A0A088N6K2_SALSA Loading...

C21orf62-like protein

AlphaFold DB , UniProt , Accession A0A088N6K2, Species SALSA (Salmo salar, Atlantic salmon), Gene LOC106581739, Length 245 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low43.2Very low249 Ų249177.7 Ų177.7100%1.22788%0.879SS**  0106.50-81.2160.6129.900109
2S37.9Very low43.7Very low116 Ų116172.5 Ų172.581%0.81187%0.868SS**  trans175114.4135.3-165.10000107.7
3L42.1Very low44.3Very low165 Ų165165.7 Ų165.786%0.86484%0.843SS**  trans-85.1134.7175-82.5139.6000108.3
4N37.8Very low45.1Very low166 Ų166159.5 Ų159.589%0.88883%0.83SS**  trans-130.6108.7159.7-88.5-25.4000110.2
5R42.3Very low45.6Very low238 Ų238158.1 Ų158.190%0.89882%0.823SS**  trans-99.1111.9178.3-170.2-178.4-144.6177.65.9107.6S7R5-S7 PolarHBondContact O-N 3.49Å
6A41.9Very low46Very low103 Ų103155.7 Ų155.785%0.85181%0.81SS**  trans-79.2116.8172.800000109.7
7S43.2Very low46.3Very low95 Ų95153.9 Ų153.966%0.66480%0.801SS**  trans-91.6110.5173.245.30000109.6R5 W9R5-S7 PolarHBondContact O-N 3.49Å; S7-W9 PolarHBondContact O-N 3.39Å
8S42.7Very low46.4Very low111 Ų111157.2 Ų157.278%0.77680%0.802SS**  trans-81.8108.3170.570.60000109.9
9W41.8Very low46.8Very low239 Ų239153.3 Ų153.391%0.90579%0.786SS**  trans-85.7105.8167.7-81.149.3000109S7 R11S7-W9 PolarHBondContact O-N 3.39Å; W9-R11 PolarHBondContact O-N 3.4Å
10R47.5Very low46.9Very low238 Ų238151.2 Ų151.290%0.89878%0.776SS**  trans-75.7112.3166.6-77.3-171.5-174.9-136.52.3108.5
11R54.7Low47Very low235 Ų235153.8 Ų153.889%0.88778%0.776SS**PPolyproline II helixtrans-69.4132.3162.1-72.7-179.2176.8-177.5-1.4108.5W9W9-R11 PolarHBondContact O-N 3.4Å
12P49.3Very low47.4Very low115 Ų115147.1 Ų147.175%0.74775%0.749SS**PPolyproline II helixtrans-70.8143.7168.829.5-30.6000109.3A14P12-A14 PolarHBondContact O-N 3.36Å
13P51.4Low48Very low84 Ų84148.9 Ų148.955%0.54575%0.749SS.*PPolyproline II helixtrans-70.9123.5178.727.1-30.6000110L15 L16P13-L15 PolarHBondContact O-N 3.47Å; P13-L16 HydrophobicContact CG-CD1 4.32Å; P13-L16 PolarHBondContact O-N 2.93Å
14A55.7Low48.4Very low79 Ų79147.1 Ų147.165%0.65374%0.74SS**THydrogen-bonded Turntrans-60.7-3.7179.100000114.8P12P12-A14 PolarHBondContact O-N 3.36Å
15L51.9Low48.9Very low139 Ų139145.3 Ų145.373%0.72873%0.729SS**Hα-helixtrans-79.8-18.8-177.6-69.4166.5000114P13P13-L15 PolarHBondContact O-N 3.47Å
16L52.7Low49Very low119 Ų119139.1 Ų139.162%0.62372%0.72SS**Hα-helixtrans-80.2-18.9179.1-82.2159.1000113.8P13 T19P13-L16 HydrophobicContact CG-CD1 4.32Å; P13-L16 PolarHBondContact O-N 2.93Å; L16-T19 PolarHBondContact O-OG1 3.23Å
17L51.1Low49.1Very low125 Ų125139.6 Ų139.665%0.65472%0.717SS**Hα-helixtrans-81.9-27.4178.9-89.4133.3000112.6
18W48.1Very low48.9Very low214 Ų214140.7 Ų140.781%0.81172%0.72SS**Hα-helixtrans-77.7-29.4179-84.526.3000113.2L20 W21W18-L20 VanDerWaalsContact C-N 3.33Å; W18-W21 PolarHBondContact O-N 3.48Å
19T53.8Low48.8Very low83 Ų83141.1 Ų141.151%0.50972%0.717SS.*Hα-helixtrans-73.3-25.3176.152.70000112.7L16L16-T19 PolarHBondContact O-OG1 3.23Å
20L49.2Very low48.5Very low111 Ų111135.2 Ų135.258%0.58171%0.708SS**Hα-helixtrans-72-27.9175.5-111.294000113.4W18 L23W18-L20 VanDerWaalsContact C-N 3.33Å; L20-L23 PolarHBondContact O-N 3.48Å
21W48.4Very low48.1Very low206 Ų206128.7 Ų128.778%0.7869%0.69SS**Hα-helixtrans-73.7-25.3-178.9-86.352.2000113.4W18 L23W18-W21 PolarHBondContact O-N 3.48Å; W21-L23 VanDerWaalsContact C-N 3.34Å
22V52.7Low47.4Very low108 Ų108121.6 Ų121.666%0.65567%0.673SS**Hα-helixtrans-77.5-22.1178.6-177.10000112L24 L25V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L25 WeakPolarHBondContact O-CD1 3.34Å
23L50.1Low46.9Very low153 Ų153122 Ų12280%0.80167%0.673SS**THydrogen-bonded Turntrans-84.7-2176.7-80.3152.4000113.7L20 W21L20-L23 PolarHBondContact O-N 3.48Å; W21-L23 VanDerWaalsContact C-N 3.34Å
24L49.2Very low46.5Very low129 Ų129119.7 Ų119.768%0.67567%0.665SS**THydrogen-bonded Turntrans-112.617.2-177.4-84.8154.9000112.8V22 P26V22-L24 VanDerWaalsContact C-N 3.3Å; L24-P26 WeakPolarHBondContact O-CD 3.17Å
25L49.2Very low45.9Very low128 Ų128121.8 Ų121.867%0.6767%0.672SS**  trans-68.2114.9164.3-79.699.8000107.8V22 S27V22-L25 WeakPolarHBondContact O-CD1 3.34Å; L25-S27 PolarHBondContact O-N 3.11Å; L25-S27 VanDerWaalsContact O-N 3.11Å
26P45.3Very low46Very low108 Ų108118 Ų11870%0.70167%0.667SS**  trans-62.4120.9170.627-30.3000106.3L24 T28L24-P26 WeakPolarHBondContact O-CD 3.17Å; P26-T28 VanDerWaalsContact C-N 3.26Å; P26-T28 PolarHBondContact O-N 2.79Å
27S43.2Very low46.6Very low112 Ų112117.9 Ų117.978%0.78367%0.667SS**  trans-54.899.1163.7-51.30000106.4L25 V29L25-S27 PolarHBondContact O-N 3.11Å; L25-S27 VanDerWaalsContact O-N 3.11Å; S27-V29 PolarHBondContact O-N 2.89Å
28T38.6Very low48.2Very low119 Ų119113.2 Ų113.273%0.7364%0.644SS**  trans-6795.8171.649.40000105.3P26 T30P26-T28 VanDerWaalsContact C-N 3.26Å; P26-T28 PolarHBondContact O-N 2.79Å; T28-T30 VanDerWaalsContact C-N 3.3Å; T28-T30 PolarHBondContact O-N 2.83Å
29V42Very low50.2Low119 Ų119104 Ų10472%0.72161%0.612SS**  trans-58.4103.1166.8-179.70000104.8S27 L31S27-V29 PolarHBondContact O-N 2.89Å; V29-L31 VanDerWaalsContact C-N 3.27Å; V29-L31 PolarHBondContact O-N 2.87Å
30T35.3Very low52.2Low116 Ų116100.2 Ų100.271%0.71259%0.589SS**  trans-66.595.6173.4450000106.7T28 T32T28-T30 VanDerWaalsContact C-N 3.3Å; T28-T30 PolarHBondContact O-N 2.83Å; T30-T32 VanDerWaalsContact C-N 3.32Å; T30-T32 PolarHBondContact O-N 3.04Å
31L38.5Very low54.3Low101 Ų10195.2 Ų95.253%0.52956%0.562SS.*  trans-67.195.5173.7-149.380.7000106.7V29 T33 A58V29-L31 VanDerWaalsContact C-N 3.27Å; V29-L31 PolarHBondContact O-N 2.87Å; L31-T33 PolarHBondContact O-N 2.93Å; L31-A58 HydrophobicContact CD1-CB 4.01Å; L31-A58 HydrophobicContact CD2-CB 3.72Å; L31-A58 HydrophobicContact CG-CB 3.64Å
32T39.7Very low56.4Low86 Ų8685.6 Ų85.653%0.52853%0.526SS..  trans-71.2102.8171.945.90000106.9T30 G34T30-T32 VanDerWaalsContact C-N 3.32Å; T30-T32 PolarHBondContact O-N 3.04Å; T32-G34 VanDerWaalsContact C-N 3.34Å; T32-G34 PolarHBondContact O-N 2.95Å
33T38.9Very low58.1Low122 Ų12281.1 Ų81.175%0.74850%0.498SS*.  trans-67.593.2172.840.70000108.7L31L31-T33 PolarHBondContact O-N 2.93Å
34G42.5Very low59.7Low37 Ų3774.2 Ų74.238%0.38146%0.463SS..PPolyproline II helixtrans-73.2161.1158.300000110.5T32T32-G34 VanDerWaalsContact C-N 3.34Å; T32-G34 PolarHBondContact O-N 2.95Å
35P44Very low61Low123 Ų12372.1 Ų72.180%0.79946%0.456SS*.SBendtrans-62.1146.9-178.422.9-23.9000110.8
36G54.3Low62.2Low59 Ų5973 Ų7361%0.60846%0.461SS*.SBendtrans-54.2157.8-164.300000117.2
37N65.8Low63.6Low117 Ų11771.5 Ų71.563%0.62645%0.447SS*.  trans47.361.9175.3-59-7.4000114.2
38S82.9Confident65.1Low26 Ų2670.9 Ų70.918%0.18244%0.443CS..EExtended strand (participates in β ladder)trans-78.1132.6167.662.20000110.2C56 G92S38-C56 PolarHBondContact N-O 2.66Å; S38-C56 PolarHBondContact O-N 2.97Å; S38-C56 VanDerWaalsContact O-N 3.13Å; S38-C56 PolarHBondContact OG-O 2.94Å; S38-G92 WeakPolarHBondContact CA-O 3.21Å
39T91.9Very high67.3Low20 Ų2068.6 Ų68.612%0.12343%0.426CS..EExtended strand (participates in β ladder)trans-83.8130.6172.9-62.70000109.2L41 C54 E89 G92 L93 T94T39-L41 HydrophobicContact CG2-CD2 4.19Å; T39-L41 HydrophobicContact CG2-CG 4.24Å; T39-C54 WeakPolarHBondContact CA-O 3.49Å; T39-E89 VanDerWaalsContact CB-OE2 3.24Å; T39-E89 WeakPolarHBondContact CB-OE2 3.38Å; T39-E89 VanDerWaalsContact OG1-CD 3.29Å; T39-E89 PolarHBondContact OG1-OE2 3.47Å; T39-G92 PolarHBondContact N-O 3.42Å; T39-L93 HydrophobicContact CG2-CD1 3.89Å; T39-T94 PolarHBondContact O-N 3.09Å
40L93.9Very high69.5Low5 Ų563 Ų633%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-115.7124.7174.1169.265.2000109.4F42 C54 A68 T94 W96L40-F42 HydrophobicContact CD2-CD1 4.28Å; L40-F42 HydrophobicContact CD2-CE1 4.27Å; L40-F42 HydrophobicContact CG-CD1 4.08Å; L40-F42 HydrophobicContact CG-CE1 4.45Å; L40-C54 HydrophobicContact CB-CB 4.05Å; L40-C54 HydrophobicContact CD2-CB 4.45Å; L40-C54 HydrophobicContact CG-CB 4.42Å; L40-C54 PolarHBondContact N-O 3.44Å; L40-C54 PolarHBondContact O-N 3.18Å; L40-A68 HydrophobicContact CD2-CB 3.76Å; L40-T94 CarbonylContact C-O 3.57Å; L40-T94 WeakPolarHBondContact CA-O 3.2Å; L40-T94 HydrophobicContact CD1-CG2 3.63Å; L40-W96 HydrophobicContact CD1-CD2 3.68Å; L40-W96 HydrophobicContact CD1-CE3 4.2Å; L40-W96 HydrophobicContact CD1-CG 3.96Å; L40-W96 HydrophobicContact CD1-CZ2 4.02Å; L40-W96 HydrophobicContact CD2-CE3 4.37Å; L40-W96 HydrophobicContact CD2-CH2 3.8Å; L40-W96 HydrophobicContact CD2-CZ2 3.94Å; L40-W96 HydrophobicContact CD2-CZ3 4.01Å
41L93.8Very high72.2Confident6 Ų657.7 Ų57.73%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-116.8134.7176.2-62.2-178.3000110.7T39 R52 N53 L87 L93 T94 V95 W96T39-L41 HydrophobicContact CG2-CD2 4.19Å; T39-L41 HydrophobicContact CG2-CG 4.24Å; L41-R52 WeakPolarHBondContact CA-O 3.24Å; L41-N53 HydrophobicContact CD2-CB 3.67Å; L41-L87 HydrophobicContact CD1-CD1 3.78Å; L41-L93 HydrophobicContact CD1-CD1 3.95Å; L41-L93 HydrophobicContact CG-CD1 4.06Å; L41-T94 PolarHBondContact N-O 2.93Å; L41-V95 HydrophobicContact CB-CG2 4.48Å; L41-V95 WeakPolarHBondContact O-CA 3.42Å; L41-W96 PolarHBondContact O-N 3.15Å
42F92.7Very high74.8Confident3 Ų355.3 Ų55.31%0.01334%0.343CS..EExtended strand (participates in β ladder)trans-154.8159.1171.963.6-89.4000113L40 S44 L51 R52 E65 A68 W96L40-F42 HydrophobicContact CD2-CD1 4.28Å; L40-F42 HydrophobicContact CD2-CE1 4.27Å; L40-F42 HydrophobicContact CG-CD1 4.08Å; L40-F42 HydrophobicContact CG-CE1 4.45Å; F42-S44 PolarHBondContact O-N 3.49Å; F42-L51 CarbonylContact O-C 3.56Å; F42-L51 WeakPolarHBondContact O-CA 3.22Å; F42-R52 HydrophobicContact CD1-CB 3.94Å; F42-R52 HydrophobicContact CD2-CB 3.97Å; F42-R52 HydrophobicContact CD2-CG 4.05Å; F42-R52 HydrophobicContact CE1-CB 3.64Å; F42-R52 HydrophobicContact CE1-CG 4.38Å; F42-R52 HydrophobicContact CE2-CB 3.67Å; F42-R52 HydrophobicContact CE2-CG 3.52Å; F42-R52 HydrophobicContact CG-CB 4.11Å; F42-R52 HydrophobicContact CZ-CB 3.49Å; F42-R52 VanDerWaalsContact CZ-CB 3.49Å; F42-R52 HydrophobicContact CZ-CG 3.71Å; F42-R52 PolarHBondContact N-O 3.18Å; F42-R52 VanDerWaalsContact N-O 3.15Å; F42-R52 PolarHBondContact O-N 3.49Å; F42-E65 HydrophobicContact CD2-CB 4.45Å; F42-E65 HydrophobicContact CD2-CG 3.75Å; F42-E65 HydrophobicContact CE2-CB 3.87Å; F42-E65 HydrophobicContact CE2-CG 3.68Å; F42-E65 HydrophobicContact CG-CG 4.49Å; F42-E65 HydrophobicContact CZ-CB 4.29Å; F42-E65 HydrophobicContact CZ-CG 4.38Å; F42-A68 HydrophobicContact CE1-CB 4.12Å; F42-A68 HydrophobicContact CZ-CB 4.44Å; F42-W96 WeakPolarHBondContact CA-O 3.11Å; F42-W96 HydrophobicContact CB-CB 3.85Å; F42-W96 HydrophobicContact CB-CE3 4.31Å; F42-W96 HydrophobicContact CD1-CE3 4.12Å; F42-W96 HydrophobicContact CG-CE3 4.25Å
43D89.3Confident77.3Confident15 Ų1553.2 Ų53.28%0.0833%0.329CS..EExtended strand (participates in β ladder)trans-63.3131.6178.7-67-54.2000111.9L51D43-L51 WeakPolarHBondContact OD1-CD2 2.99Å
44S83.4Confident79.9Confident8 Ų847.4 Ų47.46%0.05629%0.293CS..  trans-76.1126.2175.5-174.80000110.4F42 D46 N47 S50F42-S44 PolarHBondContact O-N 3.49Å; S44-D46 PolarHBondContact O-N 3.45Å; S44-N47 CarbonylContact O-C 3.53Å; S44-N47 PolarHBondContact O-N 2.93Å; S44-S50 VanDerWaalsContact CB-O 3.32Å; S44-S50 WeakPolarHBondContact CB-O 3.3Å; S44-S50 WeakPolarHBondContact CB-OG 3.5Å; S44-S50 PolarHBondContact N-O 3.29Å
45T76.9Confident82.3Confident85 Ų8548.3 Ų48.352%0.52129%0.294SS..THydrogen-bonded Turntrans-62.9-27.7175.649.70000113.4
46D73.9Confident84.6Confident147 Ų14742.6 Ų42.679%0.78626%0.257SS*.THydrogen-bonded Turntrans-86.2-19.2-170.8-56.1-20.9000112.3S44S44-D46 PolarHBondContact O-N 3.45Å
47N75.4Confident86.2Confident76 Ų7644.1 Ų44.141%0.40626%0.258SS..  trans-156.3112.7179.7176.9-3.6000110.2S44 N49 S50S44-N47 CarbonylContact O-C 3.53Å; S44-N47 PolarHBondContact O-N 2.93Å; N47-N49 PolarHBondContact O-N 3.05Å; N47-N49 VanDerWaalsContact O-N 3.1Å; N47-N49 PolarHBondContact OD1-N 2.88Å; N47-S50 WeakPolarHBondContact CB-OG 3.42Å; N47-S50 PolarHBondContact O-N 3.38Å; N47-S50 PolarHBondContact O-OG 2.98Å
48S74.7Confident87.1Confident98 Ų9839 Ų3969%0.68523%0.232SC*.THydrogen-bonded Turntrans-57.4-28-177.159.50000113.3S50 R79S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.13Å; S48-R79 VanDerWaalsContact O-CZ 3.31Å; S48-R79 PolarHBondContact O-NE 2.98Å; S48-R79 VanDerWaalsContact O-NE 3.13Å; S48-R79 PolarHBondContact O-NH2 3.21Å
49N83.8Confident87.3Confident71 Ų7140.7 Ų40.738%0.3824%0.237SC..THydrogen-bonded Turntrans-89.918.8179.4-164.431.9000113.8N47 R79N47-N49 PolarHBondContact O-N 3.05Å; N47-N49 VanDerWaalsContact O-N 3.1Å; N47-N49 PolarHBondContact OD1-N 2.88Å; N49-R79 PolarHBondContact O-N 2.77Å
50S89.1Confident87.3Confident2 Ų240.3 Ų40.31%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-135.3151.6-177.769.30000112.4S44 N47 S48 V77S44-S50 VanDerWaalsContact CB-O 3.32Å; S44-S50 WeakPolarHBondContact CB-O 3.3Å; S44-S50 WeakPolarHBondContact CB-OG 3.5Å; S44-S50 PolarHBondContact N-O 3.29Å; N47-S50 WeakPolarHBondContact CB-OG 3.42Å; N47-S50 PolarHBondContact O-N 3.38Å; N47-S50 PolarHBondContact O-OG 2.98Å; S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.13Å; S50-V77 CarbonylContact C-O 3.58Å; S50-V77 VanDerWaalsContact CA-O 3.28Å; S50-V77 WeakPolarHBondContact CA-O 3.39Å; S50-V77 WeakPolarHBondContact CB-O 3.27Å
51L91.2Very high87.2Confident4 Ų446.4 Ų46.42%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-114.9149.6177.1-66.8163.5000109.5F42 D43 T76 V77 R79 L82 L106F42-L51 CarbonylContact O-C 3.56Å; F42-L51 WeakPolarHBondContact O-CA 3.22Å; D43-L51 WeakPolarHBondContact OD1-CD2 2.99Å; L51-T76 CarbonylContact O-C 3.49Å; L51-T76 WeakPolarHBondContact O-CA 3.28Å; L51-V77 PolarHBondContact N-O 2.8Å; L51-V77 PolarHBondContact O-N 2.9Å; L51-R79 HydrophobicContact CD1-CG 3.75Å; L51-R79 HydrophobicContact CG-CG 3.69Å; L51-L82 HydrophobicContact CD1-CD1 3.43Å; L51-L82 VanDerWaalsContact CD1-CD1 3.43Å; L51-L106 HydrophobicContact CD1-CD1 3.76Å; L51-L106 HydrophobicContact CD1-CD2 3.55Å; L51-L106 HydrophobicContact CD1-CG 4.31Å; L51-L106 HydrophobicContact CD2-CD1 4.19Å
52R92.9Very high87.1Confident51 Ų5146.9 Ų46.919%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-86.8122.1163.4-61.6-66.2-70.2167.4-4.3107.6L41 F42 N69 T76L41-R52 WeakPolarHBondContact CA-O 3.24Å; F42-R52 HydrophobicContact CD1-CB 3.94Å; F42-R52 HydrophobicContact CD2-CB 3.97Å; F42-R52 HydrophobicContact CD2-CG 4.05Å; F42-R52 HydrophobicContact CE1-CB 3.64Å; F42-R52 HydrophobicContact CE1-CG 4.38Å; F42-R52 HydrophobicContact CE2-CB 3.67Å; F42-R52 HydrophobicContact CE2-CG 3.52Å; F42-R52 HydrophobicContact CG-CB 4.11Å; F42-R52 HydrophobicContact CZ-CB 3.49Å; F42-R52 VanDerWaalsContact CZ-CB 3.49Å; F42-R52 HydrophobicContact CZ-CG 3.71Å; F42-R52 PolarHBondContact N-O 3.18Å; F42-R52 VanDerWaalsContact N-O 3.15Å; F42-R52 PolarHBondContact O-N 3.49Å; R52-N69 PolarHBondContact NE-OD1 3.21Å; R52-N69 PolarHBondContact NH2-OD1 3.29Å; R52-T76 PolarHBondContact NH1-OG1 3.48Å
53N92.9Very high87Confident43 Ų4348.8 Ų48.823%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-108.6114.6172.2-178-14.1000108.5L41 C74 H75 V77L41-N53 HydrophobicContact CD2-CB 3.67Å; N53-C74 WeakPolarHBondContact O-CA 3.34Å; N53-H75 PolarHBondContact N-O 3.38Å; N53-H75 PolarHBondContact O-CE1 3.37Å; N53-H75 PolarHBondContact O-N 2.82Å; N53-H75 PolarHBondContact O-ND1 2.93Å; N53-V77 HydrophobicContact CB-CG2 4.01Å
54C93.2Very high87.1Confident0 Ų050.7 Ų50.70%029%0.288CS..EExtended strand (participates in β ladder)trans-120.1133.6-171.8-61.60000110.6T39 L40 C72 S73 C74T39-C54 WeakPolarHBondContact CA-O 3.49Å; L40-C54 HydrophobicContact CB-CB 4.05Å; L40-C54 HydrophobicContact CD2-CB 4.45Å; L40-C54 HydrophobicContact CG-CB 4.42Å; L40-C54 PolarHBondContact N-O 3.44Å; L40-C54 PolarHBondContact O-N 3.18Å; C54-C72 HydrophobicContact CB-CB 3.98Å; C54-S73 WeakPolarHBondContact CA-O 3.42Å; C54-C74 HydrophobicContact CB-CB 4.11Å; C54-C74 WeakPolarHBondContact CB-SG 3.4Å; C54-C74 WeakPolarHBondContact SG-CB 3.48Å; C54-C74 CovalentContact SG-SG 2.03Å; C54-C74 PolarHBondContact SG-SG 2.85Å
55S93Very high87.6Confident55 Ų5551.8 Ų51.839%0.38529%0.292SS..EExtended strand (participates in β ladder)trans-99119.1164.8-170.70000109.1C72 S73S55-C72 WeakPolarHBondContact O-CB 3.23Å; S55-S73 PolarHBondContact N-O 2.72Å; S55-S73 PolarHBondContact O-N 3.07Å
56C90.8Very high88.3Confident3 Ų351.4 Ų51.42%0.0230%0.298CS..EExtended strand (participates in β ladder)trans-115.1136.1-177.7-58.60000110.3S38 I60 C72S38-C56 PolarHBondContact N-O 2.66Å; S38-C56 PolarHBondContact O-N 2.97Å; S38-C56 VanDerWaalsContact O-N 3.13Å; S38-C56 PolarHBondContact OG-O 2.94Å; C56-I60 HydrophobicContact CB-CG1 4.48Å; C56-C72 HydrophobicContact CB-CB 4.07Å; C56-C72 WeakPolarHBondContact CB-SG 3.27Å; C56-C72 WeakPolarHBondContact SG-CB 3.29Å; C56-C72 CovalentContact SG-SG 2.03Å; C56-C72 PolarHBondContact SG-SG 3.09Å
57S88Confident89.2Confident91 Ų9146.8 Ų46.864%0.63627%0.273SS*.SBendtrans-85.5-13.7175.257.50000113.4
58A86Confident90.1Very high9 Ų943.1 Ų43.17%0.07425%0.253CS..SBendtrans-143.6165.5179.200000110.9L31 I60L31-A58 HydrophobicContact CD1-CB 4.01Å; L31-A58 HydrophobicContact CD2-CB 3.72Å; L31-A58 HydrophobicContact CG-CB 3.64Å; A58-I60 PolarHBondContact O-N 3.03Å
59H87Confident90.9Very high63 Ų6341.8 Ų41.829%0.29224%0.238SC..  trans-65.3132.5174.9176.3-110.2000110.9D62 R116H59-D62 IonicContact NE2-OD1 3.92Å; H59-R116 PolarHBondContact CD2-NH1 2.83Å; H59-R116 PolarHBondContact NE2-NH1 3.4Å; H59-R116 PolarHBondContact NE2-NH2 3.44Å
60I91.9Very high91.4Very high12 Ų1245 Ų456%0.06226%0.255CS..  trans-105136.9172.3-51.4-59.5000108.4C56 A58 D62 L67 A68 L71 C72 W96C56-I60 HydrophobicContact CB-CG1 4.48Å; A58-I60 PolarHBondContact O-N 3.03Å; I60-D62 PolarHBondContact O-N 3.43Å; I60-L67 HydrophobicContact CG2-CB 4.21Å; I60-L67 HydrophobicContact CG2-CD2 3.99Å; I60-L67 HydrophobicContact CG2-CG 4.05Å; I60-A68 HydrophobicContact CG2-CB 4.18Å; I60-L71 HydrophobicContact CD1-CB 3.93Å; I60-L71 HydrophobicContact CD1-CD1 4.01Å; I60-C72 VanDerWaalsContact CG1-SG 3.58Å; I60-W96 HydrophobicContact CB-CH2 4.13Å; I60-W96 HydrophobicContact CB-CZ2 4.19Å; I60-W96 HydrophobicContact CG2-CH2 3.72Å; I60-W96 HydrophobicContact CG2-CZ2 4.21Å
61Q91.6Very high91.6Very high132 Ų13249.2 Ų49.262%0.61728%0.277SS*.  trans-51.3130.7175.5-177.7171.9-7.900110.5C63 D64 W96Q61-C63 PolarHBondContact O-N 2.84Å; Q61-D64 HydrophobicContact CB-CB 4.4Å; Q61-D64 PolarHBondContact O-N 3.19Å; Q61-W96 VanDerWaalsContact O-CH2 3.3Å; Q61-W96 WeakPolarHBondContact O-CH2 3.13Å; Q61-W96 WeakPolarHBondContact O-CZ2 3.38Å
62D91Very high91.7Very high16 Ų1649.8 Ų49.89%0.08628%0.281CS..THydrogen-bonded Turntrans-58.5137.9-175.3-72.2-9.4000110.6H59 I60 D64 W96 R116 S118 H143H59-D62 IonicContact NE2-OD1 3.92Å; I60-D62 PolarHBondContact O-N 3.43Å; D62-D64 PolarHBondContact O-N 2.93Å; D62-W96 PolarHBondContact OD1-NE1 3.44Å; D62-R116 IonicContact OD1-CZ 3.64Å; D62-R116 IonicContact OD1-NE 3.18Å; D62-R116 PolarHBondContact OD1-NE 2.84Å; D62-R116 IonicContact OD1-NH2 3.94Å; D62-R116 PolarHBondContact OD1-NH2 2.93Å; D62-R116 IonicContact OD2-CZ 3.05Å; D62-R116 VanDerWaalsContact OD2-CZ 3.29Å; D62-R116 IonicContact OD2-NE 3.29Å; D62-R116 PolarHBondContact OD2-NE 2.91Å; D62-R116 VanDerWaalsContact OD2-NE 3.09Å; D62-R116 IonicContact OD2-NH2 3.82Å; D62-R116 PolarHBondContact OD2-NH2 3.22Å; D62-S118 PolarHBondContact OD1-OG 3.42Å; D62-S118 PolarHBondContact OD2-OG 3.29Å; D62-H143 WeakPolarHBondContact OD2-CB 3.16Å; D62-H143 IonicContact OD2-CD2 3.6Å; D62-H143 IonicContact OD2-CG 3.26Å; D62-H143 VanDerWaalsContact OD2-CG 3.26Å; D62-H143 IonicContact OD2-ND1 3.99Å
63C90.4Very high91.8Very high43 Ų4351.8 Ų51.829%0.29130%0.303SS..THydrogen-bonded Turntrans67.310.7179.8-46.90000115.8Q61 E65 C120Q61-C63 PolarHBondContact O-N 2.84Å; C63-E65 PolarHBondContact O-N 3.04Å; C63-C120 WeakPolarHBondContact CA-SG 3.16Å; C63-C120 HydrophobicContact CB-CB 3.61Å; C63-C120 WeakPolarHBondContact CB-SG 3.25Å; C63-C120 WeakPolarHBondContact SG-CA 3.38Å; C63-C120 WeakPolarHBondContact SG-CB 3.33Å; C63-C120 CovalentContact SG-SG 2.03Å; C63-C120 PolarHBondContact SG-SG 2.88Å
64D92.6Very high91.8Very high56 Ų5651 Ų5130%0.29930%0.301SS..  trans-93.779.3171.6-164.9-21.2000111.4Q61 D62 A66 L67 A68 W96Q61-D64 HydrophobicContact CB-CB 4.4Å; Q61-D64 PolarHBondContact O-N 3.19Å; D62-D64 PolarHBondContact O-N 2.93Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.16Å; D64-A66 PolarHBondContact OD1-N 2.86Å; D64-L67 HydrophobicContact CB-CB 3.94Å; D64-L67 PolarHBondContact O-N 3.2Å; D64-L67 VanDerWaalsContact OD1-CB 3.24Å; D64-L67 WeakPolarHBondContact OD1-CB 3.38Å; D64-L67 PolarHBondContact OD1-N 3.44Å; D64-L67 WeakPolarHBondContact OD2-CB 3.03Å; D64-A68 PolarHBondContact O-N 2.03Å; D64-W96 WeakPolarHBondContact O-CZ3 3.42Å
65E92.5Very high91.7Very high31 Ų3155.8 Ų55.815%0.14532%0.323CS..Hα-helixtrans-64.2-33.3-178.9-63.7175.7-157.700112.8F42 C63 A68 N69 W96 R98F42-E65 HydrophobicContact CD2-CB 4.45Å; F42-E65 HydrophobicContact CD2-CG 3.75Å; F42-E65 HydrophobicContact CE2-CB 3.87Å; F42-E65 HydrophobicContact CE2-CG 3.68Å; F42-E65 HydrophobicContact CG-CG 4.49Å; F42-E65 HydrophobicContact CZ-CB 4.29Å; F42-E65 HydrophobicContact CZ-CG 4.38Å; C63-E65 PolarHBondContact O-N 3.04Å; E65-A68 PolarHBondContact O-N 3.01Å; E65-N69 WeakPolarHBondContact O-CB 3.04Å; E65-N69 PolarHBondContact O-N 2.93Å; E65-N69 PolarHBondContact O-ND2 2.78Å; E65-W96 HydrophobicContact CG-CE3 4.29Å; E65-W96 HydrophobicContact CG-CZ3 4.34Å; E65-R98 IonicContact OE1-CZ 3.36Å; E65-R98 IonicContact OE1-NE 3.21Å; E65-R98 PolarHBondContact OE1-NE 3.31Å; E65-R98 IonicContact OE1-NH2 2.7Å; E65-R98 PolarHBondContact OE1-NH2 3.49Å; E65-R98 IonicContact OE2-CZ 3.99Å; E65-R98 IonicContact OE2-NH2 2.9Å; E65-R98 PolarHBondContact OE2-NH2 3.47Å
66A92Very high91.7Very high77 Ų7756.9 Ų56.964%0.63633%0.327SS*.Hα-helixtrans-67.1-44.6178.200000110.5D64 N69 L70D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.16Å; D64-A66 PolarHBondContact OD1-N 2.86Å; A66-N69 PolarHBondContact O-N 3.13Å; A66-L70 PolarHBondContact O-N 3.1Å
67L93.9Very high91.7Very high49 Ų4958.1 Ų58.126%0.25733%0.334SS..Hα-helixtrans-65.7-41.1176.2-172.264.1000112I60 D64 N69 L70 L71I60-L67 HydrophobicContact CG2-CB 4.21Å; I60-L67 HydrophobicContact CG2-CD2 3.99Å; I60-L67 HydrophobicContact CG2-CG 4.05Å; D64-L67 HydrophobicContact CB-CB 3.94Å; D64-L67 PolarHBondContact O-N 3.2Å; D64-L67 VanDerWaalsContact OD1-CB 3.24Å; D64-L67 WeakPolarHBondContact OD1-CB 3.38Å; D64-L67 PolarHBondContact OD1-N 3.44Å; D64-L67 WeakPolarHBondContact OD2-CB 3.03Å; L67-N69 PolarHBondContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 3.31Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CD1-CG 3.89Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 PolarHBondContact O-N 2.87Å
68A93.3Very high91.7Very high0 Ų058 Ų580%032%0.324CS..Hα-helixtrans-59.6-46.1175.800000111.9L40 F42 I60 D64 E65 L70 L71 C72 W96L40-A68 HydrophobicContact CD2-CB 3.76Å; F42-A68 HydrophobicContact CE1-CB 4.12Å; F42-A68 HydrophobicContact CZ-CB 4.44Å; I60-A68 HydrophobicContact CG2-CB 4.18Å; D64-A68 PolarHBondContact O-N 2.03Å; E65-A68 PolarHBondContact O-N 3.01Å; A68-L70 PolarHBondContact O-N 3.22Å; A68-L71 PolarHBondContact O-N 3.02Å; A68-C72 VanDerWaalsContact O-CB 3.22Å; A68-C72 WeakPolarHBondContact O-CB 3.22Å; A68-C72 PolarHBondContact O-N 2.87Å; A68-W96 HydrophobicContact CB-CH2 3.93Å; A68-W96 HydrophobicContact CB-CZ3 3.87Å
69N92.1Very high91.6Very high69 Ų6958.7 Ų58.737%0.36932%0.324SS..Hα-helixtrans-66-24.2178.1-75.8-53000113.4R52 E65 A66 L67R52-N69 PolarHBondContact NE-OD1 3.21Å; R52-N69 PolarHBondContact NH2-OD1 3.29Å; E65-N69 WeakPolarHBondContact O-CB 3.04Å; E65-N69 PolarHBondContact O-N 2.93Å; E65-N69 PolarHBondContact O-ND2 2.78Å; A66-N69 PolarHBondContact O-N 3.13Å; L67-N69 PolarHBondContact O-N 3.13Å
70L93.1Very high91.3Very high138 Ų13859.8 Ų59.872%0.72334%0.339SS*.Hα-helixtrans-83.3-42177.8-173.573.5000112.4A66 L67 A68A66-L70 PolarHBondContact O-N 3.1Å; L67-L70 PolarHBondContact O-N 3.31Å; A68-L70 PolarHBondContact O-N 3.22Å
71L93.8Very high90.7Very high92 Ų9266.6 Ų66.648%0.48237%0.368SS..Hα-helixtrans-98.5-18.3-170-63.5-173.4000114.2I60 L67 A68I60-L71 HydrophobicContact CD1-CB 3.93Å; I60-L71 HydrophobicContact CD1-CD1 4.01Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CD1-CG 3.89Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 PolarHBondContact O-N 2.87Å; A68-L71 PolarHBondContact O-N 3.02Å
72C93.8Very high89.9Confident15 Ų1561.8 Ų61.810%0.10135%0.347CS..SBendtrans-111.7156.9-177.7-53.60000112.1C54 S55 C56 I60 A68 C74C54-C72 HydrophobicContact CB-CB 3.98Å; S55-C72 WeakPolarHBondContact O-CB 3.23Å; C56-C72 HydrophobicContact CB-CB 4.07Å; C56-C72 WeakPolarHBondContact CB-SG 3.27Å; C56-C72 WeakPolarHBondContact SG-CB 3.29Å; C56-C72 CovalentContact SG-SG 2.03Å; C56-C72 PolarHBondContact SG-SG 3.09Å; I60-C72 VanDerWaalsContact CG1-SG 3.58Å; A68-C72 VanDerWaalsContact O-CB 3.22Å; A68-C72 WeakPolarHBondContact O-CB 3.22Å; A68-C72 PolarHBondContact O-N 2.87Å; C72-C74 PolarHBondContact O-N 2.81Å
73S94.3Very high89.1Confident93 Ų9364.8 Ų64.865%0.6537%0.365SS*.EExtended strand (participates in β ladder)trans-82.598.6170.9-169.50000109.2C54 S55C54-S73 WeakPolarHBondContact CA-O 3.42Å; S55-S73 PolarHBondContact N-O 2.72Å; S55-S73 PolarHBondContact O-N 3.07Å
74C93.4Very high88.1Confident28 Ų2867.7 Ų67.719%0.18938%0.384CS..EExtended strand (participates in β ladder)trans-109.4136-173.7-640000112.9N53 C54 C72N53-C74 WeakPolarHBondContact O-CA 3.34Å; C54-C74 HydrophobicContact CB-CB 4.11Å; C54-C74 WeakPolarHBondContact CB-SG 3.4Å; C54-C74 WeakPolarHBondContact SG-CB 3.48Å; C54-C74 CovalentContact SG-SG 2.03Å; C54-C74 PolarHBondContact SG-SG 2.85Å; C72-C74 PolarHBondContact O-N 2.81Å
75H92.2Very high86.9Confident100 Ų10065.4 Ų65.446%0.46337%0.373SS..EExtended strand (participates in β ladder)trans-131.4156.1171.762.7-75.1000110.8N53 V77N53-H75 PolarHBondContact N-O 3.38Å; N53-H75 PolarHBondContact O-CE1 3.37Å; N53-H75 PolarHBondContact O-N 2.82Å; N53-H75 PolarHBondContact O-ND1 2.93Å; H75-V77 WeakPolarHBondContact CD2-CG2 3.35Å; H75-V77 WeakPolarHBondContact NE2-CG2 3.33Å
76T92.4Very high85.8Confident77 Ų7765.2 Ų65.247%0.47238%0.38SS..EExtended strand (participates in β ladder)trans-93.1129.7179.7-57.50000110.3L51 R52L51-T76 CarbonylContact O-C 3.49Å; L51-T76 WeakPolarHBondContact O-CA 3.28Å; R52-T76 PolarHBondContact NH1-OG1 3.48Å
77V90.2Very high85.3Confident29 Ų2963 Ų6318%0.17636%0.357CS..EExtended strand (participates in β ladder)trans-122.6137178.3-174.80000109S50 L51 N53 H75 L82S50-V77 CarbonylContact C-O 3.58Å; S50-V77 VanDerWaalsContact CA-O 3.28Å; S50-V77 WeakPolarHBondContact CA-O 3.39Å; S50-V77 WeakPolarHBondContact CB-O 3.27Å; L51-V77 PolarHBondContact N-O 2.8Å; L51-V77 PolarHBondContact O-N 2.9Å; N53-V77 HydrophobicContact CB-CG2 4.01Å; H75-V77 WeakPolarHBondContact CD2-CG2 3.35Å; H75-V77 WeakPolarHBondContact NE2-CG2 3.33Å; V77-L82 HydrophobicContact CG1-CD2 3.91Å; V77-L82 HydrophobicContact CG1-CG 4.28Å
78Q88.8Confident84.7Confident88 Ų8866.1 Ų66.141%0.41137%0.365SS..EExtended strand (participates in β ladder)trans-72.9138.6173.3-76.8178-15.200110.4S80 K81Q78-S80 VanDerWaalsContact C-N 3.28Å; Q78-S80 PolarHBondContact O-N 2.98Å; Q78-K81 HydrophobicContact CB-CB 4.44Å; Q78-K81 HydrophobicContact CB-CD 4.26Å; Q78-K81 HydrophobicContact CB-CG 4.05Å; Q78-K81 WeakPolarHBondContact O-CB 3.35Å; Q78-K81 PolarHBondContact O-N 2.03Å
79R83.1Confident83.9Confident25 Ų2568.4 Ų68.49%0.09438%0.376CS..G310 helixtrans-59.6-39.9179.1-69.8-165.1-83.4139.6-18.1112.3S48 N49 L51 K81 L82 E105S48-R79 VanDerWaalsContact O-CZ 3.31Å; S48-R79 PolarHBondContact O-NE 2.98Å; S48-R79 VanDerWaalsContact O-NE 3.13Å; S48-R79 PolarHBondContact O-NH2 3.21Å; N49-R79 PolarHBondContact O-N 2.77Å; L51-R79 HydrophobicContact CD1-CG 3.75Å; L51-R79 HydrophobicContact CG-CG 3.69Å; R79-K81 PolarHBondContact O-N 2.7Å; R79-K81 VanDerWaalsContact O-N 3.12Å; R79-L82 WeakPolarHBondContact O-CB 3.41Å; R79-L82 PolarHBondContact O-N 3.02Å; R79-E105 IonicContact NH1-OE1 3.9Å; R79-E105 IonicContact NH1-OE2 3.01Å; R79-E105 PolarHBondContact NH1-OE2 2.03Å
80S80Confident82.7Confident85 Ų8572.5 Ų72.559%0.59439%0.393SS*.G310 helixtrans-62.2-18.1175.258.90000115.3Q78Q78-S80 VanDerWaalsContact C-N 3.28Å; Q78-S80 PolarHBondContact O-N 2.98Å
81K80.1Confident81.9Confident155 Ų15567.1 Ų67.167%0.67437%0.371SS*.G310 helixtrans-87.7-14.3175.6-68.4-173.7177.9-175.80112.7Q78 R79Q78-K81 HydrophobicContact CB-CB 4.44Å; Q78-K81 HydrophobicContact CB-CD 4.26Å; Q78-K81 HydrophobicContact CB-CG 4.05Å; Q78-K81 WeakPolarHBondContact O-CB 3.35Å; Q78-K81 PolarHBondContact O-N 2.03Å; R79-K81 PolarHBondContact O-N 2.7Å; R79-K81 VanDerWaalsContact O-N 3.12Å
82L75.6Confident81.6Confident32 Ų3264 Ų6417%0.16836%0.361CS..SBendtrans-79.5134171.9-60.4-179.8000108.2L51 V77 R79 P84 L106L51-L82 HydrophobicContact CD1-CD1 3.43Å; L51-L82 VanDerWaalsContact CD1-CD1 3.43Å; V77-L82 HydrophobicContact CG1-CD2 3.91Å; V77-L82 HydrophobicContact CG1-CG 4.28Å; R79-L82 WeakPolarHBondContact O-CB 3.41Å; R79-L82 PolarHBondContact O-N 3.02Å; L82-P84 VanDerWaalsContact O-CD 3.25Å; L82-P84 WeakPolarHBondContact O-CD 3.37Å; L82-L106 HydrophobicContact CD1-CD2 3.73Å
83T72.6Confident81.5Confident78 Ų7863.4 Ų63.448%0.47936%0.357SS..PPolyproline II helixtrans-63.9119168.8-53.90000107.5G85 G86 L223T83-G85 PolarHBondContact O-N 2.76Å; T83-G86 WeakPolarHBondContact O-CA 3.42Å; T83-G86 PolarHBondContact O-N 3.4Å; T83-L223 HydrophobicContact CG2-CD1 4.08Å
84P70.1Confident81.6Confident104 Ų10459.9 Ų59.968%0.67533%0.332SS*.THydrogen-bonded Turntrans-55.8127177.6-24.534.6000109.6L82 G86L82-P84 VanDerWaalsContact O-CD 3.25Å; L82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-G86 PolarHBondContact O-N 3.12Å
85G67.9Low81.6Confident8 Ų858.8 Ų58.88%0.08232%0.324CS..THydrogen-bonded Turntrans62.312.6-176.800000115.4T83 E105 N108 G109 S110T83-G85 PolarHBondContact O-N 2.76Å; G85-E105 PolarHBondContact N-O 2.9Å; G85-N108 WeakPolarHBondContact CA-O 3.35Å; G85-G109 CarbonylContact O-C 2.86Å; G85-S110 VanDerWaalsContact C-OG 3.27Å; G85-S110 VanDerWaalsContact O-CA 3.24Å; G85-S110 WeakPolarHBondContact O-CA 3.35Å; G85-S110 PolarHBondContact O-N 2.74Å; G85-S110 PolarHBondContact O-OG 2.8Å
86G70.1Confident81.7Confident27 Ų2754.3 Ų54.328%0.27830%0.303SS..  trans-103.511.6-172.700000113.9T83 P84 R88T83-G86 WeakPolarHBondContact O-CA 3.42Å; T83-G86 PolarHBondContact O-N 3.4Å; P84-G86 PolarHBondContact O-N 3.12Å; G86-R88 PolarHBondContact O-N 3.01Å
87L81.6Confident81.5Confident32 Ų3250.8 Ų50.817%0.16828%0.281CS..  trans-66.4129.3178.3-64.9176.2000109.2L41 L93 L106 L107 S110 V111L41-L87 HydrophobicContact CD1-CD1 3.78Å; L87-L93 HydrophobicContact CD1-CD2 4.36Å; L87-L106 HydrophobicContact CD1-CB 4.47Å; L87-L107 HydrophobicContact CD1-CD2 3.99Å; L87-S110 PolarHBondContact N-OG 3.12Å; L87-S110 WeakPolarHBondContact O-CA 3.35Å; L87-S110 WeakPolarHBondContact O-CB 3Å; L87-V111 PolarHBondContact O-N 3.15Å
88R80.8Confident81.3Confident113 Ų11353.6 Ų53.643%0.42629%0.288SS..EExtended strand (participates in β ladder)trans-127.683.6-179.5-69.1177.5174.8-79.5-1.6107.2G86 V111 L223G86-R88 PolarHBondContact O-N 3.01Å; R88-V111 WeakPolarHBondContact CA-O 3.37Å; R88-V111 HydrophobicContact CG-CB 4.43Å; R88-L223 PolarHBondContact NH2-O 3.01Å
89E76.8Confident81Confident49 Ų4953.4 Ų53.423%0.22929%0.288CS..EExtended strand (participates in β ladder)trans-96.8121.8-179.6-17050.1-10200109.1T39 G91 L93 V111T39-E89 VanDerWaalsContact CB-OE2 3.24Å; T39-E89 WeakPolarHBondContact CB-OE2 3.38Å; T39-E89 VanDerWaalsContact OG1-CD 3.29Å; T39-E89 PolarHBondContact OG1-OE2 3.47Å; E89-G91 PolarHBondContact OE1-N 2.62Å; E89-G91 VanDerWaalsContact OE1-N 3.14Å; E89-L93 HydrophobicContact CB-CB 4.23Å; E89-L93 HydrophobicContact CG-CB 4.08Å; E89-V111 PolarHBondContact N-O 3.26Å
90Q66.9Low80.9Confident154 Ų15452.9 Ų52.972%0.7229%0.288SS*.EExtended strand (participates in β ladder)trans-82.7-25.9177.7-66.1-174.8-7.500110.9
91G75.4Confident80.9Confident25 Ų2555 Ų5526%0.25828%0.282SS..EExtended strand (participates in β ladder)trans-93.3-157.917400000113.6E89E89-G91 PolarHBondContact OE1-N 2.62Å; E89-G91 VanDerWaalsContact OE1-N 3.14Å
92G87.3Confident81.1Confident26 Ų2647.8 Ų47.827%0.26825%0.252SS..EExtended strand (participates in β ladder)trans-79.3131.4170.400000111.3S38 T39 D114S38-G92 WeakPolarHBondContact CA-O 3.21Å; T39-G92 PolarHBondContact N-O 3.42Å; G92-D114 WeakPolarHBondContact CA-O 3.37Å
93L92.9Very high81.7Confident3 Ų346.3 Ų46.32%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-102.8123.6172.1-17860.9000109.8T39 L41 L87 E89 V95 L107 V112 D114 L115 R116T39-L93 HydrophobicContact CG2-CD1 3.89Å; L41-L93 HydrophobicContact CD1-CD1 3.95Å; L41-L93 HydrophobicContact CG-CD1 4.06Å; L87-L93 HydrophobicContact CD1-CD2 4.36Å; E89-L93 HydrophobicContact CB-CB 4.23Å; E89-L93 HydrophobicContact CG-CB 4.08Å; L93-V95 HydrophobicContact CD1-CG2 4.36Å; L93-V95 HydrophobicContact CD2-CG2 4.12Å; L93-V95 HydrophobicContact CG-CG2 3.93Å; L93-L107 HydrophobicContact CD2-CD2 3.71Å; L93-V112 HydrophobicContact CB-CG1 3.73Å; L93-V112 HydrophobicContact CD2-CG1 4.24Å; L93-V112 HydrophobicContact CD2-CG2 3.81Å; L93-D114 PolarHBondContact N-O 2.81Å; L93-L115 HydrophobicContact CB-CD1 4.2Å; L93-L115 HydrophobicContact CD2-CD1 4.06Å; L93-L115 HydrophobicContact CG-CD1 4.13Å; L93-L115 CarbonylContact O-C 3.53Å; L93-L115 WeakPolarHBondContact O-CA 3.38Å; L93-R116 PolarHBondContact O-N 3.32Å
94T94.7Very high82.2Confident20 Ų2044.5 Ų44.512%0.12323%0.233CC..EExtended strand (participates in β ladder)trans-108.3130.4168.3-57.20000109.2T39 L40 L41 R116T39-T94 PolarHBondContact O-N 3.09Å; L40-T94 CarbonylContact C-O 3.57Å; L40-T94 WeakPolarHBondContact CA-O 3.2Å; L40-T94 HydrophobicContact CD1-CG2 3.63Å; L41-T94 PolarHBondContact N-O 2.93Å; T94-R116 CarbonylContact C-O 3.55Å; T94-R116 WeakPolarHBondContact CA-O 3.42Å; T94-R116 HydrophobicContact CG2-CB 4.14Å; T94-R116 HydrophobicContact CG2-CG 4.08Å
95V94.2Very high82.9Confident4 Ų442.6 Ų42.62%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-123.3118.8175.9-1740000108.8L41 L93 L103 L107 L115 R116 L117 S118L41-V95 HydrophobicContact CB-CG2 4.48Å; L41-V95 WeakPolarHBondContact O-CA 3.42Å; L93-V95 HydrophobicContact CD1-CG2 4.36Å; L93-V95 HydrophobicContact CD2-CG2 4.12Å; L93-V95 HydrophobicContact CG-CG2 3.93Å; V95-L103 HydrophobicContact CG1-CD2 4.16Å; V95-L107 HydrophobicContact CG2-CD1 4.33Å; V95-L107 HydrophobicContact CG2-CD2 4.37Å; V95-L115 HydrophobicContact CG2-CD1 4.36Å; V95-R116 PolarHBondContact N-O 2.85Å; V95-L117 HydrophobicContact CB-CD2 3.89Å; V95-L117 HydrophobicContact CG2-CD2 4.25Å; V95-L117 WeakPolarHBondContact O-CA 3.24Å; V95-S118 PolarHBondContact O-N 3.11Å
96W93.7Very high83.8Confident6 Ų642.5 Ų42.52%0.02321%0.212CC..EExtended strand (participates in β ladder)trans-99.6130.2168.3-57.8-16.1000108.8L40 L41 F42 I60 Q61 D62 D64 E65 A68 S118L40-W96 HydrophobicContact CD1-CD2 3.68Å; L40-W96 HydrophobicContact CD1-CE3 4.2Å; L40-W96 HydrophobicContact CD1-CG 3.96Å; L40-W96 HydrophobicContact CD1-CZ2 4.02Å; L40-W96 HydrophobicContact CD2-CE3 4.37Å; L40-W96 HydrophobicContact CD2-CH2 3.8Å; L40-W96 HydrophobicContact CD2-CZ2 3.94Å; L40-W96 HydrophobicContact CD2-CZ3 4.01Å; L41-W96 PolarHBondContact O-N 3.15Å; F42-W96 WeakPolarHBondContact CA-O 3.11Å; F42-W96 HydrophobicContact CB-CB 3.85Å; F42-W96 HydrophobicContact CB-CE3 4.31Å; F42-W96 HydrophobicContact CD1-CE3 4.12Å; F42-W96 HydrophobicContact CG-CE3 4.25Å; I60-W96 HydrophobicContact CB-CH2 4.13Å; I60-W96 HydrophobicContact CB-CZ2 4.19Å; I60-W96 HydrophobicContact CG2-CH2 3.72Å; I60-W96 HydrophobicContact CG2-CZ2 4.21Å; Q61-W96 VanDerWaalsContact O-CH2 3.3Å; Q61-W96 WeakPolarHBondContact O-CH2 3.13Å; Q61-W96 WeakPolarHBondContact O-CZ2 3.38Å; D62-W96 PolarHBondContact OD1-NE1 3.44Å; D64-W96 WeakPolarHBondContact O-CZ3 3.42Å; E65-W96 HydrophobicContact CG-CE3 4.29Å; E65-W96 HydrophobicContact CG-CZ3 4.34Å; A68-W96 HydrophobicContact CB-CH2 3.93Å; A68-W96 HydrophobicContact CB-CZ3 3.87Å; W96-S118 WeakPolarHBondContact CA-O 3.5Å
97L88.3Confident84.8Confident3 Ų341.2 Ų41.22%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-130142.6-175.158.7132.3000111.5P100 L103 S118 F119 C120 L193L97-P100 HydrophobicContact CD1-CB 4.42Å; L97-L103 HydrophobicContact CD1-CD1 3.73Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; L97-L103 HydrophobicContact CD2-CD1 3.76Å; L97-L103 HydrophobicContact CD2-CD2 3.92Å; L97-L103 HydrophobicContact CD2-CG 3.95Å; L97-L103 HydrophobicContact CG-CD1 4.36Å; L97-L103 HydrophobicContact CG-CG 4.5Å; L97-S118 WeakPolarHBondContact CD2-O 3.37Å; L97-S118 PolarHBondContact N-O 2.82Å; L97-F119 HydrophobicContact CD1-CD2 3.8Å; L97-F119 HydrophobicContact CG-CD2 4.28Å; L97-C120 PolarHBondContact O-N 2.89Å; L97-L193 HydrophobicContact CD1-CD1 4.19Å; L97-L193 HydrophobicContact CD2-CD1 4.23Å
98R85.6Confident85.3Confident88 Ų8842 Ų4233%0.33220%0.204SC..SBendtrans-98.6-39.8168.1-64.4178.7-175.5-174.21.8110.6E65 F119E65-R98 IonicContact OE1-CZ 3.36Å; E65-R98 IonicContact OE1-NE 3.21Å; E65-R98 PolarHBondContact OE1-NE 3.31Å; E65-R98 IonicContact OE1-NH2 2.7Å; E65-R98 PolarHBondContact OE1-NH2 3.49Å; E65-R98 IonicContact OE2-CZ 3.99Å; E65-R98 IonicContact OE2-NH2 2.9Å; E65-R98 PolarHBondContact OE2-NH2 3.47Å; R98-F119 VanDerWaalsContact O-CE2 3.3Å; R98-F119 WeakPolarHBondContact O-CE2 3.4Å
99E83Confident85.6Confident84 Ų8436.8 Ų36.839%0.39319%0.185SC..SBendtrans-108121.6177.2-6675.6-141.500112.2W101 V102E99-W101 VanDerWaalsContact C-N 3.3Å; E99-W101 HydrophobicContact CB-CG 4.48Å; E99-W101 VanDerWaalsContact CB-NE1 3.27Å; E99-W101 PolarHBondContact O-N 3Å; E99-V102 HydrophobicContact CB-CG2 4.1Å; E99-V102 WeakPolarHBondContact O-CB 3.03Å; E99-V102 PolarHBondContact O-N 3.11Å
100P80.8Confident86.2Confident15 Ų1534.5 Ų34.510%0.09717%0.174CC..THydrogen-bonded Turntrans-62.4-30.4-175-21.429.2000115.3L97 V102 L103 F119 I127L97-P100 HydrophobicContact CD1-CB 4.42Å; P100-V102 PolarHBondContact O-N 3.14Å; P100-L103 WeakPolarHBondContact O-CB 3.02Å; P100-L103 PolarHBondContact O-N 3.14Å; P100-L103 VanDerWaalsContact O-N 3.16Å; P100-F119 HydrophobicContact CG-CE2 4.11Å; P100-I127 HydrophobicContact CB-CB 4.43Å; P100-I127 HydrophobicContact CB-CD1 4.1Å; P100-I127 HydrophobicContact CB-CG1 4.07Å; P100-I127 HydrophobicContact CB-CG2 3.62Å; P100-I127 HydrophobicContact CG-CB 4.27Å; P100-I127 HydrophobicContact CG-CD1 3.72Å; P100-I127 HydrophobicContact CG-CG1 3.5Å; P100-I127 VanDerWaalsContact CG-CG1 3.5Å; P100-I127 HydrophobicContact CG-CG2 3.99Å
101W80.1Confident87.2Confident128 Ų12828.4 Ų28.449%0.48515%0.148SC..Hα-helixtrans-64.9-23.4-177.762.3-97.5000112.8E99 L103 T104 E105E99-W101 VanDerWaalsContact C-N 3.3Å; E99-W101 HydrophobicContact CB-CG 4.48Å; E99-W101 VanDerWaalsContact CB-NE1 3.27Å; E99-W101 PolarHBondContact O-N 3Å; W101-L103 PolarHBondContact O-N 2.98Å; W101-T104 PolarHBondContact O-N 2.94Å; W101-E105 WeakPolarHBondContact CZ3-OE2 3.38Å
102V84.3Confident87.7Confident4 Ų427.2 Ų27.22%0.02414%0.135CC..Hα-helixtrans-63.6-29.2177.6178.80000110.9E99 P100 T104 E105 L106E99-V102 HydrophobicContact CB-CG2 4.1Å; E99-V102 WeakPolarHBondContact O-CB 3.03Å; E99-V102 PolarHBondContact O-N 3.11Å; P100-V102 PolarHBondContact O-N 3.14Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 2.82Å; V102-E105 PolarHBondContact O-N 2.85Å; V102-L106 HydrophobicContact CG1-CD1 3.53Å; V102-L106 HydrophobicContact CG1-CG 3.91Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.45Å
103L88.1Confident87.8Confident1 Ų127.7 Ų27.71%0.00513%0.132CC..Hα-helixtrans-61.4-42.2177.6-76.3169000112.7V95 L97 P100 W101 E105 L106 L107 L117 L132 L193V95-L103 HydrophobicContact CG1-CD2 4.16Å; L97-L103 HydrophobicContact CD1-CD1 3.73Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; L97-L103 HydrophobicContact CD2-CD1 3.76Å; L97-L103 HydrophobicContact CD2-CD2 3.92Å; L97-L103 HydrophobicContact CD2-CG 3.95Å; L97-L103 HydrophobicContact CG-CD1 4.36Å; L97-L103 HydrophobicContact CG-CG 4.5Å; P100-L103 WeakPolarHBondContact O-CB 3.02Å; P100-L103 PolarHBondContact O-N 3.14Å; P100-L103 VanDerWaalsContact O-N 3.16Å; W101-L103 PolarHBondContact O-N 2.98Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 2.62Å; L103-L106 PolarHBondContact O-N 3.01Å; L103-L107 HydrophobicContact CD2-CD1 3.53Å; L103-L107 HydrophobicContact CD2-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 3.2Å; L103-L117 HydrophobicContact CD2-CD1 4.41Å; L103-L117 HydrophobicContact CD2-CD2 3.7Å; L103-L132 HydrophobicContact CB-CD2 4.27Å; L103-L193 HydrophobicContact CD1-CD1 3.34Å
104T84.6Confident87.7Confident41 Ų4129.8 Ų29.825%0.25214%0.143SC..Hα-helixtrans-66.3-37.9179.8-53.30000110.6W101 V102 N108W101-T104 PolarHBondContact O-N 2.94Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 2.82Å; T104-N108 HydrophobicContact CG2-CB 4.15Å; T104-N108 WeakPolarHBondContact O-CB 3.42Å; T104-N108 PolarHBondContact O-N 3.5Å
105E84.5Confident87.7Confident63 Ų6329.1 Ų29.129%0.29414%0.138SC..Hα-helixtrans-64.4-44.3175.9-171.6-173.516100111.8R79 G85 W101 V102 L103R79-E105 IonicContact NH1-OE1 3.9Å; R79-E105 IonicContact NH1-OE2 3.01Å; R79-E105 PolarHBondContact NH1-OE2 2.03Å; G85-E105 PolarHBondContact N-O 2.9Å; W101-E105 WeakPolarHBondContact CZ3-OE2 3.38Å; V102-E105 PolarHBondContact O-N 2.85Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 2.62Å
106L86.9Confident87.8Confident6 Ų630 Ų303%0.03114%0.141CC..Hα-helixtrans-82.8-43.8-172.8-63.6-179.7000113.7L51 L82 L87 V102 L103 S110L51-L106 HydrophobicContact CD1-CD1 3.76Å; L51-L106 HydrophobicContact CD1-CD2 3.55Å; L51-L106 HydrophobicContact CD1-CG 4.31Å; L51-L106 HydrophobicContact CD2-CD1 4.19Å; L82-L106 HydrophobicContact CD1-CD2 3.73Å; L87-L106 HydrophobicContact CD1-CB 4.47Å; V102-L106 HydrophobicContact CG1-CD1 3.53Å; V102-L106 HydrophobicContact CG1-CG 3.91Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.45Å; L103-L106 PolarHBondContact O-N 3.01Å; L106-S110 PolarHBondContact O-OG 2.85Å
107L91.1Very high87.8Confident0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-105.9-19.6-164.7-63.3-179.7000114.2L87 L93 V95 L103 G109 S110 L115 L117 L134L87-L107 HydrophobicContact CD1-CD2 3.99Å; L93-L107 HydrophobicContact CD2-CD2 3.71Å; V95-L107 HydrophobicContact CG2-CD1 4.33Å; V95-L107 HydrophobicContact CG2-CD2 4.37Å; L103-L107 HydrophobicContact CD2-CD1 3.53Å; L103-L107 HydrophobicContact CD2-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 3.2Å; L107-G109 PolarHBondContact O-N 3.26Å; L107-S110 WeakPolarHBondContact CA-OG 3.48Å; L107-S110 WeakPolarHBondContact O-CB 3.41Å; L107-S110 PolarHBondContact O-N 2.87Å; L107-S110 PolarHBondContact O-OG 2.79Å; L107-L115 HydrophobicContact CD1-CD1 4.22Å; L107-L115 HydrophobicContact CD1-CD2 4.19Å; L107-L117 HydrophobicContact CD1-CD2 3.74Å; L107-L134 HydrophobicContact CB-CD2 4.14Å
108N91.1Very high88.1Confident50 Ų5029.5 Ų29.527%0.26714%0.139SC..THydrogen-bonded Turntrans-68.4102.4-173.4-172.229.7000112G85 T104 L132 A133G85-N108 WeakPolarHBondContact CA-O 3.35Å; T104-N108 HydrophobicContact CG2-CB 4.15Å; T104-N108 WeakPolarHBondContact O-CB 3.42Å; T104-N108 PolarHBondContact O-N 3.5Å; N108-L132 HydrophobicContact CB-CB 4.45Å; N108-A133 PolarHBondContact OD1-N 3.2Å
109G87.6Confident88.3Confident3 Ų325.5 Ų25.53%0.03112%0.124CC..THydrogen-bonded Turntrans108.9-4.3-173.100000114.7G85 L107 A133 F135 P220G85-G109 CarbonylContact O-C 2.86Å; L107-G109 PolarHBondContact O-N 3.26Å; G109-A133 PolarHBondContact N-O 3.11Å; G109-F135 WeakPolarHBondContact O-CD2 3.42Å; G109-P220 VanDerWaalsContact CA-CG 3.41Å
110S88.8Confident88.5Confident0 Ų022.5 Ų22.50%011%0.112CC..  trans-75.3152.6-172.9-64.90000112.1G85 L87 L106 L107 F135G85-S110 VanDerWaalsContact C-OG 3.27Å; G85-S110 VanDerWaalsContact O-CA 3.24Å; G85-S110 WeakPolarHBondContact O-CA 3.35Å; G85-S110 PolarHBondContact O-N 2.74Å; G85-S110 PolarHBondContact O-OG 2.8Å; L87-S110 PolarHBondContact N-OG 3.12Å; L87-S110 WeakPolarHBondContact O-CA 3.35Å; L87-S110 WeakPolarHBondContact O-CB 3Å; L106-S110 PolarHBondContact O-OG 2.85Å; L107-S110 WeakPolarHBondContact CA-OG 3.48Å; L107-S110 WeakPolarHBondContact O-CB 3.41Å; L107-S110 PolarHBondContact O-N 2.87Å; L107-S110 PolarHBondContact O-OG 2.79Å; S110-F135 PolarHBondContact O-N 2.85Å
111V87.6Confident88.4Confident27 Ų2722.5 Ų22.516%0.16412%0.115CC..EExtended strand (participates in β ladder)trans-101.8107.8174-174.70000108L87 R88 E89 F135 L171 P222L87-V111 PolarHBondContact O-N 3.15Å; R88-V111 WeakPolarHBondContact CA-O 3.37Å; R88-V111 HydrophobicContact CG-CB 4.43Å; E89-V111 PolarHBondContact N-O 3.26Å; V111-F135 WeakPolarHBondContact CA-O 3.3Å; V111-F135 HydrophobicContact CB-CB 4.48Å; V111-F135 HydrophobicContact CG2-CB 3.99Å; V111-L171 HydrophobicContact CG2-CD1 4.35Å; V111-P222 HydrophobicContact CG2-CB 4.13Å
112V87.4Confident87.9Confident0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-142.3124.7-175.6-176.50000109L93 L115 F135 G136 L137L93-V112 HydrophobicContact CB-CG1 3.73Å; L93-V112 HydrophobicContact CD2-CG1 4.24Å; L93-V112 HydrophobicContact CD2-CG2 3.81Å; V112-L115 HydrophobicContact CG1-CB 4Å; V112-L115 HydrophobicContact CG1-CD1 4.28Å; V112-F135 PolarHBondContact N-O 2.74Å; V112-F135 VanDerWaalsContact N-O 3.1Å; V112-G136 CarbonylContact O-C 3.56Å; V112-L137 VanDerWaalsContact O-CA 3.25Å; V112-L137 WeakPolarHBondContact O-CA 3.3Å; V112-L137 PolarHBondContact O-N 2.97Å
113L88.4Confident86.9Confident36 Ų3624.9 Ų24.919%0.18815%0.148CC..EExtended strand (participates in β ladder)trans-82.1-51.7-178.9-60.3-178.6000111.9G136 R138 R139L113-G136 VanDerWaalsContact CD2-O 3.24Å; L113-G136 WeakPolarHBondContact CD2-O 3.5Å; L113-R138 PolarHBondContact O-N 2.8Å; L113-R139 PolarHBondContact O-N 2.9Å
114D91.4Very high85.5Confident47 Ų4730 Ų3025%0.25118%0.18SC..EExtended strand (participates in β ladder)trans-119.8112.3-179.5-80.66.8000108.6G92 L93 R139G92-D114 WeakPolarHBondContact CA-O 3.37Å; L93-D114 PolarHBondContact N-O 2.81Å; D114-R139 WeakPolarHBondContact OD1-CB 3.23Å; D114-R139 IonicContact OD2-NH1 2.93Å; D114-R139 PolarHBondContact OD2-NH1 3.39Å
115L94.8Very high84.2Confident5 Ų533 Ų333%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-114.2132.6-177.2-177.762.3000110.9L93 V95 L107 V112 L117 L134 L137 R139 L140 R141L93-L115 HydrophobicContact CB-CD1 4.2Å; L93-L115 HydrophobicContact CD2-CD1 4.06Å; L93-L115 HydrophobicContact CG-CD1 4.13Å; L93-L115 CarbonylContact O-C 3.53Å; L93-L115 WeakPolarHBondContact O-CA 3.38Å; V95-L115 HydrophobicContact CG2-CD1 4.36Å; L107-L115 HydrophobicContact CD1-CD1 4.22Å; L107-L115 HydrophobicContact CD1-CD2 4.19Å; V112-L115 HydrophobicContact CG1-CB 4Å; V112-L115 HydrophobicContact CG1-CD1 4.28Å; L115-L117 HydrophobicContact CD1-CD2 3.75Å; L115-L117 HydrophobicContact CD1-CG 4.41Å; L115-L117 HydrophobicContact CD2-CD1 4.18Å; L115-L117 HydrophobicContact CD2-CD2 3.96Å; L115-L117 HydrophobicContact CD2-CG 4.03Å; L115-L117 HydrophobicContact CG-CD2 3.87Å; L115-L117 HydrophobicContact CG-CG 3.99Å; L115-L134 HydrophobicContact CD2-CD1 3.51Å; L115-L134 HydrophobicContact CD2-CD2 4.45Å; L115-L137 HydrophobicContact CB-CD1 3.61Å; L115-R139 PolarHBondContact N-O 3.2Å; L115-L140 HydrophobicContact CB-CD1 4.22Å; L115-L140 HydrophobicContact CD2-CD1 4Å; L115-L140 HydrophobicContact CG-CD1 4.11Å; L115-L140 CarbonylContact O-C 3.57Å; L115-L140 WeakPolarHBondContact O-CA 3.29Å; L115-R141 PolarHBondContact O-N 3.2Å
116R95.4Very high83.6Confident22 Ų2233.8 Ų33.88%0.08321%0.211CC..EExtended strand (participates in β ladder)trans-119125.2166.7-179176.8-173.61503.1109.5H59 D62 L93 T94 V95 R141H59-R116 PolarHBondContact CD2-NH1 2.83Å; H59-R116 PolarHBondContact NE2-NH1 3.4Å; H59-R116 PolarHBondContact NE2-NH2 3.44Å; D62-R116 IonicContact OD1-CZ 3.64Å; D62-R116 IonicContact OD1-NE 3.18Å; D62-R116 PolarHBondContact OD1-NE 2.84Å; D62-R116 IonicContact OD1-NH2 3.94Å; D62-R116 PolarHBondContact OD1-NH2 2.93Å; D62-R116 IonicContact OD2-CZ 3.05Å; D62-R116 VanDerWaalsContact OD2-CZ 3.29Å; D62-R116 IonicContact OD2-NE 3.29Å; D62-R116 PolarHBondContact OD2-NE 2.91Å; D62-R116 VanDerWaalsContact OD2-NE 3.09Å; D62-R116 IonicContact OD2-NH2 3.82Å; D62-R116 PolarHBondContact OD2-NH2 3.22Å; L93-R116 PolarHBondContact O-N 3.32Å; T94-R116 CarbonylContact C-O 3.55Å; T94-R116 WeakPolarHBondContact CA-O 3.42Å; T94-R116 HydrophobicContact CG2-CB 4.14Å; T94-R116 HydrophobicContact CG2-CG 4.08Å; V95-R116 PolarHBondContact N-O 2.85Å; R116-R141 CarbonylContact C-O 3.51Å; R116-R141 VanDerWaalsContact CA-O 3.27Å; R116-R141 WeakPolarHBondContact CA-O 3.4Å; R116-R141 HydrophobicContact CB-CB 4.23Å; R116-R141 HydrophobicContact CG-CB 4.07Å; R116-R141 HydrophobicContact CG-CG 4.13Å; R116-R141 VanDerWaalsContact NH2-CZ 3.35Å; R116-R141 VanDerWaalsContact NH2-NH2 3.17Å
117L95.1Very high83.1Confident0 Ų033.7 Ų33.70%021%0.211CC..EExtended strand (participates in β ladder)trans-114.3128.1175.6-58.8-177.9000109.3V95 L103 L107 L115 L140 R141 V142 H143 L188 L193V95-L117 HydrophobicContact CB-CD2 3.89Å; V95-L117 HydrophobicContact CG2-CD2 4.25Å; V95-L117 WeakPolarHBondContact O-CA 3.24Å; L103-L117 HydrophobicContact CD2-CD1 4.41Å; L103-L117 HydrophobicContact CD2-CD2 3.7Å; L107-L117 HydrophobicContact CD1-CD2 3.74Å; L115-L117 HydrophobicContact CD1-CD2 3.75Å; L115-L117 HydrophobicContact CD1-CG 4.41Å; L115-L117 HydrophobicContact CD2-CD1 4.18Å; L115-L117 HydrophobicContact CD2-CD2 3.96Å; L115-L117 HydrophobicContact CD2-CG 4.03Å; L115-L117 HydrophobicContact CG-CD2 3.87Å; L115-L117 HydrophobicContact CG-CG 3.99Å; L117-L140 HydrophobicContact CD1-CD1 4.34Å; L117-L140 HydrophobicContact CG-CD1 4.36Å; L117-R141 PolarHBondContact N-O 3.29Å; L117-V142 CarbonylContact O-C 3.53Å; L117-V142 WeakPolarHBondContact O-CA 3.43Å; L117-H143 PolarHBondContact O-N 3.36Å; L117-L188 HydrophobicContact CD1-CD2 3.7Å; L117-L193 HydrophobicContact CB-CD2 3.91Å
118S93.5Very high82.6Confident0 Ų037.3 Ų37.30%023%0.234CC..EExtended strand (participates in β ladder)trans-126.3122.3176.7-48.70000110.3D62 V95 W96 L97 H143D62-S118 PolarHBondContact OD1-OG 3.42Å; D62-S118 PolarHBondContact OD2-OG 3.29Å; V95-S118 PolarHBondContact O-N 3.11Å; W96-S118 WeakPolarHBondContact CA-O 3.5Å; L97-S118 WeakPolarHBondContact CD2-O 3.37Å; L97-S118 PolarHBondContact N-O 2.82Å; S118-H143 WeakPolarHBondContact CA-O 3.37Å
119F90.8Very high82.2Confident3 Ų339 Ų391%0.01325%0.246CC..EExtended strand (participates in β ladder)trans-85.7116.8174-178.3-110.5000110.5L97 R98 P100 I127 H143 A145 A146 L193L97-F119 HydrophobicContact CD1-CD2 3.8Å; L97-F119 HydrophobicContact CG-CD2 4.28Å; R98-F119 VanDerWaalsContact O-CE2 3.3Å; R98-F119 WeakPolarHBondContact O-CE2 3.4Å; P100-F119 HydrophobicContact CG-CE2 4.11Å; F119-I127 HydrophobicContact CD2-CD1 4.12Å; F119-I127 HydrophobicContact CE2-CD1 4.28Å; F119-I127 HydrophobicContact CG-CD1 4.44Å; F119-H143 PolarHBondContact N-O 2.88Å; F119-A145 VanDerWaalsContact O-CB 3.27Å; F119-A145 WeakPolarHBondContact O-CB 3.38Å; F119-A145 PolarHBondContact O-N 3.1Å; F119-A146 HydrophobicContact CD1-CB 4.3Å; F119-A146 HydrophobicContact CE1-CB 4.46Å; F119-L193 HydrophobicContact CB-CB 4.37Å; F119-L193 HydrophobicContact CB-CD2 4.15Å
120C87.4Confident82.2Confident21 Ų2142.4 Ų42.414%0.14226%0.261CS..  trans-1139.6-174.4-56.20000113.4C63 L97C63-C120 WeakPolarHBondContact CA-SG 3.16Å; C63-C120 HydrophobicContact CB-CB 3.61Å; C63-C120 WeakPolarHBondContact CB-SG 3.25Å; C63-C120 WeakPolarHBondContact SG-CA 3.38Å; C63-C120 WeakPolarHBondContact SG-CB 3.33Å; C63-C120 CovalentContact SG-SG 2.03Å; C63-C120 PolarHBondContact SG-SG 2.88Å; L97-C120 PolarHBondContact O-N 2.89Å
121G77.6Confident82.3Confident15 Ų1549 Ų4916%0.15529%0.287CS..  trans-71.5146.3177.900000112.5G123G121-G123 VanDerWaalsContact C-N 3.28Å; G121-G123 PolarHBondContact O-N 3.5Å
122T70Confident82.5Confident159 Ų15947.7 Ų47.798%0.97528%0.279SS*.  trans-87.918.3-177.161.70000114.1
123G62.2Low82.7Confident23 Ų2347.9 Ų47.924%0.23728%0.281CS..SBendtrans-118.2159.3-166.700000115.3G121 L125G121-G123 VanDerWaalsContact C-N 3.28Å; G121-G123 PolarHBondContact O-N 3.5Å; G123-L125 PolarHBondContact O-N 2.92Å; G123-L125 VanDerWaalsContact O-N 3.11Å
124T59.3Low82.9Confident109 Ų10946.1 Ų46.167%0.66927%0.272SS*.  trans-76.827.4169.1500000112.8A126 Q147T124-A126 PolarHBondContact O-N 3.13Å; T124-A126 VanDerWaalsContact O-N 3.15Å; T124-Q147 HydrophobicContact CG2-CB 4.28Å
125L57.8Low82.7Confident105 Ų10544.1 Ų44.155%0.5526%0.261SS..  trans-70116.5-172.9-96.480000110G123 I127 N194G123-L125 PolarHBondContact O-N 2.92Å; G123-L125 VanDerWaalsContact O-N 3.11Å; L125-I127 PolarHBondContact O-N 2.88Å; L125-I127 VanDerWaalsContact O-N 3.11Å; L125-N194 PolarHBondContact O-OD1 3.02Å
126A70.8Confident82.3Confident79 Ų7944.9 Ų44.965%0.65327%0.27SS*.  trans-70.1100.4159.500000107.4T124 P128T124-A126 PolarHBondContact O-N 3.13Å; T124-A126 VanDerWaalsContact O-N 3.15Å; A126-P128 WeakPolarHBondContact O-CD 3.4Å; A126-P128 VanDerWaalsContact O-N 3.14Å
127I77.5Confident82.1Confident4 Ų443.9 Ų43.92%0.02127%0.266CS..  trans-58.2116.8171.3-56.7176.6000106.5P100 F119 L125 V190 L193 N194P100-I127 HydrophobicContact CB-CB 4.43Å; P100-I127 HydrophobicContact CB-CD1 4.1Å; P100-I127 HydrophobicContact CB-CG1 4.07Å; P100-I127 HydrophobicContact CB-CG2 3.62Å; P100-I127 HydrophobicContact CG-CB 4.27Å; P100-I127 HydrophobicContact CG-CD1 3.72Å; P100-I127 HydrophobicContact CG-CG1 3.5Å; P100-I127 VanDerWaalsContact CG-CG1 3.5Å; P100-I127 HydrophobicContact CG-CG2 3.99Å; F119-I127 HydrophobicContact CD2-CD1 4.12Å; F119-I127 HydrophobicContact CE2-CD1 4.28Å; F119-I127 HydrophobicContact CG-CD1 4.44Å; L125-I127 PolarHBondContact O-N 2.88Å; L125-I127 VanDerWaalsContact O-N 3.11Å; I127-V190 HydrophobicContact CG2-CG2 3.76Å; I127-L193 HydrophobicContact CD1-CB 3.49Å; I127-L193 VanDerWaalsContact CD1-CB 3.49Å; I127-N194 VanDerWaalsContact CB-OD1 3.29Å; I127-N194 WeakPolarHBondContact CB-OD1 3.44Å; I127-N194 WeakPolarHBondContact CG1-OD1 3.28Å; I127-N194 PolarHBondContact N-ND2 3.34Å; I127-N194 PolarHBondContact N-OD1 2.95Å; I127-N194 PolarHBondContact O-ND2 3.16Å
128P80.8Confident81.9Confident76 Ų7648 Ų4849%0.49428%0.282SS..  trans-65.4152.3179.628.3-34.7000109.7A126 Q130A126-P128 WeakPolarHBondContact O-CD 3.4Å; A126-P128 VanDerWaalsContact O-N 3.14Å; P128-Q130 HydrophobicContact CG-CG 4.45Å; P128-Q130 PolarHBondContact O-N 3.35Å
129T82.8Confident81.9Confident84 Ų8453.6 Ų53.652%0.51530%0.303SS..  trans-57.9114.9172.5-63.40000109.6Y131 D189T129-Y131 HydrophobicContact CG2-CD2 4.4Å; T129-Y131 HydrophobicContact CG2-CE2 3.59Å; T129-D189 WeakPolarHBondContact CA-OD1 3.5Å; T129-D189 WeakPolarHBondContact CG2-OD2 3.5Å
130Q87.9Confident82.1Confident75 Ų7553.5 Ų53.535%0.3530%0.302SS..  trans-139.4143.2172-58.418015.400107.1P128 D189 V190P128-Q130 HydrophobicContact CG-CG 4.45Å; P128-Q130 PolarHBondContact O-N 3.35Å; Q130-D189 WeakPolarHBondContact O-CA 3.18Å; Q130-V190 HydrophobicContact CB-CG2 3.73Å; Q130-V190 HydrophobicContact CG-CG2 4.47Å; Q130-V190 WeakPolarHBondContact O-CG2 3.28Å; Q130-V190 PolarHBondContact O-N 3.35Å
131Y90Very high82.5Confident138 Ų13855.9 Ų55.954%0.54131%0.308SS..EExtended strand (participates in β ladder)trans-106.7133.4-177.9-64.6-85.2000110.1T129 L188 D189T129-Y131 HydrophobicContact CG2-CD2 4.4Å; T129-Y131 HydrophobicContact CG2-CE2 3.59Å; Y131-L188 WeakPolarHBondContact CA-O 3.27Å; Y131-D189 HydrophobicContact CD1-CB 4.1Å; Y131-D189 HydrophobicContact CE1-CB 3.72Å
132L91.5Very high83.3Confident1 Ų155.2 Ų55.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-110.6143.7166.664.483.7000109.8L103 N108 L134 F187 L188 V190L103-L132 HydrophobicContact CB-CD2 4.27Å; N108-L132 HydrophobicContact CB-CB 4.45Å; L132-L134 HydrophobicContact CD1-CD1 3.44Å; L132-L134 VanDerWaalsContact CD1-CD1 3.44Å; L132-L134 HydrophobicContact CD1-CD2 3.94Å; L132-L134 HydrophobicContact CD1-CG 3.33Å; L132-F187 WeakPolarHBondContact O-CA 3.34Å; L132-L188 HydrophobicContact CD1-CB 3.73Å; L132-L188 HydrophobicContact CD1-CD2 4.05Å; L132-L188 HydrophobicContact CD1-CG 4.37Å; L132-L188 HydrophobicContact CD2-CD2 4.2Å; L132-L188 HydrophobicContact CG-CB 3.93Å; L132-L188 HydrophobicContact CG-CD2 4.28Å; L132-L188 HydrophobicContact CG-CG 4.35Å; L132-L188 PolarHBondContact N-O 3.16Å; L132-L188 PolarHBondContact O-N 3.04Å; L132-V190 HydrophobicContact CD2-CG1 3.56Å; L132-V190 HydrophobicContact CG-CG1 4.09Å
133A92.2Very high84.5Confident3 Ų349.6 Ų49.63%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-97.7129173.700000110N108 G109 S186 F187 L219 P220N108-A133 PolarHBondContact OD1-N 3.2Å; G109-A133 PolarHBondContact N-O 3.11Å; A133-S186 CarbonylContact C-O 3.57Å; A133-S186 WeakPolarHBondContact CA-O 3.45Å; A133-F187 HydrophobicContact CB-CD1 4.36Å; A133-F187 HydrophobicContact CB-CE1 4.29Å; A133-L219 HydrophobicContact CB-CD1 3.72Å; A133-P220 HydrophobicContact CB-CG 4.01Å
134L92.4Very high85.7Confident0 Ų048.5 Ų48.50%025%0.252CS..EExtended strand (participates in β ladder)trans-122.8146.3175.3-67.5166000110L107 L115 L132 L137 V185 S186L107-L134 HydrophobicContact CB-CD2 4.14Å; L115-L134 HydrophobicContact CD2-CD1 3.51Å; L115-L134 HydrophobicContact CD2-CD2 4.45Å; L132-L134 HydrophobicContact CD1-CD1 3.44Å; L132-L134 VanDerWaalsContact CD1-CD1 3.44Å; L132-L134 HydrophobicContact CD1-CD2 3.94Å; L132-L134 HydrophobicContact CD1-CG 3.33Å; L134-L137 HydrophobicContact CB-CB 4.39Å; L134-L137 HydrophobicContact CD1-CD1 4.41Å; L134-L137 HydrophobicContact CD1-CD2 3.88Å; L134-V185 CarbonylContact O-C 3.54Å; L134-V185 WeakPolarHBondContact O-CA 3.44Å; L134-S186 PolarHBondContact N-O 2.89Å; L134-S186 PolarHBondContact O-N 2.77Å
135F87.9Confident86.7Confident5 Ų545.8 Ų45.82%0.02224%0.241CC..EExtended strand (participates in β ladder)trans-109.8133.1177.3-66.8-86.2000110.9G109 S110 V111 V112 L137 L183 H184 V185 L219 P220 P222G109-F135 WeakPolarHBondContact O-CD2 3.42Å; S110-F135 PolarHBondContact O-N 2.85Å; V111-F135 WeakPolarHBondContact CA-O 3.3Å; V111-F135 HydrophobicContact CB-CB 4.48Å; V111-F135 HydrophobicContact CG2-CB 3.99Å; V112-F135 PolarHBondContact N-O 2.74Å; V112-F135 VanDerWaalsContact N-O 3.1Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 PolarHBondContact O-N 3.45Å; F135-L183 HydrophobicContact CD1-CD1 4.04Å; F135-L183 HydrophobicContact CE1-CD1 4.44Å; F135-H184 WeakPolarHBondContact CA-O 3.14Å; F135-V185 HydrophobicContact CD1-CG2 3.85Å; F135-V185 HydrophobicContact CE1-CB 4.42Å; F135-V185 HydrophobicContact CE1-CG1 4.16Å; F135-V185 HydrophobicContact CE1-CG2 3.57Å; F135-V185 HydrophobicContact CZ-CG1 4.45Å; F135-L219 HydrophobicContact CZ-CD2 4.31Å; F135-L219 HydrophobicContact CZ-CG 4.37Å; F135-P220 VanDerWaalsContact CE2-O 3.29Å; F135-P220 WeakPolarHBondContact CE2-O 3.3Å; F135-P220 WeakPolarHBondContact CZ-O 3.42Å; F135-P222 HydrophobicContact CD1-CG 4.25Å; F135-P222 HydrophobicContact CD2-CB 4.36Å; F135-P222 HydrophobicContact CD2-CG 4.44Å; F135-P222 HydrophobicContact CE1-CG 4.18Å; F135-P222 HydrophobicContact CE2-CG 4.37Å; F135-P222 HydrophobicContact CG-CG 4.39Å; F135-P222 HydrophobicContact CZ-CG 4.26Å
136G86.2Confident87.8Confident21 Ų2141.3 Ų41.322%0.21622%0.219CC..SBendtrans76.49.9173.700000116V112 L113 R138 H184V112-G136 CarbonylContact O-C 3.56Å; L113-G136 VanDerWaalsContact CD2-O 3.24Å; L113-G136 WeakPolarHBondContact CD2-O 3.5Å; G136-R138 PolarHBondContact O-N 3.25Å; G136-H184 PolarHBondContact N-O 2.97Å
137L90.8Very high88.3Confident0 Ų045 Ų450%022%0.223CC..  trans-61.4118.8-176.1-175.270.8000112.4V112 L115 L134 F135 R139 L140 I158 H184 I244V112-L137 VanDerWaalsContact O-CA 3.25Å; V112-L137 WeakPolarHBondContact O-CA 3.3Å; V112-L137 PolarHBondContact O-N 2.97Å; L115-L137 HydrophobicContact CB-CD1 3.61Å; L134-L137 HydrophobicContact CB-CB 4.39Å; L134-L137 HydrophobicContact CD1-CD1 4.41Å; L134-L137 HydrophobicContact CD1-CD2 3.88Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 PolarHBondContact O-N 3.45Å; L137-R139 WeakPolarHBondContact CD1-O 3.21Å; L137-L140 HydrophobicContact CD2-CB 4.3Å; L137-I158 HydrophobicContact CD2-CD1 4.24Å; L137-I158 HydrophobicContact CG-CD1 4.36Å; L137-I158 WeakPolarHBondContact O-CD1 3.39Å; L137-H184 PolarHBondContact O-CE1 2.98Å; L137-H184 PolarHBondContact O-ND1 3.11Å; L137-I244 HydrophobicContact CD2-CD1 3.76Å
138R90.5Very high88.4Confident88 Ų8848.1 Ų48.133%0.33226%0.256SS..  trans-104.8-36.7178.1-63.8176.1179-176.4-3.2112.3L113 G136 T157 I158L113-R138 PolarHBondContact O-N 2.8Å; G136-R138 PolarHBondContact O-N 3.25Å; R138-T157 CarbonylContact O-C 3.56Å; R138-T157 WeakPolarHBondContact O-CA 3.49Å; R138-I158 PolarHBondContact O-N 3.11Å
139R93.2Very high88.6Confident117 Ų11745 Ų4544%0.44224%0.237SC..EExtended strand (participates in β ladder)trans-135.4130.3-179.5-173.4-179.8-73.7140-9.7110.2L113 D114 L115 L137 V155 L156L113-R139 PolarHBondContact O-N 2.9Å; D114-R139 WeakPolarHBondContact OD1-CB 3.23Å; D114-R139 IonicContact OD2-NH1 2.93Å; D114-R139 PolarHBondContact OD2-NH1 3.39Å; L115-R139 PolarHBondContact N-O 3.2Å; L137-R139 WeakPolarHBondContact CD1-O 3.21Å; R139-V155 HydrophobicContact CG-CG1 4.27Å; R139-L156 WeakPolarHBondContact CA-O 3.38Å
140L96.1Very high88.8Confident0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans-117.7125.2170.7178.564.7000109L115 L117 L137 V142 V155 L156 L188 L199 I244L115-L140 HydrophobicContact CB-CD1 4.22Å; L115-L140 HydrophobicContact CD2-CD1 4Å; L115-L140 HydrophobicContact CG-CD1 4.11Å; L115-L140 CarbonylContact O-C 3.57Å; L115-L140 WeakPolarHBondContact O-CA 3.29Å; L117-L140 HydrophobicContact CD1-CD1 4.34Å; L117-L140 HydrophobicContact CG-CD1 4.36Å; L137-L140 HydrophobicContact CD2-CB 4.3Å; L140-V142 HydrophobicContact CD1-CG2 4.22Å; L140-V142 HydrophobicContact CD2-CG2 4Å; L140-V142 HydrophobicContact CG-CG2 3.88Å; L140-V155 CarbonylContact O-C 3.56Å; L140-V155 WeakPolarHBondContact O-CA 3.24Å; L140-L156 HydrophobicContact CB-CB 4.42Å; L140-L156 PolarHBondContact N-O 3.1Å; L140-L156 PolarHBondContact O-N 2.78Å; L140-L188 HydrophobicContact CD1-CD2 4.29Å; L140-L188 HydrophobicContact CD2-CD1 3.66Å; L140-L188 HydrophobicContact CD2-CD2 4.11Å; L140-L199 HydrophobicContact CD2-CD1 4.48Å; L140-L199 HydrophobicContact CD2-CD2 4.29Å; L140-I244 HydrophobicContact CD2-CD1 4.23Å; L140-I244 HydrophobicContact CD2-CG2 3.91Å
141R95.9Very high88.8Confident71 Ų7145.1 Ų45.127%0.26824%0.239SC..EExtended strand (participates in β ladder)trans-111.9131.7165.7-178.5168179.9178.8-4.5108.7L115 R116 L117 E153 Q154 V155L115-R141 PolarHBondContact O-N 3.2Å; R116-R141 CarbonylContact C-O 3.51Å; R116-R141 VanDerWaalsContact CA-O 3.27Å; R116-R141 WeakPolarHBondContact CA-O 3.4Å; R116-R141 HydrophobicContact CB-CB 4.23Å; R116-R141 HydrophobicContact CG-CB 4.07Å; R116-R141 HydrophobicContact CG-CG 4.13Å; R116-R141 VanDerWaalsContact NH2-CZ 3.35Å; R116-R141 VanDerWaalsContact NH2-NH2 3.17Å; L117-R141 PolarHBondContact N-O 3.29Å; R141-E153 IonicContact CZ-OE1 3.07Å; R141-E153 IonicContact CZ-OE2 2.97Å; R141-E153 IonicContact NE-OE1 3.03Å; R141-E153 PolarHBondContact NE-OE1 3.37Å; R141-E153 IonicContact NE-OE2 2.94Å; R141-E153 IonicContact NH1-OE1 3.09Å; R141-E153 IonicContact NH2-OE1 2.72Å; R141-E153 PolarHBondContact NH2-OE1 2.78Å; R141-E153 IonicContact NH2-OE2 2.66Å; R141-E153 PolarHBondContact NH2-OE2 3.42Å; R141-Q154 CarbonylContact C-O 3.56Å; R141-Q154 WeakPolarHBondContact CA-O 3.44Å; R141-V155 HydrophobicContact CB-CG2 4.22Å; R141-V155 HydrophobicContact CG-CG2 3.92Å
142V94.7Very high88.8Confident1 Ų143.1 Ų43.11%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-119.4126.3177.3-175.60000108L117 L140 E153 Q154 V192 L193 L199L117-V142 CarbonylContact O-C 3.53Å; L117-V142 WeakPolarHBondContact O-CA 3.43Å; L140-V142 HydrophobicContact CD1-CG2 4.22Å; L140-V142 HydrophobicContact CD2-CG2 4Å; L140-V142 HydrophobicContact CG-CG2 3.88Å; V142-E153 WeakPolarHBondContact O-CA 3.19Å; V142-Q154 PolarHBondContact N-O 2.82Å; V142-Q154 PolarHBondContact O-N 2.83Å; V142-V192 HydrophobicContact CG1-CG2 4.29Å; V142-V192 HydrophobicContact CG2-CG2 4.12Å; V142-L193 HydrophobicContact CG1-CD2 3.64Å; V142-L193 HydrophobicContact CG1-CG 4.19Å; V142-L199 HydrophobicContact CG2-CD2 4.22Å
143H93.3Very high88.9Confident41 Ų4148 Ų4819%0.1926%0.26CS..EExtended strand (participates in β ladder)trans-112.7122.1168.6-17870.7000109.4D62 L117 S118 F119 L152D62-H143 WeakPolarHBondContact OD2-CB 3.16Å; D62-H143 IonicContact OD2-CD2 3.6Å; D62-H143 IonicContact OD2-CG 3.26Å; D62-H143 VanDerWaalsContact OD2-CG 3.26Å; D62-H143 IonicContact OD2-ND1 3.99Å; L117-H143 PolarHBondContact O-N 3.36Å; S118-H143 WeakPolarHBondContact CA-O 3.37Å; F119-H143 PolarHBondContact N-O 2.88Å; H143-L152 CarbonylContact C-O 3.55Å; H143-L152 VanDerWaalsContact CA-O 3.28Å; H143-L152 WeakPolarHBondContact CA-O 3.36Å; H143-L152 PolarHBondContact ND1-O 3.38Å; H143-L152 VanDerWaalsContact ND1-O 3.16Å
144S87.4Confident89Confident0 Ų048.9 Ų48.90%026%0.263CS..EExtended strand (participates in β ladder)trans-110.8117.9176.5-174.90000109.5A146 L152 L193S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 WeakPolarHBondContact OG-CB 3.43Å; S144-A146 PolarHBondContact OG-N 2.83Å; S144-L152 PolarHBondContact N-O 2.89Å; S144-L152 WeakPolarHBondContact O-CD2 3.32Å; S144-L193 VanDerWaalsContact CB-O 3.23Å; S144-L193 WeakPolarHBondContact CB-O 3.43Å; S144-L193 PolarHBondContact OG-O 3.4Å
145A81.8Confident89.2Confident52 Ų5252.8 Ų52.843%0.4329%0.287SS..  trans-96.914.2165.300000112F119F119-A145 VanDerWaalsContact O-CB 3.27Å; F119-A145 WeakPolarHBondContact O-CB 3.38Å; F119-A145 PolarHBondContact O-N 3.1Å
146A80.4Confident89.6Confident11 Ų1154 Ų549%0.09129%0.293CS..  trans-63.7138.5-17900000110.8F119 S144 G148 A149F119-A146 HydrophobicContact CD1-CB 4.3Å; F119-A146 HydrophobicContact CE1-CB 4.46Å; S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 WeakPolarHBondContact OG-CB 3.43Å; S144-A146 PolarHBondContact OG-N 2.83Å; A146-G148 PolarHBondContact O-N 2.84Å; A146-A149 HydrophobicContact CB-CB 4.36Å; A146-A149 VanDerWaalsContact O-CB 3.25Å; A146-A149 WeakPolarHBondContact O-CB 3.38Å; A146-A149 PolarHBondContact O-N 2.77Å; A146-A149 VanDerWaalsContact O-N 3.1Å
147Q81.1Confident89.9Confident158 Ų15856.8 Ų56.874%0.73831%0.307SS*.THydrogen-bonded Turntrans-62124.1-177.8-17317611.800110.8T124T124-Q147 HydrophobicContact CG2-CB 4.28Å
148G79.6Confident89.8Confident69 Ų6957.7 Ų57.771%0.71131%0.311SS*.THydrogen-bonded Turntrans82.58.4179.800000114.8A146 P150A146-G148 PolarHBondContact O-N 2.84Å; G148-P150 WeakPolarHBondContact O-CD 3.35Å
149A84.3Confident89.1Confident11 Ų1158.6 Ų58.69%0.09133%0.331CS..  trans-64.9115.2173.900000111.4A146 H151 L152 N194A146-A149 HydrophobicContact CB-CB 4.36Å; A146-A149 VanDerWaalsContact O-CB 3.25Å; A146-A149 WeakPolarHBondContact O-CB 3.38Å; A146-A149 PolarHBondContact O-N 2.77Å; A146-A149 VanDerWaalsContact O-N 3.1Å; A149-H151 VanDerWaalsContact C-N 3.26Å; A149-H151 PolarHBondContact O-N 2.93Å; A149-L152 HydrophobicContact CB-CD2 4.16Å; A149-N194 WeakPolarHBondContact CB-O 3.41Å
150P87.8Confident87.7Confident88 Ų8855.8 Ų55.857%0.57133%0.329SS*.SBendtrans-69.4-24.7173.326.9-35.8000113G148 G195G148-P150 WeakPolarHBondContact O-CD 3.35Å; P150-G195 WeakPolarHBondContact CD-O 3.4Å; P150-G195 WeakPolarHBondContact CG-O 3.44Å
151H88.5Confident85.7Confident72 Ų7267.8 Ų67.833%0.33338%0.375SS..  trans-115.283.7-176.8-58-70.6000111.4A149 Q154 G195 S198A149-H151 VanDerWaalsContact C-N 3.26Å; A149-H151 PolarHBondContact O-N 2.93Å; H151-Q154 VanDerWaalsContact CB-CD 3.45Å; H151-Q154 HydrophobicContact CB-CG 3.92Å; H151-Q154 VanDerWaalsContact CB-NE2 3.34Å; H151-G195 PolarHBondContact N-O 3.41Å; H151-G195 VanDerWaalsContact N-O 3.13Å; H151-S198 PolarHBondContact CD2-N 2.99Å
152L89.5Confident83.3Confident97 Ų9766.6 Ų66.651%0.50838%0.377SS..SBendtrans-71.5-33.2-176.4-60.2175.6000113.5H143 S144 A149H143-L152 CarbonylContact C-O 3.55Å; H143-L152 VanDerWaalsContact CA-O 3.28Å; H143-L152 WeakPolarHBondContact CA-O 3.36Å; H143-L152 PolarHBondContact ND1-O 3.38Å; H143-L152 VanDerWaalsContact ND1-O 3.16Å; S144-L152 PolarHBondContact N-O 2.89Å; S144-L152 WeakPolarHBondContact O-CD2 3.32Å; A149-L152 HydrophobicContact CB-CD2 4.16Å
153E93.6Very high80.7Confident102 Ų10277.5 Ų77.548%0.47742%0.418SS..EExtended strand (participates in β ladder)trans-138.6127.6179.9-172.4177.3145.100110.5R141 V142R141-E153 IonicContact CZ-OE1 3.07Å; R141-E153 IonicContact CZ-OE2 2.97Å; R141-E153 IonicContact NE-OE1 3.03Å; R141-E153 PolarHBondContact NE-OE1 3.37Å; R141-E153 IonicContact NE-OE2 2.94Å; R141-E153 IonicContact NH1-OE1 3.09Å; R141-E153 IonicContact NH2-OE1 2.72Å; R141-E153 PolarHBondContact NH2-OE1 2.78Å; R141-E153 IonicContact NH2-OE2 2.66Å; R141-E153 PolarHBondContact NH2-OE2 3.42Å; V142-E153 WeakPolarHBondContact O-CA 3.19Å
154Q95.2Very high78.2Confident22 Ų2280.9 Ų80.910%0.10344%0.438CS..EExtended strand (participates in β ladder)trans-139143-177.1-51.9-164.575.700110.1R141 V142 H151 S197 S198 L199R141-Q154 CarbonylContact C-O 3.56Å; R141-Q154 WeakPolarHBondContact CA-O 3.44Å; V142-Q154 PolarHBondContact N-O 2.82Å; V142-Q154 PolarHBondContact O-N 2.83Å; H151-Q154 VanDerWaalsContact CB-CD 3.45Å; H151-Q154 HydrophobicContact CB-CG 3.92Å; H151-Q154 VanDerWaalsContact CB-NE2 3.34Å; Q154-S197 PolarHBondContact NE2-O 3.01Å; Q154-S198 VanDerWaalsContact OE1-CA 3.23Å; Q154-L199 HydrophobicContact CB-CB 4.03Å; Q154-L199 HydrophobicContact CB-CD2 4.19Å
155V95.8Very high76.3Confident83 Ų8388 Ų8850%0.50347%0.474SS..EExtended strand (participates in β ladder)trans-131.8130.7178.2-177.90000109.2R139 L140 R141R139-V155 HydrophobicContact CG-CG1 4.27Å; L140-V155 CarbonylContact O-C 3.56Å; L140-V155 WeakPolarHBondContact O-CA 3.24Å; R141-V155 HydrophobicContact CB-CG2 4.22Å; R141-V155 HydrophobicContact CG-CG2 3.92Å
156L95.2Very high74.2Confident29 Ų2995 Ų9515%0.15250%0.498CS..EExtended strand (participates in β ladder)trans-118.7132.3172-176.782000108.8R139 L140 I158 L199 A201 I244R139-L156 WeakPolarHBondContact CA-O 3.38Å; L140-L156 HydrophobicContact CB-CB 4.42Å; L140-L156 PolarHBondContact N-O 3.1Å; L140-L156 PolarHBondContact O-N 2.78Å; L156-I158 HydrophobicContact CD2-CD1 4.36Å; L156-I158 HydrophobicContact CD2-CG1 4.05Å; L156-I158 HydrophobicContact CG-CG1 4.45Å; L156-L199 HydrophobicContact CB-CD2 3.62Å; L156-L199 HydrophobicContact CB-CG 4.28Å; L156-A201 HydrophobicContact CD1-CB 3.93Å; L156-A201 HydrophobicContact CD2-CB 3.51Å; L156-A201 HydrophobicContact CG-CB 4.33Å; L156-I244 HydrophobicContact CD2-CD1 4.02Å; L156-I244 HydrophobicContact CD2-CG1 3.97Å; L156-I244 HydrophobicContact CD2-CG2 3.94Å
157T93.4Very high72.2Confident81 Ų8197.5 Ų97.550%0.49753%0.525SS..EExtended strand (participates in β ladder)trans-116.5125.5170.6-57.40000108.8R138R138-T157 CarbonylContact O-C 3.56Å; R138-T157 WeakPolarHBondContact O-CA 3.49Å
158I88.6Confident70.5Confident18 Ų1893.8 Ų93.89%0.09251%0.508CS..  trans-97.9108.1-179.8-55.2164.5000107.4L137 R138 L156 H184 T242 I244L137-I158 HydrophobicContact CD2-CD1 4.24Å; L137-I158 HydrophobicContact CG-CD1 4.36Å; L137-I158 WeakPolarHBondContact O-CD1 3.39Å; R138-I158 PolarHBondContact O-N 3.11Å; L156-I158 HydrophobicContact CD2-CD1 4.36Å; L156-I158 HydrophobicContact CD2-CG1 4.05Å; L156-I158 HydrophobicContact CG-CG1 4.45Å; I158-H184 VanDerWaalsContact CG2-CE1 3.41Å; I158-H184 WeakPolarHBondContact CG2-CE1 3.28Å; I158-T242 HydrophobicContact CD1-CG2 3.81Å; I158-T242 HydrophobicContact CG1-CG2 4.22Å; I158-T242 HydrophobicContact CG2-CG2 4.43Å; I158-I244 HydrophobicContact CD1-CD1 4.04Å
159S75.2Confident68.4Low108 Ų10892.7 Ų92.776%0.75550%0.498SS*.  trans-91.5112.4178.1-58.30000109.2
160S63.5Low66Low57 Ų5794.9 Ų94.940%0.39951%0.512SS..  trans-84.8138166.9-176.80000109.4S162S160-S162 PolarHBondContact O-N 3.01Å; S160-S162 PolarHBondContact OG-N 3.49Å
161R53.9Low63.7Low253 Ų25393.4 Ų93.496%0.95550%0.499SS*.SBendtrans-69.6-8.1178-162.7177179.4-168.6-0.2112.6R163R161-R163 PolarHBondContact O-N 3.28Å; R161-R163 VanDerWaalsContact O-N 3.11Å
162S47.4Very low61.1Low45 Ų4593.6 Ų93.632%0.31551%0.508SS..  trans-67.7107.4174.8-173.90000109.9S160 D164S160-S162 PolarHBondContact O-N 3.01Å; S160-S162 PolarHBondContact OG-N 3.49Å; S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 PolarHBondContact O-N 2.84Å
163R40.2Very low58.4Low231 Ų23192.4 Ų92.487%0.87251%0.507SS*.  trans-77.676.2-179.6-171.7-163.1-65.3-168.4-0.5108.3R161R161-R163 PolarHBondContact O-N 3.28Å; R161-R163 VanDerWaalsContact O-N 3.11Å
164D39.4Very low55.5Low112 Ų11294.2 Ų94.260%0.59953%0.526SS*.  trans-155.969.6162.8-81.8-37.5000109.6S162 E166S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 PolarHBondContact O-N 2.84Å; D164-E166 VanDerWaalsContact C-N 3.3Å; D164-E166 PolarHBondContact O-N 2.77Å; D164-E166 VanDerWaalsContact O-N 3.14Å
165I48.4Very low52.7Low150 Ų15097.8 Ų97.877%0.76955%0.546SS*.THydrogen-bonded Turntrans-78.986.2165.5-60.5179.3000106.4
166E37.9Very low49.9Very low198 Ų198100.3 Ų100.393%0.92556%0.564SS**THydrogen-bonded Turntrans-179.1-15.6151.1-104.1166.8-171.800113.2D164D164-E166 VanDerWaalsContact C-N 3.3Å; D164-E166 PolarHBondContact O-N 2.77Å; D164-E166 VanDerWaalsContact O-N 3.14Å
167G36.8Very low46.9Very low64 Ų64102.8 Ų102.866%0.6659%0.588SS**  trans-104.4-10.1-171.700000118.2G169G167-G169 PolarHBondContact O-N 2.82Å
168M45.5Very low44.2Very low79 Ų79102.2 Ų102.239%0.38959%0.588SS.*  trans-86.752.1-172.7-147.691167.500112.6S181M168-S181 VanDerWaalsContact CE-CB 3.42Å
169G36.4Very low41.9Very low47 Ų47107.1 Ų107.149%0.48562%0.621SS.*  trans-83.2113151.700000106.5G167G167-G169 PolarHBondContact O-N 2.82Å
170C32.8Very low40.6Very low57 Ų57105.1 Ų105.139%0.38561%0.606SS.*  trans80.5144167.9-51.70000117.8S172C170-S172 VanDerWaalsContact CB-N 3.32Å; C170-S172 WeakPolarHBondContact CB-OG 3.4Å; C170-S172 PolarHBondContact O-N 2.9Å
171L40.1Very low40.3Very low57 Ų57103.6 Ų103.630%0.29860%0.596SS.*SBendtrans-50.441.9136.1-67.4166.3000112.7V111 P222 H224V111-L171 HydrophobicContact CG2-CD1 4.35Å; L171-P222 HydrophobicContact CD1-CB 3.64Å; L171-P222 HydrophobicContact CD1-CG 3.85Å; L171-H224 VanDerWaalsContact CB-CE1 3.5Å; L171-H224 WeakPolarHBondContact CB-CE1 3.44Å
172S33.8Very low40.7Very low75 Ų7593.5 Ų93.552%0.52456%0.562SS.*  trans-150.647-174.8-45.20000111.3C170 T174C170-S172 VanDerWaalsContact CB-N 3.32Å; C170-S172 WeakPolarHBondContact CB-OG 3.4Å; C170-S172 PolarHBondContact O-N 2.9Å; S172-T174 PolarHBondContact O-N 3.48Å
173S32.7Very low42.1Very low72 Ų7292.5 Ų92.550%0.50355%0.553SS.*  trans-81.794.7154.759.40000107.6D175S173-D175 PolarHBondContact O-N 3.31Å
174T34.2Very low44.3Very low140 Ų14082.5 Ų82.586%0.85952%0.517SS*.  trans-77.133.2167.4-38.20000110.9S172S172-T174 PolarHBondContact O-N 3.48Å
175D34.4Very low46.7Very low98 Ų9877.2 Ų77.252%0.52449%0.488SS..  trans-120.7102.7-178-148.6-13.2000109.3S173 A177 S178S173-D175 PolarHBondContact O-N 3.31Å; D175-A177 PolarHBondContact O-N 3.16Å; D175-S178 PolarHBondContact O-N 2.98Å
176P37.1Very low48.8Very low136 Ų13670 Ų7088%0.88345%0.451SS*.THydrogen-bonded Turntrans-69.13.2-173.928.1-34.5000114
177A32.1Very low51.5Low80 Ų8061.7 Ų61.766%0.66141%0.412SS*.THydrogen-bonded Turntrans-106.44.5-177.700000114.8D175 P179D175-A177 PolarHBondContact O-N 3.16Å; A177-P179 VanDerWaalsContact O-CD 3.27Å; A177-P179 WeakPolarHBondContact O-CD 3.43Å
178S38.3Very low54.3Low70 Ų7058.7 Ų58.749%0.4938%0.381SS..  trans-106.995-177.9-56.20000112.1D175 S180D175-S178 PolarHBondContact O-N 2.98Å; S178-S180 PolarHBondContact O-N 3.36Å
179P40.4Very low56.6Low121 Ų12155.4 Ų55.479%0.78637%0.365SS*.  trans-88.534.5-165.836.8-38.3000115.8A177A177-P179 VanDerWaalsContact O-CD 3.27Å; A177-P179 WeakPolarHBondContact O-CD 3.43Å
180S46.4Very low59.3Low65 Ų6553.2 Ų53.246%0.45534%0.342SS..  trans-158.559.818064.40000116.6S178 V182S178-S180 PolarHBondContact O-N 3.36Å; S180-V182 PolarHBondContact O-N 2.87Å
181S57.3Low62Low26 Ų2651.5 Ų51.518%0.18233%0.331CS..  trans-87.890.7164.244.60000110.2M168 L183 Q237M168-S181 VanDerWaalsContact CE-CB 3.42Å; S181-L183 PolarHBondContact O-N 3.23Å; S181-Q237 WeakPolarHBondContact O-CG 3.48Å; S181-Q237 PolarHBondContact OG-NE2 3.25Å
182V64.1Low64.5Low40 Ų4048.9 Ų48.924%0.24232%0.317CS..  trans-65.8122.2174.2175.50000109.3S180 H184 D238 L240S180-V182 PolarHBondContact O-N 2.87Å; V182-H184 PolarHBondContact O-N 3.45Å; V182-D238 WeakPolarHBondContact CA-O 3.45Å; V182-D238 WeakPolarHBondContact CG1-O 3.43Å; V182-D238 HydrophobicContact CG2-CB 4.36Å; V182-L240 HydrophobicContact CG1-CB 4.04Å
183L76.7Confident67.2Low24 Ų2445.3 Ų45.313%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-73.5114.8174.3179.968.6000109F135 S181 V185 M209 D238 C239 L240F135-L183 HydrophobicContact CD1-CD1 4.04Å; F135-L183 HydrophobicContact CE1-CD1 4.44Å; S181-L183 PolarHBondContact O-N 3.23Å; L183-V185 HydrophobicContact CD2-CG2 4.28Å; L183-V185 HydrophobicContact CG-CG2 4.14Å; L183-M209 HydrophobicContact CD2-CB 4.08Å; L183-M209 HydrophobicContact CD2-CG 3.8Å; L183-D238 PolarHBondContact N-O 3.02Å; L183-C239 CarbonylContact O-C 3.48Å; L183-C239 VanDerWaalsContact O-CA 3.28Å; L183-C239 WeakPolarHBondContact O-CA 3.44Å; L183-C239 PolarHBondContact O-SG 3.22Å; L183-L240 PolarHBondContact O-N 3.05Å
184H86Confident69.9Low22 Ų2242.5 Ų42.510%0.10227%0.272CS..EExtended strand (participates in β ladder)trans-103.7118.1177.6-177.2-158.7000110.8F135 G136 L137 I158 V182 S186 L240 T242F135-H184 WeakPolarHBondContact CA-O 3.14Å; G136-H184 PolarHBondContact N-O 2.97Å; L137-H184 PolarHBondContact O-CE1 2.98Å; L137-H184 PolarHBondContact O-ND1 3.11Å; I158-H184 VanDerWaalsContact CG2-CE1 3.41Å; I158-H184 WeakPolarHBondContact CG2-CE1 3.28Å; V182-H184 PolarHBondContact O-N 3.45Å; H184-S186 PolarHBondContact NE2-OG 2.88Å; H184-L240 WeakPolarHBondContact CA-O 3.34Å; H184-L240 PolarHBondContact CD2-O 3.23Å; H184-T242 PolarHBondContact NE2-OG1 3.12Å
185V89.3Confident72.6Confident0 Ų035.9 Ų35.90%023%0.231CC..EExtended strand (participates in β ladder)trans-114.2129.2175.5-169.10000108.9L134 F135 L183 F187 L219 L240 L241 T242L134-V185 CarbonylContact O-C 3.54Å; L134-V185 WeakPolarHBondContact O-CA 3.44Å; F135-V185 HydrophobicContact CD1-CG2 3.85Å; F135-V185 HydrophobicContact CE1-CB 4.42Å; F135-V185 HydrophobicContact CE1-CG1 4.16Å; F135-V185 HydrophobicContact CE1-CG2 3.57Å; F135-V185 HydrophobicContact CZ-CG1 4.45Å; L183-V185 HydrophobicContact CD2-CG2 4.28Å; L183-V185 HydrophobicContact CG-CG2 4.14Å; V185-F187 HydrophobicContact CG1-CE2 4.25Å; V185-F187 HydrophobicContact CG1-CZ 4.17Å; V185-L219 HydrophobicContact CG1-CD1 4.17Å; V185-L240 PolarHBondContact N-O 3.46Å; V185-L241 HydrophobicContact CB-CD2 3.69Å; V185-L241 HydrophobicContact CG1-CD2 4.4Å; V185-L241 HydrophobicContact CG2-CD2 4.15Å; V185-L241 CarbonylContact O-C 3.57Å; V185-L241 WeakPolarHBondContact O-CA 3.41Å; V185-T242 PolarHBondContact O-N 3.19Å
186S93.1Very high75.2Confident0 Ų036.8 Ų36.80%024%0.235CC..EExtended strand (participates in β ladder)trans-113.9123.3176.4-65.70000110.2A133 L134 H184 T242A133-S186 CarbonylContact C-O 3.57Å; A133-S186 WeakPolarHBondContact CA-O 3.45Å; L134-S186 PolarHBondContact N-O 2.89Å; L134-S186 PolarHBondContact O-N 2.77Å; H184-S186 PolarHBondContact NE2-OG 2.88Å; S186-T242 CarbonylContact C-O 3.54Å; S186-T242 VanDerWaalsContact CA-O 3.28Å; S186-T242 WeakPolarHBondContact CA-O 3.31Å
187F94.1Very high77.7Confident23 Ų2332.7 Ų32.710%0.10121%0.21CC..EExtended strand (participates in β ladder)trans-96.1112.9170-62.1-79.6000108.5L132 A133 V185 F216 L219 L241 T242 F243 I244L132-F187 WeakPolarHBondContact O-CA 3.34Å; A133-F187 HydrophobicContact CB-CD1 4.36Å; A133-F187 HydrophobicContact CB-CE1 4.29Å; V185-F187 HydrophobicContact CG1-CE2 4.25Å; V185-F187 HydrophobicContact CG1-CZ 4.17Å; F187-F216 HydrophobicContact CZ-CD1 4.33Å; F187-F216 HydrophobicContact CZ-CE1 4.34Å; F187-L219 HydrophobicContact CE1-CD1 3.6Å; F187-L219 HydrophobicContact CZ-CD1 3.77Å; F187-L241 HydrophobicContact CE2-CD1 4.48Å; F187-L241 HydrophobicContact CE2-CD2 3.8Å; F187-T242 PolarHBondContact N-O 3.47Å; F187-F243 HydrophobicContact CB-CD1 3.99Å; F187-F243 HydrophobicContact CB-CE1 4.4Å; F187-F243 AromaticContact CD2-CD1 3.92Å; F187-F243 HydrophobicContact CD2-CD1 3.92Å; F187-F243 AromaticContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CZ 4.07Å; F187-F243 HydrophobicContact CE2-CE1 4.14Å; F187-F243 HydrophobicContact CE2-CZ 4.31Å; F187-F243 HydrophobicContact CG-CD1 4.27Å; F187-F243 HydrophobicContact CG-CE1 4.19Å; F187-I244 PolarHBondContact O-N 3.31Å
188L95.4Very high80.6Confident0 Ų031.1 Ų31.10%019%0.194CC..EExtended strand (participates in β ladder)trans-105.2119.2-179.4172.962.6000109.8L117 Y131 L132 L140 V190 V192 I244L117-L188 HydrophobicContact CD1-CD2 3.7Å; Y131-L188 WeakPolarHBondContact CA-O 3.27Å; L132-L188 HydrophobicContact CD1-CB 3.73Å; L132-L188 HydrophobicContact CD1-CD2 4.05Å; L132-L188 HydrophobicContact CD1-CG 4.37Å; L132-L188 HydrophobicContact CD2-CD2 4.2Å; L132-L188 HydrophobicContact CG-CB 3.93Å; L132-L188 HydrophobicContact CG-CD2 4.28Å; L132-L188 HydrophobicContact CG-CG 4.35Å; L132-L188 PolarHBondContact N-O 3.16Å; L132-L188 PolarHBondContact O-N 3.04Å; L140-L188 HydrophobicContact CD1-CD2 4.29Å; L140-L188 HydrophobicContact CD2-CD1 3.66Å; L140-L188 HydrophobicContact CD2-CD2 4.11Å; L188-V190 PolarHBondContact O-N 3.19Å; L188-V192 HydrophobicContact CD1-CG2 3.95Å; L188-I244 HydrophobicContact CD1-CB 3.82Å; L188-I244 HydrophobicContact CD1-CG2 3.59Å
189D94.3Very high83.3Confident10 Ų1028.9 Ų28.95%0.05318%0.176CC..EExtended strand (participates in β ladder)trans-69.4115.2162.9-176.2-2000108.9T129 Q130 Y131 S191 V192 I244T129-D189 WeakPolarHBondContact CA-OD1 3.5Å; T129-D189 WeakPolarHBondContact CG2-OD2 3.5Å; Q130-D189 WeakPolarHBondContact O-CA 3.18Å; Y131-D189 HydrophobicContact CD1-CB 4.1Å; Y131-D189 HydrophobicContact CE1-CB 3.72Å; D189-S191 PolarHBondContact O-N 2.84Å; D189-S191 VanDerWaalsContact OD1-CB 3.23Å; D189-S191 WeakPolarHBondContact OD1-CB 3.47Å; D189-S191 PolarHBondContact OD1-N 3.26Å; D189-S191 PolarHBondContact OD1-OG 2.87Å; D189-S191 VanDerWaalsContact OD1-OG 3.11Å; D189-S191 PolarHBondContact OD2-OG 2.87Å; D189-V192 VanDerWaalsContact O-CG1 3.3Å; D189-V192 WeakPolarHBondContact O-CG1 3.24Å; D189-V192 VanDerWaalsContact O-CG2 3.3Å; D189-V192 WeakPolarHBondContact O-CG2 3.35Å; D189-V192 PolarHBondContact O-N 2.88Å; D189-I244 PolarHBondContact N-O 2.85Å
190V91.6Very high85.9Confident1 Ų128.3 Ų28.31%0.00616%0.161CC..G310 helixtrans-68-14.7180-55.90000112.9I127 Q130 L132 L188 V192 L193I127-V190 HydrophobicContact CG2-CG2 3.76Å; Q130-V190 HydrophobicContact CB-CG2 3.73Å; Q130-V190 HydrophobicContact CG-CG2 4.47Å; Q130-V190 WeakPolarHBondContact O-CG2 3.28Å; Q130-V190 PolarHBondContact O-N 3.35Å; L132-V190 HydrophobicContact CD2-CG1 3.56Å; L132-V190 HydrophobicContact CG-CG1 4.09Å; L188-V190 PolarHBondContact O-N 3.19Å; V190-V192 PolarHBondContact O-N 3.04Å; V190-V192 VanDerWaalsContact O-N 3.11Å; V190-L193 WeakPolarHBondContact O-CB 3.33Å; V190-L193 PolarHBondContact O-N 2.8Å; V190-L193 VanDerWaalsContact O-N 3.12Å
191S91.1Very high88.3Confident21 Ų2127 Ų2715%0.14716%0.155CC..G310 helixtrans-62.3-16.1176.683.60000112.9D189 L193 N194D189-S191 PolarHBondContact O-N 2.84Å; D189-S191 VanDerWaalsContact OD1-CB 3.23Å; D189-S191 WeakPolarHBondContact OD1-CB 3.47Å; D189-S191 PolarHBondContact OD1-N 3.26Å; D189-S191 PolarHBondContact OD1-OG 2.87Å; D189-S191 VanDerWaalsContact OD1-OG 3.11Å; D189-S191 PolarHBondContact OD2-OG 2.87Å; S191-L193 PolarHBondContact O-N 2.8Å; S191-L193 VanDerWaalsContact O-N 3.12Å; S191-N194 WeakPolarHBondContact O-CB 3.42Å; S191-N194 VanDerWaalsContact O-CG 3.29Å; S191-N194 PolarHBondContact O-N 3.18Å; S191-N194 PolarHBondContact O-ND2 2.86Å
192V91.9Very high90Very high2 Ų231.2 Ų31.21%0.01217%0.168CC..G310 helixtrans-57.4-25.4172.3-60.20000113V142 L188 D189 V190 N194 G195 L199 Y245V142-V192 HydrophobicContact CG1-CG2 4.29Å; V142-V192 HydrophobicContact CG2-CG2 4.12Å; L188-V192 HydrophobicContact CD1-CG2 3.95Å; D189-V192 VanDerWaalsContact O-CG1 3.3Å; D189-V192 WeakPolarHBondContact O-CG1 3.24Å; D189-V192 VanDerWaalsContact O-CG2 3.3Å; D189-V192 WeakPolarHBondContact O-CG2 3.35Å; D189-V192 PolarHBondContact O-N 2.88Å; V190-V192 PolarHBondContact O-N 3.04Å; V190-V192 VanDerWaalsContact O-N 3.11Å; V192-N194 PolarHBondContact O-N 3Å; V192-G195 PolarHBondContact O-N 3.33Å; V192-L199 HydrophobicContact CB-CD1 3.99Å; V192-L199 HydrophobicContact CG1-CD1 3.68Å; V192-L199 HydrophobicContact CG2-CD1 4.35Å; V192-Y245 WeakPolarHBondContact CG1-OXT 3.33Å
193L90.9Very high91.3Very high0 Ų032.1 Ų32.10%018%0.176CC..G310 helixtrans-68.7-14.2176.1-74.5161.2000112.9L97 L103 L117 F119 I127 V142 S144 V190 S191 G195L97-L193 HydrophobicContact CD1-CD1 4.19Å; L97-L193 HydrophobicContact CD2-CD1 4.23Å; L103-L193 HydrophobicContact CD1-CD1 3.34Å; L117-L193 HydrophobicContact CB-CD2 3.91Å; F119-L193 HydrophobicContact CB-CB 4.37Å; F119-L193 HydrophobicContact CB-CD2 4.15Å; I127-L193 HydrophobicContact CD1-CB 3.49Å; I127-L193 VanDerWaalsContact CD1-CB 3.49Å; V142-L193 HydrophobicContact CG1-CD2 3.64Å; V142-L193 HydrophobicContact CG1-CG 4.19Å; S144-L193 VanDerWaalsContact CB-O 3.23Å; S144-L193 WeakPolarHBondContact CB-O 3.43Å; S144-L193 PolarHBondContact OG-O 3.4Å; V190-L193 WeakPolarHBondContact O-CB 3.33Å; V190-L193 PolarHBondContact O-N 2.8Å; V190-L193 VanDerWaalsContact O-N 3.12Å; S191-L193 PolarHBondContact O-N 2.8Å; S191-L193 VanDerWaalsContact O-N 3.12Å; L193-G195 PolarHBondContact O-N 2.78Å
194N89.4Confident91.9Very high14 Ų1433.9 Ų33.98%0.07519%0.187CC..G310 helixtrans-69.9-19.3169.3-61.8-46.3000112.3L125 I127 A149 S191 V192 L196L125-N194 PolarHBondContact O-OD1 3.02Å; I127-N194 VanDerWaalsContact CB-OD1 3.29Å; I127-N194 WeakPolarHBondContact CB-OD1 3.44Å; I127-N194 WeakPolarHBondContact CG1-OD1 3.28Å; I127-N194 PolarHBondContact N-ND2 3.34Å; I127-N194 PolarHBondContact N-OD1 2.95Å; I127-N194 PolarHBondContact O-ND2 3.16Å; A149-N194 WeakPolarHBondContact CB-O 3.41Å; S191-N194 WeakPolarHBondContact O-CB 3.42Å; S191-N194 VanDerWaalsContact O-CG 3.29Å; S191-N194 PolarHBondContact O-N 3.18Å; S191-N194 PolarHBondContact O-ND2 2.86Å; V192-N194 PolarHBondContact O-N 3Å; N194-L196 HydrophobicContact CB-CD1 3.99Å; N194-L196 HydrophobicContact CB-CG 3.83Å; N194-L196 PolarHBondContact O-N 2.82Å; N194-L196 VanDerWaalsContact O-N 3.09Å
195G89.8Confident91.9Very high1 Ų138.4 Ų38.41%0.0122%0.221CC..  trans63.214.918000000114.8P150 H151 V192 L193P150-G195 WeakPolarHBondContact CD-O 3.4Å; P150-G195 WeakPolarHBondContact CG-O 3.44Å; H151-G195 PolarHBondContact N-O 3.41Å; H151-G195 VanDerWaalsContact N-O 3.13Å; V192-G195 PolarHBondContact O-N 3.33Å; L193-G195 PolarHBondContact O-N 2.78Å
196L89.4Confident91.3Very high117 Ų11739 Ų3961%0.61323%0.227SC*.  trans-74.8-25-177.5-63.4176.3000113N194N194-L196 HydrophobicContact CB-CD1 3.99Å; N194-L196 HydrophobicContact CB-CG 3.83Å; N194-L196 PolarHBondContact O-N 2.82Å; N194-L196 VanDerWaalsContact O-N 3.09Å
197S89.2Confident90.2Very high50 Ų5042.4 Ų42.435%0.3525%0.248SC..SBendtrans-126.2155.4178.950.20000111.2Q154Q154-S197 PolarHBondContact NE2-O 3.01Å
198S93.1Very high89.2Confident46 Ų4642.6 Ų42.632%0.32225%0.252SS..  trans-65.7134167.363.60000109.9H151 Q154 K200H151-S198 PolarHBondContact CD2-N 2.99Å; Q154-S198 VanDerWaalsContact OE1-CA 3.23Å; S198-K200 PolarHBondContact O-N 3.37Å; S198-K200 VanDerWaalsContact OG-CE 3.29Å; S198-K200 WeakPolarHBondContact OG-CE 3.29Å
199L95.2Very high88Confident23 Ų2346 Ų4612%0.1227%0.269CS..  trans-62.4125.8176.7-169.464.9000110.2L140 V142 Q154 L156 V192 I244L140-L199 HydrophobicContact CD2-CD1 4.48Å; L140-L199 HydrophobicContact CD2-CD2 4.29Å; V142-L199 HydrophobicContact CG2-CD2 4.22Å; Q154-L199 HydrophobicContact CB-CB 4.03Å; Q154-L199 HydrophobicContact CB-CD2 4.19Å; L156-L199 HydrophobicContact CB-CD2 3.62Å; L156-L199 HydrophobicContact CB-CG 4.28Å; V192-L199 HydrophobicContact CB-CD1 3.99Å; V192-L199 HydrophobicContact CG1-CD1 3.68Å; V192-L199 HydrophobicContact CG2-CD1 4.35Å; L199-I244 HydrophobicContact CD1-CG2 3.63Å; L199-I244 HydrophobicContact CG-CG2 4.31Å
200K95.8Very high86.8Confident109 Ų10949.4 Ų49.447%0.47429%0.294SS..  trans-129.1153.8-179.9-70.5173.5-173173.70109.5S198 I244 Y245S198-K200 PolarHBondContact O-N 3.37Å; S198-K200 VanDerWaalsContact OG-CE 3.29Å; S198-K200 WeakPolarHBondContact OG-CE 3.29Å; K200-I244 WeakPolarHBondContact O-CA 3.15Å; K200-Y245 HydrophobicContact CB-CD2 4.27Å; K200-Y245 HydrophobicContact CB-CE1 4.28Å; K200-Y245 HydrophobicContact CB-CE2 3.78Å; K200-Y245 HydrophobicContact CD-CE2 3.98Å; K200-Y245 HydrophobicContact CG-CE2 4.5Å; K200-Y245 PolarHBondContact N-O 3.36Å; K200-Y245 PolarHBondContact O-N 2.99Å
201A96Very high86Confident39 Ų3951.3 Ų51.332%0.32231%0.305SS..EExtended strand (participates in β ladder)trans-147.9153.4169.200000111.6L156 T242 F243 I244L156-A201 HydrophobicContact CD1-CB 3.93Å; L156-A201 HydrophobicContact CD2-CB 3.51Å; L156-A201 HydrophobicContact CG-CB 4.33Å; A201-T242 HydrophobicContact CB-CG2 4.09Å; A201-F243 WeakPolarHBondContact CA-O 3.36Å; A201-F243 WeakPolarHBondContact CB-O 3.43Å; A201-I244 HydrophobicContact CB-CG1 4.07Å
202Y94.4Very high85.3Confident114 Ų11450.5 Ų50.545%0.44730%0.299SS..EExtended strand (participates in β ladder)trans-134.4149.7164.167.5-88000109.4V204 T242 F243 Y245Y202-V204 HydrophobicContact CD2-CG1 4.1Å; Y202-V204 HydrophobicContact CE2-CG1 4.26Å; Y202-T242 WeakPolarHBondContact O-CA 3.21Å; Y202-F243 HydrophobicContact CD1-CB 4.16Å; Y202-F243 HydrophobicContact CD2-CD2 4.04Å; Y202-F243 HydrophobicContact CE1-CB 3.57Å; Y202-F243 HydrophobicContact CE1-CD2 4.31Å; Y202-F243 HydrophobicContact CE1-CG 4.16Å; Y202-F243 HydrophobicContact CE2-CB 4.15Å; Y202-F243 AromaticContact CE2-CD2 3.3Å; Y202-F243 HydrophobicContact CE2-CD2 3.3Å; Y202-F243 AromaticContact CE2-CE2 3.95Å; Y202-F243 HydrophobicContact CE2-CE2 3.95Å; Y202-F243 AromaticContact CE2-CG 3.97Å; Y202-F243 HydrophobicContact CE2-CG 3.97Å; Y202-F243 AromaticContact CZ-CD2 3.45Å; Y202-F243 VanDerWaalsContact CZ-CD2 3.45Å; Y202-F243 AromaticContact CZ-CG 3.6Å; Y202-F243 PolarHBondContact N-O 3.37Å; Y202-F243 VanDerWaalsContact N-O 3.13Å; Y202-F243 PolarHBondContact O-N 3.01Å; Y202-F243 WeakPolarHBondContact OH-CD2 3.43Å; Y202-F243 WeakPolarHBondContact OH-CG 3.4Å; Y202-Y245 AromaticContact CD1-CE1 3.82Å; Y202-Y245 HydrophobicContact CD1-CE1 3.82Å; Y202-Y245 AromaticContact CE1-CE1 3.91Å; Y202-Y245 HydrophobicContact CE1-CE1 3.91Å
203S91.1Very high84.6Confident59 Ų5952.7 Ų52.741%0.41331%0.308SS..EExtended strand (participates in β ladder)trans-121.1142.8179.9-53.20000110.5L241 T242S203-L241 CarbonylContact C-O 3.53Å; S203-L241 WeakPolarHBondContact CA-O 3.02Å; S203-T242 PolarHBondContact OG-OG1 3.06Å
204V89.3Confident84Confident61 Ų6159.9 Ų59.937%0.3734%0.342SS..EExtended strand (participates in β ladder)trans-130.5137.7177.2-60.90000109.9Y202 A206 L241 F243Y202-V204 HydrophobicContact CD2-CG1 4.1Å; Y202-V204 HydrophobicContact CE2-CG1 4.26Å; V204-A206 PolarHBondContact O-N 3.25Å; V204-L241 HydrophobicContact CG2-CB 3.84Å; V204-L241 PolarHBondContact N-O 2.93Å; V204-L241 PolarHBondContact O-N 3.2Å; V204-F243 HydrophobicContact CG2-CE2 4.03Å
205S85Confident83.6Confident116 Ų11665.2 Ų65.281%0.81137%0.366SS*.EExtended strand (participates in β ladder)trans-67.7124.6166.7-620000108.3
206A76.8Confident83.2Confident14 Ų1468.6 Ų68.612%0.11638%0.381CS..EExtended strand (participates in β ladder)trans-109.8156.6-178.700000111.2V204 L212 C239 L241V204-A206 PolarHBondContact O-N 3.25Å; A206-L212 HydrophobicContact CB-CD1 4.22Å; A206-C239 HydrophobicContact CB-CB 4.08Å; A206-C239 PolarHBondContact N-O 2.97Å; A206-L241 HydrophobicContact CB-CD1 3.66Å; A206-L241 HydrophobicContact CB-CG 3.61Å
207P71.2Confident82.7Confident70 Ų7067.6 Ų67.646%0.45538%0.381SS..  trans-53.2160.4170.8-27.937.5000112.8T211P207-T211 WeakPolarHBondContact CB-OG1 3.35Å
208P72.7Confident82.4Confident27 Ų2773.7 Ų73.718%0.17540%0.404CS..  trans-54.4151.8-179.6-24.733.8000112.7S210 T211 L212 Q236 Q237P208-S210 PolarHBondContact O-N 3.4Å; P208-T211 PolarHBondContact O-N 3.29Å; P208-T211 PolarHBondContact O-OG1 3.07Å; P208-L212 PolarHBondContact O-N 3.01Å; P208-L212 VanDerWaalsContact O-N 3.17Å; P208-Q236 HydrophobicContact CB-CB 4.12Å; P208-Q236 HydrophobicContact CB-CG 4.2Å; P208-Q236 HydrophobicContact CG-CB 3.86Å; P208-Q236 HydrophobicContact CG-CG 3.92Å; P208-Q237 WeakPolarHBondContact CA-O 3.4Å
209M68.8Low81.8Confident72 Ų7272.3 Ų72.336%0.35539%0.393SS..Hα-helixtrans-46.9-40.2-175.2-178.6-80.5-126.400113.8L183 T211 L212 F213L183-M209 HydrophobicContact CD2-CB 4.08Å; L183-M209 HydrophobicContact CD2-CG 3.8Å; M209-T211 PolarHBondContact O-N 3.13Å; M209-L212 WeakPolarHBondContact O-CB 3.43Å; M209-L212 PolarHBondContact O-N 3.31Å; M209-F213 HydrophobicContact CE-CE2 4.02Å; M209-F213 HydrophobicContact CG-CD2 4.3Å; M209-F213 HydrophobicContact CG-CE2 3.72Å; M209-F213 VanDerWaalsContact O-CD2 3.31Å; M209-F213 WeakPolarHBondContact O-CD2 3.31Å; M209-F213 PolarHBondContact O-N 2.66Å; M209-F213 HydrophobicContact SD-CD2 3.64Å; M209-F213 HydrophobicContact SD-CE2 3.36Å; M209-F213 WeakPolarHBondContact SD-CE2 3.02Å
210S70.4Confident81Confident82 Ų8272.8 Ų72.857%0.57340%0.398SS*.Hα-helixtrans-57.9-34.3178.1560000113.9P208P208-S210 PolarHBondContact O-N 3.4Å
211T74.6Confident79.7Confident41 Ų4172.5 Ų72.525%0.25240%0.4SS..Hα-helixtrans-88.5-21.5176.556.60000112.7P207 P208 M209 F213 Q214 H215P207-T211 WeakPolarHBondContact CB-OG1 3.35Å; P208-T211 PolarHBondContact O-N 3.29Å; P208-T211 PolarHBondContact O-OG1 3.07Å; M209-T211 PolarHBondContact O-N 3.13Å; T211-F213 PolarHBondContact O-N 2.67Å; T211-Q214 WeakPolarHBondContact O-CB 3.49Å; T211-Q214 PolarHBondContact O-N 3.45Å; T211-H215 PolarHBondContact O-ND1 2.94Å
212L77.3Confident78.2Confident3 Ų371.4 Ų71.42%0.01639%0.39CS..Hα-helixtrans-64.4-40.6-180-165138.1000111.8A206 P208 M209 Q214 H215 F216 L219 C239 L241A206-L212 HydrophobicContact CB-CD1 4.22Å; P208-L212 PolarHBondContact O-N 3.01Å; P208-L212 VanDerWaalsContact O-N 3.17Å; M209-L212 WeakPolarHBondContact O-CB 3.43Å; M209-L212 PolarHBondContact O-N 3.31Å; L212-Q214 PolarHBondContact O-N 3.39Å; L212-H215 PolarHBondContact O-N 2.85Å; L212-F216 HydrophobicContact CD2-CD2 4.12Å; L212-F216 HydrophobicContact CG-CD2 4.09Å; L212-F216 WeakPolarHBondContact O-CD2 3.25Å; L212-F216 PolarHBondContact O-N 3.23Å; L212-L219 HydrophobicContact CD2-CD2 3.32Å; L212-C239 HydrophobicContact CD1-CB 4.04Å; L212-C239 WeakPolarHBondContact CD1-SG 3.36Å; L212-L241 HydrophobicContact CD1-CD1 4.35Å; L212-L241 HydrophobicContact CD1-CD2 3.87Å; L212-L241 HydrophobicContact CD1-CG 4.33Å
213F75.2Confident76.2Confident48 Ų4871.9 Ų71.921%0.21140%0.4CS..Hα-helixtrans-66.6-23176-73.2-71.2000114.3M209 T211 H215 F216 P217 L219 L221M209-F213 HydrophobicContact CE-CE2 4.02Å; M209-F213 HydrophobicContact CG-CD2 4.3Å; M209-F213 HydrophobicContact CG-CE2 3.72Å; M209-F213 VanDerWaalsContact O-CD2 3.31Å; M209-F213 WeakPolarHBondContact O-CD2 3.31Å; M209-F213 PolarHBondContact O-N 2.66Å; M209-F213 HydrophobicContact SD-CD2 3.64Å; M209-F213 HydrophobicContact SD-CE2 3.36Å; M209-F213 WeakPolarHBondContact SD-CE2 3.02Å; T211-F213 PolarHBondContact O-N 2.67Å; F213-H215 VanDerWaalsContact C-N 3.3Å; F213-F216 CarbonylContact O-C 3.45Å; F213-P217 WeakPolarHBondContact O-CA 3Å; F213-L219 HydrophobicContact CD1-CB 4.41Å; F213-L219 HydrophobicContact CE1-CB 3.97Å; F213-L219 HydrophobicContact CE1-CD2 4.02Å; F213-L219 HydrophobicContact CE1-CG 4.33Å; F213-L219 HydrophobicContact CZ-CD2 4.16Å; F213-L221 HydrophobicContact CD2-CD2 4.39Å; F213-L221 HydrophobicContact CE1-CD1 4.44Å; F213-L221 HydrophobicContact CE1-CD2 3.65Å; F213-L221 HydrophobicContact CE1-CG 3.65Å; F213-L221 HydrophobicContact CE2-CD2 3.5Å; F213-L221 VanDerWaalsContact CE2-CD2 3.5Å; F213-L221 HydrophobicContact CE2-CG 4.41Å; F213-L221 HydrophobicContact CZ-CD2 3.08Å; F213-L221 HydrophobicContact CZ-CG 3.63Å
214Q79.9Confident74.1Confident151 Ų15173.7 Ų73.771%0.70640%0.402SS*.Hα-helixtrans-69.6-32.6172.4-60.8179.7-16.100111.4T211 L212T211-Q214 WeakPolarHBondContact O-CB 3.49Å; T211-Q214 PolarHBondContact O-N 3.45Å; L212-Q214 PolarHBondContact O-N 3.39Å
215H80.7Confident71.5Confident127 Ų12775.9 Ų75.959%0.58842%0.417SS*.Hα-helixtrans-88.5-28.6178.7-6186.8000112.4T211 L212 F213T211-H215 PolarHBondContact O-ND1 2.94Å; L212-H215 PolarHBondContact O-N 2.85Å; F213-H215 VanDerWaalsContact C-N 3.3Å
216F80.4Confident69.1Low72 Ų7275.9 Ų75.932%0.31642%0.417SS..  trans-126.273.5-179.6-58.7-84.6000111.2F187 L212 F213 H218 L219 L241F187-F216 HydrophobicContact CZ-CD1 4.33Å; F187-F216 HydrophobicContact CZ-CE1 4.34Å; L212-F216 HydrophobicContact CD2-CD2 4.12Å; L212-F216 HydrophobicContact CG-CD2 4.09Å; L212-F216 WeakPolarHBondContact O-CD2 3.25Å; L212-F216 PolarHBondContact O-N 3.23Å; F213-F216 CarbonylContact O-C 3.45Å; F216-H218 PolarHBondContact O-N 2.98Å; F216-H218 VanDerWaalsContact O-N 3.12Å; F216-L219 HydrophobicContact CB-CB 3.97Å; F216-L219 WeakPolarHBondContact O-CB 3.33Å; F216-L219 PolarHBondContact O-N 3.12Å; F216-L219 VanDerWaalsContact O-N 3.11Å; F216-L241 HydrophobicContact CE2-CD1 4.08Å; F216-L241 HydrophobicContact CZ-CD1 4.38Å
217P79.7Confident67Low95 Ų9580.9 Ų80.962%0.61745%0.446SS*.THydrogen-bonded Turntrans-66.4-17-174.326.6-35.9000114.2F213F213-P217 WeakPolarHBondContact O-CA 3Å
218H82.4Confident65.1Low179 Ų17982.1 Ų82.183%0.82946%0.457SS*.THydrogen-bonded Turntrans-103.17.4178.8-58.6-58000113.4F216 P220F216-H218 PolarHBondContact O-N 2.98Å; F216-H218 VanDerWaalsContact O-N 3.12Å; H218-P220 WeakPolarHBondContact O-CD 3.47Å
219L81.6Confident63.3Low16 Ų1689.1 Ų89.18%0.08449%0.491CS..PPolyproline II helixtrans-65.9124.8176.6-172.674.9000109.1A133 F135 V185 F187 L212 F213 F216 L221A133-L219 HydrophobicContact CB-CD1 3.72Å; F135-L219 HydrophobicContact CZ-CD2 4.31Å; F135-L219 HydrophobicContact CZ-CG 4.37Å; V185-L219 HydrophobicContact CG1-CD1 4.17Å; F187-L219 HydrophobicContact CE1-CD1 3.6Å; F187-L219 HydrophobicContact CZ-CD1 3.77Å; L212-L219 HydrophobicContact CD2-CD2 3.32Å; F213-L219 HydrophobicContact CD1-CB 4.41Å; F213-L219 HydrophobicContact CE1-CB 3.97Å; F213-L219 HydrophobicContact CE1-CD2 4.02Å; F213-L219 HydrophobicContact CE1-CG 4.33Å; F213-L219 HydrophobicContact CZ-CD2 4.16Å; F216-L219 HydrophobicContact CB-CB 3.97Å; F216-L219 WeakPolarHBondContact O-CB 3.33Å; F216-L219 PolarHBondContact O-N 3.12Å; F216-L219 VanDerWaalsContact O-N 3.11Å; L219-L221 PolarHBondContact O-N 2.69Å
220P76.9Confident61.7Low34 Ų3492.9 Ų92.922%0.22151%0.513CS..PPolyproline II helixtrans-62.5128.3175.425.1-33.5000109.8G109 A133 F135 H218G109-P220 VanDerWaalsContact CA-CG 3.41Å; A133-P220 HydrophobicContact CB-CG 4.01Å; F135-P220 VanDerWaalsContact CE2-O 3.29Å; F135-P220 WeakPolarHBondContact CE2-O 3.3Å; F135-P220 WeakPolarHBondContact CZ-O 3.42Å; H218-P220 WeakPolarHBondContact O-CD 3.47Å
221L69.3Low60Low102 Ų10295.9 Ų95.953%0.53452%0.518SS..PPolyproline II helixtrans-77.9131.7173.5-82.4156.2000109.2F213 L219 L223F213-L221 HydrophobicContact CD2-CD2 4.39Å; F213-L221 HydrophobicContact CE1-CD1 4.44Å; F213-L221 HydrophobicContact CE1-CD2 3.65Å; F213-L221 HydrophobicContact CE1-CG 3.65Å; F213-L221 HydrophobicContact CE2-CD2 3.5Å; F213-L221 VanDerWaalsContact CE2-CD2 3.5Å; F213-L221 HydrophobicContact CE2-CG 4.41Å; F213-L221 HydrophobicContact CZ-CD2 3.08Å; F213-L221 HydrophobicContact CZ-CG 3.63Å; L219-L221 PolarHBondContact O-N 2.69Å; L221-L223 PolarHBondContact O-N 2.86Å
222P63.8Low58.2Low16 Ų1698.8 Ų98.810%0.10454%0.538CS..  trans-67.2104.716926.8-29.7000107.9V111 F135 L171 H224V111-P222 HydrophobicContact CG2-CB 4.13Å; F135-P222 HydrophobicContact CD1-CG 4.25Å; F135-P222 HydrophobicContact CD2-CB 4.36Å; F135-P222 HydrophobicContact CD2-CG 4.44Å; F135-P222 HydrophobicContact CE1-CG 4.18Å; F135-P222 HydrophobicContact CE2-CG 4.37Å; F135-P222 HydrophobicContact CG-CG 4.39Å; F135-P222 HydrophobicContact CZ-CG 4.26Å; L171-P222 HydrophobicContact CD1-CB 3.64Å; L171-P222 HydrophobicContact CD1-CG 3.85Å; P222-H224 PolarHBondContact O-N 3.17Å
223L52.7Low56.4Low124 Ų124104.9 Ų104.965%0.64958%0.577SS**  trans-54.3107-176.3-70.8166000111.1T83 R88 L221T83-L223 HydrophobicContact CG2-CD1 4.08Å; R88-L223 PolarHBondContact NH2-O 3.01Å; L221-L223 PolarHBondContact O-N 2.86Å
224H47.8Very low55.1Low98 Ų98108.8 Ų108.845%0.45460%0.596SS.*  trans-72.9140.9169.8-85-90.7000110.3L171 P222 S226L171-H224 VanDerWaalsContact CB-CE1 3.5Å; L171-H224 WeakPolarHBondContact CB-CE1 3.44Å; P222-H224 PolarHBondContact O-N 3.17Å; H224-S226 PolarHBondContact O-N 3.04Å
225P34.4Very low53.8Low107 Ų107106.5 Ų106.570%0.69559%0.594SS**  trans-66.9100.6156.527-27.2000108T227P225-T227 PolarHBondContact O-N 3.3Å
226S34.1Very low52.6Low116 Ų116108 Ų10881%0.81160%0.602SS**  trans21.694.7160.253.70000117H224H224-S226 PolarHBondContact O-N 3.04Å
227T31.9Very low51.7Low119 Ų119107.2 Ų107.273%0.7360%0.599SS**  trans-91.1126.2152.529.90000109P225P225-T227 PolarHBondContact O-N 3.3Å
228S31.9Very low51.2Low96 Ų96108 Ų10867%0.67160%0.598SS**  trans-56.8148.6-178.749.70000113D230S228-D230 PolarHBondContact O-N 2.8Å
229L36.1Very low51Low173 Ų17399.7 Ų99.791%0.90656%0.56SS**THydrogen-bonded Turntrans-64.215.5-170.8-154.3123.9000116.8
230D34.2Very low51.2Low152 Ų152100 Ų10081%0.81356%0.562SS**THydrogen-bonded Turntrans-124.616.5-167.3-84.1-33.1000115.6S228S228-D230 PolarHBondContact O-N 2.8Å
231Q35.6Very low51.8Low144 Ų14498.9 Ų98.967%0.67355%0.554SS**PPolyproline II helixtrans-98.3133.6177.7-148.4154.8-6100111.8
232P35.5Very low53Low102 Ų10294 Ų9466%0.66253%0.528SS*.PPolyproline II helixtrans-57.4154176.822.9-33.1000111.2E234P232-E234 PolarHBondContact O-N 2.87Å
233P40Very low54.5Low131 Ų13195.5 Ų95.585%0.85153%0.533SS*.PPolyproline II helixtrans-55.3118.2-175.121.6-31.9000110.2
234E48.8Very low56.6Low130 Ų13089.6 Ų89.661%0.60750%0.502SS*.PPolyproline II helixtrans-54.5150.8177.2-87.3-159.6140.400111.3P232 Q236P232-E234 PolarHBondContact O-N 2.87Å; E234-Q236 PolarHBondContact O-N 3.31Å
235P51.4Low58.7Low103 Ų10389.8 Ų89.867%0.66950%0.5SS*.PPolyproline II helixtrans-54.1138174.423.6-32.5000110Q237P235-Q237 PolarHBondContact O-N 3.06Å
236Q56.2Low60Low159 Ų15988.9 Ų88.974%0.74349%0.49SS*.  trans-48.6101.8180-77.6166.4-26.400110.5P208 E234 D238P208-Q236 HydrophobicContact CB-CB 4.12Å; P208-Q236 HydrophobicContact CB-CG 4.2Å; P208-Q236 HydrophobicContact CG-CB 3.86Å; P208-Q236 HydrophobicContact CG-CG 3.92Å; E234-Q236 PolarHBondContact O-N 3.31Å; Q236-D238 PolarHBondContact O-N 3.45Å; Q236-D238 VanDerWaalsContact O-N 3.16Å
237Q61.3Low61.3Low55 Ų5587.5 Ų87.526%0.25747%0.473SS..  trans-68.6112.4173.7-91.8171.4-17.700108.8S181 P208 P235 C239S181-Q237 WeakPolarHBondContact O-CG 3.48Å; S181-Q237 PolarHBondContact OG-NE2 3.25Å; P208-Q237 WeakPolarHBondContact CA-O 3.4Å; P235-Q237 PolarHBondContact O-N 3.06Å; Q237-C239 PolarHBondContact O-N 3.11Å
238D69.1Low63Low113 Ų11385.7 Ų85.760%0.60446%0.459SS*.  trans-54.9135.2167.2-75.5-22.4000109.1V182 L183 Q236V182-D238 WeakPolarHBondContact CA-O 3.45Å; V182-D238 WeakPolarHBondContact CG1-O 3.43Å; V182-D238 HydrophobicContact CG2-CB 4.36Å; L183-D238 PolarHBondContact N-O 3.02Å; Q236-D238 PolarHBondContact O-N 3.45Å; Q236-D238 VanDerWaalsContact O-N 3.16Å
239C78.1Confident64.8Low4 Ų485.1 Ų85.13%0.02745%0.446CS..EExtended strand (participates in β ladder)trans-110.4139178.8-172.80000110.4L183 A206 L212 Q237L183-C239 CarbonylContact O-C 3.48Å; L183-C239 VanDerWaalsContact O-CA 3.28Å; L183-C239 WeakPolarHBondContact O-CA 3.44Å; L183-C239 PolarHBondContact O-SG 3.22Å; A206-C239 HydrophobicContact CB-CB 4.08Å; A206-C239 PolarHBondContact N-O 2.97Å; L212-C239 HydrophobicContact CD1-CB 4.04Å; L212-C239 WeakPolarHBondContact CD1-SG 3.36Å; Q237-C239 PolarHBondContact O-N 3.11Å
240L86.1Confident66.6Low23 Ų2379.6 Ų79.612%0.1242%0.418CS..EExtended strand (participates in β ladder)trans-109.2121.2168.8-173.669.6000108V182 L183 H184 V185V182-L240 HydrophobicContact CG1-CB 4.04Å; L183-L240 PolarHBondContact O-N 3.05Å; H184-L240 WeakPolarHBondContact CA-O 3.34Å; H184-L240 PolarHBondContact CD2-O 3.23Å; V185-L240 PolarHBondContact N-O 3.46Å
241L90Very high68.7Low9 Ų974.8 Ų74.85%0.04739%0.391CS..EExtended strand (participates in β ladder)trans-99.3133.4170.2-63.9-179000108.9V185 F187 S203 V204 A206 L212 F216 F243V185-L241 HydrophobicContact CB-CD2 3.69Å; V185-L241 HydrophobicContact CG1-CD2 4.4Å; V185-L241 HydrophobicContact CG2-CD2 4.15Å; V185-L241 CarbonylContact O-C 3.57Å; V185-L241 WeakPolarHBondContact O-CA 3.41Å; F187-L241 HydrophobicContact CE2-CD1 4.48Å; F187-L241 HydrophobicContact CE2-CD2 3.8Å; S203-L241 CarbonylContact C-O 3.53Å; S203-L241 WeakPolarHBondContact CA-O 3.02Å; V204-L241 HydrophobicContact CG2-CB 3.84Å; V204-L241 PolarHBondContact N-O 2.93Å; V204-L241 PolarHBondContact O-N 3.2Å; A206-L241 HydrophobicContact CB-CD1 3.66Å; A206-L241 HydrophobicContact CB-CG 3.61Å; L212-L241 HydrophobicContact CD1-CD1 4.35Å; L212-L241 HydrophobicContact CD1-CD2 3.87Å; L212-L241 HydrophobicContact CD1-CG 4.33Å; F216-L241 HydrophobicContact CE2-CD1 4.08Å; F216-L241 HydrophobicContact CZ-CD1 4.38Å; L241-F243 HydrophobicContact CB-CE2 4.02Å; L241-F243 HydrophobicContact CB-CZ 4.42Å; L241-F243 HydrophobicContact CD1-CZ 4.48Å
242T93.4Very high71.1Confident0 Ų069.9 Ų69.90%037%0.371CS..EExtended strand (participates in β ladder)trans-123.9128.8173.7-59.20000109.6I158 H184 V185 S186 F187 A201 Y202 S203 I244I158-T242 HydrophobicContact CD1-CG2 3.81Å; I158-T242 HydrophobicContact CG1-CG2 4.22Å; I158-T242 HydrophobicContact CG2-CG2 4.43Å; H184-T242 PolarHBondContact NE2-OG1 3.12Å; V185-T242 PolarHBondContact O-N 3.19Å; S186-T242 CarbonylContact C-O 3.54Å; S186-T242 VanDerWaalsContact CA-O 3.28Å; S186-T242 WeakPolarHBondContact CA-O 3.31Å; F187-T242 PolarHBondContact N-O 3.47Å; A201-T242 HydrophobicContact CB-CG2 4.09Å; Y202-T242 WeakPolarHBondContact O-CA 3.21Å; S203-T242 PolarHBondContact OG-OG1 3.06Å; T242-I244 HydrophobicContact CG2-CD1 4.5Å; T242-I244 HydrophobicContact CG2-CG1 3.97Å
243F95.3Very high73.8Confident47 Ų4767.4 Ų67.421%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-108.3125.4177.3-60.4-92.2000108.1F187 A201 Y202 V204 L241F187-F243 HydrophobicContact CB-CD1 3.99Å; F187-F243 HydrophobicContact CB-CE1 4.4Å; F187-F243 AromaticContact CD2-CD1 3.92Å; F187-F243 HydrophobicContact CD2-CD1 3.92Å; F187-F243 AromaticContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CZ 4.07Å; F187-F243 HydrophobicContact CE2-CE1 4.14Å; F187-F243 HydrophobicContact CE2-CZ 4.31Å; F187-F243 HydrophobicContact CG-CD1 4.27Å; F187-F243 HydrophobicContact CG-CE1 4.19Å; A201-F243 WeakPolarHBondContact CA-O 3.36Å; A201-F243 WeakPolarHBondContact CB-O 3.43Å; Y202-F243 HydrophobicContact CD1-CB 4.16Å; Y202-F243 HydrophobicContact CD2-CD2 4.04Å; Y202-F243 HydrophobicContact CE1-CB 3.57Å; Y202-F243 HydrophobicContact CE1-CD2 4.31Å; Y202-F243 HydrophobicContact CE1-CG 4.16Å; Y202-F243 HydrophobicContact CE2-CB 4.15Å; Y202-F243 AromaticContact CE2-CD2 3.3Å; Y202-F243 HydrophobicContact CE2-CD2 3.3Å; Y202-F243 AromaticContact CE2-CE2 3.95Å; Y202-F243 HydrophobicContact CE2-CE2 3.95Å; Y202-F243 AromaticContact CE2-CG 3.97Å; Y202-F243 HydrophobicContact CE2-CG 3.97Å; Y202-F243 AromaticContact CZ-CD2 3.45Å; Y202-F243 VanDerWaalsContact CZ-CD2 3.45Å; Y202-F243 AromaticContact CZ-CG 3.6Å; Y202-F243 PolarHBondContact N-O 3.37Å; Y202-F243 VanDerWaalsContact N-O 3.13Å; Y202-F243 PolarHBondContact O-N 3.01Å; Y202-F243 WeakPolarHBondContact OH-CD2 3.43Å; Y202-F243 WeakPolarHBondContact OH-CG 3.4Å; V204-F243 HydrophobicContact CG2-CE2 4.03Å; L241-F243 HydrophobicContact CB-CE2 4.02Å; L241-F243 HydrophobicContact CB-CZ 4.42Å; L241-F243 HydrophobicContact CD1-CZ 4.48Å
244I96.8Very high76.7Confident1 Ų162.1 Ų62.11%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-122129.8-173.3-50.1170.1000108.9L137 L140 L156 I158 F187 L188 D189 L199 K200 A201 T242L137-I244 HydrophobicContact CD2-CD1 3.76Å; L140-I244 HydrophobicContact CD2-CD1 4.23Å; L140-I244 HydrophobicContact CD2-CG2 3.91Å; L156-I244 HydrophobicContact CD2-CD1 4.02Å; L156-I244 HydrophobicContact CD2-CG1 3.97Å; L156-I244 HydrophobicContact CD2-CG2 3.94Å; I158-I244 HydrophobicContact CD1-CD1 4.04Å; F187-I244 PolarHBondContact O-N 3.31Å; L188-I244 HydrophobicContact CD1-CB 3.82Å; L188-I244 HydrophobicContact CD1-CG2 3.59Å; D189-I244 PolarHBondContact N-O 2.85Å; L199-I244 HydrophobicContact CD1-CG2 3.63Å; L199-I244 HydrophobicContact CG-CG2 4.31Å; K200-I244 WeakPolarHBondContact O-CA 3.15Å; A201-I244 HydrophobicContact CB-CG1 4.07Å; T242-I244 HydrophobicContact CG2-CD1 4.5Å; T242-I244 HydrophobicContact CG2-CG1 3.97Å
245Y93.6Very high79.2Confident101 Ų10155.9 Ų55.940%0.39628%0.28SS..  trans-159.10-174.461.5-86.4000112.5V192 K200 Y202V192-Y245 WeakPolarHBondContact CG1-OXT 3.33Å; K200-Y245 HydrophobicContact CB-CD2 4.27Å; K200-Y245 HydrophobicContact CB-CE1 4.28Å; K200-Y245 HydrophobicContact CB-CE2 3.78Å; K200-Y245 HydrophobicContact CD-CE2 3.98Å; K200-Y245 HydrophobicContact CG-CE2 4.5Å; K200-Y245 PolarHBondContact N-O 3.36Å; K200-Y245 PolarHBondContact O-N 2.99Å; Y202-Y245 AromaticContact CD1-CE1 3.82Å; Y202-Y245 HydrophobicContact CD1-CE1 3.82Å; Y202-Y245 AromaticContact CE1-CE1 3.91Å; Y202-Y245 HydrophobicContact CE1-CE1 3.91Å

Retrieved 245 of 245 residues in 345.4 ms (Link to these results)