A0A077Z933_TRITR Loading...

EXOSC1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z933, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 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
1M37.5Very low48.7Very low251 Ų251134.3 Ų134.3100%1.23675%0.745SS**  096.20-70.2-167.7176.500107.9
2A47.3Very low48.2Very low97 Ų97133.3 Ų133.380%0.80274%0.744SS**  trans-133.1120.4168.900000105.5L4A2-L4 PolarHBondContact O-N 2.93Å
3N44.2Very low47.3Very low141 Ų141138.8 Ų138.875%0.75475%0.747SS**  trans-66.2128.6-166.3-74.9-51.2000111.4S5N3-S5 PolarHBondContact O-N 3.2Å
4L53.8Low46.6Very low146 Ų146144.5 Ų144.576%0.76476%0.755SS**THydrogen-bonded Turntrans-71.31.3179.9-102.3141.6000114.1A2A2-L4 PolarHBondContact O-N 2.93Å
5S57Low45.8Very low73 Ų73143.1 Ų143.151%0.5176%0.76SS.*THydrogen-bonded Turntrans-73.5-27-176.349.40000113.9N3N3-S5 PolarHBondContact O-N 3.2Å
6D54Low45.2Very low123 Ų123141.7 Ų141.766%0.65876%0.761SS**G310 helixtrans-87.3-19.2-171.3-65-16000113.3L8D6-L8 VanDerWaalsContact C-N 3.33Å; D6-L8 PolarHBondContact O-N 2.94Å
7L51.8Low44.7Very low139 Ų139140.9 Ų140.973%0.72876%0.763SS**G310 helixtrans-80.1-9.5178.7-88.1155.3000114.1
8L47.4Very low44.3Very low132 Ų132143.3 Ų143.369%0.69177%0.774SS**G310 helixtrans-87.9-8.2-179-71.3176.8000114.1D6D6-L8 VanDerWaalsContact C-N 3.33Å; D6-L8 PolarHBondContact O-N 2.94Å
9L51.1Low44Very low137 Ų137142.5 Ų142.572%0.71778%0.775SS**SBendtrans-93.9-12179.8-104.2137.5000113.9
10E48.6Very low43.5Very low143 Ų143141.8 Ų141.867%0.66878%0.775SS**SBendtrans-88.8-18.8-175.5-136.885.7-158.100113.8
11S42.5Very low43.2Very low95 Ų95139.9 Ų139.966%0.66478%0.779SS**THydrogen-bonded Turntrans-91.5-2.3-172.255.90000115.1R13S11-R13 VanDerWaalsContact C-N 3.25Å; S11-R13 PolarHBondContact O-N 2.89Å
12V42.7Very low43Very low122 Ų122140 Ų14074%0.73977%0.765SS**THydrogen-bonded Turntrans-82.76-177.9-171.10000112.8
13R37Very low42.3Very low205 Ų205138.6 Ų138.677%0.77476%0.76SS**  trans-107.131.4-169.4-62.1-162.8-158.8-166.610116.6S11S11-R13 VanDerWaalsContact C-N 3.25Å; S11-R13 PolarHBondContact O-N 2.89Å
14Y37.2Very low41.7Very low219 Ų219142.3 Ų142.386%0.85977%0.77SS**  trans-137.879.2177.3-130-93.3000113.1
15C35.4Very low41Very low123 Ų123139.6 Ų139.683%0.83177%0.769SS**  trans175.5100146.7-94.60000110.3
16P35.5Very low40.3Very low121 Ų121143 Ų14379%0.78678%0.78SS**  trans-110.781.5171.136.2-22.3000110.1
17T36.8Very low39.3Very low129 Ų129147.9 Ų147.979%0.79180%0.795SS**  trans-174.186.3157.742.20000110
18L38Very low38.7Very low184 Ų184144.6 Ų144.696%0.96379%0.787SS**  trans-163.986.2151.1-105.6144.5000108.2
19T38.5Very low38.6Very low127 Ų127146 Ų14678%0.77979%0.794SS**  trans-77.6125.9175.7-56.80000109.3
20T32.7Very low38.1Very low128 Ų128142.4 Ų142.479%0.78578%0.784SS**  trans61.990148.5-50.40000118.1
21A38.6Very low38Very low103 Ų103141.7 Ų141.785%0.85179%0.789SS**  trans-155.9135.1135.300000110
22R33.5Very low38.2Very low254 Ų254141.2 Ų141.296%0.95879%0.791SS**  trans-63144.1-175.1-69.1168.7160.7165.4-6.5112.5
23G32.5Very low38.4Very low66 Ų66141 Ų14168%0.6878%0.783SS**  trans106.5123.6149.700000115.5
24F30.9Very low39Very low219 Ų219137 Ų13796%0.96178%0.775SS**  trans46.9101.8154.4-77.7-95.3000118.3
25A39Very low39.4Very low90 Ų90131.5 Ų131.574%0.74476%0.764SS**  trans-172.6106.4131.100000111.9
26I42.4Very low39.9Very low145 Ų145133 Ų13374%0.74476%0.757SS**  51.186.1128.8-50.3168.8000115.8A28I26-A28 VanDerWaalsContact C-N 3.28Å; I26-A28 HydrophobicContact CG2-CB 3.48Å; I26-A28 VanDerWaalsContact CG2-CB 3.48Å; I26-A28 PolarHBondContact O-N 2.64Å
27K32.9Very low40.3Very low225 Ų225135.9 Ų135.998%0.97875%0.752SS**  trans-64.586.2147.6-85.8177.6168.5178.10108.6
28A38.5Very low40.9Very low69 Ų69136.6 Ų136.657%0.5775%0.75SS**  trans-158.253172.600000114.2I26I26-A28 VanDerWaalsContact C-N 3.28Å; I26-A28 HydrophobicContact CG2-CB 3.48Å; I26-A28 VanDerWaalsContact CG2-CB 3.48Å; I26-A28 PolarHBondContact O-N 2.64Å
29I45.3Very low41.5Very low161 Ų161134.8 Ų134.883%0.82674%0.741SS**SBendtrans-145.590.5156.3-68103.5000106.6
30A42.4Very low41.6Very low63 Ų63133 Ų13352%0.52173%0.733SS.*SBendtrans-161.2-21.617000000113.2
31V46.4Very low42.4Very low127 Ų127133.4 Ų133.477%0.7774%0.738SS**SBendtrans-85.6-20-174.9-172.50000112.7
32A45.1Very low42.7Very low86 Ų86132.1 Ų132.171%0.71173%0.734SS**Hα-helixtrans-81.6-21.6-179.900000114.3
33E47.9Very low43.2Very low118 Ų118123.9 Ų123.955%0.55172%0.721SS**Hα-helixtrans-78.7-19.7-177.2-80.5-169.1130.900114
34I48.9Very low43.9Very low121 Ų121129 Ų12962%0.62173%0.728SS**Hα-helixtrans-85-27.1-174.5-62.7167.4000111.1
35T46.7Very low44.8Very low102 Ų102121.6 Ų121.663%0.62670%0.703SS**Hα-helixtrans-81.4-26.4-178.9-26.90000112.8
36F44.7Very low45.6Very low154 Ų154121.3 Ų121.368%0.67569%0.686SS**Hα-helixtrans-76.9-24.6-179.3-147.9-97000113.1L38F36-L38 VanDerWaalsContact C-N 3.26Å; F36-L38 PolarHBondContact O-N 3.49Å
37R44.4Very low46.1Very low182 Ų182115.8 Ų115.869%0.68766%0.66SS**THydrogen-bonded Turntrans-70.8-14.6176.7-86.6-163.5177.3-167.80.6114.8
38L49.7Very low47.3Very low144 Ų144111 Ų11175%0.75465%0.645SS**THydrogen-bonded Turntrans-97.5-11.3-175.1-78164.1000114.2F36F36-L38 VanDerWaalsContact C-N 3.26Å; F36-L38 PolarHBondContact O-N 3.49Å
39L50.7Low48.4Very low147 Ų147114 Ų11477%0.7765%0.645SS**SBendtrans-101.9-10.3-165.9-141.779000116.1
40C40.4Very low49.7Very low89 Ų89107 Ų10760%0.60161%0.609SS**  trans-14487.3-177-62.90000113.3G42C40-G42 PolarHBondContact O-N 3.27Å
41P48.5Very low51.1Low137 Ų137107.6 Ų107.689%0.8960%0.603SS**THydrogen-bonded Turntrans-80.493.1164.132.6-26.1000107.7
42G45Very low52.7Low76 Ų76106.4 Ų106.478%0.78460%0.601SS**THydrogen-bonded Turntrans151.4-4.1175.200000117.1C40 M44C40-G42 PolarHBondContact O-N 3.27Å; G42-M44 PolarHBondContact O-N 2.82Å
43A43.9Very low54.4Low81 Ų81104.1 Ų104.167%0.66958%0.576SS**  trans-83.394.5170.900000109.1
44M47Very low56.1Low172 Ų172101.5 Ų101.585%0.84757%0.566SS**  trans-48.2136164.2-88.7176.3152.100109.3G42 Q46G42-M44 PolarHBondContact O-N 2.82Å; M44-Q46 PolarHBondContact O-N 3.05Å
45P51.6Low57.8Low65 Ų6598 Ų9842%0.42256%0.559SS.*  trans-62.8127.5178.427.2-31.7000108.1S47P45-S47 PolarHBondContact O-N 3.07Å; P45-S47 PolarHBondContact O-OG 2.93Å
46Q54.1Low59.8Low84 Ų8495.2 Ų95.239%0.39354%0.543SS..THydrogen-bonded Turntrans-71.327.7174.5-64.9-169.17.400112.3M44 D48 K49 F50 I70M44-Q46 PolarHBondContact O-N 3.05Å; Q46-D48 PolarHBondContact O-N 3.04Å; Q46-K49 HydrophobicContact CB-CD 4.43Å; Q46-K49 PolarHBondContact O-N 3.46Å; Q46-K49 VanDerWaalsContact O-N 3.15Å; Q46-F50 HydrophobicContact CB-CE2 4.37Å; Q46-F50 WeakPolarHBondContact O-CD2 2.93Å; Q46-F50 WeakPolarHBondContact O-CE2 3.33Å; Q46-I70 HydrophobicContact CB-CD1 4.33Å
47S54.5Low62Low29 Ų2992.6 Ų92.620%0.20354%0.541CS..Hα-helixtrans-55.5-35.1177.944.60000111.5P45 K49 F50 D51P45-S47 PolarHBondContact O-N 3.07Å; P45-S47 PolarHBondContact O-OG 2.93Å; S47-K49 PolarHBondContact O-N 2.86Å; S47-K49 VanDerWaalsContact O-N 3.12Å; S47-F50 PolarHBondContact O-N 3.13Å; S47-D51 PolarHBondContact O-N 2.84Å
48D56.7Low64.4Low123 Ų12384.5 Ų84.566%0.65851%0.512SS*.Hα-helixtrans-61.6-27.2-177.5-53.5-1.5000112.7Q46 F50Q46-D48 PolarHBondContact O-N 3.04Å; D48-F50 VanDerWaalsContact C-N 3.34Å
49K63Low66.4Low132 Ų13282.4 Ų82.457%0.57450%0.5SS*.Hα-helixtrans-71.5-32.2175-69.9-174.7-174.7168.40112.1Q46 S47Q46-K49 HydrophobicContact CB-CD 4.43Å; Q46-K49 PolarHBondContact O-N 3.46Å; Q46-K49 VanDerWaalsContact O-N 3.15Å; S47-K49 PolarHBondContact O-N 2.86Å; S47-K49 VanDerWaalsContact O-N 3.12Å
50F71.3Confident68.5Low15 Ų1578.7 Ų78.77%0.06649%0.485CS..Hα-helixtrans-92-13.6-176.4-53.3-67.1000112.4Q46 S47 D48 S52 L53 V65 E68 I70 L71Q46-F50 HydrophobicContact CB-CE2 4.37Å; Q46-F50 WeakPolarHBondContact O-CD2 2.93Å; Q46-F50 WeakPolarHBondContact O-CE2 3.33Å; S47-F50 PolarHBondContact O-N 3.13Å; D48-F50 VanDerWaalsContact C-N 3.34Å; F50-S52 PolarHBondContact O-N 3.2Å; F50-S52 VanDerWaalsContact O-N 3.16Å; F50-L53 HydrophobicContact CB-CD1 4.18Å; F50-L53 HydrophobicContact CD1-CD1 3.81Å; F50-L53 HydrophobicContact CG-CD1 4.49Å; F50-L53 VanDerWaalsContact O-CB 3.29Å; F50-L53 WeakPolarHBondContact O-CB 3.45Å; F50-L53 PolarHBondContact O-N 3.08Å; F50-V65 HydrophobicContact CD1-CG2 3.75Å; F50-V65 HydrophobicContact CE1-CG2 3.37Å; F50-V65 HydrophobicContact CZ-CG2 4.42Å; F50-E68 WeakPolarHBondContact CZ-OE2 3.14Å; F50-I70 HydrophobicContact CE2-CD1 4.07Å; F50-L71 HydrophobicContact CD1-CD1 4.41Å; F50-L71 HydrophobicContact CD2-CD2 4.13Å; F50-L71 HydrophobicContact CE1-CD1 4.07Å; F50-L71 HydrophobicContact CE2-CD1 4.29Å; F50-L71 HydrophobicContact CE2-CD2 4.28Å; F50-L71 HydrophobicContact CG-CD2 4.47Å; F50-L71 HydrophobicContact CZ-CD1 3.98Å
51D72.8Confident70.8Confident75 Ų7577.1 Ų77.140%0.40148%0.484SS..G310 helixtrans-59.2-26.7172.4-74.8-27.9000112.6S47 L53 N54S47-D51 PolarHBondContact O-N 2.84Å; D51-L53 PolarHBondContact O-N 3.08Å; D51-N54 VanDerWaalsContact O-CB 3.31Å; D51-N54 WeakPolarHBondContact O-CB 3.43Å; D51-N54 PolarHBondContact O-N 2.78Å; D51-N54 VanDerWaalsContact O-N 3.14Å; D51-N54 PolarHBondContact O-ND2 3.32Å; D51-N54 PolarHBondContact OD1-ND2 3.22Å
52S79.1Confident72.9Confident102 Ų10273.5 Ų73.571%0.71346%0.457SS*.G310 helixtrans-67-18.4173.6-61.60000113.5F50 N54F50-S52 PolarHBondContact O-N 3.2Å; F50-S52 VanDerWaalsContact O-N 3.16Å; S52-N54 VanDerWaalsContact C-N 3.35Å
53L80.8Confident75.2Confident38 Ų3876 Ų7620%0.19945%0.447CS..G310 helixtrans-82.8-15.7175.8-66.8152.6000111.6F50 D51 G55 T56 I64 V65 V92F50-L53 HydrophobicContact CB-CD1 4.18Å; F50-L53 HydrophobicContact CD1-CD1 3.81Å; F50-L53 HydrophobicContact CG-CD1 4.49Å; F50-L53 VanDerWaalsContact O-CB 3.29Å; F50-L53 WeakPolarHBondContact O-CB 3.45Å; F50-L53 PolarHBondContact O-N 3.08Å; D51-L53 PolarHBondContact O-N 3.08Å; L53-G55 PolarHBondContact O-N 3.4Å; L53-T56 WeakPolarHBondContact O-CB 3.35Å; L53-T56 WeakPolarHBondContact O-CG2 3.3Å; L53-T56 PolarHBondContact O-N 2.81Å; L53-T56 PolarHBondContact O-OG1 2.91Å; L53-I64 HydrophobicContact CD2-CG2 4.42Å; L53-V65 HydrophobicContact CD1-CB 4.35Å; L53-V65 HydrophobicContact CD1-CG2 4.42Å; L53-V92 HydrophobicContact CB-CG1 4.37Å
54N84.7Confident77.3Confident64 Ų6473.1 Ų73.134%0.34242%0.419SS..THydrogen-bonded Turntrans-62.7126179.9-73.4-37000111.2D51 S52 T56 V92 V94D51-N54 VanDerWaalsContact O-CB 3.31Å; D51-N54 WeakPolarHBondContact O-CB 3.43Å; D51-N54 PolarHBondContact O-N 2.78Å; D51-N54 VanDerWaalsContact O-N 3.14Å; D51-N54 PolarHBondContact O-ND2 3.32Å; D51-N54 PolarHBondContact OD1-ND2 3.22Å; S52-N54 VanDerWaalsContact C-N 3.35Å; N54-T56 VanDerWaalsContact C-N 3.29Å; N54-V92 WeakPolarHBondContact CA-O 3.46Å; N54-V94 WeakPolarHBondContact OD1-CA 3.46Å; N54-V94 VanDerWaalsContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CG2 3.44Å; N54-V94 PolarHBondContact OD1-N 2.79Å
55G84.7Confident79.3Confident46 Ų4665.8 Ų65.847%0.47439%0.385SS..THydrogen-bonded Turntrans79.17.4-177.800000114.4L53 Y91 V92L53-G55 PolarHBondContact O-N 3.4Å; G55-Y91 WeakPolarHBondContact O-CD1 3.34Å; G55-V92 PolarHBondContact N-O 3.39Å
56T88.6Confident81.1Confident45 Ų4569.5 Ų69.528%0.27639%0.394SS..  trans-70.6127.8169.1560000109.8L53 N54 Y91 V92L53-T56 WeakPolarHBondContact O-CB 3.35Å; L53-T56 WeakPolarHBondContact O-CG2 3.3Å; L53-T56 PolarHBondContact O-N 2.81Å; L53-T56 PolarHBondContact O-OG1 2.91Å; N54-T56 VanDerWaalsContact C-N 3.29Å; T56-Y91 WeakPolarHBondContact O-CA 3.49Å; T56-V92 PolarHBondContact O-N 3.48Å
57P91.4Very high82.6Confident98 Ų9870.2 Ų70.264%0.63639%0.394SS*.EExtended strand (participates in β ladder)trans-75.113417431-32.8000109.4G90 Y91P57-G90 WeakPolarHBondContact CA-O 3.25Å; P57-Y91 HydrophobicContact CB-CD1 4.34Å; P57-Y91 HydrophobicContact CB-CE1 4.11Å
58V93.1Very high84.1Confident13 Ų1371.6 Ų71.68%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-129.1148.4-179.9-67.10000111D62 I64 A86 V89 G90 V92 V107V58-D62 HydrophobicContact CB-CB 4.42Å; V58-I64 HydrophobicContact CG1-CG1 4.49Å; V58-A86 HydrophobicContact CB-CB 3.94Å; V58-A86 HydrophobicContact CG2-CB 3.79Å; V58-V89 WeakPolarHBondContact O-CA 3.48Å; V58-G90 PolarHBondContact N-O 2.8Å; V58-G90 PolarHBondContact O-N 2.78Å; V58-V92 HydrophobicContact CB-CG2 4.39Å; V58-V92 HydrophobicContact CG1-CG2 3.53Å; V58-V92 HydrophobicContact CG2-CG2 3.91Å; V58-V107 HydrophobicContact CG2-CB 4.44Å; V58-V107 HydrophobicContact CG2-CG1 3.59Å; V58-V107 HydrophobicContact CG2-CG2 3.88Å
59I93.4Very high85.3Confident99 Ų9970 Ų7051%0.50839%0.393SS..  trans-109.9154.7169.559.9165.1000110.8G61 D62I59-G61 PolarHBondContact O-N 2.84Å; I59-D62 VanDerWaalsContact CG1-CG 3.4Å; I59-D62 WeakPolarHBondContact CG1-OD1 3.46Å; I59-D62 WeakPolarHBondContact CG1-OD2 3.41Å; I59-D62 PolarHBondContact N-OD2 3.2Å; I59-D62 VanDerWaalsContact O-CB 3.25Å; I59-D62 WeakPolarHBondContact O-CB 3.4Å; I59-D62 PolarHBondContact O-N 2.8Å
60P92.9Very high86.2Confident70 Ų7065.6 Ų65.646%0.45538%0.376SS..THydrogen-bonded Turntrans-53.3128.4175.3-27.133000111.8A86 T87 V89P60-A86 CarbonylContact C-O 3.6Å; P60-A86 WeakPolarHBondContact CA-O 3.28Å; P60-T87 WeakPolarHBondContact CG-O 3.33Å; P60-V89 HydrophobicContact CG-CG2 3.87Å
61G90.7Very high86.8Confident56 Ų5665 Ų6558%0.57737%0.373SS*.THydrogen-bonded Turntrans97.2-12.9-174.800000114.4I59 A86I59-G61 PolarHBondContact O-N 2.84Å; G61-A86 PolarHBondContact N-O 3.41Å
62D92.6Very high87.5Confident61 Ų6164.8 Ų64.833%0.32637%0.374SS..  trans-67.1137.6175-76.5-14.1000111.2V58 I59 Y85 A86V58-D62 HydrophobicContact CB-CB 4.42Å; I59-D62 VanDerWaalsContact CG1-CG 3.4Å; I59-D62 WeakPolarHBondContact CG1-OD1 3.46Å; I59-D62 WeakPolarHBondContact CG1-OD2 3.41Å; I59-D62 PolarHBondContact N-OD2 3.2Å; I59-D62 VanDerWaalsContact O-CB 3.25Å; I59-D62 WeakPolarHBondContact O-CB 3.4Å; I59-D62 PolarHBondContact O-N 2.8Å; D62-Y85 CarbonylContact O-C 3.54Å; D62-Y85 VanDerWaalsContact O-CA 3.31Å; D62-Y85 WeakPolarHBondContact O-CA 3.23Å; D62-A86 PolarHBondContact O-N 2.82Å
63K91.6Very high87.9Confident129 Ų12961.2 Ų61.256%0.56135%0.351SS*.EExtended strand (participates in β ladder)trans-83.1115.8172.9179.3177.3172.1173.40109.3C83 Y85K63-C83 HydrophobicContact CD-CB 4.4Å; K63-C83 WeakPolarHBondContact CE-SG 3.34Å; K63-C83 HydrophobicContact CG-CB 4.35Å; K63-C83 PolarHBondContact NZ-SG 3.01Å; K63-Y85 HydrophobicContact CB-CD1 4.15Å; K63-Y85 HydrophobicContact CB-CE1 3.87Å; K63-Y85 HydrophobicContact CG-CE1 4.36Å
64I88.8Confident88.3Confident19 Ų1960.5 Ų60.510%0.09735%0.352CS..EExtended strand (participates in β ladder)trans-81.1-58.5179.6-54.8174.5000109.7L53 V58 I84 A86 V92 I105 V107L53-I64 HydrophobicContact CD2-CG2 4.42Å; V58-I64 HydrophobicContact CG1-CG1 4.49Å; I64-I84 HydrophobicContact CD1-CG2 4.27Å; I64-I84 PolarHBondContact N-O 2.8Å; I64-A86 HydrophobicContact CD1-CB 4.14Å; I64-A86 HydrophobicContact CG1-CB 4.31Å; I64-V92 HydrophobicContact CD1-CG2 4.24Å; I64-V92 HydrophobicContact CG1-CG2 4.45Å; I64-V92 HydrophobicContact CG2-CG1 4.23Å; I64-V92 HydrophobicContact CG2-CG2 4.24Å; I64-I105 HydrophobicContact CD1-CG2 4.37Å; I64-I105 HydrophobicContact CG2-CG2 4.43Å; I64-V107 HydrophobicContact CD1-CG2 3.78Å
65V89.3Confident88.4Confident19 Ų1964.6 Ų64.612%0.11537%0.37CS..EExtended strand (participates in β ladder)trans-156.5158.9-171.368.90000111.6F50 L53 L71 C83 I84 I105F50-V65 HydrophobicContact CD1-CG2 3.75Å; F50-V65 HydrophobicContact CE1-CG2 3.37Å; F50-V65 HydrophobicContact CZ-CG2 4.42Å; L53-V65 HydrophobicContact CD1-CB 4.35Å; L53-V65 HydrophobicContact CD1-CG2 4.42Å; V65-L71 HydrophobicContact CG1-CD1 3.81Å; V65-L71 HydrophobicContact CG2-CD1 4.13Å; V65-C83 WeakPolarHBondContact O-CA 2.97Å; V65-I84 HydrophobicContact CG1-CB 3.97Å; V65-I84 HydrophobicContact CG1-CD1 3.77Å; V65-I84 HydrophobicContact CG1-CG1 4.08Å; V65-I84 PolarHBondContact O-N 2.84Å; V65-I105 HydrophobicContact CG1-CD1 3.6Å
66K89.6Confident88.6Confident143 Ų14363 Ų6362%0.62235%0.353SS*.EExtended strand (participates in β ladder)trans-69.1139.6169.1-168.2176.4-179.8-1780109E68K66-E68 PolarHBondContact O-N 2.87Å
67Y86.1Confident88.7Confident99 Ų9961.7 Ų61.739%0.38835%0.345SS..  trans-64.6127176.4176.4-104000109.9I79 S82Y67-I79 HydrophobicContact CD2-CD1 3.97Å; Y67-I79 HydrophobicContact CD2-CG1 4.36Å; Y67-I79 HydrophobicContact CD2-CG2 3.92Å; Y67-I79 HydrophobicContact CE2-CD1 3.78Å; Y67-I79 HydrophobicContact CE2-CG2 4.48Å; Y67-I79 HydrophobicContact CG-CG2 4.23Å; Y67-S82 VanDerWaalsContact CB-O 3.24Å; Y67-S82 WeakPolarHBondContact CB-O 3.43Å; Y67-S82 PolarHBondContact N-O 3.14Å
68E84.8Confident88.7Confident58 Ų5860.2 Ų60.227%0.27134%0.335SS..  trans-124.9148170.4-66.2-168.3162.600108.3F50 K66 I70 L71F50-E68 WeakPolarHBondContact CZ-OE2 3.14Å; K66-E68 PolarHBondContact O-N 2.87Å; E68-I70 HydrophobicContact CB-CG1 3.81Å; E68-I70 PolarHBondContact O-N 3.21Å; E68-I70 VanDerWaalsContact O-N 3.08Å; E68-I70 WeakPolarHBondContact OE2-CD1 3.16Å; E68-L71 HydrophobicContact CB-CD1 4.26Å; E68-L71 HydrophobicContact CB-CG 4.29Å; E68-L71 PolarHBondContact O-N 2.94Å
69P81.7Confident88.6Confident88 Ų8863.4 Ų63.457%0.57135%0.351SS*.THydrogen-bonded Turntrans-62.2-19.5-179.726.6-35.4000112.7L71 Y102P69-L71 VanDerWaalsContact C-N 3.28Å; P69-Y102 WeakPolarHBondContact O-CD1 2.97Å; P69-Y102 VanDerWaalsContact O-CE1 3.26Å; P69-Y102 WeakPolarHBondContact O-CE1 3.4Å
70I83.1Confident88.4Confident41 Ų4163.2 Ų63.221%0.2135%0.349CS..THydrogen-bonded Turntrans-76.6-11.6173.561.7164.3000113.1Q46 F50 E68 A101 Y102 A103Q46-I70 HydrophobicContact CB-CD1 4.33Å; F50-I70 HydrophobicContact CE2-CD1 4.07Å; E68-I70 HydrophobicContact CB-CG1 3.81Å; E68-I70 PolarHBondContact O-N 3.21Å; E68-I70 VanDerWaalsContact O-N 3.08Å; E68-I70 WeakPolarHBondContact OE2-CD1 3.16Å; I70-A101 WeakPolarHBondContact CB-O 3.33Å; I70-A101 WeakPolarHBondContact CG2-O 3.41Å; I70-Y102 CarbonylContact O-C 3.5Å; I70-Y102 WeakPolarHBondContact O-CA 3.45Å; I70-A103 PolarHBondContact O-N 3.27Å
71L83.7Confident88Confident2 Ų268.6 Ų68.61%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-108.1128.3-176.5-63.3176.3000111.2F50 V65 E68 P69 I84 A103 I105F50-L71 HydrophobicContact CD1-CD1 4.41Å; F50-L71 HydrophobicContact CD2-CD2 4.13Å; F50-L71 HydrophobicContact CE1-CD1 4.07Å; F50-L71 HydrophobicContact CE2-CD1 4.29Å; F50-L71 HydrophobicContact CE2-CD2 4.28Å; F50-L71 HydrophobicContact CG-CD2 4.47Å; F50-L71 HydrophobicContact CZ-CD1 3.98Å; V65-L71 HydrophobicContact CG1-CD1 3.81Å; V65-L71 HydrophobicContact CG2-CD1 4.13Å; E68-L71 HydrophobicContact CB-CD1 4.26Å; E68-L71 HydrophobicContact CB-CG 4.29Å; E68-L71 PolarHBondContact O-N 2.94Å; P69-L71 VanDerWaalsContact C-N 3.28Å; L71-I84 HydrophobicContact CB-CD1 4.03Å; L71-I84 HydrophobicContact CD1-CD1 4.41Å; L71-A103 WeakPolarHBondContact CA-O 3.05Å; L71-A103 HydrophobicContact CD2-CB 3.94Å; L71-I105 HydrophobicContact CB-CD1 4.36Å; L71-I105 HydrophobicContact CD1-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CG1 4.33Å; L71-I105 HydrophobicContact CG-CD1 4.33Å
72V86.3Confident87.9Confident71 Ų7169.7 Ų69.743%0.4336%0.36SS..EExtended strand (participates in β ladder)trans-110.2127.7173.2-1800000108.4G74 A103 V104 I105V72-G74 PolarHBondContact O-N 3.16Å; V72-A103 PolarHBondContact N-O 2.61Å; V72-V104 HydrophobicContact CB-CG2 4.16Å; V72-V104 WeakPolarHBondContact O-CA 3.18Å; V72-I105 PolarHBondContact O-N 2.91Å
73A88.5Confident87.8Confident27 Ų2767.4 Ų67.422%0.22335%0.348CS..EExtended strand (participates in β ladder)trans-74.6117.6172.700000109.4C77 I79 I84A73-C77 HydrophobicContact CB-CB 3.78Å; A73-I79 HydrophobicContact CB-CD1 3.81Å; A73-I79 HydrophobicContact CB-CG1 3.58Å; A73-I84 HydrophobicContact CB-CG2 4.39Å
74G88.3Confident87.8Confident22 Ų2261.2 Ų61.223%0.22732%0.322CS..  trans-93.9-149.3175.600000112.3V72 C77 I105 D106V72-G74 PolarHBondContact O-N 3.16Å; G74-C77 PolarHBondContact O-N 2.78Å; G74-I105 WeakPolarHBondContact CA-O 3.3Å; G74-I105 PolarHBondContact N-O 3.33Å; G74-D106 VanDerWaalsContact CA-OD1 3.25Å; G74-D106 WeakPolarHBondContact CA-OD1 3.37Å
75E87.8Confident87.9Confident151 Ų15163.1 Ų63.171%0.70633%0.328SS*.THydrogen-bonded Turntrans-67.4137.9-175.7-169.1172.6176.200110.9C77 D106 V107E75-C77 PolarHBondContact O-N 3.23Å; E75-D106 PolarHBondContact N-OD1 2.99Å; E75-D106 CarbonylContact O-C 3.59Å; E75-D106 WeakPolarHBondContact O-CA 3.41Å; E75-V107 PolarHBondContact O-N 3.25Å
76G87.5Confident88.1Confident12 Ų1262.3 Ų62.312%0.12432%0.324CS..THydrogen-bonded Turntrans75.34.5-179.200000115.6T87 L88G76-T87 PolarHBondContact O-N 3.43Å; G76-L88 PolarHBondContact O-N 2.85Å
77C91.4Very high88.2Confident17 Ų1759.2 Ų59.212%0.11532%0.316CS..EExtended strand (participates in β ladder)trans-114.7148.1175.7-68.30000111.5A73 G74 E75 I84 Y85 I105 V107A73-C77 HydrophobicContact CB-CB 3.78Å; G74-C77 PolarHBondContact O-N 2.78Å; E75-C77 PolarHBondContact O-N 3.23Å; C77-I84 HydrophobicContact CB-CG2 3.93Å; C77-Y85 CarbonylContact C-O 3.28Å; C77-Y85 WeakPolarHBondContact CA-O 3.46Å; C77-I105 PolarHBondContact SG-O 3.2Å; C77-V107 VanDerWaalsContact SG-CG2 3.58Å
78T91.3Very high88.4Confident67 Ų6757.8 Ų57.841%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-134147.3170-172.50000110.8I84 Y85 T87T78-I84 CarbonylContact O-C 3.6Å; T78-I84 WeakPolarHBondContact O-CA 3.37Å; T78-Y85 PolarHBondContact N-O 2.9Å; T78-Y85 PolarHBondContact O-N 2.85Å; T78-T87 WeakPolarHBondContact CG2-OG1 3.48Å
79I91.8Very high88.6Confident81 Ų8159.5 Ų59.542%0.41533%0.33SS..EExtended strand (participates in β ladder)trans-100118.3178.1-56.1168000107.9Y67 A73 C83 I84Y67-I79 HydrophobicContact CD2-CD1 3.97Å; Y67-I79 HydrophobicContact CD2-CG1 4.36Å; Y67-I79 HydrophobicContact CD2-CG2 3.92Å; Y67-I79 HydrophobicContact CE2-CD1 3.78Å; Y67-I79 HydrophobicContact CE2-CG2 4.48Å; Y67-I79 HydrophobicContact CG-CG2 4.23Å; A73-I79 HydrophobicContact CB-CD1 3.81Å; A73-I79 HydrophobicContact CB-CG1 3.58Å; I79-C83 WeakPolarHBondContact CA-O 3.36Å; I79-I84 HydrophobicContact CG1-CG1 4.3Å
80M88.3Confident89Confident95 Ų9555.7 Ų55.747%0.46831%0.306SS..EExtended strand (participates in β ladder)trans-138.8139.4176.9-159.5-170.1-169.900109.4S82 C83 Y85M80-S82 VanDerWaalsContact C-N 3.26Å; M80-S82 PolarHBondContact O-N 3.23Å; M80-S82 VanDerWaalsContact O-N 3.1Å; M80-C83 PolarHBondContact N-O 2.78Å; M80-C83 CarbonylContact O-C 3.59Å; M80-C83 PolarHBondContact O-N 3.24Å; M80-Y85 HydrophobicContact CB-CD2 3.74Å; M80-Y85 HydrophobicContact CB-CE2 3.8Å; M80-Y85 VanDerWaalsContact O-CE2 3.31Å; M80-Y85 WeakPolarHBondContact O-CE2 3.38Å
81Y85.7Confident89.3Confident183 Ų18358.7 Ų58.772%0.71832%0.315SS*.THydrogen-bonded Turntrans46.944.4177.1-54.2-62.4000114.5C83Y81-C83 PolarHBondContact O-N 2.76Å; Y81-C83 VanDerWaalsContact O-N 3.14Å
82S87.9Confident89.7Confident79 Ų7958.7 Ų58.755%0.55232%0.316SS*.THydrogen-bonded Turntrans56.628.2-177.6-51.90000114.2Y67 M80Y67-S82 VanDerWaalsContact CB-O 3.24Å; Y67-S82 WeakPolarHBondContact CB-O 3.43Å; Y67-S82 PolarHBondContact N-O 3.14Å; M80-S82 VanDerWaalsContact C-N 3.26Å; M80-S82 PolarHBondContact O-N 3.23Å; M80-S82 VanDerWaalsContact O-N 3.1Å
83C89.9Confident89.8Confident12 Ų1256.8 Ų56.88%0.08131%0.305CS..EExtended strand (participates in β ladder)trans-132.2154172.9-60.40000109.5K63 V65 I79 M80 Y81 Y85K63-C83 HydrophobicContact CD-CB 4.4Å; K63-C83 WeakPolarHBondContact CE-SG 3.34Å; K63-C83 HydrophobicContact CG-CB 4.35Å; K63-C83 PolarHBondContact NZ-SG 3.01Å; V65-C83 WeakPolarHBondContact O-CA 2.97Å; I79-C83 WeakPolarHBondContact CA-O 3.36Å; M80-C83 PolarHBondContact N-O 2.78Å; M80-C83 CarbonylContact O-C 3.59Å; M80-C83 PolarHBondContact O-N 3.24Å; Y81-C83 PolarHBondContact O-N 2.76Å; Y81-C83 VanDerWaalsContact O-N 3.14Å; C83-Y85 HydrophobicContact CB-CD2 4.32Å; C83-Y85 HydrophobicContact CB-CE2 3.68Å
84I91.4Very high89.7Confident0 Ų056 Ų560%030%0.297CS..EExtended strand (participates in β ladder)trans-98.7123.7173.6-55.6-179.3000107.4I64 V65 L71 A73 C77 T78 I79 I105I64-I84 HydrophobicContact CD1-CG2 4.27Å; I64-I84 PolarHBondContact N-O 2.8Å; V65-I84 HydrophobicContact CG1-CB 3.97Å; V65-I84 HydrophobicContact CG1-CD1 3.77Å; V65-I84 HydrophobicContact CG1-CG1 4.08Å; V65-I84 PolarHBondContact O-N 2.84Å; L71-I84 HydrophobicContact CB-CD1 4.03Å; L71-I84 HydrophobicContact CD1-CD1 4.41Å; A73-I84 HydrophobicContact CB-CG2 4.39Å; C77-I84 HydrophobicContact CB-CG2 3.93Å; T78-I84 CarbonylContact O-C 3.6Å; T78-I84 WeakPolarHBondContact O-CA 3.37Å; I79-I84 HydrophobicContact CG1-CG1 4.3Å; I84-I105 HydrophobicContact CD1-CD1 3.82Å
85Y92.6Very high89.5Confident58 Ų5858.9 Ų58.923%0.22730%0.304CS..EExtended strand (participates in β ladder)trans-110.9146.5179-68-87.2000110.5D62 K63 C77 T78 M80 C83D62-Y85 CarbonylContact O-C 3.54Å; D62-Y85 VanDerWaalsContact O-CA 3.31Å; D62-Y85 WeakPolarHBondContact O-CA 3.23Å; K63-Y85 HydrophobicContact CB-CD1 4.15Å; K63-Y85 HydrophobicContact CB-CE1 3.87Å; K63-Y85 HydrophobicContact CG-CE1 4.36Å; C77-Y85 CarbonylContact C-O 3.28Å; C77-Y85 WeakPolarHBondContact CA-O 3.46Å; T78-Y85 PolarHBondContact N-O 2.9Å; T78-Y85 PolarHBondContact O-N 2.85Å; M80-Y85 HydrophobicContact CB-CD2 3.74Å; M80-Y85 HydrophobicContact CB-CE2 3.8Å; M80-Y85 VanDerWaalsContact O-CE2 3.31Å; M80-Y85 WeakPolarHBondContact O-CE2 3.38Å; C83-Y85 HydrophobicContact CB-CD2 4.32Å; C83-Y85 HydrophobicContact CB-CE2 3.68Å
86A92.7Very high89.2Confident3 Ų356 Ų563%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-75.9132.9169.900000110V58 P60 G61 D62 I64 V107V58-A86 HydrophobicContact CB-CB 3.94Å; V58-A86 HydrophobicContact CG2-CB 3.79Å; P60-A86 CarbonylContact C-O 3.6Å; P60-A86 WeakPolarHBondContact CA-O 3.28Å; G61-A86 PolarHBondContact N-O 3.41Å; D62-A86 PolarHBondContact O-N 2.82Å; I64-A86 HydrophobicContact CD1-CB 4.14Å; I64-A86 HydrophobicContact CG1-CB 4.31Å; A86-V107 HydrophobicContact CB-CG2 4.37Å
87T91.3Very high88.7Confident77 Ų7759.1 Ų59.147%0.47232%0.315SS..  trans-105.7-20.6172.6-50.10000111.1P60 G76 T78P60-T87 WeakPolarHBondContact CG-O 3.33Å; G76-T87 PolarHBondContact O-N 3.43Å; T78-T87 WeakPolarHBondContact CG2-OG1 3.48Å
88L89.7Confident87.6Confident69 Ų6961.3 Ų61.336%0.36134%0.341SS..SBendtrans-114.8153.3179.5-67.5176.6000111.3G76 V107G76-L88 PolarHBondContact O-N 2.85Å; L88-V107 HydrophobicContact CB-CG1 4.18Å; L88-V107 WeakPolarHBondContact O-CG1 3.36Å
89V90.5Very high86.2Confident95 Ų9566.9 Ų66.958%0.57637%0.368SS*.SBendtrans-80.2126.4167.6179.90000108V58 P60V58-V89 WeakPolarHBondContact O-CA 3.48Å; P60-V89 HydrophobicContact CG-CG2 3.87Å
90G89.7Confident84.9Confident7 Ų765.2 Ų65.27%0.07236%0.363CS..EExtended strand (participates in β ladder)trans174-160.2-178.400000113.9P57 V58 E108P57-G90 WeakPolarHBondContact CA-O 3.25Å; V58-G90 PolarHBondContact N-O 2.8Å; V58-G90 PolarHBondContact O-N 2.78Å; G90-E108 CarbonylContact C-O 3.6Å; G90-E108 VanDerWaalsContact CA-O 3.25Å; G90-E108 WeakPolarHBondContact CA-O 3.4Å
91Y90.1Very high84Confident104 Ų10463.1 Ų63.141%0.40836%0.361SS..EExtended strand (participates in β ladder)trans-108.8135.4173.8-65.2-83000109.5G55 T56 P57 S93 E108 N110G55-Y91 WeakPolarHBondContact O-CD1 3.34Å; T56-Y91 WeakPolarHBondContact O-CA 3.49Å; P57-Y91 HydrophobicContact CB-CD1 4.34Å; P57-Y91 HydrophobicContact CB-CE1 4.11Å; Y91-S93 PolarHBondContact O-N 3.02Å; Y91-E108 PolarHBondContact N-O 2.96Å; Y91-E108 PolarHBondContact O-N 2.74Å; Y91-N110 HydrophobicContact CE2-CB 4.14Å
92V90.9Very high83.6Confident3 Ų357.3 Ų57.32%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-70.1129.2173.7-179.40000109.1L53 N54 G55 T56 V58 I64 V94 I105 V107L53-V92 HydrophobicContact CB-CG1 4.37Å; N54-V92 WeakPolarHBondContact CA-O 3.46Å; G55-V92 PolarHBondContact N-O 3.39Å; T56-V92 PolarHBondContact O-N 3.48Å; V58-V92 HydrophobicContact CB-CG2 4.39Å; V58-V92 HydrophobicContact CG1-CG2 3.53Å; V58-V92 HydrophobicContact CG2-CG2 3.91Å; I64-V92 HydrophobicContact CD1-CG2 4.24Å; I64-V92 HydrophobicContact CG1-CG2 4.45Å; I64-V92 HydrophobicContact CG2-CG1 4.23Å; I64-V92 HydrophobicContact CG2-CG2 4.24Å; V92-V94 HydrophobicContact CG1-CG2 4.13Å; V92-I105 HydrophobicContact CG1-CG2 3.85Å; V92-V107 HydrophobicContact CG2-CG2 4.19Å
93S87.8Confident83.4Confident30 Ų3053.9 Ų53.921%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-126.2110.9173.3176.50000108.9Y91 D106Y91-S93 PolarHBondContact O-N 3.02Å; S93-D106 PolarHBondContact N-O 3.15Å; S93-D106 PolarHBondContact O-N 2.86Å
94V87.6Confident83.2Confident10 Ų1054.8 Ų54.86%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-92.7114.1174.3-171.20000108.2N54 V92 A103 V104 I105N54-V94 WeakPolarHBondContact OD1-CA 3.46Å; N54-V94 VanDerWaalsContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CB 3.31Å; N54-V94 WeakPolarHBondContact OD1-CG2 3.44Å; N54-V94 PolarHBondContact OD1-N 2.79Å; V92-V94 HydrophobicContact CG1-CG2 4.13Å; V94-A103 HydrophobicContact CG1-CB 3.83Å; V94-V104 CarbonylContact C-O 3.58Å; V94-V104 WeakPolarHBondContact CA-O 3.02Å; V94-I105 HydrophobicContact CG1-CG1 4.37Å; V94-I105 HydrophobicContact CG2-CG1 4.2Å
95K84.2Confident83.1Confident84 Ų8454.8 Ų54.837%0.36532%0.32SS..EExtended strand (participates in β ladder)trans-108.4116.9178.6-65.1172.9-168.7143.90109V104 D106 E108K95-V104 PolarHBondContact N-O 3.41Å; K95-V104 PolarHBondContact O-N 2.96Å; K95-D106 IonicContact NZ-OD2 2.87Å; K95-D106 PolarHBondContact NZ-OD2 3.38Å; K95-E108 WeakPolarHBondContact CE-OE1 3.35Å; K95-E108 IonicContact NZ-OE1 2.7Å; K95-E108 PolarHBondContact NZ-OE1 3.08Å
96P80.9Confident82.9Confident91 Ų9153.1 Ų53.159%0.59132%0.315SS*.EExtended strand (participates in β ladder)trans-70.5131.2172.327.9-32.1000110G98P96-G98 PolarHBondContact O-N 3.28Å; P96-G98 VanDerWaalsContact O-N 3.15Å
97V77.5Confident82.8Confident76 Ų7653 Ų5346%0.46131%0.314SS..  trans-89.382.6-179.4-175.80000109.7S100 Y102 V104V97-S100 VanDerWaalsContact O-CB 3.31Å; V97-S100 WeakPolarHBondContact O-CB 3.1Å; V97-S100 PolarHBondContact O-N 2.79Å; V97-S100 PolarHBondContact O-OG 3.18Å; V97-Y102 PolarHBondContact N-O 2.86Å; V97-V104 HydrophobicContact CG2-CB 4.28Å; V97-V104 HydrophobicContact CG2-CG2 3.4Å; V97-V104 VanDerWaalsContact CG2-CG2 3.4Å
98G67.9Low82.5Confident64 Ų6452.6 Ų52.666%0.6631%0.307SS*.THydrogen-bonded Turntrans58.1-144.9175.100000113.9P96 S100P96-G98 PolarHBondContact O-N 3.28Å; P96-G98 VanDerWaalsContact O-N 3.15Å; G98-S100 PolarHBondContact O-N 3.27Å; G98-S100 VanDerWaalsContact O-N 3.12Å
99N62.4Low82.1Confident183 Ų18353.1 Ų53.198%0.97931%0.314SS*.THydrogen-bonded Turntrans-73.99.6177.2-79.23.4000114
100S63.9Low81.1Confident46 Ų4654.1 Ų54.132%0.32232%0.316SS..SBendtrans-88.8141.6-179.3-46.90000109.1V97 G98 Y102V97-S100 VanDerWaalsContact O-CB 3.31Å; V97-S100 WeakPolarHBondContact O-CB 3.1Å; V97-S100 PolarHBondContact O-N 2.79Å; V97-S100 PolarHBondContact O-OG 3.18Å; G98-S100 PolarHBondContact O-N 3.27Å; G98-S100 VanDerWaalsContact O-N 3.12Å; S100-Y102 PolarHBondContact O-N 3.42Å
101A69.9Low79.6Confident52 Ų5262.4 Ų62.443%0.4335%0.35SS..SBendtrans-68.722.117800000114.1I70I70-A101 WeakPolarHBondContact CB-O 3.33Å; I70-A101 WeakPolarHBondContact CG2-O 3.41Å
102Y77.3Confident77.8Confident61 Ų6160.8 Ų60.824%0.23935%0.354CS..  trans-116138.1-176.4-56.5-77.2000111.1P69 I70 V97 S100P69-Y102 WeakPolarHBondContact O-CD1 2.97Å; P69-Y102 VanDerWaalsContact O-CE1 3.26Å; P69-Y102 WeakPolarHBondContact O-CE1 3.4Å; I70-Y102 CarbonylContact O-C 3.5Å; I70-Y102 WeakPolarHBondContact O-CA 3.45Å; V97-Y102 PolarHBondContact N-O 2.86Å; S100-Y102 PolarHBondContact O-N 3.42Å
103A83.6Confident75.9Confident7 Ų762.3 Ų62.36%0.05837%0.365CS..EExtended strand (participates in β ladder)trans-116.9135174.200000110.2I70 L71 V72 V94I70-A103 PolarHBondContact O-N 3.27Å; L71-A103 WeakPolarHBondContact CA-O 3.05Å; L71-A103 HydrophobicContact CD2-CB 3.94Å; V72-A103 PolarHBondContact N-O 2.61Å; V94-A103 HydrophobicContact CG1-CB 3.83Å
104V85.7Confident74.1Confident31 Ų3163.7 Ų63.719%0.18838%0.384CS..EExtended strand (participates in β ladder)trans-96.2128.3175.5176.20000108.4V72 V94 K95 V97V72-V104 HydrophobicContact CB-CG2 4.16Å; V72-V104 WeakPolarHBondContact O-CA 3.18Å; V94-V104 CarbonylContact C-O 3.58Å; V94-V104 WeakPolarHBondContact CA-O 3.02Å; K95-V104 PolarHBondContact N-O 3.41Å; K95-V104 PolarHBondContact O-N 2.96Å; V97-V104 HydrophobicContact CG2-CB 4.28Å; V97-V104 HydrophobicContact CG2-CG2 3.4Å; V97-V104 VanDerWaalsContact CG2-CG2 3.4Å
105I88.6Confident72.6Confident0 Ų068 Ų680%041%0.406CS..EExtended strand (participates in β ladder)trans-102.1109.9176.9-58177.7000108.1I64 V65 L71 V72 G74 C77 I84 V92 V94I64-I105 HydrophobicContact CD1-CG2 4.37Å; I64-I105 HydrophobicContact CG2-CG2 4.43Å; V65-I105 HydrophobicContact CG1-CD1 3.6Å; L71-I105 HydrophobicContact CB-CD1 4.36Å; L71-I105 HydrophobicContact CD1-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CD1 3.99Å; L71-I105 HydrophobicContact CD2-CG1 4.33Å; L71-I105 HydrophobicContact CG-CD1 4.33Å; V72-I105 PolarHBondContact O-N 2.91Å; G74-I105 WeakPolarHBondContact CA-O 3.3Å; G74-I105 PolarHBondContact N-O 3.33Å; C77-I105 PolarHBondContact SG-O 3.2Å; I84-I105 HydrophobicContact CD1-CD1 3.82Å; V92-I105 HydrophobicContact CG1-CG2 3.85Å; V94-I105 HydrophobicContact CG1-CG1 4.37Å; V94-I105 HydrophobicContact CG2-CG1 4.2Å
106D88.9Confident71.5Confident22 Ų2267.3 Ų67.312%0.11841%0.407CS..EExtended strand (participates in β ladder)trans-102.6146.5171.6-64.9-37.7000109.7G74 E75 S93 K95 E108G74-D106 VanDerWaalsContact CA-OD1 3.25Å; G74-D106 WeakPolarHBondContact CA-OD1 3.37Å; E75-D106 PolarHBondContact N-OD1 2.99Å; E75-D106 CarbonylContact O-C 3.59Å; E75-D106 WeakPolarHBondContact O-CA 3.41Å; S93-D106 PolarHBondContact N-O 3.15Å; S93-D106 PolarHBondContact O-N 2.86Å; K95-D106 IonicContact NZ-OD2 2.87Å; K95-D106 PolarHBondContact NZ-OD2 3.38Å; D106-E108 HydrophobicContact CB-CG 4.36Å
107V89.7Confident71Confident1 Ų166.9 Ų66.91%0.00640%0.399CS..EExtended strand (participates in β ladder)trans-109.3102.4164.1174.40000107.2V58 I64 E75 C77 A86 L88 V92V58-V107 HydrophobicContact CG2-CB 4.44Å; V58-V107 HydrophobicContact CG2-CG1 3.59Å; V58-V107 HydrophobicContact CG2-CG2 3.88Å; I64-V107 HydrophobicContact CD1-CG2 3.78Å; E75-V107 PolarHBondContact O-N 3.25Å; C77-V107 VanDerWaalsContact SG-CG2 3.58Å; A86-V107 HydrophobicContact CB-CG2 4.37Å; L88-V107 HydrophobicContact CB-CG1 4.18Å; L88-V107 WeakPolarHBondContact O-CG1 3.36Å; V92-V107 HydrophobicContact CG2-CG2 4.19Å
108E85.4Confident70.9Confident69 Ų6963.3 Ų63.332%0.32238%0.377SS..EExtended strand (participates in β ladder)trans-90.8124.2179.4-65-176.3175.700109.1G90 Y91 K95 D106G90-E108 CarbonylContact C-O 3.6Å; G90-E108 VanDerWaalsContact CA-O 3.25Å; G90-E108 WeakPolarHBondContact CA-O 3.4Å; Y91-E108 PolarHBondContact N-O 2.96Å; Y91-E108 PolarHBondContact O-N 2.74Å; K95-E108 WeakPolarHBondContact CE-OE1 3.35Å; K95-E108 IonicContact NZ-OE1 2.7Å; K95-E108 PolarHBondContact NZ-OE1 3.08Å; D106-E108 HydrophobicContact CB-CG 4.36Å
109P81.2Confident71.4Confident80 Ų8067.4 Ų67.452%0.51938%0.377SS..  trans-58.4146.5167.526.4-32.4000108.9K111P109-K111 PolarHBondContact O-N 2.9Å
110N69.2Low72.4Confident115 Ų11564.5 Ų64.562%0.61536%0.361SS*.SBendtrans-34.9127.4-174.4-173.78.7000111.9Y91 S112Y91-N110 HydrophobicContact CE2-CB 4.14Å; N110-S112 PolarHBondContact O-N 2.84Å
111K58.7Low73.2Confident182 Ų18264 Ų6479%0.79136%0.362SS*.  trans-51.160.1-168.8-65.3177.3178.6175.30114.8P109 S113P109-K111 PolarHBondContact O-N 2.9Å; K111-S113 PolarHBondContact O-N 2.96Å
112S52Low73.8Confident70 Ų7062.7 Ų62.749%0.4935%0.35SS..SBendtrans-76.782.2156.667.70000105.1N110 G114N110-S112 PolarHBondContact O-N 2.84Å; S112-G114 PolarHBondContact O-N 2.66Å
113S50.9Low74Confident35 Ų3562.8 Ų62.825%0.24535%0.354CS..  trans21.181.3156.953.30000111.6K111 D115 P147K111-S113 PolarHBondContact O-N 2.96Å; S113-D115 PolarHBondContact O-N 3.28Å; S113-P147 WeakPolarHBondContact CB-O 3.37Å; S113-P147 PolarHBondContact OG-O 2.72Å
114G50.3Low74Confident59 Ų5962.4 Ų62.461%0.60835%0.352SS*.  trans-43.2134.3-176.700000109.4S112 D116S112-G114 PolarHBondContact O-N 2.66Å; G114-D116 PolarHBondContact O-N 3Å
115D55.8Low74Confident99 Ų9963 Ų6353%0.52936%0.355SS..  trans-4580.5-165.9-62.9-67.7000112S113 L117S113-D115 PolarHBondContact O-N 3.28Å; D115-L117 PolarHBondContact O-N 2.76Å
116D62.1Low73.7Confident70 Ų7063.1 Ų63.137%0.37436%0.356SS..  trans-73.683.9171.5-87.4-28000104.4G114 K146G114-D116 PolarHBondContact O-N 3Å; D116-K146 WeakPolarHBondContact OD2-CD 3.42Å; D116-K146 WeakPolarHBondContact OD2-CE 3.37Å; D116-K146 IonicContact OD2-NZ 2.74Å; D116-K146 PolarHBondContact OD2-NZ 3.25Å
117L69.2Low73.6Confident83 Ų8368.2 Ų68.244%0.43537%0.374SS..  trans-50123.8173.3-165.782.4000107D115 K119 M188 I196D115-L117 PolarHBondContact O-N 2.76Å; L117-K119 PolarHBondContact O-N 3.11Å; L117-M188 HydrophobicContact CD1-CE 3.96Å; L117-M188 HydrophobicContact CD2-CE 3.69Å; L117-M188 HydrophobicContact CD2-SD 4.08Å; L117-M188 HydrophobicContact CG-CE 3.93Å; L117-M188 HydrophobicContact CG-SD 4.49Å; L117-I196 HydrophobicContact CD1-CD1 3.21Å; L117-I196 HydrophobicContact CD1-CG1 4.26Å; L117-I196 HydrophobicContact CG-CD1 3.93Å
118P76Confident73.4Confident0 Ų068.2 Ų68.20%037%0.374CS..  trans-55.6114.6174.921.1-32.4000108.7V124 V143 Y152 V185 I196P118-V124 HydrophobicContact CB-CG1 4.31Å; P118-V143 HydrophobicContact CB-CG2 4.06Å; P118-Y152 VanDerWaalsContact CD-CE2 3.44Å; P118-Y152 HydrophobicContact CG-CD2 4.02Å; P118-Y152 HydrophobicContact CG-CE2 4.24Å; P118-V185 HydrophobicContact CB-CG2 4.17Å; P118-I196 HydrophobicContact CG-CD1 3.78Å; P118-I196 HydrophobicContact CG-CG2 4.11Å
119K79.3Confident73.6Confident151 Ų15169.6 Ų69.666%0.65738%0.382SS*.  trans-83.6154.5176.2-64-179.4-178176.20109.2L117 G121 S122L117-K119 PolarHBondContact O-N 3.11Å; K119-G121 PolarHBondContact O-N 3.34Å; K119-S122 VanDerWaalsContact O-CB 3.3Å; K119-S122 WeakPolarHBondContact O-CB 3.4Å; K119-S122 PolarHBondContact O-N 2.92Å; K119-S122 PolarHBondContact O-OG 3.02Å
120I83Confident73.9Confident122 Ų12270.5 Ų70.563%0.62638%0.383SS*.THydrogen-bonded Turntrans-57.7128170.9-62166.9000108.2H186 M188I120-H186 VanDerWaalsContact CG2-O 3.29Å; I120-H186 WeakPolarHBondContact CG2-O 3.44Å; I120-M188 HydrophobicContact CG1-CB 4.39Å
121G81.3Confident74.7Confident35 Ų3566 Ų6636%0.36136%0.36SS..THydrogen-bonded Turntrans88.7-7.6-176.900000115.4K119 K184 V185K119-G121 PolarHBondContact O-N 3.34Å; G121-K184 WeakPolarHBondContact O-CE 3.25Å; G121-V185 PolarHBondContact N-O 2.84Å
122S81Confident76.1Confident25 Ų2559.8 Ų59.818%0.17534%0.337CS..  trans-69.6142.6174.9-63.20000111.7K119 V185K119-S122 VanDerWaalsContact O-CB 3.3Å; K119-S122 WeakPolarHBondContact O-CB 3.4Å; K119-S122 PolarHBondContact O-N 2.92Å; K119-S122 PolarHBondContact O-OG 3.02Å; S122-V185 PolarHBondContact O-N 2.88Å; S122-V185 VanDerWaalsContact O-N 3.08Å
123L81.9Confident77.5Confident62 Ų6258.6 Ų58.633%0.32533%0.331SS..EExtended strand (participates in β ladder)trans-78.6133.2170.3-66.9172.2000109.4M144 A183 K184L123-M144 HydrophobicContact CB-SD 3.85Å; L123-M144 HydrophobicContact CG-SD 4.44Å; L123-M144 PolarHBondContact O-N 3.16Å; L123-A183 WeakPolarHBondContact CA-O 3.42Å; L123-K184 HydrophobicContact CD2-CB 4.21Å
124V83.5Confident78.9Confident0 Ų059.6 Ų59.60%034%0.338CS..EExtended strand (participates in β ladder)trans-128.5140.9-177.9-67.30000110.3P118 C126 I140 A142 V143 A183 V185P118-V124 HydrophobicContact CB-CG1 4.31Å; V124-C126 VanDerWaalsContact CG2-SG 3.59Å; V124-I140 HydrophobicContact CB-CG2 4.04Å; V124-I140 HydrophobicContact CG1-CG2 4.17Å; V124-A142 CarbonylContact C-O 3.54Å; V124-A142 WeakPolarHBondContact CA-O 3.46Å; V124-V143 HydrophobicContact CG1-CB 4.48Å; V124-V143 HydrophobicContact CG1-CG1 4.38Å; V124-V143 HydrophobicContact CG1-CG2 4.03Å; V124-A183 HydrophobicContact CG2-CB 4.24Å; V124-A183 VanDerWaalsContact CG2-O 3.25Å; V124-A183 WeakPolarHBondContact CG2-O 3.44Å; V124-A183 PolarHBondContact N-O 3.13Å; V124-A183 PolarHBondContact O-N 3.27Å; V124-V185 HydrophobicContact CB-CG2 4.41Å; V124-V185 HydrophobicContact CG1-CG2 3.62Å; V124-V185 HydrophobicContact CG2-CG2 3.82Å
125T85.5Confident80.3Confident44 Ų4462 Ų6227%0.2733%0.33SS..EExtended strand (participates in β ladder)trans-96.3118.6171.4-58.30000108.4L141 A142 I180T125-L141 PolarHBondContact O-N 2.79Å; T125-A142 PolarHBondContact N-O 2.7Å; T125-A142 PolarHBondContact O-N 2.91Å; T125-I180 HydrophobicContact CG2-CG2 3.48Å; T125-I180 VanDerWaalsContact CG2-CG2 3.48Å
126C83.4Confident81.5Confident2 Ų257.2 Ų57.21%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-118.8139.2-172.9-60.10000110.5V124 C138 A139 I140 I180 V181V124-C126 VanDerWaalsContact CG2-SG 3.59Å; C126-C138 HydrophobicContact CB-CB 4.07Å; C126-A139 CarbonylContact C-O 3.57Å; C126-A139 WeakPolarHBondContact CA-O 3.45Å; C126-I140 VanDerWaalsContact SG-CG1 3.6Å; C126-I180 CarbonylContact O-C 3.59Å; C126-I180 WeakPolarHBondContact O-CA 3.42Å; C126-V181 HydrophobicContact CB-CG2 3.95Å; C126-V181 PolarHBondContact N-O 3.06Å; C126-V181 PolarHBondContact O-N 3.33Å
127R86.6Confident82.7Confident129 Ų12955.8 Ų55.849%0.48730%0.298SS..EExtended strand (participates in β ladder)trans-101.3129.1167.8-179.6180-178.1-171.80109.5L129 C138 A139 L141 D179R127-L129 PolarHBondContact O-N 2.76Å; R127-C138 CarbonylContact O-C 3.56Å; R127-C138 VanDerWaalsContact O-CA 3.23Å; R127-C138 WeakPolarHBondContact O-CA 3.29Å; R127-A139 PolarHBondContact N-O 2.87Å; R127-A139 PolarHBondContact O-N 3.31Å; R127-L141 HydrophobicContact CB-CD1 3.87Å; R127-L141 HydrophobicContact CB-CG 4.26Å; R127-D179 WeakPolarHBondContact CA-O 3.45Å
128I86.3Confident83.4Confident1 Ų151.9 Ų51.91%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-75.5128.1176.1-66.3115.3000110.3V131 A136 C138 V175 G176 G178 D179 V181I128-V131 HydrophobicContact CG2-CG2 3.39Å; I128-A136 HydrophobicContact CG2-CB 4.37Å; I128-C138 VanDerWaalsContact CG1-SG 3.58Å; I128-V175 HydrophobicContact CB-CG1 4.08Å; I128-V175 HydrophobicContact CD1-CB 4.48Å; I128-V175 HydrophobicContact CD1-CG1 3.15Å; I128-V175 HydrophobicContact CG1-CG1 3.46Å; I128-V175 VanDerWaalsContact CG1-CG1 3.46Å; I128-V175 HydrophobicContact CG2-CG1 3.96Å; I128-G176 WeakPolarHBondContact CG2-O 3.31Å; I128-G178 WeakPolarHBondContact O-CA 3.31Å; I128-G178 PolarHBondContact O-N 3.49Å; I128-D179 HydrophobicContact CD1-CB 3.97Å; I128-D179 VanDerWaalsContact CD1-O 3.3Å; I128-D179 WeakPolarHBondContact CD1-O 3.43Å; I128-D179 PolarHBondContact N-O 2.61Å; I128-V181 HydrophobicContact CD1-CB 4.18Å; I128-V181 HydrophobicContact CD1-CG1 3.46Å; I128-V181 VanDerWaalsContact CD1-CG1 3.46Å; I128-V181 HydrophobicContact CD1-CG2 3.71Å; I128-V181 HydrophobicContact CG1-CG2 4.36Å
129L88Confident83.9Confident97 Ų9752.5 Ų52.551%0.50828%0.283SS..EExtended strand (participates in β ladder)trans-91.9-56.1177.4-62178.2000110.3R127 T137 A139R127-L129 PolarHBondContact O-N 2.76Å; L129-T137 PolarHBondContact N-O 2.8Å; L129-A139 HydrophobicContact CD1-CB 4.16Å; L129-A139 HydrophobicContact CD2-CB 4.26Å; L129-A139 HydrophobicContact CG-CB 4.24Å
130N88.4Confident84.2Confident99 Ų9945.3 Ų45.353%0.52925%0.252SS..EExtended strand (participates in β ladder)trans-139145-178.4-164.76.2000110.8A136 T137N130-A136 CarbonylContact O-C 3.59Å; N130-A136 WeakPolarHBondContact O-CA 3.45Å; N130-T137 WeakPolarHBondContact CB-OG1 3.47Å; N130-T137 PolarHBondContact N-O 2.95Å; N130-T137 PolarHBondContact N-OG1 3.45Å; N130-T137 PolarHBondContact O-N 3Å; N130-T137 PolarHBondContact O-OG1 2.68Å
131V86Confident84.3Confident21 Ų2143 Ų4313%0.12724%0.24CC..EExtended strand (participates in β ladder)trans-122.3123.4-179-173.20000109.2I128 A136 V171 L172 V175I128-V131 HydrophobicContact CG2-CG2 3.39Å; V131-A136 HydrophobicContact CG1-CB 4.45Å; V131-A136 HydrophobicContact CG2-CB 4.27Å; V131-V171 HydrophobicContact CG1-CB 4.35Å; V131-V171 HydrophobicContact CG1-CG1 3.92Å; V131-L172 HydrophobicContact CB-CD2 4.18Å; V131-L172 HydrophobicContact CG1-CD2 3.68Å; V131-L172 HydrophobicContact CG1-CG 4.17Å; V131-V175 HydrophobicContact CG2-CG1 4.14Å
132T86.9Confident84.5Confident51 Ų5142.2 Ų42.231%0.31323%0.23SC..  trans-107.6165.5168.8-53.30000108.8S134 Y135T132-S134 PolarHBondContact O-N 3.29Å; T132-Y135 WeakPolarHBondContact CA-O 3.31Å; T132-Y135 WeakPolarHBondContact CB-O 3.37Å; T132-Y135 HydrophobicContact CG2-CE1 4.21Å; T132-Y135 PolarHBondContact N-O 3.42Å
133A81.5Confident84.7Confident45 Ų4541.4 Ų41.437%0.37222%0.224SC..SBendtrans-56.8-31.5175.200000113.4L172A133-L172 HydrophobicContact CB-CD1 4.14Å
134S80.5Confident84.7Confident56 Ų5643.6 Ų43.639%0.39223%0.234SC..SBendtrans-101.4-28.7-174.1-55.90000114.8T132 K158T132-S134 PolarHBondContact O-N 3.29Å; S134-K158 PolarHBondContact O-N 3.48Å
135Y81.2Confident84.5Confident109 Ų10951.3 Ų51.343%0.42728%0.275SS..EExtended strand (participates in β ladder)trans-151.9154.3-176.362.7-92.1000111.4T132 T137 V155 I156T132-Y135 WeakPolarHBondContact CA-O 3.31Å; T132-Y135 WeakPolarHBondContact CB-O 3.37Å; T132-Y135 HydrophobicContact CG2-CE1 4.21Å; T132-Y135 PolarHBondContact N-O 3.42Å; Y135-T137 HydrophobicContact CD2-CG2 4.24Å; Y135-T137 HydrophobicContact CE2-CG2 4.15Å; Y135-V155 HydrophobicContact CD2-CG1 4.38Å; Y135-I156 CarbonylContact C-O 3.54Å; Y135-I156 WeakPolarHBondContact CA-O 3.14Å
136A80.3Confident84.3Confident0 Ų054.6 Ų54.60%029%0.286CS..EExtended strand (participates in β ladder)trans-119.5130.9171.400000110.2I128 N130 V131 V155 I156 V171I128-A136 HydrophobicContact CG2-CB 4.37Å; N130-A136 CarbonylContact O-C 3.59Å; N130-A136 WeakPolarHBondContact O-CA 3.45Å; V131-A136 HydrophobicContact CG1-CB 4.45Å; V131-A136 HydrophobicContact CG2-CB 4.27Å; A136-V155 WeakPolarHBondContact O-CA 3.41Å; A136-I156 HydrophobicContact CB-CB 4.43Å; A136-I156 PolarHBondContact N-O 2.9Å; A136-I156 PolarHBondContact O-N 3.19Å; A136-V171 HydrophobicContact CB-CG1 3.92Å
137T86.1Confident84.2Confident39 Ų3958.7 Ų58.724%0.23931%0.313CS..EExtended strand (participates in β ladder)trans-87.7134.8173.360.40000109.4L129 N130 Y135L129-T137 PolarHBondContact N-O 2.8Å; N130-T137 WeakPolarHBondContact CB-OG1 3.47Å; N130-T137 PolarHBondContact N-O 2.95Å; N130-T137 PolarHBondContact N-OG1 3.45Å; N130-T137 PolarHBondContact O-N 3Å; N130-T137 PolarHBondContact O-OG1 2.68Å; Y135-T137 HydrophobicContact CD2-CG2 4.24Å; Y135-T137 HydrophobicContact CE2-CG2 4.15Å
138C84.5Confident83.9Confident1 Ų153.6 Ų53.61%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-133.2149.7-173.5-53.40000110.8C126 R127 I128 S153 G154 I156C126-C138 HydrophobicContact CB-CB 4.07Å; R127-C138 CarbonylContact O-C 3.56Å; R127-C138 VanDerWaalsContact O-CA 3.23Å; R127-C138 WeakPolarHBondContact O-CA 3.29Å; I128-C138 VanDerWaalsContact CG1-SG 3.58Å; C138-S153 CarbonylContact O-C 3.53Å; C138-S153 WeakPolarHBondContact O-CA 3.29Å; C138-G154 PolarHBondContact N-O 3.14Å; C138-G154 PolarHBondContact O-N 2.91Å; C138-I156 WeakPolarHBondContact SG-CD1 3.44Å
139A87Confident83.3Confident13 Ų1356.6 Ų56.611%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-105122.6167.300000109.3C126 R127 L129 L141 P151 Y152C126-A139 CarbonylContact C-O 3.57Å; C126-A139 WeakPolarHBondContact CA-O 3.45Å; R127-A139 PolarHBondContact N-O 2.87Å; R127-A139 PolarHBondContact O-N 3.31Å; L129-A139 HydrophobicContact CD1-CB 4.16Å; L129-A139 HydrophobicContact CD2-CB 4.26Å; L129-A139 HydrophobicContact CG-CB 4.24Å; A139-L141 PolarHBondContact O-N 2.87Å; A139-P151 HydrophobicContact CB-CB 4.5Å; A139-Y152 CarbonylContact C-O 3.47Å; A139-Y152 WeakPolarHBondContact CA-O 3.31Å
140I85.3Confident82.7Confident0 Ų057.3 Ų57.30%032%0.316CS..EExtended strand (participates in β ladder)trans-74120.1172.4-62.9159.7000107.6V124 C126 V143 Y152 C198V124-I140 HydrophobicContact CB-CG2 4.04Å; V124-I140 HydrophobicContact CG1-CG2 4.17Å; C126-I140 VanDerWaalsContact SG-CG1 3.6Å; I140-V143 HydrophobicContact CG2-CG2 4.37Å; I140-Y152 PolarHBondContact N-O 3.2Å; I140-C198 HydrophobicContact CD1-CB 4.21Å; I140-C198 VanDerWaalsContact CD1-SG 3.54Å
141L85.7Confident82.1Confident74 Ų7456.9 Ų56.939%0.38732%0.318SS..EExtended strand (participates in β ladder)trans-97.7-36.9-179.6-60.6179.3000111.7T125 R127 A139 V148T125-L141 PolarHBondContact O-N 2.79Å; R127-L141 HydrophobicContact CB-CD1 3.87Å; R127-L141 HydrophobicContact CB-CG 4.26Å; A139-L141 PolarHBondContact O-N 2.87Å; L141-V148 PolarHBondContact O-N 2.84Å
142A84.7Confident81.9Confident18 Ų1856.7 Ų56.715%0.14932%0.316CS..EExtended strand (participates in β ladder)trans-143.1143.7-177.400000111V124 T125 K146V124-A142 CarbonylContact C-O 3.54Å; V124-A142 WeakPolarHBondContact CA-O 3.46Å; T125-A142 PolarHBondContact N-O 2.7Å; T125-A142 PolarHBondContact O-N 2.91Å; A142-K146 CarbonylContact C-O 3.53Å; A142-K146 VanDerWaalsContact CA-O 3.28Å; A142-K146 WeakPolarHBondContact CA-O 3.31Å; A142-K146 WeakPolarHBondContact CB-O 3.46Å
143V84.6Confident81.7Confident9 Ų956.7 Ų56.76%0.05532%0.318CS..EExtended strand (participates in β ladder)trans-106.6121.5168.8-178.90000106.5P118 V124 I140 N145 K146 V148P118-V143 HydrophobicContact CB-CG2 4.06Å; V124-V143 HydrophobicContact CG1-CB 4.48Å; V124-V143 HydrophobicContact CG1-CG1 4.38Å; V124-V143 HydrophobicContact CG1-CG2 4.03Å; I140-V143 HydrophobicContact CG2-CG2 4.37Å; V143-N145 PolarHBondContact O-N 2.89Å; V143-N145 VanDerWaalsContact O-N 3.15Å; V143-K146 PolarHBondContact N-O 2.89Å; V143-K146 PolarHBondContact O-N 3.03Å; V143-V148 HydrophobicContact CB-CG2 4.42Å; V143-V148 HydrophobicContact CG2-CG2 3.67Å
144M82Confident81.6Confident107 Ų10754.7 Ų54.753%0.52730%0.301SS..THydrogen-bonded Turntrans54.1-116.7-172.6-58.1-70.4-65.500110.9L123L123-M144 HydrophobicContact CB-SD 3.85Å; L123-M144 HydrophobicContact CG-SD 4.44Å; L123-M144 PolarHBondContact O-N 3.16Å
145N79.6Confident81.6Confident162 Ų16253.2 Ų53.287%0.86629%0.29SS*.THydrogen-bonded Turntrans-102.97.2-179-64.5-13.7000113.1V143V143-N145 PolarHBondContact O-N 2.89Å; V143-N145 VanDerWaalsContact O-N 3.15Å
146K81.3Confident81.6Confident114 Ų11448.1 Ų48.150%0.49627%0.27SS..EExtended strand (participates in β ladder)trans-113.5125.8-176.3-67.6175.8-178.7-178.10110.3D116 A142 V143D116-K146 WeakPolarHBondContact OD2-CD 3.42Å; D116-K146 WeakPolarHBondContact OD2-CE 3.37Å; D116-K146 IonicContact OD2-NZ 2.74Å; D116-K146 PolarHBondContact OD2-NZ 3.25Å; A142-K146 CarbonylContact C-O 3.53Å; A142-K146 VanDerWaalsContact CA-O 3.28Å; A142-K146 WeakPolarHBondContact CA-O 3.31Å; A142-K146 WeakPolarHBondContact CB-O 3.46Å; V143-K146 PolarHBondContact N-O 2.89Å; V143-K146 PolarHBondContact O-N 3.03Å
147P82.6Confident81.3Confident88 Ų8852.6 Ų52.657%0.57129%0.287SS*.EExtended strand (participates in β ladder)trans-64.2146.5171.529.7-33.6000109.1S113S113-P147 WeakPolarHBondContact CB-O 3.37Å; S113-P147 PolarHBondContact OG-O 2.72Å
148V79.9Confident80.6Confident22 Ų2254.9 Ų54.913%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-94.4132.8172.9-1700000108.2L141 V143 K150 Y152L141-V148 PolarHBondContact O-N 2.84Å; V143-V148 HydrophobicContact CB-CG2 4.42Å; V143-V148 HydrophobicContact CG2-CG2 3.67Å; V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 WeakPolarHBondContact CG1-O 3.48Å; V148-K150 PolarHBondContact O-N 3.15Å; V148-Y152 HydrophobicContact CB-CE2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 3.83Å; V148-Y152 HydrophobicContact CG1-CE2 3.34Å; V148-Y152 HydrophobicContact CG2-CD2 4.39Å; V148-Y152 HydrophobicContact CG2-CE2 4.3Å
149S72.9Confident79.9Confident64 Ų6458.7 Ų58.745%0.44831%0.311SS..EExtended strand (participates in β ladder)trans-62.2-37.1177.6-176.50000112.3
150K75.8Confident78.8Confident111 Ų11159.8 Ų59.848%0.48332%0.315SS..EExtended strand (participates in β ladder)trans-110.7128.2178.9-65.6169.8-172.7153.30109.8V148 Y152V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 WeakPolarHBondContact CG1-O 3.48Å; V148-K150 PolarHBondContact O-N 3.15Å; K150-Y152 PolarHBondContact O-N 3.12Å
151P75.2Confident77.6Confident90 Ų9060.7 Ų60.758%0.58432%0.321SS*.EExtended strand (participates in β ladder)trans-67.6122.7176.727.8-33.2000110A139A139-P151 HydrophobicContact CB-CB 4.5Å
152Y81.9Confident76.4Confident18 Ų1858.8 Ų58.87%0.07131%0.312CS..EExtended strand (participates in β ladder)trans-86.3146.2169.1-60.5-65000109.9P118 A139 I140 V148 K150 I196P118-Y152 VanDerWaalsContact CD-CE2 3.44Å; P118-Y152 HydrophobicContact CG-CD2 4.02Å; P118-Y152 HydrophobicContact CG-CE2 4.24Å; A139-Y152 CarbonylContact C-O 3.47Å; A139-Y152 WeakPolarHBondContact CA-O 3.31Å; I140-Y152 PolarHBondContact N-O 3.2Å; V148-Y152 HydrophobicContact CB-CE2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 3.83Å; V148-Y152 HydrophobicContact CG1-CE2 3.34Å; V148-Y152 HydrophobicContact CG2-CD2 4.39Å; V148-Y152 HydrophobicContact CG2-CE2 4.3Å; K150-Y152 PolarHBondContact O-N 3.12Å; Y152-I196 HydrophobicContact CD1-CB 3.98Å; Y152-I196 HydrophobicContact CD1-CD1 3.46Å; Y152-I196 VanDerWaalsContact CD1-CD1 3.46Å; Y152-I196 HydrophobicContact CD1-CG1 3.8Å; Y152-I196 HydrophobicContact CD2-CD1 4.35Å; Y152-I196 HydrophobicContact CE1-CD1 3.27Å; Y152-I196 HydrophobicContact CE1-CG1 3.93Å; Y152-I196 HydrophobicContact CE2-CD1 4.17Å; Y152-I196 HydrophobicContact CG-CB 4.36Å; Y152-I196 HydrophobicContact CG-CD1 4.02Å
153S82.3Confident75.2Confident51 Ų5164.5 Ų64.536%0.35735%0.345SS..EExtended strand (participates in β ladder)trans-99.6115.7-177.1-172.80000110.8C138 R197C138-S153 CarbonylContact O-C 3.53Å; C138-S153 WeakPolarHBondContact O-CA 3.29Å; S153-R197 VanDerWaalsContact O-CA 3.31Å; S153-R197 WeakPolarHBondContact O-CA 3.25Å
154G80.9Confident73.8Confident3 Ų373.1 Ų73.13%0.03138%0.382CS..EExtended strand (participates in β ladder)trans-101.9157.5174.600000112.6C138 C198C138-G154 PolarHBondContact N-O 3.14Å; C138-G154 PolarHBondContact O-N 2.91Å; G154-C198 CarbonylContact C-O 3.58Å; G154-C198 WeakPolarHBondContact CA-O 3.35Å
155V80.8Confident72.7Confident24 Ų2476.1 Ų76.115%0.14539%0.388CS..EExtended strand (participates in β ladder)trans-125.1127.3170.4-177.80000107.9Y135 A136 R157 C198 E199Y135-V155 HydrophobicContact CD2-CG1 4.38Å; A136-V155 WeakPolarHBondContact O-CA 3.41Å; V155-R157 HydrophobicContact CG1-CG 4.17Å; V155-C198 PolarHBondContact N-O 2.98Å; V155-E199 CarbonylContact O-C 3.44Å; V155-E199 VanDerWaalsContact O-C 3.28Å
156I79.6Confident71.9Confident3 Ų375.1 Ų75.12%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-104.1119.2173.3-56.5176.8000106.9Y135 A136 C138 T161 V181 C201 I203Y135-I156 CarbonylContact C-O 3.54Å; Y135-I156 WeakPolarHBondContact CA-O 3.14Å; A136-I156 HydrophobicContact CB-CB 4.43Å; A136-I156 PolarHBondContact N-O 2.9Å; A136-I156 PolarHBondContact O-N 3.19Å; C138-I156 WeakPolarHBondContact SG-CD1 3.44Å; I156-T161 HydrophobicContact CG2-CG2 3.54Å; I156-V181 HydrophobicContact CD1-CG2 4.08Å; I156-C201 HydrophobicContact CG1-CB 3.97Å; I156-I203 HydrophobicContact CD1-CD1 4.5Å; I156-I203 HydrophobicContact CG2-CD1 4.4Å
157R75.3Confident70.6Confident94 Ų9479 Ų7936%0.35540%0.396SS..EExtended strand (participates in β ladder)trans-100.5152.3178.1-53.2-172.8-176-168.34.3111V155 E159 D160 E199V155-R157 HydrophobicContact CG1-CG 4.17Å; R157-E159 HydrophobicContact CB-CG 3.96Å; R157-E159 WeakPolarHBondContact CB-OE1 3.46Å; R157-E159 WeakPolarHBondContact CB-OE2 3.25Å; R157-E159 WeakPolarHBondContact CD-OE1 3.39Å; R157-E159 IonicContact NH1-OE1 2.86Å; R157-E159 PolarHBondContact O-N 2.81Å; R157-D160 PolarHBondContact O-N 2.86Å; R157-D160 VanDerWaalsContact O-N 3.14Å; R157-E199 IonicContact CZ-OE2 3.88Å; R157-E199 IonicContact NH2-OE2 3.69Å; R157-E199 PolarHBondContact NH2-OE2 3.27Å
158K71.1Confident69.4Low86 Ų8681.2 Ų81.237%0.37440%0.398SS..Hα-helixtrans-55.2-36.9-178.862175.7-177.71770112.6S134 D160 T161 V171S134-K158 PolarHBondContact O-N 3.48Å; K158-D160 PolarHBondContact O-N 3.48Å; K158-T161 PolarHBondContact O-N 2.9Å; K158-T161 PolarHBondContact O-OG1 3.17Å; K158-V171 HydrophobicContact CB-CG2 3.88Å
159E69.5Low68.5Low81 Ų8180.5 Ų80.538%0.37939%0.394SS..Hα-helixtrans-61.5-24.9-178.152.5-93.7-145.400113.8R157R157-E159 HydrophobicContact CB-CG 3.96Å; R157-E159 WeakPolarHBondContact CB-OE1 3.46Å; R157-E159 WeakPolarHBondContact CB-OE2 3.25Å; R157-E159 WeakPolarHBondContact CD-OE1 3.39Å; R157-E159 IonicContact NH1-OE1 2.86Å; R157-E159 PolarHBondContact O-N 2.81Å
160D64.6Low68.2Low36 Ų3681.1 Ų81.119%0.19339%0.393CS..Hα-helixtrans-97.4-14.3-177.3-52.5-42.4000113.1R157 K158 E200R157-D160 PolarHBondContact O-N 2.86Å; R157-D160 VanDerWaalsContact O-N 3.14Å; K158-D160 PolarHBondContact O-N 3.48Å; D160-E200 WeakPolarHBondContact OD2-CG 3.43Å
161T59.8Low68Low20 Ų2075.9 Ų75.912%0.12337%0.37CS..Hα-helixtrans-79.8-25.6-17354.90000114.2I156 K158 I203I156-T161 HydrophobicContact CG2-CG2 3.54Å; K158-T161 PolarHBondContact O-N 2.9Å; K158-T161 PolarHBondContact O-OG1 3.17Å; T161-I203 HydrophobicContact CG2-CD1 4.19Å
162V60.1Low67.9Low33 Ų3375.9 Ų75.920%0.237%0.365CS..  trans-137.4108.2-171.7-171.90000111.8K164 R165 A169 F174V162-K164 PolarHBondContact O-N 3.29Å; V162-R165 HydrophobicContact CG1-CB 4.4Å; V162-A169 HydrophobicContact CB-CB 4.31Å; V162-A169 HydrophobicContact CG2-CB 3.61Å; V162-F174 HydrophobicContact CG2-CE2 4.44Å
163T60Low67.5Low138 Ų13882.2 Ų82.285%0.84739%0.393SS*.SBendtrans-61.6-27175.2-49.20000112.9
164K55.5Low66.7Low191 Ų19185 Ų8583%0.8340%0.399SS*.SBendtrans-107.9-17.5-166.2-64.7-177.2179.8177.10116.3V162V162-K164 PolarHBondContact O-N 3.29Å
165R58Low66.2Low170 Ų17085.2 Ų85.264%0.64240%0.399SS*.  trans-153.576.4179-67.7-168.9-175.8177.64.5112.3V162 E167V162-R165 HydrophobicContact CG1-CB 4.4Å; R165-E167 PolarHBondContact O-N 3.36Å
166K61.9Low66Low140 Ų14084.7 Ų84.761%0.60940%0.399SS*.THydrogen-bonded Turntrans-57.2-30.3-178.2-64.8-176.6177.5-175.70114.4
167E54Low66.3Low197 Ų19788.8 Ų88.892%0.92143%0.428SS*.THydrogen-bonded Turntrans-92.9-16.7-170.1-59.3-143.114900115.3R165R165-E167 PolarHBondContact O-N 3.36Å
168Q59Low66.7Low133 Ų13385.8 Ų85.862%0.62143%0.426SS*.THydrogen-bonded Turntrans-107.20.1-175.6-67179.25.800113.7N170Q168-N170 PolarHBondContact O-N 2.95Å
169A60.4Low67.2Low7 Ų782.1 Ų82.16%0.05841%0.41CS..  trans-85.5103.2-176.300000110.8V162 F174V162-A169 HydrophobicContact CB-CB 4.31Å; V162-A169 HydrophobicContact CG2-CB 3.61Å; A169-F174 HydrophobicContact CB-CE2 4.11Å
170N67Low67.9Low78 Ų7880.1 Ų80.142%0.41740%0.402SS..  trans-83.7119.4163.2-70.8-16000108.1Q168 L172 K173 F174Q168-N170 PolarHBondContact O-N 2.95Å; N170-L172 PolarHBondContact O-N 2.81Å; N170-L172 VanDerWaalsContact O-N 3.13Å; N170-K173 HydrophobicContact CB-CD 4.27Å; N170-K173 HydrophobicContact CB-CG 4.13Å; N170-K173 WeakPolarHBondContact O-CB 3.2Å; N170-K173 PolarHBondContact O-N 2.9Å; N170-F174 WeakPolarHBondContact O-CD2 3.42Å
171V70.5Confident68.6Low1 Ų179 Ų791%0.00640%0.396CS..Hα-helixtrans-54.8-35178.9-176.10000111.3V131 A136 K158 K173 F174 V175V131-V171 HydrophobicContact CG1-CB 4.35Å; V131-V171 HydrophobicContact CG1-CG1 3.92Å; A136-V171 HydrophobicContact CB-CG1 3.92Å; K158-V171 HydrophobicContact CB-CG2 3.88Å; V171-K173 PolarHBondContact O-N 2.93Å; V171-F174 PolarHBondContact O-N 2.86Å; V171-V175 HydrophobicContact CG1-CB 4.44Å; V171-V175 PolarHBondContact O-N 3.21Å; V171-V175 VanDerWaalsContact O-N 3.08Å
172L74.3Confident69.6Low89 Ų8982.2 Ų82.247%0.46641%0.412SS..Hα-helixtrans-54.8-23.4175.2-67.8164.5000114.8V131 A133 N170V131-L172 HydrophobicContact CB-CD2 4.18Å; V131-L172 HydrophobicContact CG1-CD2 3.68Å; V131-L172 HydrophobicContact CG1-CG 4.17Å; A133-L172 HydrophobicContact CB-CD1 4.14Å; N170-L172 PolarHBondContact O-N 2.81Å; N170-L172 VanDerWaalsContact O-N 3.13Å
173K71.9Confident70.5Confident151 Ų15180.8 Ų80.866%0.65740%0.403SS*.Hα-helixtrans-81.8-29.3178.6-69-179.6179.3177.40112.7N170 V171N170-K173 HydrophobicContact CB-CD 4.27Å; N170-K173 HydrophobicContact CB-CG 4.13Å; N170-K173 WeakPolarHBondContact O-CB 3.2Å; N170-K173 PolarHBondContact O-N 2.9Å; V171-K173 PolarHBondContact O-N 2.93Å
174F66.9Low71.4Confident110 Ų11078.3 Ų78.348%0.48238%0.381SS..Hα-helixtrans-100.5-26.5-172.3-60.9-76.5000112.9V162 A169 N170 V171V162-F174 HydrophobicContact CG2-CE2 4.44Å; A169-F174 HydrophobicContact CB-CE2 4.11Å; N170-F174 WeakPolarHBondContact O-CD2 3.42Å; V171-F174 PolarHBondContact O-N 2.86Å
175V70.3Confident72.6Confident8 Ų869.2 Ų69.25%0.04834%0.342CS..  trans-137.3128-168.6177.40000110.8I128 V131 V171 I203I128-V175 HydrophobicContact CB-CG1 4.08Å; I128-V175 HydrophobicContact CD1-CB 4.48Å; I128-V175 HydrophobicContact CD1-CG1 3.15Å; I128-V175 HydrophobicContact CG1-CG1 3.46Å; I128-V175 VanDerWaalsContact CG1-CG1 3.46Å; I128-V175 HydrophobicContact CG2-CG1 3.96Å; V131-V175 HydrophobicContact CG2-CG1 4.14Å; V171-V175 HydrophobicContact CG1-CB 4.44Å; V171-V175 PolarHBondContact O-N 3.21Å; V171-V175 VanDerWaalsContact O-N 3.08Å; V175-I203 HydrophobicContact CG2-CD1 4.41Å
176G76.6Confident73.4Confident13 Ų1366 Ų6613%0.13433%0.334CS..  trans-98.8162.2169.300000112.8I128 D179I128-G176 WeakPolarHBondContact CG2-O 3.31Å; G176-D179 WeakPolarHBondContact CA-OD2 3.37Å; G176-D179 PolarHBondContact N-OD2 3.12Å; G176-D179 PolarHBondContact O-N 3.25Å
177S85.1Confident74Confident89 Ų8963.2 Ų63.262%0.62232%0.322SS*.THydrogen-bonded Turntrans-65.7136.2168.349.80000110.2D179S177-D179 VanDerWaalsContact C-N 3.31Å; S177-D179 PolarHBondContact O-N 3.15Å
178G84.7Confident74.9Confident30 Ų3057.1 Ų57.131%0.30929%0.294SS..THydrogen-bonded Turntrans86.2-9.2-178.500000115.5I128I128-G178 WeakPolarHBondContact O-CA 3.31Å; I128-G178 PolarHBondContact O-N 3.49Å
179D81.6Confident75.1Confident9 Ų955.5 Ų55.55%0.04829%0.285CS..  trans-67.5149.2175.6-68.1-18000110.9R127 I128 G176 S177 V209 G212R127-D179 WeakPolarHBondContact CA-O 3.45Å; I128-D179 HydrophobicContact CD1-CB 3.97Å; I128-D179 VanDerWaalsContact CD1-O 3.3Å; I128-D179 WeakPolarHBondContact CD1-O 3.43Å; I128-D179 PolarHBondContact N-O 2.61Å; G176-D179 WeakPolarHBondContact CA-OD2 3.37Å; G176-D179 PolarHBondContact N-OD2 3.12Å; G176-D179 PolarHBondContact O-N 3.25Å; S177-D179 VanDerWaalsContact C-N 3.31Å; S177-D179 PolarHBondContact O-N 3.15Å; D179-V209 HydrophobicContact CB-CG1 3.88Å; D179-V209 HydrophobicContact CB-CG2 4.43Å; D179-G212 WeakPolarHBondContact OD1-CA 3.26Å
180I84.3Confident75.1Confident40 Ų4058.7 Ų58.721%0.20532%0.319CS..EExtended strand (participates in β ladder)trans-103.1123.2173.5-56.3-178.8000109.2T125 C126 I211T125-I180 HydrophobicContact CG2-CG2 3.48Å; T125-I180 VanDerWaalsContact CG2-CG2 3.48Å; C126-I180 CarbonylContact O-C 3.59Å; C126-I180 WeakPolarHBondContact O-CA 3.42Å; I180-I211 HydrophobicContact CD1-CB 3.96Å; I180-I211 HydrophobicContact CD1-CD1 3.96Å; I180-I211 HydrophobicContact CD1-CG1 4.23Å; I180-I211 HydrophobicContact CG1-CB 4.4Å; I180-I211 PolarHBondContact N-O 3.33Å
181V78.1Confident74.3Confident12 Ų1258.8 Ų58.87%0.07333%0.325CS..EExtended strand (participates in β ladder)trans-118.9145.9179.4-65.90000111.1C126 I128 I156C126-V181 HydrophobicContact CB-CG2 3.95Å; C126-V181 PolarHBondContact N-O 3.06Å; C126-V181 PolarHBondContact O-N 3.33Å; I128-V181 HydrophobicContact CD1-CB 4.18Å; I128-V181 HydrophobicContact CD1-CG1 3.46Å; I128-V181 VanDerWaalsContact CD1-CG1 3.46Å; I128-V181 HydrophobicContact CD1-CG2 3.71Å; I128-V181 HydrophobicContact CG1-CG2 4.36Å; I156-V181 HydrophobicContact CD1-CG2 4.08Å
182L82.3Confident73.2Confident88 Ų8864.4 Ų64.446%0.46136%0.364SS..EExtended strand (participates in β ladder)trans-92.8130.6168.2-171.470.7000108.3
183A77.2Confident71.8Confident2 Ų266.9 Ų66.92%0.01738%0.378CS..EExtended strand (participates in β ladder)trans-140.7158.7179.900000112.4L123 V124 C201L123-A183 WeakPolarHBondContact CA-O 3.42Å; V124-A183 HydrophobicContact CG2-CB 4.24Å; V124-A183 VanDerWaalsContact CG2-O 3.25Å; V124-A183 WeakPolarHBondContact CG2-O 3.44Å; V124-A183 PolarHBondContact N-O 3.13Å; V124-A183 PolarHBondContact O-N 3.27Å; A183-C201 HydrophobicContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-SG 3.52Å
184K80.4Confident70.7Confident86 Ų8669.5 Ų69.537%0.37438%0.384SS..EExtended strand (participates in β ladder)trans-107.5128.6174.9-172.2175.1-176.1172.30110.6G121 L123 H186 C201 C202G121-K184 WeakPolarHBondContact O-CE 3.25Å; L123-K184 HydrophobicContact CD2-CB 4.21Å; K184-H186 PolarHBondContact O-N 2.83Å; K184-C201 WeakPolarHBondContact O-CA 3.48Å; K184-C202 PolarHBondContact N-O 3.45Å; K184-C202 PolarHBondContact O-N 3.22Å
185V79.3Confident69.6Low1 Ų166 Ų661%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-71115.8179.3-1790000110P118 G121 S122 V124 C198P118-V185 HydrophobicContact CB-CG2 4.17Å; G121-V185 PolarHBondContact N-O 2.84Å; S122-V185 PolarHBondContact O-N 2.88Å; S122-V185 VanDerWaalsContact O-N 3.08Å; V124-V185 HydrophobicContact CB-CG2 4.41Å; V124-V185 HydrophobicContact CG1-CG2 3.62Å; V124-V185 HydrophobicContact CG2-CG2 3.82Å; V185-C198 HydrophobicContact CG1-CB 4.36Å
186H76.4Confident68.6Low103 Ų10366.2 Ų66.248%0.47738%0.375SS..EExtended strand (participates in β ladder)trans-96.9-45.9177.6-171.497.9000112.5I120 K184 E200I120-H186 VanDerWaalsContact CG2-O 3.29Å; I120-H186 WeakPolarHBondContact CG2-O 3.44Å; K184-H186 PolarHBondContact O-N 2.83Å; H186-E200 HydrophobicContact CB-CB 3.68Å; H186-E200 WeakPolarHBondContact CB-O 3.37Å; H186-E200 IonicContact CD2-OE2 2.84Å; H186-E200 PolarHBondContact CD2-OE2 2.8Å; H186-E200 IonicContact CG-OE2 3.61Å; H186-E200 PolarHBondContact N-O 2.86Å; H186-E200 IonicContact NE2-OE2 3.65Å
187K74.2Confident67.3Low81 Ų8171.1 Ų71.135%0.35239%0.39SS..EExtended strand (participates in β ladder)trans-123.8141.3174.4-80.7165.1-158.4157.50111.1F189 E200K187-F189 HydrophobicContact CB-CD2 4.18Å; K187-F189 HydrophobicContact CB-CE2 3.66Å; K187-F189 HydrophobicContact CB-CZ 4.32Å; K187-F189 HydrophobicContact CD-CE2 3.93Å; K187-F189 HydrophobicContact CD-CZ 3.97Å; K187-F189 HydrophobicContact CG-CE2 4.28Å; K187-E200 WeakPolarHBondContact CD-OE2 3.17Å; K187-E200 WeakPolarHBondContact CE-OE2 3.42Å; K187-E200 IonicContact NZ-OE1 2.66Å; K187-E200 PolarHBondContact NZ-OE1 2.86Å; K187-E200 IonicContact NZ-OE2 2.96Å; K187-E200 PolarHBondContact NZ-OE2 3.19Å
188M72.1Confident65.6Low68 Ų6866.9 Ų66.934%0.33536%0.36SS..EExtended strand (participates in β ladder)trans-112.4114.8171.5-170.9-164.8164.600107.3L117 I120 I196L117-M188 HydrophobicContact CD1-CE 3.96Å; L117-M188 HydrophobicContact CD2-CE 3.69Å; L117-M188 HydrophobicContact CD2-SD 4.08Å; L117-M188 HydrophobicContact CG-CE 3.93Å; L117-M188 HydrophobicContact CG-SD 4.49Å; I120-M188 HydrophobicContact CG1-CB 4.39Å; M188-I196 HydrophobicContact CE-CB 4.46Å; M188-I196 HydrophobicContact CE-CD1 3.9Å; M188-I196 HydrophobicContact CE-CG1 3.78Å; M188-I196 HydrophobicContact CE-CG2 3.92Å; M188-I196 HydrophobicContact CG-CG2 3.49Å; M188-I196 VanDerWaalsContact CG-CG2 3.49Å; M188-I196 HydrophobicContact SD-CG2 4.39Å
189F64.2Low63.9Low99 Ų9966.9 Ų66.943%0.43435%0.352SS..EExtended strand (participates in β ladder)trans-103.5118.5170.9-69.3-80.2000109.1K187 R197 E199K187-F189 HydrophobicContact CB-CD2 4.18Å; K187-F189 HydrophobicContact CB-CE2 3.66Å; K187-F189 HydrophobicContact CB-CZ 4.32Å; K187-F189 HydrophobicContact CD-CE2 3.93Å; K187-F189 HydrophobicContact CD-CZ 3.97Å; K187-F189 HydrophobicContact CG-CE2 4.28Å; F189-R197 PolarHBondContact N-O 3.34Å; F189-R197 VanDerWaalsContact N-O 3.13Å; F189-R197 PolarHBondContact O-N 2.82Å; F189-E199 HydrophobicContact CD2-CB 3.97Å; F189-E199 HydrophobicContact CD2-CG 3.79Å; F189-E199 HydrophobicContact CE2-CB 4.07Å; F189-E199 HydrophobicContact CE2-CG 4.3Å
190G60.5Low62.3Low75 Ų7568.2 Ų68.277%0.77336%0.358SS*.EExtended strand (participates in β ladder)trans-77.6119.7171.900000109.9
191C48.9Very low60.7Low80 Ų8066.5 Ų66.554%0.54135%0.349SS..EExtended strand (participates in β ladder)trans-130.2134.1162.8-153.60000106.3
192S48.3Very low59.3Low119 Ų11968.4 Ų68.483%0.83236%0.363SS*.THydrogen-bonded Turntrans-39136.8-167.1-58.10000114.9
193D44.9Very low57.9Low141 Ų14166.3 Ų66.375%0.75435%0.352SS*.THydrogen-bonded Turntrans40.397.8172.1-78.8-5.6000116.5
194R49.4Very low56.6Low206 Ų20672.4 Ų72.478%0.77738%0.38SS*.THydrogen-bonded Turntrans89.84.1159-47.4169.6-142.1-169.43.8117.4
195A43.5Very low55.1Low35 Ų3576.2 Ų76.229%0.28940%0.399SS..EExtended strand (participates in β ladder)trans-123.781.6174.200000111.4R197A195-R197 PolarHBondContact O-N 2.83Å; A195-R197 VanDerWaalsContact O-N 3.11Å
196I49.6Very low53.5Low14 Ų1484.6 Ų84.67%0.07244%0.438CS..EExtended strand (participates in β ladder)trans-68.7107.8159.6-59.2167.9000106.2L117 P118 Y152 M188 C198L117-I196 HydrophobicContact CD1-CD1 3.21Å; L117-I196 HydrophobicContact CD1-CG1 4.26Å; L117-I196 HydrophobicContact CG-CD1 3.93Å; P118-I196 HydrophobicContact CG-CD1 3.78Å; P118-I196 HydrophobicContact CG-CG2 4.11Å; Y152-I196 HydrophobicContact CD1-CB 3.98Å; Y152-I196 HydrophobicContact CD1-CD1 3.46Å; Y152-I196 VanDerWaalsContact CD1-CD1 3.46Å; Y152-I196 HydrophobicContact CD1-CG1 3.8Å; Y152-I196 HydrophobicContact CD2-CD1 4.35Å; Y152-I196 HydrophobicContact CE1-CD1 3.27Å; Y152-I196 HydrophobicContact CE1-CG1 3.93Å; Y152-I196 HydrophobicContact CE2-CD1 4.17Å; Y152-I196 HydrophobicContact CG-CB 4.36Å; Y152-I196 HydrophobicContact CG-CD1 4.02Å; M188-I196 HydrophobicContact CE-CB 4.46Å; M188-I196 HydrophobicContact CE-CD1 3.9Å; M188-I196 HydrophobicContact CE-CG1 3.78Å; M188-I196 HydrophobicContact CE-CG2 3.92Å; M188-I196 HydrophobicContact CG-CG2 3.49Å; M188-I196 VanDerWaalsContact CG-CG2 3.49Å; M188-I196 HydrophobicContact SD-CG2 4.39Å; I196-C198 PolarHBondContact O-N 3.37Å
197R48.8Very low52.1Low115 Ų11590.5 Ų90.543%0.43446%0.456SS..EExtended strand (participates in β ladder)trans-83.3106170.3-67-168.7-155176.65.4108.9S153 F189 A195 E199S153-R197 VanDerWaalsContact O-CA 3.31Å; S153-R197 WeakPolarHBondContact O-CA 3.25Å; F189-R197 PolarHBondContact N-O 3.34Å; F189-R197 VanDerWaalsContact N-O 3.13Å; F189-R197 PolarHBondContact O-N 2.82Å; A195-R197 PolarHBondContact O-N 2.83Å; A195-R197 VanDerWaalsContact O-N 3.11Å; R197-E199 HydrophobicContact CB-CG 3.78Å; R197-E199 WeakPolarHBondContact CD-OE1 3.35Å; R197-E199 IonicContact NH1-OE1 3.71Å; R197-E199 PolarHBondContact O-N 2.91Å
198C49.7Very low50.9Low0 Ų093.4 Ų93.40%047%0.469CS..EExtended strand (participates in β ladder)trans-77.296.9159.5-62.40000106.4I140 G154 V155 V185 I196 E200I140-C198 HydrophobicContact CD1-CB 4.21Å; I140-C198 VanDerWaalsContact CD1-SG 3.54Å; G154-C198 CarbonylContact C-O 3.58Å; G154-C198 WeakPolarHBondContact CA-O 3.35Å; V155-C198 PolarHBondContact N-O 2.98Å; V185-C198 HydrophobicContact CG1-CB 4.36Å; I196-C198 PolarHBondContact O-N 3.37Å; C198-E200 VanDerWaalsContact C-N 3.33Å
199E48.6Very low50Low30 Ų3092.1 Ų92.114%0.1447%0.465CS..EExtended strand (participates in β ladder)trans-87.3-4.9-176-66.8-158.2167.500113.8V155 R157 F189 R197V155-E199 CarbonylContact O-C 3.44Å; V155-E199 VanDerWaalsContact O-C 3.28Å; R157-E199 IonicContact CZ-OE2 3.88Å; R157-E199 IonicContact NH2-OE2 3.69Å; R157-E199 PolarHBondContact NH2-OE2 3.27Å; F189-E199 HydrophobicContact CD2-CB 3.97Å; F189-E199 HydrophobicContact CD2-CG 3.79Å; F189-E199 HydrophobicContact CE2-CB 4.07Å; F189-E199 HydrophobicContact CE2-CG 4.3Å; R197-E199 HydrophobicContact CB-CG 3.78Å; R197-E199 WeakPolarHBondContact CD-OE1 3.35Å; R197-E199 IonicContact NH1-OE1 3.71Å; R197-E199 PolarHBondContact O-N 2.91Å
200E47.5Very low49.5Very low38 Ų3891.4 Ų91.418%0.17848%0.477CS..EExtended strand (participates in β ladder)trans-143104.9-179.4-68.4179.1-178.400107.6D160 H186 K187 C198D160-E200 WeakPolarHBondContact OD2-CG 3.43Å; H186-E200 HydrophobicContact CB-CB 3.68Å; H186-E200 WeakPolarHBondContact CB-O 3.37Å; H186-E200 IonicContact CD2-OE2 2.84Å; H186-E200 PolarHBondContact CD2-OE2 2.8Å; H186-E200 IonicContact CG-OE2 3.61Å; H186-E200 PolarHBondContact N-O 2.86Å; H186-E200 IonicContact NE2-OE2 3.65Å; K187-E200 WeakPolarHBondContact CD-OE2 3.17Å; K187-E200 WeakPolarHBondContact CE-OE2 3.42Å; K187-E200 IonicContact NZ-OE1 2.66Å; K187-E200 PolarHBondContact NZ-OE1 2.86Å; K187-E200 IonicContact NZ-OE2 2.96Å; K187-E200 PolarHBondContact NZ-OE2 3.19Å; C198-E200 VanDerWaalsContact C-N 3.33Å
201C50.1Low49.4Very low3 Ų393.4 Ų93.42%0.0247%0.469CS..EExtended strand (participates in β ladder)trans-12195-180-101.10000107.2I156 A183 K184 I203I156-C201 HydrophobicContact CG1-CB 3.97Å; A183-C201 HydrophobicContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-CB 3.49Å; A183-C201 VanDerWaalsContact CB-SG 3.52Å; K184-C201 WeakPolarHBondContact O-CA 3.48Å; C201-I203 PolarHBondContact O-N 2.89Å; C201-I203 VanDerWaalsContact O-N 3.16Å
202C48.8Very low49.7Very low52 Ų5290.5 Ų90.535%0.35145%0.453SS..EExtended strand (participates in β ladder)trans-64.7118.8174-67.50000107.8K184 E204K184-C202 PolarHBondContact N-O 3.45Å; K184-C202 PolarHBondContact O-N 3.22Å; C202-E204 PolarHBondContact O-N 3.14Å
203I53.3Low49.9Very low45 Ų4591.1 Ų91.123%0.23146%0.457CS..  trans-78.699.8168.2-56.4173.8000104.7I156 T161 V175 C201 E205I156-I203 HydrophobicContact CD1-CD1 4.5Å; I156-I203 HydrophobicContact CG2-CD1 4.4Å; T161-I203 HydrophobicContact CG2-CD1 4.19Å; V175-I203 HydrophobicContact CG2-CD1 4.41Å; C201-I203 PolarHBondContact O-N 2.89Å; C201-I203 VanDerWaalsContact O-N 3.16Å; I203-E205 PolarHBondContact O-N 3.1Å; I203-E205 VanDerWaalsContact O-N 3.08Å
204E49.7Very low50.3Low130 Ų13093.1 Ų93.161%0.60745%0.454SS*.  trans-66.5109.8165.9-81.9-177.7171.900107.1C202 E206C202-E204 PolarHBondContact O-N 3.14Å; E204-E206 PolarHBondContact O-N 2.86Å
205E49.8Very low50.1Low166 Ų16686.9 Ų86.978%0.77645%0.447SS*.THydrogen-bonded Turntrans-65.873174-77.6-169.9141.100110.3I203I203-E205 PolarHBondContact O-N 3.1Å; I203-E205 VanDerWaalsContact O-N 3.08Å
206E46.5Very low49.9Very low177 Ų17793.1 Ų93.183%0.82747%0.474SS*.THydrogen-bonded Turntrans-126.6-24.7164.8-71-144.1147.100114.2E204E204-E206 PolarHBondContact O-N 2.86Å
207R45.2Very low49.4Very low226 Ų22696.4 Ų96.485%0.85350%0.504SS*.SBendtrans-144.1100.8-179.9-68.4-171.8-177.5-154.3-1.4113.9
208K48.9Very low49Very low142 Ų14296.5 Ų96.562%0.61751%0.512SS*.  trans-20.9133.6162.3-63.2161.9-176.3174.80114.7A210 L218K208-A210 PolarHBondContact O-N 3.32Å; K208-L218 WeakPolarHBondContact CE-O 3.24Å; K208-L218 PolarHBondContact NZ-O 3.08Å
209V53.6Low48.4Very low41 Ų41107.6 Ų107.625%0.24855%0.554CS.*  trans-16.9102.4157.7-179.50000111.8D179 I211D179-V209 HydrophobicContact CB-CG1 3.88Å; D179-V209 HydrophobicContact CB-CG2 4.43Å; V209-I211 VanDerWaalsContact C-N 3.31Å
210A55Low47.8Very low85 Ų85110.7 Ų110.770%0.70258%0.579SS**SBendtrans-73.2-29.6-175.900000111.7K208K208-A210 PolarHBondContact O-N 3.32Å
211I58.2Low47.5Very low116 Ų116116.5 Ų116.560%0.59561%0.61SS**SBendtrans-145.4110.3-178.7-50.6179000106.6I180 V209I180-I211 HydrophobicContact CD1-CB 3.96Å; I180-I211 HydrophobicContact CD1-CD1 3.96Å; I180-I211 HydrophobicContact CD1-CG1 4.23Å; I180-I211 HydrophobicContact CG1-CB 4.4Å; I180-I211 PolarHBondContact N-O 3.33Å; V209-I211 VanDerWaalsContact C-N 3.31Å
212G54.2Low47Very low20 Ų20121.9 Ų121.921%0.20665%0.648CS.*  trans-172.8140.3-179.900000108.2D179 R214 A215D179-G212 WeakPolarHBondContact OD1-CA 3.26Å; G212-R214 PolarHBondContact O-N 3.46Å; G212-A215 PolarHBondContact O-N 3.19Å
213S53Low46.7Very low132 Ų132124.8 Ų124.892%0.92367%0.669SS**THydrogen-bonded Turntrans-61.9-9.9-179-41.30000112.5
214R52.9Low46.1Very low183 Ų183126 Ų12669%0.69169%0.692SS**THydrogen-bonded Turntrans-106.822.6179.9-74.2-175.6167.9173.3-1.8115.1G212 L216G212-R214 PolarHBondContact O-N 3.46Å; R214-L216 PolarHBondContact O-N 3.48Å
215A46.5Very low45.4Very low75 Ų75124.8 Ų124.862%0.6270%0.696SS**  trans-59.8-5.4178.700000115.8G212G212-A215 PolarHBondContact O-N 3.19Å
216L39.2Very low44.8Very low165 Ų165123.6 Ų123.686%0.86470%0.695SS**SBendtrans-101.192.4-179.9-73.8158.5000110.6R214R214-L216 PolarHBondContact O-N 3.48Å
217A38.5Very low44.6Very low84 Ų84122.1 Ų122.169%0.69469%0.692SS**SBendtrans-178.9-24.4148.100000116.5R219A217-R219 VanDerWaalsContact C-N 3.29Å; A217-R219 PolarHBondContact O-N 3.04Å
218L40.6Very low44.4Very low116 Ų116115.5 Ų115.561%0.60768%0.681SS**  trans-86.166.2-174-75.5169.9000112.6K208 L221K208-L218 WeakPolarHBondContact CE-O 3.24Å; K208-L218 PolarHBondContact NZ-O 3.08Å; L218-L221 HydrophobicContact CD2-CD1 4.48Å
219R36.5Very low44.2Very low234 Ų234118.5 Ų118.588%0.88369%0.69SS**SBendtrans-104.16.3167.4-112.7-174.9-173.8-161.81.9113.5A217A217-R219 VanDerWaalsContact C-N 3.29Å; A217-R219 PolarHBondContact O-N 3.04Å
220S36.3Very low43.8Very low94 Ų94121.9 Ų121.966%0.65771%0.71SS**SBendtrans-145.916.3-157.5-32.80000119.7
221L41.3Very low43.2Very low160 Ų160125.8 Ų125.884%0.83872%0.719SS**  trans-116.913.3178.4-84.7150.6000115L218L218-L221 HydrophobicContact CD2-CD1 4.48Å
222S39Very low43Very low116 Ų116123.6 Ų123.681%0.81173%0.726SS**  trans-100.266.9169.362.90000111.3
223S43.2Very low42.5Very low113 Ų113133 Ų13379%0.7978%0.78SS**  trans171.3125.1164.254.40000106.3
224G39.2Very low42Very low70 Ų70133.1 Ų133.172%0.72277%0.773SS**  cis-165.1-176.84.900000106.8
225P36.5Very low41.4Very low106 Ų106130.5 Ų130.569%0.68878%0.777SS**  trans-87.6170.1-170.739.1-35000112.3
226D36Very low41.1Very low141 Ų141133.6 Ų133.675%0.75479%0.786SS**  trans80152.4153.6-50.8-36000120.7
227D42.3Very low41.3Very low145 Ų145131.7 Ų131.778%0.77578%0.781SS**  trans98.274.9160.7-52.7-18.8000119.7
228S41.8Very low41.4Very low87 Ų87134.7 Ų134.761%0.60879%0.786SS**  50.2143.710476.60000123
229Y44.6Very low41.5Very low206 Ų206135.9 Ų135.981%0.80880%0.798SS**  trans80.8106.5152.9-67.3-71.2000121.5
230T45.7Very low41.8Very low111 Ų111128.9 Ų128.968%0.68179%0.792SS**  30.3126.3125.660.20000120.5
231N41.8Very low42.3Very low167 Ų167131.6 Ų131.689%0.89380%0.803SS**  -164.8129.8129.3-80.5-35000104.9
232G53.8Low42.4Very low70 Ų70129.3 Ų129.372%0.72280%0.8SS**  cis105.482.140.800000108.1
233T44.6Very low42.7Very low219 Ų219130.5 Ų130.5100%1.34480%0.799SS**  trans-159.10143.2-42.10000107.7

Retrieved 233 of 233 residues in 89.6 ms (Link to these results)