A0A077ZG30_TRITR Loading...

HSP20 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M50.9Low52Low250 Ų250148.6 Ų148.6100%1.23288%0.879SS**  098.40-73.4170.1155.100107.9
2S56.1Low52Low124 Ų124152.8 Ų152.887%0.86788%0.877SS**  trans-133.7114167.5-177.80000106.4
3L56.6Low51.6Low164 Ų164153.6 Ų153.686%0.85987%0.869SS**  trans-87.3148.4-176.1-84.7163000110.4
4Q45.4Very low51.2Low184 Ų184150.7 Ų150.786%0.8686%0.859SS**  trans-64.8158.8-174.1-65.1153.9-35.700113.8
5G49.2Very low51Low80 Ų80150.1 Ų150.183%0.82586%0.859SS**  trans-163102.1161.900000111
6T51.1Low50.4Low145 Ų145147.4 Ų147.489%0.8985%0.852SS**  trans-76.4146.5-176.145.70000112.3
7A56.3Low49.8Very low106 Ų106144.4 Ų144.488%0.87685%0.849SS**  trans-121.612216800000110.3
8S60Low49.2Very low117 Ų117145.3 Ų145.382%0.81885%0.847SS**PPolyproline II helixtrans-76.1143.5-174.754.50000113.7
9T54.5Low48.6Very low133 Ų133141.3 Ų141.382%0.81682%0.82SS**PPolyproline II helixtrans-69.8141.2170.147.10000112.7
10P56.8Low48.1Very low126 Ų126139.1 Ų139.182%0.81882%0.819SS**PPolyproline II helixtrans-82.2127.117131.5-30.1000111.6
11Y35.5Very low47.6Very low206 Ų206137.8 Ų137.881%0.80880%0.803SS**PPolyproline II helixtrans-73126.6167.4-178.3-98.6000109.5
12K51.7Low47Very low198 Ų198135 Ų13586%0.86179%0.785SS**PPolyproline II helixtrans-86.8116.5175-81.8-175.3175.4-176.30109.9
13E46.6Very low46.6Very low164 Ų164135.9 Ų135.977%0.76678%0.778SS**PPolyproline II helixtrans-69.6138167.8-72.4-177.1148.400111.3
14P46.3Very low45.7Very low113 Ų113135.2 Ų135.273%0.73477%0.768SS**  trans-83113.1163.331.4-28000109.5S16P14-S16 PolarHBondContact O-N 2.94Å
15V47.7Very low45.6Very low141 Ų141131 Ų13186%0.85576%0.757SS**  trans-67.698.1166.2-92.30000109.3A17V15-A17 PolarHBondContact O-N 2.8Å; V15-A17 VanDerWaalsContact O-N 3.07Å
16S41.3Very low45.4Very low108 Ų108130.7 Ų130.776%0.75574%0.739SS**  trans-68.996.4165.558.10000108.9P14 I18P14-S16 PolarHBondContact O-N 2.94Å; S16-I18 PolarHBondContact O-N 3.06Å
17A40.5Very low45Very low96 Ų96127.9 Ų127.979%0.79373%0.725SS**  trans-71109.9171.100000109.2V15 Q19V15-A17 PolarHBondContact O-N 2.8Å; V15-A17 VanDerWaalsContact O-N 3.07Å; A17-Q19 PolarHBondContact O-N 3.23Å; A17-Q19 VanDerWaalsContact O-N 3.14Å
18I40Very low44.3Very low160 Ų160129.3 Ų129.382%0.82172%0.723SS**  trans-62.9108170.1-66.1164.1000107.6S16 A20S16-I18 PolarHBondContact O-N 3.06Å; I18-A20 PolarHBondContact O-N 3.33Å
19Q37.8Very low43.4Very low70 Ų70130.5 Ų130.533%0.32772%0.718SS.*  trans-88.2104.1173.7-151.2175.5-72.500108.4A17 F21A17-Q19 PolarHBondContact O-N 3.23Å; A17-Q19 VanDerWaalsContact O-N 3.14Å; Q19-F21 WeakPolarHBondContact O-CD2 3.33Å; Q19-F21 PolarHBondContact O-N 3.11Å
20A38.7Very low42.5Very low96 Ų96129.8 Ų129.879%0.79372%0.717SS**  trans-69.8113.5174.800000109.8I18I18-A20 PolarHBondContact O-N 3.33Å
21F37.5Very low41.5Very low112 Ų112131.8 Ų131.849%0.49172%0.72SS.*  trans-79.3119.7172.3-73.3-93.4000109.7Q19 I23Q19-F21 WeakPolarHBondContact O-CD2 3.33Å; Q19-F21 PolarHBondContact O-N 3.11Å; F21-I23 HydrophobicContact CB-CG1 4.16Å; F21-I23 PolarHBondContact O-N 3.05Å
22F38Very low41.5Very low193 Ų193133.3 Ų133.385%0.84673%0.725SS**  trans-90.885.7163.1-138.5-94.5000107.8K24F22-K24 PolarHBondContact O-N 2.7Å
23I48.1Very low41.2Very low141 Ų141129.4 Ų129.472%0.72372%0.722SS**  trans-76.6107.2170.7-57.8175.9000106.6F21F21-I23 HydrophobicContact CB-CG1 4.16Å; F21-I23 PolarHBondContact O-N 3.05Å
24K36.1Very low40.9Very low150 Ų150127.4 Ų127.465%0.65272%0.723SS**  trans-68.4125.6160.9-71.6-172.9178.6177.30107F22 T26F22-K24 PolarHBondContact O-N 2.7Å; K24-T26 PolarHBondContact O-N 2.94Å
25P43.3Very low40.5Very low96 Ų96131.5 Ų131.562%0.62373%0.73SS**  trans-65.7108.5171.726.7-31.1000107.8S27 W38P25-S27 PolarHBondContact O-N 3.35Å; P25-W38 HydrophobicContact CG-CH2 4.34Å; P25-W38 HydrophobicContact CG-CZ2 4.49Å
26T45.4Very low40.3Very low74 Ų74136.4 Ų136.445%0.45473%0.733SS.*  trans-66.6116166.443.10000107.1K24 V28 E127K24-T26 PolarHBondContact O-N 2.94Å; T26-V28 PolarHBondContact O-N 3.02Å; T26-E127 HydrophobicContact CG2-CG 3.4Å
27S43.6Very low40.1Very low85 Ų85142.8 Ų142.859%0.59474%0.741SS**  trans-53.9123.4-175.555.60000112P25 I29P25-S27 PolarHBondContact O-N 3.35Å; S27-I29 PolarHBondContact O-N 2.67Å
28V41.3Very low39.6Very low137 Ų137147.7 Ų147.783%0.8374%0.739SS**  trans-72.9107.6148.9179.50000105.7T26 C30T26-V28 PolarHBondContact O-N 3.02Å; V28-C30 PolarHBondContact O-N 3.26Å; V28-C30 VanDerWaalsContact O-N 3.09Å
29I41.3Very low39.8Very low141 Ų141144 Ų14472%0.72373%0.727SS**  trans-74.797.1174.6-71165.7000107.1S27S27-I29 PolarHBondContact O-N 2.67Å
30C35.5Very low40.2Very low118 Ų118147.7 Ų147.780%0.79775%0.749SS**  trans-99.9125.4156.1-114.60000107.4V28 R32V28-C30 PolarHBondContact O-N 3.26Å; V28-C30 VanDerWaalsContact O-N 3.09Å; C30-R32 PolarHBondContact O-N 2.65Å; C30-R32 VanDerWaalsContact O-N 3.07Å
31L34.7Very low40.9Very low168 Ų168149.8 Ų149.888%0.8875%0.747SS**SBendtrans-61.8102.6-174.6-70.9156.2000112.2
32R36.9Very low41.7Very low239 Ų239150.9 Ų150.990%0.90276%0.757SS**  trans-172105.2148.1-123.4172.9172.5-140.7-1111.9C30C30-R32 PolarHBondContact O-N 2.65Å; C30-R32 VanDerWaalsContact O-N 3.07Å
33S43.8Very low42.1Very low116 Ų116152.4 Ų152.481%0.81176%0.757SS**  trans32.5152139.3-79.40000122.9
34P41.7Very low42.1Very low121 Ų121150.7 Ų150.779%0.78676%0.756SS**  -122179.2-110.732.9-15.3000114.8
35K38Very low43.1Very low200 Ų200149.2 Ų149.287%0.8775%0.754SS**  trans92.490.5151.5-155167.7-169.4170.30116.7
36R42.3Very low43.4Very low243 Ų243148.3 Ų148.392%0.91775%0.754SS**  trans-151.1137143.5-72.7-156.4-154.7-115.92.7113
37R37.9Very low43.6Very low243 Ų243154.8 Ų154.892%0.91777%0.77SS**  trans-68.3121.6-176.4-164.9165.385.4-170.410109.7S39R37-S39 PolarHBondContact O-N 3.01Å
38W30.2Very low43.5Very low199 Ų199161.1 Ų161.175%0.75478%0.781SS**  trans-75.597.3175.3-85.221000109.9P25P25-W38 HydrophobicContact CG-CH2 4.34Å; P25-W38 HydrophobicContact CG-CZ2 4.49Å
39S43.8Very low43.9Very low83 Ų83161.7 Ų161.758%0.5878%0.778SS**  trans-162.7133.5152.7-150.10000106.8R37R37-S39 PolarHBondContact O-N 3.01Å
40D46.5Very low43.9Very low146 Ų146163.1 Ų163.178%0.78178%0.782SS**SBendtrans110.1-8.5152-45.5-26.1000120.8
41D53.9Low44.3Very low140 Ų140164 Ų16475%0.74978%0.778SS**  trans-119.614.3-169.5-77.5-38.8000119
42L53.5Low45.1Very low136 Ų136163 Ų16371%0.71277%0.772SS**  trans-117.511.6-172-62.6179.7000117.1I45L42-I45 HydrophobicContact CD2-CD1 3.98Å
43W45.9Very low45.3Very low224 Ų224159.9 Ų159.985%0.84877%0.774SS**SBendtrans-71.6-26.7170177.6-107.8000115.1I45W43-I45 PolarHBondContact O-N 3.07Å
44P49.1Very low45.4Very low106 Ų106165.1 Ų165.169%0.68878%0.776SS**SBendtrans-78.8-13.6-178.9-17.531.9000116.4
45I55.5Low45.3Very low119 Ų119163.9 Ų163.961%0.6178%0.776SS**SBendtrans-90.7-17.7-174.5-62.7172.6000112.2L42 W43 R47 R48L42-I45 HydrophobicContact CD2-CD1 3.98Å; W43-I45 PolarHBondContact O-N 3.07Å; I45-R47 PolarHBondContact O-N 3.03Å; I45-R48 PolarHBondContact O-N 3.14Å
46A50.1Low45.7Very low77 Ų77159 Ų15964%0.63677%0.766SS**THydrogen-bonded Turntrans-69.7-2.2-178.300000115.4
47R49.3Very low45.7Very low210 Ų210156.7 Ų156.779%0.79276%0.764SS**THydrogen-bonded Turntrans-102.36.4178-84.1-171.1-174.7161.62.4115.6I45I45-R47 PolarHBondContact O-N 3.03Å
48R42.6Very low46Very low218 Ų218150.7 Ų150.782%0.82376%0.759SS**SBendtrans-91.9-2.5-178-155.6167.8-173.9137.71.7115I45I45-R48 PolarHBondContact O-N 3.14Å
49I48.7Very low46.3Very low149 Ų149147.2 Ų147.276%0.76477%0.765SS**SBendtrans-95.2-8.3-176-61.6175.6000112.7N51I49-N51 PolarHBondContact O-N 2.82Å
50E42.9Very low46.5Very low171 Ų171149.1 Ų149.180%0.79978%0.775SS**THydrogen-bonded Turntrans-89.918.1-179.1-68.5-176.9166.100115.4
51N42Very low46.3Very low135 Ų135148.7 Ų148.772%0.72278%0.778SS**THydrogen-bonded Turntrans-129.818.8-173.1-107-4.7000116.5I49I49-N51 PolarHBondContact O-N 2.82Å
52I52.6Low45.7Very low147 Ų147148 Ų14875%0.75478%0.784SS**SBendtrans-91.1-13.7178.1-63.4177.5000113R54I52-R54 VanDerWaalsContact C-N 3.29Å; I52-R54 PolarHBondContact O-N 3.43Å
53D40.9Very low45.7Very low175 Ų175146.2 Ų146.294%0.93679%0.789SS**SBendtrans-8927.4177.9-75.2-35000114.9
54R45.6Very low45.6Very low226 Ų226144.7 Ų144.785%0.85379%0.791SS**  trans-138.757.9177.3-158.8-177.6-178.9123.8-0.6112.4I52I52-R54 VanDerWaalsContact C-N 3.29Å; I52-R54 PolarHBondContact O-N 3.43Å
55A40.9Very low45.4Very low95 Ų95145.8 Ų145.879%0.78580%0.798SS**  trans-141.167.1165.200000110.4
56S45.3Very low44.7Very low96 Ų96143.2 Ų143.267%0.67180%0.802SS**  trans-67.5139.5158.1-46.60000109
57F42.6Very low44.4Very low196 Ų196143.5 Ų143.586%0.8680%0.804SS**  trans78.781.2167.1-47.7-76.4000117.2
58S43.9Very low43.6Very low117 Ų117139.9 Ų139.982%0.81881%0.805SS**  -174.1124.4125.437.70000109.4P60S58-P60 WeakPolarHBondContact O-CD 3.24Å
59S36.1Very low43.8Very low125 Ų125137.1 Ų137.187%0.87480%0.801SS**  trans-68.1136.5-178-45.30000111.7
60P49.3Very low43.6Very low124 Ų124134.9 Ų134.981%0.80580%0.799SS**  trans-111.8133.4153.920.3-2000111.5S58S58-P60 WeakPolarHBondContact O-CD 3.24Å
61T42.3Very low44Very low137 Ų137131.3 Ų131.384%0.8480%0.799SS**  trans-57.9148.2-178.7-43.40000114
62S41Very low44.5Very low124 Ų124127.6 Ų127.687%0.86778%0.783SS**  trans-18.6114.3174.3-62.30000118.2
63A52.5Low44.6Very low99 Ų99123.2 Ų123.282%0.81876%0.763SS**  trans-156138.4143.400000108.2
64E44.5Very low45.7Very low192 Ų192116.6 Ų116.690%0.89774%0.737SS**  trans-48.2138.6-164.7-61179.793.100116.6G66E64-G66 PolarHBondContact O-N 3.26Å
65P45.8Very low47.3Very low129 Ų129110.3 Ų110.384%0.83872%0.723SS**  trans-91.495.3162.532.2-22.9000109.5A67P65-A67 PolarHBondContact O-N 3.03Å
66G38.9Very low49.6Very low66 Ų66107 Ų10768%0.6869%0.694SS**  trans-58.8119.4157.300000108.6E64 T68E64-G66 PolarHBondContact O-N 3.26Å; G66-T68 PolarHBondContact O-N 2.67Å
67A44.5Very low51.8Low82 Ų82105.3 Ų105.368%0.67868%0.683SS**  trans-53.6122.2-170.500000112.7P65 H69P65-A67 PolarHBondContact O-N 3.03Å; A67-H69 PolarHBondContact O-N 2.87Å
68T32.6Very low54.3Low135 Ų13598.4 Ų98.483%0.82866%0.656SS**  trans-70.2107.6177.639.70000111.4G66G66-T68 PolarHBondContact O-N 2.67Å
69H46.3Very low56.7Low159 Ų15995.7 Ų95.774%0.73663%0.632SS**  trans-113.39172.6-81.8-83.5000114.7A67A67-H69 PolarHBondContact O-N 2.87Å
70S44.3Very low59.4Low102 Ų10294.1 Ų94.171%0.71361%0.614SS**SBendtrans-107.54.5-170.5-160.60000116.4
71A51.5Low61.3Low97 Ų9792.3 Ų92.380%0.80260%0.597SS**SBendtrans-101.8-8.8-171.600000116
72S52.2Low63.5Low57 Ų5792.7 Ų92.740%0.39959%0.594SS.*  trans-84.7-16-177.6680000114.2G74 V75 D90S72-G74 PolarHBondContact O-N 3.04Å; S72-V75 WeakPolarHBondContact O-CG2 3.18Å; S72-V75 PolarHBondContact O-N 3.47Å; S72-D90 PolarHBondContact OG-OD2 2.86Å
73T56.2Low65.8Low54 Ų5495.4 Ų95.433%0.33159%0.59SS.*THydrogen-bonded Turntrans-65.4101.9-179.9-39.10000110.2H93 F94T73-H93 HydrophobicContact CG2-CB 4.39Å; T73-H93 PolarHBondContact OG1-CD2 3.01Å; T73-H93 PolarHBondContact OG1-NE2 2.99Å; T73-H93 VanDerWaalsContact OG1-NE2 3.14Å; T73-F94 HydrophobicContact CG2-CE2 4.23Å
74G63.9Low67.7Low37 Ų3794.2 Ų94.238%0.38157%0.567SS.*THydrogen-bonded Turntrans142.2-24.5-171.300000114S72 S76 R130S72-G74 PolarHBondContact O-N 3.04Å; G74-S76 PolarHBondContact O-N 2.85Å; G74-R130 PolarHBondContact O-NH1 2.95Å; G74-R130 PolarHBondContact O-NH2 3.22Å
75V78Confident70.1Confident94 Ų9485.2 Ų85.257%0.5753%0.525SS*.  trans-69.4134-176.4-176.10000109.8S72 D90 R130S72-V75 WeakPolarHBondContact O-CG2 3.18Å; S72-V75 PolarHBondContact O-N 3.47Å; V75-D90 PolarHBondContact O-N 2.81Å; V75-R130 PolarHBondContact O-NH1 2.82Å
76S89.1Confident72.5Confident25 Ų2580.4 Ų80.418%0.17549%0.491CS..EExtended strand (participates in β ladder)trans-134.8145.616347.90000110.1G74 T88 R130 Y132G74-S76 PolarHBondContact O-N 2.85Å; S76-T88 CarbonylContact C-O 3.57Å; S76-T88 WeakPolarHBondContact CA-O 3.5Å; S76-T88 VanDerWaalsContact CB-O 3.24Å; S76-T88 WeakPolarHBondContact CB-O 3.34Å; S76-R130 PolarHBondContact OG-NH1 3.25Å; S76-Y132 WeakPolarHBondContact CB-OH 3.32Å; S76-Y132 PolarHBondContact OG-OH 3.12Å
77S92.8Very high75.2Confident61 Ų6177.3 Ų77.343%0.42746%0.459SS..EExtended strand (participates in β ladder)trans-111147.4167.463.50000110V87 T88S77-V87 WeakPolarHBondContact O-CA 3.37Å; S77-T88 PolarHBondContact N-O 3.23Å; S77-T88 PolarHBondContact O-N 3.21Å; S77-T88 WeakPolarHBondContact OG-CB 3.26Å
78V94.6Very high77.6Confident50 Ų5074.5 Ų74.530%0.30343%0.433SS..EExtended strand (participates in β ladder)trans-128.8128.8176.8-1760000107.8F85 Q86 V87 Y132V78-F85 HydrophobicContact CG1-CE2 3.75Å; V78-F85 HydrophobicContact CG1-CZ 4.16Å; V78-Q86 CarbonylContact C-O 3.57Å; V78-Q86 WeakPolarHBondContact CA-O 3.44Å; V78-V87 HydrophobicContact CG1-CG2 4.39Å; V78-V87 HydrophobicContact CG2-CG2 4.29Å; V78-Y132 HydrophobicContact CG2-CD1 3.57Å; V78-Y132 HydrophobicContact CG2-CE1 3.45Å; V78-Y132 VanDerWaalsContact CG2-CE1 3.45Å
79I94Very high80.5Confident61 Ų6168 Ų6831%0.31339%0.394SS..EExtended strand (participates in β ladder)trans-115128.3175.2-58.9172.4000107D81 F85 Q86I79-D81 VanDerWaalsContact CG2-OD2 3.25Å; I79-D81 WeakPolarHBondContact CG2-OD2 3.07Å; I79-F85 CarbonylContact O-C 3.58Å; I79-F85 WeakPolarHBondContact O-CA 3.33Å; I79-Q86 HydrophobicContact CB-CB 4.25Å; I79-Q86 PolarHBondContact N-O 3.14Å; I79-Q86 PolarHBondContact O-N 3.45Å
80N92.6Very high82.6Confident91 Ų9161.5 Ų61.549%0.48736%0.364SS..EExtended strand (participates in β ladder)trans-134.163.2-174.3-171.526.9000110.9F85 P135 K159N80-F85 HydrophobicContact CB-CD2 4.36Å; N80-P135 WeakPolarHBondContact OD1-CG 3.25Å; N80-K159 WeakPolarHBondContact OD1-CE 3.33Å; N80-K159 PolarHBondContact OD1-NZ 2.92Å
81D89.8Confident84.8Confident86 Ų8656.8 Ų56.846%0.4633%0.331SS..  trans-81.5166.1-178.6-59.4-32.4000111.6I79 K83 K84 K159I79-D81 VanDerWaalsContact CG2-OD2 3.25Å; I79-D81 WeakPolarHBondContact CG2-OD2 3.07Å; D81-K83 PolarHBondContact O-N 2.92Å; D81-K84 PolarHBondContact N-O 2.83Å; D81-K84 PolarHBondContact O-N 2.78Å; D81-K159 VanDerWaalsContact O-CD 3.24Å; D81-K159 WeakPolarHBondContact O-CD 3.46Å; D81-K159 WeakPolarHBondContact O-CE 3.29Å; D81-K159 PolarHBondContact O-NZ 2.81Å
82D87.9Confident86.5Confident146 Ų14655.9 Ų55.978%0.78132%0.316SS*.SBendtrans-57.7-24.1178.8-64.6-40.5000114.1
83K89.4Confident87.9Confident180 Ų18056 Ų5678%0.78331%0.31SS*.SBendtrans-97.5-32.4-176.4-61-178.8-178178.90114D81 K159D81-K83 PolarHBondContact O-N 2.92Å; K83-K159 PolarHBondContact O-N 3.08Å
84K92.3Very high89.1Confident74 Ų7454.8 Ų54.832%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-147.1154.4-170.667170.4-178166.80112.7D81 A157D81-K84 PolarHBondContact N-O 2.83Å; D81-K84 PolarHBondContact O-N 2.78Å; K84-A157 CarbonylContact C-O 3.52Å; K84-A157 VanDerWaalsContact CA-O 3.32Å; K84-A157 WeakPolarHBondContact CA-O 3.08Å
85F94.9Very high89.7Confident4 Ų457.9 Ų57.92%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-115.6131.2166.4176.7-99.1000108V78 I79 N80 V87 L108 L134 P135 I138 E156 A157V78-F85 HydrophobicContact CG1-CE2 3.75Å; V78-F85 HydrophobicContact CG1-CZ 4.16Å; I79-F85 CarbonylContact O-C 3.58Å; I79-F85 WeakPolarHBondContact O-CA 3.33Å; N80-F85 HydrophobicContact CB-CD2 4.36Å; F85-V87 HydrophobicContact CE1-CG2 3.62Å; F85-V87 HydrophobicContact CZ-CG2 3.68Å; F85-L108 HydrophobicContact CE1-CD2 4.2Å; F85-L134 HydrophobicContact CD1-CD2 3.93Å; F85-L134 HydrophobicContact CE1-CD2 3.53Å; F85-L134 HydrophobicContact CZ-CD2 4.05Å; F85-P135 HydrophobicContact CD2-CG 3.97Å; F85-P135 HydrophobicContact CE2-CG 4.49Å; F85-I138 HydrophobicContact CB-CD1 3.49Å; F85-I138 VanDerWaalsContact CB-CD1 3.49Å; F85-I138 HydrophobicContact CB-CG1 4.12Å; F85-I138 HydrophobicContact CD1-CD1 3.8Å; F85-I138 HydrophobicContact CD2-CD1 4.22Å; F85-I138 HydrophobicContact CG-CD1 3.58Å; F85-E156 CarbonylContact O-C 3.52Å; F85-E156 VanDerWaalsContact O-CA 3.26Å; F85-E156 WeakPolarHBondContact O-CA 3.26Å; F85-A157 PolarHBondContact N-O 2.84Å; F85-A157 PolarHBondContact O-N 2.76Å
86Q96.1Very high89.4Confident28 Ų2861 Ų6113%0.13131%0.305CS..EExtended strand (participates in β ladder)trans-141.6133.8-178.4179.6-173.9-29.700110.5V78 I79 T154 I155 E156V78-Q86 CarbonylContact C-O 3.57Å; V78-Q86 WeakPolarHBondContact CA-O 3.44Å; I79-Q86 HydrophobicContact CB-CB 4.25Å; I79-Q86 PolarHBondContact N-O 3.14Å; I79-Q86 PolarHBondContact O-N 3.45Å; Q86-T154 HydrophobicContact CG-CG2 3.78Å; Q86-I155 CarbonylContact C-O 3.49Å; Q86-I155 VanDerWaalsContact CA-O 3.26Å; Q86-I155 WeakPolarHBondContact CA-O 3.32Å; Q86-E156 HydrophobicContact CB-CB 4.24Å; Q86-E156 HydrophobicContact CG-CB 4.22Å
87V95.8Very high88.3Confident1 Ų168.9 Ų68.91%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-116.6132.5172.9177.80000107.9S77 V78 F85 L89 L108 I110 Y132 T154 I155S77-V87 WeakPolarHBondContact O-CA 3.37Å; V78-V87 HydrophobicContact CG1-CG2 4.39Å; V78-V87 HydrophobicContact CG2-CG2 4.29Å; F85-V87 HydrophobicContact CE1-CG2 3.62Å; F85-V87 HydrophobicContact CZ-CG2 3.68Å; V87-L89 HydrophobicContact CG1-CD1 4.17Å; V87-L108 HydrophobicContact CG2-CD2 4.05Å; V87-I110 HydrophobicContact CG1-CD1 4.31Å; V87-Y132 HydrophobicContact CG1-CD1 4.19Å; V87-Y132 HydrophobicContact CG1-CD2 4.09Å; V87-Y132 HydrophobicContact CG1-CE1 3.79Å; V87-Y132 HydrophobicContact CG1-CE2 3.68Å; V87-Y132 HydrophobicContact CG1-CG 4.36Å; V87-Y132 HydrophobicContact CG2-CD1 3.95Å; V87-Y132 HydrophobicContact CG2-CD2 4.29Å; V87-Y132 HydrophobicContact CG2-CE1 4.36Å; V87-Y132 HydrophobicContact CG2-CG 3.95Å; V87-T154 CarbonylContact O-C 3.52Å; V87-T154 WeakPolarHBondContact O-CA 3.27Å; V87-I155 PolarHBondContact N-O 3.01Å; V87-I155 PolarHBondContact O-N 2.85Å
88T95.1Very high87.8Confident22 Ų2268.6 Ų68.614%0.13533%0.33CS..EExtended strand (participates in β ladder)trans-121.5134.7171.8-48.90000109.3S76 S77 L152 L153S76-T88 CarbonylContact C-O 3.57Å; S76-T88 WeakPolarHBondContact CA-O 3.5Å; S76-T88 VanDerWaalsContact CB-O 3.24Å; S76-T88 WeakPolarHBondContact CB-O 3.34Å; S77-T88 PolarHBondContact N-O 3.23Å; S77-T88 PolarHBondContact O-N 3.21Å; S77-T88 WeakPolarHBondContact OG-CB 3.26Å; T88-L152 HydrophobicContact CG2-CB 4.14Å; T88-L153 CarbonylContact C-O 3.53Å; T88-L153 WeakPolarHBondContact CA-O 3.39Å
89L93.4Very high87.5Confident0 Ų068.3 Ų68.30%032%0.324CS..EExtended strand (participates in β ladder)trans-135.5123.5-168.3-126.5145.1000109.1V87 V91 I110 F128 R130 Y132 L152 L153V87-L89 HydrophobicContact CG1-CD1 4.17Å; L89-V91 HydrophobicContact CB-CG1 4.43Å; L89-V91 HydrophobicContact CD2-CG1 4.06Å; L89-V91 PolarHBondContact O-N 3.18Å; L89-I110 HydrophobicContact CD1-CD1 3.36Å; L89-I110 HydrophobicContact CD1-CG2 4.41Å; L89-F128 HydrophobicContact CD2-CE2 4.13Å; L89-F128 HydrophobicContact CD2-CZ 4.36Å; L89-R130 VanDerWaalsContact CD2-NH1 3.35Å; L89-Y132 HydrophobicContact CD1-CE2 3.99Å; L89-L152 WeakPolarHBondContact O-CA 2.97Å; L89-L153 HydrophobicContact CB-CB 4.26Å; L89-L153 PolarHBondContact N-O 3.3Å; L89-L153 PolarHBondContact O-N 3.44Å
90D91.3Very high87.5Confident21 Ų2170.6 Ų70.611%0.11233%0.334CS..EExtended strand (participates in β ladder)trans-75.2115.4171.3-1771.2000109.6S72 V75 T92 L152S72-D90 PolarHBondContact OG-OD2 2.86Å; V75-D90 PolarHBondContact O-N 2.81Å; D90-T92 VanDerWaalsContact OD1-CB 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.2Å; D90-T92 PolarHBondContact OD1-N 3.2Å; D90-T92 PolarHBondContact OD1-OG1 2.65Å; D90-L152 HydrophobicContact CB-CD2 4.03Å
91V89.8Confident87.5Confident3 Ų369.1 Ų69.12%0.01833%0.325CS..  trans-123.324179.4-61.40000111.9L89 H93 F94 F99 F128 L147 G151 L153L89-V91 HydrophobicContact CB-CG1 4.43Å; L89-V91 HydrophobicContact CD2-CG1 4.06Å; L89-V91 PolarHBondContact O-N 3.18Å; V91-H93 PolarHBondContact O-N 2.94Å; V91-H93 VanDerWaalsContact O-N 3.07Å; V91-F94 HydrophobicContact CB-CB 4.38Å; V91-F94 HydrophobicContact CB-CD2 4.18Å; V91-F94 WeakPolarHBondContact O-CB 3.41Å; V91-F94 PolarHBondContact O-N 3.43Å; V91-F99 HydrophobicContact CB-CE1 3.82Å; V91-F99 HydrophobicContact CB-CZ 3.62Å; V91-F99 HydrophobicContact CG1-CE1 3.85Å; V91-F99 HydrophobicContact CG1-CZ 4.12Å; V91-F99 HydrophobicContact CG2-CE1 4.21Å; V91-F99 HydrophobicContact CG2-CE2 4.14Å; V91-F99 HydrophobicContact CG2-CZ 3.61Å; V91-F128 HydrophobicContact CG1-CE1 4.16Å; V91-F128 HydrophobicContact CG1-CZ 3.86Å; V91-L147 HydrophobicContact CG2-CD1 3.64Å; V91-G151 CarbonylContact C-O 3.57Å; V91-G151 WeakPolarHBondContact CA-O 3.32Å; V91-G151 WeakPolarHBondContact CG2-O 3.11Å; V91-G151 PolarHBondContact N-O 2.93Å; V91-L153 HydrophobicContact CG1-CB 4.25Å; V91-L153 HydrophobicContact CG2-CB 3.92Å
92T87.3Confident87.8Confident78 Ų7867.5 Ų67.548%0.47932%0.319SS..THydrogen-bonded Turntrans-54-32.2-176.2-57.20000113.8D90 F94 N150 G151D90-T92 VanDerWaalsContact OD1-CB 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.2Å; D90-T92 PolarHBondContact OD1-N 3.2Å; D90-T92 PolarHBondContact OD1-OG1 2.65Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.81Å; T92-N150 PolarHBondContact OG1-O 3.04Å; T92-G151 PolarHBondContact N-O 2.92Å
93H81.7Confident88Confident61 Ų6164.1 Ų64.128%0.28230%0.303SS..THydrogen-bonded Turntrans-88.57.5180-58-78.5000114.2T73 V91 H114T73-H93 HydrophobicContact CG2-CB 4.39Å; T73-H93 PolarHBondContact OG1-CD2 3.01Å; T73-H93 PolarHBondContact OG1-NE2 2.99Å; T73-H93 VanDerWaalsContact OG1-NE2 3.14Å; V91-H93 PolarHBondContact O-N 2.94Å; V91-H93 VanDerWaalsContact O-N 3.07Å; H93-H114 PolarHBondContact O-ND1 2.71Å
94F82.2Confident88.1Confident27 Ų2761.7 Ų61.712%0.11829%0.293CS..SBendtrans-113.3146.4178.6-63.6-90.9000110.2T73 V91 T92 F99 H114 R126 F128T73-F94 HydrophobicContact CG2-CE2 4.23Å; V91-F94 HydrophobicContact CB-CB 4.38Å; V91-F94 HydrophobicContact CB-CD2 4.18Å; V91-F94 WeakPolarHBondContact O-CB 3.41Å; V91-F94 PolarHBondContact O-N 3.43Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.81Å; F94-F99 HydrophobicContact CB-CE1 3.62Å; F94-F99 HydrophobicContact CB-CZ 3.55Å; F94-F99 HydrophobicContact CG-CE1 4.12Å; F94-F99 HydrophobicContact CG-CZ 4.49Å; F94-H114 HydrophobicContact CD1-CB 3.8Å; F94-H114 HydrophobicContact CE1-CB 4.08Å; F94-R126 HydrophobicContact CE1-CB 3.78Å; F94-R126 HydrophobicContact CZ-CB 4.04Å; F94-F128 HydrophobicContact CD1-CD1 4.08Å; F94-F128 AromaticContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD2-CD1 4.3Å; F94-F128 AromaticContact CD2-CE1 3.96Å; F94-F128 HydrophobicContact CD2-CE1 3.96Å; F94-F128 AromaticContact CE1-CD1 3.55Å; F94-F128 HydrophobicContact CE1-CD1 3.55Å; F94-F128 AromaticContact CE1-CE1 3.95Å; F94-F128 HydrophobicContact CE1-CE1 3.95Å; F94-F128 AromaticContact CE2-CD1 3.77Å; F94-F128 HydrophobicContact CE2-CD1 3.77Å; F94-F128 AromaticContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CG-CD1 4.45Å; F94-F128 HydrophobicContact CG-CE1 4.04Å; F94-F128 AromaticContact CZ-CD1 3.39Å; F94-F128 HydrophobicContact CZ-CD1 3.39Å; F94-F128 AromaticContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CG 4.47Å
95K75.3Confident87.9Confident102 Ų10263 Ų6344%0.44330%0.303SS..  trans-71.7139.5173.9-73-178.8173.8174.40108.8E97 K98 N117K95-E97 PolarHBondContact O-N 3.31Å; K95-K98 PolarHBondContact O-N 2.84Å; K95-N117 PolarHBondContact NZ-OD1 2.78Å
96R71.3Confident87.8Confident161 Ų16167.7 Ų67.761%0.60833%0.328SS*.THydrogen-bonded Turntrans-56.8-25.9-170.9-64-169.7178.6158-0.3114.7F99 L147 P149R96-F99 WeakPolarHBondContact O-CD2 3.33Å; R96-F99 WeakPolarHBondContact O-CE2 3.35Å; R96-L147 HydrophobicContact CB-CD2 3.56Å; R96-L147 HydrophobicContact CG-CD2 3.68Å; R96-P149 PolarHBondContact NH2-O 3.07Å
97E67.8Low87.6Confident189 Ų18970.5 Ų70.588%0.88334%0.338SS*.THydrogen-bonded Turntrans-954.9-171.1-64.9177.1171.400114.8K95K95-E97 PolarHBondContact O-N 3.31Å
98K80.9Confident87.6Confident55 Ų5570.5 Ų70.524%0.23934%0.338CS..  trans-116.841.8-169.2-56.5-164.8176.7-162.70114.5K95 G112 K113 E115K95-K98 PolarHBondContact O-N 2.84Å; K98-G112 WeakPolarHBondContact O-CA 3.38Å; K98-K113 WeakPolarHBondContact CB-O 3.45Å; K98-K113 WeakPolarHBondContact CD-O 3.27Å; K98-K113 PolarHBondContact O-N 3.29Å; K98-E115 IonicContact NZ-OE1 2.76Å; K98-E115 PolarHBondContact NZ-OE1 2.85Å; K98-E115 IonicContact NZ-OE2 2.77Å; K98-E115 PolarHBondContact NZ-OE2 2.98Å
99F89.1Confident87.6Confident44 Ų4471.8 Ų71.819%0.19334%0.343CS..EExtended strand (participates in β ladder)trans-118.6139.9176.7-48.5-71.9000111.8V91 F94 R96 E111 F128 L147V91-F99 HydrophobicContact CB-CE1 3.82Å; V91-F99 HydrophobicContact CB-CZ 3.62Å; V91-F99 HydrophobicContact CG1-CE1 3.85Å; V91-F99 HydrophobicContact CG1-CZ 4.12Å; V91-F99 HydrophobicContact CG2-CE1 4.21Å; V91-F99 HydrophobicContact CG2-CE2 4.14Å; V91-F99 HydrophobicContact CG2-CZ 3.61Å; F94-F99 HydrophobicContact CB-CE1 3.62Å; F94-F99 HydrophobicContact CB-CZ 3.55Å; F94-F99 HydrophobicContact CG-CE1 4.12Å; F94-F99 HydrophobicContact CG-CZ 4.49Å; R96-F99 WeakPolarHBondContact O-CD2 3.33Å; R96-F99 WeakPolarHBondContact O-CE2 3.35Å; F99-E111 CarbonylContact C-O 3.53Å; F99-E111 VanDerWaalsContact CA-O 3.24Å; F99-E111 WeakPolarHBondContact CA-O 3.44Å; F99-F128 HydrophobicContact CD1-CE1 4.14Å; F99-F128 AromaticContact CD1-CZ 3.9Å; F99-F128 HydrophobicContact CD1-CZ 3.9Å; F99-F128 AromaticContact CE1-CE1 3.88Å; F99-F128 HydrophobicContact CE1-CE1 3.88Å; F99-F128 AromaticContact CE1-CZ 3.97Å; F99-F128 HydrophobicContact CE1-CZ 3.97Å; F99-L147 HydrophobicContact CE2-CD2 4.02Å
100E92.8Very high87.6Confident110 Ų11071.8 Ų71.851%0.51434%0.343SS..EExtended strand (participates in β ladder)trans-121.9128.8173.2-175176173.800108.6T102 I110 E111E100-T102 HydrophobicContact CG-CG2 4.17Å; E100-I110 WeakPolarHBondContact O-CA 3.42Å; E100-E111 HydrophobicContact CB-CB 4.37Å; E100-E111 PolarHBondContact N-O 3.24Å; E100-E111 PolarHBondContact O-N 3.45Å
101I94.2Very high87.6Confident60 Ų6073.2 Ų73.231%0.30835%0.349SS..EExtended strand (participates in β ladder)trans-120.7121.1-178.2-58.4164.6000107.4L108 M109 I110 I155I101-L108 HydrophobicContact CG2-CD1 3.55Å; I101-M109 WeakPolarHBondContact CA-O 3.48Å; I101-I110 HydrophobicContact CG1-CG2 4.36Å; I101-I155 HydrophobicContact CD1-CD1 3.61Å; I101-I155 HydrophobicContact CD1-CG1 3.88Å; I101-I155 HydrophobicContact CG1-CD1 3.96Å; I101-I155 HydrophobicContact CG2-CD1 4Å
102T94.7Very high87.7Confident52 Ų5273 Ų7332%0.31935%0.348SS..EExtended strand (participates in β ladder)trans-131.8151.3-179.456.30000110.8E100 M109E100-T102 HydrophobicContact CG-CG2 4.17Å; T102-M109 PolarHBondContact N-O 3.43Å; T102-M109 PolarHBondContact O-N 2.93Å; T102-M109 WeakPolarHBondContact OG1-CB 3.34Å
103T93.4Very high87.7Confident74 Ų7475 Ų7545%0.45435%0.35SS..EExtended strand (participates in β ladder)trans-117.1119.3173.554.40000109R107 L108 L134 F143T103-R107 CarbonylContact C-O 3.53Å; T103-R107 VanDerWaalsContact CA-O 3.28Å; T103-R107 WeakPolarHBondContact CA-O 3.34Å; T103-L108 HydrophobicContact CG2-CD1 3.95Å; T103-L134 HydrophobicContact CG2-CD1 4.1Å; T103-F143 HydrophobicContact CG2-CD2 4.19Å; T103-F143 HydrophobicContact CG2-CE2 3.85Å; T103-F143 HydrophobicContact CG2-CZ 4.06Å
104K90.6Very high87.8Confident130 Ų13073 Ų7357%0.56534%0.34SS*.EExtended strand (participates in β ladder)trans-150.6141.8-178.2-169.7-176.2173.4179.70110.4D106 R107K104-D106 PolarHBondContact O-N 2.85Å; K104-R107 PolarHBondContact N-O 3.46Å; K104-R107 WeakPolarHBondContact O-CA 3.35Å; K104-R107 WeakPolarHBondContact O-CB 3.26Å; K104-R107 PolarHBondContact O-N 2.83Å
105D89.4Confident87.8Confident100 Ų10077.6 Ų77.654%0.53536%0.362SS..THydrogen-bonded Turntrans49.852.3173.8-51.6-34.5000113.1R107D105-R107 PolarHBondContact O-N 2.8Å; D105-R107 VanDerWaalsContact O-N 3.14Å; D105-R107 PolarHBondContact O-NE 2.85Å
106D90.8Very high88.2Confident103 Ų10378.7 Ų78.755%0.55137%0.369SS*.THydrogen-bonded Turntrans55.127.4-176.4-58.2-37.2000114.3K104 L134K104-D106 PolarHBondContact O-N 2.85Å; D106-L134 WeakPolarHBondContact O-CB 3.43Å; D106-L134 PolarHBondContact O-N 3.46Å
107R93.6Very high88.6Confident88 Ų8872.9 Ų72.933%0.33235%0.35SS..EExtended strand (participates in β ladder)trans-129.9141.5179.7-69.5174.1-87.7-175.5-4.2111.8T103 K104 D105 Y132 W133T103-R107 CarbonylContact C-O 3.53Å; T103-R107 VanDerWaalsContact CA-O 3.28Å; T103-R107 WeakPolarHBondContact CA-O 3.34Å; K104-R107 PolarHBondContact N-O 3.46Å; K104-R107 WeakPolarHBondContact O-CA 3.35Å; K104-R107 WeakPolarHBondContact O-CB 3.26Å; K104-R107 PolarHBondContact O-N 2.83Å; D105-R107 PolarHBondContact O-N 2.8Å; D105-R107 VanDerWaalsContact O-N 3.14Å; D105-R107 PolarHBondContact O-NE 2.85Å; R107-Y132 CarbonylContact C-O 3.56Å; R107-Y132 WeakPolarHBondContact CA-O 3.33Å; R107-W133 HydrophobicContact CG-CD2 3.85Å; R107-W133 HydrophobicContact CG-CE3 3.39Å; R107-W133 HydrophobicContact CG-CH2 4.12Å; R107-W133 HydrophobicContact CG-CZ3 3.54Å
108L94.7Very high89.4Confident0 Ų071.9 Ų71.90%034%0.343CS..EExtended strand (participates in β ladder)trans-90.8115.7164173.869.6000107.9F85 V87 I101 T103 I110 A131 Y132 L134 F143 I155F85-L108 HydrophobicContact CE1-CD2 4.2Å; V87-L108 HydrophobicContact CG2-CD2 4.05Å; I101-L108 HydrophobicContact CG2-CD1 3.55Å; T103-L108 HydrophobicContact CG2-CD1 3.95Å; L108-I110 HydrophobicContact CD2-CD1 4.36Å; L108-I110 HydrophobicContact CG-CG1 4.27Å; L108-A131 CarbonylContact O-C 3.49Å; L108-A131 VanDerWaalsContact O-CA 3.3Å; L108-A131 WeakPolarHBondContact O-CA 3.32Å; L108-Y132 PolarHBondContact N-O 3.25Å; L108-Y132 PolarHBondContact O-N 3.41Å; L108-L134 HydrophobicContact CB-CD1 4.28Å; L108-L134 HydrophobicContact CB-CD2 3.77Å; L108-L134 HydrophobicContact CB-CG 4.08Å; L108-F143 HydrophobicContact CD1-CE1 4.27Å; L108-F143 HydrophobicContact CD2-CE1 4.49Å; L108-I155 HydrophobicContact CD1-CG2 4.31Å; L108-I155 HydrophobicContact CD2-CB 4.34Å; L108-I155 HydrophobicContact CD2-CD1 4.29Å; L108-I155 HydrophobicContact CD2-CG2 3.85Å
109M95Very high89.3Confident50 Ų5072.3 Ų72.325%0.24635%0.348CS..EExtended strand (participates in β ladder)trans-104.3132176.8-67-177.358.300109.6I101 T102 T129 R130 A131I101-M109 WeakPolarHBondContact CA-O 3.48Å; T102-M109 PolarHBondContact N-O 3.43Å; T102-M109 PolarHBondContact O-N 2.93Å; T102-M109 WeakPolarHBondContact OG1-CB 3.34Å; M109-T129 HydrophobicContact CE-CG2 4.32Å; M109-R130 CarbonylContact C-O 3.5Å; M109-R130 WeakPolarHBondContact CA-O 3.3Å; M109-A131 HydrophobicContact CG-CB 4.38Å
110I93.7Very high89.1Confident0 Ų077.9 Ų77.90%038%0.38CS..EExtended strand (participates in β ladder)trans-126.9115.6179.5-52.8166.5000106.8V87 L89 E100 I101 L108 F128 T129 R130 Y132 L153 I155V87-I110 HydrophobicContact CG1-CD1 4.31Å; L89-I110 HydrophobicContact CD1-CD1 3.36Å; L89-I110 HydrophobicContact CD1-CG2 4.41Å; E100-I110 WeakPolarHBondContact O-CA 3.42Å; I101-I110 HydrophobicContact CG1-CG2 4.36Å; L108-I110 HydrophobicContact CD2-CD1 4.36Å; L108-I110 HydrophobicContact CG-CG1 4.27Å; I110-F128 HydrophobicContact CG2-CE2 3.89Å; I110-F128 HydrophobicContact CG2-CZ 4.38Å; I110-T129 CarbonylContact O-C 3.5Å; I110-T129 VanDerWaalsContact O-CA 3.32Å; I110-T129 WeakPolarHBondContact O-CA 3.2Å; I110-R130 PolarHBondContact N-O 3.19Å; I110-R130 PolarHBondContact O-N 2.87Å; I110-Y132 HydrophobicContact CD1-CD2 4.09Å; I110-Y132 HydrophobicContact CD1-CE2 3.8Å; I110-L153 HydrophobicContact CG2-CD2 3.98Å; I110-I155 HydrophobicContact CD1-CD1 3.31Å; I110-I155 HydrophobicContact CG1-CD1 3.64Å
111E92.2Very high88.7Confident50 Ų5081.4 Ų81.423%0.23440%0.395CS..EExtended strand (participates in β ladder)trans-108.9135.5176.1-60.9-169179.500109.5F99 E100 F128 T129F99-E111 CarbonylContact C-O 3.53Å; F99-E111 VanDerWaalsContact CA-O 3.24Å; F99-E111 WeakPolarHBondContact CA-O 3.44Å; E100-E111 HydrophobicContact CB-CB 4.37Å; E100-E111 PolarHBondContact N-O 3.24Å; E100-E111 PolarHBondContact O-N 3.45Å; E111-F128 CarbonylContact C-O 3.55Å; E111-F128 WeakPolarHBondContact CA-O 3.4Å; E111-T129 HydrophobicContact CG-CG2 4Å
112G90.9Very high88.4Confident0 Ų079.9 Ų79.90%040%0.395CS..EExtended strand (participates in β ladder)trans-132.5128.8173.600000110.3K98 E127 F128K98-G112 WeakPolarHBondContact O-CA 3.38Å; G112-E127 CarbonylContact O-C 3.52Å; G112-E127 VanDerWaalsContact O-CA 3.26Å; G112-E127 WeakPolarHBondContact O-CA 3.45Å; G112-F128 PolarHBondContact N-O 2.77Å; G112-F128 PolarHBondContact O-N 2.93Å
113K88Confident88.1Confident119 Ų11984.9 Ų84.952%0.51741%0.409SS..EExtended strand (participates in β ladder)trans-119.4124.2-179.5-68.4177.4-176.5162.50110.1K98K98-K113 WeakPolarHBondContact CB-O 3.45Å; K98-K113 WeakPolarHBondContact CD-O 3.27Å; K98-K113 PolarHBondContact O-N 3.29Å
114H83.8Confident87.6Confident19 Ų1982.8 Ų82.89%0.08840%0.396CS..EExtended strand (participates in β ladder)trans-111.4104.6171.4-175.998.3000107.9H93 F94 N117 V124 K125 R126H93-H114 PolarHBondContact O-ND1 2.71Å; F94-H114 HydrophobicContact CD1-CB 3.8Å; F94-H114 HydrophobicContact CE1-CB 4.08Å; H114-N117 PolarHBondContact CE1-ND2 2.83Å; H114-N117 PolarHBondContact NE2-ND2 3.14Å; H114-V124 PolarHBondContact CD2-O 3.33Å; H114-V124 VanDerWaalsContact CD2-O 3.3Å; H114-V124 PolarHBondContact NE2-O 3.45Å; H114-K125 VanDerWaalsContact O-CG 3.29Å; H114-K125 WeakPolarHBondContact O-CG 3.06Å; H114-R126 CarbonylContact C-O 3.54Å; H114-R126 VanDerWaalsContact CA-O 3.32Å; H114-R126 WeakPolarHBondContact CA-O 3.24Å; H114-R126 HydrophobicContact CB-CB 4.03Å; H114-R126 VanDerWaalsContact CB-O 3.27Å; H114-R126 WeakPolarHBondContact CB-O 3.09Å; H114-R126 PolarHBondContact N-O 3.24Å; H114-R126 PolarHBondContact O-N 2.9Å; H114-R126 VanDerWaalsContact O-N 3.08Å; H114-R126 VanDerWaalsContact O-O 3.07Å
115E82.3Confident87.4Confident123 Ų12383.8 Ų83.858%0.57540%0.4SS*.EExtended strand (participates in β ladder)trans-54.6155.4167.8-84161.4-136.900111.3K98 N117K98-E115 IonicContact NZ-OE1 2.76Å; K98-E115 PolarHBondContact NZ-OE1 2.85Å; K98-E115 IonicContact NZ-OE2 2.77Å; K98-E115 PolarHBondContact NZ-OE2 2.98Å; E115-N117 PolarHBondContact O-N 2.91Å; E115-N117 PolarHBondContact O-ND2 3.32Å
116E82.7Confident87.2Confident126 Ų12683.4 Ų83.459%0.58939%0.391SS*.EExtended strand (participates in β ladder)trans-55.5112.3176.4-170.9170.8-125.400110.5Y123 V124 K125E116-Y123 HydrophobicContact CG-CD1 3.96Å; E116-Y123 HydrophobicContact CG-CG 4.16Å; E116-Y123 WeakPolarHBondContact OE1-CB 3.11Å; E116-V124 WeakPolarHBondContact CA-O 3.49Å; E116-K125 HydrophobicContact CB-CB 4.19Å
117N80.8Confident87.1Confident39 Ų3983 Ų8321%0.20939%0.386CS..EExtended strand (participates in β ladder)trans-115.1144.4173.2-65.5-68.3000109.1K95 H114 E115 D119 Y123 V124K95-N117 PolarHBondContact NZ-OD1 2.78Å; H114-N117 PolarHBondContact CE1-ND2 2.83Å; H114-N117 PolarHBondContact NE2-ND2 3.14Å; E115-N117 PolarHBondContact O-N 2.91Å; E115-N117 PolarHBondContact O-ND2 3.32Å; N117-D119 PolarHBondContact O-N 3.34Å; N117-Y123 WeakPolarHBondContact O-CA 3.46Å; N117-V124 PolarHBondContact N-O 3.07Å; N117-V124 PolarHBondContact O-N 2.82Å
118K83.2Confident86.9Confident167 Ų16780.1 Ų80.173%0.72638%0.376SS*.EExtended strand (participates in β ladder)trans-73.2124.8172.5-171.1176.5179.7-176.90109.4G122 Y123K118-G122 CarbonylContact C-O 3.57Å; K118-G122 VanDerWaalsContact CA-O 3.3Å; K118-G122 WeakPolarHBondContact CA-O 3.49Å; K118-Y123 HydrophobicContact CB-CD1 4.25Å; K118-Y123 HydrophobicContact CB-CE1 4.14Å; K118-Y123 HydrophobicContact CG-CE1 4.43Å
119D80.3Confident86.8Confident65 Ų6584.1 Ų84.135%0.34840%0.401SS..EExtended strand (participates in β ladder)trans-109.7-178167.370.22.8000110N117 H121 G122 V124N117-D119 PolarHBondContact O-N 3.34Å; D119-H121 PolarHBondContact O-N 2.62Å; D119-H121 VanDerWaalsContact O-N 3.1Å; D119-H121 PolarHBondContact OD1-N 3.33Å; D119-H121 VanDerWaalsContact OD1-N 3.09Å; D119-G122 PolarHBondContact N-O 3.03Å; D119-G122 PolarHBondContact O-N 3.27Å; D119-G122 VanDerWaalsContact OD1-C 3.31Å; D119-G122 PolarHBondContact OD1-N 3.23Å; D119-V124 WeakPolarHBondContact OD2-CG2 3.28Å
120D84.3Confident86.6Confident161 Ų16183.4 Ų83.486%0.86140%0.395SS*.THydrogen-bonded Turntrans-62-18.2-177.9-63.5-37.4000113.2
121H84.2Confident86.7Confident183 Ų18386 Ų8685%0.84742%0.417SS*.THydrogen-bonded Turntrans-118.42.5-171.7-61.4-62.5000114.2D119D119-H121 PolarHBondContact O-N 2.62Å; D119-H121 VanDerWaalsContact O-N 3.1Å; D119-H121 PolarHBondContact OD1-N 3.33Å; D119-H121 VanDerWaalsContact OD1-N 3.09Å
122G88.6Confident86.8Confident29 Ų2983.8 Ų83.830%0.29941%0.406SS..EExtended strand (participates in β ladder)trans148.2-135.7178.400000112.7K118 D119K118-G122 CarbonylContact C-O 3.57Å; K118-G122 VanDerWaalsContact CA-O 3.3Å; K118-G122 WeakPolarHBondContact CA-O 3.49Å; D119-G122 PolarHBondContact N-O 3.03Å; D119-G122 PolarHBondContact O-N 3.27Å; D119-G122 VanDerWaalsContact OD1-C 3.31Å; D119-G122 PolarHBondContact OD1-N 3.23Å
123Y86.8Confident86.9Confident157 Ų15791.9 Ų91.962%0.61644%0.437SS*.EExtended strand (participates in β ladder)trans-120.5134.7-179.7-67.1-83.7000109.3E116 N117 K118E116-Y123 HydrophobicContact CG-CD1 3.96Å; E116-Y123 HydrophobicContact CG-CG 4.16Å; E116-Y123 WeakPolarHBondContact OE1-CB 3.11Å; N117-Y123 WeakPolarHBondContact O-CA 3.46Å; K118-Y123 HydrophobicContact CB-CD1 4.25Å; K118-Y123 HydrophobicContact CB-CE1 4.14Å; K118-Y123 HydrophobicContact CG-CE1 4.43Å
124V83.8Confident87.2Confident29 Ų2987.4 Ų87.418%0.17642%0.419CS..EExtended strand (participates in β ladder)trans-126.8123.7179.3-178.50000111.2H114 E116 N117 D119 R126H114-V124 PolarHBondContact CD2-O 3.33Å; H114-V124 VanDerWaalsContact CD2-O 3.3Å; H114-V124 PolarHBondContact NE2-O 3.45Å; E116-V124 WeakPolarHBondContact CA-O 3.49Å; N117-V124 PolarHBondContact N-O 3.07Å; N117-V124 PolarHBondContact O-N 2.82Å; D119-V124 WeakPolarHBondContact OD2-CG2 3.28Å; V124-R126 HydrophobicContact CG1-CG 3.85Å; V124-R126 VanDerWaalsContact CG1-NH1 3.29Å
125K86.3Confident87.5Confident151 Ų15187.9 Ų87.966%0.65742%0.424SS*.EExtended strand (participates in β ladder)trans-118.6133.1170.5-173-177.5177.8-179.20108.4H114 E116H114-K125 VanDerWaalsContact O-CG 3.29Å; H114-K125 WeakPolarHBondContact O-CG 3.06Å; E116-K125 HydrophobicContact CB-CB 4.19Å
126R86Confident87.8Confident93 Ų9390.9 Ų90.935%0.35144%0.438SS..EExtended strand (participates in β ladder)trans-136.5147.8178.6-59.8-178.9-179.5102-2.5109.8F94 H114 V124F94-R126 HydrophobicContact CE1-CB 3.78Å; F94-R126 HydrophobicContact CZ-CB 4.04Å; H114-R126 CarbonylContact C-O 3.54Å; H114-R126 VanDerWaalsContact CA-O 3.32Å; H114-R126 WeakPolarHBondContact CA-O 3.24Å; H114-R126 HydrophobicContact CB-CB 4.03Å; H114-R126 VanDerWaalsContact CB-O 3.27Å; H114-R126 WeakPolarHBondContact CB-O 3.09Å; H114-R126 PolarHBondContact N-O 3.24Å; H114-R126 PolarHBondContact O-N 2.9Å; H114-R126 VanDerWaalsContact O-N 3.08Å; H114-R126 VanDerWaalsContact O-O 3.07Å; V124-R126 HydrophobicContact CG1-CG 3.85Å; V124-R126 VanDerWaalsContact CG1-NH1 3.29Å
127E88.6Confident88Confident94 Ų9485.9 Ų85.944%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-143.8151.1169.369.1-171.4173.600109T26 G112T26-E127 HydrophobicContact CG2-CG 3.4Å; G112-E127 CarbonylContact O-C 3.52Å; G112-E127 VanDerWaalsContact O-CA 3.26Å; G112-E127 WeakPolarHBondContact O-CA 3.45Å
128F89.7Confident88.5Confident27 Ų2785 Ų8512%0.11841%0.412CS..EExtended strand (participates in β ladder)trans-142.7151.717273.5-93.4000111.3L89 V91 F94 F99 I110 E111 G112 R130L89-F128 HydrophobicContact CD2-CE2 4.13Å; L89-F128 HydrophobicContact CD2-CZ 4.36Å; V91-F128 HydrophobicContact CG1-CE1 4.16Å; V91-F128 HydrophobicContact CG1-CZ 3.86Å; F94-F128 HydrophobicContact CD1-CD1 4.08Å; F94-F128 AromaticContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD2-CD1 4.3Å; F94-F128 AromaticContact CD2-CE1 3.96Å; F94-F128 HydrophobicContact CD2-CE1 3.96Å; F94-F128 AromaticContact CE1-CD1 3.55Å; F94-F128 HydrophobicContact CE1-CD1 3.55Å; F94-F128 AromaticContact CE1-CE1 3.95Å; F94-F128 HydrophobicContact CE1-CE1 3.95Å; F94-F128 AromaticContact CE2-CD1 3.77Å; F94-F128 HydrophobicContact CE2-CD1 3.77Å; F94-F128 AromaticContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CG-CD1 4.45Å; F94-F128 HydrophobicContact CG-CE1 4.04Å; F94-F128 AromaticContact CZ-CD1 3.39Å; F94-F128 HydrophobicContact CZ-CD1 3.39Å; F94-F128 AromaticContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CG 4.47Å; F99-F128 HydrophobicContact CD1-CE1 4.14Å; F99-F128 AromaticContact CD1-CZ 3.9Å; F99-F128 HydrophobicContact CD1-CZ 3.9Å; F99-F128 AromaticContact CE1-CE1 3.88Å; F99-F128 HydrophobicContact CE1-CE1 3.88Å; F99-F128 AromaticContact CE1-CZ 3.97Å; F99-F128 HydrophobicContact CE1-CZ 3.97Å; I110-F128 HydrophobicContact CG2-CE2 3.89Å; I110-F128 HydrophobicContact CG2-CZ 4.38Å; E111-F128 CarbonylContact C-O 3.55Å; E111-F128 WeakPolarHBondContact CA-O 3.4Å; G112-F128 PolarHBondContact N-O 2.77Å; G112-F128 PolarHBondContact O-N 2.93Å; F128-R130 HydrophobicContact CD2-CG 4.07Å
129T91.2Very high88.7Confident85 Ų8579.8 Ų79.852%0.52139%0.392SS..EExtended strand (participates in β ladder)trans-131.2122165.7-55.90000107.2M109 I110 E111M109-T129 HydrophobicContact CE-CG2 4.32Å; I110-T129 CarbonylContact O-C 3.5Å; I110-T129 VanDerWaalsContact O-CA 3.32Å; I110-T129 WeakPolarHBondContact O-CA 3.2Å; E111-T129 HydrophobicContact CG-CG2 4Å
130R92Very high89.1Confident34 Ų3481.1 Ų81.113%0.12840%0.404CS..EExtended strand (participates in β ladder)trans-116.4134.8171.4-64.5-157.7-168.2162.417.2109.9G74 V75 S76 L89 M109 I110 F128 Y132G74-R130 PolarHBondContact O-NH1 2.95Å; G74-R130 PolarHBondContact O-NH2 3.22Å; V75-R130 PolarHBondContact O-NH1 2.82Å; S76-R130 PolarHBondContact OG-NH1 3.25Å; L89-R130 VanDerWaalsContact CD2-NH1 3.35Å; M109-R130 CarbonylContact C-O 3.5Å; M109-R130 WeakPolarHBondContact CA-O 3.3Å; I110-R130 PolarHBondContact N-O 3.19Å; I110-R130 PolarHBondContact O-N 2.87Å; F128-R130 HydrophobicContact CD2-CG 4.07Å; R130-Y132 HydrophobicContact CB-CE2 3.67Å; R130-Y132 WeakPolarHBondContact CD-OH 3.29Å
131A94.1Very high89.4Confident56 Ų5681.9 Ų81.946%0.46340%0.402SS..EExtended strand (participates in β ladder)trans-118.8134.4175.900000109.7L108 M109L108-A131 CarbonylContact O-C 3.49Å; L108-A131 VanDerWaalsContact O-CA 3.3Å; L108-A131 WeakPolarHBondContact O-CA 3.32Å; M109-A131 HydrophobicContact CG-CB 4.38Å
132Y94.8Very high89.8Confident2 Ų274.2 Ų74.21%0.00837%0.37CS..EExtended strand (participates in β ladder)trans-123.3132.9178.1-62.8-93.8000109.1S76 V78 V87 L89 R107 L108 I110 R130 L134S76-Y132 WeakPolarHBondContact CB-OH 3.32Å; S76-Y132 PolarHBondContact OG-OH 3.12Å; V78-Y132 HydrophobicContact CG2-CD1 3.57Å; V78-Y132 HydrophobicContact CG2-CE1 3.45Å; V78-Y132 VanDerWaalsContact CG2-CE1 3.45Å; V87-Y132 HydrophobicContact CG1-CD1 4.19Å; V87-Y132 HydrophobicContact CG1-CD2 4.09Å; V87-Y132 HydrophobicContact CG1-CE1 3.79Å; V87-Y132 HydrophobicContact CG1-CE2 3.68Å; V87-Y132 HydrophobicContact CG1-CG 4.36Å; V87-Y132 HydrophobicContact CG2-CD1 3.95Å; V87-Y132 HydrophobicContact CG2-CD2 4.29Å; V87-Y132 HydrophobicContact CG2-CE1 4.36Å; V87-Y132 HydrophobicContact CG2-CG 3.95Å; L89-Y132 HydrophobicContact CD1-CE2 3.99Å; R107-Y132 CarbonylContact C-O 3.56Å; R107-Y132 WeakPolarHBondContact CA-O 3.33Å; L108-Y132 PolarHBondContact N-O 3.25Å; L108-Y132 PolarHBondContact O-N 3.41Å; I110-Y132 HydrophobicContact CD1-CD2 4.09Å; I110-Y132 HydrophobicContact CD1-CE2 3.8Å; R130-Y132 HydrophobicContact CB-CE2 3.67Å; R130-Y132 WeakPolarHBondContact CD-OH 3.29Å; Y132-L134 PolarHBondContact O-N 3.39Å
133W94Very high90.1Very high170 Ų17075.1 Ų75.164%0.64437%0.365SS*.EExtended strand (participates in β ladder)trans-69130.5173.2-71.6108.7000110.4R107R107-W133 HydrophobicContact CG-CD2 3.85Å; R107-W133 HydrophobicContact CG-CE3 3.39Å; R107-W133 HydrophobicContact CG-CH2 4.12Å; R107-W133 HydrophobicContact CG-CZ3 3.54Å
134L93Very high90.5Very high26 Ų2674.2 Ų74.214%0.13637%0.365CS..PPolyproline II helixtrans-90.4128.5177-67.8177.9000109.8F85 T103 D106 L108 Y132 Q136 I138 F143F85-L134 HydrophobicContact CD1-CD2 3.93Å; F85-L134 HydrophobicContact CE1-CD2 3.53Å; F85-L134 HydrophobicContact CZ-CD2 4.05Å; T103-L134 HydrophobicContact CG2-CD1 4.1Å; D106-L134 WeakPolarHBondContact O-CB 3.43Å; D106-L134 PolarHBondContact O-N 3.46Å; L108-L134 HydrophobicContact CB-CD1 4.28Å; L108-L134 HydrophobicContact CB-CD2 3.77Å; L108-L134 HydrophobicContact CB-CG 4.08Å; Y132-L134 PolarHBondContact O-N 3.39Å; L134-Q136 PolarHBondContact O-N 3.05Å; L134-I138 HydrophobicContact CB-CD1 4.18Å; L134-I138 HydrophobicContact CD2-CD1 3.73Å; L134-F143 HydrophobicContact CD1-CE2 4.32Å; L134-F143 HydrophobicContact CD1-CZ 3.82Å; L134-F143 HydrophobicContact CD2-CE1 4.19Å; L134-F143 HydrophobicContact CD2-CZ 3.68Å; L134-F143 HydrophobicContact CG-CZ 4.41Å
135P91.1Very high91Very high29 Ų2976.6 Ų76.619%0.18838%0.382CS..PPolyproline II helixtrans-52.4136.3162.6-23.123000111.6N80 F85 S137 I138N80-P135 WeakPolarHBondContact OD1-CG 3.25Å; F85-P135 HydrophobicContact CD2-CG 3.97Å; F85-P135 HydrophobicContact CE2-CG 4.49Å; P135-S137 PolarHBondContact O-N 3.32Å; P135-I138 HydrophobicContact CB-CD1 4.14Å; P135-I138 HydrophobicContact CB-CG1 4.18Å; P135-I138 VanDerWaalsContact CD-CD1 3.45Å; P135-I138 HydrophobicContact CG-CD1 3.86Å; P135-I138 HydrophobicContact CG-CG1 4.34Å; P135-I138 PolarHBondContact O-N 2.84Å; P135-I138 VanDerWaalsContact O-N 3.12Å
136Q87.7Confident91.4Very high186 Ų18674.3 Ų74.387%0.86938%0.377SS*.THydrogen-bonded Turntrans-58.8-12174.9-66.9178.3-20.300114.4L134L134-Q136 PolarHBondContact O-N 3.05Å
137S88.3Confident91.7Very high21 Ų2172.6 Ų72.615%0.14738%0.375CS..THydrogen-bonded Turntrans-93.57.6-178.748.60000113.2P135 K159 V160P135-S137 PolarHBondContact O-N 3.32Å; S137-K159 CarbonylContact O-C 3.5Å; S137-K159 WeakPolarHBondContact O-CA 3.3Å; S137-V160 PolarHBondContact O-N 3.48Å
138I90.6Very high91.9Very high20 Ų2069.3 Ų69.310%0.10336%0.362CS..BIsolated β-bridgetrans-82.2137.4-178.8-71.9171.8000110.9F85 L134 P135 P140 F143 A157 K159F85-I138 HydrophobicContact CB-CD1 3.49Å; F85-I138 VanDerWaalsContact CB-CD1 3.49Å; F85-I138 HydrophobicContact CB-CG1 4.12Å; F85-I138 HydrophobicContact CD1-CD1 3.8Å; F85-I138 HydrophobicContact CD2-CD1 4.22Å; F85-I138 HydrophobicContact CG-CD1 3.58Å; L134-I138 HydrophobicContact CB-CD1 4.18Å; L134-I138 HydrophobicContact CD2-CD1 3.73Å; P135-I138 HydrophobicContact CB-CD1 4.14Å; P135-I138 HydrophobicContact CB-CG1 4.18Å; P135-I138 VanDerWaalsContact CD-CD1 3.45Å; P135-I138 HydrophobicContact CG-CD1 3.86Å; P135-I138 HydrophobicContact CG-CG1 4.34Å; P135-I138 PolarHBondContact O-N 2.84Å; P135-I138 VanDerWaalsContact O-N 3.12Å; I138-P140 WeakPolarHBondContact O-CD 3.39Å; I138-F143 HydrophobicContact CG2-CE2 3.67Å; I138-F143 HydrophobicContact CG2-CZ 3.73Å; I138-A157 HydrophobicContact CG2-CB 3.69Å; I138-K159 HydrophobicContact CG1-CG 4.18Å
139N87.9Confident92Very high57 Ų5773.2 Ų73.231%0.30539%0.39SS..  trans-79.7114.3167.5-177.80.7000109.3E141 S142 A158 V160N139-E141 PolarHBondContact O-N 2.87Å; N139-E141 PolarHBondContact OD1-N 2.81Å; N139-E141 VanDerWaalsContact OD1-N 3.14Å; N139-S142 WeakPolarHBondContact O-CB 3.24Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 2.88Å; N139-A158 PolarHBondContact N-O 2.94Å; N139-V160 HydrophobicContact CB-CG2 3.65Å
140P87.9Confident91.9Very high93 Ų9373.8 Ų73.860%0.60439%0.39SS*.G310 helixtrans-63.1-24.6-178.526.6-35.6000113.6I138 S142 F143I138-P140 WeakPolarHBondContact O-CD 3.39Å; P140-S142 VanDerWaalsContact C-N 3.27Å; P140-S142 PolarHBondContact O-N 3.46Å; P140-F143 WeakPolarHBondContact O-CD2 3.48Å
141E90Very high91.8Very high177 Ų17772.6 Ų72.683%0.82739%0.389SS*.G310 helixtrans-80.4-12.1177.5-62.3-177.217200112.8N139N139-E141 PolarHBondContact O-N 2.87Å; N139-E141 PolarHBondContact OD1-N 2.81Å; N139-E141 VanDerWaalsContact OD1-N 3.14Å
142S92.9Very high91.8Very high23 Ų2372.8 Ų72.816%0.16138%0.381CS..G310 helixtrans-88.4-1.9-175.774.80000114.5N139 P140 K144 A158N139-S142 WeakPolarHBondContact O-CB 3.24Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 2.88Å; P140-S142 VanDerWaalsContact C-N 3.27Å; P140-S142 PolarHBondContact O-N 3.46Å; S142-K144 PolarHBondContact O-N 3.5Å; S142-A158 PolarHBondContact OG-N 3.49Å; S142-A158 PolarHBondContact OG-O 3.04Å
143F95Very high91.7Very high47 Ų4773 Ų7321%0.20638%0.383CS..  trans-63131.6179.9-83.2-78000111.4T103 L108 L134 I138 P140 I155 E156 A157T103-F143 HydrophobicContact CG2-CD2 4.19Å; T103-F143 HydrophobicContact CG2-CE2 3.85Å; T103-F143 HydrophobicContact CG2-CZ 4.06Å; L108-F143 HydrophobicContact CD1-CE1 4.27Å; L108-F143 HydrophobicContact CD2-CE1 4.49Å; L134-F143 HydrophobicContact CD1-CE2 4.32Å; L134-F143 HydrophobicContact CD1-CZ 3.82Å; L134-F143 HydrophobicContact CD2-CE1 4.19Å; L134-F143 HydrophobicContact CD2-CZ 3.68Å; L134-F143 HydrophobicContact CG-CZ 4.41Å; I138-F143 HydrophobicContact CG2-CE2 3.67Å; I138-F143 HydrophobicContact CG2-CZ 3.73Å; P140-F143 WeakPolarHBondContact O-CD2 3.48Å; F143-I155 HydrophobicContact CD1-CG2 3.97Å; F143-I155 HydrophobicContact CE1-CG2 4.43Å; F143-E156 CarbonylContact C-O 3.37Å; F143-E156 WeakPolarHBondContact CA-O 3.02Å; F143-A157 HydrophobicContact CD1-CB 3.6Å; F143-A157 HydrophobicContact CD2-CB 4.23Å; F143-A157 HydrophobicContact CE1-CB 3.58Å; F143-A157 HydrophobicContact CE2-CB 4.21Å; F143-A157 HydrophobicContact CG-CB 3.92Å; F143-A157 HydrophobicContact CZ-CB 3.89Å
144K95.7Very high91.8Very high139 Ų13966.4 Ų66.460%0.60436%0.361SS*.EExtended strand (participates in β ladder)trans-134.2141.5173.3-63.4-179-176.3179.20109.2S142 I155 E156S142-K144 PolarHBondContact O-N 3.5Å; K144-I155 CarbonylContact O-C 3.54Å; K144-I155 WeakPolarHBondContact O-CA 3.41Å; K144-E156 HydrophobicContact CB-CG 4.19Å; K144-E156 PolarHBondContact N-O 2.77Å; K144-E156 PolarHBondContact O-N 2.8Å
145S94.4Very high91.9Very high78 Ų7865.3 Ų65.355%0.54536%0.355SS..EExtended strand (participates in β ladder)trans-119.2144.2174.359.70000110.4T154S145-T154 CarbonylContact C-O 3.56Å; S145-T154 WeakPolarHBondContact CA-O 3.5Å
146N94.3Very high92.2Very high104 Ų10467.8 Ų67.856%0.55636%0.364SS*.EExtended strand (participates in β ladder)trans-140.1134.2175.6-171.2-77.8000109.3T154N146-T154 PolarHBondContact N-O 2.82Å; N146-T154 PolarHBondContact O-N 2.72Å
147L93Very high92.5Very high56 Ų5659.1 Ų59.129%0.29333%0.325SS..EExtended strand (participates in β ladder)trans-111.7111.8173.3-178.461.6000109V91 R96 F99 L153V91-L147 HydrophobicContact CG2-CD1 3.64Å; R96-L147 HydrophobicContact CB-CD2 3.56Å; R96-L147 HydrophobicContact CG-CD2 3.68Å; F99-L147 HydrophobicContact CE2-CD2 4.02Å; L147-L153 HydrophobicContact CB-CD1 4.45Å; L147-L153 HydrophobicContact CD1-CB 4.11Å
148S92.5Very high92.8Very high25 Ų2560.4 Ų60.418%0.17534%0.337CS..  trans-77.4154.5-179.854.10000111.7N150 G151 L152S148-N150 WeakPolarHBondContact CB-OD1 3.37Å; S148-N150 PolarHBondContact O-N 2.8Å; S148-N150 PolarHBondContact OG-OD1 3.4Å; S148-G151 PolarHBondContact O-N 2.82Å; S148-L152 PolarHBondContact N-O 3.14Å; S148-L152 WeakPolarHBondContact OG-CA 3.46Å; S148-L152 VanDerWaalsContact OG-CB 3.27Å; S148-L152 WeakPolarHBondContact OG-CB 3.34Å; S148-L152 PolarHBondContact OG-N 3.31Å; S148-L152 PolarHBondContact OG-O 3.43Å
149P91.1Very high92.9Very high109 Ų10961 Ų6171%0.70834%0.338SS*.THydrogen-bonded Turntrans-64.1-23.8-174.424-34.5000113.9R96 G151R96-P149 PolarHBondContact NH2-O 3.07Å; P149-G151 PolarHBondContact O-N 3.49Å
150N90.2Very high92.7Very high98 Ų9862.6 Ų62.652%0.52435%0.35SS..THydrogen-bonded Turntrans-80.22.8175.667.1-7.9000113.5T92 S148 L152T92-N150 PolarHBondContact OG1-O 3.04Å; S148-N150 WeakPolarHBondContact CB-OD1 3.37Å; S148-N150 PolarHBondContact O-N 2.8Å; S148-N150 PolarHBondContact OG-OD1 3.4Å; N150-L152 WeakPolarHBondContact ND2-CD1 3.41Å; N150-L152 PolarHBondContact OD1-N 3.04Å
151G90.2Very high91.9Very high9 Ų961.1 Ų61.19%0.09335%0.351CS..SBendtrans8916.4176.500000115V91 T92 S148 P149V91-G151 CarbonylContact C-O 3.57Å; V91-G151 WeakPolarHBondContact CA-O 3.32Å; V91-G151 WeakPolarHBondContact CG2-O 3.11Å; V91-G151 PolarHBondContact N-O 2.93Å; T92-G151 PolarHBondContact N-O 2.92Å; S148-G151 PolarHBondContact O-N 2.82Å; P149-G151 PolarHBondContact O-N 3.49Å
152L92.5Very high90.5Very high59 Ų5961.6 Ų61.631%0.30935%0.346SS..EExtended strand (participates in β ladder)trans-93.1118.3172.3-53.5174.4000110.7T88 L89 D90 S148 N150T88-L152 HydrophobicContact CG2-CB 4.14Å; L89-L152 WeakPolarHBondContact O-CA 2.97Å; D90-L152 HydrophobicContact CB-CD2 4.03Å; S148-L152 PolarHBondContact N-O 3.14Å; S148-L152 WeakPolarHBondContact OG-CA 3.46Å; S148-L152 VanDerWaalsContact OG-CB 3.27Å; S148-L152 WeakPolarHBondContact OG-CB 3.34Å; S148-L152 PolarHBondContact OG-N 3.31Å; S148-L152 PolarHBondContact OG-O 3.43Å; N150-L152 WeakPolarHBondContact ND2-CD1 3.41Å; N150-L152 PolarHBondContact OD1-N 3.04Å
153L94.2Very high88.7Confident8 Ų867.8 Ų67.84%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-86117.7170.4177.963.8000108.9T88 L89 V91 I110 L147 I155T88-L153 CarbonylContact C-O 3.53Å; T88-L153 WeakPolarHBondContact CA-O 3.39Å; L89-L153 HydrophobicContact CB-CB 4.26Å; L89-L153 PolarHBondContact N-O 3.3Å; L89-L153 PolarHBondContact O-N 3.44Å; V91-L153 HydrophobicContact CG1-CB 4.25Å; V91-L153 HydrophobicContact CG2-CB 3.92Å; I110-L153 HydrophobicContact CG2-CD2 3.98Å; L147-L153 HydrophobicContact CB-CD1 4.45Å; L147-L153 HydrophobicContact CD1-CB 4.11Å; L153-I155 HydrophobicContact CD2-CD1 4.36Å; L153-I155 HydrophobicContact CG-CD1 4.48Å; L153-I155 HydrophobicContact CG-CG1 4.41Å
154T95.4Very high86.8Confident30 Ų3072.6 Ų72.618%0.18440%0.399CS..EExtended strand (participates in β ladder)trans-110.6129.3175.2-58.60000109.9Q86 V87 S145 N146Q86-T154 HydrophobicContact CG-CG2 3.78Å; V87-T154 CarbonylContact O-C 3.52Å; V87-T154 WeakPolarHBondContact O-CA 3.27Å; S145-T154 CarbonylContact C-O 3.56Å; S145-T154 WeakPolarHBondContact CA-O 3.5Å; N146-T154 PolarHBondContact N-O 2.82Å; N146-T154 PolarHBondContact O-N 2.72Å
155I96Very high85.1Confident4 Ų470.5 Ų70.52%0.02140%0.402CS..EExtended strand (participates in β ladder)trans-122.7125.1174.5-60.4161.7000107.3Q86 V87 I101 L108 I110 F143 K144 L153Q86-I155 CarbonylContact C-O 3.49Å; Q86-I155 VanDerWaalsContact CA-O 3.26Å; Q86-I155 WeakPolarHBondContact CA-O 3.32Å; V87-I155 PolarHBondContact N-O 3.01Å; V87-I155 PolarHBondContact O-N 2.85Å; I101-I155 HydrophobicContact CD1-CD1 3.61Å; I101-I155 HydrophobicContact CD1-CG1 3.88Å; I101-I155 HydrophobicContact CG1-CD1 3.96Å; I101-I155 HydrophobicContact CG2-CD1 4Å; L108-I155 HydrophobicContact CD1-CG2 4.31Å; L108-I155 HydrophobicContact CD2-CB 4.34Å; L108-I155 HydrophobicContact CD2-CD1 4.29Å; L108-I155 HydrophobicContact CD2-CG2 3.85Å; I110-I155 HydrophobicContact CD1-CD1 3.31Å; I110-I155 HydrophobicContact CG1-CD1 3.64Å; F143-I155 HydrophobicContact CD1-CG2 3.97Å; F143-I155 HydrophobicContact CE1-CG2 4.43Å; K144-I155 CarbonylContact O-C 3.54Å; K144-I155 WeakPolarHBondContact O-CA 3.41Å; L153-I155 HydrophobicContact CD2-CD1 4.36Å; L153-I155 HydrophobicContact CG-CD1 4.48Å; L153-I155 HydrophobicContact CG-CG1 4.41Å
156E95.8Very high83.9Confident81 Ų8172.9 Ų72.938%0.37941%0.412SS..EExtended strand (participates in β ladder)trans-130.7150.5-178.662.6176.4-16700111.8F85 Q86 F143 K144F85-E156 CarbonylContact O-C 3.52Å; F85-E156 VanDerWaalsContact O-CA 3.26Å; F85-E156 WeakPolarHBondContact O-CA 3.26Å; Q86-E156 HydrophobicContact CB-CB 4.24Å; Q86-E156 HydrophobicContact CG-CB 4.22Å; F143-E156 CarbonylContact C-O 3.37Å; F143-E156 WeakPolarHBondContact CA-O 3.02Å; K144-E156 HydrophobicContact CB-CG 4.19Å; K144-E156 PolarHBondContact N-O 2.77Å; K144-E156 PolarHBondContact O-N 2.8Å
157A95.5Very high83.1Confident4 Ų476.6 Ų76.63%0.03343%0.426CS..EExtended strand (participates in β ladder)trans-144.7146.3173.800000110.6K84 F85 I138 F143K84-A157 CarbonylContact C-O 3.52Å; K84-A157 VanDerWaalsContact CA-O 3.32Å; K84-A157 WeakPolarHBondContact CA-O 3.08Å; F85-A157 PolarHBondContact N-O 2.84Å; F85-A157 PolarHBondContact O-N 2.76Å; I138-A157 HydrophobicContact CG2-CB 3.69Å; F143-A157 HydrophobicContact CD1-CB 3.6Å; F143-A157 HydrophobicContact CD2-CB 4.23Å; F143-A157 HydrophobicContact CE1-CB 3.58Å; F143-A157 HydrophobicContact CE2-CB 4.21Å; F143-A157 HydrophobicContact CG-CB 3.92Å; F143-A157 HydrophobicContact CZ-CB 3.89Å
158A93.9Very high82.5Confident48 Ų4881.1 Ų81.140%0.39745%0.446SS..EExtended strand (participates in β ladder)trans-79.7143.4173.600000110.4N139 S142N139-A158 PolarHBondContact N-O 2.94Å; S142-A158 PolarHBondContact OG-N 3.49Å; S142-A158 PolarHBondContact OG-O 3.04Å
159K92.1Very high82.2Confident33 Ų3388.8 Ų88.814%0.14348%0.476CS..BIsolated β-bridgetrans-87130.9169.2-67.5-176.2-178.4174.40109.8N80 D81 K83 S137 I138 G161N80-K159 WeakPolarHBondContact OD1-CE 3.33Å; N80-K159 PolarHBondContact OD1-NZ 2.92Å; D81-K159 VanDerWaalsContact O-CD 3.24Å; D81-K159 WeakPolarHBondContact O-CD 3.46Å; D81-K159 WeakPolarHBondContact O-CE 3.29Å; D81-K159 PolarHBondContact O-NZ 2.81Å; K83-K159 PolarHBondContact O-N 3.08Å; S137-K159 CarbonylContact O-C 3.5Å; S137-K159 WeakPolarHBondContact O-CA 3.3Å; I138-K159 HydrophobicContact CG1-CG 4.18Å; K159-G161 PolarHBondContact O-N 3.1Å; K159-G161 VanDerWaalsContact O-N 3.11Å
160V84.4Confident82.1Confident90 Ų9090.4 Ų90.455%0.54548%0.477SS..  trans-60.7111.7162-171.70000105.9S137 N139 R162S137-V160 PolarHBondContact O-N 3.48Å; N139-V160 HydrophobicContact CB-CG2 3.65Å; V160-R162 PolarHBondContact O-N 3.09Å
161G70.1Confident82.1Confident61 Ų6190.5 Ų90.563%0.62948%0.483SS*.  trans-48.8130.1-174.800000110.7K159 L163K159-G161 PolarHBondContact O-N 3.1Å; K159-G161 VanDerWaalsContact O-N 3.11Å; G161-L163 PolarHBondContact O-N 3.34Å
162R60.5Low82Confident188 Ų18897.1 Ų97.171%0.70952%0.515SS*.  trans-59.5117.4174.2-75.4-170.6-173.5-156.32.1108.3V160 H164V160-R162 PolarHBondContact O-N 3.09Å; R162-H164 PolarHBondContact O-N 3.24Å
163L55.8Low82Confident153 Ų153103.6 Ų103.680%0.80154%0.541SS*.SBendtrans-60.685.1151-83.8159.8000106.9G161G161-L163 PolarHBondContact O-N 3.34Å
164H54.9Low81.8Confident148 Ų148113.7 Ų113.769%0.68558%0.578SS**  trans77.2101.8157.6-39.4-9.1000114R162 V166R162-H164 PolarHBondContact O-N 3.24Å; H164-V166 VanDerWaalsContact C-N 3.32Å; H164-V166 PolarHBondContact O-N 3.09Å
165S59.9Low81.4Confident95 Ų95118.3 Ų118.366%0.66461%0.609SS**  trans-67.491.7163.5-51.60000108.3E167S165-E167 PolarHBondContact O-N 3.32Å
166V68.8Low80.8Confident127 Ų127128.2 Ų128.277%0.7765%0.652SS**  trans-68.8105.9171-177.90000107.2H164 H168H164-V166 VanDerWaalsContact C-N 3.32Å; H164-V166 PolarHBondContact O-N 3.09Å; V166-H168 PolarHBondContact O-N 3.2Å
167E79Confident79.9Confident182 Ų182137.6 Ų137.685%0.8569%0.691SS**  trans-62.1118.8171.3-176.5179.6175.200108.5S165S165-E167 PolarHBondContact O-N 3.32Å
168H79.4Confident79.1Confident152 Ų152144.3 Ų144.370%0.70472%0.724SS**  trans-107.4111.3176.2-166.9-78.5000109.7V166 I170V166-H168 PolarHBondContact O-N 3.2Å; H168-I170 PolarHBondContact O-N 3.07Å
169K87.3Confident78.4Confident186 Ų186149.3 Ų149.381%0.80974%0.741SS**  trans-72.7116.8175.4-172.5174.1-177.31760109.7P171K169-P171 WeakPolarHBondContact O-CD 3.47Å
170I88.8Confident77.6Confident142 Ų142155.8 Ų155.873%0.72877%0.774SS**  trans-88.8112.5175.9-57173000108.5H168H168-I170 PolarHBondContact O-N 3.07Å
171P89.3Confident77.2Confident100 Ų100159.6 Ų159.665%0.64979%0.788SS**  trans-75.2129.7179.729.7-33.3000111.4K169K169-P171 WeakPolarHBondContact O-CD 3.47Å
172I89.6Confident77.6Confident149 Ų149165.8 Ų165.876%0.76480%0.798SS**  trans-83.4115171.6-59.4171000108.7
173K92.2Very high78.8Confident195 Ų195164.3 Ų164.385%0.84880%0.804SS**PPolyproline II helixtrans-87.3123.6170.1-66.9-177.9-179.1177.60109.2
174R89.8Confident80.4Confident219 Ų219165.1 Ų165.183%0.82680%0.804SS**PPolyproline II helixtrans-97.2139.6169-63.3-179-176171.20.8109.1
175P86Confident82.4Confident128 Ų128166.5 Ų166.583%0.83181%0.813SS**PPolyproline II helixtrans-63.7141.9174.526.6-32.6000110.4
176K83.7Confident84.3Confident211 Ų211172.4 Ų172.492%0.91783%0.825SS**PPolyproline II helixtrans-73.7135.3173.8-66.4-171.7-178.6-177.90109.1
177K77.5Confident85.7Confident278 Ų278176.5 Ų176.5100%1.20983%0.831SS**  trans-75.90174.3-169179.2-178-1790110.6

Retrieved 177 of 177 residues in 252.5 ms (Link to these results)