CG2 3.89Å
96V98.2Very high96.7Very high0 Ų059.2 Ų59.20%033%0.332CS..EExtended strand (participates in β ladder)trans-116.1144.4-179.7-55.30000110.7C83 A84 V86 V113 L126 V128C83-V96 CarbonylContact C-O 3.59Å; C83-V96 VanDerWaalsContact CA-O 3.23Å; C83-V96 WeakPolarHBondContact CA-O 3.46Å; C83-V96 WeakPolarHBondContact CB-O 3.26Å; A84-V96 HydrophobicContact CB-CG2 3.9Å; A84-V96 PolarHBondContact N-O 2.87Å; A84-V96 PolarHBondContact O-N 3.07Å; V86-V96 HydrophobicContact CG1-CG1 4.31Å; V86-V96 HydrophobicContact CG1-CG2 3.58Å; V86-V96 HydrophobicContact CG2-CG1 3.49Å; V86-V96 VanDerWaalsContact CG2-CG1 3.49Å; V86-V96 HydrophobicContact CG2-CG2 4.32Å; V96-V113 HydrophobicContact CB-CG1 4.47Å; V96-V113 HydrophobicContact CG1-CG1 3.69Å; V96-V113 HydrophobicContact CG1-CG2 4.05Å; V96-L126 WeakPolarHBondContact CA-O 3.4Å; V96-L126 HydrophobicContact CB-CB 4.38Å; V96-L126 HydrophobicContact CG1-CB 3.76Å; V96-L126 HydrophobicContact CG1-CD1 4.25Å; V96-V128 HydrophobicContact CB-CG2 4.02Å; V96-V128 HydrophobicContact CG2-CG2 3.48Å; V96-V128 VanDerWaalsContact CG2-CG2 3.48Å
97F98.3Very high96.7Very high38 Ų3864 Ų6417%0.16736%0.355CS..EExtended strand (participates in β ladder)trans-86.5138.6171.5176.2-114.9000110.6R81 K82 P99 T118 L121 V124 L126 T127 V128R81-F97 HydrophobicContact CB-CE2 4.3Å; K82-F97 WeakPolarHBondContact O-CD2 3.42Å; F97-P99 HydrophobicContact CD1-CB 4.46Å; F97-P99 HydrophobicContact CE1-CB 4.05Å; F97-T118 WeakPolarHBondContact CB-OG1 3.49Å; F97-T118 HydrophobicContact CD1-CG2 4.42Å; F97-T118 HydrophobicContact CD2-CG2 4.28Å; F97-T118 HydrophobicContact CG-CG2 4.2Å; F97-T118 WeakPolarHBondContact CG-OG1 3.36Å; F97-L121 HydrophobicContact CD2-CD1 4.18Å; F97-V124 HydrophobicContact CB-CG1 3.83Å; F97-L126 PolarHBondContact N-O 2.82Å; F97-T127 HydrophobicContact CD1-CG2 4.13Å; F97-T127 WeakPolarHBondContact O-CA 3.39Å; F97-V128 PolarHBondContact O-N 2.98Å
98I97.7Very high96.6Very high2 Ų264.5 Ų64.51%0.0136%0.362CS..  trans-101.8110.4175.6-59.3164.7000107.7K82 A84 H103 L105 V128 R130K82-I98 HydrophobicContact CB-CB 4.47Å; K82-I98 PolarHBondContact O-N 2.92Å; K82-I98 VanDerWaalsContact O-N 3.11Å; A84-I98 HydrophobicContact CB-CD1 4.19Å; I98-H103 HydrophobicContact CG2-CB 4.06Å; I98-L105 HydrophobicContact CD1-CD1 3.93Å; I98-L105 HydrophobicContact CG1-CD1 4.23Å; I98-L105 HydrophobicContact CG2-CD1 4.42Å; I98-V128 HydrophobicContact CG1-CG2 4.18Å; I98-R130 VanDerWaalsContact CG2-NH2 3.32Å
99P96.9Very high96.6Very high34 Ų3465.9 Ų65.922%0.22137%0.37CS..  trans-78.3159.5-176.832.9-35.1000111.9F97 T127 V128 R130F97-P99 HydrophobicContact CD1-CB 4.46Å; F97-P99 HydrophobicContact CE1-CB 4.05Å; P99-T127 HydrophobicContact CB-CG2 4.24Å; P99-T127 HydrophobicContact CG-CG2 3.88Å; P99-V128 WeakPolarHBondContact CD-O 3.18Å; P99-V128 WeakPolarHBondContact CG-O 3.24Å; P99-R130 HydrophobicContact CG-CG 4.05Å; P99-R130 VanDerWaalsContact O-CZ 3.24Å; P99-R130 PolarHBondContact O-NE 3.19Å; P99-R130 PolarHBondContact O-NH2 2.89Å
100G94.4Very high96.7Very high59 Ų5964 Ų6461%0.60836%0.355SS*.SBendtrans79.3-172.5179.500000114
101E93.4Very high96.8Very high154 Ų15461.2 Ų61.272%0.7234%0.34SS*.SBendtrans-100131.3-176.4-63.4-179.6-170.900111.3
102G92.3Very high96.9Very high53 Ų5360.9 Ų60.955%0.54633%0.329SS..  trans66.4149.417900000114.3R130G102-R130 PolarHBondContact O-NH1 3.42Å; G102-R130 PolarHBondContact O-NH2 3.17Å
103H95.8Very high97Very high61 Ų6155.5 Ų55.528%0.28231%0.305SS..  trans-153.3151.2168.359.9-86.9000109.4I98 L105I98-H103 HydrophobicContact CG2-CB 4.06Å; H103-L105 HydrophobicContact CB-CD1 4.43Å; H103-L105 HydrophobicContact CB-CG 4.32Å
104N95.1Very high97Very high129 Ų12953.7 Ų53.769%0.6930%0.297SS*.  trans-107.829.3173.6-169.630.6000111.3
105L96.9Very high96.9Very high10 Ų1054.6 Ų54.65%0.05231%0.309CS..  trans-77.8136.3179.3-63.7169.8000109.7I65 T68 I98 H103 N109 V111 D134 C135I65-L105 HydrophobicContact CD1-CB 3.71Å; I65-L105 HydrophobicContact CD1-CD1 3.94Å; I65-L105 HydrophobicContact CD1-CD2 4.08Å; I65-L105 HydrophobicContact CD1-CG 4.12Å; T68-L105 WeakPolarHBondContact CG2-O 3.41Å; I98-L105 HydrophobicContact CD1-CD1 3.93Å; I98-L105 HydrophobicContact CG1-CD1 4.23Å; I98-L105 HydrophobicContact CG2-CD1 4.42Å; H103-L105 HydrophobicContact CB-CD1 4.43Å; H103-L105 HydrophobicContact CB-CG 4.32Å; L105-N109 HydrophobicContact CD2-CB 4.37Å; L105-V111 HydrophobicContact CD1-CG1 4.15Å; L105-V111 HydrophobicContact CD2-CG1 3.69Å; L105-D134 HydrophobicContact CD2-CB 4.44Å; L105-C135 HydrophobicContact CD2-CB 4.13Å
106Q97.5Very high96.8Very high116 Ų11654.9 Ų54.954%0.54232%0.316SS..  trans-124177178.3-59.4-179.416.700109.6I65 N109I65-Q106 WeakPolarHBondContact CG2-O 3.47Å; Q106-N109 PolarHBondContact N-ND2 3.32Å; Q106-N109 WeakPolarHBondContact O-CB 3.42Å; Q106-N109 PolarHBondContact O-N 2.92Å
107E97.8Very high96.8Very high102 Ų10262 Ų6248%0.47735%0.347SS..THydrogen-bonded Turntrans-61.7147.5171.5-57.3-175.1172.100109.8L66 N109L66-E107 WeakPolarHBondContact O-CG 3.32Å; E107-N109 PolarHBondContact O-N 2.81Å; E107-N109 VanDerWaalsContact O-N 3.11Å
108H97.3Very high96.7Very high149 Ų14960.7 Ų60.769%0.6934%0.342SS*.THydrogen-bonded Turntrans68.5-7.6-175.1-47.2137.3000117I65I65-H108 PolarHBondContact O-N 2.83Å
109N98.1Very high96.6Very high36 Ų3667.5 Ų67.519%0.19337%0.374CS..  trans-61.8145172.1-73.230.5000111.2I65 L105 Q106 E107 D134I65-N109 HydrophobicContact CD1-CB 4.24Å; I65-N109 PolarHBondContact N-O 3.09Å; L105-N109 HydrophobicContact CD2-CB 4.37Å; Q106-N109 PolarHBondContact N-ND2 3.32Å; Q106-N109 WeakPolarHBondContact O-CB 3.42Å; Q106-N109 PolarHBondContact O-N 2.92Å; E107-N109 PolarHBondContact O-N 2.81Å; E107-N109 VanDerWaalsContact O-N 3.11Å; N109-D134 WeakPolarHBondContact CA-OD2 3.3Å; N109-D134 HydrophobicContact CB-CB 3.99Å
110V98.4Very high96.5Very high33 Ų3367.2 Ų67.220%0.237%0.37CS..EExtended strand (participates in β ladder)trans-95.3132.5178.2-179.20000109.4K62 A63 V64 Y133 D134K62-V110 HydrophobicContact CD-CG1 4.22Å; K62-V110 HydrophobicContact CG-CG1 3.93Å; A63-V110 WeakPolarHBondContact O-CA 3.46Å; V64-V110 HydrophobicContact CG2-CG2 4.45Å; V110-Y133 HydrophobicContact CG1-CD1 4.01Å; V110-Y133 HydrophobicContact CG1-CD2 4.25Å; V110-Y133 HydrophobicContact CG1-CE1 4.42Å; V110-Y133 HydrophobicContact CG1-CG 3.93Å; V110-Y133 WeakPolarHBondContact O-CB 3.25Å; V110-D134 PolarHBondContact N-OD2 2.87Å; V110-D134 PolarHBondContact O-N 3.02Å; V110-D134 VanDerWaalsContact O-N 3.15Å
111V98.3Very high96.6Very high0 Ų064.6 Ų64.60%034%0.342CS..EExtended strand (participates in β ladder)trans-135.2155.4179.1-64.30000112A63 I65 L105 V113 V128 C135A63-V111 HydrophobicContact CB-CG2 4.23Å; A63-V111 PolarHBondContact N-O 3.16Å; A63-V111 PolarHBondContact O-N 2.94Å; I65-V111 HydrophobicContact CD1-CG1 3.85Å; I65-V111 HydrophobicContact CD1-CG2 4.47Å; I65-V111 HydrophobicContact CG1-CG1 4.34Å; I65-V111 HydrophobicContact CG1-CG2 4.15Å; L105-V111 HydrophobicContact CD1-CG1 4.15Å; L105-V111 HydrophobicContact CD2-CG1 3.69Å; V111-V113 HydrophobicContact CG2-CG2 4.09Å; V111-V128 HydrophobicContact CB-CG1 4.1Å; V111-V128 HydrophobicContact CG1-CG1 4.33Å; V111-V128 HydrophobicContact CG2-CG2 4.49Å; V111-C135 HydrophobicContact CG1-CB 4.25Å
112L98.4Very high96.7Very high32 Ų3261.8 Ų61.817%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-96.7130.6170.6-170.767.4000108.3Q60 V129 K132 Y133Q60-L112 HydrophobicContact CB-CD1 3.77Å; Q60-L112 HydrophobicContact CB-CD2 4.28Å; Q60-L112 HydrophobicContact CB-CG 4.01Å; Q60-L112 HydrophobicContact CG-CD2 4.27Å; Q60-L112 HydrophobicContact CG-CG 4.39Å; L112-V129 HydrophobicContact CB-CB 4.2Å; L112-V129 HydrophobicContact CB-CG2 4.42Å; L112-V129 HydrophobicContact CD2-CB 4.28Å; L112-V129 HydrophobicContact CD2-CG1 4.49Å; L112-V129 HydrophobicContact CD2-CG2 4.16Å; L112-V129 HydrophobicContact CG-CB 4.42Å; L112-V129 HydrophobicContact CG-CG2 4.18Å; L112-V129 PolarHBondContact O-N 3.38Å; L112-K132 HydrophobicContact CB-CB 4.31Å; L112-K132 HydrophobicContact CB-CG 4.01Å; L112-K132 HydrophobicContact CD2-CG 3.99Å; L112-Y133 HydrophobicContact CB-CD2 3.76Å; L112-Y133 HydrophobicContact CB-CE2 3.66Å; L112-Y133 HydrophobicContact CD1-CE2 3.97Å; L112-Y133 HydrophobicContact CG-CE2 4.35Å
113V98.2Very high96.9Very high0 Ų062.4 Ų62.40%034%0.344CS..EExtended strand (participates in β ladder)trans-118.8137.1-176.9-174.90000109.2Q60 L61 A63 L88 V96 V111 L126Q60-V113 CarbonylContact C-O 3.54Å; Q60-V113 WeakPolarHBondContact CA-O 3.49Å; Q60-V113 WeakPolarHBondContact CB-O 3.22Å; L61-V113 PolarHBondContact N-O 3.47Å; L61-V113 PolarHBondContact O-N 3.14Å; A63-V113 HydrophobicContact CB-CG2 3.76Å; L88-V113 HydrophobicContact CD2-CG2 4.49Å; V96-V113 HydrophobicContact CB-CG1 4.47Å; V96-V113 HydrophobicContact CG1-CG1 3.69Å; V96-V113 HydrophobicContact CG1-CG2 4.05Å; V111-V113 HydrophobicContact CG2-CG2 4.09Å; V113-L126 HydrophobicContact CG1-CB 3.63Å; V113-L126 HydrophobicContact CG1-CD1 4.12Å; V113-L126 HydrophobicContact CG1-CD2 4.17Å; V113-L126 HydrophobicContact CG1-CG 4.18Å
114Q97.9Very high97Very high75 Ų7559.6 Ų59.635%0.3533%0.331SS..EExtended strand (participates in β ladder)trans-120.7162.4175.468-178.512.600111.6Q60 G116 L126 T127 V129Q60-Q114 HydrophobicContact CG-CB 3.96Å; Q114-G116 PolarHBondContact O-N 2.88Å; Q114-L126 WeakPolarHBondContact O-CA 3.07Å; Q114-T127 PolarHBondContact N-O 2.81Å; Q114-T127 PolarHBondContact O-N 3.48Å; Q114-V129 HydrophobicContact CB-CG2 3.97Å; Q114-V129 HydrophobicContact CG-CG2 3.86Å
115G96.9Very high97Very high43 Ų4359.6 Ų59.644%0.44333%0.325SS..EExtended strand (participates in β ladder)trans-63.8131.3170.800000110.6
116G95.6Very high97.1Very high26 Ų2659.4 Ų59.427%0.26832%0.324SS..  trans177.4108.3179.400000110.5Q114 T118 K125 L126 T127Q114-G116 PolarHBondContact O-N 2.88Å; G116-T118 PolarHBondContact O-N 3.29Å; G116-K125 CarbonylContact C-O 3.49Å; G116-K125 VanDerWaalsContact C-O 3.26Å; G116-K125 PolarHBondContact N-O 3.25Å; G116-K125 CarbonylContact O-C 3.03Å; G116-K125 VanDerWaalsContact O-O 3.05Å; G116-L126 PolarHBondContact O-N 3.21Å; G116-T127 PolarHBondContact O-OG1 2.89Å
117K96.9Very high97.1Very high150 Ų15054.8 Ų54.865%0.65230%0.303SS*.  trans-76119.4177.9-177.4-173.6176.8-175.10109.5Q119K117-Q119 PolarHBondContact O-N 2.78Å; K117-Q119 PolarHBondContact O-OE1 2.87Å
118T97.1Very high97.1Very high11 Ų1150 Ų507%0.06728%0.281CS..  trans-76.7112.2167.7-500000108.4F97 G116 D120 L121 V124F97-T118 WeakPolarHBondContact CB-OG1 3.49Å; F97-T118 HydrophobicContact CD1-CG2 4.42Å; F97-T118 HydrophobicContact CD2-CG2 4.28Å; F97-T118 HydrophobicContact CG-CG2 4.2Å; F97-T118 WeakPolarHBondContact CG-OG1 3.36Å; G116-T118 PolarHBondContact O-N 3.29Å; T118-D120 PolarHBondContact O-N 3.26Å; T118-L121 HydrophobicContact CG2-CB 4.18Å; T118-L121 HydrophobicContact CG2-CD1 3.98Å; T118-L121 HydrophobicContact CG2-CG 4.03Å; T118-L121 PolarHBondContact O-N 3.39Å; T118-V124 PolarHBondContact N-O 3.32Å; T118-V124 VanDerWaalsContact N-O 3.07Å
119Q94.9Very high97.2Very high145 Ų14544.4 Ų44.468%0.67826%0.258SS*.THydrogen-bonded Turntrans-60-33.2-171.2-70.976.34.800112.8K74 K117K74-Q119 WeakPolarHBondContact CE-O 3.43Å; K117-Q119 PolarHBondContact O-N 2.78Å; K117-Q119 PolarHBondContact O-OE1 2.87Å
120D94.8Very high97.1Very high27 Ų2745 Ų4514%0.14426%0.257CS..THydrogen-bonded Turntrans-80.2-27.5-177.2-66.9-26.9000114.1P73 K74 N77 R81 T118P73-D120 HydrophobicContact CB-CB 3.75Å; K74-D120 WeakPolarHBondContact CG-O 3.47Å; K74-D120 PolarHBondContact N-O 3.39Å; N77-D120 PolarHBondContact ND2-OD1 3.23Å; R81-D120 IonicContact CZ-OD2 3.42Å; R81-D120 IonicContact NE-OD2 3.46Å; R81-D120 PolarHBondContact NE-OD2 2.93Å; R81-D120 IonicContact NH2-OD2 2.69Å; R81-D120 PolarHBondContact NH2-OD2 3.24Å; T118-D120 PolarHBondContact O-N 3.26Å
121L97Very high97Very high4 Ų445 Ų452%0.02126%0.264CS..SBendtrans-103.7113.2-171.4-67176000110R71 R81 C83 F97 T118 G123 V124R71-L121 HydrophobicContact CB-CD2 3.85Å; R81-L121 HydrophobicContact CB-CD1 3.82Å; R81-L121 HydrophobicContact CB-CD2 4.1Å; R81-L121 HydrophobicContact CB-CG 4.29Å; R81-L121 HydrophobicContact CG-CD1 4.24Å; R81-L121 HydrophobicContact CG-CD2 4.08Å; R81-L121 HydrophobicContact CG-CG 4.24Å; C83-L121 WeakPolarHBondContact SG-CD1 3.02Å; F97-L121 HydrophobicContact CD2-CD1 4.18Å; T118-L121 HydrophobicContact CG2-CB 4.18Å; T118-L121 HydrophobicContact CG2-CD1 3.98Å; T118-L121 HydrophobicContact CG2-CG 4.03Å; T118-L121 PolarHBondContact O-N 3.39Å; L121-G123 PolarHBondContact O-N 3.34Å; L121-V124 HydrophobicContact CB-CB 3.81Å; L121-V124 HydrophobicContact CB-CG2 3.66Å; L121-V124 HydrophobicContact CD1-CB 4.33Å; L121-V124 HydrophobicContact CD1-CG1 4.47Å; L121-V124 HydrophobicContact CD1-CG2 4.05Å; L121-V124 HydrophobicContact CG-CG2 4.49Å; L121-V124 PolarHBondContact O-N 2.96Å
122P96.2Very high96.9Very high95 Ų9550 Ų5062%0.61729%0.285SS*.THydrogen-bonded Turntrans-63.1134.9175.427.1-33000110.1V124P122-V124 VanDerWaalsContact C-N 3.26Å; P122-V124 PolarHBondContact O-N 3.32Å
123G95.2Very high96.9Very high67 Ų6753.6 Ų53.669%0.69130%0.297SS*.THydrogen-bonded Turntrans79.4-9.3177.700000116.1L121 K125L121-G123 PolarHBondContact O-N 3.34Å; G123-K125 PolarHBondContact O-N 3.4Å
124V97.7Very high96.9Very high1 Ų157.5 Ų57.51%0.00632%0.318CS..  trans-9097.7179.2-173.90000109.9V95 F97 T118 L121 P122V95-V124 HydrophobicContact CB-CG2 4.43Å; V95-V124 HydrophobicContact CG1-CG2 3.89Å; F97-V124 HydrophobicContact CB-CG1 3.83Å; T118-V124 PolarHBondContact N-O 3.32Å; T118-V124 VanDerWaalsContact N-O 3.07Å; L121-V124 HydrophobicContact CB-CB 3.81Å; L121-V124 HydrophobicContact CB-CG2 3.66Å; L121-V124 HydrophobicContact CD1-CB 4.33Å; L121-V124 HydrophobicContact CD1-CG1 4.47Å; L121-V124 HydrophobicContact CD1-CG2 4.05Å; L121-V124 HydrophobicContact CG-CG2 4.49Å; L121-V124 PolarHBondContact O-N 2.96Å; P122-V124 VanDerWaalsContact C-N 3.26Å; P122-V124 PolarHBondContact O-N 3.32Å
125K97.1Very high96.8Very high130 Ų13054 Ų5457%0.56530%0.302SS*.  trans-105.1-0.6-175.1-61.8-179.2-177.2176.60113.9A54 G116 G123A54-K125 HydrophobicContact CB-CB 3.65Å; A54-K125 HydrophobicContact CB-CD 4.28Å; G116-K125 CarbonylContact C-O 3.49Å; G116-K125 VanDerWaalsContact C-O 3.26Å; G116-K125 PolarHBondContact N-O 3.25Å; G116-K125 CarbonylContact O-C 3.03Å; G116-K125 VanDerWaalsContact O-O 3.05Å; G123-K125 PolarHBondContact O-N 3.4Å
126L98Very high96.8Very high5 Ų555.2 Ų55.23%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-126.5140.9-171.9-68.3179.9000109.7A54 T55 L88 A94 V96 F97 V113 Q114 G116A54-L126 HydrophobicContact CB-CD2 3.72Å; A54-L126 HydrophobicContact CB-CG 4.1Å; T55-L126 HydrophobicContact CG2-CD2 3.66Å; L88-L126 HydrophobicContact CD1-CD1 4.08Å; L88-L126 HydrophobicContact CD2-CD1 4.25Å; A94-L126 HydrophobicContact CB-CD1 3.78Å; V96-L126 WeakPolarHBondContact CA-O 3.4Å; V96-L126 HydrophobicContact CB-CB 4.38Å; V96-L126 HydrophobicContact CG1-CB 3.76Å; V96-L126 HydrophobicContact CG1-CD1 4.25Å; F97-L126 PolarHBondContact N-O 2.82Å; V113-L126 HydrophobicContact CG1-CB 3.63Å; V113-L126 HydrophobicContact CG1-CD1 4.12Å; V113-L126 HydrophobicContact CG1-CD2 4.17Å; V113-L126 HydrophobicContact CG1-CG 4.18Å; Q114-L126 WeakPolarHBondContact O-CA 3.07Å; G116-L126 PolarHBondContact O-N 3.21Å
127T98.1Very high96.8Very high19 Ų1960.8 Ų60.812%0.11733%0.326CS..EExtended strand (participates in β ladder)trans-127.6138.7-179-60.20000109.8F97 P99 Q114 G116F97-T127 HydrophobicContact CD1-CG2 4.13Å; F97-T127 WeakPolarHBondContact O-CA 3.39Å; P99-T127 HydrophobicContact CB-CG2 4.24Å; P99-T127 HydrophobicContact CG-CG2 3.88Å; Q114-T127 PolarHBondContact N-O 2.81Å; Q114-T127 PolarHBondContact O-N 3.48Å; G116-T127 PolarHBondContact O-OG1 2.89Å
128V98.1Very high96.7Very high2 Ų256.8 Ų56.81%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-74.2136.9175.9177.50000110.2V96 F97 I98 P99 V111 C135V96-V128 HydrophobicContact CB-CG2 4.02Å; V96-V128 HydrophobicContact CG2-CG2 3.48Å; V96-V128 VanDerWaalsContact CG2-CG2 3.48Å; F97-V128 PolarHBondContact O-N 2.98Å; I98-V128 HydrophobicContact CG1-CG2 4.18Å; P99-V128 WeakPolarHBondContact CD-O 3.18Å; P99-V128 WeakPolarHBondContact CG-O 3.24Å; V111-V128 HydrophobicContact CB-CG1 4.1Å; V111-V128 HydrophobicContact CG1-CG1 4.33Å; V111-V128 HydrophobicContact CG2-CG2 4.49Å; V128-C135 HydrophobicContact CG1-CB 4.17Å
129V97.8Very high96.4Very high32 Ų3262.4 Ų62.419%0.19435%0.348CS..PPolyproline II helixtrans-82128171.8-176.50000109.1L112 Q114L112-V129 HydrophobicContact CB-CB 4.2Å; L112-V129 HydrophobicContact CB-CG2 4.42Å; L112-V129 HydrophobicContact CD2-CB 4.28Å; L112-V129 HydrophobicContact CD2-CG1 4.49Å; L112-V129 HydrophobicContact CD2-CG2 4.16Å; L112-V129 HydrophobicContact CG-CB 4.42Å; L112-V129 HydrophobicContact CG-CG2 4.18Å; L112-V129 PolarHBondContact O-N 3.38Å; Q114-V129 HydrophobicContact CB-CG2 3.97Å; Q114-V129 HydrophobicContact CG-CG2 3.86Å
130R97Very high96.2Very high49 Ų4964.9 Ų64.919%0.18536%0.357CS..THydrogen-bonded Turntrans-81.8149.6175.1-72.9-77.8179.816813.3110.8I98 P99 G102 C135 A136I98-R130 VanDerWaalsContact CG2-NH2 3.32Å; P99-R130 HydrophobicContact CG-CG 4.05Å; P99-R130 VanDerWaalsContact O-CZ 3.24Å; P99-R130 PolarHBondContact O-NE 3.19Å; P99-R130 PolarHBondContact O-NH2 2.89Å; G102-R130 PolarHBondContact O-NH1 3.42Å; G102-R130 PolarHBondContact O-NH2 3.17Å; R130-C135 VanDerWaalsContact CD-SG 3.56Å; R130-A136 WeakPolarHBondContact CD-O 3.18Å
131G95.9Very high95.8Very high32 Ų3272 Ų7233%0.3339%0.387SS..THydrogen-bonded Turntrans80.518178.300000114.6C135 H137G131-C135 CarbonylContact C-O 3.56Å; G131-C135 VanDerWaalsContact CA-O 3.3Å; G131-C135 WeakPolarHBondContact CA-O 3.35Å; G131-C135 PolarHBondContact N-O 2.94Å; G131-H137 VanDerWaalsContact CA-CE1 3.43Å; G131-H137 WeakPolarHBondContact CA-CE1 3.37Å; G131-H137 WeakPolarHBondContact CA-NE2 3.45Å
132K97Very high95.1Very high106 Ų10682 Ų8246%0.46143%0.43SS..BIsolated β-bridgetrans-139.7140.6-179.2-169.866176.7-176.90111.9L112 C135L112-K132 HydrophobicContact CB-CB 4.31Å; L112-K132 HydrophobicContact CB-CG 4.01Å; L112-K132 HydrophobicContact CD2-CG 3.99Å; K132-C135 PolarHBondContact N-O 3.5Å; K132-C135 PolarHBondContact O-N 2.9Å
133Y97.5Very high93.7Very high107 Ų10790.1 Ų90.142%0.4246%0.46SS..THydrogen-bonded Turntrans52.1-133.1-170.9-55.3-69.2000110.1K62 V110 L112 C135K62-Y133 HydrophobicContact CG-CE2 4.27Å; V110-Y133 HydrophobicContact CG1-CD1 4.01Å; V110-Y133 HydrophobicContact CG1-CD2 4.25Å; V110-Y133 HydrophobicContact CG1-CE1 4.42Å; V110-Y133 HydrophobicContact CG1-CG 3.93Å; V110-Y133 WeakPolarHBondContact O-CB 3.25Å; L112-Y133 HydrophobicContact CB-CD2 3.76Å; L112-Y133 HydrophobicContact CB-CE2 3.66Å; L112-Y133 HydrophobicContact CD1-CE2 3.97Å; L112-Y133 HydrophobicContact CG-CE2 4.35Å; Y133-C135 PolarHBondContact O-N 2.76Å
134D97.5Very high93.7Very high82 Ų8291.3 Ų91.344%0.43945%0.448SS..THydrogen-bonded Turntrans-81.3-2.4-175.1-53.3-31.8000112.7L105 N109 V110 A136L105-D134 HydrophobicContact CD2-CB 4.44Å; N109-D134 WeakPolarHBondContact CA-OD2 3.3Å; N109-D134 HydrophobicContact CB-CB 3.99Å; V110-D134 PolarHBondContact N-OD2 2.87Å; V110-D134 PolarHBondContact O-N 3.02Å; V110-D134 VanDerWaalsContact O-N 3.15Å; D134-A136 PolarHBondContact O-N 2.85Å
135C96.5Very high93.5Very high1 Ų196 Ų961%0.00747%0.471CS..BIsolated β-bridgetrans-89.792.2178-162.10000110.5L105 V111 V128 R130 G131 K132 Y133L105-C135 HydrophobicContact CD2-CB 4.13Å; V111-C135 HydrophobicContact CG1-CB 4.25Å; V128-C135 HydrophobicContact CG1-CB 4.17Å; R130-C135 VanDerWaalsContact CD-SG 3.56Å; G131-C135 CarbonylContact C-O 3.56Å; G131-C135 VanDerWaalsContact CA-O 3.3Å; G131-C135 WeakPolarHBondContact CA-O 3.35Å; G131-C135 PolarHBondContact N-O 2.94Å; K132-C135 PolarHBondContact N-O 3.5Å; K132-C135 PolarHBondContact O-N 2.9Å; Y133-C135 PolarHBondContact O-N 2.76Å
136A95.9Very high93.3Very high68 Ų6894.1 Ų94.156%0.56247%0.466SS*.PPolyproline II helixtrans-64.7161177.700000113.5R130 D134R130-A136 WeakPolarHBondContact CD-O 3.18Å; D134-A136 PolarHBondContact O-N 2.85Å
137H95.9Very high93Very high143 Ų14399.4 Ų99.466%0.66249%0.492SS*.PPolyproline II helixtrans-61.6152.7170.5-66.398000111.2G131 V139G131-H137 VanDerWaalsContact CA-CE1 3.43Å; G131-H137 WeakPolarHBondContact CA-CE1 3.37Å; G131-H137 WeakPolarHBondContact CA-NE2 3.45Å; H137-V139 PolarHBondContact O-N 2.88Å
138V95.1Very high92.7Very high67 Ų67104.4 Ų104.441%0.40652%0.515SS..PPolyproline II helixtrans-72126.2175.3-179.60000108.8
139V92.1Very high92.3Very high128 Ų128111.2 Ų111.278%0.77655%0.549SS*.PPolyproline II helixtrans-77.7123.4176.3-178.40000108.8H137 K141H137-V139 PolarHBondContact O-N 2.88Å; V139-K141 PolarHBondContact O-N 2.82Å
140K89.4Confident91.9Very high198 Ų198116.9 Ų116.986%0.86157%0.574SS**PPolyproline II helixtrans-69.6124.8171.6-70.4-175.6178-178.70108.9
141K86.8Confident91.5Very high177 Ų177122.1 Ų122.177%0.7760%0.604SS**PPolyproline II helixtrans-76.4132.7168.1-62.7-177.6-179179.70108V139 Q143V139-K141 PolarHBondContact O-N 2.82Å; K141-Q143 PolarHBondContact O-N 3.14Å
142K81.6Confident91.2Very high213 Ų213129.6 Ų129.693%0.92663%0.627SS**PPolyproline II helixtrans-67.6120.1163.5-73.2-176.8177.8-178.50106.1
143Q68.6Low90.6Very high265 Ų265131.7 Ų131.7100%1.23864%0.642SS**  trans-74.10172.6-78.3-179.2-60.300110K141K141-Q143 PolarHBondContact O-N 3.14Å

Retrieved 143 of 143 residues in 125.7 ms (Link to these results)