A0A096NGF7_PAPAN Loading...

Myosin-binding protein H-like

Myosin-binding protein which plays a role in cardiac function. Seems to regulate conduction in the atria and ventricular conduction systems.

AlphaFold DB , UniProt , Accession A0A096NGF7, Species PAPAN (Papio anubis, Olive baboon), Gene MYBPHL, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M41.5Very low35.4Very low240 Ų240139.7 Ų139.7100%1.18286%0.856SS**  068.10-71.7-171.2-101.600106.5
2E32Very low35.2Very low189 Ų189133.4 Ų133.488%0.88384%0.84SS**  69.912159.3-142.5-176.8178.600113
3A30.8Very low35.3Very low89 Ų89131.5 Ų131.574%0.73683%0.833SS**  trans67.2115.6156.400000120.1
4A33.5Very low35.3Very low106 Ų106136.2 Ų136.288%0.87684%0.84SS**  -160.7101.8110.400000109.9
5T34.7Very low35.3Very low139 Ų139138.5 Ų138.585%0.85384%0.843SS**PPolyproline II helixtrans-75132.7174-400000109.7
6A37.5Very low35.4Very low88 Ų88142.8 Ų142.873%0.72785%0.847SS**PPolyproline II helixtrans-92.5137.2165.500000109.3
7P36.7Very low35.5Very low124 Ų124142.3 Ų142.381%0.80585%0.845SS**PPolyproline II helixtrans-79.3138.8-176.930.6-31.5000112.1
8E35.3Very low35.5Very low191 Ų191145.1 Ų145.189%0.89384%0.844SS**PPolyproline II helixtrans-69.7130.1175.7-156.9173.2-176.500110.3A10E8-A10 PolarHBondContact O-N 2.88Å
9V35.7Very low35.5Very low131 Ų131147.2 Ų147.279%0.79485%0.845SS**  trans-78.4110.4176.9175.60000108.7V11V9-V11 PolarHBondContact O-N 3.11Å
10A35.1Very low35.7Very low96 Ų96146.5 Ų146.579%0.79384%0.843SS**  trans-68.2116171.200000110.5E8 G12E8-A10 PolarHBondContact O-N 2.88Å; A10-G12 PolarHBondContact O-N 3.05Å
11V36.8Very low35.8Very low144 Ų144144.2 Ų144.287%0.87384%0.837SS**  trans-78.4103.5168.61780000108.1V9V9-V11 PolarHBondContact O-N 3.11Å
12G33.5Very low35.8Very low64 Ų64139.2 Ų139.266%0.6682%0.822SS**  trans-82.7111.1176.800000112.9A10A10-G12 PolarHBondContact O-N 3.05Å
13S36.2Very low36.4Very low108 Ų108134.1 Ų134.176%0.75581%0.812SS**  trans44.3104.5144.161.10000119.9
14E35.2Very low37.1Very low198 Ų198138 Ų13893%0.92582%0.821SS**  trans-66.4122.3155.6-70.6179.4122.900110.8K16E14-K16 PolarHBondContact O-N 3.48Å
15L35.1Very low37.4Very low170 Ų170137.9 Ų137.989%0.8982%0.82SS**  trans-75.2105.1168.1-88.3157.9000109.4V17L15-V17 PolarHBondContact O-N 3.28Å
16K36.3Very low37.9Very low207 Ų207140 Ų14090%0.982%0.82SS**  trans-77.7100.2174.7-138.7172.3-171.7174.90109.3E14 K18E14-K16 PolarHBondContact O-N 3.48Å; K16-K18 PolarHBondContact O-N 2.98Å
17V38.1Very low38Very low135 Ų135141.2 Ų141.282%0.81882%0.82SS**  trans-72.6113.4169.5179.10000107.9L15 E19L15-V17 PolarHBondContact O-N 3.28Å; V17-E19 PolarHBondContact O-N 3.34Å
18K35Very low38.4Very low192 Ų192141.2 Ų141.284%0.83582%0.821SS**  trans-74.6108.7168.4-107.7-179.1173-177.80108K16 V20K16-K18 PolarHBondContact O-N 2.98Å; K18-V20 PolarHBondContact O-N 2.72Å
19E36.1Very low38.6Very low185 Ų185141.2 Ų141.286%0.86482%0.821SS**  trans-61.4124.1156.9-92.2177.2142.800108.5V17V17-E19 PolarHBondContact O-N 3.34Å
20V39.2Very low38.6Very low133 Ų133139.8 Ų139.881%0.80682%0.822SS**  trans-100.8108.9168.8178.90000107K18K18-V20 PolarHBondContact O-N 2.72Å
21S37.3Very low38.9Very low100 Ų100140.7 Ų140.770%0.69982%0.823SS**  trans-71.4140.3172.2-48.20000110.4A23S21-A23 PolarHBondContact O-N 3.4Å
22P41.6Very low39.5Very low134 Ų134140.4 Ų140.487%0.8782%0.824SS**  trans-91.7101.3178.833.8-27.1000109.8
23A45Very low40.1Very low83 Ų83140.6 Ų140.669%0.68683%0.826SS**  trans-151.7141.1161.600000108.6S21S21-A23 PolarHBondContact O-N 3.4Å
24D44.7Very low40.5Very low170 Ų170145.2 Ų145.291%0.90984%0.836SS**  trans83.860.2-179.5-48.2-26.5000115.9
25A40.5Very low41.1Very low104 Ų104139.4 Ų139.486%0.8683%0.829SS**  trans-97.9109.4151.800000109
26E44.7Very low41.7Very low183 Ų183136.7 Ų136.786%0.85583%0.831SS**PPolyproline II helixtrans-64.1139172.1-145.2176.1178.800110
27P40.1Very low42.7Very low113 Ų113129.9 Ų129.973%0.73482%0.82SS**PPolyproline II helixtrans-72.4133.7-178.227.3-31.6000110.9
28P44.8Very low43.4Very low125 Ų125128.5 Ų128.581%0.81282%0.816SS**PPolyproline II helixtrans-72.2133.6177.227.8-31000110.9
29Q40.5Very low44.7Very low191 Ų191125.3 Ų125.389%0.89382%0.815SS**PPolyproline II helixtrans-63.7132.6169.9-71.6-167.5-44.300110.8
30A35.5Very low46.4Very low101 Ų101122.2 Ų122.284%0.83581%0.809SS**PPolyproline II helixtrans-85.8124.4176.700000111.3
31S40.8Very low47.7Very low114 Ų114121.8 Ų121.880%0.79781%0.809SS**  trans-105.1136.7164.3-58.40000109
32P49.6Very low49.4Very low138 Ų138126 Ų12690%0.89682%0.817SS**  trans-85.5123.7-176.631.9-29.6000110.9
33G45Very low51.1Low69 Ų69127.7 Ų127.771%0.71182%0.819SS**  trans-178.6101.8174.300000115.8
34Q45.2Very low52.4Low204 Ų204131.2 Ų131.295%0.95383%0.825SS**  trans78.8122.5146.2-60179.9-5.900120.5
35G47.8Very low53.8Low76 Ų76128.2 Ų128.278%0.78481%0.814SS**  trans83.685.3144.500000116.5G37G35-G37 VanDerWaalsContact C-N 3.28Å; G35-G37 PolarHBondContact O-N 2.79Å
36A47.4Very low55.4Low113 Ų113128.5 Ų128.593%0.93481%0.808SS**  trans-70.382.6166.700000110.8
37G57.3Low56.8Low65 Ų65125.4 Ų125.467%0.6780%0.796SS**PPolyproline II helixtrans-70.1128.9155.300000108.4G35G35-G37 VanDerWaalsContact C-N 3.28Å; G35-G37 PolarHBondContact O-N 2.79Å
38S53.2Low58.8Low105 Ų105127.7 Ų127.773%0.73480%0.797SS**PPolyproline II helixtrans-55.7132.1173.159.80000109.2T40S38-T40 PolarHBondContact O-N 2.84Å; S38-T40 VanDerWaalsContact O-N 3.11Å
39P63Low60.9Low125 Ų125123.7 Ų123.781%0.81277%0.767SS**PPolyproline II helixtrans-63.2119.5177.625.2-31.4000109.1
40T70.4Confident63.3Low121 Ų121120.9 Ų120.974%0.74275%0.754SS**PPolyproline II helixtrans-62.5125.4172.5-37.40000108.3S38 Q42S38-T40 PolarHBondContact O-N 2.84Å; S38-T40 VanDerWaalsContact O-N 3.11Å; T40-Q42 PolarHBondContact O-N 3.05Å
41P67.4Low66.2Low123 Ų123117 Ų11780%0.79972%0.72SS**  trans-60.2115.4177.5-20.130.5000109.8L43P41-L43 PolarHBondContact O-N 3.29Å
42Q72.6Confident68.8Low188 Ų188116.9 Ų116.988%0.87971%0.705SS**PPolyproline II helixtrans-80.9116169.4-69.6-168.3-1800108.3T40 L44T40-Q42 PolarHBondContact O-N 3.05Å; Q42-L44 PolarHBondContact O-N 3.03Å
43L76.9Confident71.1Confident171 Ų171111.6 Ų111.690%0.89567%0.669SS**PPolyproline II helixtrans-63120.3168.5-85.3149.9000108.1P41P41-L43 PolarHBondContact O-N 3.29Å
44L72.3Confident73.6Confident157 Ų157113.8 Ų113.882%0.82266%0.656SS**PPolyproline II helixtrans-56.3141168.9-73168.4000108.8Q42Q42-L44 PolarHBondContact O-N 3.03Å
45P74.1Confident76Confident106 Ų106105.8 Ų105.869%0.68862%0.62SS**PPolyproline II helixtrans-55.7144.617323.9-32000109.4I47P45-I47 PolarHBondContact O-N 3.13Å
46P75.2Confident78.2Confident110 Ų110104.6 Ų104.671%0.71460%0.598SS**PPolyproline II helixtrans-54.3138.4178-17.126.3000110.2E48P46-E48 PolarHBondContact O-N 2.82Å
47I73.7Confident80.3Confident119 Ų119109.3 Ų109.361%0.6159%0.591SS**  trans-68.3106.8174-60.3170.1000107.5P45 E49 K80P45-I47 PolarHBondContact O-N 3.13Å; I47-E49 HydrophobicContact CG2-CG 4.03Å; I47-K80 HydrophobicContact CB-CD 4.43Å; I47-K80 HydrophobicContact CG2-CD 4.31Å; I47-K80 WeakPolarHBondContact O-CB 3.48Å
48E82.5Confident81.9Confident160 Ų160109.1 Ų109.175%0.74858%0.583SS**  trans-88.3122.4174.4-69.8-175.1169.900110P46P46-E48 PolarHBondContact O-N 2.82Å
49E88.6Confident83.8Confident42 Ų42104.7 Ų104.720%0.19655%0.551CS.*EExtended strand (participates in β ladder)trans-124.1125.9176.8-66.1173.2-161.700108.5I47 Q78 G79 K80 L129I47-E49 HydrophobicContact CG2-CG 4.03Å; E49-Q78 HydrophobicContact CB-CG 4.09Å; E49-Q78 VanDerWaalsContact CD-NE2 3.26Å; E49-Q78 WeakPolarHBondContact OE2-CG 3.23Å; E49-Q78 PolarHBondContact OE2-NE2 3.01Å; E49-G79 WeakPolarHBondContact O-CA 3.3Å; E49-K80 HydrophobicContact CB-CB 4.05Å; E49-K80 HydrophobicContact CB-CG 4.33Å; E49-K80 HydrophobicContact CG-CB 4.26Å; E49-K80 HydrophobicContact CG-CD 4.22Å; E49-K80 HydrophobicContact CG-CG 4.29Å; E49-K80 PolarHBondContact N-O 2.72Å; E49-K80 PolarHBondContact O-N 2.75Å; E49-K80 WeakPolarHBondContact OE1-CD 3.41Å; E49-K80 VanDerWaalsContact OE1-CE 3.23Å; E49-K80 WeakPolarHBondContact OE1-CE 3.48Å; E49-K80 IonicContact OE1-NZ 2.72Å; E49-K80 PolarHBondContact OE1-NZ 3.44Å; E49-L129 WeakPolarHBondContact O-CD2 3.28Å
50H91.8Very high85.3Confident132 Ų132107.5 Ų107.561%0.61155%0.546SS*.EExtended strand (participates in β ladder)trans-66151.6179.2-73.1-120.8000111.5K52 L132H50-K52 PolarHBondContact O-N 2.82Å; H50-L132 HydrophobicContact CB-CD1 4.43Å; H50-L132 VanDerWaalsContact ND1-CD1 3.25Å; H50-L132 WeakPolarHBondContact ND1-CD1 3.34Å
51P95.3Very high86.4Confident18 Ų18108.4 Ų108.412%0.11754%0.542CS..EExtended strand (participates in β ladder)trans-65.5128177.728-32.6000110.2Q78 V127 L129 L132 A134P51-Q78 VanDerWaalsContact CA-O 3.28Å; P51-Q78 WeakPolarHBondContact CA-O 3.41Å; P51-V127 HydrophobicContact CB-CG1 4.18Å; P51-L129 HydrophobicContact CB-CB 4.24Å; P51-L129 HydrophobicContact CG-CB 4.17Å; P51-L132 HydrophobicContact CG-CB 3.67Å; P51-A134 HydrophobicContact CB-CB 4.06Å
52K95.9Very high87.7Confident112 Ų112105.8 Ų105.849%0.48752%0.523SS..EExtended strand (participates in β ladder)trans-142.1135.7175.6-175.1174.6-178.6173.90109.8H50 W54 F77 Q78H50-K52 PolarHBondContact O-N 2.82Å; K52-W54 HydrophobicContact CD-CZ2 3.89Å; K52-W54 HydrophobicContact CG-CZ2 4.36Å; K52-F77 CarbonylContact O-C 3.54Å; K52-F77 WeakPolarHBondContact O-CA 3.44Å; K52-F77 WeakPolarHBondContact O-CB 3.15Å; K52-Q78 HydrophobicContact CB-CB 4.42Å; K52-Q78 PolarHBondContact N-O 2.84Å; K52-Q78 VanDerWaalsContact N-O 3.16Å; K52-Q78 PolarHBondContact O-N 3.32Å
53I97.5Very high88.9Confident28 Ų2898.9 Ų98.914%0.14449%0.49CS..EExtended strand (participates in β ladder)trans-111.2134.4178.7-59.6171000109.4I75 F77 L125 V127 A134 A136I53-I75 HydrophobicContact CG2-CG2 3.47Å; I53-I75 VanDerWaalsContact CG2-CG2 3.47Å; I53-F77 HydrophobicContact CG1-CB 4.2Å; I53-L125 HydrophobicContact CD1-CD2 4.47Å; I53-L125 HydrophobicContact CD1-CG 4.3Å; I53-V127 HydrophobicContact CD1-CB 4.13Å; I53-V127 HydrophobicContact CD1-CG2 3.7Å; I53-V127 HydrophobicContact CG1-CB 4.23Å; I53-V127 HydrophobicContact CG1-CG2 3.8Å; I53-A134 HydrophobicContact CD1-CB 4.03Å; I53-A134 WeakPolarHBondContact CD1-O 3.38Å; I53-A134 HydrophobicContact CG1-CB 3.97Å; I53-A136 HydrophobicContact CB-CB 4.32Å; I53-A136 HydrophobicContact CD1-CB 4.01Å; I53-A136 HydrophobicContact CG2-CB 3.67Å
54W97Very high89.8Confident115 Ų11593.8 Ų93.844%0.43646%0.463SS..  trans-106.195.8171.7-67.6-87.3000110.3K52 P56 P76 Q78K52-W54 HydrophobicContact CD-CZ2 3.89Å; K52-W54 HydrophobicContact CG-CZ2 4.36Å; W54-P56 VanDerWaalsContact O-CD 3.25Å; W54-P56 WeakPolarHBondContact O-CD 3.16Å; W54-P76 HydrophobicContact CE3-CB 4.35Å; W54-P76 PolarHBondContact N-O 3.16Å; W54-Q78 HydrophobicContact CH2-CB 3.43Å; W54-Q78 VanDerWaalsContact CH2-CB 3.43Å; W54-Q78 HydrophobicContact CH2-CG 4.28Å; W54-Q78 HydrophobicContact CZ3-CB 3.48Å; W54-Q78 VanDerWaalsContact CZ3-CB 3.48Å
55L95.9Very high90.9Very high36 Ų3689.9 Ų89.919%0.18844%0.437CS..  trans-74.5117.6175.2-169.964.2000110.2L59 R60 I75 I138L55-L59 HydrophobicContact CD1-CB 3.75Å; L55-L59 HydrophobicContact CD1-CD1 4.3Å; L55-L59 HydrophobicContact CG-CB 4.1Å; L55-R60 HydrophobicContact CD2-CG 4.19Å; L55-R60 HydrophobicContact CG-CG 4.43Å; L55-I75 HydrophobicContact CD1-CD1 3.96Å; L55-I138 HydrophobicContact CD1-CD1 3.93Å; L55-I138 HydrophobicContact CD1-CG1 3.63Å
56P93.9Very high92Very high50 Ų5089.7 Ų89.733%0.32543%0.425SS..  trans-53.4142.8175.5-2635.1000111.4W54 A58 L59W54-P56 VanDerWaalsContact O-CD 3.25Å; W54-P56 WeakPolarHBondContact O-CD 3.16Å; P56-A58 PolarHBondContact O-N 2.85Å; P56-A58 VanDerWaalsContact O-N 3.11Å; P56-L59 HydrophobicContact CB-CG 4.45Å; P56-L59 HydrophobicContact CG-CD1 4.22Å; P56-L59 PolarHBondContact O-N 2.78Å
57R92.6Very high93Very high213 Ų21386.4 Ų86.480%0.80440%0.403SS*.G310 helixtrans-54.4-36.8-176.3-173.3178.8176.8179.3-0.2112.8L59 R60R57-L59 PolarHBondContact O-N 2.61Å; R57-R60 WeakPolarHBondContact O-CB 3.23Å; R57-R60 PolarHBondContact O-N 2.93Å
58A89.8Confident94Very high60 Ų6082.7 Ų82.750%0.49639%0.394SS..G310 helixtrans-64.5-21.4178.700000114.2P56P56-A58 PolarHBondContact O-N 2.85Å; P56-A58 VanDerWaalsContact O-N 3.11Å
59L94.3Very high94.6Very high12 Ų1277.8 Ų77.86%0.06337%0.373CS..G310 helixtrans-100.12.6-179.7-58.3-176.9000113L55 P56 R57 Q61 Y63 L73 I75 I138L55-L59 HydrophobicContact CD1-CB 3.75Å; L55-L59 HydrophobicContact CD1-CD1 4.3Å; L55-L59 HydrophobicContact CG-CB 4.1Å; P56-L59 HydrophobicContact CB-CG 4.45Å; P56-L59 HydrophobicContact CG-CD1 4.22Å; P56-L59 PolarHBondContact O-N 2.78Å; R57-L59 PolarHBondContact O-N 2.61Å; L59-Q61 VanDerWaalsContact C-N 3.26Å; L59-Y63 HydrophobicContact CD2-CD1 4.43Å; L59-Y63 HydrophobicContact CD2-CD2 3.41Å; L59-Y63 VanDerWaalsContact CD2-CD2 3.41Å; L59-Y63 HydrophobicContact CD2-CE2 3.86Å; L59-Y63 HydrophobicContact CD2-CG 3.71Å; L59-L73 HydrophobicContact CD1-CD2 4.04Å; L59-L73 HydrophobicContact CD2-CD2 3.82Å; L59-I75 HydrophobicContact CD1-CD1 3.45Å; L59-I75 VanDerWaalsContact CD1-CD1 3.45Å; L59-I138 HydrophobicContact CB-CG1 4.34Å; L59-I138 HydrophobicContact CB-CG2 4.4Å; L59-I138 HydrophobicContact CD2-CG2 4.41Å
60R92.9Very high94.9Very high185 Ų18579.4 Ų79.470%0.69839%0.386SS*.SBendtrans-78.4-13.2174-62.4-178.3-172.9-179.6-1113.2L55 R57L55-R60 HydrophobicContact CD2-CG 4.19Å; L55-R60 HydrophobicContact CG-CG 4.43Å; R57-R60 WeakPolarHBondContact O-CB 3.23Å; R57-R60 PolarHBondContact O-N 2.93Å
61Q94Very high95.1Very high140 Ų14073.1 Ų73.165%0.65436%0.356SS*.SBendtrans-116.1169.2173.564.4-174.49.100108.6L59 Y63L59-Q61 VanDerWaalsContact C-N 3.26Å; Q61-Y63 PolarHBondContact O-N 2.84Å; Q61-Y63 VanDerWaalsContact O-N 3.13Å
62T95.9Very high95.2Very high67 Ų6776.5 Ų76.541%0.41137%0.374SS..  trans-54.5120.9176.8-50.90000110.9I64 D139 L141T62-I64 HydrophobicContact CG2-CG1 4.27Å; T62-I64 PolarHBondContact O-N 2.84Å; T62-D139 CarbonylContact C-O 3.42Å; T62-D139 WeakPolarHBondContact CA-O 3.44Å; T62-L141 HydrophobicContact CG2-CB 3.59Å
63Y96.1Very high95.2Very high44 Ų4471.3 Ų71.317%0.17335%0.351CS..EExtended strand (participates in β ladder)trans-85.597.6179.2-172.1-109.9000109.4L59 Q61 R65 V71 L73 D139 I140 L141L59-Y63 HydrophobicContact CD2-CD1 4.43Å; L59-Y63 HydrophobicContact CD2-CD2 3.41Å; L59-Y63 VanDerWaalsContact CD2-CD2 3.41Å; L59-Y63 HydrophobicContact CD2-CE2 3.86Å; L59-Y63 HydrophobicContact CD2-CG 3.71Å; Q61-Y63 PolarHBondContact O-N 2.84Å; Q61-Y63 VanDerWaalsContact O-N 3.13Å; Y63-R65 HydrophobicContact CD1-CG 3.98Å; Y63-R65 HydrophobicContact CE1-CG 3.62Å; Y63-R65 VanDerWaalsContact CE1-NE 3.26Å; Y63-R65 VanDerWaalsContact CE2-NH2 3.27Å; Y63-R65 VanDerWaalsContact CZ-NH2 3.35Å; Y63-R65 PolarHBondContact OH-NE 2.74Å; Y63-R65 PolarHBondContact OH-NH2 2.82Å; Y63-V71 HydrophobicContact CD1-CG1 4.49Å; Y63-V71 HydrophobicContact CE1-CG1 4.07Å; Y63-L73 HydrophobicContact CD1-CD2 4.07Å; Y63-L73 HydrophobicContact CE1-CD2 3.98Å; Y63-D139 PolarHBondContact N-O 3.12Å; Y63-I140 WeakPolarHBondContact O-CA 3.48Å; Y63-L141 PolarHBondContact O-N 3.39Å
64I96Very high95.1Very high64 Ų6474 Ų7433%0.32837%0.365SS..EExtended strand (participates in β ladder)trans-84.7130.8-175.7-58.6176000110.6T62 L141 I143T62-I64 HydrophobicContact CG2-CG1 4.27Å; T62-I64 PolarHBondContact O-N 2.84Å; I64-L141 CarbonylContact C-O 3.56Å; I64-L141 VanDerWaalsContact CA-O 3.29Å; I64-L141 WeakPolarHBondContact CA-O 3.26Å; I64-L141 HydrophobicContact CG1-CB 4.41Å; I64-I143 HydrophobicContact CG2-CD1 3.46Å; I64-I143 VanDerWaalsContact CG2-CD1 3.46Å; I64-I143 HydrophobicContact CG2-CG1 3.79Å; I64-I143 HydrophobicContact CG2-CG2 4.25Å
65R96.6Very high95.2Very high75 Ų7568.5 Ų68.528%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-133.6154.8175.9-71.8-73.6139.6-105.8-18.7110.7Y63 D69 V71 L141 V142 I143Y63-R65 HydrophobicContact CD1-CG 3.98Å; Y63-R65 HydrophobicContact CE1-CG 3.62Å; Y63-R65 VanDerWaalsContact CE1-NE 3.26Å; Y63-R65 VanDerWaalsContact CE2-NH2 3.27Å; Y63-R65 VanDerWaalsContact CZ-NH2 3.35Å; Y63-R65 PolarHBondContact OH-NE 2.74Å; Y63-R65 PolarHBondContact OH-NH2 2.82Å; R65-D69 HydrophobicContact CB-CB 4.31Å; R65-V71 HydrophobicContact CG-CG2 4.08Å; R65-L141 PolarHBondContact N-O 2.87Å; R65-V142 CarbonylContact O-C 3.41Å; R65-V142 VanDerWaalsContact O-CA 3.26Å; R65-V142 WeakPolarHBondContact O-CA 3.38Å; R65-I143 WeakPolarHBondContact O-CG1 3.34Å; R65-I143 PolarHBondContact O-N 3.1Å
66K96.4Very high95.2Very high102 Ų10269.1 Ų69.144%0.44335%0.351SS..EExtended strand (participates in β ladder)trans-88.9153.9172.9-66.4-177.3179.3-178.80110.6G68 D69 I143K66-G68 PolarHBondContact O-N 2.77Å; K66-D69 PolarHBondContact N-OD2 2.85Å; K66-D69 VanDerWaalsContact O-CB 3.22Å; K66-D69 WeakPolarHBondContact O-CB 3.49Å; K66-D69 PolarHBondContact O-N 2.99Å; K66-I143 CarbonylContact C-O 3.56Å; K66-I143 VanDerWaalsContact CA-O 3.26Å; K66-I143 WeakPolarHBondContact CA-O 3.49Å; K66-I143 HydrophobicContact CG-CG1 4.33Å
67V96Very high95.4Very high40 Ų4066.9 Ų66.924%0.24234%0.336CS..THydrogen-bonded Turntrans-53.9134.7169.1173.90000109.5D69 A115 R117 V142 I143 E144V67-D69 VanDerWaalsContact C-N 3.3Å; V67-D69 PolarHBondContact O-N 2.82Å; V67-A115 CarbonylContact C-O 3.54Å; V67-A115 VanDerWaalsContact CA-O 3.31Å; V67-A115 WeakPolarHBondContact CA-O 3.13Å; V67-R117 HydrophobicContact CG2-CG 3.82Å; V67-V142 HydrophobicContact CG2-CG1 3.83Å; V67-I143 PolarHBondContact N-O 3.26Å; V67-E144 HydrophobicContact CB-CB 4.5Å; V67-E144 HydrophobicContact CB-CG 4.32Å; V67-E144 HydrophobicContact CG2-CB 3.84Å; V67-E144 HydrophobicContact CG2-CG 4.1Å
68G95Very high95.5Very high41 Ų4159.7 Ų59.742%0.42331%0.311SS..THydrogen-bonded Turntrans86.5-15.2-175.300000114.9K66 A115K66-G68 PolarHBondContact O-N 2.77Å; G68-A115 PolarHBondContact N-O 2.91Å
69D95.8Very high95.6Very high57 Ų5757.2 Ų57.231%0.30529%0.292SS..PPolyproline II helixtrans-63.8151.9174.5-74.5-12.2000110.7R65 K66 V67 A115R65-D69 HydrophobicContact CB-CB 4.31Å; K66-D69 PolarHBondContact N-OD2 2.85Å; K66-D69 VanDerWaalsContact O-CB 3.22Å; K66-D69 WeakPolarHBondContact O-CB 3.49Å; K66-D69 PolarHBondContact O-N 2.99Å; V67-D69 VanDerWaalsContact C-N 3.3Å; V67-D69 PolarHBondContact O-N 2.82Å; D69-A115 WeakPolarHBondContact O-CB 3.49Å; D69-A115 PolarHBondContact O-N 3.15Å
70T95.1Very high95.4Very high76 Ų7659.8 Ų59.847%0.46630%0.303SS..PPolyproline II helixtrans-89.4130.9168.9-61.70000109.9F111T70-F111 HydrophobicContact CG2-CD2 4.02Å; T70-F111 HydrophobicContact CG2-CE1 4.28Å; T70-F111 HydrophobicContact CG2-CE2 3.18Å; T70-F111 HydrophobicContact CG2-CZ 3.34Å
71V95.9Very high95.2Very high0 Ų055.7 Ų55.70%030%0.3CS..EExtended strand (participates in β ladder)trans-97.9130.1173.9-175.90000108.9Y63 R65 L73 F111 I112 A115 I140Y63-V71 HydrophobicContact CD1-CG1 4.49Å; Y63-V71 HydrophobicContact CE1-CG1 4.07Å; R65-V71 HydrophobicContact CG-CG2 4.08Å; V71-L73 HydrophobicContact CG1-CD2 3.94Å; V71-L73 HydrophobicContact CG1-CG 3.92Å; V71-F111 CarbonylContact O-C 3.55Å; V71-F111 VanDerWaalsContact O-CA 3.29Å; V71-F111 WeakPolarHBondContact O-CA 3.37Å; V71-I112 HydrophobicContact CB-CB 3.82Å; V71-I112 HydrophobicContact CB-CD1 4.09Å; V71-I112 HydrophobicContact CB-CG1 3.94Å; V71-I112 HydrophobicContact CG1-CD1 4.28Å; V71-I112 HydrophobicContact CG1-CG1 4.39Å; V71-I112 HydrophobicContact CG2-CB 4.09Å; V71-I112 HydrophobicContact CG2-CD1 4.16Å; V71-I112 HydrophobicContact CG2-CG1 4.39Å; V71-I112 PolarHBondContact N-O 2.94Å; V71-I112 PolarHBondContact O-N 2.93Å; V71-A115 HydrophobicContact CG2-CB 4.07Å; V71-I140 HydrophobicContact CG1-CD1 4.19Å
72N95.8Very high95Very high90 Ų9055.7 Ų55.748%0.48130%0.298SS..EExtended strand (participates in β ladder)trans-138.199.9176.2-173.228.1000109.8I109 L110 F111N72-I109 WeakPolarHBondContact OD1-CG2 3.19Å; N72-L110 WeakPolarHBondContact CA-O 3.32Å; N72-F111 HydrophobicContact CB-CD2 4.21Å
73L96.6Very high94.9Very high2 Ų252.9 Ų52.91%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-100.7105.5-179.3-53.5-174.6000109.6L59 Y63 V71 I75 W87 I109 L110 I138 I140L59-L73 HydrophobicContact CD1-CD2 4.04Å; L59-L73 HydrophobicContact CD2-CD2 3.82Å; Y63-L73 HydrophobicContact CD1-CD2 4.07Å; Y63-L73 HydrophobicContact CE1-CD2 3.98Å; V71-L73 HydrophobicContact CG1-CD2 3.94Å; V71-L73 HydrophobicContact CG1-CG 3.92Å; L73-I75 HydrophobicContact CB-CD1 4.4Å; L73-W87 HydrophobicContact CD1-CH2 4.3Å; L73-W87 HydrophobicContact CD1-CZ3 4.47Å; L73-I109 CarbonylContact O-C 3.58Å; L73-I109 VanDerWaalsContact O-CA 3.23Å; L73-I109 WeakPolarHBondContact O-CA 3.48Å; L73-L110 HydrophobicContact CB-CB 4.31Å; L73-L110 HydrophobicContact CD1-CD2 4.26Å; L73-L110 HydrophobicContact CG-CD2 4.48Å; L73-L110 PolarHBondContact N-O 2.81Å; L73-L110 PolarHBondContact O-N 2.81Å; L73-I138 HydrophobicContact CD1-CG2 4.17Å; L73-I140 HydrophobicContact CD1-CD1 3.87Å
74L96.4Very high94.8Very high84 Ų8456.6 Ų56.644%0.4430%0.299SS..EExtended strand (participates in β ladder)trans-93113170.2175.474.3000109D107 I109L74-D107 HydrophobicContact CD1-CB 3.9Å; L74-I109 HydrophobicContact CB-CG1 4.49Å; L74-I109 HydrophobicContact CD1-CD1 3.82Å; L74-I109 HydrophobicContact CD1-CG1 3.43Å; L74-I109 VanDerWaalsContact CD1-CG1 3.43Å
75I97.7Very high94.9Very high0 Ų054 Ų540%029%0.287CS..EExtended strand (participates in β ladder)trans-115.2106.7179.8-47.7-56.8000110.1I53 L55 L59 L73 W87 D107 S108 L125 I138I53-I75 HydrophobicContact CG2-CG2 3.47Å; I53-I75 VanDerWaalsContact CG2-CG2 3.47Å; L55-I75 HydrophobicContact CD1-CD1 3.96Å; L59-I75 HydrophobicContact CD1-CD1 3.45Å; L59-I75 VanDerWaalsContact CD1-CD1 3.45Å; L73-I75 HydrophobicContact CB-CD1 4.4Å; I75-W87 HydrophobicContact CB-CZ2 4.45Å; I75-W87 HydrophobicContact CD1-CH2 4.49Å; I75-W87 HydrophobicContact CG1-CH2 3.64Å; I75-W87 HydrophobicContact CG1-CZ2 3.7Å; I75-D107 CarbonylContact O-C 3.5Å; I75-D107 VanDerWaalsContact O-CA 3.32Å; I75-D107 WeakPolarHBondContact O-CA 3.25Å; I75-S108 PolarHBondContact N-O 3.38Å; I75-S108 PolarHBondContact O-N 2.83Å; I75-L125 HydrophobicContact CB-CD2 3.68Å; I75-L125 HydrophobicContact CG1-CD2 4.19Å; I75-L125 HydrophobicContact CG2-CD2 3.56Å; I75-I138 HydrophobicContact CD1-CD1 4.41Å
76P97.3Very high94.9Very high49 Ų4953.3 Ų53.332%0.31829%0.289SS..EExtended strand (participates in β ladder)trans-68.2141.7172.8-19.832.7000112W54 R106W54-P76 HydrophobicContact CE3-CB 4.35Å; W54-P76 PolarHBondContact N-O 3.16Å; P76-R106 CarbonylContact C-O 3.58Å; P76-R106 WeakPolarHBondContact CA-O 3.18Å
77F96.6Very high94.9Very high3 Ų349.1 Ų49.11%0.01327%0.27CS..EExtended strand (participates in β ladder)trans-140.716617163.5-108.3000111.5K52 I53 P83 A85 E105 R106 D107 V127K52-F77 CarbonylContact O-C 3.54Å; K52-F77 WeakPolarHBondContact O-CA 3.44Å; K52-F77 WeakPolarHBondContact O-CB 3.15Å; I53-F77 HydrophobicContact CG1-CB 4.2Å; F77-P83 HydrophobicContact CD2-CG 3.68Å; F77-P83 HydrophobicContact CE2-CG 3.34Å; F77-P83 HydrophobicContact CZ-CG 4.25Å; F77-A85 HydrophobicContact CE1-CB 3.89Å; F77-A85 HydrophobicContact CZ-CB 4.39Å; F77-E105 WeakPolarHBondContact CE2-O 2.99Å; F77-R106 PolarHBondContact N-O 3.48Å; F77-R106 CarbonylContact O-C 3.59Å; F77-R106 WeakPolarHBondContact O-CA 3.39Å; F77-D107 WeakPolarHBondContact CE1-O 3.44Å; F77-D107 WeakPolarHBondContact CZ-O 3.46Å; F77-V127 HydrophobicContact CB-CG1 4.46Å; F77-V127 HydrophobicContact CB-CG2 4.05Å; F77-V127 HydrophobicContact CD1-CG2 3.9Å; F77-V127 HydrophobicContact CD2-CG1 4.18Å; F77-V127 HydrophobicContact CG-CG1 4.23Å; F77-V127 HydrophobicContact CG-CG2 3.97Å
78Q94.5Very high95Very high62 Ų6248.7 Ų48.729%0.2927%0.267SS..EExtended strand (participates in β ladder)trans-122.5153.9173.6177.4176.67.800109.5E49 P51 K52 W54E49-Q78 HydrophobicContact CB-CG 4.09Å; E49-Q78 VanDerWaalsContact CD-NE2 3.26Å; E49-Q78 WeakPolarHBondContact OE2-CG 3.23Å; E49-Q78 PolarHBondContact OE2-NE2 3.01Å; P51-Q78 VanDerWaalsContact CA-O 3.28Å; P51-Q78 WeakPolarHBondContact CA-O 3.41Å; K52-Q78 HydrophobicContact CB-CB 4.42Å; K52-Q78 PolarHBondContact N-O 2.84Å; K52-Q78 VanDerWaalsContact N-O 3.16Å; K52-Q78 PolarHBondContact O-N 3.32Å; W54-Q78 HydrophobicContact CH2-CB 3.43Å; W54-Q78 VanDerWaalsContact CH2-CB 3.43Å; W54-Q78 HydrophobicContact CH2-CG 4.28Å; W54-Q78 HydrophobicContact CZ3-CB 3.48Å; W54-Q78 VanDerWaalsContact CZ3-CB 3.48Å
79G92.1Very high95.1Very high8 Ų848.6 Ų48.68%0.08226%0.256CS..EExtended strand (participates in β ladder)trans165.2133.8175.400000110.1E49 P81 P83E49-G79 WeakPolarHBondContact O-CA 3.3Å; G79-P81 CarbonylContact C-O 3.55Å; G79-P83 WeakPolarHBondContact O-CD 3.46Å
80K90.4Very high95.1Very high67 Ų6750.5 Ų50.529%0.29127%0.266SS..EExtended strand (participates in β ladder)trans-137.4128.9172.2-72.8-172.7-1741530109.8I47 E49I47-K80 HydrophobicContact CB-CD 4.43Å; I47-K80 HydrophobicContact CG2-CD 4.31Å; I47-K80 WeakPolarHBondContact O-CB 3.48Å; E49-K80 HydrophobicContact CB-CB 4.05Å; E49-K80 HydrophobicContact CB-CG 4.33Å; E49-K80 HydrophobicContact CG-CB 4.26Å; E49-K80 HydrophobicContact CG-CD 4.22Å; E49-K80 HydrophobicContact CG-CG 4.29Å; E49-K80 PolarHBondContact N-O 2.72Å; E49-K80 PolarHBondContact O-N 2.75Å; E49-K80 WeakPolarHBondContact OE1-CD 3.41Å; E49-K80 VanDerWaalsContact OE1-CE 3.23Å; E49-K80 WeakPolarHBondContact OE1-CE 3.48Å; E49-K80 IonicContact OE1-NZ 2.72Å; E49-K80 PolarHBondContact OE1-NZ 3.44Å
81P89.3Confident95Very high99 Ų9950 Ų5064%0.64328%0.276SS*.SBendcis-63.7178.2-028.2-36.6000114G79 P83 L129G79-P81 CarbonylContact C-O 3.55Å; P81-P83 WeakPolarHBondContact O-CD 3.38Å; P81-P83 VanDerWaalsContact O-N 3.07Å; P81-L129 HydrophobicContact CG-CD1 4.09Å; P81-L129 WeakPolarHBondContact O-CD1 3.49Å
82K89.5Confident94.9Very high140 Ų14054.1 Ų54.161%0.60930%0.304SS*.PPolyproline II helixtrans-52.2116.4-173.1-178.4178179.2174.50111G104K82-G104 WeakPolarHBondContact CE-O 3.28Å
83P93.5Very high94.7Very high7 Ų754.1 Ų54.15%0.04532%0.317CS..PPolyproline II helixtrans-78.3160.1-177.834.4-37.6000111.3F77 G79 P81 V127 Q128 L129F77-P83 HydrophobicContact CD2-CG 3.68Å; F77-P83 HydrophobicContact CE2-CG 3.34Å; F77-P83 HydrophobicContact CZ-CG 4.25Å; G79-P83 WeakPolarHBondContact O-CD 3.46Å; P81-P83 WeakPolarHBondContact O-CD 3.38Å; P81-P83 VanDerWaalsContact O-N 3.07Å; P83-V127 HydrophobicContact CB-CG1 3.6Å; P83-V127 HydrophobicContact CG-CG1 3.84Å; P83-Q128 CarbonylContact C-O 3.31Å; P83-Q128 WeakPolarHBondContact CA-O 3.35Å; P83-Q128 WeakPolarHBondContact CB-O 3.39Å; P83-L129 HydrophobicContact CB-CB 4.14Å; P83-L129 HydrophobicContact CB-CD1 4.25Å
84Q95Very high94.5Very high122 Ų12255.4 Ų55.457%0.5732%0.324SS*.EExtended strand (participates in β ladder)trans-94118.7175.7-170.8179.29.200110.1I86 V127 Q128Q84-I86 HydrophobicContact CG-CD1 4.28Å; Q84-I86 HydrophobicContact CG-CG1 4.05Å; Q84-V127 CarbonylContact O-C 3.58Å; Q84-V127 WeakPolarHBondContact O-CA 3.03Å; Q84-Q128 PolarHBondContact N-O 3.13Å; Q84-Q128 PolarHBondContact O-N 2.71Å
85A96.6Very high94Very high9 Ų955.6 Ų55.67%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-98.1123.217600000110.9F77 N103 L125 R126 V127F77-A85 HydrophobicContact CE1-CB 3.89Å; F77-A85 HydrophobicContact CZ-CB 4.39Å; A85-N103 WeakPolarHBondContact CB-OD1 3.1Å; A85-N103 PolarHBondContact O-ND2 2.94Å; A85-L125 HydrophobicContact CB-CD1 3.99Å; A85-R126 WeakPolarHBondContact CA-O 3.21Å; A85-V127 HydrophobicContact CB-CG2 4.4Å
86I96.4Very high93.4Very high62 Ų6261.4 Ų61.432%0.31836%0.361SS..EExtended strand (participates in β ladder)trans-126131.1-176.6-55.4172.7000108.4Q84 R126Q84-I86 HydrophobicContact CG-CD1 4.28Å; Q84-I86 HydrophobicContact CG-CG1 4.05Å; I86-R126 PolarHBondContact N-O 2.82Å; I86-R126 PolarHBondContact O-N 3.39Å
87W97.6Very high92.9Very high14 Ų1463.3 Ų63.35%0.05338%0.375CS..EExtended strand (participates in β ladder)trans-107.8143.6175.5-7487.8000111.6L73 I75 L94 V101 S108 L110 Q124 L125 I138L73-W87 HydrophobicContact CD1-CH2 4.3Å; L73-W87 HydrophobicContact CD1-CZ3 4.47Å; I75-W87 HydrophobicContact CB-CZ2 4.45Å; I75-W87 HydrophobicContact CD1-CH2 4.49Å; I75-W87 HydrophobicContact CG1-CH2 3.64Å; I75-W87 HydrophobicContact CG1-CZ2 3.7Å; W87-L94 HydrophobicContact CB-CD1 3.47Å; W87-L94 VanDerWaalsContact CB-CD1 3.47Å; W87-L94 HydrophobicContact CB-CD2 4.46Å; W87-L94 HydrophobicContact CB-CG 4.05Å; W87-L94 HydrophobicContact CG-CD1 4.35Å; W87-V101 HydrophobicContact CB-CG2 4.35Å; W87-V101 HydrophobicContact CG-CG2 4.21Å; W87-S108 PolarHBondContact NE1-OG 2.95Å; W87-L110 HydrophobicContact CB-CD1 4.3Å; W87-L110 HydrophobicContact CD2-CB 4.19Å; W87-L110 HydrophobicContact CD2-CD1 3.64Å; W87-L110 HydrophobicContact CE3-CB 4.45Å; W87-L110 HydrophobicContact CE3-CD1 3.53Å; W87-L110 HydrophobicContact CG-CD1 4.02Å; W87-L110 HydrophobicContact CH2-CB 4.16Å; W87-L110 HydrophobicContact CZ2-CB 3.89Å; W87-L110 HydrophobicContact CZ3-CB 4.43Å; W87-L110 HydrophobicContact CZ3-CD1 4.02Å; W87-Q124 CarbonylContact C-O 3.54Å; W87-Q124 VanDerWaalsContact CA-O 3.29Å; W87-Q124 WeakPolarHBondContact CA-O 3.45Å; W87-L125 HydrophobicContact CD2-CB 4.05Å; W87-L125 HydrophobicContact CD2-CD1 4.13Å; W87-L125 HydrophobicContact CE3-CB 4.05Å; W87-L125 HydrophobicContact CG-CD1 4.23Å; W87-L125 HydrophobicContact CH2-CB 3.98Å; W87-L125 HydrophobicContact CH2-CD2 4.5Å; W87-L125 HydrophobicContact CZ2-CB 3.95Å; W87-L125 HydrophobicContact CZ2-CD1 4.26Å; W87-L125 HydrophobicContact CZ2-CD2 3.93Å; W87-L125 HydrophobicContact CZ2-CG 4.26Å; W87-L125 HydrophobicContact CZ3-CB 4.01Å; W87-I138 HydrophobicContact CH2-CD1 3.84Å; W87-I138 HydrophobicContact CZ3-CD1 3.78Å
88T97.4Very high92.6Very high30 Ų3066.7 Ų66.718%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-131.2155.217060.20000110.3C92 Y123 Q124T88-C92 CarbonylContact C-O 3.57Å; T88-C92 WeakPolarHBondContact CA-O 3.38Å; T88-C92 WeakPolarHBondContact CB-O 3.17Å; T88-Y123 CarbonylContact O-C 3.51Å; T88-Y123 VanDerWaalsContact O-CA 3.3Å; T88-Y123 WeakPolarHBondContact O-CA 3.19Å; T88-Q124 PolarHBondContact N-O 3.24Å; T88-Q124 PolarHBondContact O-N 2.91Å
89H96.8Very high92.5Very high39 Ų3964.1 Ų64.118%0.18138%0.376CS..EExtended strand (participates in β ladder)trans-124.2120173.2170.7-135.5000108G91 C92 L94 S120 Y123H89-G91 PolarHBondContact O-N 2.93Å; H89-G91 VanDerWaalsContact O-N 3.1Å; H89-C92 PolarHBondContact N-O 3Å; H89-C92 PolarHBondContact O-N 2.81Å; H89-L94 HydrophobicContact CB-CD2 3.6Å; H89-S120 PolarHBondContact NE2-O 3.1Å; H89-Y123 HydrophobicContact CB-CD1 4.14Å; H89-Y123 HydrophobicContact CB-CE1 3.91Å; H89-Y123 AromaticContact CD2-CE2 3.56Å; H89-Y123 AromaticContact CD2-CZ 3.66Å; H89-Y123 AromaticContact CG-CZ 3.85Å
90D95.8Very high92.7Very high97 Ų9766.3 Ų66.352%0.51939%0.39SS..THydrogen-bonded Turntrans50.734.9-175-64.9-35.6000113.8C92 R122D90-C92 VanDerWaalsContact C-N 3.27Å; D90-C92 PolarHBondContact O-N 2.87Å; D90-R122 PolarHBondContact N-O 3.44Å; D90-R122 PolarHBondContact OD1-N 3.43Å
91G92.8Very high93Very high66 Ų6665.7 Ų65.768%0.6839%0.392SS*.THydrogen-bonded Turntrans83.3-6-179.300000114.9H89H89-G91 PolarHBondContact O-N 2.93Å; H89-G91 VanDerWaalsContact O-N 3.1Å
92C94.3Very high93.3Very high86 Ų8668.1 Ų68.158%0.58139%0.388SS*.EExtended strand (participates in β ladder)trans-98.5162.9177.8-69.70000112T88 H89 D90T88-C92 CarbonylContact C-O 3.57Å; T88-C92 WeakPolarHBondContact CA-O 3.38Å; T88-C92 WeakPolarHBondContact CB-O 3.17Å; H89-C92 PolarHBondContact N-O 3Å; H89-C92 PolarHBondContact O-N 2.81Å; D90-C92 VanDerWaalsContact C-N 3.27Å; D90-C92 PolarHBondContact O-N 2.87Å
93A92.4Very high93.6Very high91 Ų9165 Ų6575%0.75238%0.378SS*.EExtended strand (participates in β ladder)trans-63.1145.9169.600000110.5
94L92.8Very high93.5Very high29 Ų2965.7 Ų65.715%0.15239%0.387CS..PPolyproline II helixtrans-63.7141.4-179.5-62.2178.9000112.1W87 H89 T96 V99 V101 L110 Y123W87-L94 HydrophobicContact CB-CD1 3.47Å; W87-L94 VanDerWaalsContact CB-CD1 3.47Å; W87-L94 HydrophobicContact CB-CD2 4.46Å; W87-L94 HydrophobicContact CB-CG 4.05Å; W87-L94 HydrophobicContact CG-CD1 4.35Å; H89-L94 HydrophobicContact CB-CD2 3.6Å; L94-T96 PolarHBondContact O-N 3.27Å; L94-V99 HydrophobicContact CD1-CG1 3.98Å; L94-V101 HydrophobicContact CD1-CG2 3.46Å; L94-V101 VanDerWaalsContact CD1-CG2 3.46Å; L94-L110 HydrophobicContact CD1-CD1 3.84Å; L94-L110 HydrophobicContact CD2-CD1 4.34Å; L94-Y123 HydrophobicContact CD2-CD1 3.99Å; L94-Y123 HydrophobicContact CD2-CE1 3.91Å
95D85.4Confident93.3Very high88 Ų8866.7 Ų66.747%0.47139%0.392SS..  trans-71.1109.6165.1177.31.4000110.1S97 V99D95-S97 VanDerWaalsContact C-N 3.27Å; D95-S97 PolarHBondContact O-N 2.91Å; D95-S97 VanDerWaalsContact OD1-CB 3.28Å; D95-S97 WeakPolarHBondContact OD1-CB 3.29Å; D95-S97 PolarHBondContact OD1-N 2.73Å; D95-S97 PolarHBondContact OD1-OG 3.43Å; D95-S97 PolarHBondContact OD2-OG 2.86Å; D95-S97 VanDerWaalsContact OD2-OG 3.1Å; D95-V99 WeakPolarHBondContact O-CB 3.5Å; D95-V99 WeakPolarHBondContact O-CG2 3.35Å; D95-V99 PolarHBondContact O-N 3.38Å
96T85.8Confident93.1Very high122 Ų12274.2 Ų74.275%0.74842%0.418SS*.THydrogen-bonded Turntrans-80.4-0.2-174.556.50000114.5L94 V99L94-T96 PolarHBondContact O-N 3.27Å; T96-V99 WeakPolarHBondContact CA-O 3.32Å
97S85.8Confident93.1Very high88 Ų8874 Ų7462%0.61542%0.417SS*.THydrogen-bonded Turntrans-66.8-41.8179.663.80000112.9D95D95-S97 VanDerWaalsContact C-N 3.27Å; D95-S97 PolarHBondContact O-N 2.91Å; D95-S97 VanDerWaalsContact OD1-CB 3.28Å; D95-S97 WeakPolarHBondContact OD1-CB 3.29Å; D95-S97 PolarHBondContact OD1-N 2.73Å; D95-S97 PolarHBondContact OD1-OG 3.43Å; D95-S97 PolarHBondContact OD2-OG 2.86Å; D95-S97 VanDerWaalsContact OD2-OG 3.1Å
98R89.4Confident93.1Very high74 Ų7473.3 Ų73.328%0.27942%0.415SS..THydrogen-bonded Turntrans-121.9-16.5-179.5-65.1-179.7-63.1100.98.2113.6R113 D119R98-R113 PolarHBondContact O-N 3.41Å; R98-R113 VanDerWaalsContact O-N 3.13Å; R98-D119 IonicContact CZ-OD1 3.68Å; R98-D119 IonicContact CZ-OD2 3.7Å; R98-D119 VanDerWaalsContact NH1-CG 3.33Å; R98-D119 IonicContact NH1-OD1 2.72Å; R98-D119 PolarHBondContact NH1-OD1 3.01Å; R98-D119 VanDerWaalsContact NH1-OD1 3.13Å; R98-D119 IonicContact NH1-OD2 2.94Å; R98-D119 PolarHBondContact NH1-OD2 3.32Å; R98-D119 IonicContact NH2-OD1 2.68Å; R98-D119 PolarHBondContact NH2-OD1 2.9Å; R98-D119 IonicContact NH2-OD2 3.18Å
99V93.9Very high93.1Very high9 Ų973.5 Ų73.56%0.05542%0.415CS..EExtended strand (participates in β ladder)trans-98.9129.4177.7-169.70000109.2L94 D95 T96 L110 F111 I112L94-V99 HydrophobicContact CD1-CG1 3.98Å; D95-V99 WeakPolarHBondContact O-CB 3.5Å; D95-V99 WeakPolarHBondContact O-CG2 3.35Å; D95-V99 PolarHBondContact O-N 3.38Å; T96-V99 WeakPolarHBondContact CA-O 3.32Å; V99-L110 HydrophobicContact CG1-CD1 4.21Å; V99-L110 HydrophobicContact CG1-CD2 4.2Å; V99-L110 HydrophobicContact CG1-CG 3.99Å; V99-F111 CarbonylContact C-O 3.6Å; V99-F111 WeakPolarHBondContact CA-O 3.22Å; V99-I112 HydrophobicContact CG1-CG1 4.23Å; V99-I112 HydrophobicContact CG2-CG1 4.15Å; V99-I112 HydrophobicContact CG2-CG2 4.33Å
100S94.9Very high93.1Very high54 Ų5471.7 Ų71.738%0.37841%0.406SS..EExtended strand (participates in β ladder)trans-124.3141.6173.962.50000109.9F111S100-F111 PolarHBondContact N-O 2.81Å; S100-F111 PolarHBondContact O-N 3.16Å
101V96.8Very high93.1Very high54 Ų5469.8 Ų69.833%0.32739%0.394SS..EExtended strand (participates in β ladder)trans-119.3133.9177.8174.10000108.8W87 L94 N103 I109 L110W87-V101 HydrophobicContact CB-CG2 4.35Å; W87-V101 HydrophobicContact CG-CG2 4.21Å; L94-V101 HydrophobicContact CD1-CG2 3.46Å; L94-V101 VanDerWaalsContact CD1-CG2 3.46Å; V101-N103 WeakPolarHBondContact CG1-OD1 3.34Å; V101-I109 CarbonylContact C-O 3.41Å; V101-I109 VanDerWaalsContact CA-O 3.3Å; V101-I109 WeakPolarHBondContact CA-O 3.18Å; V101-L110 HydrophobicContact CG2-CD1 4.4Å; V101-L110 HydrophobicContact CG2-CG 4.42Å
102R95.9Very high93.3Very high149 Ų14966.7 Ų66.756%0.56236%0.361SS*.EExtended strand (participates in β ladder)trans-121.5119.2171.9-68.2-177.1-72.4-150.1-3.8109.1S108 I109R102-S108 WeakPolarHBondContact O-CA 3.33Å; R102-I109 HydrophobicContact CB-CB 4.34Å; R102-I109 PolarHBondContact N-O 2.91Å; R102-I109 PolarHBondContact O-N 2.88Å
103N95.8Very high93.3Very high74 Ų7469.9 Ų69.940%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-103.4111.9179.6-69.5-29.5000109.9A85 V101 S108A85-N103 WeakPolarHBondContact CB-OD1 3.1Å; A85-N103 PolarHBondContact O-ND2 2.94Å; V101-N103 WeakPolarHBondContact CG1-OD1 3.34Å; N103-S108 WeakPolarHBondContact OD1-CB 3.36Å; N103-S108 PolarHBondContact OD1-OG 2.9Å
104G92.4Very high93.4Very high23 Ų2370.2 Ų70.224%0.23735%0.347CS..  trans-83.3-165.3170.600000112.2K82 D107K82-G104 WeakPolarHBondContact CE-O 3.28Å; G104-D107 WeakPolarHBondContact CA-O 3.36Å; G104-D107 WeakPolarHBondContact CA-OD1 3.29Å; G104-D107 PolarHBondContact N-O 3.01Å
105E90.3Very high93.5Very high142 Ų14268.8 Ų68.866%0.66434%0.34SS*.SBendtrans-82-28.1175.1-66.4-173.7170.600113F77F77-E105 WeakPolarHBondContact CE2-O 2.99Å
106R92.6Very high93.9Very high168 Ų16868.3 Ų68.363%0.63434%0.335SS*.SBendtrans-13410.3-175.6-60.8-172.9-175174.53.2112.9P76 F77P76-R106 CarbonylContact C-O 3.58Å; P76-R106 WeakPolarHBondContact CA-O 3.18Å; F77-R106 PolarHBondContact N-O 3.48Å; F77-R106 CarbonylContact O-C 3.59Å; F77-R106 WeakPolarHBondContact O-CA 3.39Å
107D96.1Very high94.3Very high56 Ų5666.6 Ų66.630%0.29931%0.314SS..EExtended strand (participates in β ladder)trans-152.4159.2-179.657.129.7000111.6L74 I75 F77 G104L74-D107 HydrophobicContact CD1-CB 3.9Å; I75-D107 CarbonylContact O-C 3.5Å; I75-D107 VanDerWaalsContact O-CA 3.32Å; I75-D107 WeakPolarHBondContact O-CA 3.25Å; F77-D107 WeakPolarHBondContact CE1-O 3.44Å; F77-D107 WeakPolarHBondContact CZ-O 3.46Å; G104-D107 WeakPolarHBondContact CA-O 3.36Å; G104-D107 WeakPolarHBondContact CA-OD1 3.29Å; G104-D107 PolarHBondContact N-O 3.01Å
108S97.4Very high94.7Very high0 Ų066.1 Ų66.10%032%0.315CS..EExtended strand (participates in β ladder)trans-130.6133.4166.9-172.90000108.9I75 W87 R102 N103I75-S108 PolarHBondContact N-O 3.38Å; I75-S108 PolarHBondContact O-N 2.83Å; W87-S108 PolarHBondContact NE1-OG 2.95Å; R102-S108 WeakPolarHBondContact O-CA 3.33Å; N103-S108 WeakPolarHBondContact OD1-CB 3.36Å; N103-S108 PolarHBondContact OD1-OG 2.9Å
109I97.2Very high94.9Very high35 Ų3562.9 Ų62.918%0.17930%0.304CS..EExtended strand (participates in β ladder)trans-111.9117.8179.2-59.2171.8000108.6N72 L73 L74 V101 R102N72-I109 WeakPolarHBondContact OD1-CG2 3.19Å; L73-I109 CarbonylContact O-C 3.58Å; L73-I109 VanDerWaalsContact O-CA 3.23Å; L73-I109 WeakPolarHBondContact O-CA 3.48Å; L74-I109 HydrophobicContact CB-CG1 4.49Å; L74-I109 HydrophobicContact CD1-CD1 3.82Å; L74-I109 HydrophobicContact CD1-CG1 3.43Å; L74-I109 VanDerWaalsContact CD1-CG1 3.43Å; V101-I109 CarbonylContact C-O 3.41Å; V101-I109 VanDerWaalsContact CA-O 3.3Å; V101-I109 WeakPolarHBondContact CA-O 3.18Å; R102-I109 HydrophobicContact CB-CB 4.34Å; R102-I109 PolarHBondContact N-O 2.91Å; R102-I109 PolarHBondContact O-N 2.88Å
110L97.3Very high95.1Very high0 Ų063.5 Ų63.50%031%0.309CS..EExtended strand (participates in β ladder)trans-99.2126166.7-176.8148.1000109.3N72 L73 W87 L94 V99 V101 I112 Y123N72-L110 WeakPolarHBondContact CA-O 3.32Å; L73-L110 HydrophobicContact CB-CB 4.31Å; L73-L110 HydrophobicContact CD1-CD2 4.26Å; L73-L110 HydrophobicContact CG-CD2 4.48Å; L73-L110 PolarHBondContact N-O 2.81Å; L73-L110 PolarHBondContact O-N 2.81Å; W87-L110 HydrophobicContact CB-CD1 4.3Å; W87-L110 HydrophobicContact CD2-CB 4.19Å; W87-L110 HydrophobicContact CD2-CD1 3.64Å; W87-L110 HydrophobicContact CE3-CB 4.45Å; W87-L110 HydrophobicContact CE3-CD1 3.53Å; W87-L110 HydrophobicContact CG-CD1 4.02Å; W87-L110 HydrophobicContact CH2-CB 4.16Å; W87-L110 HydrophobicContact CZ2-CB 3.89Å; W87-L110 HydrophobicContact CZ3-CB 4.43Å; W87-L110 HydrophobicContact CZ3-CD1 4.02Å; L94-L110 HydrophobicContact CD1-CD1 3.84Å; L94-L110 HydrophobicContact CD2-CD1 4.34Å; V99-L110 HydrophobicContact CG1-CD1 4.21Å; V99-L110 HydrophobicContact CG1-CD2 4.2Å; V99-L110 HydrophobicContact CG1-CG 3.99Å; V101-L110 HydrophobicContact CG2-CD1 4.4Å; V101-L110 HydrophobicContact CG2-CG 4.42Å; L110-I112 HydrophobicContact CD2-CD1 3.96Å; L110-I112 HydrophobicContact CD2-CG1 3.62Å; L110-Y123 HydrophobicContact CD1-CD1 3.65Å; L110-Y123 HydrophobicContact CD1-CE1 4.05Å; L110-Y123 HydrophobicContact CD2-CD1 4.44Å; L110-Y123 HydrophobicContact CD2-CE1 4.38Å
111F96.9Very high95.1Very high58 Ų5861.9 Ų61.925%0.25430%0.3SS..EExtended strand (participates in β ladder)trans-125.6122.8-177.3-179.5-89.2000110.7T70 V71 N72 V99 S100 R113T70-F111 HydrophobicContact CG2-CD2 4.02Å; T70-F111 HydrophobicContact CG2-CE1 4.28Å; T70-F111 HydrophobicContact CG2-CE2 3.18Å; T70-F111 HydrophobicContact CG2-CZ 3.34Å; V71-F111 CarbonylContact O-C 3.55Å; V71-F111 VanDerWaalsContact O-CA 3.29Å; V71-F111 WeakPolarHBondContact O-CA 3.37Å; N72-F111 HydrophobicContact CB-CD2 4.21Å; V99-F111 CarbonylContact C-O 3.6Å; V99-F111 WeakPolarHBondContact CA-O 3.22Å; S100-F111 PolarHBondContact N-O 2.81Å; S100-F111 PolarHBondContact O-N 3.16Å; F111-R113 HydrophobicContact CE1-CB 4.03Å
112I96.4Very high95.2Very high0 Ų065.8 Ų65.80%031%0.309CS..EExtended strand (participates in β ladder)trans-112.7119175-46.3179.4000107.9V71 V99 L110 D119 Y123 I140V71-I112 HydrophobicContact CB-CB 3.82Å; V71-I112 HydrophobicContact CB-CD1 4.09Å; V71-I112 HydrophobicContact CB-CG1 3.94Å; V71-I112 HydrophobicContact CG1-CD1 4.28Å; V71-I112 HydrophobicContact CG1-CG1 4.39Å; V71-I112 HydrophobicContact CG2-CB 4.09Å; V71-I112 HydrophobicContact CG2-CD1 4.16Å; V71-I112 HydrophobicContact CG2-CG1 4.39Å; V71-I112 PolarHBondContact N-O 2.94Å; V71-I112 PolarHBondContact O-N 2.93Å; V99-I112 HydrophobicContact CG1-CG1 4.23Å; V99-I112 HydrophobicContact CG2-CG1 4.15Å; V99-I112 HydrophobicContact CG2-CG2 4.33Å; L110-I112 HydrophobicContact CD2-CD1 3.96Å; L110-I112 HydrophobicContact CD2-CG1 3.62Å; I112-D119 HydrophobicContact CD1-CB 4.23Å; I112-D119 WeakPolarHBondContact CG2-OD2 3.44Å; I112-Y123 HydrophobicContact CD1-CE1 4.25Å; I112-Y123 WeakPolarHBondContact CD1-OH 3.25Å; I112-I140 HydrophobicContact CD1-CD1 4.43Å
113R93.3Very high95.2Very high154 Ų15458.8 Ų58.858%0.58128%0.282SS*.SBendtrans-82.6132.4173.1-177.2176.7171.6172.4-0.9109.7R98 F111R98-R113 PolarHBondContact O-N 3.41Å; R98-R113 VanDerWaalsContact O-N 3.13Å; F111-R113 HydrophobicContact CE1-CB 4.03Å
114E94Very high95.3Very high97 Ų9758.6 Ų58.645%0.45328%0.279SS..SBendtrans49.768173-67.4167.9-136.700111.9Q116E114-Q116 PolarHBondContact O-N 2.8Å; E114-Q116 PolarHBondContact O-NE2 2.79Å
115A94.9Very high95.6Very high0 Ų057.5 Ų57.50%027%0.268CS..  trans-52.6136.1-173.100000112.2V67 G68 D69 V71 D119 V142V67-A115 CarbonylContact C-O 3.54Å; V67-A115 VanDerWaalsContact CA-O 3.31Å; V67-A115 WeakPolarHBondContact CA-O 3.13Å; G68-A115 PolarHBondContact N-O 2.91Å; D69-A115 WeakPolarHBondContact O-CB 3.49Å; D69-A115 PolarHBondContact O-N 3.15Å; V71-A115 HydrophobicContact CG2-CB 4.07Å; A115-D119 WeakPolarHBondContact CA-OD2 3.31Å; A115-V142 HydrophobicContact CB-CG1 4.1Å; A115-V142 HydrophobicContact CB-CG2 4.13Å
116Q95.1Very high95.9Very high78 Ų7855.4 Ų55.436%0.36425%0.254SS..  trans-115.3161.2178.7-60.8-57.7-44.700109.9E114 A118 D119 V142E114-Q116 PolarHBondContact O-N 2.8Å; E114-Q116 PolarHBondContact O-NE2 2.79Å; Q116-A118 PolarHBondContact O-N 2.92Å; Q116-A118 VanDerWaalsContact O-N 3.16Å; Q116-D119 PolarHBondContact N-OD2 3.06Å; Q116-D119 WeakPolarHBondContact O-CB 3.26Å; Q116-D119 PolarHBondContact O-N 2.91Å; Q116-V142 WeakPolarHBondContact O-CB 3.48Å
117R94.1Very high96.2Very high86 Ų8647.4 Ų47.433%0.32522%0.224SC..G310 helixtrans-56.1-34177.7-76.3-172.4-93.5163.5-15113.2V67 D119 S120 E144 D171V67-R117 HydrophobicContact CG2-CG 3.82Å; R117-D119 PolarHBondContact O-N 2.87Å; R117-S120 VanDerWaalsContact O-CB 3.28Å; R117-S120 WeakPolarHBondContact O-CB 3.35Å; R117-S120 PolarHBondContact O-N 2.86Å; R117-S120 VanDerWaalsContact O-N 3.15Å; R117-S120 PolarHBondContact O-OG 2.6Å; R117-E144 IonicContact CZ-OE2 3.08Å; R117-E144 VanDerWaalsContact CZ-OE2 3.23Å; R117-E144 IonicContact NE-OE2 3Å; R117-E144 PolarHBondContact NE-OE2 3.36Å; R117-E144 IonicContact NH2-OE2 3.96Å; R117-E144 PolarHBondContact NH2-OE2 3.31Å; R117-D171 IonicContact CZ-OD1 2.57Å; R117-D171 IonicContact CZ-OD2 3.77Å; R117-D171 IonicContact NH1-OD1 3.04Å; R117-D171 PolarHBondContact NH1-OD1 3.2Å; R117-D171 VanDerWaalsContact NH1-OD1 3.08Å; R117-D171 IonicContact NH1-OD2 2.73Å; R117-D171 PolarHBondContact NH1-OD2 2.79Å; R117-D171 IonicContact NH2-OD2 3.13Å; R117-D171 PolarHBondContact NH2-OD2 2.86Å
118A93.1Very high96.1Very high77 Ų7747.4 Ų47.464%0.63622%0.222SC*.G310 helixtrans-65.9-18.417600000114.1Q116 S120Q116-A118 PolarHBondContact O-N 2.92Å; Q116-A118 VanDerWaalsContact O-N 3.16Å; A118-S120 PolarHBondContact O-N 2.9Å
119D95.1Very high95.9Very high7 Ų748.5 Ų48.54%0.03723%0.228CC..G310 helixtrans-79.8-4.2175.4-55.9-34.4000112.2R98 I112 A115 Q116 R117 Y123 V142R98-D119 IonicContact CZ-OD1 3.68Å; R98-D119 IonicContact CZ-OD2 3.7Å; R98-D119 VanDerWaalsContact NH1-CG 3.33Å; R98-D119 IonicContact NH1-OD1 2.72Å; R98-D119 PolarHBondContact NH1-OD1 3.01Å; R98-D119 VanDerWaalsContact NH1-OD1 3.13Å; R98-D119 IonicContact NH1-OD2 2.94Å; R98-D119 PolarHBondContact NH1-OD2 3.32Å; R98-D119 IonicContact NH2-OD1 2.68Å; R98-D119 PolarHBondContact NH2-OD1 2.9Å; R98-D119 IonicContact NH2-OD2 3.18Å; I112-D119 HydrophobicContact CD1-CB 4.23Å; I112-D119 WeakPolarHBondContact CG2-OD2 3.44Å; A115-D119 WeakPolarHBondContact CA-OD2 3.31Å; Q116-D119 PolarHBondContact N-OD2 3.06Å; Q116-D119 WeakPolarHBondContact O-CB 3.26Å; Q116-D119 PolarHBondContact O-N 2.91Å; R117-D119 PolarHBondContact O-N 2.87Å; D119-Y123 WeakPolarHBondContact O-CE2 3.38Å; D119-Y123 PolarHBondContact O-OH 3.27Å; D119-V142 HydrophobicContact CB-CG2 4.25Å
120S96.8Very high95.5Very high22 Ų2250.8 Ų50.815%0.15426%0.26CS..  trans-68.1146.5171.9-50.40000110H89 R117 A118 I140 V142H89-S120 PolarHBondContact NE2-O 3.1Å; R117-S120 VanDerWaalsContact O-CB 3.28Å; R117-S120 WeakPolarHBondContact O-CB 3.35Å; R117-S120 PolarHBondContact O-N 2.86Å; R117-S120 VanDerWaalsContact O-N 3.15Å; R117-S120 PolarHBondContact O-OG 2.6Å; A118-S120 PolarHBondContact O-N 2.9Å; S120-I140 CarbonylContact C-O 3.56Å; S120-I140 WeakPolarHBondContact CA-O 3.33Å; S120-V142 PolarHBondContact OG-N 2.94Å; S120-V142 PolarHBondContact OG-O 2.68Å
121G96.2Very high95.1Very high19 Ų1955 Ų5520%0.19630%0.304CS..EExtended strand (participates in β ladder)trans142.3-170.4178.900000112.1I140G121-I140 PolarHBondContact N-O 2.89Å; G121-I140 PolarHBondContact O-N 2.82Å
122R97.6Very high94.9Very high137 Ų13756 Ų5652%0.51731%0.312SS..EExtended strand (participates in β ladder)trans-95113-178.5-177.2170.7-67.4162.21.9110.2D90 D139D90-R122 PolarHBondContact N-O 3.44Å; D90-R122 PolarHBondContact OD1-N 3.43Å; R122-D139 WeakPolarHBondContact CB-OD1 3.33Å; R122-D139 WeakPolarHBondContact CG-OD1 3.29Å; R122-D139 IonicContact CZ-OD1 3.8Å; R122-D139 IonicContact NE-OD1 2.78Å; R122-D139 PolarHBondContact NE-OD1 2.9Å; R122-D139 IonicContact NH2-OD1 3.56Å
123Y97.6Very high94.8Very high1 Ų160.9 Ų60.90%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-90.5135.8170.2-69.1-103.1000109.2T88 H89 L94 L110 I112 D119 T137 I138 I140T88-Y123 CarbonylContact O-C 3.51Å; T88-Y123 VanDerWaalsContact O-CA 3.3Å; T88-Y123 WeakPolarHBondContact O-CA 3.19Å; H89-Y123 HydrophobicContact CB-CD1 4.14Å; H89-Y123 HydrophobicContact CB-CE1 3.91Å; H89-Y123 AromaticContact CD2-CE2 3.56Å; H89-Y123 AromaticContact CD2-CZ 3.66Å; H89-Y123 AromaticContact CG-CZ 3.85Å; L94-Y123 HydrophobicContact CD2-CD1 3.99Å; L94-Y123 HydrophobicContact CD2-CE1 3.91Å; L110-Y123 HydrophobicContact CD1-CD1 3.65Å; L110-Y123 HydrophobicContact CD1-CE1 4.05Å; L110-Y123 HydrophobicContact CD2-CD1 4.44Å; L110-Y123 HydrophobicContact CD2-CE1 4.38Å; I112-Y123 HydrophobicContact CD1-CE1 4.25Å; I112-Y123 WeakPolarHBondContact CD1-OH 3.25Å; D119-Y123 WeakPolarHBondContact O-CE2 3.38Å; D119-Y123 PolarHBondContact O-OH 3.27Å; Y123-T137 CarbonylContact O-C 3.57Å; Y123-T137 WeakPolarHBondContact O-CA 3.36Å; Y123-I138 PolarHBondContact N-O 3.42Å; Y123-I138 PolarHBondContact O-N 3.11Å; Y123-I140 HydrophobicContact CD2-CB 4.08Å; Y123-I140 HydrophobicContact CD2-CD1 3.38Å; Y123-I140 HydrophobicContact CD2-CG1 3.61Å; Y123-I140 HydrophobicContact CE2-CB 3.98Å; Y123-I140 HydrophobicContact CE2-CD1 3.48Å; Y123-I140 VanDerWaalsContact CE2-CD1 3.48Å; Y123-I140 HydrophobicContact CE2-CG1 3.9Å; Y123-I140 HydrophobicContact CG-CD1 3.96Å; Y123-I140 HydrophobicContact CG-CG1 4.47Å
124Q97.8Very high95Very high70 Ų7054.4 Ų54.433%0.32731%0.314SS..EExtended strand (participates in β ladder)trans-125.9126.1177.5-177.3177.879.300109.7W87 T88 T135 A136 T137W87-Q124 CarbonylContact C-O 3.54Å; W87-Q124 VanDerWaalsContact CA-O 3.29Å; W87-Q124 WeakPolarHBondContact CA-O 3.45Å; T88-Q124 PolarHBondContact N-O 3.24Å; T88-Q124 PolarHBondContact O-N 2.91Å; Q124-T135 VanDerWaalsContact CD-CG2 3.43Å; Q124-T135 HydrophobicContact CG-CG2 3.37Å; Q124-A136 CarbonylContact C-O 3.58Å; Q124-A136 WeakPolarHBondContact CA-O 3.4Å; Q124-T137 HydrophobicContact CB-CG2 4.4Å; Q124-T137 HydrophobicContact CG-CG2 4.14Å
125L97.9Very high95.2Very high0 Ų053 Ų530%031%0.312CS..EExtended strand (participates in β ladder)trans-98.3120169.2174.257.8000108.6I53 I75 A85 W87 V127 T135 A136I53-L125 HydrophobicContact CD1-CD2 4.47Å; I53-L125 HydrophobicContact CD1-CG 4.3Å; I75-L125 HydrophobicContact CB-CD2 3.68Å; I75-L125 HydrophobicContact CG1-CD2 4.19Å; I75-L125 HydrophobicContact CG2-CD2 3.56Å; A85-L125 HydrophobicContact CB-CD1 3.99Å; W87-L125 HydrophobicContact CD2-CB 4.05Å; W87-L125 HydrophobicContact CD2-CD1 4.13Å; W87-L125 HydrophobicContact CE3-CB 4.05Å; W87-L125 HydrophobicContact CG-CD1 4.23Å; W87-L125 HydrophobicContact CH2-CB 3.98Å; W87-L125 HydrophobicContact CH2-CD2 4.5Å; W87-L125 HydrophobicContact CZ2-CB 3.95Å; W87-L125 HydrophobicContact CZ2-CD1 4.26Å; W87-L125 HydrophobicContact CZ2-CD2 3.93Å; W87-L125 HydrophobicContact CZ2-CG 4.26Å; W87-L125 HydrophobicContact CZ3-CB 4.01Å; L125-V127 HydrophobicContact CD1-CG2 4.27Å; L125-V127 HydrophobicContact CD2-CG2 4.33Å; L125-V127 HydrophobicContact CG-CG2 4.11Å; L125-T135 CarbonylContact O-C 3.55Å; L125-T135 VanDerWaalsContact O-CA 3.32Å; L125-T135 WeakPolarHBondContact O-CA 3.3Å; L125-A136 PolarHBondContact N-O 3.49Å; L125-A136 PolarHBondContact O-N 2.76Å
126R97.4Very high95.3Very high99 Ų9953.5 Ų53.537%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-109122.9171.5-166.2-177.8-168.9171.85108.9A85 I86 Q128 E133A85-R126 WeakPolarHBondContact CA-O 3.21Å; I86-R126 PolarHBondContact N-O 2.82Å; I86-R126 PolarHBondContact O-N 3.39Å; R126-Q128 HydrophobicContact CG-CG 4.09Å; R126-E133 IonicContact CZ-OE2 3.74Å; R126-E133 IonicContact NE-OE2 3.36Å; R126-E133 PolarHBondContact NE-OE2 2.92Å; R126-E133 IonicContact NH2-OE1 3.88Å; R126-E133 PolarHBondContact NH2-OE1 2.87Å; R126-E133 IonicContact NH2-OE2 2.96Å; R126-E133 PolarHBondContact NH2-OE2 3.15Å
127V97.4Very high95.4Very high0 Ų053 Ų530%032%0.318CS..EExtended strand (participates in β ladder)trans-108.5111.2175.5177.70000107.8P51 I53 F77 P83 Q84 A85 L125 E133 A134P51-V127 HydrophobicContact CB-CG1 4.18Å; I53-V127 HydrophobicContact CD1-CB 4.13Å; I53-V127 HydrophobicContact CD1-CG2 3.7Å; I53-V127 HydrophobicContact CG1-CB 4.23Å; I53-V127 HydrophobicContact CG1-CG2 3.8Å; F77-V127 HydrophobicContact CB-CG1 4.46Å; F77-V127 HydrophobicContact CB-CG2 4.05Å; F77-V127 HydrophobicContact CD1-CG2 3.9Å; F77-V127 HydrophobicContact CD2-CG1 4.18Å; F77-V127 HydrophobicContact CG-CG1 4.23Å; F77-V127 HydrophobicContact CG-CG2 3.97Å; P83-V127 HydrophobicContact CB-CG1 3.6Å; P83-V127 HydrophobicContact CG-CG1 3.84Å; Q84-V127 CarbonylContact O-C 3.58Å; Q84-V127 WeakPolarHBondContact O-CA 3.03Å; A85-V127 HydrophobicContact CB-CG2 4.4Å; L125-V127 HydrophobicContact CD1-CG2 4.27Å; L125-V127 HydrophobicContact CD2-CG2 4.33Å; L125-V127 HydrophobicContact CG-CG2 4.11Å; V127-E133 WeakPolarHBondContact O-CA 3.32Å; V127-A134 PolarHBondContact N-O 2.81Å; V127-A134 PolarHBondContact O-N 3.28Å
128Q95.1Very high95.6Very high56 Ų5648.9 Ų48.926%0.26230%0.302SS..EExtended strand (participates in β ladder)trans-104.1134.8-178-65.9-177.4-30.200110.7P83 Q84 R126 E133P83-Q128 CarbonylContact C-O 3.31Å; P83-Q128 WeakPolarHBondContact CA-O 3.35Å; P83-Q128 WeakPolarHBondContact CB-O 3.39Å; Q84-Q128 PolarHBondContact N-O 3.13Å; Q84-Q128 PolarHBondContact O-N 2.71Å; R126-Q128 HydrophobicContact CG-CG 4.09Å; Q128-E133 HydrophobicContact CG-CB 4.44Å
129L93.3Very high95.8Very high22 Ų2248 Ų4812%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-140.498.4177.2-177.360.1000109.9E49 P51 P81 P83 G131 L132E49-L129 WeakPolarHBondContact O-CD2 3.28Å; P51-L129 HydrophobicContact CB-CB 4.24Å; P51-L129 HydrophobicContact CG-CB 4.17Å; P81-L129 HydrophobicContact CG-CD1 4.09Å; P81-L129 WeakPolarHBondContact O-CD1 3.49Å; P83-L129 HydrophobicContact CB-CB 4.14Å; P83-L129 HydrophobicContact CB-CD1 4.25Å; L129-G131 PolarHBondContact O-N 3.06Å; L129-L132 PolarHBondContact N-O 3.13Å; L129-L132 WeakPolarHBondContact O-CB 3.23Å; L129-L132 PolarHBondContact O-N 2.79Å
130G88.6Confident95.9Very high83 Ų8347.9 Ų47.986%0.85629%0.286SS*.THydrogen-bonded Turntrans60.5-122.8-173.100000111
131G88.3Confident95.9Very high90 Ų9049.2 Ų49.293%0.92829%0.292SS*.THydrogen-bonded Turntrans-86.90.717500000114.9L129L129-G131 PolarHBondContact O-N 3.06Å
132L92.8Very high96Very high79 Ų7948.3 Ų48.341%0.41428%0.282SS..EExtended strand (participates in β ladder)trans-102.8151.8-178.3-61.7172.4000111.3H50 P51 L129H50-L132 HydrophobicContact CB-CD1 4.43Å; H50-L132 VanDerWaalsContact ND1-CD1 3.25Å; H50-L132 WeakPolarHBondContact ND1-CD1 3.34Å; P51-L132 HydrophobicContact CG-CB 3.67Å; L129-L132 PolarHBondContact N-O 3.13Å; L129-L132 WeakPolarHBondContact O-CB 3.23Å; L129-L132 PolarHBondContact O-N 2.79Å
133E95.6Very high96Very high102 Ų10242.1 Ų42.148%0.47726%0.259SS..EExtended strand (participates in β ladder)trans-144.6150.8175.265.7-178.7-160.200113.1R126 V127 Q128R126-E133 IonicContact CZ-OE2 3.74Å; R126-E133 IonicContact NE-OE2 3.36Å; R126-E133 PolarHBondContact NE-OE2 2.92Å; R126-E133 IonicContact NH2-OE1 3.88Å; R126-E133 PolarHBondContact NH2-OE1 2.87Å; R126-E133 IonicContact NH2-OE2 2.96Å; R126-E133 PolarHBondContact NH2-OE2 3.15Å; V127-E133 WeakPolarHBondContact O-CA 3.32Å; Q128-E133 HydrophobicContact CG-CB 4.44Å
134A96.8Very high95.9Very high18 Ų1845.2 Ų45.215%0.14927%0.274CS..EExtended strand (participates in β ladder)trans-128144.4166.400000109.1P51 I53 V127P51-A134 HydrophobicContact CB-CB 4.06Å; I53-A134 HydrophobicContact CD1-CB 4.03Å; I53-A134 WeakPolarHBondContact CD1-O 3.38Å; I53-A134 HydrophobicContact CG1-CB 3.97Å; V127-A134 PolarHBondContact N-O 2.81Å; V127-A134 PolarHBondContact O-N 3.28Å
135T97.6Very high95.8Very high67 Ų6748.7 Ų48.741%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-131.6138.5-176.9-58.30000110.4Q124 L125Q124-T135 VanDerWaalsContact CD-CG2 3.43Å; Q124-T135 HydrophobicContact CG-CG2 3.37Å; L125-T135 CarbonylContact O-C 3.55Å; L125-T135 VanDerWaalsContact O-CA 3.32Å; L125-T135 WeakPolarHBondContact O-CA 3.3Å
136A97.3Very high95.8Very high11 Ų1149 Ų499%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-128.8141.1171.100000110I53 Q124 L125I53-A136 HydrophobicContact CB-CB 4.32Å; I53-A136 HydrophobicContact CD1-CB 4.01Å; I53-A136 HydrophobicContact CG2-CB 3.67Å; Q124-A136 CarbonylContact C-O 3.58Å; Q124-A136 WeakPolarHBondContact CA-O 3.4Å; L125-A136 PolarHBondContact N-O 3.49Å; L125-A136 PolarHBondContact O-N 2.76Å
137T97.6Very high95.7Very high66 Ų6645 Ų4541%0.40528%0.276SS..EExtended strand (participates in β ladder)trans-116.4135.5179.752.40000110.2Y123 Q124Y123-T137 CarbonylContact O-C 3.57Å; Y123-T137 WeakPolarHBondContact O-CA 3.36Å; Q124-T137 HydrophobicContact CB-CG2 4.4Å; Q124-T137 HydrophobicContact CG-CG2 4.14Å
138I98.1Very high95.7Very high0 Ų047.5 Ų47.50%029%0.292CS..EExtended strand (participates in β ladder)trans-128.5117.8177.2-57.699.3000107.7L55 L59 L73 I75 W87 Y123 I140L55-I138 HydrophobicContact CD1-CD1 3.93Å; L55-I138 HydrophobicContact CD1-CG1 3.63Å; L59-I138 HydrophobicContact CB-CG1 4.34Å; L59-I138 HydrophobicContact CB-CG2 4.4Å; L59-I138 HydrophobicContact CD2-CG2 4.41Å; L73-I138 HydrophobicContact CD1-CG2 4.17Å; I75-I138 HydrophobicContact CD1-CD1 4.41Å; W87-I138 HydrophobicContact CH2-CD1 3.84Å; W87-I138 HydrophobicContact CZ3-CD1 3.78Å; Y123-I138 PolarHBondContact N-O 3.42Å; Y123-I138 PolarHBondContact O-N 3.11Å; I138-I140 HydrophobicContact CG2-CG1 4.11Å
139D97.4Very high95.7Very high58 Ų5845 Ų4531%0.3128%0.281SS..EExtended strand (participates in β ladder)trans-87.7118.1172.7-61.4-46000108.6T62 Y63 R122T62-D139 CarbonylContact C-O 3.42Å; T62-D139 WeakPolarHBondContact CA-O 3.44Å; Y63-D139 PolarHBondContact N-O 3.12Å; R122-D139 WeakPolarHBondContact CB-OD1 3.33Å; R122-D139 WeakPolarHBondContact CG-OD1 3.29Å; R122-D139 IonicContact CZ-OD1 3.8Å; R122-D139 IonicContact NE-OD1 2.78Å; R122-D139 PolarHBondContact NE-OD1 2.9Å; R122-D139 IonicContact NH2-OD1 3.56Å
140I97Very high95.8Very high5 Ų547.8 Ų47.83%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-103.2135.2176.1-55.4-177000108.5Y63 V71 L73 I112 S120 G121 Y123 I138 V142Y63-I140 WeakPolarHBondContact O-CA 3.48Å; V71-I140 HydrophobicContact CG1-CD1 4.19Å; L73-I140 HydrophobicContact CD1-CD1 3.87Å; I112-I140 HydrophobicContact CD1-CD1 4.43Å; S120-I140 CarbonylContact C-O 3.56Å; S120-I140 WeakPolarHBondContact CA-O 3.33Å; G121-I140 PolarHBondContact N-O 2.89Å; G121-I140 PolarHBondContact O-N 2.82Å; Y123-I140 HydrophobicContact CD2-CB 4.08Å; Y123-I140 HydrophobicContact CD2-CD1 3.38Å; Y123-I140 HydrophobicContact CD2-CG1 3.61Å; Y123-I140 HydrophobicContact CE2-CB 3.98Å; Y123-I140 HydrophobicContact CE2-CD1 3.48Å; Y123-I140 VanDerWaalsContact CE2-CD1 3.48Å; Y123-I140 HydrophobicContact CE2-CG1 3.9Å; Y123-I140 HydrophobicContact CG-CD1 3.96Å; Y123-I140 HydrophobicContact CG-CG1 4.47Å; I138-I140 HydrophobicContact CG2-CG1 4.11Å; I140-V142 HydrophobicContact CG2-CG2 4.18Å
141L97.3Very high95.9Very high51 Ų5147.4 Ų47.427%0.26728%0.278SS..EExtended strand (participates in β ladder)trans-125.3113.5172.8-178.566.7000109.6T62 Y63 I64 R65 I143 N174T62-L141 HydrophobicContact CG2-CB 3.59Å; Y63-L141 PolarHBondContact O-N 3.39Å; I64-L141 CarbonylContact C-O 3.56Å; I64-L141 VanDerWaalsContact CA-O 3.29Å; I64-L141 WeakPolarHBondContact CA-O 3.26Å; I64-L141 HydrophobicContact CG1-CB 4.41Å; R65-L141 PolarHBondContact N-O 2.87Å; L141-I143 HydrophobicContact CD2-CG2 3.89Å; L141-I143 HydrophobicContact CG-CG2 3.77Å; L141-N174 HydrophobicContact CD1-CB 4.43Å
142V97.4Very high96.2Very high0 Ų043.8 Ų43.80%024%0.237CC..EExtended strand (participates in β ladder)trans-95.3116.2175-1720000108.9R65 V67 A115 Q116 D119 S120 I140 N174R65-V142 CarbonylContact O-C 3.41Å; R65-V142 VanDerWaalsContact O-CA 3.26Å; R65-V142 WeakPolarHBondContact O-CA 3.38Å; V67-V142 HydrophobicContact CG2-CG1 3.83Å; A115-V142 HydrophobicContact CB-CG1 4.1Å; A115-V142 HydrophobicContact CB-CG2 4.13Å; Q116-V142 WeakPolarHBondContact O-CB 3.48Å; D119-V142 HydrophobicContact CB-CG2 4.25Å; S120-V142 PolarHBondContact OG-N 2.94Å; S120-V142 PolarHBondContact OG-O 2.68Å; I140-V142 HydrophobicContact CG2-CG2 4.18Å; V142-N174 VanDerWaalsContact O-CB 3.27Å; V142-N174 WeakPolarHBondContact O-CB 3.41Å; V142-N174 PolarHBondContact O-ND2 3.08Å; V142-N174 VanDerWaalsContact O-ND2 3.12Å
143I97.5Very high96.2Very high6 Ų646 Ų463%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-110.3156.8-175.259.7170.1000111.7I64 R65 K66 V67 L141 G173 T175 Q224 C225I64-I143 HydrophobicContact CG2-CD1 3.46Å; I64-I143 VanDerWaalsContact CG2-CD1 3.46Å; I64-I143 HydrophobicContact CG2-CG1 3.79Å; I64-I143 HydrophobicContact CG2-CG2 4.25Å; R65-I143 WeakPolarHBondContact O-CG1 3.34Å; R65-I143 PolarHBondContact O-N 3.1Å; K66-I143 CarbonylContact C-O 3.56Å; K66-I143 VanDerWaalsContact CA-O 3.26Å; K66-I143 WeakPolarHBondContact CA-O 3.49Å; K66-I143 HydrophobicContact CG-CG1 4.33Å; V67-I143 PolarHBondContact N-O 3.26Å; L141-I143 HydrophobicContact CD2-CG2 3.89Å; L141-I143 HydrophobicContact CG-CG2 3.77Å; I143-G173 CarbonylContact C-O 3.54Å; I143-G173 WeakPolarHBondContact CA-O 3.38Å; I143-T175 HydrophobicContact CB-CG2 4.42Å; I143-T175 HydrophobicContact CG2-CG2 4.44Å; I143-Q224 HydrophobicContact CD1-CG 3.84Å; I143-Q224 VanDerWaalsContact CD1-NE2 3.29Å; I143-C225 WeakPolarHBondContact CD1-SG 3.15Å; I143-C225 WeakPolarHBondContact CG1-SG 3.34Å
144E96.3Very high96Very high67 Ų6742.6 Ų42.631%0.31323%0.228SC..  trans-137.4171.5179.6-163.5166.3-158.700110V67 R117 G173 N223 C225V67-E144 HydrophobicContact CB-CB 4.5Å; V67-E144 HydrophobicContact CB-CG 4.32Å; V67-E144 HydrophobicContact CG2-CB 3.84Å; V67-E144 HydrophobicContact CG2-CG 4.1Å; R117-E144 IonicContact CZ-OE2 3.08Å; R117-E144 VanDerWaalsContact CZ-OE2 3.23Å; R117-E144 IonicContact NE-OE2 3Å; R117-E144 PolarHBondContact NE-OE2 3.36Å; R117-E144 IonicContact NH2-OE2 3.96Å; R117-E144 PolarHBondContact NH2-OE2 3.31Å; E144-G173 PolarHBondContact N-O 2.75Å; E144-N223 PolarHBondContact O-ND2 2.78Å; E144-C225 VanDerWaalsContact C-SG 3.6Å; E144-C225 WeakPolarHBondContact O-CB 3.47Å; E144-C225 PolarHBondContact O-SG 2.95Å; E144-C225 VanDerWaalsContact O-SG 3.39Å
145R96Very high95.5Very high143 Ų14345.6 Ų45.654%0.5424%0.244SC..PPolyproline II helixtrans-63.4151.7165.5-74.1172.4175.9-176.75.9109.7C225 L227R145-C225 HydrophobicContact CG-CB 3.92Å; R145-L227 VanDerWaalsContact CD-O 3.23Å; R145-L227 WeakPolarHBondContact CD-O 3.42Å; R145-L227 WeakPolarHBondContact CG-O 3.48Å
146P97.3Very high94.8Very high5 Ų545.7 Ų45.73%0.03224%0.242CC..PPolyproline II helixtrans-72.7157.8178.932.1-29.8000110P169 L177 A221 N223 G226 S228P146-P169 HydrophobicContact CB-CG 4.49Å; P146-L177 HydrophobicContact CB-CD2 3.6Å; P146-L177 HydrophobicContact CG-CD2 4.11Å; P146-A221 HydrophobicContact CB-CB 4.03Å; P146-A221 HydrophobicContact CG-CB 3.79Å; P146-A221 WeakPolarHBondContact CG-O 3.15Å; P146-N223 VanDerWaalsContact CD-CG 3.48Å; P146-N223 WeakPolarHBondContact CD-ND2 3.37Å; P146-N223 HydrophobicContact CG-CB 4.36Å; P146-G226 WeakPolarHBondContact CD-O 3.49Å; P146-S228 WeakPolarHBondContact O-CA 3.39Å; P146-S228 WeakPolarHBondContact O-CB 3.49Å
147G96.3Very high94.2Very high17 Ų1747.5 Ų47.518%0.17525%0.252CS..PPolyproline II helixtrans-64.6167.9166.500000111.9P169 D171 S228G147-P169 VanDerWaalsContact O-CB 3.27Å; G147-P169 WeakPolarHBondContact O-CB 3.27Å; G147-D171 PolarHBondContact N-O 3.15Å; G147-S228 WeakPolarHBondContact O-CB 3.45Å
148P96.1Very high93.2Very high52 Ų5247.7 Ų47.734%0.33825%0.245SC..PPolyproline II helixtrans-63145.8174.225-32.7000111.2P169 T230P148-P169 WeakPolarHBondContact O-CB 3.23Å; P148-T230 WeakPolarHBondContact CB-OG1 3.38Å; P148-T230 WeakPolarHBondContact CG-OG1 3.34Å
149P96.3Very high92.3Very high4 Ų448.2 Ų48.23%0.02625%0.251CS..PPolyproline II helixtrans-50.5156.6162.3-23.632.7000111.5W166 Y180 V219 A221 P232P149-W166 HydrophobicContact CB-CG 4.49Å; P149-Y180 HydrophobicContact CG-CD1 4.07Å; P149-Y180 HydrophobicContact CG-CE1 4.18Å; P149-V219 WeakPolarHBondContact CD-O 3.28Å; P149-V219 HydrophobicContact CG-CB 4.28Å; P149-V219 HydrophobicContact CG-CG1 3.94Å; P149-A221 HydrophobicContact CG-CB 4.03Å; P149-P232 HydrophobicContact CB-CG 4.28Å; P149-P232 WeakPolarHBondContact O-CG 3.21Å
150Q94.6Very high91.7Very high80 Ų8050 Ų5037%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-109.6157.8-179-72.9-179.4-10.500110.7I152 T167Q150-I152 VanDerWaalsContact C-N 3.34Å; Q150-I152 PolarHBondContact O-N 2.85Å; Q150-I152 VanDerWaalsContact O-N 3.14Å; Q150-T167 VanDerWaalsContact C-OG1 3.24Å; Q150-T167 WeakPolarHBondContact CB-OG1 3.48Å; Q150-T167 PolarHBondContact N-O 2.72Å; Q150-T167 PolarHBondContact O-N 3.47Å; Q150-T167 PolarHBondContact O-OG1 3.13Å; Q150-T167 VanDerWaalsContact O-OG1 3.06Å
151S91.1Very high91.1Very high75 Ų7551.5 Ų51.552%0.52426%0.264SS..EExtended strand (participates in β ladder)trans48.146.6169.3-57.20000115.4K153S151-K153 PolarHBondContact O-N 3.4Å
152I94.7Very high90.6Very high13 Ų1349.1 Ų49.17%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-65.1122.8174.6-171.4-178.3000110.3Q150 E165 W166 V219 P232 T234Q150-I152 VanDerWaalsContact C-N 3.34Å; Q150-I152 PolarHBondContact O-N 2.85Å; Q150-I152 VanDerWaalsContact O-N 3.14Å; I152-E165 WeakPolarHBondContact CA-O 3.43Å; I152-W166 HydrophobicContact CB-CB 4.36Å; I152-V219 HydrophobicContact CD1-CB 4.22Å; I152-V219 HydrophobicContact CD1-CG2 3.53Å; I152-V219 HydrophobicContact CG1-CG2 4.28Å; I152-P232 HydrophobicContact CB-CG 4.35Å; I152-P232 HydrophobicContact CG2-CB 3.71Å; I152-P232 HydrophobicContact CG2-CG 4.03Å; I152-T234 HydrophobicContact CD1-CG2 3.72Å; I152-T234 HydrophobicContact CG1-CG2 3.84Å
153K91.9Very high90.1Very high127 Ų12750.2 Ų50.255%0.55226%0.259SS*.EExtended strand (participates in β ladder)trans-130.6141-176.2-68.5174.9-173.6179.80111.1S151 L164 E165S151-K153 PolarHBondContact O-N 3.4Å; K153-L164 WeakPolarHBondContact O-CA 3.4Å; K153-E165 PolarHBondContact N-O 2.8Å; K153-E165 PolarHBondContact O-N 3.43Å
154L91.6Very high89.9Confident30 Ų3050 Ų5016%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-84.5106.5165.1-177.766.3000107.8V157 A162 L164 F217 D236 A238L154-V157 HydrophobicContact CD1-CG2 3.8Å; L154-V157 HydrophobicContact CD2-CG2 3.71Å; L154-V157 HydrophobicContact CG-CG2 3.92Å; L154-A162 HydrophobicContact CD1-CB 3.83Å; L154-L164 HydrophobicContact CB-CD2 4.5Å; L154-L164 HydrophobicContact CD1-CD2 3.84Å; L154-F217 HydrophobicContact CD1-CE2 4.24Å; L154-D236 HydrophobicContact CB-CB 4.44Å; L154-D236 HydrophobicContact CD2-CB 4.27Å; L154-A238 HydrophobicContact CD1-CB 4.07Å; L154-A238 HydrophobicContact CD2-CB 3.85Å
155V86.7Confident89.8Confident81 Ų8151.8 Ų51.849%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-80.8-46.5-174178.40000110.9T163 E165V155-T163 HydrophobicContact CB-CG2 4.03Å; V155-T163 HydrophobicContact CG2-CG2 4.43Å; V155-T163 PolarHBondContact N-O 2.88Å; V155-E165 HydrophobicContact CG2-CB 3.6Å
156D82.5Confident89.8Confident69 Ų6945.1 Ų45.137%0.36924%0.24SC..EExtended strand (participates in β ladder)trans-157154.1-177.1-175.123.9000111W158 A162 T163D156-W158 HydrophobicContact CB-CE3 3.94Å; D156-W158 HydrophobicContact CB-CZ3 3.8Å; D156-W158 WeakPolarHBondContact OD2-CZ3 3.45Å; D156-A162 CarbonylContact O-C 3.59Å; D156-A162 WeakPolarHBondContact O-CA 3.3Å; D156-T163 PolarHBondContact O-N 3.11Å
157V85.4Confident89.7Confident48 Ų4847.5 Ų47.529%0.29126%0.255SS..EExtended strand (participates in β ladder)trans-135.3118.2-179.8179.20000108.6L154 A162 A238 I240L154-V157 HydrophobicContact CD1-CG2 3.8Å; L154-V157 HydrophobicContact CD2-CG2 3.71Å; L154-V157 HydrophobicContact CG-CG2 3.92Å; V157-A162 HydrophobicContact CG2-CB 4.33Å; V157-A238 HydrophobicContact CG2-CB 3.81Å; V157-I240 HydrophobicContact CG1-CD1 3.54Å
158W75.3Confident89.7Confident70 Ų7049.7 Ų49.727%0.26527%0.266SS..EExtended strand (participates in β ladder)trans-144.3135.6-179.169.193.5000112D156 F160 N161 T163 I205D156-W158 HydrophobicContact CB-CE3 3.94Å; D156-W158 HydrophobicContact CB-CZ3 3.8Å; D156-W158 WeakPolarHBondContact OD2-CZ3 3.45Å; W158-F160 PolarHBondContact O-N 3.06Å; W158-N161 HydrophobicContact CD2-CB 4.32Å; W158-N161 HydrophobicContact CZ2-CB 4.32Å; W158-N161 PolarHBondContact N-O 3.4Å; W158-N161 PolarHBondContact NE1-ND2 2.91Å; W158-N161 PolarHBondContact O-N 3.46Å; W158-T163 WeakPolarHBondContact CH2-OG1 3.48Å; W158-T163 WeakPolarHBondContact CZ3-OG1 3.43Å; W158-I205 HydrophobicContact CH2-CD1 4.24Å; W158-I205 HydrophobicContact CH2-CG1 4.33Å; W158-I205 HydrophobicContact CH2-CG2 4.45Å; W158-I205 HydrophobicContact CZ2-CD1 4.13Å; W158-I205 HydrophobicContact CZ2-CG2 4.13Å
159G80.1Confident89.8Confident12 Ų1247.7 Ų47.712%0.12425%0.253CS..THydrogen-bonded Turntrans58.4-108.7177.400000111.9I240G159-I240 VanDerWaalsContact O-CG2 3.26Å; G159-I240 WeakPolarHBondContact O-CG2 3.48Å
160F83.5Confident89.7Confident96 Ų9655.7 Ų55.742%0.42129%0.29SS..THydrogen-bonded Turntrans-114.817.9178.7-49.3-79000112.1W158 S207 D208 L209 I211 A243W158-F160 PolarHBondContact O-N 3.06Å; F160-S207 CarbonylContact O-C 3.57Å; F160-D208 PolarHBondContact O-N 3.4Å; F160-L209 WeakPolarHBondContact CD1-O 3.46Å; F160-L209 WeakPolarHBondContact O-CB 3.41Å; F160-L209 WeakPolarHBondContact O-CG 3.17Å; F160-L209 PolarHBondContact O-N 3.22Å; F160-I211 HydrophobicContact CD1-CD1 4.1Å; F160-I211 HydrophobicContact CD1-CG1 3.88Å; F160-I211 HydrophobicContact CE1-CD1 3.26Å; F160-I211 HydrophobicContact CE1-CG1 3.53Å; F160-I211 HydrophobicContact CZ-CD1 3.82Å; F160-A243 HydrophobicContact CZ-CB 4.13Å
161N84.8Confident89.7Confident36 Ų3654.5 Ų54.519%0.19329%0.287CS..EExtended strand (participates in β ladder)trans-126.3152.2-172.3-53.2-54.3000111.5W158 I205 V206 S207W158-N161 HydrophobicContact CD2-CB 4.32Å; W158-N161 HydrophobicContact CZ2-CB 4.32Å; W158-N161 PolarHBondContact N-O 3.4Å; W158-N161 PolarHBondContact NE1-ND2 2.91Å; W158-N161 PolarHBondContact O-N 3.46Å; N161-I205 HydrophobicContact CB-CG2 3.88Å; N161-V206 CarbonylContact C-O 3.56Å; N161-V206 WeakPolarHBondContact CA-O 3.4Å; N161-S207 VanDerWaalsContact OD1-CA 3.24Å; N161-S207 WeakPolarHBondContact OD1-CA 3.29Å; N161-S207 WeakPolarHBondContact OD1-CB 3.42Å; N161-S207 PolarHBondContact OD1-OG 2.8Å
162A87.3Confident89.9Confident0 Ų053.3 Ų53.30%028%0.276CS..EExtended strand (participates in β ladder)trans-131.4138.616900000109.2L154 D156 V157 I205 V206 L209 F217 A238L154-A162 HydrophobicContact CD1-CB 3.83Å; D156-A162 CarbonylContact O-C 3.59Å; D156-A162 WeakPolarHBondContact O-CA 3.3Å; V157-A162 HydrophobicContact CG2-CB 4.33Å; A162-I205 CarbonylContact O-C 3.56Å; A162-I205 WeakPolarHBondContact O-CA 3.46Å; A162-V206 PolarHBondContact N-O 3.23Å; A162-V206 PolarHBondContact O-N 2.77Å; A162-L209 HydrophobicContact CB-CD1 3.7Å; A162-F217 HydrophobicContact CB-CE2 3.98Å; A162-F217 HydrophobicContact CB-CZ 3.78Å; A162-A238 HydrophobicContact CB-CB 4.1Å
163T86.8Confident89.8Confident24 Ų2452.7 Ų52.715%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-99.6130172.2-67.80000110.7V155 D156 W158 C204V155-T163 HydrophobicContact CB-CG2 4.03Å; V155-T163 HydrophobicContact CG2-CG2 4.43Å; V155-T163 PolarHBondContact N-O 2.88Å; D156-T163 PolarHBondContact O-N 3.11Å; W158-T163 WeakPolarHBondContact CH2-OG1 3.48Å; W158-T163 WeakPolarHBondContact CZ3-OG1 3.43Å; T163-C204 WeakPolarHBondContact CA-O 3.33Å
164L93.4Very high90Very high0 Ų049.8 Ų49.80%026%0.263CS..EExtended strand (participates in β ladder)trans-114.9142.6176.7-58.8175.1000109.6K153 L154 W166 V182 S203 C204 V206 F217 T234K153-L164 WeakPolarHBondContact O-CA 3.4Å; L154-L164 HydrophobicContact CB-CD2 4.5Å; L154-L164 HydrophobicContact CD1-CD2 3.84Å; L164-W166 HydrophobicContact CB-CE3 4.28Å; L164-W166 HydrophobicContact CB-CZ3 4.03Å; L164-V182 HydrophobicContact CD1-CG1 4.03Å; L164-S203 CarbonylContact O-C 3.54Å; L164-S203 WeakPolarHBondContact O-CA 3.35Å; L164-S203 WeakPolarHBondContact O-CB 3.28Å; L164-C204 PolarHBondContact N-O 2.78Å; L164-C204 PolarHBondContact O-N 2.81Å; L164-V206 HydrophobicContact CD1-CG2 3.78Å; L164-V206 HydrophobicContact CG-CG2 4.44Å; L164-F217 HydrophobicContact CD1-CB 3.52Å; L164-F217 HydrophobicContact CD1-CD1 3.85Å; L164-F217 HydrophobicContact CD1-CD2 4.11Å; L164-F217 HydrophobicContact CD1-CG 3.56Å; L164-F217 HydrophobicContact CD2-CB 4.14Å; L164-F217 HydrophobicContact CD2-CD2 3.67Å; L164-F217 HydrophobicContact CD2-CE2 4.26Å; L164-F217 HydrophobicContact CD2-CG 3.99Å; L164-F217 HydrophobicContact CG-CB 4.48Å; L164-F217 HydrophobicContact CG-CD2 4.39Å; L164-F217 HydrophobicContact CG-CG 4.31Å; L164-T234 HydrophobicContact CD2-CG2 3.83Å
165E93.6Very high90.2Very high105 Ų10549.6 Ų49.649%0.49126%0.263SS..EExtended strand (participates in β ladder)trans-134.5144.4170.3-173.4175.1174.700109I152 K153 V155 T202I152-E165 WeakPolarHBondContact CA-O 3.43Å; K153-E165 PolarHBondContact N-O 2.8Å; K153-E165 PolarHBondContact O-N 3.43Å; V155-E165 HydrophobicContact CG2-CB 3.6Å; E165-T202 WeakPolarHBondContact CA-O 3.49Å
166W96.6Very high90.5Very high3 Ų349 Ų491%0.01127%0.268CS..EExtended strand (participates in β ladder)trans-146169.417758.694000110.1P149 I152 L164 Y180 V182 Y199 R201 T202 C204 V219P149-W166 HydrophobicContact CB-CG 4.49Å; I152-W166 HydrophobicContact CB-CB 4.36Å; L164-W166 HydrophobicContact CB-CE3 4.28Å; L164-W166 HydrophobicContact CB-CZ3 4.03Å; W166-Y180 HydrophobicContact CZ2-CD2 4.14Å; W166-Y180 HydrophobicContact CZ2-CG 4.03Å; W166-Y180 AromaticContact NE1-CD1 3.41Å; W166-Y180 AromaticContact NE1-CD2 3.68Å; W166-Y180 AromaticContact NE1-CE1 3.54Å; W166-Y180 AromaticContact NE1-CE2 3.83Å; W166-Y180 AromaticContact NE1-CG 3.5Å; W166-Y180 AromaticContact NE1-CZ 3.77Å; W166-V182 HydrophobicContact CH2-CG2 3.82Å; W166-V182 HydrophobicContact CZ2-CG2 4.36Å; W166-V182 HydrophobicContact CZ3-CG2 4.39Å; W166-Y199 HydrophobicContact CH2-CD1 4.18Å; W166-Y199 HydrophobicContact CH2-CE1 4.3Å; W166-Y199 HydrophobicContact CZ2-CD1 4.18Å; W166-R201 WeakPolarHBondContact CZ2-O 3.5Å; W166-T202 PolarHBondContact N-O 2.83Å; W166-T202 WeakPolarHBondContact O-CB 3.39Å; W166-C204 HydrophobicContact CH2-CB 4.03Å; W166-C204 HydrophobicContact CZ3-CB 4.27Å; W166-V219 HydrophobicContact CD2-CG1 4.09Å; W166-V219 HydrophobicContact CD2-CG2 4.22Å; W166-V219 HydrophobicContact CE3-CG2 4.03Å; W166-V219 HydrophobicContact CG-CG1 4.43Å; W166-V219 HydrophobicContact CZ2-CG1 4.09Å; W166-V219 HydrophobicContact CZ3-CG2 4.26Å
167T96.3Very high91.1Very high55 Ų5548.1 Ų48.134%0.33726%0.262SS..EExtended strand (participates in β ladder)trans-107.6148.1171.453.40000110.2Q150Q150-T167 VanDerWaalsContact C-OG1 3.24Å; Q150-T167 WeakPolarHBondContact CB-OG1 3.48Å; Q150-T167 PolarHBondContact N-O 2.72Å; Q150-T167 PolarHBondContact O-N 3.47Å; Q150-T167 PolarHBondContact O-OG1 3.13Å; Q150-T167 VanDerWaalsContact O-OG1 3.06Å
168P96.1Very high91.5Very high64 Ų6450.9 Ų50.942%0.41628%0.275SS..  trans-55154.4175.4-25.635.2000112.5Y180 T202P168-Y180 WeakPolarHBondContact CA-OH 3.24Å; P168-Y180 WeakPolarHBondContact CB-OH 3.46Å; P168-T202 HydrophobicContact CG-CG2 3.86Å
169P96.7Very high92.4Very high9 Ų947.7 Ų47.76%0.05826%0.264CS..  trans-62.6145.5172.829.3-37.2000111.1P146 G147 P148 D171 L177 A221P146-P169 HydrophobicContact CB-CG 4.49Å; G147-P169 VanDerWaalsContact O-CB 3.27Å; G147-P169 WeakPolarHBondContact O-CB 3.27Å; P148-P169 WeakPolarHBondContact O-CB 3.23Å; P169-D171 VanDerWaalsContact C-N 3.3Å; P169-L177 HydrophobicContact CG-CD1 3.66Å; P169-L177 HydrophobicContact CG-CD2 3.99Å; P169-L177 HydrophobicContact CG-CG 4.42Å; P169-A221 HydrophobicContact CG-CB 3.82Å
170Q94.4Very high93.2Very high172 Ų17247.7 Ų47.780%0.80426%0.26SS*.SBendtrans-69.4-31.4173.5-177.5176.57.300112.3
171D94.7Very high93.7Very high56 Ų5643.5 Ų43.530%0.29924%0.242SC..  trans-112.1117.1177.8-175.40.9000109.8R117 G147 P169 G173R117-D171 IonicContact CZ-OD1 2.57Å; R117-D171 IonicContact CZ-OD2 3.77Å; R117-D171 IonicContact NH1-OD1 3.04Å; R117-D171 PolarHBondContact NH1-OD1 3.2Å; R117-D171 VanDerWaalsContact NH1-OD1 3.08Å; R117-D171 IonicContact NH1-OD2 2.73Å; R117-D171 PolarHBondContact NH1-OD2 2.79Å; R117-D171 IonicContact NH2-OD2 3.13Å; R117-D171 PolarHBondContact NH2-OD2 2.86Å; G147-D171 PolarHBondContact N-O 3.15Å; P169-D171 VanDerWaalsContact C-N 3.3Å; D171-G173 PolarHBondContact OD1-N 2.85Å
172T94.7Very high94.3Very high49 Ų4941.8 Ų41.830%0.30123%0.233SC..  trans-95.32.9178.969.10000113.2T175 L177 N223T172-T175 WeakPolarHBondContact CB-O 3.41Å; T172-T175 PolarHBondContact OG1-O 3.38Å; T172-L177 HydrophobicContact CG2-CD1 4.12Å; T172-L177 HydrophobicContact CG2-CD2 4.26Å; T172-L177 HydrophobicContact CG2-CG 3.88Å; T172-N223 PolarHBondContact O-ND2 2.57Å
173G94.3Very high94.7Very high0 Ų043 Ų430%024%0.239CC..  trans73.73918000000113.6I143 E144 D171 T175I143-G173 CarbonylContact C-O 3.54Å; I143-G173 WeakPolarHBondContact CA-O 3.38Å; E144-G173 PolarHBondContact N-O 2.75Å; D171-G173 PolarHBondContact OD1-N 2.85Å; G173-T175 PolarHBondContact O-N 2.9Å; G173-T175 VanDerWaalsContact O-N 3.15Å
174N95Very high95Very high66 Ų6643.7 Ų43.735%0.35324%0.24SC..SBendtrans58.122.4-178-84.23.4000115L141 V142L141-N174 HydrophobicContact CD1-CB 4.43Å; V142-N174 VanDerWaalsContact O-CB 3.27Å; V142-N174 WeakPolarHBondContact O-CB 3.41Å; V142-N174 PolarHBondContact O-ND2 3.08Å; V142-N174 VanDerWaalsContact O-ND2 3.12Å
175T95.4Very high95Very high26 Ų2644 Ų4416%0.1624%0.242CC..SBendtrans-148.4163.5177.3-171.20000110.7I143 T172 G173 N223 Q224I143-T175 HydrophobicContact CB-CG2 4.42Å; I143-T175 HydrophobicContact CG2-CG2 4.44Å; T172-T175 WeakPolarHBondContact CB-O 3.41Å; T172-T175 PolarHBondContact OG1-O 3.38Å; G173-T175 PolarHBondContact O-N 2.9Å; G173-T175 VanDerWaalsContact O-N 3.15Å; T175-N223 HydrophobicContact CG2-CB 3.71Å; T175-N223 WeakPolarHBondContact CG2-ND2 3.26Å; T175-Q224 HydrophobicContact CG2-CG 3.97Å; T175-Q224 PolarHBondContact OG1-NE2 3.03Å
176A94.2Very high94.9Very high70 Ų7040.3 Ų40.358%0.57923%0.226SC*.  trans-69.9144.5179.700000110.9N223A176-N223 WeakPolarHBondContact O-CB 3.31Å
177L94.8Very high94.6Very high49 Ų4943.6 Ų43.626%0.25725%0.246SC..EExtended strand (participates in β ladder)trans-69.5136.5169-63.8174.6000109.6P146 P169 T172 A221 E222 N223P146-L177 HydrophobicContact CB-CD2 3.6Å; P146-L177 HydrophobicContact CG-CD2 4.11Å; P169-L177 HydrophobicContact CG-CD1 3.66Å; P169-L177 HydrophobicContact CG-CD2 3.99Å; P169-L177 HydrophobicContact CG-CG 4.42Å; T172-L177 HydrophobicContact CG2-CD1 4.12Å; T172-L177 HydrophobicContact CG2-CD2 4.26Å; T172-L177 HydrophobicContact CG2-CG 3.88Å; L177-A221 HydrophobicContact CD2-CB 4.21Å; L177-E222 CarbonylContact C-O 3.59Å; L177-E222 WeakPolarHBondContact CA-O 3.5Å; L177-N223 HydrophobicContact CD2-CB 4.49Å
178L93.7Very high94.2Very high107 Ų10748 Ų4856%0.5626%0.261SS*.EExtended strand (participates in β ladder)trans-93.2-27.6173.6-61.6-179.7000111.5E222 Q224L178-E222 PolarHBondContact N-O 3.05Å; L178-Q224 HydrophobicContact CD1-CB 4.38Å
179G94.4Very high93.9Very high3 Ų347.7 Ų47.73%0.03126%0.26CS..EExtended strand (participates in β ladder)trans165.5-156.217700000113.6Y199 E222G179-Y199 CarbonylContact C-O 3.58Å; G179-Y199 VanDerWaalsContact C-O 3.31Å; G179-Y199 WeakPolarHBondContact CA-O 3.41Å; G179-E222 PolarHBondContact N-O 3.3Å; G179-E222 WeakPolarHBondContact O-CB 3.31Å; G179-E222 PolarHBondContact O-N 3.1Å
180Y95.8Very high93.4Very high11 Ų1149.4 Ų49.44%0.04328%0.28CS..EExtended strand (participates in β ladder)trans-134.2146.2-178.8-58.1-82.4000110.6P149 W166 P168 H198 Y199 R201 T202 V219 F220 A221P149-Y180 HydrophobicContact CG-CD1 4.07Å; P149-Y180 HydrophobicContact CG-CE1 4.18Å; W166-Y180 HydrophobicContact CZ2-CD2 4.14Å; W166-Y180 HydrophobicContact CZ2-CG 4.03Å; W166-Y180 AromaticContact NE1-CD1 3.41Å; W166-Y180 AromaticContact NE1-CD2 3.68Å; W166-Y180 AromaticContact NE1-CE1 3.54Å; W166-Y180 AromaticContact NE1-CE2 3.83Å; W166-Y180 AromaticContact NE1-CG 3.5Å; W166-Y180 AromaticContact NE1-CZ 3.77Å; P168-Y180 WeakPolarHBondContact CA-OH 3.24Å; P168-Y180 WeakPolarHBondContact CB-OH 3.46Å; Y180-H198 PolarHBondContact O-N 2.86Å; Y180-Y199 VanDerWaalsContact CD2-O 3.26Å; Y180-Y199 WeakPolarHBondContact CD2-O 3.32Å; Y180-Y199 PolarHBondContact N-O 2.89Å; Y180-Y199 WeakPolarHBondContact O-CB 3.49Å; Y180-Y199 PolarHBondContact O-N 3.13Å; Y180-R201 VanDerWaalsContact CD2-O 3.31Å; Y180-R201 WeakPolarHBondContact CD2-O 3.37Å; Y180-T202 HydrophobicContact CE2-CG2 4.07Å; Y180-V219 HydrophobicContact CD1-CG1 4.1Å; Y180-V219 HydrophobicContact CG-CG1 4.38Å; Y180-F220 CarbonylContact C-O 3.59Å; Y180-F220 WeakPolarHBondContact CA-O 3.4Å; Y180-A221 HydrophobicContact CD1-CB 4.22Å; Y180-A221 HydrophobicContact CE1-CB 4.1Å
181T95.6Very high93.1Very high8 Ų846.4 Ų46.45%0.04927%0.268CS..EExtended strand (participates in β ladder)trans-112.1124170.4-680000109Q183 T194 L196 E197 V219 F220T181-Q183 HydrophobicContact CG2-CG 4.33Å; T181-T194 HydrophobicContact CG2-CG2 3.88Å; T181-L196 CarbonylContact C-O 3.58Å; T181-L196 VanDerWaalsContact CA-O 3.29Å; T181-L196 WeakPolarHBondContact CA-O 3.26Å; T181-L196 WeakPolarHBondContact CG2-O 3.33Å; T181-E197 HydrophobicContact CG2-CG 4.39Å; T181-V219 CarbonylContact O-C 3.52Å; T181-V219 WeakPolarHBondContact O-CA 3.34Å; T181-F220 PolarHBondContact N-O 3.26Å; T181-F220 PolarHBondContact O-N 2.52Å
182V95.9Very high93Very high0 Ų047.2 Ų47.20%027%0.267CS..EExtended strand (participates in β ladder)trans-108130.7-178.5-174.40000108.9L164 W166 V195 L196 V206 V219L164-V182 HydrophobicContact CD1-CG1 4.03Å; W166-V182 HydrophobicContact CH2-CG2 3.82Å; W166-V182 HydrophobicContact CZ2-CG2 4.36Å; W166-V182 HydrophobicContact CZ3-CG2 4.39Å; V182-V195 PolarHBondContact O-N 2.79Å; V182-L196 HydrophobicContact CB-CB 4.09Å; V182-L196 HydrophobicContact CB-CD1 4.43Å; V182-L196 HydrophobicContact CG2-CB 4.16Å; V182-L196 HydrophobicContact CG2-CD1 4.11Å; V182-L196 PolarHBondContact N-O 3.15Å; V182-L196 PolarHBondContact O-N 2.89Å; V182-V206 HydrophobicContact CG1-CG2 4.32Å; V182-V219 HydrophobicContact CG1-CG2 4.27Å; V182-V219 HydrophobicContact CG2-CG1 4.37Å; V182-V219 HydrophobicContact CG2-CG2 4.16Å
183Q95.4Very high92.9Very high26 Ų2650.4 Ų50.412%0.12128%0.277CS..EExtended strand (participates in β ladder)trans-124.1150.3176.1-53.9-167.8-39.300111.2T181 W192 F193 T194 F217 R218 F220T181-Q183 HydrophobicContact CG2-CG 4.33Å; Q183-W192 HydrophobicContact CB-CE3 3.94Å; Q183-F193 CarbonylContact C-O 3.53Å; Q183-F193 WeakPolarHBondContact CA-O 3.22Å; Q183-F193 WeakPolarHBondContact CB-O 3.19Å; Q183-T194 PolarHBondContact NE2-OG1 3.36Å; Q183-F217 WeakPolarHBondContact O-CA 3.39Å; Q183-R218 HydrophobicContact CB-CG 4.03Å; Q183-R218 PolarHBondContact N-O 2.87Å; Q183-R218 PolarHBondContact O-N 3.46Å; Q183-F220 HydrophobicContact CG-CE2 4.29Å
184K94.6Very high92.7Very high39 Ų3953.4 Ų53.417%0.1730%0.295CS..EExtended strand (participates in β ladder)trans-119.6143.9173.771.8-179.3177.9-1790110.3W192 F193 V195 V206 S207 D208 L209 Y215 A216 F217K184-W192 WeakPolarHBondContact O-CA 3.07Å; K184-F193 PolarHBondContact N-O 2.93Å; K184-F193 PolarHBondContact O-N 2.83Å; K184-V195 HydrophobicContact CB-CG2 3.86Å; K184-V195 HydrophobicContact CD-CG2 3.75Å; K184-V195 HydrophobicContact CG-CG2 3.57Å; K184-V206 HydrophobicContact CD-CG1 4.04Å; K184-S207 PolarHBondContact NZ-O 2.85Å; K184-D208 PolarHBondContact NZ-O 3.14Å; K184-L209 HydrophobicContact CD-CD2 3.79Å; K184-Y215 HydrophobicContact CD-CD1 4.36Å; K184-Y215 HydrophobicContact CD-CE1 4.41Å; K184-A216 WeakPolarHBondContact CA-O 3.38Å; K184-F217 HydrophobicContact CB-CD1 3.64Å; K184-F217 HydrophobicContact CB-CE1 3.65Å
185A93.5Very high92.5Very high5 Ų552.5 Ų52.54%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-128.2130.1167.600000109.1L191 W192 Y215 A216A185-L191 WeakPolarHBondContact CA-O 3.34Å; A185-L191 WeakPolarHBondContact CB-O 3.34Å; A185-W192 HydrophobicContact CB-CD2 3.57Å; A185-W192 HydrophobicContact CB-CE3 3.69Å; A185-W192 HydrophobicContact CB-CG 4.03Å; A185-W192 HydrophobicContact CB-CH2 4.2Å; A185-W192 HydrophobicContact CB-CZ2 4.1Å; A185-W192 HydrophobicContact CB-CZ3 3.99Å; A185-Y215 CarbonylContact O-C 3.55Å; A185-Y215 VanDerWaalsContact O-CA 3.28Å; A185-Y215 WeakPolarHBondContact O-CA 3.15Å; A185-A216 PolarHBondContact N-O 2.87Å; A185-A216 PolarHBondContact O-N 2.84Å
186D91.1Very high92.2Very high29 Ų2953.3 Ų53.316%0.15530%0.295CS..EExtended strand (participates in β ladder)trans-76.4140.8166.487.9-95.1000109.1K188 S189 G190 Y215D186-K188 PolarHBondContact O-N 2.96Å; D186-K188 VanDerWaalsContact OD2-CA 3.31Å; D186-K188 WeakPolarHBondContact OD2-CA 3.22Å; D186-K188 VanDerWaalsContact OD2-CB 3.22Å; D186-K188 WeakPolarHBondContact OD2-CB 3.42Å; D186-K188 PolarHBondContact OD2-N 2.97Å; D186-S189 PolarHBondContact O-N 2.84Å; D186-S189 WeakPolarHBondContact OD1-CB 3.15Å; D186-S189 PolarHBondContact OD1-OG 2.9Å; D186-S189 PolarHBondContact OD2-N 2.87Å; D186-G190 WeakPolarHBondContact O-CA 3.14Å; D186-G190 PolarHBondContact O-N 2.9Å; D186-Y215 HydrophobicContact CB-CD1 3.83Å; D186-Y215 HydrophobicContact CB-CE1 3.49Å; D186-Y215 VanDerWaalsContact CB-CE1 3.49Å
187T90Very high92.1Very high72 Ų7255.8 Ų55.844%0.44230%0.295SS..THydrogen-bonded Turntrans-66.1-17.4-176.346.40000114.3S214 L237T187-S214 WeakPolarHBondContact CB-O 3.49Å; T187-S214 WeakPolarHBondContact CG2-O 3.38Å; T187-S214 PolarHBondContact N-O 3.32Å; T187-S214 WeakPolarHBondContact OG1-CB 3.27Å; T187-S214 PolarHBondContact OG1-O 3Å; T187-L237 HydrophobicContact CG2-CD1 4Å; T187-L237 HydrophobicContact CG2-CD2 3.92Å
188K88.7Confident91.8Very high148 Ų14859.3 Ų59.364%0.64331%0.31SS*.THydrogen-bonded Turntrans-83.5-43.9179.7-56.7172.4179166.30110.8D186 G212 N213D186-K188 PolarHBondContact O-N 2.96Å; D186-K188 VanDerWaalsContact OD2-CA 3.31Å; D186-K188 WeakPolarHBondContact OD2-CA 3.22Å; D186-K188 VanDerWaalsContact OD2-CB 3.22Å; D186-K188 WeakPolarHBondContact OD2-CB 3.42Å; D186-K188 PolarHBondContact OD2-N 2.97Å; K188-G212 PolarHBondContact NZ-O 3.27Å; K188-N213 WeakPolarHBondContact CE-OD1 3.43Å; K188-N213 PolarHBondContact NZ-OD1 3.21Å
189S88.8Confident91.6Very high57 Ų5756.5 Ų56.540%0.39929%0.292SS..THydrogen-bonded Turntrans-85.4-31.6177.978.80000113.4D186 L191D186-S189 PolarHBondContact O-N 2.84Å; D186-S189 WeakPolarHBondContact OD1-CB 3.15Å; D186-S189 PolarHBondContact OD1-OG 2.9Å; D186-S189 PolarHBondContact OD2-N 2.87Å; S189-L191 PolarHBondContact O-N 3.02Å; S189-L191 VanDerWaalsContact O-N 3.15Å; S189-L191 PolarHBondContact OG-N 2.9Å; S189-L191 VanDerWaalsContact OG-N 3.13Å
190G87.1Confident91.4Very high45 Ų4562.9 Ų62.946%0.46432%0.321SS..  trans67.12.6-172.100000114.4D186D186-G190 WeakPolarHBondContact O-CA 3.14Å; D186-G190 PolarHBondContact O-N 2.9Å
191L88.6Confident91.2Very high108 Ų10869.6 Ų69.657%0.56535%0.346SS*.  trans-82.2129.6-178.1-65.4178.1000110.7A185 S189 F193A185-L191 WeakPolarHBondContact CA-O 3.34Å; A185-L191 WeakPolarHBondContact CB-O 3.34Å; S189-L191 PolarHBondContact O-N 3.02Å; S189-L191 VanDerWaalsContact O-N 3.15Å; S189-L191 PolarHBondContact OG-N 2.9Å; S189-L191 VanDerWaalsContact OG-N 3.13Å; L191-F193 HydrophobicContact CB-CE2 3.69Å; L191-F193 HydrophobicContact CB-CZ 3.99Å; L191-F193 HydrophobicContact CD1-CZ 4.4Å; L191-F193 WeakPolarHBondContact O-CD2 3.31Å
192W92.6Very high91.1Very high74 Ų7471.6 Ų71.628%0.2836%0.358SS..EExtended strand (participates in β ladder)trans-86.8128.5178.1-68.290.6000111.1Q183 K184 A185 A216 R218 I233Q183-W192 HydrophobicContact CB-CE3 3.94Å; K184-W192 WeakPolarHBondContact O-CA 3.07Å; A185-W192 HydrophobicContact CB-CD2 3.57Å; A185-W192 HydrophobicContact CB-CE3 3.69Å; A185-W192 HydrophobicContact CB-CG 4.03Å; A185-W192 HydrophobicContact CB-CH2 4.2Å; A185-W192 HydrophobicContact CB-CZ2 4.1Å; A185-W192 HydrophobicContact CB-CZ3 3.99Å; W192-A216 HydrophobicContact CH2-CB 4.03Å; W192-R218 HydrophobicContact CD2-CG 4.29Å; W192-R218 HydrophobicContact CE3-CB 4.4Å; W192-R218 HydrophobicContact CE3-CG 3.63Å; W192-R218 HydrophobicContact CH2-CB 3.84Å; W192-R218 HydrophobicContact CH2-CG 3.94Å; W192-R218 HydrophobicContact CZ3-CB 3.71Å; W192-R218 HydrophobicContact CZ3-CG 3.44Å; W192-R218 VanDerWaalsContact CZ3-CG 3.44Å; W192-I233 HydrophobicContact CH2-CD1 4.31Å; W192-I233 HydrophobicContact CH2-CG1 4.11Å; W192-I233 HydrophobicContact CH2-CG2 4.05Å; W192-I233 HydrophobicContact CZ2-CD1 3.93Å; W192-I233 HydrophobicContact CZ2-CG1 4.21Å
193F90.8Very high90.9Very high115 Ų11574.1 Ų74.150%0.50438%0.376SS..EExtended strand (participates in β ladder)trans-121.4137.9175.5-63.1-84.1000110.6Q183 K184 L191Q183-F193 CarbonylContact C-O 3.53Å; Q183-F193 WeakPolarHBondContact CA-O 3.22Å; Q183-F193 WeakPolarHBondContact CB-O 3.19Å; K184-F193 PolarHBondContact N-O 2.93Å; K184-F193 PolarHBondContact O-N 2.83Å; L191-F193 HydrophobicContact CB-CE2 3.69Å; L191-F193 HydrophobicContact CB-CZ 3.99Å; L191-F193 HydrophobicContact CD1-CZ 4.4Å; L191-F193 WeakPolarHBondContact O-CD2 3.31Å
194T90.4Very high90.6Very high63 Ų6373.2 Ų73.239%0.38737%0.372SS..EExtended strand (participates in β ladder)trans-72.3129.7174.9-54.80000111.3T181 Q183 L196 E197T181-T194 HydrophobicContact CG2-CG2 3.88Å; Q183-T194 PolarHBondContact NE2-OG1 3.36Å; T194-L196 WeakPolarHBondContact CG2-O 3.36Å; T194-E197 HydrophobicContact CG2-CG 3.38Å
195V90.6Very high90.3Very high47 Ų4775.8 Ų75.829%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-104.6-41.4178.1-175.30000110.5V182 K184 V206V182-V195 PolarHBondContact O-N 2.79Å; K184-V195 HydrophobicContact CB-CG2 3.86Å; K184-V195 HydrophobicContact CD-CG2 3.75Å; K184-V195 HydrophobicContact CG-CG2 3.57Å; V195-V206 HydrophobicContact CG1-CB 4.48Å; V195-V206 HydrophobicContact CG1-CG1 3.83Å; V195-V206 HydrophobicContact CG1-CG2 4.29Å; V195-V206 HydrophobicContact CG2-CG1 4.09Å
196L90.5Very high90.1Very high43 Ų4375.5 Ų75.523%0.22539%0.385CS..EExtended strand (participates in β ladder)trans-137.2143.1179.6-62.8172.1000109.4T181 V182 T194 Y199 C204T181-L196 CarbonylContact C-O 3.58Å; T181-L196 VanDerWaalsContact CA-O 3.29Å; T181-L196 WeakPolarHBondContact CA-O 3.26Å; T181-L196 WeakPolarHBondContact CG2-O 3.33Å; V182-L196 HydrophobicContact CB-CB 4.09Å; V182-L196 HydrophobicContact CB-CD1 4.43Å; V182-L196 HydrophobicContact CG2-CB 4.16Å; V182-L196 HydrophobicContact CG2-CD1 4.11Å; V182-L196 PolarHBondContact N-O 3.15Å; V182-L196 PolarHBondContact O-N 2.89Å; T194-L196 WeakPolarHBondContact CG2-O 3.36Å; L196-Y199 HydrophobicContact CD1-CD1 4.34Å; L196-Y199 HydrophobicContact CD1-CD2 4.17Å; L196-Y199 HydrophobicContact CD1-CE2 4.41Å; L196-Y199 HydrophobicContact CD1-CG 4.13Å; L196-C204 HydrophobicContact CD1-CB 3.63Å
197E91.6Very high89.9Confident123 Ų12375.5 Ų75.558%0.57539%0.387SS*.EExtended strand (participates in β ladder)trans-128.7149.4173.8-65.7-179.3158.300108.5T181 T194 Y199T181-E197 HydrophobicContact CG2-CG 4.39Å; T194-E197 HydrophobicContact CG2-CG 3.38Å; E197-Y199 PolarHBondContact O-N 3.14Å; E197-Y199 VanDerWaalsContact O-N 3.09Å
198H88Confident89.6Confident122 Ų12276.9 Ų76.957%0.56539%0.392SS*.EExtended strand (participates in β ladder)trans51.434.5177.5-48.2-54000114Y180 E222Y180-H198 PolarHBondContact O-N 2.86Å; H198-E222 IonicContact CE1-OE1 3.19Å; H198-E222 PolarHBondContact CE1-OE1 2.91Å; H198-E222 IonicContact CE1-OE2 2.73Å; H198-E222 IonicContact CG-OE2 3.23Å; H198-E222 IonicContact ND1-OE1 2.92Å; H198-E222 PolarHBondContact ND1-OE1 2.81Å; H198-E222 IonicContact ND1-OE2 2.9Å; H198-E222 PolarHBondContact ND1-OE2 2.83Å
199Y90.6Very high89.5Confident48 Ų4870 Ų7019%0.18836%0.362CS..EExtended strand (participates in β ladder)trans-81.8128.8-174.3-170.8-111.3000111.2W166 G179 Y180 L196 E197 R201 S203 C204W166-Y199 HydrophobicContact CH2-CD1 4.18Å; W166-Y199 HydrophobicContact CH2-CE1 4.3Å; W166-Y199 HydrophobicContact CZ2-CD1 4.18Å; G179-Y199 CarbonylContact C-O 3.58Å; G179-Y199 VanDerWaalsContact C-O 3.31Å; G179-Y199 WeakPolarHBondContact CA-O 3.41Å; Y180-Y199 VanDerWaalsContact CD2-O 3.26Å; Y180-Y199 WeakPolarHBondContact CD2-O 3.32Å; Y180-Y199 PolarHBondContact N-O 2.89Å; Y180-Y199 WeakPolarHBondContact O-CB 3.49Å; Y180-Y199 PolarHBondContact O-N 3.13Å; L196-Y199 HydrophobicContact CD1-CD1 4.34Å; L196-Y199 HydrophobicContact CD1-CD2 4.17Å; L196-Y199 HydrophobicContact CD1-CE2 4.41Å; L196-Y199 HydrophobicContact CD1-CG 4.13Å; E197-Y199 PolarHBondContact O-N 3.14Å; E197-Y199 VanDerWaalsContact O-N 3.09Å; Y199-R201 HydrophobicContact CD1-CB 4.29Å; Y199-R201 VanDerWaalsContact CD1-O 3.31Å; Y199-R201 WeakPolarHBondContact CD1-O 3.16Å; Y199-R201 HydrophobicContact CE1-CB 3.52Å; Y199-R201 HydrophobicContact CE1-CG 4.22Å; Y199-R201 WeakPolarHBondContact CE1-O 3.47Å; Y199-S203 VanDerWaalsContact CE1-O 3.27Å; Y199-S203 WeakPolarHBondContact CE1-O 3.45Å; Y199-S203 PolarHBondContact OH-O 3.06Å; Y199-S203 VanDerWaalsContact OH-O 3.05Å; Y199-C204 HydrophobicContact CE1-CB 3.83Å
200H90.2Very high89.5Confident137 Ų13772.1 Ų72.163%0.63437%0.368SS*.  trans-93.5-6.4-169.759.9-88.1000114.8
201R91.6Very high89.4Confident152 Ų15273.3 Ų73.357%0.57436%0.363SS*.SBendtrans-102.8165.6-179.5-47.9-175179.3-176.1-5.3111.4W166 Y180 Y199W166-R201 WeakPolarHBondContact CZ2-O 3.5Å; Y180-R201 VanDerWaalsContact CD2-O 3.31Å; Y180-R201 WeakPolarHBondContact CD2-O 3.37Å; Y199-R201 HydrophobicContact CD1-CB 4.29Å; Y199-R201 VanDerWaalsContact CD1-O 3.31Å; Y199-R201 WeakPolarHBondContact CD1-O 3.16Å; Y199-R201 HydrophobicContact CE1-CB 3.52Å; Y199-R201 HydrophobicContact CE1-CG 4.22Å; Y199-R201 WeakPolarHBondContact CE1-O 3.47Å
202T93Very high89.2Confident50 Ų5070.6 Ų70.631%0.30736%0.361SS..SBendtrans-102.810.3-179.754.50000113.6E165 W166 P168 Y180E165-T202 WeakPolarHBondContact CA-O 3.49Å; W166-T202 PolarHBondContact N-O 2.83Å; W166-T202 WeakPolarHBondContact O-CB 3.39Å; P168-T202 HydrophobicContact CG-CG2 3.86Å; Y180-T202 HydrophobicContact CE2-CG2 4.07Å
203S91.8Very high89.1Confident54 Ų5468 Ų6838%0.37835%0.352SS..EExtended strand (participates in β ladder)trans-143.4143.9171.363.90000110.2L164 Y199L164-S203 CarbonylContact O-C 3.54Å; L164-S203 WeakPolarHBondContact O-CA 3.35Å; L164-S203 WeakPolarHBondContact O-CB 3.28Å; Y199-S203 VanDerWaalsContact CE1-O 3.27Å; Y199-S203 WeakPolarHBondContact CE1-O 3.45Å; Y199-S203 PolarHBondContact OH-O 3.06Å; Y199-S203 VanDerWaalsContact OH-O 3.05Å
204C88.9Confident89.2Confident6 Ų663.7 Ų63.74%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-149.516017976.90000112.3T163 L164 W166 L196 Y199T163-C204 WeakPolarHBondContact CA-O 3.33Å; L164-C204 PolarHBondContact N-O 2.78Å; L164-C204 PolarHBondContact O-N 2.81Å; W166-C204 HydrophobicContact CH2-CB 4.03Å; W166-C204 HydrophobicContact CZ3-CB 4.27Å; L196-C204 HydrophobicContact CD1-CB 3.63Å; Y199-C204 HydrophobicContact CE1-CB 3.83Å
205I87.9Confident89.4Confident93 Ų9361.2 Ų61.248%0.47732%0.32SS..EExtended strand (participates in β ladder)trans-106.5118.3171.8-56.7173.2000107.4W158 N161 A162W158-I205 HydrophobicContact CH2-CD1 4.24Å; W158-I205 HydrophobicContact CH2-CG1 4.33Å; W158-I205 HydrophobicContact CH2-CG2 4.45Å; W158-I205 HydrophobicContact CZ2-CD1 4.13Å; W158-I205 HydrophobicContact CZ2-CG2 4.13Å; N161-I205 HydrophobicContact CB-CG2 3.88Å; A162-I205 CarbonylContact O-C 3.56Å; A162-I205 WeakPolarHBondContact O-CA 3.46Å
206V89.2Confident89.7Confident0 Ų059.7 Ų59.70%031%0.312CS..EExtended strand (participates in β ladder)trans-91.3117.6172.5-179.40000108.8N161 A162 L164 V182 K184 V195 L209 F217N161-V206 CarbonylContact C-O 3.56Å; N161-V206 WeakPolarHBondContact CA-O 3.4Å; A162-V206 PolarHBondContact N-O 3.23Å; A162-V206 PolarHBondContact O-N 2.77Å; L164-V206 HydrophobicContact CD1-CG2 3.78Å; L164-V206 HydrophobicContact CG-CG2 4.44Å; V182-V206 HydrophobicContact CG1-CG2 4.32Å; K184-V206 HydrophobicContact CD-CG1 4.04Å; V195-V206 HydrophobicContact CG1-CB 4.48Å; V195-V206 HydrophobicContact CG1-CG1 3.83Å; V195-V206 HydrophobicContact CG1-CG2 4.29Å; V195-V206 HydrophobicContact CG2-CG1 4.09Å; V206-L209 HydrophobicContact CG1-CD2 4.04Å; V206-F217 HydrophobicContact CB-CE1 3.92Å; V206-F217 HydrophobicContact CG1-CD1 4.43Å; V206-F217 HydrophobicContact CG1-CE1 3.7Å; V206-F217 HydrophobicContact CG2-CD1 4.15Å; V206-F217 HydrophobicContact CG2-CE1 4.03Å
207S86.3Confident89.9Confident29 Ų2957.6 Ų57.620%0.20330%0.302CS..  trans-101.8178.4-178.4-65.20000113.5F160 N161 K184 L209F160-S207 CarbonylContact O-C 3.57Å; N161-S207 VanDerWaalsContact OD1-CA 3.24Å; N161-S207 WeakPolarHBondContact OD1-CA 3.29Å; N161-S207 WeakPolarHBondContact OD1-CB 3.42Å; N161-S207 PolarHBondContact OD1-OG 2.8Å; K184-S207 PolarHBondContact NZ-O 2.85Å; S207-L209 VanDerWaalsContact C-N 3.29Å; S207-L209 PolarHBondContact O-N 2.9Å
208D84.6Confident90.2Very high101 Ų10154.8 Ų54.854%0.5429%0.286SS..  trans58.244173.3-49.6-43.9000111.1F160 K184 R289F160-D208 PolarHBondContact O-N 3.4Å; K184-D208 PolarHBondContact NZ-O 3.14Å; D208-R289 IonicContact OD1-NH1 2.89Å; D208-R289 IonicContact OD2-NH1 3.23Å
209L87.2Confident90.6Very high3 Ų349 Ų492%0.01626%0.259CS..PPolyproline II helixtrans-86.8144.3170.9-54.3179.1000109.9F160 A162 K184 V206 S207 Y215 F217 I240F160-L209 WeakPolarHBondContact CD1-O 3.46Å; F160-L209 WeakPolarHBondContact O-CB 3.41Å; F160-L209 WeakPolarHBondContact O-CG 3.17Å; F160-L209 PolarHBondContact O-N 3.22Å; A162-L209 HydrophobicContact CB-CD1 3.7Å; K184-L209 HydrophobicContact CD-CD2 3.79Å; V206-L209 HydrophobicContact CG1-CD2 4.04Å; S207-L209 VanDerWaalsContact C-N 3.29Å; S207-L209 PolarHBondContact O-N 2.9Å; L209-Y215 HydrophobicContact CB-CD2 4.2Å; L209-Y215 HydrophobicContact CB-CE2 3.85Å; L209-Y215 HydrophobicContact CD1-CD2 4.48Å; L209-Y215 HydrophobicContact CD2-CD1 4.08Å; L209-Y215 HydrophobicContact CD2-CD2 3.93Å; L209-Y215 HydrophobicContact CD2-CE1 4.16Å; L209-Y215 HydrophobicContact CD2-CE2 4.01Å; L209-Y215 HydrophobicContact CD2-CG 3.98Å; L209-Y215 HydrophobicContact CG-CD2 4.44Å; L209-Y215 HydrophobicContact CG-CE2 4.47Å; L209-F217 HydrophobicContact CD1-CZ 4.08Å; L209-F217 HydrophobicContact CD2-CE1 4.39Å; L209-F217 HydrophobicContact CD2-CZ 4.38Å; L209-I240 HydrophobicContact CB-CD1 4.08Å; L209-I240 HydrophobicContact CB-CG1 3.89Å; L209-I240 HydrophobicContact CD1-CD1 3.69Å; L209-I240 HydrophobicContact CD1-CG1 4.33Å
210I87.1Confident90.9Very high102 Ų10247.9 Ų47.952%0.52326%0.255SS..PPolyproline II helixtrans-91.4131.2-173.8-60.7171.1000110.2N213 Y215 I240I210-N213 HydrophobicContact CB-CB 4.39Å; I210-N213 WeakPolarHBondContact O-CB 3.34Å; I210-N213 PolarHBondContact O-N 3.09Å; I210-N213 VanDerWaalsContact O-N 3.14Å; I210-Y215 WeakPolarHBondContact CB-OH 3.37Å; I210-Y215 PolarHBondContact N-OH 3.01Å; I210-I240 WeakPolarHBondContact O-CB 3.48Å
211I85.3Confident91.3Very high70 Ų7041.3 Ų41.336%0.35923%0.225SC..THydrogen-bonded Turntrans-60.7136.9172.7-63.9168.7000110.2F160 N213 I240 A243F160-I211 HydrophobicContact CD1-CD1 4.1Å; F160-I211 HydrophobicContact CD1-CG1 3.88Å; F160-I211 HydrophobicContact CE1-CD1 3.26Å; F160-I211 HydrophobicContact CE1-CG1 3.53Å; F160-I211 HydrophobicContact CZ-CD1 3.82Å; I211-N213 VanDerWaalsContact C-N 3.3Å; I211-I240 CarbonylContact C-O 3.5Å; I211-I240 WeakPolarHBondContact CA-O 3.38Å; I211-I240 HydrophobicContact CB-CG2 4.38Å; I211-I240 HydrophobicContact CG1-CG2 3.96Å; I211-A243 HydrophobicContact CD1-CB 3.81Å
212G85.5Confident91.5Very high50 Ų5035.3 Ų35.352%0.51520%0.203SC..THydrogen-bonded Turntrans84.20.7-175.400000113.7K188 I240K188-G212 PolarHBondContact NZ-O 3.27Å; G212-I240 PolarHBondContact N-O 3.23Å
213N90.4Very high91.6Very high20 Ų2033 Ų3311%0.10719%0.189CC..  trans-103.1156.1173.2-70.7-2.5000111.5K188 I210 I211 Y215 I240K188-N213 WeakPolarHBondContact CE-OD1 3.43Å; K188-N213 PolarHBondContact NZ-OD1 3.21Å; I210-N213 HydrophobicContact CB-CB 4.39Å; I210-N213 WeakPolarHBondContact O-CB 3.34Å; I210-N213 PolarHBondContact O-N 3.09Å; I210-N213 VanDerWaalsContact O-N 3.14Å; I211-N213 VanDerWaalsContact C-N 3.3Å; N213-Y215 HydrophobicContact CB-CD2 4.27Å; N213-Y215 HydrophobicContact CB-CE2 3.52Å; N213-Y215 PolarHBondContact ND2-OH 3.39Å; N213-I240 PolarHBondContact O-N 2.9Å
214S93.3Very high91.7Very high25 Ų2535 Ų3518%0.17519%0.192CC..EExtended strand (participates in β ladder)trans-116.6135.4169.9-45.80000108.6T187 A238 H239T187-S214 WeakPolarHBondContact CB-O 3.49Å; T187-S214 WeakPolarHBondContact CG2-O 3.38Å; T187-S214 PolarHBondContact N-O 3.32Å; T187-S214 WeakPolarHBondContact OG1-CB 3.27Å; T187-S214 PolarHBondContact OG1-O 3Å; S214-A238 VanDerWaalsContact CA-O 3.3Å; S214-A238 WeakPolarHBondContact CA-O 3.27Å; S214-H239 WeakPolarHBondContact CB-ND1 3.47Å; S214-H239 PolarHBondContact OG-ND1 2.82Å
215Y94.8Very high91.9Very high11 Ų1135.3 Ų35.34%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-119.4141.6-176.2-67.9-93.3000111.8K184 A185 D186 L209 I210 N213 L237 A238 I240K184-Y215 HydrophobicContact CD-CD1 4.36Å; K184-Y215 HydrophobicContact CD-CE1 4.41Å; A185-Y215 CarbonylContact O-C 3.55Å; A185-Y215 VanDerWaalsContact O-CA 3.28Å; A185-Y215 WeakPolarHBondContact O-CA 3.15Å; D186-Y215 HydrophobicContact CB-CD1 3.83Å; D186-Y215 HydrophobicContact CB-CE1 3.49Å; D186-Y215 VanDerWaalsContact CB-CE1 3.49Å; L209-Y215 HydrophobicContact CB-CD2 4.2Å; L209-Y215 HydrophobicContact CB-CE2 3.85Å; L209-Y215 HydrophobicContact CD1-CD2 4.48Å; L209-Y215 HydrophobicContact CD2-CD1 4.08Å; L209-Y215 HydrophobicContact CD2-CD2 3.93Å; L209-Y215 HydrophobicContact CD2-CE1 4.16Å; L209-Y215 HydrophobicContact CD2-CE2 4.01Å; L209-Y215 HydrophobicContact CD2-CG 3.98Å; L209-Y215 HydrophobicContact CG-CD2 4.44Å; L209-Y215 HydrophobicContact CG-CE2 4.47Å; I210-Y215 WeakPolarHBondContact CB-OH 3.37Å; I210-Y215 PolarHBondContact N-OH 3.01Å; N213-Y215 HydrophobicContact CB-CD2 4.27Å; N213-Y215 HydrophobicContact CB-CE2 3.52Å; N213-Y215 PolarHBondContact ND2-OH 3.39Å; Y215-L237 WeakPolarHBondContact O-CA 3.35Å; Y215-A238 PolarHBondContact N-O 3.35Å; Y215-A238 PolarHBondContact O-N 2.96Å; Y215-I240 HydrophobicContact CD2-CG1 4.04Å; Y215-I240 HydrophobicContact CE2-CG1 4.16Å
216A95.7Very high92.2Very high14 Ų1431.9 Ų31.912%0.11618%0.182CC..EExtended strand (participates in β ladder)trans-103.3148.9163.100000109.3K184 A185 W192 I233 L237K184-A216 WeakPolarHBondContact CA-O 3.38Å; A185-A216 PolarHBondContact N-O 2.87Å; A185-A216 PolarHBondContact O-N 2.84Å; W192-A216 HydrophobicContact CH2-CB 4.03Å; A216-I233 HydrophobicContact CB-CG2 4.08Å; A216-L237 HydrophobicContact CB-CD2 3.83Å
217F96.1Very high92.5Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-124.4147.8177.1-52.9-84.8000110.7L154 A162 L164 Q183 K184 V206 L209 I233 T234 A238L154-F217 HydrophobicContact CD1-CE2 4.24Å; A162-F217 HydrophobicContact CB-CE2 3.98Å; A162-F217 HydrophobicContact CB-CZ 3.78Å; L164-F217 HydrophobicContact CD1-CB 3.52Å; L164-F217 HydrophobicContact CD1-CD1 3.85Å; L164-F217 HydrophobicContact CD1-CD2 4.11Å; L164-F217 HydrophobicContact CD1-CG 3.56Å; L164-F217 HydrophobicContact CD2-CB 4.14Å; L164-F217 HydrophobicContact CD2-CD2 3.67Å; L164-F217 HydrophobicContact CD2-CE2 4.26Å; L164-F217 HydrophobicContact CD2-CG 3.99Å; L164-F217 HydrophobicContact CG-CB 4.48Å; L164-F217 HydrophobicContact CG-CD2 4.39Å; L164-F217 HydrophobicContact CG-CG 4.31Å; Q183-F217 WeakPolarHBondContact O-CA 3.39Å; K184-F217 HydrophobicContact CB-CD1 3.64Å; K184-F217 HydrophobicContact CB-CE1 3.65Å; V206-F217 HydrophobicContact CB-CE1 3.92Å; V206-F217 HydrophobicContact CG1-CD1 4.43Å; V206-F217 HydrophobicContact CG1-CE1 3.7Å; V206-F217 HydrophobicContact CG2-CD1 4.15Å; V206-F217 HydrophobicContact CG2-CE1 4.03Å; L209-F217 HydrophobicContact CD1-CZ 4.08Å; L209-F217 HydrophobicContact CD2-CE1 4.39Å; L209-F217 HydrophobicContact CD2-CZ 4.38Å; F217-I233 CarbonylContact O-C 3.56Å; F217-I233 VanDerWaalsContact O-CA 3.24Å; F217-I233 WeakPolarHBondContact O-CA 3.45Å; F217-T234 HydrophobicContact CB-CG2 3.91Å; F217-T234 HydrophobicContact CD2-CG2 4.2Å; F217-T234 PolarHBondContact N-OG1 2.73Å; F217-T234 VanDerWaalsContact N-OG1 3.15Å; F217-T234 PolarHBondContact O-N 3.31Å; F217-A238 HydrophobicContact CE2-CB 3.58Å; F217-A238 HydrophobicContact CZ-CB 4.09Å
218R96.3Very high93Very high64 Ų6433.6 Ų33.624%0.24219%0.189CC..EExtended strand (participates in β ladder)trans-136.4147.8172.475.1-174.3177.6176.90.7110.4Q183 W192 F220 A231 P232 I233Q183-R218 HydrophobicContact CB-CG 4.03Å; Q183-R218 PolarHBondContact N-O 2.87Å; Q183-R218 PolarHBondContact O-N 3.46Å; W192-R218 HydrophobicContact CD2-CG 4.29Å; W192-R218 HydrophobicContact CE3-CB 4.4Å; W192-R218 HydrophobicContact CE3-CG 3.63Å; W192-R218 HydrophobicContact CH2-CB 3.84Å; W192-R218 HydrophobicContact CH2-CG 3.94Å; W192-R218 HydrophobicContact CZ3-CB 3.71Å; W192-R218 HydrophobicContact CZ3-CG 3.44Å; W192-R218 VanDerWaalsContact CZ3-CG 3.44Å; R218-F220 HydrophobicContact CG-CE2 3.84Å; R218-F220 HydrophobicContact CG-CZ 4.48Å; R218-A231 HydrophobicContact CB-CB 3.99Å; R218-A231 HydrophobicContact CG-CB 4.07Å; R218-P232 VanDerWaalsContact CA-O 3.26Å; R218-P232 WeakPolarHBondContact CA-O 3.24Å; R218-P232 WeakPolarHBondContact CB-O 3.26Å; R218-I233 HydrophobicContact CB-CG1 3.94Å
219V97.3Very high93.3Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-126.1130.2-177.1-175.60000109.2P149 I152 W166 Y180 T181 V182 A231 P232P149-V219 WeakPolarHBondContact CD-O 3.28Å; P149-V219 HydrophobicContact CG-CB 4.28Å; P149-V219 HydrophobicContact CG-CG1 3.94Å; I152-V219 HydrophobicContact CD1-CB 4.22Å; I152-V219 HydrophobicContact CD1-CG2 3.53Å; I152-V219 HydrophobicContact CG1-CG2 4.28Å; W166-V219 HydrophobicContact CD2-CG1 4.09Å; W166-V219 HydrophobicContact CD2-CG2 4.22Å; W166-V219 HydrophobicContact CE3-CG2 4.03Å; W166-V219 HydrophobicContact CG-CG1 4.43Å; W166-V219 HydrophobicContact CZ2-CG1 4.09Å; W166-V219 HydrophobicContact CZ3-CG2 4.26Å; Y180-V219 HydrophobicContact CD1-CG1 4.1Å; Y180-V219 HydrophobicContact CG-CG1 4.38Å; T181-V219 CarbonylContact O-C 3.52Å; T181-V219 WeakPolarHBondContact O-CA 3.34Å; V182-V219 HydrophobicContact CG1-CG2 4.27Å; V182-V219 HydrophobicContact CG2-CG1 4.37Å; V182-V219 HydrophobicContact CG2-CG2 4.16Å; V219-A231 WeakPolarHBondContact O-CB 3.42Å; V219-P232 PolarHBondContact N-O 2.77Å; V219-P232 WeakPolarHBondContact O-CD 3.42Å
220F97.6Very high93.5Very high24 Ų2440.5 Ų40.511%0.10522%0.223CC..EExtended strand (participates in β ladder)trans-102.1140.1171.4-63-96.8000108.9Y180 T181 Q183 R218 L227 S228 A231Y180-F220 CarbonylContact C-O 3.59Å; Y180-F220 WeakPolarHBondContact CA-O 3.4Å; T181-F220 PolarHBondContact N-O 3.26Å; T181-F220 PolarHBondContact O-N 2.52Å; Q183-F220 HydrophobicContact CG-CE2 4.29Å; R218-F220 HydrophobicContact CG-CE2 3.84Å; R218-F220 HydrophobicContact CG-CZ 4.48Å; F220-L227 HydrophobicContact CB-CB 4.19Å; F220-L227 HydrophobicContact CB-CD1 4.43Å; F220-L227 HydrophobicContact CB-CD2 4.02Å; F220-L227 HydrophobicContact CB-CG 4.44Å; F220-L227 HydrophobicContact CD1-CB 4.18Å; F220-L227 HydrophobicContact CD1-CD1 4.47Å; F220-L227 HydrophobicContact CG-CB 4.45Å; F220-L227 HydrophobicContact CG-CD1 4.33Å; F220-S228 WeakPolarHBondContact CD1-O 3.3Å; F220-A231 HydrophobicContact CD1-CB 3.63Å; F220-A231 HydrophobicContact CD2-CB 3.81Å; F220-A231 HydrophobicContact CE1-CB 3.43Å; F220-A231 VanDerWaalsContact CE1-CB 3.43Å; F220-A231 HydrophobicContact CE2-CB 3.61Å; F220-A231 HydrophobicContact CG-CB 3.81Å; F220-A231 HydrophobicContact CZ-CB 3.41Å; F220-A231 VanDerWaalsContact CZ-CB 3.41Å
221A97.5Very high93.7Very high0 Ų036.6 Ų36.60%021%0.206CC..EExtended strand (participates in β ladder)trans-83149.6163.500000109.1P146 P149 P169 L177 Y180 L227 S228P146-A221 HydrophobicContact CB-CB 4.03Å; P146-A221 HydrophobicContact CG-CB 3.79Å; P146-A221 WeakPolarHBondContact CG-O 3.15Å; P149-A221 HydrophobicContact CG-CB 4.03Å; P169-A221 HydrophobicContact CG-CB 3.82Å; L177-A221 HydrophobicContact CD2-CB 4.21Å; Y180-A221 HydrophobicContact CD1-CB 4.22Å; Y180-A221 HydrophobicContact CE1-CB 4.1Å; A221-L227 CarbonylContact O-C 3.58Å; A221-L227 VanDerWaalsContact O-CA 3.3Å; A221-L227 WeakPolarHBondContact O-CA 3.32Å; A221-S228 PolarHBondContact N-OG 3.04Å; A221-S228 PolarHBondContact O-N 3.48Å
222E95.1Very high94Very high25 Ų2534.9 Ų34.912%0.11720%0.2CC..EExtended strand (participates in β ladder)trans-130.2134.4-177.7-172.6179.4-177.200111L177 L178 G179 H198 L227L177-E222 CarbonylContact C-O 3.59Å; L177-E222 WeakPolarHBondContact CA-O 3.5Å; L178-E222 PolarHBondContact N-O 3.05Å; G179-E222 PolarHBondContact N-O 3.3Å; G179-E222 WeakPolarHBondContact O-CB 3.31Å; G179-E222 PolarHBondContact O-N 3.1Å; H198-E222 IonicContact CE1-OE1 3.19Å; H198-E222 PolarHBondContact CE1-OE1 2.91Å; H198-E222 IonicContact CE1-OE2 2.73Å; H198-E222 IonicContact CG-OE2 3.23Å; H198-E222 IonicContact ND1-OE1 2.92Å; H198-E222 PolarHBondContact ND1-OE1 2.81Å; H198-E222 IonicContact ND1-OE2 2.9Å; H198-E222 PolarHBondContact ND1-OE2 2.83Å; E222-L227 HydrophobicContact CB-CD2 3.89Å; E222-L227 HydrophobicContact CG-CD2 3.96Å
223N95.8Very high94.4Very high2 Ų236.7 Ų36.71%0.01120%0.197CC..EExtended strand (participates in β ladder)trans-134.3-173.4166.773.312.6000110.4E144 P146 T172 T175 A176 L177 C225 G226E144-N223 PolarHBondContact O-ND2 2.78Å; P146-N223 VanDerWaalsContact CD-CG 3.48Å; P146-N223 WeakPolarHBondContact CD-ND2 3.37Å; P146-N223 HydrophobicContact CG-CB 4.36Å; T172-N223 PolarHBondContact O-ND2 2.57Å; T175-N223 HydrophobicContact CG2-CB 3.71Å; T175-N223 WeakPolarHBondContact CG2-ND2 3.26Å; A176-N223 WeakPolarHBondContact O-CB 3.31Å; L177-N223 HydrophobicContact CD2-CB 4.49Å; N223-C225 PolarHBondContact O-N 2.73Å; N223-C225 VanDerWaalsContact O-N 3.11Å; N223-C225 WeakPolarHBondContact OD1-CA 3.14Å; N223-C225 VanDerWaalsContact OD1-CB 3.23Å; N223-C225 WeakPolarHBondContact OD1-CB 3.38Å; N223-C225 PolarHBondContact OD1-N 3Å; N223-G226 PolarHBondContact N-O 3.39Å; N223-G226 WeakPolarHBondContact O-CA 3.33Å; N223-G226 PolarHBondContact O-N 3.25Å; N223-G226 PolarHBondContact OD1-N 3Å; N223-G226 PolarHBondContact OD1-O 2.92Å
224Q94.7Very high94.4Very high95 Ų9536.1 Ų36.144%0.44419%0.194SC..THydrogen-bonded Turntrans-62.5-15.8179.758.9171-13.500115.2I143 T175 L178I143-Q224 HydrophobicContact CD1-CG 3.84Å; I143-Q224 VanDerWaalsContact CD1-NE2 3.29Å; T175-Q224 HydrophobicContact CG2-CG 3.97Å; T175-Q224 PolarHBondContact OG1-NE2 3.03Å; L178-Q224 HydrophobicContact CD1-CB 4.38Å
225C93.2Very high94.1Very high13 Ų1340.6 Ų40.69%0.08822%0.221CC..THydrogen-bonded Turntrans-83.7-15.9171.5-69.70000113.3I143 E144 R145 N223I143-C225 WeakPolarHBondContact CD1-SG 3.15Å; I143-C225 WeakPolarHBondContact CG1-SG 3.34Å; E144-C225 VanDerWaalsContact C-SG 3.6Å; E144-C225 WeakPolarHBondContact O-CB 3.47Å; E144-C225 PolarHBondContact O-SG 2.95Å; E144-C225 VanDerWaalsContact O-SG 3.39Å; R145-C225 HydrophobicContact CG-CB 3.92Å; N223-C225 PolarHBondContact O-N 2.73Å; N223-C225 VanDerWaalsContact O-N 3.11Å; N223-C225 WeakPolarHBondContact OD1-CA 3.14Å; N223-C225 VanDerWaalsContact OD1-CB 3.23Å; N223-C225 WeakPolarHBondContact OD1-CB 3.38Å; N223-C225 PolarHBondContact OD1-N 3Å
226G93.8Very high93.7Very high21 Ų2144.8 Ų44.822%0.21624%0.243CC..EExtended strand (participates in β ladder)trans120.5-158.1-179.900000113.1P146 N223P146-G226 WeakPolarHBondContact CD-O 3.49Å; N223-G226 PolarHBondContact N-O 3.39Å; N223-G226 WeakPolarHBondContact O-CA 3.33Å; N223-G226 PolarHBondContact O-N 3.25Å; N223-G226 PolarHBondContact OD1-N 3Å; N223-G226 PolarHBondContact OD1-O 2.92Å
227L95.6Very high93.5Very high61 Ų6147.2 Ų47.232%0.31925%0.254SS..EExtended strand (participates in β ladder)trans-74.8153-179.6-59.2179.8000112.1R145 F220 A221 E222R145-L227 VanDerWaalsContact CD-O 3.23Å; R145-L227 WeakPolarHBondContact CD-O 3.42Å; R145-L227 WeakPolarHBondContact CG-O 3.48Å; F220-L227 HydrophobicContact CB-CB 4.19Å; F220-L227 HydrophobicContact CB-CD1 4.43Å; F220-L227 HydrophobicContact CB-CD2 4.02Å; F220-L227 HydrophobicContact CB-CG 4.44Å; F220-L227 HydrophobicContact CD1-CB 4.18Å; F220-L227 HydrophobicContact CD1-CD1 4.47Å; F220-L227 HydrophobicContact CG-CB 4.45Å; F220-L227 HydrophobicContact CG-CD1 4.33Å; A221-L227 CarbonylContact O-C 3.58Å; A221-L227 VanDerWaalsContact O-CA 3.3Å; A221-L227 WeakPolarHBondContact O-CA 3.32Å; E222-L227 HydrophobicContact CB-CD2 3.89Å; E222-L227 HydrophobicContact CG-CD2 3.96Å
228S96.6Very high93.1Very high4 Ų447.2 Ų47.23%0.02825%0.254CS..  trans-54.8143.6168.559.10000111P146 G147 F220 A221 T230P146-S228 WeakPolarHBondContact O-CA 3.39Å; P146-S228 WeakPolarHBondContact O-CB 3.49Å; G147-S228 WeakPolarHBondContact O-CB 3.45Å; F220-S228 WeakPolarHBondContact CD1-O 3.3Å; A221-S228 PolarHBondContact N-OG 3.04Å; A221-S228 PolarHBondContact O-N 3.48Å; S228-T230 VanDerWaalsContact C-N 3.27Å; S228-T230 WeakPolarHBondContact CB-O 3.39Å; S228-T230 PolarHBondContact O-N 2.93Å; S228-T230 PolarHBondContact OG-O 3.21Å
229E90.8Very high92.8Very high172 Ų17248.5 Ų48.580%0.80426%0.263SS*.SBendtrans-63.9-37.3-178.1-177173.3-164.400111.9
230T91.4Very high92.4Very high77 Ų7748.6 Ų48.647%0.47226%0.263SS..  trans-112.1153.8174.861.10000110.2P148 S228P148-T230 WeakPolarHBondContact CB-OG1 3.38Å; P148-T230 WeakPolarHBondContact CG-OG1 3.34Å; S228-T230 VanDerWaalsContact C-N 3.27Å; S228-T230 WeakPolarHBondContact CB-O 3.39Å; S228-T230 PolarHBondContact O-N 2.93Å; S228-T230 PolarHBondContact OG-O 3.21Å
231A91.4Very high91.3Very high21 Ų2155.1 Ų55.117%0.17429%0.294CS..  trans-126.7120.9170.200000108.7R218 V219 F220 I233R218-A231 HydrophobicContact CB-CB 3.99Å; R218-A231 HydrophobicContact CG-CB 4.07Å; V219-A231 WeakPolarHBondContact O-CB 3.42Å; F220-A231 HydrophobicContact CD1-CB 3.63Å; F220-A231 HydrophobicContact CD2-CB 3.81Å; F220-A231 HydrophobicContact CE1-CB 3.43Å; F220-A231 VanDerWaalsContact CE1-CB 3.43Å; F220-A231 HydrophobicContact CE2-CB 3.61Å; F220-A231 HydrophobicContact CG-CB 3.81Å; F220-A231 HydrophobicContact CZ-CB 3.41Å; F220-A231 VanDerWaalsContact CZ-CB 3.41Å; A231-I233 PolarHBondContact O-N 2.92Å
232P91.7Very high89.7Confident34 Ų3463.3 Ų63.322%0.22133%0.33CS..PPolyproline II helixtrans-62.3137.8172.832.8-41000109P149 I152 R218 V219P149-P232 HydrophobicContact CB-CG 4.28Å; P149-P232 WeakPolarHBondContact O-CG 3.21Å; I152-P232 HydrophobicContact CB-CG 4.35Å; I152-P232 HydrophobicContact CG2-CB 3.71Å; I152-P232 HydrophobicContact CG2-CG 4.03Å; R218-P232 VanDerWaalsContact CA-O 3.26Å; R218-P232 WeakPolarHBondContact CA-O 3.24Å; R218-P232 WeakPolarHBondContact CB-O 3.26Å; V219-P232 PolarHBondContact N-O 2.77Å; V219-P232 WeakPolarHBondContact O-CD 3.42Å
233I93.4Very high87.7Confident87 Ų8764.4 Ų64.445%0.44634%0.343SS..BIsolated β-bridgetrans-99.5144.3175.6-59.2169.9000107.7W192 A216 F217 R218 A231 T235W192-I233 HydrophobicContact CH2-CD1 4.31Å; W192-I233 HydrophobicContact CH2-CG1 4.11Å; W192-I233 HydrophobicContact CH2-CG2 4.05Å; W192-I233 HydrophobicContact CZ2-CD1 3.93Å; W192-I233 HydrophobicContact CZ2-CG1 4.21Å; A216-I233 HydrophobicContact CB-CG2 4.08Å; F217-I233 CarbonylContact O-C 3.56Å; F217-I233 VanDerWaalsContact O-CA 3.24Å; F217-I233 WeakPolarHBondContact O-CA 3.45Å; R218-I233 HydrophobicContact CB-CG1 3.94Å; A231-I233 PolarHBondContact O-N 2.92Å; I233-T235 PolarHBondContact O-N 2.89Å
234T90.1Very high85.3Confident8 Ų866.6 Ų66.65%0.04936%0.362CS..PPolyproline II helixtrans-55.5131.7172.450.70000110.8I152 L164 F217 D236I152-T234 HydrophobicContact CD1-CG2 3.72Å; I152-T234 HydrophobicContact CG1-CG2 3.84Å; L164-T234 HydrophobicContact CD2-CG2 3.83Å; F217-T234 HydrophobicContact CB-CG2 3.91Å; F217-T234 HydrophobicContact CD2-CG2 4.2Å; F217-T234 PolarHBondContact N-OG1 2.73Å; F217-T234 VanDerWaalsContact N-OG1 3.15Å; F217-T234 PolarHBondContact O-N 3.31Å; T234-D236 VanDerWaalsContact C-N 3.33Å; T234-D236 WeakPolarHBondContact CB-O 3.44Å; T234-D236 PolarHBondContact OG1-O 3.18Å; T234-D236 VanDerWaalsContact OG1-O 3.13Å
235T87.3Confident83Confident120 Ų12067.7 Ų67.774%0.73638%0.375SS*.SBendtrans-63.8-42.6173.845.20000111.3I233I233-T235 PolarHBondContact O-N 2.89Å
236D87.3Confident80.8Confident98 Ų9872.1 Ų72.152%0.52440%0.401SS..SBendtrans-91.6142.4178.7-56.4-61.8000111L154 T234L154-D236 HydrophobicContact CB-CB 4.44Å; L154-D236 HydrophobicContact CD2-CB 4.27Å; T234-D236 VanDerWaalsContact C-N 3.33Å; T234-D236 WeakPolarHBondContact CB-O 3.44Å; T234-D236 PolarHBondContact OG1-O 3.18Å; T234-D236 VanDerWaalsContact OG1-O 3.13Å
237L91.3Very high78.4Confident65 Ų6578.9 Ų78.934%0.3442%0.421SS..  trans-88.8135.8173.7-64.4174.2000109.9T187 Y215 A216 H239T187-L237 HydrophobicContact CG2-CD1 4Å; T187-L237 HydrophobicContact CG2-CD2 3.92Å; Y215-L237 WeakPolarHBondContact O-CA 3.35Å; A216-L237 HydrophobicContact CB-CD2 3.83Å; L237-H239 PolarHBondContact O-CD2 3.37Å; L237-H239 VanDerWaalsContact O-CD2 3.31Å; L237-H239 PolarHBondContact O-N 2.71Å; L237-H239 VanDerWaalsContact O-N 3.1Å
238A88.1Confident75.7Confident0 Ų084.4 Ų84.40%044%0.443CS..EExtended strand (participates in β ladder)trans-78.298.317100000110.2L154 V157 A162 S214 Y215 F217 I240L154-A238 HydrophobicContact CD1-CB 4.07Å; L154-A238 HydrophobicContact CD2-CB 3.85Å; V157-A238 HydrophobicContact CG2-CB 3.81Å; A162-A238 HydrophobicContact CB-CB 4.1Å; S214-A238 VanDerWaalsContact CA-O 3.3Å; S214-A238 WeakPolarHBondContact CA-O 3.27Å; Y215-A238 PolarHBondContact N-O 3.35Å; Y215-A238 PolarHBondContact O-N 2.96Å; F217-A238 HydrophobicContact CE2-CB 3.58Å; F217-A238 HydrophobicContact CZ-CB 4.09Å; A238-I240 HydrophobicContact CB-CD1 4.3Å
239H89.4Confident73.5Confident91 Ų9189.7 Ų89.742%0.42147%0.469SS..EExtended strand (participates in β ladder)trans-83.2112175.7-59.9-68.2000111.1S214 L237 Q241S214-H239 WeakPolarHBondContact CB-ND1 3.47Å; S214-H239 PolarHBondContact OG-ND1 2.82Å; L237-H239 PolarHBondContact O-CD2 3.37Å; L237-H239 VanDerWaalsContact O-CD2 3.31Å; L237-H239 PolarHBondContact O-N 2.71Å; L237-H239 VanDerWaalsContact O-N 3.1Å; H239-Q241 HydrophobicContact CB-CG 4.11Å; H239-Q241 PolarHBondContact O-N 2.97Å
240I87.9Confident71Confident3 Ų391.5 Ų91.52%0.01548%0.475CS..  trans-93.184.4-176.9-46.9-53.9000109.1V157 G159 L209 I210 I211 G212 N213 Y215 A238V157-I240 HydrophobicContact CG1-CD1 3.54Å; G159-I240 VanDerWaalsContact O-CG2 3.26Å; G159-I240 WeakPolarHBondContact O-CG2 3.48Å; L209-I240 HydrophobicContact CB-CD1 4.08Å; L209-I240 HydrophobicContact CB-CG1 3.89Å; L209-I240 HydrophobicContact CD1-CD1 3.69Å; L209-I240 HydrophobicContact CD1-CG1 4.33Å; I210-I240 WeakPolarHBondContact O-CB 3.48Å; I211-I240 CarbonylContact C-O 3.5Å; I211-I240 WeakPolarHBondContact CA-O 3.38Å; I211-I240 HydrophobicContact CB-CG2 4.38Å; I211-I240 HydrophobicContact CG1-CG2 3.96Å; G212-I240 PolarHBondContact N-O 3.23Å; N213-I240 PolarHBondContact O-N 2.9Å; Y215-I240 HydrophobicContact CD2-CG1 4.04Å; Y215-I240 HydrophobicContact CE2-CG1 4.16Å; A238-I240 HydrophobicContact CB-CD1 4.3Å
241Q75.1Confident69.2Low160 Ų16091.7 Ų91.775%0.74849%0.492SS*.  trans-91.1-24.3-165.7-66-178-19.200115.4H239H239-Q241 HydrophobicContact CB-CG 4.11Å; H239-Q241 PolarHBondContact O-N 2.97Å
242K63.3Low66.9Low173 Ų17398.9 Ų98.975%0.75252%0.519SS*.SBendtrans-164.7145.1174.4-105.4162.6-172.4179.20109.9A244K242-A244 PolarHBondContact O-N 3.26Å; K242-A244 VanDerWaalsContact O-N 3.16Å
243A54.6Low64.9Low48 Ų48102 Ų10240%0.39755%0.548SS..SBendtrans-50.5124.7167.900000107.3F160 I211 T245F160-A243 HydrophobicContact CZ-CB 4.13Å; I211-A243 HydrophobicContact CD1-CB 3.81Å; A243-T245 PolarHBondContact O-N 2.93Å
244A44.8Very low62.9Low48 Ų48106 Ų10640%0.39756%0.564SS.*  trans-46.7118.3-173.900000108.9K242 V246K242-A244 PolarHBondContact O-N 3.26Å; K242-A244 VanDerWaalsContact O-N 3.16Å; A244-V246 VanDerWaalsContact C-N 3.35Å; A244-V246 PolarHBondContact O-N 2.96Å
245T46.6Very low61.2Low117 Ų117115.2 Ų115.272%0.71860%0.598SS**  trans-54.3111.7159.3-51.20000104.5A243 Y247A243-T245 PolarHBondContact O-N 2.93Å; T245-Y247 PolarHBondContact O-N 2.79Å; T245-Y247 VanDerWaalsContact O-N 3.16Å
246V46.2Very low60.3Low107 Ų107115.3 Ų115.365%0.64860%0.595SS**  trans-27.7121.1169.8175.90000108.8A244 K248A244-V246 VanDerWaalsContact C-N 3.35Å; A244-V246 PolarHBondContact O-N 2.96Å; V246-K248 VanDerWaalsContact C-N 3.33Å; V246-K248 PolarHBondContact O-N 2.88Å
247Y42.7Very low59.4Low162 Ų162117.8 Ų117.864%0.63560%0.601SS**  trans-51.499.7177.6-69.2-91.7000108.4T245 I249T245-Y247 PolarHBondContact O-N 2.79Å; T245-Y247 VanDerWaalsContact O-N 3.16Å; Y247-I249 PolarHBondContact O-N 3.05Å
248K39.1Very low59.1Low177 Ų177116.6 Ų116.677%0.7760%0.598SS**  trans-77.482175.4-77.6-173.3178.6-179.20107.1V246 K250V246-K248 VanDerWaalsContact C-N 3.33Å; V246-K248 PolarHBondContact O-N 2.88Å; K248-K250 PolarHBondContact O-N 2.9Å; K248-K250 VanDerWaalsContact O-N 3.15Å
249I50.9Low59Low115 Ų115119.2 Ų119.259%0.5961%0.611SS**  trans-65.1110.2163.6-56.1176.5000106.1Y247 G251 F252Y247-I249 PolarHBondContact O-N 3.05Å; I249-G251 PolarHBondContact O-N 3.32Å; I249-G251 VanDerWaalsContact O-N 3.1Å; I249-F252 HydrophobicContact CG2-CD2 4.28Å; I249-F252 PolarHBondContact O-N 3.34Å
250K38.8Very low59.2Low211 Ų211116.9 Ų116.992%0.91761%0.607SS**THydrogen-bonded Turntrans-57.5116.6175-78.3-177.6175.1179.10108.6K248K248-K250 PolarHBondContact O-N 2.9Å; K248-K250 VanDerWaalsContact O-N 3.15Å
251G52.8Low59.7Low80 Ų80117.1 Ų117.183%0.82561%0.609SS**THydrogen-bonded Turntrans117.3-15-179.600000115.3I249I249-G251 PolarHBondContact O-N 3.32Å; I249-G251 VanDerWaalsContact O-N 3.1Å
252F44.4Very low60.7Low173 Ų173116.2 Ų116.276%0.75960%0.602SS**  trans-9793.3168.4-91.5-95.1000109.6I249 Q254I249-F252 HydrophobicContact CG2-CD2 4.28Å; I249-F252 PolarHBondContact O-N 3.34Å; F252-Q254 PolarHBondContact O-N 2.79Å
253A49.3Very low62.3Low99 Ų99109.3 Ų109.382%0.81857%0.572SS**  trans-60.6119.1164.400000108.7R255A253-R255 PolarHBondContact O-N 2.86Å
254Q51.7Low64.2Low170 Ų170111.3 Ų111.379%0.79458%0.58SS**  trans-32.8112.9-179.7-82.4163.2-44.500114.2F252F252-Q254 PolarHBondContact O-N 2.79Å
255R53.5Low66.6Low202 Ų202113 Ų11376%0.76258%0.579SS**  trans-84.4113.9137.2-72.7-169.7-166.2-179.65.2106A253 F257A253-R255 PolarHBondContact O-N 2.86Å; R255-F257 HydrophobicContact CB-CD2 4.41Å; R255-F257 HydrophobicContact CB-CE1 4Å; R255-F257 HydrophobicContact CB-CE2 3.89Å; R255-F257 HydrophobicContact CB-CZ 3.67Å; R255-F257 WeakPolarHBondContact O-CD2 3.17Å; R255-F257 WeakPolarHBondContact O-CE2 3.2Å; R255-F257 PolarHBondContact O-N 3.41Å; R255-F257 VanDerWaalsContact O-N 3.12Å
256D67.8Low68.9Low123 Ų123111.3 Ų111.366%0.65857%0.571SS**  trans-65.3108.2166.9-171.1-5.3000107.5S258D256-S258 VanDerWaalsContact C-N 3.26Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.41Å; D256-S258 PolarHBondContact OD1-OG 2.88Å; D256-S258 PolarHBondContact OD2-OG 3.07Å
257F69.3Low71.3Confident149 Ų149106.9 Ų106.965%0.65454%0.543SS*.  trans-91.710.4175.8-62-75.4000111.6R255 S287R255-F257 HydrophobicContact CB-CD2 4.41Å; R255-F257 HydrophobicContact CB-CE1 4Å; R255-F257 HydrophobicContact CB-CE2 3.89Å; R255-F257 HydrophobicContact CB-CZ 3.67Å; R255-F257 WeakPolarHBondContact O-CD2 3.17Å; R255-F257 WeakPolarHBondContact O-CE2 3.2Å; R255-F257 PolarHBondContact O-N 3.41Å; R255-F257 VanDerWaalsContact O-N 3.12Å; F257-S287 WeakPolarHBondContact O-CB 3.43Å
258S84.5Confident73.8Confident41 Ų41102.7 Ų102.729%0.28754%0.542SS..  trans-71.3133.7172.477.30000109.4D256 S287 L339D256-S258 VanDerWaalsContact C-N 3.26Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.41Å; D256-S258 PolarHBondContact OD1-OG 2.88Å; D256-S258 PolarHBondContact OD2-OG 3.07Å; S258-S287 CarbonylContact C-O 3.56Å; S258-S287 VanDerWaalsContact CA-O 3.23Å; S258-S287 WeakPolarHBondContact CA-O 3.29Å; S258-S287 WeakPolarHBondContact CB-O 3.21Å; S258-L339 WeakPolarHBondContact OG-CD1 3.4Å
259E87.1Confident76.6Confident55 Ų5599.9 Ų99.926%0.25754%0.535SS..EExtended strand (participates in β ladder)trans-144.6137.1-176.967.3-172.7127.300109.6R285 S287 N337E259-R285 WeakPolarHBondContact OE1-CG 3.3Å; E259-R285 IonicContact OE1-CZ 3.44Å; E259-R285 IonicContact OE1-NE 2.71Å; E259-R285 PolarHBondContact OE1-NE 2.74Å; E259-R285 IonicContact OE1-NH2 3.33Å; E259-R285 PolarHBondContact OE1-NH2 2.72Å; E259-R285 IonicContact OE2-CZ 3.87Å; E259-R285 IonicContact OE2-NE 3.23Å; E259-R285 PolarHBondContact OE2-NE 2.89Å; E259-S287 PolarHBondContact N-O 2.96Å; E259-S287 PolarHBondContact O-N 3.16Å; E259-N337 PolarHBondContact O-ND2 2.97Å
260A93.4Very high78.7Confident42 Ų4296.1 Ų96.135%0.34752%0.519SS..EExtended strand (participates in β ladder)trans-60.5155.2170.400000110.1K262 L339A260-K262 PolarHBondContact O-N 3.34Å; A260-L339 HydrophobicContact CB-CB 4.04Å
261P97.1Very high81.3Confident8 Ų889.9 Ų89.95%0.05250%0.499CS..EExtended strand (participates in β ladder)trans-61.1131.5-175-20.234.9000111.1V284 A286 P290 A335 N337 G340 A342P261-V284 HydrophobicContact CB-CG2 4.02Å; P261-A286 HydrophobicContact CB-CB 3.92Å; P261-A286 HydrophobicContact CG-CB 4.04Å; P261-P290 HydrophobicContact CB-CB 4.44Å; P261-P290 HydrophobicContact CG-CB 4.08Å; P261-A335 HydrophobicContact CB-CB 3.68Å; P261-A335 HydrophobicContact CG-CB 4.28Å; P261-N337 WeakPolarHBondContact CD-OD1 3.04Å; P261-N337 HydrophobicContact CG-CB 4.11Å; P261-G340 VanDerWaalsContact CD-O 3.28Å; P261-G340 WeakPolarHBondContact CD-O 3.33Å; P261-A342 HydrophobicContact CB-CB 4.34Å; P261-A342 WeakPolarHBondContact O-CB 3.4Å
262K96.5Very high83.2Confident140 Ų14086.8 Ų86.861%0.60946%0.464SS*.EExtended strand (participates in β ladder)trans-133.9123.9175.9-175.9176.7-179.1177.90109.7A260 T264 V284 R285A260-K262 PolarHBondContact O-N 3.34Å; K262-T264 PolarHBondContact O-N 2.86Å; K262-V284 WeakPolarHBondContact O-CA 3.36Å; K262-R285 PolarHBondContact N-O 3.01Å; K262-R285 PolarHBondContact O-N 3.49Å
263F97Very high85.5Confident28 Ų2881.4 Ų81.412%0.12345%0.445CS..EExtended strand (participates in β ladder)trans-73.1119.1173.4-71.6-86.2000109.8C282 C283 V284 C333 A335 A342 V344F263-C282 HydrophobicContact CD1-CB 4.05Å; F263-C282 HydrophobicContact CE1-CB 4.21Å; F263-C282 VanDerWaalsContact CE1-SG 3.59Å; F263-C283 CarbonylContact C-O 3.45Å; F263-C283 VanDerWaalsContact CA-O 3.24Å; F263-C283 WeakPolarHBondContact CA-O 3.4Å; F263-V284 HydrophobicContact CD1-CB 4.01Å; F263-V284 HydrophobicContact CD1-CG2 4.46Å; F263-V284 HydrophobicContact CE1-CB 3.93Å; F263-V284 HydrophobicContact CE1-CG2 4.37Å; F263-V284 HydrophobicContact CZ-CB 4.46Å; F263-V284 HydrophobicContact CZ-CG2 4.46Å; F263-C333 HydrophobicContact CE1-CB 4.36Å; F263-C333 HydrophobicContact CZ-CB 4.28Å; F263-C333 WeakPolarHBondContact CZ-O 3.28Å; F263-A335 HydrophobicContact CE2-CB 4.16Å; F263-A335 HydrophobicContact CZ-CB 3.95Å; F263-A342 HydrophobicContact CD2-CB 4.06Å; F263-A342 HydrophobicContact CE2-CB 4.06Å; F263-V344 HydrophobicContact CB-CG1 3.64Å; F263-V344 HydrophobicContact CD1-CG1 4.18Å; F263-V344 HydrophobicContact CD1-CG2 3.6Å; F263-V344 HydrophobicContact CD2-CB 4.34Å; F263-V344 HydrophobicContact CD2-CG1 3.58Å; F263-V344 HydrophobicContact CD2-CG2 4.03Å; F263-V344 HydrophobicContact CE1-CG2 3.62Å; F263-V344 HydrophobicContact CE2-CG1 4.27Å; F263-V344 HydrophobicContact CE2-CG2 4.03Å; F263-V344 HydrophobicContact CG-CB 4.3Å; F263-V344 HydrophobicContact CG-CG1 3.51Å; F263-V344 HydrophobicContact CG-CG2 3.8Å; F263-V344 HydrophobicContact CZ-CG2 3.84Å
264T95.1Very high87.5Confident91 Ų9178.6 Ų78.656%0.55842%0.417SS*.EExtended strand (participates in β ladder)trans-88-23.9173.952.20000111.4K262 C283 R285K262-T264 PolarHBondContact O-N 2.86Å; T264-C283 PolarHBondContact N-O 2.91Å; T264-C283 WeakPolarHBondContact OG1-CB 3.4Å; T264-C283 PolarHBondContact OG1-O 2.85Å; T264-R285 HydrophobicContact CG2-CB 3.78Å
265Q94.4Very high89.2Confident83 Ų8372.4 Ų72.439%0.38840%0.4SS..EExtended strand (participates in β ladder)trans-134.6111.1169.7-173.6171.56.900108.4F281 C282 C283Q265-F281 VanDerWaalsContact NE2-CE2 3.31Å; Q265-C282 CarbonylContact O-C 3.44Å; Q265-C282 VanDerWaalsContact O-CA 3.32Å; Q265-C282 WeakPolarHBondContact O-CA 3.23Å; Q265-C282 WeakPolarHBondContact O-CB 3.24Å; Q265-C283 HydrophobicContact CB-CB 3.7Å; Q265-C283 PolarHBondContact N-O 2.89Å; Q265-C283 PolarHBondContact O-N 2.85Å; Q265-C283 PolarHBondContact OE1-SG 3.2Å; Q265-C283 VanDerWaalsContact OE1-SG 3.35Å
266P95.9Very high90.9Very high82 Ų8270.6 Ų70.653%0.53239%0.394SS..  trans-72.3168177.832-34.9000111V344P266-V344 HydrophobicContact CB-CB 4.39Å; P266-V344 HydrophobicContact CB-CG1 3.96Å
267L96.3Very high92.1Very high14 Ų1468.8 Ų68.87%0.07338%0.384CS..  trans-65.7148.2169.5-65.3167.5000110.1L280 F281 C282 W294 C333 V344 C346L267-L280 HydrophobicContact CD2-CB 4.11Å; L267-F281 WeakPolarHBondContact CD2-O 3.25Å; L267-C282 HydrophobicContact CD2-CB 3.81Å; L267-C282 HydrophobicContact CG-CB 3.99Å; L267-W294 HydrophobicContact CD1-CH2 4.39Å; L267-W294 HydrophobicContact CD1-CZ3 3.96Å; L267-W294 HydrophobicContact CD2-CH2 3.74Å; L267-W294 HydrophobicContact CD2-CZ3 4.06Å; L267-C333 HydrophobicContact CD1-CB 4.03Å; L267-V344 HydrophobicContact CD1-CG2 4.05Å; L267-V344 WeakPolarHBondContact CD1-O 3.31Å; L267-V344 HydrophobicContact CG-CG2 3.87Å; L267-C346 HydrophobicContact CB-CB 3.54Å; L267-C346 HydrophobicContact CD1-CB 4.49Å
268A95.6Very high93.2Very high74 Ų7462.3 Ų62.361%0.61236%0.357SS*.  trans-107.2139.9172.500000109.8C346A268-C346 WeakPolarHBondContact O-CB 3.24Å
269D97.4Very high93.7Very high117 Ų11766.5 Ų66.563%0.62637%0.372SS*.  trans-59.7139.6169.8-69-6.9000109.6C346 R347D269-C346 VanDerWaalsContact OD1-CA 3.31Å; D269-C346 WeakPolarHBondContact OD1-CA 3.37Å; D269-C346 WeakPolarHBondContact OD1-CB 2.97Å; D269-R347 VanDerWaalsContact CA-O 3.31Å; D269-R347 WeakPolarHBondContact CA-O 3.49Å; D269-R347 HydrophobicContact CB-CB 4.47Å; D269-R347 PolarHBondContact OD1-N 2.63Å
270C94.1Very high94.1Very high37 Ų3764.1 Ų64.125%0.2536%0.361CS..EExtended strand (participates in β ladder)trans-143.6150.3-179.475.20000112.5R347 V348 D349C270-R347 PolarHBondContact N-O 2.89Å; C270-V348 WeakPolarHBondContact O-CA 3.37Å; C270-D349 PolarHBondContact O-N 3.33Å
271T94.6Very high94.2Very high80 Ų8067.1 Ų67.149%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-103.6133.9166.9-58.20000109.3D349 K351T271-D349 CarbonylContact C-O 3.52Å; T271-D349 VanDerWaalsContact CA-O 3.27Å; T271-D349 WeakPolarHBondContact CA-O 3.07Å; T271-K351 HydrophobicContact CG2-CB 4.5Å; T271-K351 HydrophobicContact CG2-CD 3.53Å; T271-K351 HydrophobicContact CG2-CG 3.64Å
272T92Very high94.1Very high15 Ų1566.8 Ų66.89%0.09236%0.364CS..EExtended strand (participates in β ladder)trans-122.3166.6174.7-171.10000112.2T278 P323 V348 D349 V350 K351T272-T278 WeakPolarHBondContact CB-OG1 3.26Å; T272-T278 HydrophobicContact CG2-CG2 4.32Å; T272-T278 PolarHBondContact OG1-OG1 3.26Å; T272-P323 HydrophobicContact CG2-CB 4.25Å; T272-P323 HydrophobicContact CG2-CG 3.92Å; T272-V348 HydrophobicContact CG2-CG1 4.05Å; T272-D349 PolarHBondContact N-O 2.71Å; T272-V350 HydrophobicContact CG2-CB 4.34Å; T272-V350 HydrophobicContact CG2-CG1 4.34Å; T272-V350 HydrophobicContact CG2-CG2 3.8Å; T272-V350 CarbonylContact O-C 3.6Å; T272-V350 WeakPolarHBondContact O-CA 3.43Å; T272-K351 PolarHBondContact O-N 3.18Å
273V92.5Very high94.1Very high59 Ų5961.3 Ų61.336%0.35834%0.343SS..EExtended strand (participates in β ladder)trans-108.9139.1179.2-177.70000109.5G275 Y276 K351 P353V273-G275 PolarHBondContact O-N 3.24Å; V273-Y276 HydrophobicContact CB-CD2 3.97Å; V273-Y276 HydrophobicContact CG1-CD2 3.87Å; V273-Y276 HydrophobicContact CG1-CE2 4.09Å; V273-Y276 PolarHBondContact O-N 3.11Å; V273-K351 WeakPolarHBondContact CA-O 3.14Å; V273-P353 HydrophobicContact CG1-CG 3.71Å
274T91.9Very high94Very high40 Ų4060.4 Ų60.425%0.24534%0.34CS..THydrogen-bonded Turntrans-52.4131.4178.5-61.90000111.2Y276 P323 K351T274-Y276 PolarHBondContact O-N 2.55Å; T274-P323 CarbonylContact C-O 3.59Å; T274-P323 VanDerWaalsContact CA-O 3.25Å; T274-P323 WeakPolarHBondContact CA-O 3.15Å; T274-K351 PolarHBondContact N-O 3.3Å; T274-K351 PolarHBondContact OG1-O 3.39Å
275G88Confident93.8Very high41 Ų4163.1 Ų63.142%0.42334%0.34SS..THydrogen-bonded Turntrans88.4-13.7176.700000116.1V273 P323V273-G275 PolarHBondContact O-N 3.24Å; G275-P323 PolarHBondContact N-O 2.84Å
276Y88.1Confident93.5Very high164 Ų16460.2 Ų60.264%0.64333%0.331SS*.SBendtrans-101.5126.5179.3-63.9-86.6000111.6V273 T274 T278 P323V273-Y276 HydrophobicContact CB-CD2 3.97Å; V273-Y276 HydrophobicContact CG1-CD2 3.87Å; V273-Y276 HydrophobicContact CG1-CE2 4.09Å; V273-Y276 PolarHBondContact O-N 3.11Å; T274-Y276 PolarHBondContact O-N 2.55Å; Y276-T278 PolarHBondContact O-N 3.03Å; Y276-T278 PolarHBondContact O-OG1 2.99Å; Y276-P323 WeakPolarHBondContact O-CD 3.43Å; Y276-P323 VanDerWaalsContact O-CG 3.26Å; Y276-P323 WeakPolarHBondContact O-CG 3.37Å
277N92.4Very high92.9Very high84 Ų8458.6 Ų58.645%0.44932%0.321SS..  trans-54.8137.6179.7-73.17.8000111.1E319 I320 R321 K322N277-E319 HydrophobicContact CB-CG 4.42Å; N277-E319 PolarHBondContact ND2-OE1 2.89Å; N277-I320 WeakPolarHBondContact CA-O 3.31Å; N277-R321 WeakPolarHBondContact OD1-CA 3.09Å; N277-K322 PolarHBondContact OD1-N 2.89Å
278T92.6Very high92.4Very high14 Ų1461 Ų619%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-121138.9-178.2-50.80000109.4T272 Y276 E319 I320T272-T278 WeakPolarHBondContact CB-OG1 3.26Å; T272-T278 HydrophobicContact CG2-CG2 4.32Å; T272-T278 PolarHBondContact OG1-OG1 3.26Å; Y276-T278 PolarHBondContact O-N 3.03Å; Y276-T278 PolarHBondContact O-OG1 2.99Å; T278-E319 CarbonylContact O-C 3.48Å; T278-E319 WeakPolarHBondContact O-CA 3.35Å; T278-I320 PolarHBondContact N-O 2.57Å; T278-I320 PolarHBondContact O-N 2.71Å
279Q95.3Very high91.7Very high128 Ų12862.8 Ų62.860%0.59833%0.328SS*.EExtended strand (participates in β ladder)trans-118.2126.4179-167.8169.818.800110.6L318Q279-L318 WeakPolarHBondContact CA-O 3.41Å
280L96.3Very high91.3Very high6 Ų658.3 Ų58.33%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-100.3145.1167.5-49.1-178.6000108.4L267 W294 S317 L318 I320 Y331 V348L267-L280 HydrophobicContact CD2-CB 4.11Å; L280-W294 HydrophobicContact CB-CH2 4.29Å; L280-W294 HydrophobicContact CB-CZ3 4.48Å; L280-W294 HydrophobicContact CD1-CZ3 4.46Å; L280-S317 CarbonylContact O-C 3.57Å; L280-S317 VanDerWaalsContact O-CA 3.24Å; L280-S317 WeakPolarHBondContact O-CA 3.4Å; L280-L318 HydrophobicContact CB-CB 4.37Å; L280-L318 HydrophobicContact CD1-CD2 4.27Å; L280-L318 PolarHBondContact N-O 2.74Å; L280-L318 PolarHBondContact O-N 2.99Å; L280-I320 HydrophobicContact CD1-CD1 4.27Å; L280-I320 HydrophobicContact CG-CD1 4.42Å; L280-Y331 HydrophobicContact CD1-CD1 4.03Å; L280-Y331 HydrophobicContact CD1-CD2 4.31Å; L280-Y331 HydrophobicContact CD1-CG 3.73Å; L280-V348 HydrophobicContact CD1-CG2 3.99Å; L280-V348 HydrophobicContact CD2-CG2 3.84Å
281F95.8Very high91.2Very high105 Ų10563 Ų6346%0.46132%0.322SS..EExtended strand (participates in β ladder)trans-149.2149.6174.475.3-83.7000112.3Q265 L267 C316Q265-F281 VanDerWaalsContact NE2-CE2 3.31Å; L267-F281 WeakPolarHBondContact CD2-O 3.25Å; F281-C316 CarbonylContact C-O 3.58Å; F281-C316 VanDerWaalsContact CA-O 3.25Å; F281-C316 WeakPolarHBondContact CA-O 3.17Å
282C95.3Very high91.2Very high0 Ų060.3 Ų60.30%030%0.304CS..EExtended strand (participates in β ladder)trans-147.4160.3174.654.80000109.4F263 Q265 L267 C316 V344F263-C282 HydrophobicContact CD1-CB 4.05Å; F263-C282 HydrophobicContact CE1-CB 4.21Å; F263-C282 VanDerWaalsContact CE1-SG 3.59Å; Q265-C282 CarbonylContact O-C 3.44Å; Q265-C282 VanDerWaalsContact O-CA 3.32Å; Q265-C282 WeakPolarHBondContact O-CA 3.23Å; Q265-C282 WeakPolarHBondContact O-CB 3.24Å; L267-C282 HydrophobicContact CD2-CB 3.81Å; L267-C282 HydrophobicContact CG-CB 3.99Å; C282-C316 PolarHBondContact N-O 2.78Å; C282-C316 PolarHBondContact O-N 2.89Å; C282-V344 HydrophobicContact CB-CG2 4.22Å
283C94.6Very high91.4Very high25 Ų2561.1 Ų61.117%0.16931%0.307CS..EExtended strand (participates in β ladder)trans-115.6129.9177.9-62.10000109.7F263 T264 Q265 G314F263-C283 CarbonylContact C-O 3.45Å; F263-C283 VanDerWaalsContact CA-O 3.24Å; F263-C283 WeakPolarHBondContact CA-O 3.4Å; T264-C283 PolarHBondContact N-O 2.91Å; T264-C283 WeakPolarHBondContact OG1-CB 3.4Å; T264-C283 PolarHBondContact OG1-O 2.85Å; Q265-C283 HydrophobicContact CB-CB 3.7Å; Q265-C283 PolarHBondContact N-O 2.89Å; Q265-C283 PolarHBondContact O-N 2.85Å; Q265-C283 PolarHBondContact OE1-SG 3.2Å; Q265-C283 VanDerWaalsContact OE1-SG 3.35Å; C283-G314 CarbonylContact C-O 3.59Å; C283-G314 WeakPolarHBondContact CA-O 3.29Å
284V95.1Very high91.6Very high10 Ų1058.5 Ų58.56%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-119.9135.9177.568.10000110.5P261 K262 F263 P290 I292 G314 A335P261-V284 HydrophobicContact CB-CG2 4.02Å; K262-V284 WeakPolarHBondContact O-CA 3.36Å; F263-V284 HydrophobicContact CD1-CB 4.01Å; F263-V284 HydrophobicContact CD1-CG2 4.46Å; F263-V284 HydrophobicContact CE1-CB 3.93Å; F263-V284 HydrophobicContact CE1-CG2 4.37Å; F263-V284 HydrophobicContact CZ-CB 4.46Å; F263-V284 HydrophobicContact CZ-CG2 4.46Å; V284-P290 HydrophobicContact CG1-CG 4.11Å; V284-I292 HydrophobicContact CG1-CD1 4.13Å; V284-G314 PolarHBondContact N-O 2.78Å; V284-G314 WeakPolarHBondContact O-CA 3.24Å; V284-A335 HydrophobicContact CG2-CB 3.92Å
285R92.1Very high91.9Very high147 Ų14758.1 Ų58.156%0.55529%0.288SS*.EExtended strand (participates in β ladder)trans-108.3122.7169.8-175.5179.6171.1171.4-4.5108E259 K262 T264E259-R285 WeakPolarHBondContact OE1-CG 3.3Å; E259-R285 IonicContact OE1-CZ 3.44Å; E259-R285 IonicContact OE1-NE 2.71Å; E259-R285 PolarHBondContact OE1-NE 2.74Å; E259-R285 IonicContact OE1-NH2 3.33Å; E259-R285 PolarHBondContact OE1-NH2 2.72Å; E259-R285 IonicContact OE2-CZ 3.87Å; E259-R285 IonicContact OE2-NE 3.23Å; E259-R285 PolarHBondContact OE2-NE 2.89Å; K262-R285 PolarHBondContact N-O 3.01Å; K262-R285 PolarHBondContact O-N 3.49Å; T264-R285 HydrophobicContact CG2-CB 3.78Å
286A87.8Confident92.3Very high23 Ų2357.6 Ų57.619%0.1927%0.273CS..EExtended strand (participates in β ladder)trans-157.9149.3176.500000110.5P261 P288 P290P261-A286 HydrophobicContact CB-CB 3.92Å; P261-A286 HydrophobicContact CG-CB 4.04Å; A286-P288 CarbonylContact C-O 3.54Å; A286-P290 HydrophobicContact CB-CB 4.08Å; A286-P290 HydrophobicContact CB-CG 3.76Å
287S83.5Confident92.7Very high48 Ų4853.9 Ų53.934%0.33627%0.265SS..EExtended strand (participates in β ladder)trans-146.4118.1173.4-179.90000108.7F257 S258 E259 L339F257-S287 WeakPolarHBondContact O-CB 3.43Å; S258-S287 CarbonylContact C-O 3.56Å; S258-S287 VanDerWaalsContact CA-O 3.23Å; S258-S287 WeakPolarHBondContact CA-O 3.29Å; S258-S287 WeakPolarHBondContact CB-O 3.21Å; E259-S287 PolarHBondContact N-O 2.96Å; E259-S287 PolarHBondContact O-N 3.16Å; S287-L339 WeakPolarHBondContact O-CD1 3.44Å
288P84.8Confident92.8Very high63 Ų6358.7 Ų58.741%0.40928%0.282SS..SBendcis-64.3165.91.7-21.434.2000114.2A286 N337A286-P288 CarbonylContact C-O 3.54Å; P288-N337 PolarHBondContact O-ND2 3.19Å; P288-N337 VanDerWaalsContact O-ND2 3.1Å
289R82Confident93Very high113 Ų11364.6 Ų64.643%0.42631%0.31SS..PPolyproline II helixtrans-53.3130.3-179.1-167.2178.4-173.6163.6-1.1110.5D208D208-R289 IonicContact OD1-NH1 2.89Å; D208-R289 IonicContact OD2-NH1 3.23Å
290P89.4Confident92.9Very high22 Ų2263 Ų6314%0.14331%0.306CS..PPolyproline II helixtrans-85.6149.9-17433.6-30.3000111.6P261 V284 A286 I292 A335 V336 N337P261-P290 HydrophobicContact CB-CB 4.44Å; P261-P290 HydrophobicContact CG-CB 4.08Å; V284-P290 HydrophobicContact CG1-CG 4.11Å; A286-P290 HydrophobicContact CB-CB 4.08Å; A286-P290 HydrophobicContact CB-CG 3.76Å; P290-I292 HydrophobicContact CB-CD1 4.42Å; P290-I292 HydrophobicContact CG-CD1 4.04Å; P290-A335 HydrophobicContact CB-CB 4.07Å; P290-A335 HydrophobicContact CG-CB 4.38Å; P290-V336 CarbonylContact C-O 3.59Å; P290-V336 VanDerWaalsContact CA-O 3.26Å; P290-V336 WeakPolarHBondContact CA-O 3.34Å; P290-N337 HydrophobicContact CB-CB 4.28Å
291K90.2Very high92.9Very high136 Ų13663.5 Ų63.559%0.59131%0.308SS*.EExtended strand (participates in β ladder)trans-75.4127.8163-177.4179.9179.2-178.70108.8I293 A335 V336K291-I293 HydrophobicContact CG-CG1 4.46Å; K291-A335 WeakPolarHBondContact O-CA 3.44Å; K291-V336 PolarHBondContact N-O 2.86Å; K291-V336 PolarHBondContact O-N 3.37Å
292I95Very high92.4Very high24 Ų2463.2 Ų63.212%0.12331%0.308CS..EExtended strand (participates in β ladder)trans-99.1133.1178.2-53.6-55.9000110.1V284 P290 T311 C316 K334 A335V284-I292 HydrophobicContact CG1-CD1 4.13Å; P290-I292 HydrophobicContact CB-CD1 4.42Å; P290-I292 HydrophobicContact CG-CD1 4.04Å; I292-T311 HydrophobicContact CG1-CG2 3.88Å; I292-C316 HydrophobicContact CG2-CB 4.42Å; I292-K334 CarbonylContact C-O 3.44Å; I292-K334 WeakPolarHBondContact CA-O 3.5Å; I292-A335 HydrophobicContact CD1-CB 3.71Å
293I95.9Very high91.7Very high31 Ų3167.3 Ų67.316%0.15935%0.35CS..EExtended strand (participates in β ladder)trans-129.1124.9-178.1-62.9170.1000107K291 L295 K334 V336K291-I293 HydrophobicContact CG-CG1 4.46Å; I293-L295 HydrophobicContact CG2-CD1 4.17Å; I293-L295 HydrophobicContact CG2-CG 4.19Å; I293-K334 HydrophobicContact CB-CB 4.21Å; I293-K334 PolarHBondContact N-O 3.05Å; I293-K334 PolarHBondContact O-N 3.41Å; I293-V336 HydrophobicContact CD1-CG2 4.33Å
294W97.5Very high91.5Very high5 Ų569.5 Ų69.52%0.01936%0.361CS..EExtended strand (participates in β ladder)trans-103.1133.5175-7597000110.2L267 L280 I301 C316 L318 T332 C333L267-W294 HydrophobicContact CD1-CH2 4.39Å; L267-W294 HydrophobicContact CD1-CZ3 3.96Å; L267-W294 HydrophobicContact CD2-CH2 3.74Å; L267-W294 HydrophobicContact CD2-CZ3 4.06Å; L280-W294 HydrophobicContact CB-CH2 4.29Å; L280-W294 HydrophobicContact CB-CZ3 4.48Å; L280-W294 HydrophobicContact CD1-CZ3 4.46Å; W294-I301 HydrophobicContact CB-CD1 4.01Å; W294-I301 HydrophobicContact CB-CG1 3.89Å; W294-I301 VanDerWaalsContact O-CG1 3.29Å; W294-I301 WeakPolarHBondContact O-CG1 3.48Å; W294-I301 PolarHBondContact O-N 3.21Å; W294-C316 HydrophobicContact CZ2-CB 4.37Å; W294-L318 HydrophobicContact CB-CD1 4.27Å; W294-L318 HydrophobicContact CD2-CB 3.84Å; W294-L318 HydrophobicContact CD2-CD1 4.09Å; W294-L318 HydrophobicContact CD2-CD2 3.97Å; W294-L318 HydrophobicContact CD2-CG 4.19Å; W294-L318 HydrophobicContact CE3-CB 3.96Å; W294-L318 HydrophobicContact CE3-CD2 3.65Å; W294-L318 HydrophobicContact CE3-CG 4.28Å; W294-L318 HydrophobicContact CG-CD1 3.92Å; W294-L318 HydrophobicContact CG-CD2 4.39Å; W294-L318 HydrophobicContact CH2-CB 3.69Å; W294-L318 HydrophobicContact CZ2-CB 3.63Å; W294-L318 HydrophobicContact CZ3-CB 3.88Å; W294-L318 HydrophobicContact CZ3-CD2 4.04Å; W294-T332 WeakPolarHBondContact CA-O 3.25Å; W294-C333 HydrophobicContact CD2-CB 4.28Å; W294-C333 HydrophobicContact CE3-CB 3.96Å; W294-C333 HydrophobicContact CH2-CB 3.82Å; W294-C333 HydrophobicContact CZ2-CB 4.07Å; W294-C333 HydrophobicContact CZ3-CB 3.74Å
295L97.7Very high91.3Very high32 Ų3274.2 Ų74.217%0.16839%0.391CS..EExtended strand (participates in β ladder)trans-124.7146.5175.9-49.4113.6000110.4I293 K298 M299 Y331 T332 K334I293-L295 HydrophobicContact CG2-CD1 4.17Å; I293-L295 HydrophobicContact CG2-CG 4.19Å; L295-K298 WeakPolarHBondContact CD2-O 3.18Å; L295-M299 CarbonylContact C-O 3.53Å; L295-M299 WeakPolarHBondContact CA-O 3.49Å; L295-M299 WeakPolarHBondContact CB-O 3.27Å; L295-Y331 CarbonylContact O-C 3.59Å; L295-Y331 WeakPolarHBondContact O-CA 2.93Å; L295-T332 HydrophobicContact CD1-CG2 3.8Å; L295-T332 PolarHBondContact N-O 2.89Å; L295-T332 PolarHBondContact O-N 3.21Å; L295-K334 HydrophobicContact CD1-CB 4.19Å
296K97.4Very high91.4Very high29 Ų2970.5 Ų70.513%0.12638%0.379CS..EExtended strand (participates in β ladder)trans-118.8122.9166.9-179.4-172.5175.1-162.70108.3K298 M299 I301 Y307 F326 D327 I330 Y331K296-K298 PolarHBondContact O-N 2.82Å; K296-M299 PolarHBondContact N-O 2.87Å; K296-M299 WeakPolarHBondContact O-CB 3.48Å; K296-M299 PolarHBondContact O-N 3.41Å; K296-I301 HydrophobicContact CB-CD1 4.44Å; K296-I301 HydrophobicContact CB-CG2 3.6Å; K296-Y307 WeakPolarHBondContact CD-OH 3.4Å; K296-F326 PolarHBondContact NZ-O 2.92Å; K296-D327 IonicContact NZ-OD1 3.72Å; K296-D327 PolarHBondContact NZ-OD1 2.83Å; K296-I330 CarbonylContact C-O 3.53Å; K296-I330 WeakPolarHBondContact CA-O 2.79Å; K296-Y331 HydrophobicContact CB-CD1 4.27Å; K296-Y331 HydrophobicContact CB-CE1 4.04Å; K296-Y331 HydrophobicContact CD-CE1 4.08Å; K296-Y331 HydrophobicContact CD-CE2 4.46Å; K296-Y331 WeakPolarHBondContact CD-OH 3.48Å; K296-Y331 HydrophobicContact CG-CD1 4.46Å; K296-Y331 HydrophobicContact CG-CE1 3.99Å; K296-Y331 HydrophobicContact CG-CE2 4.21Å
297N96.4Very high91.7Very high87 Ų8770.8 Ų70.847%0.46538%0.375SS..THydrogen-bonded Turntrans49.443.5-176.3-58.3-32.1000111.7M299 G329 I330N297-M299 PolarHBondContact O-N 2.72Å; N297-G329 WeakPolarHBondContact OD1-CA 3.33Å; N297-I330 PolarHBondContact N-O 2.99Å; N297-I330 PolarHBondContact OD1-N 2.76Å
298K94.6Very high92.1Very high184 Ų18473.9 Ų73.980%0.838%0.38SS*.THydrogen-bonded Turntrans672.6-176.5-50.8178.7178.7179.80116.3L295 K296L295-K298 WeakPolarHBondContact CD2-O 3.18Å; K296-K298 PolarHBondContact O-N 2.82Å
299M95.6Very high92.4Very high138 Ų13873.5 Ų73.568%0.6838%0.382SS*.EExtended strand (participates in β ladder)trans-93.2134.6174.7-62.8-67.2-7100110.2L295 K296 N297 I301L295-M299 CarbonylContact C-O 3.53Å; L295-M299 WeakPolarHBondContact CA-O 3.49Å; L295-M299 WeakPolarHBondContact CB-O 3.27Å; K296-M299 PolarHBondContact N-O 2.87Å; K296-M299 WeakPolarHBondContact O-CB 3.48Å; K296-M299 PolarHBondContact O-N 3.41Å; N297-M299 PolarHBondContact O-N 2.72Å; M299-I301 PolarHBondContact O-N 2.92Å
300D93.9Very high92.5Very high95 Ų9572.9 Ų72.951%0.50839%0.387SS..EExtended strand (participates in β ladder)trans-63.2129.6174.3-166.3-13.6000109.9Q302D300-Q302 VanDerWaalsContact OD1-CB 3.24Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.18Å; D300-Q302 VanDerWaalsContact OD1-CG 3.23Å; D300-Q302 WeakPolarHBondContact OD1-CG 3.41Å; D300-Q302 PolarHBondContact OD1-N 2.81Å; D300-Q302 PolarHBondContact OD1-NE2 2.9Å; D300-Q302 PolarHBondContact OD2-NE2 2.8Å; D300-Q302 VanDerWaalsContact OD2-NE2 3.11Å
301I95.4Very high92.2Very high17 Ų1774.4 Ų74.49%0.08740%0.396CS..  trans-110.36.4179.856.8168.9000113W294 K296 M299 N304 Y307 L318 Y331W294-I301 HydrophobicContact CB-CD1 4.01Å; W294-I301 HydrophobicContact CB-CG1 3.89Å; W294-I301 VanDerWaalsContact O-CG1 3.29Å; W294-I301 WeakPolarHBondContact O-CG1 3.48Å; W294-I301 PolarHBondContact O-N 3.21Å; K296-I301 HydrophobicContact CB-CD1 4.44Å; K296-I301 HydrophobicContact CB-CG2 3.6Å; M299-I301 PolarHBondContact O-N 2.92Å; I301-N304 PolarHBondContact O-N 2.81Å; I301-Y307 HydrophobicContact CB-CD2 3.77Å; I301-Y307 HydrophobicContact CB-CE2 3.84Å; I301-Y307 HydrophobicContact CB-CG 4.41Å; I301-Y307 HydrophobicContact CD1-CD1 3.91Å; I301-Y307 HydrophobicContact CD1-CD2 4.06Å; I301-Y307 HydrophobicContact CD1-CE1 4.13Å; I301-Y307 HydrophobicContact CD1-CE2 4.28Å; I301-Y307 HydrophobicContact CD1-CG 3.87Å; I301-Y307 HydrophobicContact CG1-CD2 4.37Å; I301-Y307 HydrophobicContact CG2-CD2 4.34Å; I301-Y307 HydrophobicContact CG2-CE2 3.88Å; I301-L318 HydrophobicContact CD1-CD1 4.29Å; I301-L318 HydrophobicContact CD1-CD2 3.81Å; I301-Y331 HydrophobicContact CD1-CD1 4.35Å; I301-Y331 HydrophobicContact CD1-CE1 4.31Å
302Q86.7Confident91.6Very high98 Ų9873.7 Ų73.746%0.45839%0.394SS..THydrogen-bonded Turntrans-60.2141175.7-73.1171.274.700111.8D300 N304D300-Q302 VanDerWaalsContact OD1-CB 3.24Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.18Å; D300-Q302 VanDerWaalsContact OD1-CG 3.23Å; D300-Q302 WeakPolarHBondContact OD1-CG 3.41Å; D300-Q302 PolarHBondContact OD1-N 2.81Å; D300-Q302 PolarHBondContact OD1-NE2 2.9Å; D300-Q302 PolarHBondContact OD2-NE2 2.8Å; D300-Q302 VanDerWaalsContact OD2-NE2 3.11Å; Q302-N304 PolarHBondContact O-N 2.86Å
303G80.3Confident90.9Very high86 Ų8679.6 Ų79.689%0.88743%0.425SS*.THydrogen-bonded Turntrans78.8-9.9179.500000115.2
304N90.7Very high90.2Very high72 Ų7279.2 Ų79.239%0.38543%0.429SS..  trans-77.4122.1174.9179.4-28.3000110.3I301 Q302 K306 Y307I301-N304 PolarHBondContact O-N 2.81Å; Q302-N304 PolarHBondContact O-N 2.86Å; N304-K306 PolarHBondContact O-N 2.78Å; N304-K306 WeakPolarHBondContact OD1-CB 3.44Å; N304-K306 PolarHBondContact OD1-N 2.92Å; N304-Y307 HydrophobicContact CB-CD2 3.9Å; N304-Y307 HydrophobicContact CB-CE2 4.32Å; N304-Y307 PolarHBondContact O-N 2.87Å
305P90.3Very high89.9Confident108 Ų10883.2 Ų83.270%0.70145%0.45SS*.THydrogen-bonded Turntrans-65.9-12.1-172.727.6-36.7000114.4Y307P305-Y307 PolarHBondContact O-N 2.89Å
306K93.4Very high89.7Confident69 Ų6981.7 Ų81.730%0.344%0.442SS..THydrogen-bonded Turntrans-67.2-26.4172.4-169.7170.6-165.2171.40112.7N304 R321 D327N304-K306 PolarHBondContact O-N 2.78Å; N304-K306 WeakPolarHBondContact OD1-CB 3.44Å; N304-K306 PolarHBondContact OD1-N 2.92Å; K306-R321 WeakPolarHBondContact O-CB 3.41Å; K306-R321 WeakPolarHBondContact O-CG 3.36Å; K306-R321 PolarHBondContact O-N 2.85Å; K306-D327 VanDerWaalsContact CE-CG 3.42Å; K306-D327 WeakPolarHBondContact CE-OD1 3Å; K306-D327 WeakPolarHBondContact CE-OD2 3.45Å; K306-D327 IonicContact NZ-OD1 2.88Å; K306-D327 PolarHBondContact NZ-OD1 3Å; K306-D327 IonicContact NZ-OD2 2.9Å; K306-D327 PolarHBondContact NZ-OD2 3.1Å
307Y94.8Very high89.6Confident29 Ų2981 Ų8111%0.11444%0.441CS..EExtended strand (participates in β ladder)trans-111.5136.8-177.1-53.6-74.4000110.1K296 I301 N304 P305 L318 E319 I320 Y331K296-Y307 WeakPolarHBondContact CD-OH 3.4Å; I301-Y307 HydrophobicContact CB-CD2 3.77Å; I301-Y307 HydrophobicContact CB-CE2 3.84Å; I301-Y307 HydrophobicContact CB-CG 4.41Å; I301-Y307 HydrophobicContact CD1-CD1 3.91Å; I301-Y307 HydrophobicContact CD1-CD2 4.06Å; I301-Y307 HydrophobicContact CD1-CE1 4.13Å; I301-Y307 HydrophobicContact CD1-CE2 4.28Å; I301-Y307 HydrophobicContact CD1-CG 3.87Å; I301-Y307 HydrophobicContact CG1-CD2 4.37Å; I301-Y307 HydrophobicContact CG2-CD2 4.34Å; I301-Y307 HydrophobicContact CG2-CE2 3.88Å; N304-Y307 HydrophobicContact CB-CD2 3.9Å; N304-Y307 HydrophobicContact CB-CE2 4.32Å; N304-Y307 PolarHBondContact O-N 2.87Å; P305-Y307 PolarHBondContact O-N 2.89Å; Y307-L318 HydrophobicContact CD1-CD2 4.48Å; Y307-E319 CarbonylContact C-O 3.51Å; Y307-E319 WeakPolarHBondContact CA-O 3.47Å; Y307-I320 HydrophobicContact CD1-CG1 4.16Å; Y307-I320 HydrophobicContact CD1-CG2 4.42Å; Y307-I320 HydrophobicContact CE1-CG1 4.2Å; Y307-I320 HydrophobicContact CE1-CG2 4.06Å; Y307-Y331 AromaticContact CE1-CE1 3.89Å; Y307-Y331 HydrophobicContact CE1-CE1 3.89Å
308R92.4Very high89.6Confident113 Ų11377 Ų7743%0.42642%0.419SS..EExtended strand (participates in β ladder)trans-122.6105.3171.2174.517159.1159.17.8109E319 R321R308-E319 HydrophobicContact CB-CB 4.22Å; R308-E319 IonicContact CZ-OE1 3.41Å; R308-E319 IonicContact CZ-OE2 2.77Å; R308-E319 PolarHBondContact N-O 3.48Å; R308-E319 IonicContact NE-OE2 2.89Å; R308-E319 PolarHBondContact NE-OE2 2.98Å; R308-E319 IonicContact NH2-OE1 3.82Å; R308-E319 PolarHBondContact NH2-OE1 2.9Å; R308-E319 IonicContact NH2-OE2 3.9Å; R308-E319 PolarHBondContact NH2-OE2 2.98Å; R308-E319 PolarHBondContact O-N 2.84Å; R308-R321 VanDerWaalsContact CD-NH2 3.34Å
309A90.3Very high89.7Confident56 Ų5669.5 Ų69.546%0.46339%0.387SS..EExtended strand (participates in β ladder)trans-93139176.100000110.8S317 L318A309-S317 CarbonylContact C-O 3.58Å; A309-S317 VanDerWaalsContact CA-O 3.3Å; A309-S317 WeakPolarHBondContact CA-O 3.49Å; A309-L318 HydrophobicContact CB-CD1 4.02Å
310L84.3Confident89.8Confident100 Ų10063 Ų6352%0.52436%0.355SS..EExtended strand (participates in β ladder)trans-135.3142.2175.4-66.5169.8000109.7S317L310-S317 PolarHBondContact N-O 2.92Å; L310-S317 PolarHBondContact O-N 2.93Å
311T83.3Confident89.8Confident53 Ų5363.1 Ų63.133%0.32535%0.348SS..EExtended strand (participates in β ladder)trans-137.1118.6176.1-57.60000110.8I292 I315I292-T311 HydrophobicContact CG1-CG2 3.88Å; T311-I315 VanDerWaalsContact CA-O 3.29Å; T311-I315 WeakPolarHBondContact CA-O 3.41Å
312H78.1Confident89.7Confident122 Ų12269.8 Ų69.857%0.56538%0.377SS*.EExtended strand (participates in β ladder)trans-142.5126.1-179.9-170.570.9000110.5G314 I315H312-G314 PolarHBondContact O-N 2.97Å; H312-G314 VanDerWaalsContact O-N 3.1Å; H312-I315 PolarHBondContact N-O 3.23Å; H312-I315 WeakPolarHBondContact O-CB 3.41Å; H312-I315 PolarHBondContact O-N 3.16Å
313L80.2Confident90Very high147 Ų14765.2 Ų65.277%0.7736%0.355SS*.THydrogen-bonded Turntrans49.538.7175.9-59174000114.5I315L313-I315 VanDerWaalsContact C-N 3.32Å; L313-I315 PolarHBondContact O-N 2.95Å
314G81.8Confident90.6Very high23 Ų2361.9 Ų61.924%0.23732%0.321CS..THydrogen-bonded Turntrans86.6-8.6-179.400000115C283 V284 H312C283-G314 CarbonylContact C-O 3.59Å; C283-G314 WeakPolarHBondContact CA-O 3.29Å; V284-G314 PolarHBondContact N-O 2.78Å; V284-G314 WeakPolarHBondContact O-CA 3.24Å; H312-G314 PolarHBondContact O-N 2.97Å; H312-G314 VanDerWaalsContact O-N 3.1Å
315I91.3Very high90.6Very high90 Ų9062.3 Ų62.346%0.46233%0.328SS..EExtended strand (participates in β ladder)trans-84120.3172.6-54.7172.3000108.5T311 H312 L313T311-I315 VanDerWaalsContact CA-O 3.29Å; T311-I315 WeakPolarHBondContact CA-O 3.41Å; H312-I315 PolarHBondContact N-O 3.23Å; H312-I315 WeakPolarHBondContact O-CB 3.41Å; H312-I315 PolarHBondContact O-N 3.16Å; L313-I315 VanDerWaalsContact C-N 3.32Å; L313-I315 PolarHBondContact O-N 2.95Å
316C93.1Very high90.7Very high0 Ų066 Ų660%033%0.333CS..EExtended strand (participates in β ladder)trans-110.5119.7177.3-55.80000108.6F281 C282 I292 W294F281-C316 CarbonylContact C-O 3.58Å; F281-C316 VanDerWaalsContact CA-O 3.25Å; F281-C316 WeakPolarHBondContact CA-O 3.17Å; C282-C316 PolarHBondContact N-O 2.78Å; C282-C316 PolarHBondContact O-N 2.89Å; I292-C316 HydrophobicContact CG2-CB 4.42Å; W294-C316 HydrophobicContact CZ2-CB 4.37Å
317S95.1Very high90.8Very high15 Ų1563 Ų6311%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-124.7147.9176.864.60000112.4L280 A309 L310L280-S317 CarbonylContact O-C 3.57Å; L280-S317 VanDerWaalsContact O-CA 3.24Å; L280-S317 WeakPolarHBondContact O-CA 3.4Å; A309-S317 CarbonylContact C-O 3.58Å; A309-S317 VanDerWaalsContact CA-O 3.3Å; A309-S317 WeakPolarHBondContact CA-O 3.49Å; L310-S317 PolarHBondContact N-O 2.92Å; L310-S317 PolarHBondContact O-N 2.93Å
318L97Very high90.8Very high2 Ų262.8 Ų62.81%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-128.6116.1174.5-175.673.7000108.9Q279 L280 W294 I301 Y307 A309 Y331Q279-L318 WeakPolarHBondContact CA-O 3.41Å; L280-L318 HydrophobicContact CB-CB 4.37Å; L280-L318 HydrophobicContact CD1-CD2 4.27Å; L280-L318 PolarHBondContact N-O 2.74Å; L280-L318 PolarHBondContact O-N 2.99Å; W294-L318 HydrophobicContact CB-CD1 4.27Å; W294-L318 HydrophobicContact CD2-CB 3.84Å; W294-L318 HydrophobicContact CD2-CD1 4.09Å; W294-L318 HydrophobicContact CD2-CD2 3.97Å; W294-L318 HydrophobicContact CD2-CG 4.19Å; W294-L318 HydrophobicContact CE3-CB 3.96Å; W294-L318 HydrophobicContact CE3-CD2 3.65Å; W294-L318 HydrophobicContact CE3-CG 4.28Å; W294-L318 HydrophobicContact CG-CD1 3.92Å; W294-L318 HydrophobicContact CG-CD2 4.39Å; W294-L318 HydrophobicContact CH2-CB 3.69Å; W294-L318 HydrophobicContact CZ2-CB 3.63Å; W294-L318 HydrophobicContact CZ3-CB 3.88Å; W294-L318 HydrophobicContact CZ3-CD2 4.04Å; I301-L318 HydrophobicContact CD1-CD1 4.29Å; I301-L318 HydrophobicContact CD1-CD2 3.81Å; Y307-L318 HydrophobicContact CD1-CD2 4.48Å; A309-L318 HydrophobicContact CB-CD1 4.02Å; L318-Y331 HydrophobicContact CD2-CD1 3.72Å; L318-Y331 HydrophobicContact CD2-CE1 4.12Å
319E96.3Very high91Very high26 Ų2658 Ų5812%0.12131%0.313CS..EExtended strand (participates in β ladder)trans-89.8124.5167.6177.6-170.5-118.100109.7N277 T278 Y307 R308 R321N277-E319 HydrophobicContact CB-CG 4.42Å; N277-E319 PolarHBondContact ND2-OE1 2.89Å; T278-E319 CarbonylContact O-C 3.48Å; T278-E319 WeakPolarHBondContact O-CA 3.35Å; Y307-E319 CarbonylContact C-O 3.51Å; Y307-E319 WeakPolarHBondContact CA-O 3.47Å; R308-E319 HydrophobicContact CB-CB 4.22Å; R308-E319 IonicContact CZ-OE1 3.41Å; R308-E319 IonicContact CZ-OE2 2.77Å; R308-E319 PolarHBondContact N-O 3.48Å; R308-E319 IonicContact NE-OE2 2.89Å; R308-E319 PolarHBondContact NE-OE2 2.98Å; R308-E319 IonicContact NH2-OE1 3.82Å; R308-E319 PolarHBondContact NH2-OE1 2.9Å; R308-E319 IonicContact NH2-OE2 3.9Å; R308-E319 PolarHBondContact NH2-OE2 2.98Å; R308-E319 PolarHBondContact O-N 2.84Å; E319-R321 HydrophobicContact CG-CG 4.11Å; E319-R321 IonicContact OE2-CZ 2.71Å; E319-R321 IonicContact OE2-NE 2.6Å; E319-R321 PolarHBondContact OE2-NE 2.88Å; E319-R321 IonicContact OE2-NH2 3.04Å
320I96.8Very high91.4Very high1 Ų159.4 Ų59.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-94.7112.4167.9-51.9167.3000107.1N277 T278 L280 Y307 P323 Y331 V348N277-I320 WeakPolarHBondContact CA-O 3.31Å; T278-I320 PolarHBondContact N-O 2.57Å; T278-I320 PolarHBondContact O-N 2.71Å; L280-I320 HydrophobicContact CD1-CD1 4.27Å; L280-I320 HydrophobicContact CG-CD1 4.42Å; Y307-I320 HydrophobicContact CD1-CG1 4.16Å; Y307-I320 HydrophobicContact CD1-CG2 4.42Å; Y307-I320 HydrophobicContact CE1-CG1 4.2Å; Y307-I320 HydrophobicContact CE1-CG2 4.06Å; I320-P323 HydrophobicContact CG2-CB 3.99Å; I320-Y331 HydrophobicContact CD1-CD1 4.42Å; I320-Y331 HydrophobicContact CD1-CE1 3.78Å; I320-Y331 HydrophobicContact CD1-CE2 4.09Å; I320-Y331 HydrophobicContact CG1-CE1 4.19Å; I320-V348 HydrophobicContact CD1-CG1 4.5Å; I320-V348 HydrophobicContact CD1-CG2 4.48Å
321R95.1Very high92.1Very high98 Ų9854.6 Ų54.637%0.3729%0.287SS..  trans-84.6127.6-176.4-64.7174.7170.2-172.7-6.4110.9N277 K306 R308 E319N277-R321 WeakPolarHBondContact OD1-CA 3.09Å; K306-R321 WeakPolarHBondContact O-CB 3.41Å; K306-R321 WeakPolarHBondContact O-CG 3.36Å; K306-R321 PolarHBondContact O-N 2.85Å; R308-R321 VanDerWaalsContact CD-NH2 3.34Å; E319-R321 HydrophobicContact CG-CG 4.11Å; E319-R321 IonicContact OE2-CZ 2.71Å; E319-R321 IonicContact OE2-NE 2.6Å; E319-R321 PolarHBondContact OE2-NE 2.88Å; E319-R321 IonicContact OE2-NH2 3.04Å
322K92.6Very high92.8Very high158 Ų15852.9 Ų52.969%0.68728%0.276SS*.SBendtrans41.162.7177.7-58.5-175.2179.3-178.10112.1N277N277-K322 PolarHBondContact OD1-N 2.89Å
323P93.9Very high93.7Very high1 Ų147 Ų471%0.00625%0.249CC..  trans-58.2141.8-178.227.2-34.2000110.6T272 T274 G275 Y276 I320 D327 V350T272-P323 HydrophobicContact CG2-CB 4.25Å; T272-P323 HydrophobicContact CG2-CG 3.92Å; T274-P323 CarbonylContact C-O 3.59Å; T274-P323 VanDerWaalsContact CA-O 3.25Å; T274-P323 WeakPolarHBondContact CA-O 3.15Å; G275-P323 PolarHBondContact N-O 2.84Å; Y276-P323 WeakPolarHBondContact O-CD 3.43Å; Y276-P323 VanDerWaalsContact O-CG 3.26Å; Y276-P323 WeakPolarHBondContact O-CG 3.37Å; I320-P323 HydrophobicContact CG2-CB 3.99Å; P323-D327 VanDerWaalsContact CA-OD2 3.31Å; P323-D327 WeakPolarHBondContact CA-OD2 3.38Å; P323-D327 HydrophobicContact CB-CB 3.99Å; P323-V350 HydrophobicContact CB-CG2 4.41Å
324G93.1Very high94.6Very high16 Ų1642.7 Ų42.717%0.16522%0.224CC..  trans-115.6-178.4170.200000111.6F326 D327G324-F326 PolarHBondContact O-N 2.92Å; G324-F326 VanDerWaalsContact O-N 3.07Å; G324-D327 PolarHBondContact N-OD2 3.35Å; G324-D327 WeakPolarHBondContact O-CB 3.37Å; G324-D327 PolarHBondContact O-N 3.18Å
325P90.6Very high95.3Very high82 Ų8241.6 Ų41.653%0.53221%0.213SC..G310 helixtrans-55.9-32.1-174.4-27.134.8000114.2D327 V352P325-D327 VanDerWaalsContact C-N 3.28Å; P325-D327 PolarHBondContact O-N 3.01Å; P325-V352 HydrophobicContact CG-CG2 4.04Å
326F92.3Very high95.5Very high186 Ų18639.4 Ų39.482%0.81620%0.204SC*.G310 helixtrans-81.4-0.9178.9-56.7-70.9000114.2K296 G324K296-F326 PolarHBondContact NZ-O 2.92Å; G324-F326 PolarHBondContact O-N 2.92Å; G324-F326 VanDerWaalsContact O-N 3.07Å
327D94.9Very high95.3Very high5 Ų540 Ų403%0.02721%0.207CC..G310 helixtrans-86.6-9.1176.4-64.6-52.5000114.5K296 K306 P323 G324 P325 Y331 V350K296-D327 IonicContact NZ-OD1 3.72Å; K296-D327 PolarHBondContact NZ-OD1 2.83Å; K306-D327 VanDerWaalsContact CE-CG 3.42Å; K306-D327 WeakPolarHBondContact CE-OD1 3Å; K306-D327 WeakPolarHBondContact CE-OD2 3.45Å; K306-D327 IonicContact NZ-OD1 2.88Å; K306-D327 PolarHBondContact NZ-OD1 3Å; K306-D327 IonicContact NZ-OD2 2.9Å; K306-D327 PolarHBondContact NZ-OD2 3.1Å; P323-D327 VanDerWaalsContact CA-OD2 3.31Å; P323-D327 WeakPolarHBondContact CA-OD2 3.38Å; P323-D327 HydrophobicContact CB-CB 3.99Å; G324-D327 PolarHBondContact N-OD2 3.35Å; G324-D327 WeakPolarHBondContact O-CB 3.37Å; G324-D327 PolarHBondContact O-N 3.18Å; P325-D327 VanDerWaalsContact C-N 3.28Å; P325-D327 PolarHBondContact O-N 3.01Å; D327-Y331 WeakPolarHBondContact O-CE2 3.31Å; D327-Y331 PolarHBondContact O-OH 3.07Å; D327-V350 HydrophobicContact CB-CG2 4.26Å
328G95.4Very high95.1Very high24 Ų2444.8 Ų44.825%0.24724%0.237CC..  trans-61.9148.7168.300000111.6V348G328-V348 CarbonylContact C-O 3.6Å; G328-V348 WeakPolarHBondContact CA-O 3.26Å
329G96.5Very high94.7Very high14 Ų1448.9 Ų48.914%0.14426%0.259CS..EExtended strand (participates in β ladder)trans148.7-167.8179.300000113.3N297 V348N297-G329 WeakPolarHBondContact OD1-CA 3.33Å; G329-V348 PolarHBondContact N-O 2.91Å; G329-V348 PolarHBondContact O-N 2.89Å
330I98.1Very high94.5Very high84 Ų8449 Ų4943%0.43127%0.267SS..EExtended strand (participates in β ladder)trans-94125.4178.6-60174.9000108.4K296 N297 D345 C346K296-I330 CarbonylContact C-O 3.53Å; K296-I330 WeakPolarHBondContact CA-O 2.79Å; N297-I330 PolarHBondContact N-O 2.99Å; N297-I330 PolarHBondContact OD1-N 2.76Å; I330-D345 HydrophobicContact CG2-CB 4.1Å; I330-C346 CarbonylContact C-O 3.51Å; I330-C346 WeakPolarHBondContact CA-O 3.43Å
331Y98.2Very high94.6Very high0 Ų054.9 Ų54.90%030%0.295CS..EExtended strand (participates in β ladder)trans-108.1129.5173.8-73-100.4000109.3L280 L295 K296 I301 Y307 L318 I320 D327 D345 C346 V348L280-Y331 HydrophobicContact CD1-CD1 4.03Å; L280-Y331 HydrophobicContact CD1-CD2 4.31Å; L280-Y331 HydrophobicContact CD1-CG 3.73Å; L295-Y331 CarbonylContact O-C 3.59Å; L295-Y331 WeakPolarHBondContact O-CA 2.93Å; K296-Y331 HydrophobicContact CB-CD1 4.27Å; K296-Y331 HydrophobicContact CB-CE1 4.04Å; K296-Y331 HydrophobicContact CD-CE1 4.08Å; K296-Y331 HydrophobicContact CD-CE2 4.46Å; K296-Y331 WeakPolarHBondContact CD-OH 3.48Å; K296-Y331 HydrophobicContact CG-CD1 4.46Å; K296-Y331 HydrophobicContact CG-CE1 3.99Å; K296-Y331 HydrophobicContact CG-CE2 4.21Å; I301-Y331 HydrophobicContact CD1-CD1 4.35Å; I301-Y331 HydrophobicContact CD1-CE1 4.31Å; Y307-Y331 AromaticContact CE1-CE1 3.89Å; Y307-Y331 HydrophobicContact CE1-CE1 3.89Å; L318-Y331 HydrophobicContact CD2-CD1 3.72Å; L318-Y331 HydrophobicContact CD2-CE1 4.12Å; I320-Y331 HydrophobicContact CD1-CD1 4.42Å; I320-Y331 HydrophobicContact CD1-CE1 3.78Å; I320-Y331 HydrophobicContact CD1-CE2 4.09Å; I320-Y331 HydrophobicContact CG1-CE1 4.19Å; D327-Y331 WeakPolarHBondContact O-CE2 3.31Å; D327-Y331 PolarHBondContact O-OH 3.07Å; Y331-D345 CarbonylContact O-C 3.58Å; Y331-D345 VanDerWaalsContact O-CA 3.31Å; Y331-D345 WeakPolarHBondContact O-CA 3.19Å; Y331-C346 PolarHBondContact N-O 3.17Å; Y331-C346 PolarHBondContact O-N 3.23Å; Y331-V348 HydrophobicContact CD2-CB 3.88Å; Y331-V348 HydrophobicContact CD2-CG2 3.43Å; Y331-V348 VanDerWaalsContact CD2-CG2 3.43Å; Y331-V348 HydrophobicContact CE2-CB 3.77Å; Y331-V348 HydrophobicContact CE2-CG1 4.47Å; Y331-V348 HydrophobicContact CE2-CG2 3.74Å; Y331-V348 HydrophobicContact CG-CG2 4.26Å
332T98.4Very high94.7Very high16 Ų1651.4 Ų51.410%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-115.6129.7-179.2-56.70000109.6W294 L295 V344 D345W294-T332 WeakPolarHBondContact CA-O 3.25Å; L295-T332 HydrophobicContact CD1-CG2 3.8Å; L295-T332 PolarHBondContact N-O 2.89Å; L295-T332 PolarHBondContact O-N 3.21Å; T332-V344 CarbonylContact C-O 3.58Å; T332-V344 WeakPolarHBondContact CA-O 3.24Å; T332-D345 WeakPolarHBondContact CB-OD1 3.11Å; T332-D345 WeakPolarHBondContact CG2-OD1 3.37Å; T332-D345 PolarHBondContact OG1-OD1 3.3Å
333C98.1Very high94.9Very high0 Ų047.3 Ų47.30%028%0.278CS..EExtended strand (participates in β ladder)trans-101.6115163.9-175.10000108.6F263 L267 W294 S343 V344F263-C333 HydrophobicContact CE1-CB 4.36Å; F263-C333 HydrophobicContact CZ-CB 4.28Å; F263-C333 WeakPolarHBondContact CZ-O 3.28Å; L267-C333 HydrophobicContact CD1-CB 4.03Å; W294-C333 HydrophobicContact CD2-CB 4.28Å; W294-C333 HydrophobicContact CE3-CB 3.96Å; W294-C333 HydrophobicContact CH2-CB 3.82Å; W294-C333 HydrophobicContact CZ2-CB 4.07Å; W294-C333 HydrophobicContact CZ3-CB 3.74Å; C333-S343 VanDerWaalsContact O-CA 3.26Å; C333-S343 WeakPolarHBondContact O-CA 3.26Å; C333-V344 HydrophobicContact CB-CG2 4.07Å; C333-V344 PolarHBondContact N-O 2.82Å; C333-V344 PolarHBondContact O-N 3.1Å
334K97.8Very high95.1Very high55 Ų5548.3 Ų48.324%0.23928%0.284CS..EExtended strand (participates in β ladder)trans-108.3129177.6179.5174-177.51680110I292 I293 L295 V336 E341 A342I292-K334 CarbonylContact C-O 3.44Å; I292-K334 WeakPolarHBondContact CA-O 3.5Å; I293-K334 HydrophobicContact CB-CB 4.21Å; I293-K334 PolarHBondContact N-O 3.05Å; I293-K334 PolarHBondContact O-N 3.41Å; L295-K334 HydrophobicContact CD1-CB 4.19Å; K334-V336 HydrophobicContact CD-CG2 4.34Å; K334-V336 HydrophobicContact CG-CG2 4.07Å; K334-E341 VanDerWaalsContact CE-CD 3.42Å; K334-E341 WeakPolarHBondContact CE-OE2 3.23Å; K334-E341 IonicContact NZ-OE1 3.43Å; K334-E341 PolarHBondContact NZ-OE1 2.79Å; K334-E341 IonicContact NZ-OE2 3.78Å; K334-E341 PolarHBondContact NZ-OE2 2.73Å; K334-A342 WeakPolarHBondContact CA-O 3.46Å
335A97.1Very high95.4Very high0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-114.8130.7176.700000109.8P261 F263 V284 P290 K291 I292 E341 A342P261-A335 HydrophobicContact CB-CB 3.68Å; P261-A335 HydrophobicContact CG-CB 4.28Å; F263-A335 HydrophobicContact CE2-CB 4.16Å; F263-A335 HydrophobicContact CZ-CB 3.95Å; V284-A335 HydrophobicContact CG2-CB 3.92Å; P290-A335 HydrophobicContact CB-CB 4.07Å; P290-A335 HydrophobicContact CG-CB 4.38Å; K291-A335 WeakPolarHBondContact O-CA 3.44Å; I292-A335 HydrophobicContact CD1-CB 3.71Å; A335-E341 CarbonylContact O-C 3.6Å; A335-E341 VanDerWaalsContact O-CA 3.24Å; A335-E341 WeakPolarHBondContact O-CA 3.44Å; A335-A342 PolarHBondContact N-O 3.23Å; A335-A342 PolarHBondContact O-N 3.3Å
336V94.1Very high95.7Very high45 Ų4548.1 Ų48.127%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-130.7128.4-177.3-172.80000110.2P290 K291 I293 K334 E341P290-V336 CarbonylContact C-O 3.59Å; P290-V336 VanDerWaalsContact CA-O 3.26Å; P290-V336 WeakPolarHBondContact CA-O 3.34Å; K291-V336 PolarHBondContact N-O 2.86Å; K291-V336 PolarHBondContact O-N 3.37Å; I293-V336 HydrophobicContact CD1-CG2 4.33Å; K334-V336 HydrophobicContact CD-CG2 4.34Å; K334-V336 HydrophobicContact CG-CG2 4.07Å; V336-E341 HydrophobicContact CG1-CB 4.45Å; V336-E341 HydrophobicContact CG2-CB 4.01Å
337N90.8Very high96Very high13 Ų1345.4 Ų45.47%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-132.6176.9167.982.31.5000110.1E259 P261 P288 P290 L339 G340E259-N337 PolarHBondContact O-ND2 2.97Å; P261-N337 WeakPolarHBondContact CD-OD1 3.04Å; P261-N337 HydrophobicContact CG-CB 4.11Å; P288-N337 PolarHBondContact O-ND2 3.19Å; P288-N337 VanDerWaalsContact O-ND2 3.1Å; P290-N337 HydrophobicContact CB-CB 4.28Å; N337-L339 PolarHBondContact O-N 3.15Å; N337-L339 WeakPolarHBondContact OD1-CA 3.4Å; N337-L339 WeakPolarHBondContact OD1-CB 3.32Å; N337-L339 PolarHBondContact OD1-N 2.83Å; N337-G340 PolarHBondContact N-O 2.81Å; N337-G340 PolarHBondContact O-N 2.92Å; N337-G340 PolarHBondContact OD1-N 3.3Å
338P89.9Confident96.1Very high114 Ų11445.2 Ų45.274%0.7426%0.259SS*.THydrogen-bonded Turntrans-60.3-16.8-179.1-26.836.3000115.9
339L89Confident96.1Very high89 Ų8947 Ų4747%0.46626%0.262SS..THydrogen-bonded Turntrans-96.3-12-178.4-60.9174.7000113.1S258 A260 S287 N337S258-L339 WeakPolarHBondContact OG-CD1 3.4Å; A260-L339 HydrophobicContact CB-CB 4.04Å; S287-L339 WeakPolarHBondContact O-CD1 3.44Å; N337-L339 PolarHBondContact O-N 3.15Å; N337-L339 WeakPolarHBondContact OD1-CA 3.4Å; N337-L339 WeakPolarHBondContact OD1-CB 3.32Å; N337-L339 PolarHBondContact OD1-N 2.83Å
340G92.7Very high96.1Very high29 Ų2947.7 Ų47.730%0.29926%0.264SS..EExtended strand (participates in β ladder)trans156.2-167.1176.600000114P261 N337P261-G340 VanDerWaalsContact CD-O 3.28Å; P261-G340 WeakPolarHBondContact CD-O 3.33Å; N337-G340 PolarHBondContact N-O 2.81Å; N337-G340 PolarHBondContact O-N 2.92Å; N337-G340 PolarHBondContact OD1-N 3.3Å
341E97.1Very high95.8Very high123 Ų12349.9 Ų49.958%0.57527%0.27SS*.EExtended strand (participates in β ladder)trans-136151.9179.659.4177.4-134.900111.6K334 A335 V336K334-E341 VanDerWaalsContact CE-CD 3.42Å; K334-E341 WeakPolarHBondContact CE-OE2 3.23Å; K334-E341 IonicContact NZ-OE1 3.43Å; K334-E341 PolarHBondContact NZ-OE1 2.79Å; K334-E341 IonicContact NZ-OE2 3.78Å; K334-E341 PolarHBondContact NZ-OE2 2.73Å; A335-E341 CarbonylContact O-C 3.6Å; A335-E341 VanDerWaalsContact O-CA 3.24Å; A335-E341 WeakPolarHBondContact O-CA 3.44Å; V336-E341 HydrophobicContact CG1-CB 4.45Å; V336-E341 HydrophobicContact CG2-CB 4.01Å
342A97.8Very high95.2Very high25 Ų2554.1 Ų54.121%0.20730%0.296CS..EExtended strand (participates in β ladder)trans-140.6156.1168.700000109.8P261 F263 K334 A335P261-A342 HydrophobicContact CB-CB 4.34Å; P261-A342 WeakPolarHBondContact O-CB 3.4Å; F263-A342 HydrophobicContact CD2-CB 4.06Å; F263-A342 HydrophobicContact CE2-CB 4.06Å; K334-A342 WeakPolarHBondContact CA-O 3.46Å; A335-A342 PolarHBondContact N-O 3.23Å; A335-A342 PolarHBondContact O-N 3.3Å
343S97.9Very high94.2Very high73 Ų7357.2 Ų57.251%0.5132%0.316SS..EExtended strand (participates in β ladder)trans-139.8148.3175.353.30000111.3C333C333-S343 VanDerWaalsContact O-CA 3.26Å; C333-S343 WeakPolarHBondContact O-CA 3.26Å
344V98.1Very high92.6Very high22 Ų2268.4 Ų68.413%0.13338%0.376CS..EExtended strand (participates in β ladder)trans-128.9144.6168.8-71.90000109F263 P266 L267 C282 T332 C333F263-V344 HydrophobicContact CB-CG1 3.64Å; F263-V344 HydrophobicContact CD1-CG1 4.18Å; F263-V344 HydrophobicContact CD1-CG2 3.6Å; F263-V344 HydrophobicContact CD2-CB 4.34Å; F263-V344 HydrophobicContact CD2-CG1 3.58Å; F263-V344 HydrophobicContact CD2-CG2 4.03Å; F263-V344 HydrophobicContact CE1-CG2 3.62Å; F263-V344 HydrophobicContact CE2-CG1 4.27Å; F263-V344 HydrophobicContact CE2-CG2 4.03Å; F263-V344 HydrophobicContact CG-CB 4.3Å; F263-V344 HydrophobicContact CG-CG1 3.51Å; F263-V344 HydrophobicContact CG-CG2 3.8Å; F263-V344 HydrophobicContact CZ-CG2 3.84Å; P266-V344 HydrophobicContact CB-CB 4.39Å; P266-V344 HydrophobicContact CB-CG1 3.96Å; L267-V344 HydrophobicContact CD1-CG2 4.05Å; L267-V344 WeakPolarHBondContact CD1-O 3.31Å; L267-V344 HydrophobicContact CG-CG2 3.87Å; C282-V344 HydrophobicContact CB-CG2 4.22Å; T332-V344 CarbonylContact C-O 3.58Å; T332-V344 WeakPolarHBondContact CA-O 3.24Å; C333-V344 HydrophobicContact CB-CG2 4.07Å; C333-V344 PolarHBondContact N-O 2.82Å; C333-V344 PolarHBondContact O-N 3.1Å
345D98.2Very high92.4Very high90 Ų9069.1 Ų69.148%0.48138%0.383SS..EExtended strand (participates in β ladder)trans-117.6150-177.9-61.6-30.4000110I330 Y331 T332I330-D345 HydrophobicContact CG2-CB 4.1Å; Y331-D345 CarbonylContact O-C 3.58Å; Y331-D345 VanDerWaalsContact O-CA 3.31Å; Y331-D345 WeakPolarHBondContact O-CA 3.19Å; T332-D345 WeakPolarHBondContact CB-OD1 3.11Å; T332-D345 WeakPolarHBondContact CG2-OD1 3.37Å; T332-D345 PolarHBondContact OG1-OD1 3.3Å
346C98Very high92.1Very high4 Ų472.7 Ų72.73%0.02740%0.403CS..EExtended strand (participates in β ladder)trans-140.1159.2158.969.10000111.8L267 A268 D269 I330 Y331L267-C346 HydrophobicContact CB-CB 3.54Å; L267-C346 HydrophobicContact CD1-CB 4.49Å; A268-C346 WeakPolarHBondContact O-CB 3.24Å; D269-C346 VanDerWaalsContact OD1-CA 3.31Å; D269-C346 WeakPolarHBondContact OD1-CA 3.37Å; D269-C346 WeakPolarHBondContact OD1-CB 2.97Å; I330-C346 CarbonylContact C-O 3.51Å; I330-C346 WeakPolarHBondContact CA-O 3.43Å; Y331-C346 PolarHBondContact N-O 3.17Å; Y331-C346 PolarHBondContact O-N 3.23Å
347R97.9Very high92Very high128 Ų12874.3 Ų74.348%0.48341%0.411SS..EExtended strand (participates in β ladder)trans-93.7130171.8-174.3178.7175.598.49.9110.2D269 C270 D349D269-R347 VanDerWaalsContact CA-O 3.31Å; D269-R347 WeakPolarHBondContact CA-O 3.49Å; D269-R347 HydrophobicContact CB-CB 4.47Å; D269-R347 PolarHBondContact OD1-N 2.63Å; C270-R347 PolarHBondContact N-O 2.89Å; R347-D349 IonicContact CZ-OD1 2.98Å; R347-D349 IonicContact NE-OD1 2.71Å; R347-D349 PolarHBondContact NE-OD1 3.12Å; R347-D349 IonicContact NE-OD2 3.34Å; R347-D349 PolarHBondContact NE-OD2 3.1Å; R347-D349 IonicContact NH2-OD1 2.92Å; R347-D349 PolarHBondContact NH2-OD1 3.22Å
348V97.4Very high92.1Very high1 Ų177.9 Ų77.91%0.00643%0.431CS..EExtended strand (participates in β ladder)trans-110.5120.3170.1-178.90000108.8C270 T272 L280 I320 G328 G329 Y331C270-V348 WeakPolarHBondContact O-CA 3.37Å; T272-V348 HydrophobicContact CG2-CG1 4.05Å; L280-V348 HydrophobicContact CD1-CG2 3.99Å; L280-V348 HydrophobicContact CD2-CG2 3.84Å; I320-V348 HydrophobicContact CD1-CG1 4.5Å; I320-V348 HydrophobicContact CD1-CG2 4.48Å; G328-V348 CarbonylContact C-O 3.6Å; G328-V348 WeakPolarHBondContact CA-O 3.26Å; G329-V348 PolarHBondContact N-O 2.91Å; G329-V348 PolarHBondContact O-N 2.89Å; Y331-V348 HydrophobicContact CD2-CB 3.88Å; Y331-V348 HydrophobicContact CD2-CG2 3.43Å; Y331-V348 VanDerWaalsContact CD2-CG2 3.43Å; Y331-V348 HydrophobicContact CE2-CB 3.77Å; Y331-V348 HydrophobicContact CE2-CG1 4.47Å; Y331-V348 HydrophobicContact CE2-CG2 3.74Å; Y331-V348 HydrophobicContact CG-CG2 4.26Å
349D95.8Very high92.2Very high61 Ų6175.6 Ų75.633%0.32641%0.411SS..EExtended strand (participates in β ladder)trans-104.7130.6172.4-67.1-60.4000109.7C270 T271 T272 R347C270-D349 PolarHBondContact O-N 3.33Å; T271-D349 CarbonylContact C-O 3.52Å; T271-D349 VanDerWaalsContact CA-O 3.27Å; T271-D349 WeakPolarHBondContact CA-O 3.07Å; T272-D349 PolarHBondContact N-O 2.71Å; R347-D349 IonicContact CZ-OD1 2.98Å; R347-D349 IonicContact NE-OD1 2.71Å; R347-D349 PolarHBondContact NE-OD1 3.12Å; R347-D349 IonicContact NE-OD2 3.34Å; R347-D349 PolarHBondContact NE-OD2 3.1Å; R347-D349 IonicContact NH2-OD1 2.92Å; R347-D349 PolarHBondContact NH2-OD1 3.22Å
350V94.4Very high92.4Very high29 Ų2974.7 Ų74.718%0.17641%0.408CS..EExtended strand (participates in β ladder)trans-105.6118.5-179-174.70000109.6T272 P323 D327T272-V350 HydrophobicContact CG2-CB 4.34Å; T272-V350 HydrophobicContact CG2-CG1 4.34Å; T272-V350 HydrophobicContact CG2-CG2 3.8Å; T272-V350 CarbonylContact O-C 3.6Å; T272-V350 WeakPolarHBondContact O-CA 3.43Å; P323-V350 HydrophobicContact CB-CG2 4.41Å; D327-V350 HydrophobicContact CB-CG2 4.26Å
351K92.7Very high92.4Very high131 Ų13178 Ų7857%0.5742%0.415SS*.EExtended strand (participates in β ladder)trans-88.6136.2172.9-72.8-179174.2170.70110.4T271 T272 V273 T274T271-K351 HydrophobicContact CG2-CB 4.5Å; T271-K351 HydrophobicContact CG2-CD 3.53Å; T271-K351 HydrophobicContact CG2-CG 3.64Å; T272-K351 PolarHBondContact O-N 3.18Å; V273-K351 WeakPolarHBondContact CA-O 3.14Å; T274-K351 PolarHBondContact N-O 3.3Å; T274-K351 PolarHBondContact OG1-O 3.39Å
352V84.8Confident92Very high89 Ų8974.5 Ų74.554%0.53940%0.403SS..PPolyproline II helixtrans-90.6125.2166.9-173.50000106.3P325 N354P325-V352 HydrophobicContact CG-CG2 4.04Å; V352-N354 PolarHBondContact O-N 3.27Å
353P77.6Confident91.6Very high80 Ų8078.7 Ų78.752%0.51942%0.419SS..PPolyproline II helixtrans-59.8132.9171.7-514.2000109.1V273V273-P353 HydrophobicContact CG1-CG 3.71Å
354N65.9Low91Very high236 Ų23679.2 Ų79.2100%1.26241%0.411SS*.  trans-660173.4-78.3-10.2000112V352V352-N354 PolarHBondContact O-N 3.27Å

Retrieved 354 of 354 residues in 624.4 ms (Link to these results)