A0A096MTT3_PAPAN Loading...

ELAV-like protein

AlphaFold DB (H9FQY9), UniProt , Accession A0A096MTT3, Species PAPAN (Papio anubis, Olive baboon), Gene ELAVL4, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low35.8Very low240 Ų240150.6 Ų150.6100%1.18280%0.8SS**  0104.30-173.1172.2-174.100106
2V39.2Very low35.9Very low127 Ų127148.2 Ų148.277%0.7779%0.794SS**  cis-132.8177.77.2-1780000110
3M34.3Very low36.2Very low163 Ų163145.8 Ų145.880%0.80380%0.797SS**  trans-59.8141.5-174.1-63.7170.8-157.600113.5
4I35.5Very low36Very low147 Ų147146.3 Ų146.375%0.75480%0.798SS**  65.5134.864.1-55.5163000111.7
5I34.6Very low35.5Very low143 Ų143141.5 Ų141.573%0.73380%0.796SS**  cis166.2139.3-28-94.5160.1000106.4
6S32.3Very low36.5Very low95 Ų95139.7 Ų139.766%0.66479%0.792SS**  trans46.5138.2160.6-62.70000124.9
7T33.8Very low36.4Very low135 Ų135139 Ų13983%0.82879%0.792SS**  trans173.3144.2153.124.30000107.5
8M33.6Very low36.2Very low154 Ų154136.3 Ų136.376%0.75978%0.783SS**  cis60.4144.4-13.671.7-179.964.700118.5
9E34.3Very low35.9Very low174 Ų174137.4 Ų137.481%0.81379%0.786SS**  cis-133175.710.3-93.7-168.889.400112.5
10P47.7Very low35.8Very low104 Ų104136.7 Ų136.768%0.67578%0.784SS**  trans-91.5167.5167.738.4-35.4000113.1
11Q31.9Very low35.7Very low175 Ų175134.6 Ų134.682%0.81878%0.778SS**  trans-172.9175.2145.8-105-43.9-41.400114.3
12V37.2Very low35.6Very low121 Ų121130.9 Ų130.973%0.73376%0.763SS**  trans-101.7160-172.1-175.50000112.7
13S39.6Very low35.2Very low118 Ų118128.3 Ų128.383%0.82576%0.762SS**  trans-147.9155.2163.2-171.10000112.7
14N32.9Very low35.9Very low152 Ų152126.3 Ų126.381%0.81376%0.762SS**  trans-145.5106.8-166.1-118.9-14.6000113.6
15G28.6Very low35.9Very low75 Ų75124.7 Ų124.777%0.77376%0.763SS**  trans59.4-164.7163.300000118.1
16P52.2Low36Very low112 Ų112123 Ų12373%0.72776%0.764SS**  cis-137.1-171.6-15.842.2-25.6000114.4
17T34.8Very low36.1Very low128 Ų128125.4 Ų125.479%0.78577%0.77SS**  trans64.3153.4158.2510000120.3
18S32.2Very low36.2Very low91 Ų91124.1 Ų124.164%0.63676%0.757SS**  cis-175.9146.6-27.852.90000110.1
19N30.9Very low36.3Very low156 Ų156126.7 Ų126.783%0.83476%0.759SS**  trans-177144.8134.8-95.9-12.5000116.4
20T32.8Very low36.3Very low123 Ų123125.9 Ų125.976%0.75576%0.76SS**  trans-43.9170.3162.43.20000116.2
21S35.4Very low36Very low94 Ų94126.3 Ų126.366%0.65776%0.764SS**  cis-164.7151.216.747.90000116.4
22N32.8Very low36.2Very low161 Ų161123.1 Ų123.186%0.86176%0.759SS**  trans45.7126.9138.3-57.8-10.8000123.7
23G32.5Very low36.1Very low74 Ų74123 Ų12376%0.76376%0.763SS**  trans-175.414015700000111.7
24P48.3Very low36Very low121 Ų121122.2 Ų122.279%0.78676%0.755SS**  trans-126157.5-15141.2-27.8000119.8
25S34.9Very low36.3Very low112 Ų112123.1 Ų123.178%0.78376%0.757SS**  trans60.8123.3144.1-61.80000123
26S36.4Very low36.6Very low109 Ų109127.7 Ų127.776%0.76276%0.758SS**  177130.2107.4-77.90000115
27N36.1Very low36.1Very low145 Ų145128.4 Ų128.478%0.77576%0.761SS**  trans33.7144140.1-67.5-18.9000121.9
28N35.3Very low35.9Very low107 Ų107124.7 Ų124.757%0.57275%0.747SS**  cis-166158.815.4-133.7-31.4000113.7
29R35Very low36.3Very low208 Ų208125.2 Ų125.279%0.78576%0.757SS**  trans62.4126.6150.8-71.2158.8-163-175.91.7122
30N35.3Very low36.6Very low158 Ų158123.6 Ų123.685%0.84575%0.753SS**  trans50.3141.9132.3-81.815.8000121.6
31C40.6Very low37.2Very low112 Ų112123.1 Ų123.176%0.75775%0.75SS**  cis-154.4-153.4551.40000112.1
32P37.4Very low37.8Very low108 Ų108122.4 Ų122.470%0.70174%0.739SS**PPolyproline II helixtrans-85.2158.8-134.537-23.6000114.5P34P32-P34 VanDerWaalsContact O-CD 3.28Å; P32-P34 WeakPolarHBondContact O-CD 3.36Å
33S34.2Very low38.7Very low118 Ų118119.8 Ų119.883%0.82573%0.725SS**PPolyproline II helixtrans-59.7119.2172.3-51.80000111.8M35S33-M35 PolarHBondContact O-N 2.62Å
34P37.4Very low40Very low102 Ų102119.2 Ų119.266%0.66271%0.709SS**PPolyproline II helixtrans-72.3122.3158.3-1.920.1000107P32 Q36P32-P34 VanDerWaalsContact O-CD 3.28Å; P32-P34 WeakPolarHBondContact O-CD 3.36Å; P34-Q36 HydrophobicContact CB-CG 4.32Å; P34-Q36 PolarHBondContact O-N 2.76Å
35M39.8Very low41Very low171 Ų171117.7 Ų117.784%0.84269%0.69SS**  trans-71.279.3171-171.5177.978.600108.8S33 T37S33-M35 PolarHBondContact O-N 2.62Å; M35-T37 PolarHBondContact O-N 3.43Å
36Q34.6Very low43.4Very low171 Ų171113.1 Ų113.180%0.79966%0.658SS**  trans-71.396.5177.5-74.5-1674.300109.9P34 G38P34-Q36 HydrophobicContact CB-CG 4.32Å; P34-Q36 PolarHBondContact O-N 2.76Å; Q36-G38 PolarHBondContact O-N 3.18Å
37T41Very low45.8Very low128 Ų128109.6 Ų109.679%0.78563%0.631SS**  trans-63.564.7152.933.30000110.1M35 A39M35-T37 PolarHBondContact O-N 3.43Å; T37-A39 PolarHBondContact O-N 2.98Å
38G31.4Very low48.4Very low49 Ų49102.7 Ų102.751%0.50559%0.594SS.*  trans-71.291172.800000110.1Q36 T40Q36-G38 PolarHBondContact O-N 3.18Å; G38-T40 VanDerWaalsContact C-N 3.29Å; G38-T40 PolarHBondContact O-N 3.13Å
39A41.1Very low51Low103 Ų10399.4 Ų99.485%0.85158%0.576SS**  trans-69.882.5176.800000111T37 T41T37-A39 PolarHBondContact O-N 2.98Å; A39-T41 PolarHBondContact O-N 3.22Å
40T36.3Very low53.7Low121 Ų12189.5 Ų89.574%0.74254%0.538SS*.  trans-80.980-178.7490000112.2G38 D42G38-T40 VanDerWaalsContact C-N 3.29Å; G38-T40 PolarHBondContact O-N 3.13Å; T40-D42 PolarHBondContact O-N 3.27Å
41T45.1Very low56.3Low114 Ų11484.2 Ų84.270%0.69951%0.51SS*.  trans47.367.5153.657.70000116.2A39 D43A39-T41 PolarHBondContact O-N 3.22Å; T41-D43 WeakPolarHBondContact CA-OD2 3.27Å
42D48Very low58.5Low79 Ų7986 Ų8642%0.42250%0.502SS..  trans-95.711.9173.4-142.9-127.1000113.9T40 S44 K45T40-D42 PolarHBondContact O-N 3.27Å; D42-S44 PolarHBondContact O-N 3.29Å; D42-K45 PolarHBondContact O-N 3.07Å; D42-K45 WeakPolarHBondContact OD1-CD 3.47Å; D42-K45 WeakPolarHBondContact OD1-CG 3.2Å; D42-K45 IonicContact OD1-NZ 2.63Å; D42-K45 PolarHBondContact OD1-NZ 3.3Å; D42-K45 IonicContact OD2-NZ 2.71Å; D42-K45 PolarHBondContact OD2-NZ 3.06Å
43D53.1Low60.9Low105 Ų10580.8 Ų80.856%0.56147%0.468SS*.Hα-helixtrans-55.2-13.8177.9-48.5-95.2000114.1T41 K45 T46 N47T41-D43 WeakPolarHBondContact CA-OD2 3.27Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-T46 PolarHBondContact O-OG1 3.43Å; D43-N47 PolarHBondContact O-ND2 2.92Å
44S58.9Low63.3Low62 Ų6275.5 Ų75.543%0.43443%0.431SS..Hα-helixtrans-78.8-8.8174.3-59.70000114D42D42-S44 PolarHBondContact O-N 3.29Å
45K70.4Confident65.5Low89 Ų8976.1 Ų76.139%0.38743%0.425SS..Hα-helixtrans-104.1-29.3176.2-60.3-151.5-160.179.60114.2D42 D43 P97 A100 Y121D42-K45 PolarHBondContact O-N 3.07Å; D42-K45 WeakPolarHBondContact OD1-CD 3.47Å; D42-K45 WeakPolarHBondContact OD1-CG 3.2Å; D42-K45 IonicContact OD1-NZ 2.63Å; D42-K45 PolarHBondContact OD1-NZ 3.3Å; D42-K45 IonicContact OD2-NZ 2.71Å; D42-K45 PolarHBondContact OD2-NZ 3.06Å; D43-K45 VanDerWaalsContact C-N 3.32Å; K45-P97 HydrophobicContact CB-CB 4.03Å; K45-A100 WeakPolarHBondContact O-CB 3.46Å; K45-Y121 HydrophobicContact CB-CD1 4.44Å; K45-Y121 HydrophobicContact CB-CE1 4.04Å; K45-Y121 HydrophobicContact CG-CE1 4.48Å; K45-Y121 WeakPolarHBondContact O-CD1 3.34Å; K45-Y121 VanDerWaalsContact O-CE1 3.25Å; K45-Y121 WeakPolarHBondContact O-CE1 3.37Å
46T83.8Confident67.6Low17 Ų1772.7 Ų72.710%0.10441%0.41CS..Hα-helixtrans-69.4-32.5175.3440000113D43 N93 Y94 P97D43-T46 PolarHBondContact O-OG1 3.43Å; T46-N93 WeakPolarHBondContact CB-OD1 3.45Å; T46-N93 PolarHBondContact O-OD1 3.48Å; T46-N93 PolarHBondContact OG1-OD1 3.36Å; T46-Y94 WeakPolarHBondContact CB-O 3.16Å; T46-Y94 PolarHBondContact O-N 2.94Å; T46-P97 HydrophobicContact CG2-CB 3.9Å; T46-P97 HydrophobicContact CG2-CG 4.37Å
47N88.3Confident70Confident35 Ų3565.2 Ų65.219%0.18738%0.375CS..EExtended strand (participates in β ladder)trans-83.7126.3-178.4-78.2-88.3000112.1D43 N93 A122D43-N47 PolarHBondContact O-ND2 2.92Å; N47-N93 PolarHBondContact N-OD1 2.87Å; N47-N93 PolarHBondContact ND2-OD1 2.96Å; N47-N93 PolarHBondContact OD1-OD1 3.35Å; N47-A122 HydrophobicContact CB-CB 4.1Å; N47-A122 PolarHBondContact O-N 2.82Å
48L89.8Confident72.2Confident0 Ų061.4 Ų61.40%035%0.352CS..EExtended strand (participates in β ladder)trans-118147.2175.5-57.5-169.8000112.5F91 V92 Y94 A100 A103 I104 V119 S120 Y121 A122L48-F91 WeakPolarHBondContact O-CA 3.46Å; L48-V92 PolarHBondContact N-O 2.88Å; L48-V92 PolarHBondContact O-N 3.33Å; L48-Y94 HydrophobicContact CD1-CD2 4.21Å; L48-Y94 HydrophobicContact CD1-CE2 3.75Å; L48-Y94 HydrophobicContact CG-CD2 4.45Å; L48-Y94 HydrophobicContact CG-CE2 4.42Å; L48-A100 HydrophobicContact CD1-CB 4.31Å; L48-A100 HydrophobicContact CD2-CB 3.96Å; L48-A100 HydrophobicContact CG-CB 4.06Å; L48-A103 HydrophobicContact CD1-CB 3.81Å; L48-I104 HydrophobicContact CD1-CG1 4.2Å; L48-I104 HydrophobicContact CD2-CD1 3.59Å; L48-I104 HydrophobicContact CD2-CG1 3.69Å; L48-V119 HydrophobicContact CB-CG1 4.48Å; L48-V119 HydrophobicContact CD1-CG1 3.75Å; L48-S120 CarbonylContact C-O 3.53Å; L48-S120 WeakPolarHBondContact CA-O 3.44Å; L48-Y121 HydrophobicContact CD2-CD1 3.81Å; L48-Y121 HydrophobicContact CD2-CE1 4.25Å; L48-A122 VanDerWaalsContact C-CB 3.47Å
49I90.5Very high74.8Confident38 Ų3862.3 Ų62.320%0.19534%0.343CS..EExtended strand (participates in β ladder)trans-112133.8166-171.3175.3000109.4F91 S120 A122I49-F91 HydrophobicContact CB-CD1 4.06Å; I49-F91 HydrophobicContact CB-CE1 3.99Å; I49-F91 HydrophobicContact CD1-CE1 3.74Å; I49-F91 HydrophobicContact CD1-CZ 4.03Å; I49-F91 HydrophobicContact CG1-CD1 4.09Å; I49-F91 HydrophobicContact CG1-CE1 3.76Å; I49-F91 HydrophobicContact CG1-CZ 4.32Å; I49-S120 PolarHBondContact N-O 2.76Å; I49-S120 PolarHBondContact O-N 2.87Å; I49-A122 HydrophobicContact CB-CB 3.97Å; I49-A122 HydrophobicContact CG2-CB 4.37Å
50V91.1Very high77.1Confident0 Ų063.2 Ų63.20%033%0.33CS..EExtended strand (participates in β ladder)trans-116.1114.6178.5-169.70000108.2L53 F62 F66 Y89 G90 V92 I117 K118 V119V50-L53 HydrophobicContact CB-CD1 4.48Å; V50-L53 HydrophobicContact CG1-CD1 4.39Å; V50-L53 HydrophobicContact CG1-CD2 3.59Å; V50-L53 HydrophobicContact CG1-CG 4.05Å; V50-F62 HydrophobicContact CB-CE2 3.89Å; V50-F62 HydrophobicContact CB-CZ 4.07Å; V50-F62 HydrophobicContact CG1-CE2 4.12Å; V50-F62 HydrophobicContact CG2-CE2 3.91Å; V50-F62 HydrophobicContact CG2-CZ 3.86Å; V50-F66 HydrophobicContact CB-CZ 4.22Å; V50-F66 HydrophobicContact CG1-CE2 4.18Å; V50-F66 HydrophobicContact CG1-CZ 3.79Å; V50-F66 HydrophobicContact CG2-CE1 3.7Å; V50-F66 HydrophobicContact CG2-CE2 3.96Å; V50-F66 HydrophobicContact CG2-CZ 3.39Å; V50-Y89 CarbonylContact O-C 3.56Å; V50-Y89 WeakPolarHBondContact O-CA 3.32Å; V50-Y89 WeakPolarHBondContact O-CB 3.39Å; V50-G90 PolarHBondContact N-O 3.02Å; V50-G90 PolarHBondContact O-N 2.81Å; V50-V92 HydrophobicContact CG2-CG2 4.44Å; V50-I117 HydrophobicContact CG1-CB 4.3Å; V50-I117 HydrophobicContact CG1-CD1 4.25Å; V50-K118 WeakPolarHBondContact CA-O 3.18Å; V50-V119 HydrophobicContact CG1-CG2 4.13Å; V50-V119 HydrophobicContact CG2-CG1 4.43Å; V50-V119 HydrophobicContact CG2-CG2 4.34Å
51N89.4Confident79.6Confident47 Ų4762.2 Ų62.225%0.25132%0.316SS..EExtended strand (participates in β ladder)trans-107.1162.6-179.8-66.1-77.3000111.3L53 I117 K118N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 2.63Å; N51-I117 WeakPolarHBondContact O-CA 3.4Å; N51-K118 HydrophobicContact CB-CB 4.46Å; N51-K118 PolarHBondContact N-O 3.27Å; N51-K118 PolarHBondContact O-N 2.71Å
52Y87Confident81.8Confident148 Ų14856.8 Ų56.858%0.5828%0.283SS*.SBendtrans63.130.3-179.8-49.7-75.8000114.8G88 K115 T116 K118Y52-G88 CarbonylContact C-O 3.53Å; Y52-G88 WeakPolarHBondContact CA-O 3.36Å; Y52-G88 PolarHBondContact N-O 3.25Å; Y52-K115 VanDerWaalsContact O-CB 3.23Å; Y52-K115 WeakPolarHBondContact O-CB 3.36Å; Y52-K115 WeakPolarHBondContact O-CD 3.3Å; Y52-T116 WeakPolarHBondContact CB-O 3.38Å; Y52-K118 HydrophobicContact CD2-CB 3.91Å; Y52-K118 HydrophobicContact CE2-CB 4.22Å
53L87.7Confident83.8Confident0 Ų058.8 Ų58.80%029%0.285CS..  trans-62.7144.6169.4-62.1174.2000111V50 N51 M57 F62 L77 G88 K115 I117V50-L53 HydrophobicContact CB-CD1 4.48Å; V50-L53 HydrophobicContact CG1-CD1 4.39Å; V50-L53 HydrophobicContact CG1-CD2 3.59Å; V50-L53 HydrophobicContact CG1-CG 4.05Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 2.63Å; L53-M57 HydrophobicContact CD2-SD 3.94Å; L53-F62 HydrophobicContact CD1-CD2 3.81Å; L53-F62 HydrophobicContact CD1-CE2 3.56Å; L53-F62 HydrophobicContact CD1-CZ 4.23Å; L53-F62 HydrophobicContact CD2-CD2 4.12Å; L53-F62 HydrophobicContact CD2-CE2 4.03Å; L53-F62 HydrophobicContact CG-CE2 4.43Å; L53-L77 HydrophobicContact CD1-CD1 3.47Å; L53-L77 VanDerWaalsContact CD1-CD1 3.47Å; L53-G88 PolarHBondContact N-O 3.48Å; L53-G88 WeakPolarHBondContact O-CA 3.33Å; L53-K115 WeakPolarHBondContact O-CD 3.4Å; L53-K115 PolarHBondContact O-NZ 2.89Å; L53-I117 HydrophobicContact CD2-CG2 3.93Å
54P84.9Confident85.6Confident6 Ų658 Ų584%0.03929%0.287CS..  trans-72.7147174.131.7-32.6000110.3N56 M57 L112P54-N56 VanDerWaalsContact C-N 3.31Å; P54-N56 WeakPolarHBondContact CB-OD1 3.38Å; P54-N56 PolarHBondContact O-N 3.3Å; P54-M57 HydrophobicContact CG-CB 4.22Å; P54-M57 WeakPolarHBondContact O-CB 3.3Å; P54-M57 PolarHBondContact O-N 2.9Å; P54-L112 HydrophobicContact CG-CB 4.19Å
55Q83.3Confident87.1Confident116 Ų11656.9 Ų56.954%0.54228%0.277SS..THydrogen-bonded Turntrans-71.4-26.5-166.9-71.5-173.6-4900113.9M57 S86Q55-M57 VanDerWaalsContact C-N 3.26Å; Q55-M57 PolarHBondContact O-N 2.84Å; Q55-S86 WeakPolarHBondContact O-CB 2.89Å; Q55-S86 PolarHBondContact O-OG 3.34Å
56N83.9Confident88Confident98 Ų9852.7 Ų52.752%0.52426%0.258SS..THydrogen-bonded Turntrans-73-12.4174.754.20.9000113.6P54 T58 Q113P54-N56 VanDerWaalsContact C-N 3.31Å; P54-N56 WeakPolarHBondContact CB-OD1 3.38Å; P54-N56 PolarHBondContact O-N 3.3Å; N56-T58 PolarHBondContact O-N 3.23Å; N56-Q113 PolarHBondContact ND2-NE2 3.4Å; N56-Q113 VanDerWaalsContact ND2-NE2 3.2Å; N56-Q113 PolarHBondContact ND2-OE1 2.93Å; N56-Q113 PolarHBondContact OD1-OE1 3.01Å
57M84.9Confident88.3Confident15 Ų1553.7 Ų53.77%0.07427%0.272CS..  trans-62.6132.1-176.8-157.6173-167.700111.5L53 P54 Q55 E61 F62 L65 L77 R79 S86 L112L53-M57 HydrophobicContact CD2-SD 3.94Å; P54-M57 HydrophobicContact CG-CB 4.22Å; P54-M57 WeakPolarHBondContact O-CB 3.3Å; P54-M57 PolarHBondContact O-N 2.9Å; Q55-M57 VanDerWaalsContact C-N 3.26Å; Q55-M57 PolarHBondContact O-N 2.84Å; M57-E61 HydrophobicContact CE-CB 4.1Å; M57-E61 HydrophobicContact CG-CB 4.27Å; M57-F62 HydrophobicContact CE-CB 4.31Å; M57-F62 HydrophobicContact SD-CB 4.44Å; M57-F62 HydrophobicContact SD-CD2 4.36Å; M57-L65 HydrophobicContact CE-CD2 3.99Å; M57-L77 WeakPolarHBondContact O-CD2 3.34Å; M57-R79 PolarHBondContact O-NH2 2.84Å; M57-R79 VanDerWaalsContact O-NH2 3.12Å; M57-S86 PolarHBondContact O-OG 3.05Å; M57-L112 HydrophobicContact CE-CD1 3.97Å; M57-L112 HydrophobicContact SD-CD1 4.09Å
58T87.6Confident88.4Confident48 Ų4856.2 Ų56.229%0.29429%0.293SS..  trans-80.3161.2175.365.80000110.9N56 E60 E61 F62N56-T58 PolarHBondContact O-N 3.23Å; T58-E60 WeakPolarHBondContact CB-OE2 3.41Å; T58-E60 PolarHBondContact O-N 2.75Å; T58-E61 VanDerWaalsContact CB-OE2 3.29Å; T58-E61 WeakPolarHBondContact CB-OE2 3.33Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.48Å; T58-E61 PolarHBondContact N-OE2 2.84Å; T58-E61 VanDerWaalsContact OG1-CB 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.33Å; T58-E61 WeakPolarHBondContact OG1-CG 3.19Å; T58-E61 PolarHBondContact OG1-N 2.87Å; T58-E61 PolarHBondContact OG1-OE2 3.08Å; T58-F62 WeakPolarHBondContact O-CB 3.38Å; T58-F62 PolarHBondContact O-N 3.15Å
59Q86.4Confident88.4Confident68 Ų6858 Ų5832%0.31830%0.302SS..Hα-helixtrans-74-23.1174.3-174.4169.4-96.300110.5F62 R63 L77Q59-F62 PolarHBondContact O-N 3.35Å; Q59-R63 WeakPolarHBondContact O-CB 3.2Å; Q59-R63 PolarHBondContact O-N 2.99Å; Q59-L77 HydrophobicContact CB-CB 4.18Å; Q59-L77 HydrophobicContact CG-CB 4.17Å; Q59-L77 VanDerWaalsContact OE1-N 3.14Å
60E89.3Confident88.3Confident121 Ų12156.9 Ų56.957%0.56530%0.3SS*.Hα-helixtrans-72.4-51.1-178.6-62.161-138.200109.9T58 F62 R63 S64T58-E60 WeakPolarHBondContact CB-OE2 3.41Å; T58-E60 PolarHBondContact O-N 2.75Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.34Å; E60-R63 PolarHBondContact O-N 2.53Å; E60-S64 WeakPolarHBondContact O-CB 3.17Å; E60-S64 PolarHBondContact O-N 3.28Å
61E89.3Confident88.3Confident100 Ų10063.4 Ų63.447%0.46733%0.33SS..Hα-helixtrans-59.4-41.7168.5-71161130.600111.7M57 T58 S64 L65M57-E61 HydrophobicContact CE-CB 4.1Å; M57-E61 HydrophobicContact CG-CB 4.27Å; T58-E61 VanDerWaalsContact CB-OE2 3.29Å; T58-E61 WeakPolarHBondContact CB-OE2 3.33Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.48Å; T58-E61 PolarHBondContact N-OE2 2.84Å; T58-E61 VanDerWaalsContact OG1-CB 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.33Å; T58-E61 WeakPolarHBondContact OG1-CG 3.19Å; T58-E61 PolarHBondContact OG1-N 2.87Å; T58-E61 PolarHBondContact OG1-OE2 3.08Å; E61-S64 PolarHBondContact O-N 2.82Å; E61-L65 WeakPolarHBondContact O-CB 3.31Å; E61-L65 PolarHBondContact O-N 3.43Å
62F90.4Very high88.4Confident0 Ų061.7 Ų61.70%032%0.321CS..Hα-helixtrans-64.6-43.5179.6-177.9-109.3000112V50 L53 M57 T58 Q59 E60 F66 L77 V92V50-F62 HydrophobicContact CB-CE2 3.89Å; V50-F62 HydrophobicContact CB-CZ 4.07Å; V50-F62 HydrophobicContact CG1-CE2 4.12Å; V50-F62 HydrophobicContact CG2-CE2 3.91Å; V50-F62 HydrophobicContact CG2-CZ 3.86Å; L53-F62 HydrophobicContact CD1-CD2 3.81Å; L53-F62 HydrophobicContact CD1-CE2 3.56Å; L53-F62 HydrophobicContact CD1-CZ 4.23Å; L53-F62 HydrophobicContact CD2-CD2 4.12Å; L53-F62 HydrophobicContact CD2-CE2 4.03Å; L53-F62 HydrophobicContact CG-CE2 4.43Å; M57-F62 HydrophobicContact CE-CB 4.31Å; M57-F62 HydrophobicContact SD-CB 4.44Å; M57-F62 HydrophobicContact SD-CD2 4.36Å; T58-F62 WeakPolarHBondContact O-CB 3.38Å; T58-F62 PolarHBondContact O-N 3.15Å; Q59-F62 PolarHBondContact O-N 3.35Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.34Å; F62-F66 HydrophobicContact CD2-CD2 4.02Å; F62-F66 AromaticContact CD2-CE2 3.98Å; F62-F66 HydrophobicContact CD2-CE2 3.98Å; F62-F66 AromaticContact CE2-CD2 3.83Å; F62-F66 HydrophobicContact CE2-CD2 3.83Å; F62-F66 AromaticContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CZ 4.42Å; F62-F66 HydrophobicContact CZ-CD2 4.38Å; F62-F66 HydrophobicContact CZ-CE2 4.37Å; F62-F66 WeakPolarHBondContact O-CD2 3.3Å; F62-F66 PolarHBondContact O-N 2.79Å; F62-L77 HydrophobicContact CD1-CB 4.41Å; F62-V92 HydrophobicContact CE1-CG2 3.66Å; F62-V92 HydrophobicContact CZ-CG2 3.57Å
63R90.9Very high88.4Confident121 Ų12160.7 Ų60.746%0.45732%0.322SS..Hα-helixtrans-64.4-42.7173.7-174.2175.3179.690.14.3111.3Q59 E60 G67 C75Q59-R63 WeakPolarHBondContact O-CB 3.2Å; Q59-R63 PolarHBondContact O-N 2.99Å; E60-R63 PolarHBondContact O-N 2.53Å; R63-G67 WeakPolarHBondContact O-CA 3.48Å; R63-G67 PolarHBondContact O-N 3.26Å; R63-C75 VanDerWaalsContact CD-SG 3.6Å; R63-C75 VanDerWaalsContact CG-SG 3.53Å; R63-C75 PolarHBondContact NH1-SG 3.23Å
64S90.5Very high88.2Confident88 Ų8863.6 Ų63.662%0.61534%0.342SS*.Hα-helixtrans-64.8-45.4-179.9-176.40000112.3E60 E61 F66 G67 S68E60-S64 WeakPolarHBondContact O-CB 3.17Å; E60-S64 PolarHBondContact O-N 3.28Å; E61-S64 PolarHBondContact O-N 2.82Å; S64-F66 PolarHBondContact O-N 2.87Å; S64-G67 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-N 3.35Å
65L89.9Confident88.4Confident40 Ų4064.1 Ų64.121%0.20935%0.345CS..Hα-helixtrans-58.3-50.9178.5178.263.4000111.8M57 E61 S68 L107 L110 L112 I117M57-L65 HydrophobicContact CE-CD2 3.99Å; E61-L65 WeakPolarHBondContact O-CB 3.31Å; E61-L65 PolarHBondContact O-N 3.43Å; L65-S68 PolarHBondContact O-N 3.41Å; L65-S68 PolarHBondContact O-OG 2.87Å; L65-L107 HydrophobicContact CD1-CD2 4.26Å; L65-L110 HydrophobicContact CD1-CD2 4.18Å; L65-L110 HydrophobicContact CD2-CD2 4.38Å; L65-L112 HydrophobicContact CD2-CD1 4.07Å; L65-I117 HydrophobicContact CD2-CD1 4.47Å
66F90.1Very high88.6Confident0 Ų065 Ų650%035%0.348CS..Hα-helixtrans-75.8-30.8-178.7-78.2-92.7000112.4V50 F62 S64 S68 I69 I72 V92 Y94 A103 L107 I117 V119V50-F66 HydrophobicContact CB-CZ 4.22Å; V50-F66 HydrophobicContact CG1-CE2 4.18Å; V50-F66 HydrophobicContact CG1-CZ 3.79Å; V50-F66 HydrophobicContact CG2-CE1 3.7Å; V50-F66 HydrophobicContact CG2-CE2 3.96Å; V50-F66 HydrophobicContact CG2-CZ 3.39Å; F62-F66 HydrophobicContact CD2-CD2 4.02Å; F62-F66 AromaticContact CD2-CE2 3.98Å; F62-F66 HydrophobicContact CD2-CE2 3.98Å; F62-F66 AromaticContact CE2-CD2 3.83Å; F62-F66 HydrophobicContact CE2-CD2 3.83Å; F62-F66 AromaticContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CE2 3.59Å; F62-F66 HydrophobicContact CE2-CZ 4.42Å; F62-F66 HydrophobicContact CZ-CD2 4.38Å; F62-F66 HydrophobicContact CZ-CE2 4.37Å; F62-F66 WeakPolarHBondContact O-CD2 3.3Å; F62-F66 PolarHBondContact O-N 2.79Å; S64-F66 PolarHBondContact O-N 2.87Å; F66-S68 PolarHBondContact O-N 2.81Å; F66-I69 PolarHBondContact O-N 2.97Å; F66-I72 HydrophobicContact CB-CD1 3.7Å; F66-V92 HydrophobicContact CB-CG1 4.28Å; F66-V92 HydrophobicContact CB-CG2 4.13Å; F66-V92 HydrophobicContact CD1-CG2 4.11Å; F66-V92 HydrophobicContact CD2-CG2 4.38Å; F66-V92 HydrophobicContact CG-CG2 3.92Å; F66-Y94 WeakPolarHBondContact CB-OH 3.44Å; F66-Y94 WeakPolarHBondContact CD1-OH 3.36Å; F66-Y94 PolarHBondContact O-OH 3.03Å; F66-A103 HydrophobicContact CD1-CB 4.42Å; F66-L107 HydrophobicContact CD1-CD1 3.56Å; F66-L107 HydrophobicContact CD2-CD1 4.39Å; F66-L107 HydrophobicContact CE1-CB 4.27Å; F66-L107 HydrophobicContact CE1-CD1 3.48Å; F66-L107 VanDerWaalsContact CE1-CD1 3.48Å; F66-L107 HydrophobicContact CE2-CD1 4.32Å; F66-L107 HydrophobicContact CG-CD1 4.02Å; F66-L107 HydrophobicContact CZ-CB 4.34Å; F66-L107 HydrophobicContact CZ-CD1 3.87Å; F66-I117 HydrophobicContact CZ-CD1 4.22Å; F66-V119 HydrophobicContact CE1-CG1 4.11Å; F66-V119 HydrophobicContact CE1-CG2 3.89Å; F66-V119 HydrophobicContact CZ-CG2 3.76Å
67G89.4Confident88.8Confident39 Ų3960.7 Ų60.740%0.40233%0.325SS..Hα-helixtrans-69.2-12.917600000114.3R63 S64 I69R63-G67 WeakPolarHBondContact O-CA 3.48Å; R63-G67 PolarHBondContact O-N 3.26Å; S64-G67 PolarHBondContact O-N 2.84Å; G67-I69 PolarHBondContact O-N 2.81Å
68S90.2Very high88.9Confident88 Ų8861.3 Ų61.362%0.61533%0.329SS*.THydrogen-bonded Turntrans-71-17.1171.273.30000114.1S64 L65 F66S64-S68 PolarHBondContact O-N 3.35Å; L65-S68 PolarHBondContact O-N 3.41Å; L65-S68 PolarHBondContact O-OG 2.87Å; F66-S68 PolarHBondContact O-N 2.81Å
69I90.6Very high88.8Confident36 Ų3663.9 Ų63.919%0.18533%0.333CS..THydrogen-bonded Turntrans-94.3-30.2-177.9-53.6-61.4000112.4F66 G67 K102 A103 T106 L107F66-I69 PolarHBondContact O-N 2.97Å; G67-I69 PolarHBondContact O-N 2.81Å; I69-K102 HydrophobicContact CG2-CB 3.59Å; I69-K102 HydrophobicContact CG2-CD 4.4Å; I69-A103 HydrophobicContact CB-CB 4.32Å; I69-A103 HydrophobicContact CG1-CB 4.34Å; I69-A103 HydrophobicContact CG2-CB 3.97Å; I69-T106 HydrophobicContact CD1-CG2 4.16Å; I69-L107 HydrophobicContact CD1-CD1 4.36Å; I69-L107 HydrophobicContact CD1-CD2 4.41Å; I69-L107 HydrophobicContact CD1-CG 4.3Å; I69-L107 HydrophobicContact CG1-CD1 3.75Å; I69-L107 HydrophobicContact CG1-CG 4.19Å
70G88.6Confident88.5Confident15 Ų1562.8 Ų62.816%0.15533%0.33CS..SBendtrans171.3176.7-171.400000113.1I72 Y94 D99G70-I72 PolarHBondContact O-N 2.98Å; G70-Y94 WeakPolarHBondContact O-CE1 3.37Å; G70-D99 WeakPolarHBondContact CA-OD2 3.21Å
71E90.6Very high87.7Confident138 Ų13867 Ų6765%0.64535%0.346SS*.  trans-79.4123.6-171.5-163172.1174.800113.1Y94 I95E71-Y94 WeakPolarHBondContact O-CA 3.48Å; E71-Y94 WeakPolarHBondContact O-CD1 3.45Å; E71-I95 HydrophobicContact CB-CD1 4.11Å; E71-I95 HydrophobicContact CG-CD1 3.65Å; E71-I95 HydrophobicContact CG-CG1 4.4Å; E71-I95 PolarHBondContact O-N 3.36Å
72I91.1Very high86.9Confident11 Ų1168.3 Ų68.36%0.05636%0.355CS..EExtended strand (participates in β ladder)trans-93.5112.9-178.6-66.3177.3000110.2F66 G70 S74 C75 V92 Y94F66-I72 HydrophobicContact CB-CD1 3.7Å; G70-I72 PolarHBondContact O-N 2.98Å; I72-S74 VanDerWaalsContact CG2-C 3.42Å; I72-S74 WeakPolarHBondContact CG2-O 3.5Å; I72-C75 HydrophobicContact CG2-CB 3.86Å; I72-V92 HydrophobicContact CD1-CG1 3.79Å; I72-V92 HydrophobicContact CG1-CG1 3.81Å; I72-V92 HydrophobicContact CG2-CG1 4.11Å; I72-Y94 HydrophobicContact CG1-CD1 4.22Å; I72-Y94 HydrophobicContact CG1-CE1 3.91Å
73E87.5Confident86.2Confident126 Ų12672.1 Ų72.159%0.58938%0.378SS*.EExtended strand (participates in β ladder)trans-63.3-48.8166.6-170.9-143.5-124.200110.3N93 I95E73-N93 PolarHBondContact N-O 2.91Å; E73-N93 PolarHBondContact OE2-ND2 2.85Å; E73-I95 HydrophobicContact CB-CG1 3.89Å
74S83.7Confident85.4Confident61 Ų6168.4 Ų68.443%0.42738%0.378SS..EExtended strand (participates in β ladder)trans-147.5133.3-175.4-163.60000112.4I72 V92 N93I72-S74 VanDerWaalsContact CG2-C 3.42Å; I72-S74 WeakPolarHBondContact CG2-O 3.5Å; S74-V92 CarbonylContact O-C 3.5Å; S74-V92 WeakPolarHBondContact O-CA 3.43Å; S74-N93 PolarHBondContact N-O 2.9Å; S74-N93 VanDerWaalsContact N-O 3.14Å; S74-N93 PolarHBondContact O-N 3.19Å
75C87.9Confident84.7Confident17 Ų1769.3 Ų69.312%0.11537%0.372CS..EExtended strand (participates in β ladder)trans-131139.4171.559.40000110.3R63 I72 F91R63-C75 VanDerWaalsContact CD-SG 3.6Å; R63-C75 VanDerWaalsContact CG-SG 3.53Å; R63-C75 PolarHBondContact NH1-SG 3.23Å; I72-C75 HydrophobicContact CG2-CB 3.86Å; C75-F91 WeakPolarHBondContact CA-O 3.33Å
76K87.8Confident84.3Confident135 Ų13567.5 Ų67.559%0.58736%0.363SS*.EExtended strand (participates in β ladder)trans-145.3111.5179.8-173.9166.2-171.4159.10111.8G90 F91K76-G90 CarbonylContact O-C 3.52Å; K76-G90 VanDerWaalsContact O-CA 3.25Å; K76-G90 WeakPolarHBondContact O-CA 3.48Å; K76-F91 PolarHBondContact N-O 3.49Å; K76-F91 PolarHBondContact O-N 3.07Å
77L88.8Confident83.9Confident8 Ų871.7 Ų71.74%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-77.4127.8167.4-175.358.8000108.6L53 M57 Q59 F62 R79L53-L77 HydrophobicContact CD1-CD1 3.47Å; L53-L77 VanDerWaalsContact CD1-CD1 3.47Å; M57-L77 WeakPolarHBondContact O-CD2 3.34Å; Q59-L77 HydrophobicContact CB-CB 4.18Å; Q59-L77 HydrophobicContact CG-CB 4.17Å; Q59-L77 VanDerWaalsContact OE1-N 3.14Å; F62-L77 HydrophobicContact CD1-CB 4.41Å; L77-R79 PolarHBondContact O-N 2.76Å
78V86.3Confident83.7Confident27 Ų2770.2 Ų70.216%0.16437%0.37CS..EExtended strand (participates in β ladder)trans-87117.4-179.4-166.40000109.5L87 Y89 F91V78-L87 HydrophobicContact CG1-CD1 3.78Å; V78-L87 HydrophobicContact CG1-CG 4.45Å; V78-L87 WeakPolarHBondContact O-CB 3.46Å; V78-L87 PolarHBondContact O-N 2.99Å; V78-Y89 HydrophobicContact CB-CD2 4.22Å; V78-Y89 HydrophobicContact CB-CE1 4.34Å; V78-Y89 HydrophobicContact CB-CE2 3.89Å; V78-Y89 WeakPolarHBondContact CB-O 2.95Å; V78-Y89 HydrophobicContact CG1-CE1 4.44Å; V78-Y89 HydrophobicContact CG1-CE2 4.2Å; V78-Y89 HydrophobicContact CG2-CD2 3.85Å; V78-Y89 HydrophobicContact CG2-CE2 3.56Å; V78-Y89 PolarHBondContact N-O 3.17Å; V78-F91 HydrophobicContact CG2-CD2 3.87Å; V78-F91 HydrophobicContact CG2-CE2 3.79Å
79R85.3Confident83.6Confident103 Ų10369.6 Ų69.639%0.38935%0.354SS..EExtended strand (participates in β ladder)trans-114.1148.4176.8-61.6-175163.6161.4-2.2110.2M57 L77 G84 Q85 S86M57-R79 PolarHBondContact O-NH2 2.84Å; M57-R79 VanDerWaalsContact O-NH2 3.12Å; L77-R79 PolarHBondContact O-N 2.76Å; R79-G84 WeakPolarHBondContact CD-O 3.3Å; R79-Q85 CarbonylContact C-O 3.51Å; R79-Q85 VanDerWaalsContact CA-O 3.26Å; R79-Q85 WeakPolarHBondContact CA-O 3.38Å; R79-S86 PolarHBondContact NE-OG 2.83Å
80D80.8Confident83.6Confident45 Ų4567.9 Ų67.924%0.24135%0.346CS..  trans-61.6133.6168.9173.126000109.9I82 T83 G84 Q85 L87D80-I82 VanDerWaalsContact CG-N 3.34Å; D80-I82 PolarHBondContact O-N 2.86Å; D80-I82 PolarHBondContact OD1-N 3.01Å; D80-I82 PolarHBondContact OD2-N 3.48Å; D80-T83 WeakPolarHBondContact CB-OG1 3.32Å; D80-T83 VanDerWaalsContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.35Å; D80-T83 PolarHBondContact OD2-N 2.8Å; D80-T83 PolarHBondContact OD2-OG1 2.84Å; D80-G84 VanDerWaalsContact O-CA 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3.2Å; D80-G84 PolarHBondContact O-N 3.16Å; D80-Q85 PolarHBondContact N-O 2.98Å; D80-L87 HydrophobicContact CB-CD2 3.91Å
81K72.8Confident83.7Confident209 Ų20971 Ų7191%0.90936%0.355SS*.THydrogen-bonded Turntrans-71.3-17.8176.8-67.4-173.8175.5-174.10113.3
82I72.8Confident83.8Confident127 Ų12764.5 Ų64.565%0.65133%0.325SS*.THydrogen-bonded Turntrans-97-45.5-173.6-53.8179.6000111.7D80D80-I82 VanDerWaalsContact CG-N 3.34Å; D80-I82 PolarHBondContact O-N 2.86Å; D80-I82 PolarHBondContact OD1-N 3.01Å; D80-I82 PolarHBondContact OD2-N 3.48Å
83T75.4Confident83.7Confident80 Ų8064.9 Ų64.949%0.49133%0.327SS..THydrogen-bonded Turntrans-100.8-14.7-179.161.80000114D80 Q85D80-T83 WeakPolarHBondContact CB-OG1 3.32Å; D80-T83 VanDerWaalsContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CB 3.31Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.35Å; D80-T83 PolarHBondContact OD2-N 2.8Å; D80-T83 PolarHBondContact OD2-OG1 2.84Å; T83-Q85 PolarHBondContact O-N 3.44Å; T83-Q85 PolarHBondContact OG1-N 3Å
84G74.5Confident83.9Confident44 Ų4459 Ų5945%0.45430%0.299SS..  trans73.7-4.3-173.600000114.8R79 D80R79-G84 WeakPolarHBondContact CD-O 3.3Å; D80-G84 VanDerWaalsContact O-CA 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3.2Å; D80-G84 PolarHBondContact O-N 3.16Å
85Q74.6Confident84.1Confident106 Ų10660.4 Ų60.450%0.49530%0.301SS..  trans-71.1142.9-177.6-64.7-174.21.400112.1R79 D80 T83 L87R79-Q85 CarbonylContact C-O 3.51Å; R79-Q85 VanDerWaalsContact CA-O 3.26Å; R79-Q85 WeakPolarHBondContact CA-O 3.38Å; D80-Q85 PolarHBondContact N-O 2.98Å; T83-Q85 PolarHBondContact O-N 3.44Å; T83-Q85 PolarHBondContact OG1-N 3Å; Q85-L87 PolarHBondContact O-N 3.02Å
86S81.1Confident84.1Confident3 Ų363.3 Ų63.32%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-66.5126174.3-56.20000111Q55 M57 R79 G88Q55-S86 WeakPolarHBondContact O-CB 2.89Å; Q55-S86 PolarHBondContact O-OG 3.34Å; M57-S86 PolarHBondContact O-OG 3.05Å; R79-S86 PolarHBondContact NE-OG 2.83Å; S86-G88 PolarHBondContact O-N 3.3Å
87L82.2Confident84.1Confident88 Ų8859 Ų5946%0.46130%0.301SS..EExtended strand (participates in β ladder)trans-715.1179.5-62-174.4000113.4V78 D80 Q85 Y89V78-L87 HydrophobicContact CG1-CD1 3.78Å; V78-L87 HydrophobicContact CG1-CG 4.45Å; V78-L87 WeakPolarHBondContact O-CB 3.46Å; V78-L87 PolarHBondContact O-N 2.99Å; D80-L87 HydrophobicContact CB-CD2 3.91Å; Q85-L87 PolarHBondContact O-N 3.02Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 HydrophobicContact CB-CD1 3.75Å; L87-Y89 HydrophobicContact CB-CE1 3.54Å; L87-Y89 HydrophobicContact CD1-CE1 3.79Å; L87-Y89 HydrophobicContact CG-CE1 4.33Å; L87-Y89 PolarHBondContact O-N 2.86Å
88G84.9Confident84.2Confident7 Ų765.4 Ų65.47%0.07233%0.329CS..EExtended strand (participates in β ladder)trans75.115.6-178.100000114.5Y52 L53 S86Y52-G88 CarbonylContact C-O 3.53Å; Y52-G88 WeakPolarHBondContact CA-O 3.36Å; Y52-G88 PolarHBondContact N-O 3.25Å; L53-G88 PolarHBondContact N-O 3.48Å; L53-G88 WeakPolarHBondContact O-CA 3.33Å; S86-G88 PolarHBondContact O-N 3.3Å
89Y89.3Confident84.4Confident76 Ų7665.2 Ų65.230%0.29833%0.327SS..EExtended strand (participates in β ladder)trans-144.4156.5171.472.2-82.1000112.9V50 V78 L87 F91V50-Y89 CarbonylContact O-C 3.56Å; V50-Y89 WeakPolarHBondContact O-CA 3.32Å; V50-Y89 WeakPolarHBondContact O-CB 3.39Å; V78-Y89 HydrophobicContact CB-CD2 4.22Å; V78-Y89 HydrophobicContact CB-CE1 4.34Å; V78-Y89 HydrophobicContact CB-CE2 3.89Å; V78-Y89 WeakPolarHBondContact CB-O 2.95Å; V78-Y89 HydrophobicContact CG1-CE1 4.44Å; V78-Y89 HydrophobicContact CG1-CE2 4.2Å; V78-Y89 HydrophobicContact CG2-CD2 3.85Å; V78-Y89 HydrophobicContact CG2-CE2 3.56Å; V78-Y89 PolarHBondContact N-O 3.17Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 HydrophobicContact CB-CD1 3.75Å; L87-Y89 HydrophobicContact CB-CE1 3.54Å; L87-Y89 HydrophobicContact CD1-CE1 3.79Å; L87-Y89 HydrophobicContact CG-CE1 4.33Å; L87-Y89 PolarHBondContact O-N 2.86Å; Y89-F91 HydrophobicContact CD2-CE2 4.13Å; Y89-F91 HydrophobicContact CD2-CZ 4.39Å; Y89-F91 AromaticContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CZ 4.18Å
90G90.3Very high84.7Confident0 Ų060.3 Ų60.30%031%0.308CS..EExtended strand (participates in β ladder)trans-148.9169.2-179.500000112.1V50 K76V50-G90 PolarHBondContact N-O 3.02Å; V50-G90 PolarHBondContact O-N 2.81Å; K76-G90 CarbonylContact O-C 3.52Å; K76-G90 VanDerWaalsContact O-CA 3.25Å; K76-G90 WeakPolarHBondContact O-CA 3.48Å
91F91.1Very high85.2Confident80 Ų8062.9 Ų62.935%0.35132%0.319SS..EExtended strand (participates in β ladder)trans-123.1144.8176.4-62.3-84000110.3L48 I49 C75 K76 V78 Y89 A122L48-F91 WeakPolarHBondContact O-CA 3.46Å; I49-F91 HydrophobicContact CB-CD1 4.06Å; I49-F91 HydrophobicContact CB-CE1 3.99Å; I49-F91 HydrophobicContact CD1-CE1 3.74Å; I49-F91 HydrophobicContact CD1-CZ 4.03Å; I49-F91 HydrophobicContact CG1-CD1 4.09Å; I49-F91 HydrophobicContact CG1-CE1 3.76Å; I49-F91 HydrophobicContact CG1-CZ 4.32Å; C75-F91 WeakPolarHBondContact CA-O 3.33Å; K76-F91 PolarHBondContact N-O 3.49Å; K76-F91 PolarHBondContact O-N 3.07Å; V78-F91 HydrophobicContact CG2-CD2 3.87Å; V78-F91 HydrophobicContact CG2-CE2 3.79Å; Y89-F91 HydrophobicContact CD2-CE2 4.13Å; Y89-F91 HydrophobicContact CD2-CZ 4.39Å; Y89-F91 AromaticContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CE2 3.87Å; Y89-F91 HydrophobicContact CE2-CZ 4.18Å; F91-A122 HydrophobicContact CD1-CB 4.13Å; F91-A122 HydrophobicContact CE1-CB 4.37Å
92V91.3Very high86.1Confident1 Ų158 Ų581%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-135.2126.6173.8-175.80000107.7L48 V50 F62 F66 I72 S74 Y94L48-V92 PolarHBondContact N-O 2.88Å; L48-V92 PolarHBondContact O-N 3.33Å; V50-V92 HydrophobicContact CG2-CG2 4.44Å; F62-V92 HydrophobicContact CE1-CG2 3.66Å; F62-V92 HydrophobicContact CZ-CG2 3.57Å; F66-V92 HydrophobicContact CB-CG1 4.28Å; F66-V92 HydrophobicContact CB-CG2 4.13Å; F66-V92 HydrophobicContact CD1-CG2 4.11Å; F66-V92 HydrophobicContact CD2-CG2 4.38Å; F66-V92 HydrophobicContact CG-CG2 3.92Å; I72-V92 HydrophobicContact CD1-CG1 3.79Å; I72-V92 HydrophobicContact CG1-CG1 3.81Å; I72-V92 HydrophobicContact CG2-CG1 4.11Å; S74-V92 CarbonylContact O-C 3.5Å; S74-V92 WeakPolarHBondContact O-CA 3.43Å; V92-Y94 HydrophobicContact CB-CE2 4.42Å; V92-Y94 HydrophobicContact CG1-CD2 3.98Å; V92-Y94 HydrophobicContact CG1-CE2 3.62Å
93N89.6Confident86.9Confident20 Ų2051.9 Ų51.911%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-107.8120.8166.8-164.736.1000108T46 N47 E73 S74T46-N93 WeakPolarHBondContact CB-OD1 3.45Å; T46-N93 PolarHBondContact O-OD1 3.48Å; T46-N93 PolarHBondContact OG1-OD1 3.36Å; N47-N93 PolarHBondContact N-OD1 2.87Å; N47-N93 PolarHBondContact ND2-OD1 2.96Å; N47-N93 PolarHBondContact OD1-OD1 3.35Å; E73-N93 PolarHBondContact N-O 2.91Å; E73-N93 PolarHBondContact OE2-ND2 2.85Å; S74-N93 PolarHBondContact N-O 2.9Å; S74-N93 VanDerWaalsContact N-O 3.14Å; S74-N93 PolarHBondContact O-N 3.19Å
94Y91Very high87.7Confident2 Ų249.2 Ų49.21%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-84.8155.3171.2-74-90.2000110.4T46 L48 F66 G70 E71 I72 V92 D96 D99 A100 A103T46-Y94 WeakPolarHBondContact CB-O 3.16Å; T46-Y94 PolarHBondContact O-N 2.94Å; L48-Y94 HydrophobicContact CD1-CD2 4.21Å; L48-Y94 HydrophobicContact CD1-CE2 3.75Å; L48-Y94 HydrophobicContact CG-CD2 4.45Å; L48-Y94 HydrophobicContact CG-CE2 4.42Å; F66-Y94 WeakPolarHBondContact CB-OH 3.44Å; F66-Y94 WeakPolarHBondContact CD1-OH 3.36Å; F66-Y94 PolarHBondContact O-OH 3.03Å; G70-Y94 WeakPolarHBondContact O-CE1 3.37Å; E71-Y94 WeakPolarHBondContact O-CA 3.48Å; E71-Y94 WeakPolarHBondContact O-CD1 3.45Å; I72-Y94 HydrophobicContact CG1-CD1 4.22Å; I72-Y94 HydrophobicContact CG1-CE1 3.91Å; V92-Y94 HydrophobicContact CB-CE2 4.42Å; V92-Y94 HydrophobicContact CG1-CD2 3.98Å; V92-Y94 HydrophobicContact CG1-CE2 3.62Å; Y94-D96 WeakPolarHBondContact CB-O 3.33Å; Y94-D99 HydrophobicContact CD1-CB 3.81Å; Y94-D99 HydrophobicContact CE1-CB 4.29Å; Y94-D99 HydrophobicContact CG-CB 4.29Å; Y94-A100 HydrophobicContact CD2-CB 3.73Å; Y94-A100 HydrophobicContact CG-CB 4.25Å; Y94-A103 HydrophobicContact CE2-CB 3.76Å; Y94-A103 WeakPolarHBondContact OH-CB 3.28Å
95I87.9Confident88.5Confident90 Ų9052.9 Ų52.946%0.46226%0.258SS..SBendtrans-67.5-46167.5-59.3-179.6000109.2E71 E73E71-I95 HydrophobicContact CB-CD1 4.11Å; E71-I95 HydrophobicContact CG-CD1 3.65Å; E71-I95 HydrophobicContact CG-CG1 4.4Å; E71-I95 PolarHBondContact O-N 3.36Å; E73-I95 HydrophobicContact CB-CG1 3.89Å
96D88.5Confident89.2Confident78 Ų7852.2 Ų52.242%0.41726%0.261SS..SBendtrans-98127.2-179.2-104.7-63.9000112.6Y94 K98 D99 A100Y94-D96 WeakPolarHBondContact CB-O 3.33Å; D96-K98 PolarHBondContact O-N 3.06Å; D96-D99 HydrophobicContact CB-CB 4.35Å; D96-D99 PolarHBondContact O-N 3.17Å; D96-D99 VanDerWaalsContact O-N 3.1Å; D96-A100 PolarHBondContact O-N 3.03Å
97P88.1Confident89.6Confident44 Ų4452.6 Ų52.629%0.28626%0.263SS..Hα-helixtrans-66-23.5176.326-33.2000112.5K45 T46 D99 A100 E101K45-P97 HydrophobicContact CB-CB 4.03Å; T46-P97 HydrophobicContact CG2-CB 3.9Å; T46-P97 HydrophobicContact CG2-CG 4.37Å; P97-D99 VanDerWaalsContact C-N 3.29Å; P97-D99 PolarHBondContact O-N 3.21Å; P97-A100 PolarHBondContact O-N 2.74Å; P97-E101 PolarHBondContact O-N 2.77Å
98K90.3Very high90Very high144 Ų14452 Ų5263%0.62626%0.26SS*.Hα-helixtrans-63.8-35.7173.5-65.1173-176.6166.40111.8D96 E101 K102D96-K98 PolarHBondContact O-N 3.06Å; K98-E101 PolarHBondContact O-N 3.39Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3Å
99D91.8Very high90.1Very high22 Ų2253.9 Ų53.912%0.11828%0.279CS..Hα-helixtrans-80.7-31.4-178.6-69.7-3.8000111.3G70 Y94 D96 P97 K102 A103G70-D99 WeakPolarHBondContact CA-OD2 3.21Å; Y94-D99 HydrophobicContact CD1-CB 3.81Å; Y94-D99 HydrophobicContact CE1-CB 4.29Å; Y94-D99 HydrophobicContact CG-CB 4.29Å; D96-D99 HydrophobicContact CB-CB 4.35Å; D96-D99 PolarHBondContact O-N 3.17Å; D96-D99 VanDerWaalsContact O-N 3.1Å; P97-D99 VanDerWaalsContact C-N 3.29Å; P97-D99 PolarHBondContact O-N 3.21Å; D99-K102 PolarHBondContact O-N 2.9Å; D99-K102 WeakPolarHBondContact OD1-CE 3.33Å; D99-K102 IonicContact OD1-NZ 2.71Å; D99-K102 PolarHBondContact OD1-NZ 2.81Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.46Å; D99-A103 PolarHBondContact O-N 3.23Å
100A90.1Very high90Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-61.1-42.6166.700000112.3K45 L48 Y94 D96 P97 A103 I104K45-A100 WeakPolarHBondContact O-CB 3.46Å; L48-A100 HydrophobicContact CD1-CB 4.31Å; L48-A100 HydrophobicContact CD2-CB 3.96Å; L48-A100 HydrophobicContact CG-CB 4.06Å; Y94-A100 HydrophobicContact CD2-CB 3.73Å; Y94-A100 HydrophobicContact CG-CB 4.25Å; D96-A100 PolarHBondContact O-N 3.03Å; P97-A100 PolarHBondContact O-N 2.74Å; A100-A103 PolarHBondContact O-N 3.07Å; A100-I104 PolarHBondContact O-N 2.98Å
101E90.9Very high89.9Confident100 Ų10062.2 Ų62.247%0.46732%0.315SS..Hα-helixtrans-64.9-46.2174.8-178.8167.5-130.500112.3P97 K98 A103 I104 N105P97-E101 PolarHBondContact O-N 2.77Å; K98-E101 PolarHBondContact O-N 3.39Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.4Å; E101-I104 PolarHBondContact O-N 3.28Å; E101-N105 PolarHBondContact O-N 3.02Å; E101-N105 PolarHBondContact O-ND2 3.23Å
102K91.6Very high89.6Confident105 Ų10560.1 Ų60.146%0.45731%0.307SS..Hα-helixtrans-54.2-46.7170.9-69.8170.8-163.7164.70111I69 K98 D99 I104 N105 T106I69-K102 HydrophobicContact CG2-CB 3.59Å; I69-K102 HydrophobicContact CG2-CD 4.4Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3Å; D99-K102 PolarHBondContact O-N 2.9Å; D99-K102 WeakPolarHBondContact OD1-CE 3.33Å; D99-K102 IonicContact OD1-NZ 2.71Å; D99-K102 PolarHBondContact OD1-NZ 2.81Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.97Å; K102-N105 CarbonylContact O-C 3.31Å; K102-N105 PolarHBondContact O-N 2.97Å; K102-N105 VanDerWaalsContact O-N 3.07Å; K102-T106 WeakPolarHBondContact O-CB 3.43Å; K102-T106 PolarHBondContact O-N 2.82Å; K102-T106 PolarHBondContact O-OG1 2.99Å
103A91.4Very high89Confident0 Ų065.6 Ų65.60%033%0.333CS..Hα-helixtrans-65.1-34.8-177.200000112.6L48 F66 I69 Y94 D99 A100 E101 L107L48-A103 HydrophobicContact CD1-CB 3.81Å; F66-A103 HydrophobicContact CD1-CB 4.42Å; I69-A103 HydrophobicContact CB-CB 4.32Å; I69-A103 HydrophobicContact CG1-CB 4.34Å; I69-A103 HydrophobicContact CG2-CB 3.97Å; Y94-A103 HydrophobicContact CE2-CB 3.76Å; Y94-A103 WeakPolarHBondContact OH-CB 3.28Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.46Å; D99-A103 PolarHBondContact O-N 3.23Å; A100-A103 PolarHBondContact O-N 3.07Å; E101-A103 VanDerWaalsContact C-N 3.29Å; E101-A103 PolarHBondContact O-N 3.4Å; A103-L107 HydrophobicContact CB-CD1 4.47Å; A103-L107 VanDerWaalsContact O-CB 3.25Å; A103-L107 WeakPolarHBondContact O-CB 3.12Å; A103-L107 PolarHBondContact O-N 3.35Å
104I91.9Very high88.7Confident23 Ų2370.7 Ų70.712%0.11837%0.365CS..Hα-helixtrans-61.5-55.5166.8-65.9165.2000109.7L48 A100 E101 K102 T106 N108 V119 Y121L48-I104 HydrophobicContact CD1-CG1 4.2Å; L48-I104 HydrophobicContact CD2-CD1 3.59Å; L48-I104 HydrophobicContact CD2-CG1 3.69Å; A100-I104 PolarHBondContact O-N 2.98Å; E101-I104 PolarHBondContact O-N 3.28Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.97Å; I104-T106 VanDerWaalsContact C-N 3.26Å; I104-T106 PolarHBondContact O-N 2.99Å; I104-N108 HydrophobicContact CG2-CB 4.43Å; I104-N108 WeakPolarHBondContact O-CB 3.45Å; I104-N108 PolarHBondContact O-N 3.24Å; I104-V119 HydrophobicContact CG1-CG1 3.95Å; I104-Y121 HydrophobicContact CD1-CD1 3.61Å; I104-Y121 HydrophobicContact CD1-CD2 3.61Å; I104-Y121 HydrophobicContact CD1-CE1 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE1 3.46Å; I104-Y121 HydrophobicContact CD1-CE2 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE2 3.46Å; I104-Y121 HydrophobicContact CD1-CG 3.68Å
105N90.9Very high88.4Confident122 Ų12273.8 Ų73.865%0.65238%0.378SS*.Hα-helixtrans-66.6-23.8-171.9-68.7-30.1000114.1E101 K102E101-N105 PolarHBondContact O-N 3.02Å; E101-N105 PolarHBondContact O-ND2 3.23Å; K102-N105 CarbonylContact O-C 3.31Å; K102-N105 PolarHBondContact O-N 2.97Å; K102-N105 VanDerWaalsContact O-N 3.07Å
106T88.9Confident88.4Confident91 Ų9173.3 Ų73.356%0.55838%0.379SS*.Hα-helixtrans-101.1-36.6-178.9-48.50000113.7I69 K102 I104I69-T106 HydrophobicContact CD1-CG2 4.16Å; K102-T106 WeakPolarHBondContact O-CB 3.43Å; K102-T106 PolarHBondContact O-N 2.82Å; K102-T106 PolarHBondContact O-OG1 2.99Å; I104-T106 VanDerWaalsContact C-N 3.26Å; I104-T106 PolarHBondContact O-N 2.99Å
107L89.1Confident88.6Confident11 Ų1169.6 Ų69.66%0.05836%0.36CS..Hα-helixtrans-104.8-14.7-173.1-55.4175.5000113.7L65 F66 I69 A103 G109 L110 I117 V119L65-L107 HydrophobicContact CD1-CD2 4.26Å; F66-L107 HydrophobicContact CD1-CD1 3.56Å; F66-L107 HydrophobicContact CD2-CD1 4.39Å; F66-L107 HydrophobicContact CE1-CB 4.27Å; F66-L107 HydrophobicContact CE1-CD1 3.48Å; F66-L107 VanDerWaalsContact CE1-CD1 3.48Å; F66-L107 HydrophobicContact CE2-CD1 4.32Å; F66-L107 HydrophobicContact CG-CD1 4.02Å; F66-L107 HydrophobicContact CZ-CB 4.34Å; F66-L107 HydrophobicContact CZ-CD1 3.87Å; I69-L107 HydrophobicContact CD1-CD1 4.36Å; I69-L107 HydrophobicContact CD1-CD2 4.41Å; I69-L107 HydrophobicContact CD1-CG 4.3Å; I69-L107 HydrophobicContact CG1-CD1 3.75Å; I69-L107 HydrophobicContact CG1-CG 4.19Å; A103-L107 HydrophobicContact CB-CD1 4.47Å; A103-L107 VanDerWaalsContact O-CB 3.25Å; A103-L107 WeakPolarHBondContact O-CB 3.12Å; A103-L107 PolarHBondContact O-N 3.35Å; L107-G109 PolarHBondContact O-N 3.01Å; L107-L110 HydrophobicContact CD2-CD2 4.02Å; L107-L110 VanDerWaalsContact O-CB 3.3Å; L107-L110 WeakPolarHBondContact O-CB 3.23Å; L107-L110 PolarHBondContact O-N 3.04Å; L107-I117 WeakPolarHBondContact O-CG1 3.43Å; L107-V119 HydrophobicContact CB-CG2 3.99Å
108N90.9Very high88.7Confident76 Ų7672.6 Ų72.641%0.40637%0.368SS..THydrogen-bonded Turntrans-67.7124.1172.3-175.740.9000110.5I104 K118 V119I104-N108 HydrophobicContact CG2-CB 4.43Å; I104-N108 WeakPolarHBondContact O-CB 3.45Å; I104-N108 PolarHBondContact O-N 3.24Å; N108-K118 WeakPolarHBondContact OD1-CA 3.21Å; N108-V119 HydrophobicContact CB-CB 4Å; N108-V119 PolarHBondContact OD1-N 3.36Å; N108-V119 PolarHBondContact OD1-O 3.46Å
109G87.4Confident88.8Confident46 Ų4665.7 Ų65.747%0.47434%0.338SS..THydrogen-bonded Turntrans891.5-174.700000114.4L107 R111 T116 I117L107-G109 PolarHBondContact O-N 3.01Å; G109-R111 PolarHBondContact O-N 3.47Å; G109-T116 WeakPolarHBondContact O-CG2 3.34Å; G109-I117 PolarHBondContact N-O 2.63Å
110L87.9Confident88.7Confident63 Ų6366.4 Ų66.433%0.3335%0.345SS..  trans-65.9128.7174.7-176.567.9000110.7L65 L107 L112 I117L65-L110 HydrophobicContact CD1-CD2 4.18Å; L65-L110 HydrophobicContact CD2-CD2 4.38Å; L107-L110 HydrophobicContact CD2-CD2 4.02Å; L107-L110 VanDerWaalsContact O-CB 3.3Å; L107-L110 WeakPolarHBondContact O-CB 3.23Å; L107-L110 PolarHBondContact O-N 3.04Å; L110-L112 HydrophobicContact CD2-CD2 3.98Å; L110-L112 HydrophobicContact CG-CD2 4.16Å; L110-L112 PolarHBondContact O-N 2.71Å; L110-I117 HydrophobicContact CB-CD1 4.13Å; L110-I117 HydrophobicContact CB-CG1 4.03Å; L110-I117 HydrophobicContact CD2-CD1 4.42Å; L110-I117 PolarHBondContact O-N 2.88Å
111R87.6Confident88.6Confident188 Ų18870.7 Ų70.771%0.70936%0.362SS*.EExtended strand (participates in β ladder)trans-88.7109.1180-173.9176174.6169.4-0.6111G109 K115G109-R111 PolarHBondContact O-N 3.47Å; R111-K115 CarbonylContact C-O 3.53Å; R111-K115 WeakPolarHBondContact CA-O 3.49Å
112L84.3Confident88.1Confident37 Ų3766.2 Ų66.219%0.19434%0.342CS..EExtended strand (participates in β ladder)trans-103.8109.7172.9-59.5-173.1000109.6P54 M57 L65 L110 T114 K115 I117P54-L112 HydrophobicContact CG-CB 4.19Å; M57-L112 HydrophobicContact CE-CD1 3.97Å; M57-L112 HydrophobicContact SD-CD1 4.09Å; L65-L112 HydrophobicContact CD2-CD1 4.07Å; L110-L112 HydrophobicContact CD2-CD2 3.98Å; L110-L112 HydrophobicContact CG-CD2 4.16Å; L110-L112 PolarHBondContact O-N 2.71Å; L112-T114 PolarHBondContact O-N 3.2Å; L112-K115 CarbonylContact C-O 3.54Å; L112-K115 PolarHBondContact N-O 2.98Å; L112-K115 PolarHBondContact O-N 3.21Å; L112-K115 VanDerWaalsContact O-O 3.05Å; L112-I117 HydrophobicContact CB-CG2 4.29Å; L112-I117 HydrophobicContact CD1-CD1 4.38Å; L112-I117 HydrophobicContact CD1-CG2 3.74Å; L112-I117 HydrophobicContact CG-CG2 3.9Å
113Q79.9Confident87.2Confident116 Ų11669.7 Ų69.754%0.54235%0.352SS..THydrogen-bonded Turntrans56-115.4-178.7-54170.69.100111.5N56N56-Q113 PolarHBondContact ND2-NE2 3.4Å; N56-Q113 VanDerWaalsContact ND2-NE2 3.2Å; N56-Q113 PolarHBondContact ND2-OE1 2.93Å; N56-Q113 PolarHBondContact OD1-OE1 3.01Å
114T82.4Confident85.8Confident127 Ų12771.4 Ų71.478%0.77936%0.363SS*.THydrogen-bonded Turntrans-90.3-0.5-179.9530000114.1L112L112-T114 PolarHBondContact O-N 3.2Å
115K84.1Confident84.1Confident67 Ų6773.5 Ų73.529%0.29138%0.38SS..EExtended strand (participates in β ladder)trans-123151.8-177-59-171.4-173.7-178.10112.4Y52 L53 R111 L112Y52-K115 VanDerWaalsContact O-CB 3.23Å; Y52-K115 WeakPolarHBondContact O-CB 3.36Å; Y52-K115 WeakPolarHBondContact O-CD 3.3Å; L53-K115 WeakPolarHBondContact O-CD 3.4Å; L53-K115 PolarHBondContact O-NZ 2.89Å; R111-K115 CarbonylContact C-O 3.53Å; R111-K115 WeakPolarHBondContact CA-O 3.49Å; L112-K115 CarbonylContact C-O 3.54Å; L112-K115 PolarHBondContact N-O 2.98Å; L112-K115 PolarHBondContact O-N 3.21Å; L112-K115 VanDerWaalsContact O-O 3.05Å
116T88.9Confident82.5Confident79 Ų7970.6 Ų70.649%0.48537%0.369SS..EExtended strand (participates in β ladder)trans-104.2117169.2-58.40000108.2Y52 G109Y52-T116 WeakPolarHBondContact CB-O 3.38Å; G109-T116 WeakPolarHBondContact O-CG2 3.34Å
117I91.6Very high80.7Confident1 Ų168.5 Ų68.51%0.00536%0.361CS..  trans-74.1142.3-177.775.5177.8000110V50 N51 L53 L65 F66 L107 G109 L110 L112 V119V50-I117 HydrophobicContact CG1-CB 4.3Å; V50-I117 HydrophobicContact CG1-CD1 4.25Å; N51-I117 WeakPolarHBondContact O-CA 3.4Å; L53-I117 HydrophobicContact CD2-CG2 3.93Å; L65-I117 HydrophobicContact CD2-CD1 4.47Å; F66-I117 HydrophobicContact CZ-CD1 4.22Å; L107-I117 WeakPolarHBondContact O-CG1 3.43Å; G109-I117 PolarHBondContact N-O 2.63Å; L110-I117 HydrophobicContact CB-CD1 4.13Å; L110-I117 HydrophobicContact CB-CG1 4.03Å; L110-I117 HydrophobicContact CD2-CD1 4.42Å; L110-I117 PolarHBondContact O-N 2.88Å; L112-I117 HydrophobicContact CB-CG2 4.29Å; L112-I117 HydrophobicContact CD1-CD1 4.38Å; L112-I117 HydrophobicContact CD1-CG2 3.74Å; L112-I117 HydrophobicContact CG-CG2 3.9Å; I117-V119 HydrophobicContact CD1-CG2 4.25Å; I117-V119 HydrophobicContact CG1-CG2 4.38Å
118K91.6Very high79Confident106 Ų10671.5 Ų71.546%0.46138%0.383SS..EExtended strand (participates in β ladder)trans-112112.6173.6-177.7172.4-1781720109.6V50 N51 Y52 N108V50-K118 WeakPolarHBondContact CA-O 3.18Å; N51-K118 HydrophobicContact CB-CB 4.46Å; N51-K118 PolarHBondContact N-O 3.27Å; N51-K118 PolarHBondContact O-N 2.71Å; Y52-K118 HydrophobicContact CD2-CB 3.91Å; Y52-K118 HydrophobicContact CE2-CB 4.22Å; N108-K118 WeakPolarHBondContact OD1-CA 3.21Å
119V92.1Very high77.5Confident0 Ų068 Ų680%036%0.364CS..EExtended strand (participates in β ladder)trans-97.5135.9174.1-1710000108.1L48 V50 F66 I104 L107 N108 I117L48-V119 HydrophobicContact CB-CG1 4.48Å; L48-V119 HydrophobicContact CD1-CG1 3.75Å; V50-V119 HydrophobicContact CG1-CG2 4.13Å; V50-V119 HydrophobicContact CG2-CG1 4.43Å; V50-V119 HydrophobicContact CG2-CG2 4.34Å; F66-V119 HydrophobicContact CE1-CG1 4.11Å; F66-V119 HydrophobicContact CE1-CG2 3.89Å; F66-V119 HydrophobicContact CZ-CG2 3.76Å; I104-V119 HydrophobicContact CG1-CG1 3.95Å; L107-V119 HydrophobicContact CB-CG2 3.99Å; N108-V119 HydrophobicContact CB-CB 4Å; N108-V119 PolarHBondContact OD1-N 3.36Å; N108-V119 PolarHBondContact OD1-O 3.46Å; I117-V119 HydrophobicContact CD1-CG2 4.25Å; I117-V119 HydrophobicContact CG1-CG2 4.38Å
120S89.3Confident76.1Confident37 Ų3772.5 Ų72.526%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-155.9158.8177.8-59.70000109L48 I49 A122L48-S120 CarbonylContact C-O 3.53Å; L48-S120 WeakPolarHBondContact CA-O 3.44Å; I49-S120 PolarHBondContact N-O 2.76Å; I49-S120 PolarHBondContact O-N 2.87Å; S120-A122 PolarHBondContact O-N 3.3Å
121Y88.8Confident75Confident89 Ų8973.7 Ų73.735%0.34937%0.374SS..EExtended strand (participates in β ladder)trans-53.3127.7169.2-64.1-68000110.1K45 L48 I104K45-Y121 HydrophobicContact CB-CD1 4.44Å; K45-Y121 HydrophobicContact CB-CE1 4.04Å; K45-Y121 HydrophobicContact CG-CE1 4.48Å; K45-Y121 WeakPolarHBondContact O-CD1 3.34Å; K45-Y121 VanDerWaalsContact O-CE1 3.25Å; K45-Y121 WeakPolarHBondContact O-CE1 3.37Å; L48-Y121 HydrophobicContact CD2-CD1 3.81Å; L48-Y121 HydrophobicContact CD2-CE1 4.25Å; I104-Y121 HydrophobicContact CD1-CD1 3.61Å; I104-Y121 HydrophobicContact CD1-CD2 3.61Å; I104-Y121 HydrophobicContact CD1-CE1 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE1 3.46Å; I104-Y121 HydrophobicContact CD1-CE2 3.46Å; I104-Y121 VanDerWaalsContact CD1-CE2 3.46Å; I104-Y121 HydrophobicContact CD1-CG 3.68Å
122A79.2Confident74.7Confident6 Ų664.7 Ų64.75%0.0534%0.34CS..PPolyproline II helixtrans-72.2140.2170.800000108.7N47 L48 I49 F91 S120N47-A122 HydrophobicContact CB-CB 4.1Å; N47-A122 PolarHBondContact O-N 2.82Å; L48-A122 VanDerWaalsContact C-CB 3.47Å; I49-A122 HydrophobicContact CB-CB 3.97Å; I49-A122 HydrophobicContact CG2-CB 4.37Å; F91-A122 HydrophobicContact CD1-CB 4.13Å; F91-A122 HydrophobicContact CE1-CB 4.37Å; S120-A122 PolarHBondContact O-N 3.3Å
123R72.3Confident74.8Confident178 Ų17864.6 Ų64.667%0.67234%0.339SS*.PPolyproline II helixtrans-62.2147161.7-64.1-173.8-178.1-170.3-0.3108.6S125R123-S125 PolarHBondContact O-N 3.18Å
124P62.8Low75.3Confident37 Ų3759.1 Ų59.124%0.2431%0.314CS..SBendtrans-47.4138.1-177.716.7-31.3000111.6S126P124-S126 PolarHBondContact O-N 2.93Å
125S55.8Low75.7Confident66 Ų6656.9 Ų56.946%0.46229%0.292SS..PPolyproline II helixtrans-50.7139.8-161.4179.40000112.7R123 A127 S128R123-S125 PolarHBondContact O-N 3.18Å; S125-A127 PolarHBondContact O-N 3.47Å; S125-A127 PolarHBondContact OG-N 3.47Å; S125-S128 PolarHBondContact O-N 2.86Å; S125-S128 VanDerWaalsContact O-N 3.12Å; S125-S128 PolarHBondContact O-OG 2.89Å
126S57.4Low76Confident62 Ų6253.7 Ų53.743%0.43428%0.278SS..THydrogen-bonded Turntrans-62.615.2170.3-87.90000114.6P124 R130 R179P124-S126 PolarHBondContact O-N 2.93Å; S126-R130 WeakPolarHBondContact O-CG 3.4Å; S126-R130 PolarHBondContact O-NE 3.41Å; S126-R130 VanDerWaalsContact O-NE 3.09Å; S126-R179 PolarHBondContact OG-NH1 3.46Å; S126-R179 PolarHBondContact OG-NH2 3.2Å
127A51.3Low76Confident47 Ų4751.1 Ų51.139%0.38826%0.263SS..THydrogen-bonded Turntrans-83.3-50.4163.700000113.4S125 I129 R130S125-A127 PolarHBondContact O-N 3.47Å; S125-A127 PolarHBondContact OG-N 3.47Å; A127-I129 VanDerWaalsContact C-N 3.28Å; A127-I129 PolarHBondContact O-N 2.98Å; A127-R130 WeakPolarHBondContact O-CG 3.42Å; A127-R130 PolarHBondContact O-N 3.02Å
128S53.2Low75.7Confident73 Ų7351.9 Ų51.951%0.5127%0.271SS..THydrogen-bonded Turntrans-71.1-25.8-178.451.50000112.9S125S125-S128 PolarHBondContact O-N 2.86Å; S125-S128 VanDerWaalsContact O-N 3.12Å; S125-S128 PolarHBondContact O-OG 2.89Å
129I59Low75.5Confident4 Ų447.2 Ų47.22%0.02125%0.251CS..THydrogen-bonded Turntrans-105.230.7178.154.4168.9000112.8A127 A132 I159 R179 F180 D181A127-I129 VanDerWaalsContact C-N 3.28Å; A127-I129 PolarHBondContact O-N 2.98Å; I129-A132 HydrophobicContact CB-CB 4.02Å; I129-A132 HydrophobicContact CG2-CB 4.04Å; I129-I159 HydrophobicContact CD1-CD1 3.29Å; I129-I159 HydrophobicContact CG1-CD1 4.46Å; I129-I159 HydrophobicContact CG2-CD1 4.3Å; I129-R179 PolarHBondContact O-NE 2.75Å; I129-R179 PolarHBondContact O-NH2 3.37Å; I129-F180 WeakPolarHBondContact CG2-O 3.4Å; I129-D181 WeakPolarHBondContact CG2-O 3.5Å
130R59.4Low75.1Confident139 Ų13947.7 Ų47.753%0.52525%0.254SS..SBendtrans-71.6-40.6168.3-69.6-171.8-174.2168.515.9111.4S126 A127S126-R130 WeakPolarHBondContact O-CG 3.4Å; S126-R130 PolarHBondContact O-NE 3.41Å; S126-R130 VanDerWaalsContact O-NE 3.09Å; A127-R130 WeakPolarHBondContact O-CG 3.42Å; A127-R130 PolarHBondContact O-N 3.02Å
131D65.2Low74.7Confident88 Ų8853.5 Ų53.547%0.47128%0.275SS..SBendtrans-104.412.7-174.4-44.3-57.8000111.6F209D131-F209 WeakPolarHBondContact O-CD1 3.45Å; D131-F209 WeakPolarHBondContact O-CE1 3.32Å
132A79.8Confident74.5Confident0 Ų055 Ų550%029%0.293CS..  trans-93.79.8172.500000113I129 F180I129-A132 HydrophobicContact CB-CB 4.02Å; I129-A132 HydrophobicContact CG2-CB 4.04Å; A132-F180 HydrophobicContact CB-CB 4.38Å; A132-F180 WeakPolarHBondContact CB-O 3.35Å; A132-F180 PolarHBondContact O-N 3.01Å
133N87.3Confident74.7Confident35 Ų3555.7 Ų55.719%0.18730%0.296CS..EExtended strand (participates in β ladder)trans-84126.4172.1-68.19.4000109.7I178 R179 A210N133-I178 CarbonylContact C-O 3.57Å; N133-I178 WeakPolarHBondContact CA-O 3.28Å; N133-R179 WeakPolarHBondContact OD1-CD 3.25Å; N133-R179 WeakPolarHBondContact OD1-CG 3.14Å; N133-R179 PolarHBondContact OD1-NE 3.4Å; N133-A210 HydrophobicContact CB-CB 3.94Å; N133-A210 PolarHBondContact O-N 2.85Å
134L89.3Confident75.5Confident0 Ų050.5 Ų50.50%028%0.284CS..EExtended strand (participates in β ladder)trans-105.3144.3171-59.1-172000111.5F152 F177 I178 F180 A186 A189 I190 V207 K208 F209L134-F152 HydrophobicContact CD1-CD1 4.42Å; L134-F152 HydrophobicContact CD1-CE1 4.17Å; L134-F177 VanDerWaalsContact O-CA 3.32Å; L134-F177 WeakPolarHBondContact O-CA 3.48Å; L134-I178 PolarHBondContact N-O 2.93Å; L134-I178 PolarHBondContact O-N 2.76Å; L134-F180 HydrophobicContact CD1-CD2 4.06Å; L134-F180 HydrophobicContact CD1-CE2 3.68Å; L134-F180 HydrophobicContact CG-CD2 4.34Å; L134-F180 HydrophobicContact CG-CE2 4.39Å; L134-A186 HydrophobicContact CD1-CB 4.3Å; L134-A186 HydrophobicContact CD2-CB 3.91Å; L134-A186 HydrophobicContact CG-CB 4.08Å; L134-A189 HydrophobicContact CD1-CB 3.9Å; L134-I190 HydrophobicContact CD1-CG1 4.27Å; L134-I190 HydrophobicContact CD2-CD1 3.52Å; L134-I190 HydrophobicContact CD2-CG1 3.64Å; L134-V207 HydrophobicContact CB-CG1 4.46Å; L134-V207 HydrophobicContact CD1-CG1 3.75Å; L134-K208 CarbonylContact C-O 3.53Å; L134-K208 WeakPolarHBondContact CA-O 3.34Å; L134-F209 HydrophobicContact CD2-CD1 3.83Å; L134-F209 HydrophobicContact CD2-CE1 4.08Å
135Y90.8Very high76.7Confident80 Ų8053.3 Ų53.331%0.31429%0.294SS..EExtended strand (participates in β ladder)trans-104.1129.3166.4172.9-91.3000107.5S137 V175 F177 K208Y135-S137 WeakPolarHBondContact CE1-OG 3.28Å; Y135-V175 HydrophobicContact CD2-CG1 4.19Å; Y135-V175 HydrophobicContact CE2-CG1 3.45Å; Y135-V175 VanDerWaalsContact CE2-CG1 3.45Å; Y135-F177 HydrophobicContact CD2-CD1 4.43Å; Y135-F177 AromaticContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE2 4.39Å; Y135-F177 AromaticContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CE2-CZ 4.22Å; Y135-K208 PolarHBondContact N-O 3.17Å; Y135-K208 PolarHBondContact O-N 3.5Å
136V90.5Very high78.2Confident0 Ų057.8 Ų57.80%031%0.305CS..EExtended strand (participates in β ladder)trans-121.6126.5179.5-170.50000108.2L139 L148 F152 V175 G176 I178 I205 T206 V207V136-L139 HydrophobicContact CB-CD1 4.36Å; V136-L139 HydrophobicContact CG1-CD1 4.13Å; V136-L139 HydrophobicContact CG1-CD2 3.77Å; V136-L139 HydrophobicContact CG1-CG 3.92Å; V136-L148 HydrophobicContact CG1-CD1 4.45Å; V136-F152 HydrophobicContact CB-CZ 4.46Å; V136-F152 HydrophobicContact CG1-CE2 4.33Å; V136-F152 HydrophobicContact CG1-CZ 4.03Å; V136-F152 HydrophobicContact CG2-CE1 4.02Å; V136-F152 HydrophobicContact CG2-CE2 4.19Å; V136-F152 HydrophobicContact CG2-CZ 3.53Å; V136-V175 CarbonylContact O-C 3.54Å; V136-V175 VanDerWaalsContact O-CA 3.3Å; V136-V175 WeakPolarHBondContact O-CA 3.21Å; V136-G176 PolarHBondContact N-O 3.2Å; V136-G176 PolarHBondContact O-N 2.96Å; V136-I178 HydrophobicContact CG2-CD1 3.94Å; V136-I178 HydrophobicContact CG2-CG1 4.31Å; V136-I205 HydrophobicContact CG1-CB 4.39Å; V136-T206 WeakPolarHBondContact CA-O 3.44Å; V136-V207 HydrophobicContact CG1-CG2 4.32Å; V136-V207 HydrophobicContact CG2-CG1 4.48Å
137S89.3Confident79.7Confident25 Ų2559.3 Ų59.318%0.17531%0.305CS..EExtended strand (participates in β ladder)trans-133.6158.7175.360.10000111.9Y135 G174 I205 T206Y135-S137 WeakPolarHBondContact CE1-OG 3.28Å; S137-G174 CarbonylContact C-O 3.59Å; S137-G174 WeakPolarHBondContact CA-O 3.4Å; S137-I205 CarbonylContact O-C 3.52Å; S137-I205 VanDerWaalsContact O-CA 3.32Å; S137-I205 WeakPolarHBondContact O-CA 3.37Å; S137-T206 PolarHBondContact N-O 2.86Å; S137-T206 PolarHBondContact O-N 2.83Å
138G85.5Confident81.5Confident17 Ų1757.1 Ų57.118%0.17529%0.287CS..SBendtrans86.815.8-170.500000112.8G174G138-G174 PolarHBondContact N-O 3.46Å
139L86.8Confident83.2Confident8 Ų857.6 Ų57.64%0.04228%0.281CS..  trans-69143.7176-65.1171.3000110.6V136 M143 L148 G174 I205V136-L139 HydrophobicContact CB-CD1 4.36Å; V136-L139 HydrophobicContact CG1-CD1 4.13Å; V136-L139 HydrophobicContact CG1-CD2 3.77Å; V136-L139 HydrophobicContact CG1-CG 3.92Å; L139-M143 HydrophobicContact CD2-CE 4.41Å; L139-M143 HydrophobicContact CD2-SD 3.76Å; L139-L148 HydrophobicContact CD1-CD1 3.9Å; L139-L148 HydrophobicContact CD1-CD2 4.04Å; L139-L148 HydrophobicContact CD2-CD1 3.7Å; L139-L148 HydrophobicContact CG-CD1 4.48Å; L139-G174 PolarHBondContact N-O 3.01Å; L139-G174 WeakPolarHBondContact O-CA 3.11Å; L139-I205 HydrophobicContact CD2-CG2 3.88Å
140P83.5Confident84.6Confident11 Ų1163.7 Ų63.77%0.07131%0.31CS..  trans-55.6144.3170.8-16.324.3000111.7T142 M143 A201P140-T142 PolarHBondContact O-N 3.48Å; P140-M143 HydrophobicContact CB-CB 3.91Å; P140-M143 HydrophobicContact CG-CB 3.86Å; P140-M143 HydrophobicContact CG-SD 4.15Å; P140-M143 WeakPolarHBondContact O-CB 3.25Å; P140-M143 PolarHBondContact O-N 2.8Å; P140-A201 HydrophobicContact CG-CB 3.87Å
141K82.8Confident85.9Confident159 Ų15958.9 Ų58.969%0.69129%0.294SS*.THydrogen-bonded Turntrans-62.7-24.3173.2-70.6-176.6170.6177.90113V171 S172K141-V171 HydrophobicContact CD-CG1 3.98Å; K141-V171 HydrophobicContact CG-CG1 4.38Å; K141-S172 WeakPolarHBondContact O-CB 3.03Å
142T83.5Confident87Confident119 Ų11954.7 Ų54.773%0.7327%0.272SS*.THydrogen-bonded Turntrans-82-17.2175.646.70000113.9P140 T144P140-T142 PolarHBondContact O-N 3.48Å; T142-T144 PolarHBondContact O-N 3.06Å
143M84.1Confident87.5Confident22 Ų2257.7 Ų57.711%0.10829%0.293CS..  trans-75126.4-170.3-170.7166.7178.800111.2L139 P140 E147 L148 L151 I163L139-M143 HydrophobicContact CD2-CE 4.41Å; L139-M143 HydrophobicContact CD2-SD 3.76Å; P140-M143 HydrophobicContact CB-CB 3.91Å; P140-M143 HydrophobicContact CG-CB 3.86Å; P140-M143 HydrophobicContact CG-SD 4.15Å; P140-M143 WeakPolarHBondContact O-CB 3.25Å; P140-M143 PolarHBondContact O-N 2.8Å; M143-E147 HydrophobicContact CE-CB 4.05Å; M143-E147 HydrophobicContact CG-CB 4.09Å; M143-L148 HydrophobicContact CE-CB 4.2Å; M143-L148 HydrophobicContact CE-CD1 4.29Å; M143-L151 HydrophobicContact CE-CD2 4.11Å; M143-I163 WeakPolarHBondContact O-CD1 3.38Å
144T87.9Confident87.6Confident68 Ų6862.1 Ų62.142%0.41731%0.312SS..  trans-86.5161.9-177.767.70000112.1T142 K146 E147 L148 I163T142-T144 PolarHBondContact O-N 3.06Å; T144-K146 PolarHBondContact O-N 2.74Å; T144-E147 VanDerWaalsContact CB-OE2 3.27Å; T144-E147 WeakPolarHBondContact CB-OE2 3.46Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.45Å; T144-E147 PolarHBondContact N-OE2 3.12Å; T144-E147 PolarHBondContact O-N 3.42Å; T144-E147 WeakPolarHBondContact OG1-CG 3.38Å; T144-E147 PolarHBondContact OG1-N 2.86Å; T144-E147 PolarHBondContact OG1-OE2 2.71Å; T144-L148 PolarHBondContact O-N 2.84Å; T144-L148 VanDerWaalsContact O-N 3.07Å; T144-I163 VanDerWaalsContact C-CD1 3.46Å
145Q87.9Confident87.5Confident96 Ų9664.8 Ų64.845%0.44932%0.323SS..Hα-helixtrans-57.9-34173.1-179.7177.7-2000112.1L148 E149 S161Q145-L148 PolarHBondContact O-N 3.46Å; Q145-E149 WeakPolarHBondContact O-CB 3.35Å; Q145-E149 PolarHBondContact O-N 3.38Å; Q145-S161 WeakPolarHBondContact CG-OG 3.44Å; Q145-S161 PolarHBondContact NE2-O 3.32Å; Q145-S161 PolarHBondContact NE2-OG 2.72Å
146K88.3Confident87.2Confident161 Ų16161.9 Ų61.970%0.732%0.317SS*.Hα-helixtrans-68.7-43.2179.5-173.3-175.2176.5-172.10112T144 L148 E149 Q150T144-K146 PolarHBondContact O-N 2.74Å; K146-L148 VanDerWaalsContact C-N 3.33Å; K146-E149 PolarHBondContact O-N 3.38Å; K146-Q150 WeakPolarHBondContact O-CB 3.47Å; K146-Q150 PolarHBondContact O-N 3.42Å
147E88.2Confident87Confident94 Ų9470.3 Ų70.344%0.43935%0.349SS..Hα-helixtrans-67.6-36.6176.7-67.8157.1127.100111.4M143 T144 Q150 L151M143-E147 HydrophobicContact CE-CB 4.05Å; M143-E147 HydrophobicContact CG-CB 4.09Å; T144-E147 VanDerWaalsContact CB-OE2 3.27Å; T144-E147 WeakPolarHBondContact CB-OE2 3.46Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.45Å; T144-E147 PolarHBondContact N-OE2 3.12Å; T144-E147 PolarHBondContact O-N 3.42Å; T144-E147 WeakPolarHBondContact OG1-CG 3.38Å; T144-E147 PolarHBondContact OG1-N 2.86Å; T144-E147 PolarHBondContact OG1-OE2 2.71Å; E147-Q150 PolarHBondContact O-N 3.41Å; E147-L151 WeakPolarHBondContact O-CB 3.35Å; E147-L151 PolarHBondContact O-N 3.14Å
148L88.4Confident86.9Confident0 Ų070.5 Ų70.50%035%0.348CS..Hα-helixtrans-63.4-43.7173.1-175.466.2000111.9V136 L139 M143 T144 Q145 K146 F152 I163 I178V136-L148 HydrophobicContact CG1-CD1 4.45Å; L139-L148 HydrophobicContact CD1-CD1 3.9Å; L139-L148 HydrophobicContact CD1-CD2 4.04Å; L139-L148 HydrophobicContact CD2-CD1 3.7Å; L139-L148 HydrophobicContact CG-CD1 4.48Å; M143-L148 HydrophobicContact CE-CB 4.2Å; M143-L148 HydrophobicContact CE-CD1 4.29Å; T144-L148 PolarHBondContact O-N 2.84Å; T144-L148 VanDerWaalsContact O-N 3.07Å; Q145-L148 PolarHBondContact O-N 3.46Å; K146-L148 VanDerWaalsContact C-N 3.33Å; L148-F152 HydrophobicContact CD1-CD2 3.92Å; L148-F152 HydrophobicContact CD1-CE2 3.69Å; L148-F152 WeakPolarHBondContact O-CD2 3.36Å; L148-F152 PolarHBondContact O-N 3.32Å; L148-I163 HydrophobicContact CB-CD1 4.47Å; L148-I163 HydrophobicContact CD2-CD1 4.22Å; L148-I163 HydrophobicContact CD2-CG1 3.76Å; L148-I178 HydrophobicContact CD1-CD1 3.88Å; L148-I178 HydrophobicContact CD2-CD1 4.2Å; L148-I178 HydrophobicContact CD2-CG1 4.17Å; L148-I178 HydrophobicContact CG-CD1 3.76Å; L148-I178 HydrophobicContact CG-CG1 4.24Å
149E89.8Confident86.8Confident84 Ų8471.2 Ų71.239%0.39335%0.347SS..Hα-helixtrans-64.5-45175.4-166.1166123.200111.2Q145 K146 F152 S153 I158 S161Q145-E149 WeakPolarHBondContact O-CB 3.35Å; Q145-E149 PolarHBondContact O-N 3.38Å; K146-E149 PolarHBondContact O-N 3.38Å; E149-F152 PolarHBondContact O-N 3.04Å; E149-S153 WeakPolarHBondContact O-CB 3.25Å; E149-S153 PolarHBondContact O-N 3.18Å; E149-S153 PolarHBondContact O-OG 2.69Å; E149-I158 HydrophobicContact CB-CD1 4.42Å; E149-I158 HydrophobicContact CG-CB 4.43Å; E149-I158 HydrophobicContact CG-CD1 3.81Å; E149-I158 HydrophobicContact CG-CG2 4.33Å; E149-I158 VanDerWaalsContact O-CD1 3.3Å; E149-I158 WeakPolarHBondContact O-CD1 3.25Å; E149-S161 VanDerWaalsContact OE2-CB 3.31Å; E149-S161 WeakPolarHBondContact OE2-CB 3.35Å; E149-S161 PolarHBondContact OE2-OG 3.48Å
150Q88.6Confident86.6Confident132 Ų13274.5 Ų74.562%0.61737%0.368SS*.Hα-helixtrans-60-49.1178.1-174.1172-21.100112.1K146 E147 F152 S153K146-Q150 WeakPolarHBondContact O-CB 3.47Å; K146-Q150 PolarHBondContact O-N 3.42Å; E147-Q150 PolarHBondContact O-N 3.41Å; Q150-F152 VanDerWaalsContact C-N 3.3Å; Q150-F152 PolarHBondContact O-N 3.07Å; Q150-S153 PolarHBondContact O-N 3.27Å; Q150-S153 PolarHBondContact O-OG 2.88Å
151L87.4Confident86.9Confident37 Ų3774.5 Ų74.519%0.19437%0.368CS..Hα-helixtrans-59.6-36.8179.3179.964.6000113.3M143 E147 Q154 L193 P198 I205M143-L151 HydrophobicContact CE-CD2 4.11Å; E147-L151 WeakPolarHBondContact O-CB 3.35Å; E147-L151 PolarHBondContact O-N 3.14Å; L151-Q154 WeakPolarHBondContact O-CG 3.35Å; L151-L193 HydrophobicContact CD1-CD2 4.09Å; L151-L193 HydrophobicContact CG-CD1 4.27Å; L151-L193 HydrophobicContact CG-CD2 4.21Å; L151-P198 HydrophobicContact CD2-CB 4.23Å; L151-I205 HydrophobicContact CD2-CD1 4.17Å
152F88.5Confident87.1Confident0 Ų074.9 Ų74.90%037%0.365CS..Hα-helixtrans-90.3-22.1-177.7-81.8-104000113.1L134 V136 L148 E149 Q150 Q154 Y155 I158 I178 F180 A189 L193 I205 V207L134-F152 HydrophobicContact CD1-CD1 4.42Å; L134-F152 HydrophobicContact CD1-CE1 4.17Å; V136-F152 HydrophobicContact CB-CZ 4.46Å; V136-F152 HydrophobicContact CG1-CE2 4.33Å; V136-F152 HydrophobicContact CG1-CZ 4.03Å; V136-F152 HydrophobicContact CG2-CE1 4.02Å; V136-F152 HydrophobicContact CG2-CE2 4.19Å; V136-F152 HydrophobicContact CG2-CZ 3.53Å; L148-F152 HydrophobicContact CD1-CD2 3.92Å; L148-F152 HydrophobicContact CD1-CE2 3.69Å; L148-F152 WeakPolarHBondContact O-CD2 3.36Å; L148-F152 PolarHBondContact O-N 3.32Å; E149-F152 PolarHBondContact O-N 3.04Å; Q150-F152 VanDerWaalsContact C-N 3.3Å; Q150-F152 PolarHBondContact O-N 3.07Å; F152-Q154 PolarHBondContact O-N 3.23Å; F152-Q154 VanDerWaalsContact O-N 3.15Å; F152-Y155 PolarHBondContact O-N 3.28Å; F152-Y155 VanDerWaalsContact O-N 3.08Å; F152-I158 HydrophobicContact CB-CD1 3.73Å; F152-I178 HydrophobicContact CB-CD1 3.77Å; F152-I178 HydrophobicContact CD1-CD1 3.47Å; F152-I178 VanDerWaalsContact CD1-CD1 3.47Å; F152-I178 HydrophobicContact CD2-CD1 3.35Å; F152-I178 HydrophobicContact CE1-CD1 3.78Å; F152-I178 HydrophobicContact CE2-CD1 3.67Å; F152-I178 HydrophobicContact CG-CD1 3.23Å; F152-I178 HydrophobicContact CZ-CD1 3.87Å; F152-F180 HydrophobicContact CB-CZ 3.99Å; F152-F180 HydrophobicContact CD1-CE2 4.08Å; F152-F180 HydrophobicContact CD1-CZ 4.08Å; F152-F180 WeakPolarHBondContact O-CZ 3.5Å; F152-A189 HydrophobicContact CD1-CB 4.15Å; F152-A189 HydrophobicContact CE1-CB 4.47Å; F152-L193 HydrophobicContact CD1-CD1 3.58Å; F152-L193 HydrophobicContact CD2-CD1 3.74Å; F152-L193 HydrophobicContact CE1-CD1 3.5Å; F152-L193 VanDerWaalsContact CE1-CD1 3.5Å; F152-L193 HydrophobicContact CE2-CD1 3.65Å; F152-L193 HydrophobicContact CG-CD1 3.72Å; F152-L193 HydrophobicContact CZ-CB 4.43Å; F152-L193 HydrophobicContact CZ-CD1 3.53Å; F152-I205 HydrophobicContact CE2-CD1 4.4Å; F152-I205 HydrophobicContact CZ-CD1 4.44Å; F152-V207 HydrophobicContact CE1-CG1 3.78Å; F152-V207 HydrophobicContact CE1-CG2 4.15Å; F152-V207 HydrophobicContact CZ-CG1 4.17Å; F152-V207 HydrophobicContact CZ-CG2 3.73Å
153S89.4Confident87.4Confident63 Ų6370.3 Ų70.344%0.44134%0.336SS..Hα-helixtrans-60.8-23.3-179.7670000114.1E149 Q150 Y155 G156E149-S153 WeakPolarHBondContact O-CB 3.25Å; E149-S153 PolarHBondContact O-N 3.18Å; E149-S153 PolarHBondContact O-OG 2.69Å; Q150-S153 PolarHBondContact O-N 3.27Å; Q150-S153 PolarHBondContact O-OG 2.88Å; S153-Y155 PolarHBondContact O-N 2.87Å; S153-G156 PolarHBondContact O-N 2.77Å
154Q88.6Confident87.5Confident129 Ų12971.8 Ų71.860%0.60334%0.344SS*.THydrogen-bonded Turntrans-67.4-15.5175.876.3-172.525.100114.3L151 F152L151-Q154 WeakPolarHBondContact O-CG 3.35Å; F152-Q154 PolarHBondContact O-N 3.23Å; F152-Q154 VanDerWaalsContact O-N 3.15Å
155Y87.7Confident87.5Confident56 Ų5672.5 Ų72.522%0.2235%0.348CS..THydrogen-bonded Turntrans-101.5-8.5178.4-62.8-82.9000113.7F152 S153 E185 E188 A189 L193F152-Y155 PolarHBondContact O-N 3.28Å; F152-Y155 VanDerWaalsContact O-N 3.08Å; S153-Y155 PolarHBondContact O-N 2.87Å; Y155-E185 WeakPolarHBondContact O-CB 3.48Å; Y155-E188 HydrophobicContact CD1-CB 4.37Å; Y155-A189 HydrophobicContact CD2-CB 4.18Å; Y155-A189 HydrophobicContact CG-CB 3.92Å; Y155-L193 HydrophobicContact CD2-CD1 3.93Å; Y155-L193 HydrophobicContact CD2-CG 4.26Å; Y155-L193 HydrophobicContact CE2-CD1 3.53Å; Y155-L193 HydrophobicContact CE2-CD2 3.83Å; Y155-L193 HydrophobicContact CE2-CG 3.45Å; Y155-L193 VanDerWaalsContact CE2-CG 3.45Å
156G85.3Confident87.3Confident19 Ų1970.1 Ų70.120%0.19634%0.338CS..SBendtrans157.3-179-176.800000114.9S153 I158 E185S153-G156 PolarHBondContact O-N 2.77Å; G156-I158 PolarHBondContact O-N 2.66Å; G156-E185 VanDerWaalsContact CA-OE2 3.28Å; G156-E185 WeakPolarHBondContact CA-OE2 3.22Å
157R85.2Confident86.9Confident177 Ų17771.4 Ų71.467%0.66835%0.347SS*.  trans-83.7115.2-174.2-179.6176.9-66.5-110.2-0.3110.2F180 D181 E185R157-F180 CarbonylContact O-C 3.52Å; R157-F180 WeakPolarHBondContact O-CA 3.13Å; R157-D181 HydrophobicContact CB-CB 3.83Å; R157-D181 HydrophobicContact CG-CB 4.1Å; R157-D181 WeakPolarHBondContact O-CB 3.36Å; R157-D181 PolarHBondContact O-N 2.89Å; R157-E185 PolarHBondContact N-OE2 2.83Å
158I88.2Confident86.5Confident29 Ų2973.4 Ų73.415%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-81.1126.8175.6-62.8169.8000109.7E149 F152 G156 I178 R179 F180E149-I158 HydrophobicContact CB-CD1 4.42Å; E149-I158 HydrophobicContact CG-CB 4.43Å; E149-I158 HydrophobicContact CG-CD1 3.81Å; E149-I158 HydrophobicContact CG-CG2 4.33Å; E149-I158 VanDerWaalsContact O-CD1 3.3Å; E149-I158 WeakPolarHBondContact O-CD1 3.25Å; F152-I158 HydrophobicContact CB-CD1 3.73Å; G156-I158 PolarHBondContact O-N 2.66Å; I158-I178 HydrophobicContact CD1-CG2 4Å; I158-I178 HydrophobicContact CG1-CG2 3.9Å; I158-I178 HydrophobicContact CG2-CG2 4.01Å; I158-R179 CarbonylContact C-O 3.56Å; I158-R179 WeakPolarHBondContact CA-O 3.5Å; I158-F180 HydrophobicContact CG1-CD1 4.37Å; I158-F180 HydrophobicContact CG1-CE1 4.01Å; I158-F180 HydrophobicContact CG1-CZ 4.24Å
159I83.1Confident86.2Confident32 Ų3277.7 Ų77.716%0.16439%0.392CS..EExtended strand (participates in β ladder)trans-85.5-43.7172-58.9179.6000110.5I129 R179 D181I129-I159 HydrophobicContact CD1-CD1 3.29Å; I129-I159 HydrophobicContact CG1-CD1 4.46Å; I129-I159 HydrophobicContact CG2-CD1 4.3Å; I159-R179 HydrophobicContact CB-CG 4.36Å; I159-R179 PolarHBondContact N-O 3.1Å; I159-D181 HydrophobicContact CD1-CB 4.32Å; I159-D181 WeakPolarHBondContact CD1-OD1 3.31Å; I159-D181 HydrophobicContact CG1-CB 4.18Å
160T83.3Confident85.7Confident77 Ų7776.1 Ų76.147%0.47240%0.398SS..EExtended strand (participates in β ladder)trans-147.4126.6177.357.50000111.1I178 R179T160-I178 CarbonylContact O-C 3.49Å; T160-I178 WeakPolarHBondContact O-CA 3.5Å; T160-R179 PolarHBondContact O-N 3.44Å; T160-R179 WeakPolarHBondContact OG1-CB 3.35Å
161S88.5Confident85.2Confident11 Ų1173 Ų738%0.07739%0.387CS..EExtended strand (participates in β ladder)trans-96.8151.8160.358.20000109.8Q145 E149 F177Q145-S161 WeakPolarHBondContact CG-OG 3.44Å; Q145-S161 PolarHBondContact NE2-O 3.32Å; Q145-S161 PolarHBondContact NE2-OG 2.72Å; E149-S161 VanDerWaalsContact OE2-CB 3.31Å; E149-S161 WeakPolarHBondContact OE2-CB 3.35Å; E149-S161 PolarHBondContact OE2-OG 3.48Å; S161-F177 CarbonylContact C-O 3.59Å
162R87Confident85Confident166 Ų16671.8 Ų71.863%0.62638%0.382SS*.EExtended strand (participates in β ladder)trans-159.7136.7167.8-178.2172.5-178.4171.93.6111G176 F177R162-G176 CarbonylContact O-C 3.52Å; R162-G176 WeakPolarHBondContact O-CA 3.34Å; R162-F177 PolarHBondContact N-O 3.1Å; R162-F177 PolarHBondContact O-N 3.49Å
163I90Very high84.8Confident23 Ų2379.8 Ų79.812%0.11841%0.413CS..EExtended strand (participates in β ladder)trans-99.9144.2167.4-65.7-177000109.9M143 T144 L148M143-I163 WeakPolarHBondContact O-CD1 3.38Å; T144-I163 VanDerWaalsContact C-CD1 3.46Å; L148-I163 HydrophobicContact CB-CD1 4.47Å; L148-I163 HydrophobicContact CD2-CD1 4.22Å; L148-I163 HydrophobicContact CD2-CG1 3.76Å
164L87.1Confident84.6Confident54 Ų5477.3 Ų77.328%0.28340%0.397SS..EExtended strand (participates in β ladder)trans-87.9104.4169.4-96.559.9000109.2R173 V175 F177L164-R173 WeakPolarHBondContact O-CB 3.26Å; L164-R173 PolarHBondContact O-N 3.46Å; L164-V175 HydrophobicContact CB-CB 4.39Å; L164-V175 HydrophobicContact CB-CG1 4.47Å; L164-V175 HydrophobicContact CD2-CG1 4.22Å; L164-V175 PolarHBondContact N-O 3.25Å; L164-F177 HydrophobicContact CD1-CD2 3.57Å; L164-F177 HydrophobicContact CD1-CE2 3.56Å; L164-F177 HydrophobicContact CD2-CE2 3.95Å; L164-F177 HydrophobicContact CG-CE2 4.41Å
165V87.1Confident84.6Confident83 Ų8372.1 Ų72.150%0.50337%0.374SS..EExtended strand (participates in β ladder)trans-79.9151.1158.7-64.10000110V171V165-V171 CarbonylContact C-O 3.6Å; V165-V171 WeakPolarHBondContact CA-O 3.03Å
166D84.3Confident84.7Confident46 Ų4669.4 Ų69.425%0.24636%0.363CS..  trans-70.5137.3162.7171.936.1000109.6V168 T169 G170 V171 R173D166-V168 PolarHBondContact OD1-N 3.45Å; D166-T169 WeakPolarHBondContact OD2-CB 2.99Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.13Å; D166-T169 PolarHBondContact OD2-N 3.05Å; D166-T169 PolarHBondContact OD2-OG1 3.01Å; D166-G170 WeakPolarHBondContact O-CA 3.33Å; D166-G170 PolarHBondContact O-N 2.96Å; D166-V171 PolarHBondContact N-O 2.81Å; D166-R173 HydrophobicContact CB-CG 4.04Å
167Q78.9Confident85Confident187 Ų18771.9 Ų71.987%0.87437%0.369SS*.THydrogen-bonded Turntrans-78.8-21.4-177.2-66.2-178.7-0.200112.6
168V81.1Confident85.3Confident136 Ų13663.6 Ų63.682%0.82434%0.337SS*.THydrogen-bonded Turntrans-86.4-47.2-179.9-175.90000111.1D166D166-V168 PolarHBondContact OD1-N 3.45Å
169T81.1Confident85.2Confident91 Ų9164.5 Ų64.556%0.55834%0.339SS*.THydrogen-bonded Turntrans-97-12.6-176.862.20000114.6D166 V171D166-T169 WeakPolarHBondContact OD2-CB 2.99Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.13Å; D166-T169 PolarHBondContact OD2-N 3.05Å; D166-T169 PolarHBondContact OD2-OG1 3.01Å; T169-V171 PolarHBondContact O-N 2.86Å; T169-V171 VanDerWaalsContact O-N 3.13Å; T169-V171 PolarHBondContact OG1-N 2.81Å
170G78.4Confident85.4Confident51 Ų5163 Ų6353%0.52633%0.331SS..  trans71.1-5.8-172.900000114.8D166D166-G170 WeakPolarHBondContact O-CA 3.33Å; D166-G170 PolarHBondContact O-N 2.96Å
171V79.6Confident85.3Confident65 Ų6560.8 Ų60.839%0.39432%0.317SS..  trans-77.3140.3-174.1-178.30000110.9K141 V165 D166 T169 R173K141-V171 HydrophobicContact CD-CG1 3.98Å; K141-V171 HydrophobicContact CG-CG1 4.38Å; V165-V171 CarbonylContact C-O 3.6Å; V165-V171 WeakPolarHBondContact CA-O 3.03Å; D166-V171 PolarHBondContact N-O 2.81Å; T169-V171 PolarHBondContact O-N 2.86Å; T169-V171 VanDerWaalsContact O-N 3.13Å; T169-V171 PolarHBondContact OG1-N 2.81Å; V171-R173 PolarHBondContact O-N 3.43Å
172S83.3Confident85Confident13 Ų1365.7 Ų65.79%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-56128.7170.81740000111.1K141 G174K141-S172 WeakPolarHBondContact O-CB 3.03Å; S172-G174 PolarHBondContact O-N 3.03Å; S172-G174 PolarHBondContact OG-N 3.41Å
173R83.2Confident84.8Confident168 Ų16862.4 Ų62.463%0.63432%0.324SS*.EExtended strand (participates in β ladder)trans-77.66.8176.6-62.3-173.762.6163.40.9113.2L164 D166 V171 V175L164-R173 WeakPolarHBondContact O-CB 3.26Å; L164-R173 PolarHBondContact O-N 3.46Å; D166-R173 HydrophobicContact CB-CG 4.04Å; V171-R173 PolarHBondContact O-N 3.43Å; R173-V175 PolarHBondContact O-N 3.11Å
174G85.1Confident84.6Confident10 Ų1066.6 Ų66.610%0.10335%0.346CS..EExtended strand (participates in β ladder)trans66.322.5-173.700000113.5S137 G138 L139 S172S137-G174 CarbonylContact C-O 3.59Å; S137-G174 WeakPolarHBondContact CA-O 3.4Å; G138-G174 PolarHBondContact N-O 3.46Å; L139-G174 PolarHBondContact N-O 3.01Å; L139-G174 WeakPolarHBondContact O-CA 3.11Å; S172-G174 PolarHBondContact O-N 3.03Å; S172-G174 PolarHBondContact OG-N 3.41Å
175V89.1Confident84.7Confident20 Ų2065.1 Ų65.112%0.12134%0.337CS..EExtended strand (participates in β ladder)trans-129.9136.4-175.3172.40000110.1Y135 V136 L164 R173 F177Y135-V175 HydrophobicContact CD2-CG1 4.19Å; Y135-V175 HydrophobicContact CE2-CG1 3.45Å; Y135-V175 VanDerWaalsContact CE2-CG1 3.45Å; V136-V175 CarbonylContact O-C 3.54Å; V136-V175 VanDerWaalsContact O-CA 3.3Å; V136-V175 WeakPolarHBondContact O-CA 3.21Å; L164-V175 HydrophobicContact CB-CB 4.39Å; L164-V175 HydrophobicContact CB-CG1 4.47Å; L164-V175 HydrophobicContact CD2-CG1 4.22Å; L164-V175 PolarHBondContact N-O 3.25Å; R173-V175 PolarHBondContact O-N 3.11Å; V175-F177 HydrophobicContact CG1-CE2 4.44Å
176G90.6Very high84.7Confident0 Ų061.2 Ų61.20%031%0.313CS..EExtended strand (participates in β ladder)trans-138.3162.7175.500000112.8V136 R162V136-G176 PolarHBondContact N-O 3.2Å; V136-G176 PolarHBondContact O-N 2.96Å; R162-G176 CarbonylContact O-C 3.52Å; R162-G176 WeakPolarHBondContact O-CA 3.34Å
177F91.5Very high84.9Confident71 Ų7162.6 Ų62.631%0.31132%0.319SS..EExtended strand (participates in β ladder)trans-123.6138.9170.7-68.1-92000109.1L134 Y135 S161 R162 L164 V175 A210L134-F177 VanDerWaalsContact O-CA 3.32Å; L134-F177 WeakPolarHBondContact O-CA 3.48Å; Y135-F177 HydrophobicContact CD2-CD1 4.43Å; Y135-F177 AromaticContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE1 3.74Å; Y135-F177 HydrophobicContact CD2-CE2 4.39Å; Y135-F177 AromaticContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CD2-CZ 3.72Å; Y135-F177 HydrophobicContact CE2-CZ 4.22Å; S161-F177 CarbonylContact C-O 3.59Å; R162-F177 PolarHBondContact N-O 3.1Å; R162-F177 PolarHBondContact O-N 3.49Å; L164-F177 HydrophobicContact CD1-CD2 3.57Å; L164-F177 HydrophobicContact CD1-CE2 3.56Å; L164-F177 HydrophobicContact CD2-CE2 3.95Å; L164-F177 HydrophobicContact CG-CE2 4.41Å; V175-F177 HydrophobicContact CG1-CE2 4.44Å; F177-A210 HydrophobicContact CD1-CB 3.76Å; F177-A210 HydrophobicContact CE1-CB 3.84Å
178I90.5Very high85.4Confident2 Ų259.1 Ų59.11%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-131.7141.6178.1-56.1176.7000107.3N133 L134 V136 L148 F152 I158 T160 F180N133-I178 CarbonylContact C-O 3.57Å; N133-I178 WeakPolarHBondContact CA-O 3.28Å; L134-I178 PolarHBondContact N-O 2.93Å; L134-I178 PolarHBondContact O-N 2.76Å; V136-I178 HydrophobicContact CG2-CD1 3.94Å; V136-I178 HydrophobicContact CG2-CG1 4.31Å; L148-I178 HydrophobicContact CD1-CD1 3.88Å; L148-I178 HydrophobicContact CD2-CD1 4.2Å; L148-I178 HydrophobicContact CD2-CG1 4.17Å; L148-I178 HydrophobicContact CG-CD1 3.76Å; L148-I178 HydrophobicContact CG-CG1 4.24Å; F152-I178 HydrophobicContact CB-CD1 3.77Å; F152-I178 HydrophobicContact CD1-CD1 3.47Å; F152-I178 VanDerWaalsContact CD1-CD1 3.47Å; F152-I178 HydrophobicContact CD2-CD1 3.35Å; F152-I178 HydrophobicContact CE1-CD1 3.78Å; F152-I178 HydrophobicContact CE2-CD1 3.67Å; F152-I178 HydrophobicContact CG-CD1 3.23Å; F152-I178 HydrophobicContact CZ-CD1 3.87Å; I158-I178 HydrophobicContact CD1-CG2 4Å; I158-I178 HydrophobicContact CG1-CG2 3.9Å; I158-I178 HydrophobicContact CG2-CG2 4.01Å; T160-I178 CarbonylContact O-C 3.49Å; T160-I178 WeakPolarHBondContact O-CA 3.5Å; I178-F180 HydrophobicContact CG2-CD2 4.17Å; I178-F180 HydrophobicContact CG2-CE2 3.81Å; I178-F180 HydrophobicContact CG2-CZ 4.39Å
179R86.9Confident85.9Confident48 Ų4852.7 Ų52.718%0.18126%0.263CS..EExtended strand (participates in β ladder)trans-123.1120.1174.8-175.5171.2-156.5-152.51.8109.3S126 I129 N133 I158 I159 T160S126-R179 PolarHBondContact OG-NH1 3.46Å; S126-R179 PolarHBondContact OG-NH2 3.2Å; I129-R179 PolarHBondContact O-NE 2.75Å; I129-R179 PolarHBondContact O-NH2 3.37Å; N133-R179 WeakPolarHBondContact OD1-CD 3.25Å; N133-R179 WeakPolarHBondContact OD1-CG 3.14Å; N133-R179 PolarHBondContact OD1-NE 3.4Å; I158-R179 CarbonylContact C-O 3.56Å; I158-R179 WeakPolarHBondContact CA-O 3.5Å; I159-R179 HydrophobicContact CB-CG 4.36Å; I159-R179 PolarHBondContact N-O 3.1Å; T160-R179 PolarHBondContact O-N 3.44Å; T160-R179 WeakPolarHBondContact OG1-CB 3.35Å
180F87.4Confident86.3Confident0 Ų050 Ų500%025%0.245CC..EExtended strand (participates in β ladder)trans-87.5161.4174-77.1-89.4000112I129 A132 L134 F152 R157 I158 I178 K182 E185 A186 A189I129-F180 WeakPolarHBondContact CG2-O 3.4Å; A132-F180 HydrophobicContact CB-CB 4.38Å; A132-F180 WeakPolarHBondContact CB-O 3.35Å; A132-F180 PolarHBondContact O-N 3.01Å; L134-F180 HydrophobicContact CD1-CD2 4.06Å; L134-F180 HydrophobicContact CD1-CE2 3.68Å; L134-F180 HydrophobicContact CG-CD2 4.34Å; L134-F180 HydrophobicContact CG-CE2 4.39Å; F152-F180 HydrophobicContact CB-CZ 3.99Å; F152-F180 HydrophobicContact CD1-CE2 4.08Å; F152-F180 HydrophobicContact CD1-CZ 4.08Å; F152-F180 WeakPolarHBondContact O-CZ 3.5Å; R157-F180 CarbonylContact O-C 3.52Å; R157-F180 WeakPolarHBondContact O-CA 3.13Å; I158-F180 HydrophobicContact CG1-CD1 4.37Å; I158-F180 HydrophobicContact CG1-CE1 4.01Å; I158-F180 HydrophobicContact CG1-CZ 4.24Å; I178-F180 HydrophobicContact CG2-CD2 4.17Å; I178-F180 HydrophobicContact CG2-CE2 3.81Å; I178-F180 HydrophobicContact CG2-CZ 4.39Å; F180-K182 VanDerWaalsContact C-N 3.3Å; F180-K182 WeakPolarHBondContact CB-O 3.5Å; F180-E185 HydrophobicContact CB-CB 4.29Å; F180-E185 HydrophobicContact CD1-CB 3.86Å; F180-E185 HydrophobicContact CG-CB 4.27Å; F180-A186 HydrophobicContact CB-CB 4.2Å; F180-A186 HydrophobicContact CD2-CB 3.91Å; F180-A186 HydrophobicContact CG-CB 4.28Å; F180-A189 HydrophobicContact CE2-CB 3.87Å; F180-A189 HydrophobicContact CZ-CB 3.79Å
181D80.3Confident86.7Confident31 Ų3156.5 Ų56.517%0.16626%0.259CS..SBendtrans-76.8-16.8175.4-156.346.6000112.7I129 R157 I159I129-D181 WeakPolarHBondContact CG2-O 3.5Å; R157-D181 HydrophobicContact CB-CB 3.83Å; R157-D181 HydrophobicContact CG-CB 4.1Å; R157-D181 WeakPolarHBondContact O-CB 3.36Å; R157-D181 PolarHBondContact O-N 2.89Å; I159-D181 HydrophobicContact CD1-CB 4.32Å; I159-D181 WeakPolarHBondContact CD1-OD1 3.31Å; I159-D181 HydrophobicContact CG1-CB 4.18Å
182K81.8Confident87Confident114 Ų11454.9 Ų54.950%0.49626%0.256SS..SBendtrans-139151.3171.5-53.4-169.6-163.296.40111.9F180 I184 E185 A186F180-K182 VanDerWaalsContact C-N 3.3Å; F180-K182 WeakPolarHBondContact CB-O 3.5Å; K182-I184 VanDerWaalsContact C-N 3.33Å; K182-E185 HydrophobicContact CB-CB 4.42Å; K182-E185 HydrophobicContact CB-CG 4.07Å; K182-E185 WeakPolarHBondContact CD-OE1 3.47Å; K182-E185 WeakPolarHBondContact CG-OE1 3.26Å; K182-E185 IonicContact NZ-OE1 3.18Å; K182-E185 PolarHBondContact NZ-OE1 3.41Å; K182-A186 PolarHBondContact O-N 3.34Å
183R83.3Confident87.1Confident98 Ų9854.3 Ų54.337%0.3725%0.251SS..Hα-helixtrans-65-35.2173.5-174.1-178173.7-72.4-19.2112.5A186 E187 F209R183-A186 WeakPolarHBondContact O-CB 3.3Å; R183-A186 PolarHBondContact O-N 3.4Å; R183-E187 IonicContact CZ-OE1 3.2Å; R183-E187 IonicContact CZ-OE2 2.69Å; R183-E187 IonicContact NH1-OE1 2.8Å; R183-E187 PolarHBondContact NH1-OE1 2.94Å; R183-E187 IonicContact NH1-OE2 2.66Å; R183-E187 PolarHBondContact NH1-OE2 3.45Å; R183-E187 IonicContact NH2-OE1 2.68Å; R183-E187 PolarHBondContact NH2-OE1 3.12Å; R183-E187 IonicContact NH2-OE2 2.89Å; R183-E187 PolarHBondContact O-N 2.79Å; R183-F209 HydrophobicContact CG-CE1 4.44Å; R183-F209 HydrophobicContact CG-CZ 4.48Å
184I85.8Confident87.3Confident111 Ų11149.9 Ų49.957%0.56924%0.241SC*.Hα-helixtrans-64.7-48.5-179.3-58.9172.1000110.5K182 A186 E187 E188K182-I184 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 2.63Å; I184-E187 WeakPolarHBondContact O-CA 3.39Å; I184-E187 WeakPolarHBondContact O-CB 3.41Å; I184-E187 PolarHBondContact O-N 3.47Å; I184-E188 PolarHBondContact O-N 3.47Å
185E88.8Confident87.1Confident23 Ų2351.9 Ų51.911%0.10726%0.261CS..Hα-helixtrans-53.5-38.3173.4-66.7170.1-154.700111.6Y155 G156 R157 F180 K182 A189Y155-E185 WeakPolarHBondContact O-CB 3.48Å; G156-E185 VanDerWaalsContact CA-OE2 3.28Å; G156-E185 WeakPolarHBondContact CA-OE2 3.22Å; R157-E185 PolarHBondContact N-OE2 2.83Å; F180-E185 HydrophobicContact CB-CB 4.29Å; F180-E185 HydrophobicContact CD1-CB 3.86Å; F180-E185 HydrophobicContact CG-CB 4.27Å; K182-E185 HydrophobicContact CB-CB 4.42Å; K182-E185 HydrophobicContact CB-CG 4.07Å; K182-E185 WeakPolarHBondContact CD-OE1 3.47Å; K182-E185 WeakPolarHBondContact CG-OE1 3.26Å; K182-E185 IonicContact NZ-OE1 3.18Å; K182-E185 PolarHBondContact NZ-OE1 3.41Å; E185-A189 WeakPolarHBondContact O-CB 3.33Å; E185-A189 PolarHBondContact O-N 2.85Å
186A88Confident86.8Confident0 Ų054.8 Ų54.80%027%0.273CS..Hα-helixtrans-70.7-32.6175.200000113.6L134 F180 K182 R183 I184 I190 F209L134-A186 HydrophobicContact CD1-CB 4.3Å; L134-A186 HydrophobicContact CD2-CB 3.91Å; L134-A186 HydrophobicContact CG-CB 4.08Å; F180-A186 HydrophobicContact CB-CB 4.2Å; F180-A186 HydrophobicContact CD2-CB 3.91Å; F180-A186 HydrophobicContact CG-CB 4.28Å; K182-A186 PolarHBondContact O-N 3.34Å; R183-A186 WeakPolarHBondContact O-CB 3.3Å; R183-A186 PolarHBondContact O-N 3.4Å; I184-A186 PolarHBondContact O-N 2.63Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.46Å; A186-I190 PolarHBondContact O-N 3.27Å; A186-F209 HydrophobicContact CB-CE1 4.19Å
187E88.5Confident86.2Confident76 Ų7661 Ų6136%0.35530%0.3SS..Hα-helixtrans-70.1-40.3173.4-72.9-176.7129.500112.1R183 I184 I190 K191 F209R183-E187 IonicContact CZ-OE1 3.2Å; R183-E187 IonicContact CZ-OE2 2.69Å; R183-E187 IonicContact NH1-OE1 2.8Å; R183-E187 PolarHBondContact NH1-OE1 2.94Å; R183-E187 IonicContact NH1-OE2 2.66Å; R183-E187 PolarHBondContact NH1-OE2 3.45Å; R183-E187 IonicContact NH2-OE1 2.68Å; R183-E187 PolarHBondContact NH2-OE1 3.12Å; R183-E187 IonicContact NH2-OE2 2.89Å; R183-E187 PolarHBondContact O-N 2.79Å; I184-E187 WeakPolarHBondContact O-CA 3.39Å; I184-E187 WeakPolarHBondContact O-CB 3.41Å; I184-E187 PolarHBondContact O-N 3.47Å; E187-I190 PolarHBondContact O-N 3.07Å; E187-K191 WeakPolarHBondContact O-CB 3.34Å; E187-K191 PolarHBondContact O-N 3.41Å; E187-F209 HydrophobicContact CG-CE2 4.21Å; E187-F209 HydrophobicContact CG-CZ 3.55Å
188E89.9Confident85.1Confident114 Ų11458.4 Ų58.453%0.53329%0.29SS..Hα-helixtrans-67.4-40.1175.8-64.6-170.4102.900111.2Y155 I184 K191 G192Y155-E188 HydrophobicContact CD1-CB 4.37Å; I184-E188 PolarHBondContact O-N 3.47Å; E188-K191 PolarHBondContact O-N 3.38Å; E188-G192 PolarHBondContact O-N 3.21Å
189A89.9Confident83.8Confident0 Ų064.4 Ų64.40%033%0.333CS..Hα-helixtrans-61.2-42.817100000112.8L134 F152 Y155 F180 E185 L193L134-A189 HydrophobicContact CD1-CB 3.9Å; F152-A189 HydrophobicContact CD1-CB 4.15Å; F152-A189 HydrophobicContact CE1-CB 4.47Å; Y155-A189 HydrophobicContact CD2-CB 4.18Å; Y155-A189 HydrophobicContact CG-CB 3.92Å; F180-A189 HydrophobicContact CE2-CB 3.87Å; F180-A189 HydrophobicContact CZ-CB 3.79Å; E185-A189 WeakPolarHBondContact O-CB 3.33Å; E185-A189 PolarHBondContact O-N 2.85Å; A189-L193 WeakPolarHBondContact O-CB 3.45Å; A189-L193 PolarHBondContact O-N 3.46Å
190I89.9Confident82.6Confident34 Ų3465.3 Ų65.317%0.17436%0.356CS..Hα-helixtrans-58.3-51.9171.5-72.4161.7000109.9L134 A186 E187 G192 N194 V207 F209L134-I190 HydrophobicContact CD1-CG1 4.27Å; L134-I190 HydrophobicContact CD2-CD1 3.52Å; L134-I190 HydrophobicContact CD2-CG1 3.64Å; A186-I190 VanDerWaalsContact O-CG1 3.28Å; A186-I190 WeakPolarHBondContact O-CG1 3.46Å; A186-I190 PolarHBondContact O-N 3.27Å; E187-I190 PolarHBondContact O-N 3.07Å; I190-G192 VanDerWaalsContact C-N 3.31Å; I190-G192 PolarHBondContact O-N 3.03Å; I190-N194 HydrophobicContact CG2-CB 4.41Å; I190-N194 WeakPolarHBondContact O-CB 3.41Å; I190-N194 PolarHBondContact O-N 3.34Å; I190-V207 HydrophobicContact CG1-CG1 3.91Å; I190-F209 HydrophobicContact CD1-CD1 4.05Å; I190-F209 HydrophobicContact CD1-CD2 3.73Å; I190-F209 HydrophobicContact CD1-CE1 3.89Å; I190-F209 HydrophobicContact CD1-CE2 3.58Å; I190-F209 HydrophobicContact CD1-CG 3.98Å; I190-F209 HydrophobicContact CD1-CZ 3.68Å
191K88.1Confident81.6Confident188 Ų18865.8 Ų65.882%0.81736%0.36SS*.Hα-helixtrans-65-32.7-174.1-170.9-179.4177.5-172.70113E187 E188E187-K191 WeakPolarHBondContact O-CB 3.34Å; E187-K191 PolarHBondContact O-N 3.41Å; E188-K191 PolarHBondContact O-N 3.38Å
192G85.1Confident81Confident32 Ų3270.5 Ų70.533%0.3339%0.391SS..Hα-helixtrans-87.5-33.2-179.400000115.3E188 I190E188-G192 PolarHBondContact O-N 3.21Å; I190-G192 VanDerWaalsContact C-N 3.31Å; I190-G192 PolarHBondContact O-N 3.03Å
193L86.2Confident80.5Confident0 Ų071.1 Ų71.10%040%0.395CS..Hα-helixtrans-108.1-21.5-172.8-64.9175.5000114.7L151 F152 Y155 A189 G195 Q196 I205 V207L151-L193 HydrophobicContact CD1-CD2 4.09Å; L151-L193 HydrophobicContact CG-CD1 4.27Å; L151-L193 HydrophobicContact CG-CD2 4.21Å; F152-L193 HydrophobicContact CD1-CD1 3.58Å; F152-L193 HydrophobicContact CD2-CD1 3.74Å; F152-L193 HydrophobicContact CE1-CD1 3.5Å; F152-L193 VanDerWaalsContact CE1-CD1 3.5Å; F152-L193 HydrophobicContact CE2-CD1 3.65Å; F152-L193 HydrophobicContact CG-CD1 3.72Å; F152-L193 HydrophobicContact CZ-CB 4.43Å; F152-L193 HydrophobicContact CZ-CD1 3.53Å; Y155-L193 HydrophobicContact CD2-CD1 3.93Å; Y155-L193 HydrophobicContact CD2-CG 4.26Å; Y155-L193 HydrophobicContact CE2-CD1 3.53Å; Y155-L193 HydrophobicContact CE2-CD2 3.83Å; Y155-L193 HydrophobicContact CE2-CG 3.45Å; Y155-L193 VanDerWaalsContact CE2-CG 3.45Å; A189-L193 WeakPolarHBondContact O-CB 3.45Å; A189-L193 PolarHBondContact O-N 3.46Å; L193-G195 PolarHBondContact O-N 2.87Å; L193-G195 VanDerWaalsContact O-N 3.16Å; L193-Q196 VanDerWaalsContact O-CB 3.31Å; L193-Q196 WeakPolarHBondContact O-CB 3.44Å; L193-Q196 PolarHBondContact O-N 3.19Å; L193-I205 HydrophobicContact CB-CD1 4.17Å; L193-I205 WeakPolarHBondContact O-CG1 3.41Å; L193-V207 HydrophobicContact CB-CG2 3.91Å
194N87.1Confident80.5Confident76 Ų7669.7 Ų69.741%0.40640%0.399SS..THydrogen-bonded Turntrans-66.8115.6-179.8-179.770.4000111.6I190 T206 V207I190-N194 HydrophobicContact CG2-CB 4.41Å; I190-N194 WeakPolarHBondContact O-CB 3.41Å; I190-N194 PolarHBondContact O-N 3.34Å; N194-T206 WeakPolarHBondContact OD1-CA 3.45Å; N194-V207 HydrophobicContact CB-CB 4.02Å; N194-V207 PolarHBondContact OD1-N 3.31Å; N194-V207 PolarHBondContact OD1-O 2.67Å
195G81.6Confident80.7Confident51 Ų5164.4 Ų64.453%0.52637%0.372SS..THydrogen-bonded Turntrans94.4-5.6-17500000114.1L193 P204 I205L193-G195 PolarHBondContact O-N 2.87Å; L193-G195 VanDerWaalsContact O-N 3.16Å; G195-P204 WeakPolarHBondContact O-CB 3.43Å; G195-I205 PolarHBondContact N-O 2.88Å
196Q81.1Confident80.6Confident82 Ų8265.4 Ų65.438%0.38338%0.379SS..  trans-72.8154.6175.9-156.4-176.179.100110.7L193 P198 P204 I205L193-Q196 VanDerWaalsContact O-CB 3.31Å; L193-Q196 WeakPolarHBondContact O-CB 3.44Å; L193-Q196 PolarHBondContact O-N 3.19Å; Q196-P198 WeakPolarHBondContact O-CD 2.96Å; Q196-P204 CarbonylContact O-C 3.5Å; Q196-P204 WeakPolarHBondContact O-CA 3.21Å; Q196-I205 WeakPolarHBondContact O-CG1 3.41Å; Q196-I205 PolarHBondContact O-N 2.86Å
197K78.4Confident80.8Confident130 Ų13065.4 Ų65.457%0.56538%0.379SS*.  trans-114.695.3178.6-167.5169.4-169166.30110.2A201 T202K197-A201 WeakPolarHBondContact CE-O 3.43Å; K197-A201 HydrophobicContact CG-CB 4.48Å; K197-T202 WeakPolarHBondContact CE-O 3.43Å; K197-T202 PolarHBondContact NZ-O 3.2Å
198P68.9Low80.8Confident16 Ų1667.7 Ų67.710%0.10439%0.388CS..  trans-68.9153.6-179.427.5-32.4000111.1L151 Q196 G200 A201 I205L151-P198 HydrophobicContact CD2-CB 4.23Å; Q196-P198 WeakPolarHBondContact O-CD 2.96Å; P198-G200 PolarHBondContact O-N 3.46Å; P198-A201 HydrophobicContact CG-CB 3.96Å; P198-A201 WeakPolarHBondContact O-CB 3.43Å; P198-A201 PolarHBondContact O-N 3.49Å; P198-I205 HydrophobicContact CG-CD1 4.39Å; P198-I205 HydrophobicContact CG-CG1 4.44Å; P198-I205 HydrophobicContact CG-CG2 3.67Å
199S63Low80.8Confident129 Ų12966.1 Ų66.190%0.90238%0.38SS*.THydrogen-bonded Turntrans-52.7119.1-177.1-54.70000111.9
200G62.4Low80.4Confident66 Ų6666.9 Ų66.968%0.6839%0.386SS*.THydrogen-bonded Turntrans91.5-1.5-17800000115.9P198P198-G200 PolarHBondContact O-N 3.46Å
201A66.6Low79.4Confident10 Ų1070.2 Ų70.28%0.08340%0.404CS..  trans-82.1133.8172.600000111.8P140 K197 P198 E203P140-A201 HydrophobicContact CG-CB 3.87Å; K197-A201 WeakPolarHBondContact CE-O 3.43Å; K197-A201 HydrophobicContact CG-CB 4.48Å; P198-A201 HydrophobicContact CG-CB 3.96Å; P198-A201 WeakPolarHBondContact O-CB 3.43Å; P198-A201 PolarHBondContact O-N 3.49Å; A201-E203 VanDerWaalsContact CB-O 3.3Å; A201-E203 WeakPolarHBondContact CB-O 3.5Å
202T66.1Low77.9Confident131 Ų13164 Ų6480%0.80438%0.38SS*.SBendtrans-74.5-34.3171.8-41.40000111.4K197K197-T202 WeakPolarHBondContact CE-O 3.43Å; K197-T202 PolarHBondContact NZ-O 3.2Å
203E72.4Confident76.3Confident127 Ų12767.6 Ų67.659%0.59340%0.397SS*.SBendtrans-111.2158.7-177.9-64.8-179.1165.200110.8A201A201-E203 VanDerWaalsContact CB-O 3.3Å; A201-E203 WeakPolarHBondContact CB-O 3.5Å
204P83.6Confident74.4Confident68 Ų6872.6 Ų72.644%0.44243%0.432SS..PPolyproline II helixtrans-72.2141.4169.330.8-33.9000111G195 Q196 T206G195-P204 WeakPolarHBondContact O-CB 3.43Å; Q196-P204 CarbonylContact O-C 3.5Å; Q196-P204 WeakPolarHBondContact O-CA 3.21Å; P204-T206 PolarHBondContact O-N 3.49Å
205I88.4Confident72.7Confident0 Ų073.9 Ų73.90%044%0.436CS..PPolyproline II helixtrans-71.6132175.459.1169.4000110.6V136 S137 L139 L151 F152 L193 G195 Q196 P198 V207V136-I205 HydrophobicContact CG1-CB 4.39Å; S137-I205 CarbonylContact O-C 3.52Å; S137-I205 VanDerWaalsContact O-CA 3.32Å; S137-I205 WeakPolarHBondContact O-CA 3.37Å; L139-I205 HydrophobicContact CD2-CG2 3.88Å; L151-I205 HydrophobicContact CD2-CD1 4.17Å; F152-I205 HydrophobicContact CE2-CD1 4.4Å; F152-I205 HydrophobicContact CZ-CD1 4.44Å; L193-I205 HydrophobicContact CB-CD1 4.17Å; L193-I205 WeakPolarHBondContact O-CG1 3.41Å; G195-I205 PolarHBondContact N-O 2.88Å; Q196-I205 WeakPolarHBondContact O-CG1 3.41Å; Q196-I205 PolarHBondContact O-N 2.86Å; P198-I205 HydrophobicContact CG-CD1 4.39Å; P198-I205 HydrophobicContact CG-CG1 4.44Å; P198-I205 HydrophobicContact CG-CG2 3.67Å; I205-V207 HydrophobicContact CD1-CG2 4.17Å; I205-V207 HydrophobicContact CG1-CG2 4.4Å
206T88.5Confident70.8Confident44 Ų4478.4 Ų78.427%0.2744%0.441SS..EExtended strand (participates in β ladder)trans-97.6124.1171.2-63.90000108.5V136 S137 N194 P204 K208V136-T206 WeakPolarHBondContact CA-O 3.44Å; S137-T206 PolarHBondContact N-O 2.86Å; S137-T206 PolarHBondContact O-N 2.83Å; N194-T206 WeakPolarHBondContact OD1-CA 3.45Å; P204-T206 PolarHBondContact O-N 3.49Å; T206-K208 HydrophobicContact CG2-CD 3.84Å; T206-K208 VanDerWaalsContact CG2-CE 3.48Å; T206-K208 HydrophobicContact CG2-CG 4.03Å
207V90.9Very high69.1Low0 Ų079 Ų790%045%0.454CS..EExtended strand (participates in β ladder)trans-120.1118.9-179.2-172.90000108.6L134 V136 F152 I190 L193 N194 I205L134-V207 HydrophobicContact CB-CG1 4.46Å; L134-V207 HydrophobicContact CD1-CG1 3.75Å; V136-V207 HydrophobicContact CG1-CG2 4.32Å; V136-V207 HydrophobicContact CG2-CG1 4.48Å; F152-V207 HydrophobicContact CE1-CG1 3.78Å; F152-V207 HydrophobicContact CE1-CG2 4.15Å; F152-V207 HydrophobicContact CZ-CG1 4.17Å; F152-V207 HydrophobicContact CZ-CG2 3.73Å; I190-V207 HydrophobicContact CG1-CG1 3.91Å; L193-V207 HydrophobicContact CB-CG2 3.91Å; N194-V207 HydrophobicContact CB-CB 4.02Å; N194-V207 PolarHBondContact OD1-N 3.31Å; N194-V207 PolarHBondContact OD1-O 2.67Å; I205-V207 HydrophobicContact CD1-CG2 4.17Å; I205-V207 HydrophobicContact CG1-CG2 4.4Å
208K88.9Confident67.5Low123 Ų12377.9 Ų77.954%0.53546%0.462SS..EExtended strand (participates in β ladder)trans-142.8162.8-176.3-68.1177.6178.8167.70110.1L134 Y135 T206 A210L134-K208 CarbonylContact C-O 3.53Å; L134-K208 WeakPolarHBondContact CA-O 3.34Å; Y135-K208 PolarHBondContact N-O 3.17Å; Y135-K208 PolarHBondContact O-N 3.5Å; T206-K208 HydrophobicContact CG2-CD 3.84Å; T206-K208 VanDerWaalsContact CG2-CE 3.48Å; T206-K208 HydrophobicContact CG2-CG 4.03Å; K208-A210 PolarHBondContact O-N 3.38Å
209F88.8Confident66.1Low82 Ų8286.3 Ų86.336%0.3650%0.501SS..EExtended strand (participates in β ladder)trans-61.5131.3169.9-71.6-66000111.3D131 L134 R183 A186 E187 I190 N211D131-F209 WeakPolarHBondContact O-CD1 3.45Å; D131-F209 WeakPolarHBondContact O-CE1 3.32Å; L134-F209 HydrophobicContact CD2-CD1 3.83Å; L134-F209 HydrophobicContact CD2-CE1 4.08Å; R183-F209 HydrophobicContact CG-CE1 4.44Å; R183-F209 HydrophobicContact CG-CZ 4.48Å; A186-F209 HydrophobicContact CB-CE1 4.19Å; E187-F209 HydrophobicContact CG-CE2 4.21Å; E187-F209 HydrophobicContact CG-CZ 3.55Å; I190-F209 HydrophobicContact CD1-CD1 4.05Å; I190-F209 HydrophobicContact CD1-CD2 3.73Å; I190-F209 HydrophobicContact CD1-CE1 3.89Å; I190-F209 HydrophobicContact CD1-CE2 3.58Å; I190-F209 HydrophobicContact CD1-CG 3.98Å; I190-F209 HydrophobicContact CD1-CZ 3.68Å; F209-N211 PolarHBondContact O-N 3.09Å
210A81.4Confident65.2Low15 Ų1584.9 Ų84.912%0.12450%0.497CS..  trans-79.1114.117700000110.5N133 F177 K208 N212N133-A210 HydrophobicContact CB-CB 3.94Å; N133-A210 PolarHBondContact O-N 2.85Å; F177-A210 HydrophobicContact CD1-CB 3.76Å; F177-A210 HydrophobicContact CE1-CB 3.84Å; K208-A210 PolarHBondContact O-N 3.38Å; A210-N212 PolarHBondContact O-N 3.46Å
211N69.6Low64.5Low105 Ų10589.8 Ų89.856%0.56151%0.506SS*.  trans-65.3106.2168.8-174.3-10.7000109.6F209F209-N211 PolarHBondContact O-N 3.09Å
212N57.6Low63.5Low58 Ų5896.2 Ų96.231%0.3154%0.538SS..  trans-65.1123.2177.1-175.1-18.6000109.4A210 S214 Q215A210-N212 PolarHBondContact O-N 3.46Å; N212-S214 PolarHBondContact O-N 3.14Å; N212-S214 VanDerWaalsContact OD1-CB 3.3Å; N212-S214 WeakPolarHBondContact OD1-CB 3.29Å; N212-S214 PolarHBondContact OD1-N 2.98Å; N212-S214 PolarHBondContact OD1-OG 2.75Å; N212-Q215 HydrophobicContact CB-CB 4.5Å; N212-Q215 HydrophobicContact CB-CG 4.15Å; N212-Q215 WeakPolarHBondContact O-CB 3.38Å; N212-Q215 PolarHBondContact O-N 3.34Å
213P49.8Very low62.3Low107 Ų10795.5 Ų95.570%0.69554%0.539SS*.G310 helixtrans-56.3-27179.822.1-33.1000113Q215 K216P213-Q215 PolarHBondContact O-N 3.2Å; P213-K216 PolarHBondContact O-N 3.27Å
214S48Very low60.8Low104 Ų10498.6 Ų98.673%0.72755%0.553SS**G310 helixtrans-68.1-5.4174.2-53.40000115.3N212N212-S214 PolarHBondContact O-N 3.14Å; N212-S214 VanDerWaalsContact OD1-CB 3.3Å; N212-S214 WeakPolarHBondContact OD1-CB 3.29Å; N212-S214 PolarHBondContact OD1-N 2.98Å; N212-S214 PolarHBondContact OD1-OG 2.75Å
215Q50.1Low58.4Low104 Ų104101.5 Ų101.549%0.48657%0.565SS.*G310 helixtrans-112.12.8-179.4-69.4-82.35800113.4N212 P213 S217N212-Q215 HydrophobicContact CB-CB 4.5Å; N212-Q215 HydrophobicContact CB-CG 4.15Å; N212-Q215 WeakPolarHBondContact O-CB 3.38Å; N212-Q215 PolarHBondContact O-N 3.34Å; P213-Q215 PolarHBondContact O-N 3.2Å; Q215-S217 VanDerWaalsContact C-N 3.33Å; Q215-S217 PolarHBondContact O-N 2.95Å
216K42.7Very low55.9Low146 Ų146111.6 Ų111.664%0.63560%0.604SS**THydrogen-bonded Turntrans-76.577.5-177.2-75.6-166.3175.7-173.90113.2P213P213-K216 PolarHBondContact O-N 3.27Å
217S45.2Very low53.3Low94 Ų94118.8 Ų118.866%0.65764%0.635SS**THydrogen-bonded Turntrans-130.8-23.6166.957.90000115.3Q215Q215-S217 VanDerWaalsContact C-N 3.33Å; Q215-S217 PolarHBondContact O-N 2.95Å
218S45.1Very low50.5Low106 Ų106124.1 Ų124.174%0.74167%0.672SS**SBendtrans-138.6-1-152.1-55.70000118.8
219Q39.4Very low48.3Very low194 Ų194124.3 Ų124.391%0.90769%0.686SS**SBendtrans-142.230.7-167.6-138.718045.700117.2
220A44.3Very low45.8Very low99 Ų99127.7 Ų127.782%0.81871%0.708SS**SBendtrans-103.9-0.6179.300000115.3
221L47.9Very low43.5Very low168 Ų168138.8 Ų138.888%0.8875%0.746SS**SBendtrans-107.1-10.1-165.9-78.7167.7000116.3
222L45.3Very low41.8Very low145 Ų145144.5 Ų144.576%0.75976%0.76SS**SBendtrans-95.4-8-166-153.165.3000115.1
223S40.3Very low40.8Very low117 Ų117151.9 Ų151.982%0.81879%0.785SS**THydrogen-bonded Turntrans-94.65.8-167.5-53.30000116.2
224Q40Very low40.7Very low191 Ų191152.5 Ų152.589%0.89379%0.789SS**THydrogen-bonded Turntrans-111.38.2-179-73.4-163.1-2400115.1
225L33.8Very low40Very low130 Ų130151 Ų15168%0.68179%0.789SS**SBendtrans-93.91-174.9-84.3164.4000116
226Y36.3Very low39.8Very low211 Ų211151.6 Ų151.683%0.82780%0.802SS**  trans-131.674.5-177.8-71.5-75.5000113.4
227Q33.5Very low39.5Very low196 Ų196152 Ų15292%0.91681%0.811SS**  trans-159.780.5158.5-118.6144.5101.700112
228S33.1Very low39Very low112 Ų112156.2 Ų156.278%0.78382%0.82SS**  trans-84.1151.7165.9-49.70000110.1
229P42.2Very low38.4Very low127 Ų127158.2 Ų158.283%0.82582%0.817SS**  -135.8155.4109.636.2-26.5000115.1
230N35.5Very low37.9Very low153 Ų153158 Ų15882%0.81882%0.816SS**  trans-58.6147.7-174.7-62.8-54.3000116
231R32.8Very low37.3Very low248 Ų248157.5 Ų157.594%0.93681%0.812SS**  -160.395.4129-111.2173.4-167-153.33.6115.7
232R34.4Very low36.6Very low224 Ų224157.4 Ų157.485%0.84581%0.807SS**  trans29.8127.6141.9-73-170.2166.1169.6-4.4123.8
233Y36.8Very low35.9Very low213 Ų213158.8 Ų158.884%0.83580%0.802SS**  trans87.2155130.3-84-114.2000120.4
234P48.7Very low35.3Very low121 Ų121161.2 Ų161.279%0.78680%0.799SS**  trans-135.2-174.8-134.946-30.8000117
235G31.7Very low34.9Very low71 Ų71162.3 Ų162.373%0.73280%0.795SS**  trans-157.9160.2165.600000113.3
236P47.3Very low34.6Very low117 Ų117162.9 Ų162.976%0.7680%0.798SS**  trans-130162.1-153.336.7-18.4000118.7
237L36.1Very low34.3Very low155 Ų155159.2 Ų159.281%0.81279%0.792SS**  trans39123.5150.1-8374000121.4
238H33.4Very low34.1Very low182 Ų182156.1 Ų156.184%0.84378%0.782SS**  -152.4176.1112-14765.6000113.1
239H33.8Very low33.8Very low148 Ų148158 Ų15869%0.68578%0.782SS**  trans-115.2171.2-167.3-99.866.3000115.2
240Q28.3Very low33.2Very low189 Ų189160.5 Ų160.588%0.88379%0.788SS**  trans92.7164.2147.1-99.4172.1-1.800120.8
241A31.6Very low32.9Very low90 Ų90159.4 Ų159.474%0.74478%0.782SS**  trans-153.7-171.5-153.100000111.9
242Q34.4Very low32.7Very low165 Ų165155 Ų15577%0.77177%0.774SS**  trans89.8146.8-175.7-55.2-150.446.100114.3
243R29.2Very low32.4Very low175 Ų175148.1 Ų148.166%0.6677%0.765SS**  cis-165.4166.8-13.7-118.8-165.5-169.6-117.43.4111.3
244F28.8Very low32.1Very low168 Ų168149 Ų14974%0.73777%0.768SS**  trans63.6177.8161-62.4-61000117.7
245R30.7Very low31.1Very low214 Ų214146.5 Ų146.581%0.80877%0.765SS**  -174.4156.3-72.1-174.9178.1-173.4-173.93.9109
246L27Very low30.8Very low142 Ų142149.1 Ų149.174%0.74377%0.766SS**  trans78.3147.8160.4-13259.8000114.3
247D30Very low29.9Very low134 Ų134152.8 Ų152.872%0.71777%0.77SS**  cis-167.7-162.7-36.5-145.1-64.5000108.9
248N29.5Very low29.3Very low130 Ų130157.3 Ų157.370%0.69578%0.776SS**  trans79.299.7164.5-76.8-7.8000120.7
249L28.6Very low29Very low152 Ų152158.1 Ų158.180%0.79678%0.778SS**  44.5122.6109.3-68.7166.8000120.9
250L29.2Very low28.8Very low180 Ų180156.1 Ų156.194%0.94278%0.78SS**  -157.3165.1118.9-111.5168.8000111.2
251N28.6Very low29.1Very low130 Ų130152.6 Ų152.670%0.69577%0.774SS**  trans-140.9149.9-164.8-177.133.7000113.7
252M29.3Very low28.8Very low156 Ų156155.7 Ų155.777%0.76878%0.776SS**  trans58.2120.2163.4-89.7-62.4112.900121.2
253A27.4Very low28.4Very low78 Ų78153.3 Ų153.365%0.64577%0.773SS**  trans-16595147.900000113.6
254Y31.3Very low28.4Very low232 Ų232152 Ų15291%0.9178%0.778SS**  trans61.2173.1160-44-72000119.2
255G25.9Very low28.1Very low69 Ų69151.5 Ų151.571%0.71178%0.783SS**  trans165.8-87.9164.800000119.6
256V25.7Very low27.8Very low126 Ų126144.2 Ų144.276%0.76477%0.774SS**  trans67108.4177.3-175.10000118.1
257K28.7Very low27.8Very low193 Ų193146.6 Ų146.684%0.83978%0.784SS**  trans62.6124.1153-61.3167.6-173.4173.40120.7
258R24.8Very low27.7Very low251 Ų251146.7 Ų146.795%0.94779%0.79SS**  -177.4177.1102.7-95.6-177.9-162-100.86.2111.9
259F26.7Very low27.8Very low199 Ų199145.6 Ų145.687%0.87379%0.792SS**  trans-86.7136.8-174.3-93.6-109.4000113.9
260S28.4Very low27.8Very low105 Ų105147 Ų14773%0.73480%0.799SS**  trans60.6169.9145.8-53.20000118.7
261P35.7Very low27.6Very low115 Ų115145.7 Ų145.775%0.74780%0.799SS**  cis-127.6-155.3-728-2.9000112.8
262I25.6Very low27.6Very low155 Ų155142.6 Ų142.680%0.79580%0.797SS**  trans99.2147.4157.9-61.5176.2000118.2
263T25.2Very low27.4Very low116 Ų116143.6 Ų143.671%0.71280%0.802SS**  trans-84.6160.9-156.153.40000117.1
264I28.4Very low27.3Very low148 Ų148147.2 Ų147.276%0.75981%0.81SS**  120.8128.5126-139.5168.4000117.7
265D23.6Very low27.5Very low156 Ų156142.6 Ų142.683%0.83480%0.8SS**  trans54.7157.4158-100.2-70.8000123.9
266G23.9Very low27.7Very low61 Ų61144.8 Ų144.863%0.62980%0.802SS**  trans105.639.3151.800000120.1
267M27.2Very low28Very low192 Ų192141 Ų14195%0.94679%0.788SS**  trans-15859.7150.1-116.4169-150.300116.4S269M267-S269 PolarHBondContact O-N 3.48Å; M267-S269 VanDerWaalsContact O-N 3.11Å
268T28.8Very low28.4Very low137 Ų137136.4 Ų136.484%0.8477%0.769SS**  trans-74.787.816449.70000111.5
269S30Very low29.1Very low106 Ų106130.5 Ų130.574%0.74176%0.762SS**  trans-175.586.9157.5-85.80000114M267M267-S269 PolarHBondContact O-N 3.48Å; M267-S269 VanDerWaalsContact O-N 3.11Å
270L28.8Very low30.1Very low181 Ų181123.2 Ų123.295%0.94874%0.743SS**  trans-161.761.9144.9-86-159000109.7
271V25.7Very low31.8Very low154 Ų154124.4 Ų124.493%0.93375%0.746SS**  trans-77.9141.5167.5-70.90000110.3
272G28.1Very low33.7Very low64 Ų64119.4 Ų119.466%0.6672%0.715SS**  trans110.352.5165.300000117.8
273M25.7Very low36.5Very low178 Ų178116.2 Ų116.288%0.87769%0.693SS**  trans-117.879.2155.9-78.6-66.5144.900110.4I275M273-I275 PolarHBondContact O-N 2.76Å
274N25.2Very low39.6Very low153 Ų153111.5 Ų111.582%0.81866%0.664SS**  trans-77.998.1178-178.349.7000110.3P276N274-P276 WeakPolarHBondContact O-CD 3.31Å
275I35.5Very low42.6Very low136 Ų136104.5 Ų104.570%0.69763%0.628SS**  trans-82114.4-178.3-56.9175.4000110M273M273-I275 PolarHBondContact O-N 2.76Å
276P29.6Very low46Very low115 Ų11599.9 Ų99.975%0.74760%0.601SS**  trans-83134.4-178.832.7-33.1000112N274N274-P276 WeakPolarHBondContact O-CD 3.31Å
277G32.2Very low49.3Very low46 Ų4697 Ų9747%0.47457%0.571SS.*  trans131.29.615700000119.6T279G277-T279 PolarHBondContact O-N 2.97Å
278H38.3Very low52.4Low96 Ų9693 Ų9344%0.44455%0.546SS..  trans-74.7110.6173.9-90.316.2000112.2G282 W283 C284H278-G282 PolarHBondContact CD2-O 3.04Å; H278-G282 VanDerWaalsContact CD2-O 3.32Å; H278-W283 AromaticContact CD2-CE3 3.9Å; H278-W283 AromaticContact NE2-CE3 3.66Å; H278-C284 PolarHBondContact NE2-N 3.2Å
279T38.9Very low55.3Low128 Ų12888.9 Ų88.979%0.78552%0.519SS*.  trans-9716.3174.4480000113.4G277G277-T279 PolarHBondContact O-N 2.97Å
280G48.4Very low58.2Low46 Ų4683.9 Ų83.947%0.47448%0.484SS..SBendtrans-126.9151.5170.400000110.7G282G280-G282 PolarHBondContact O-N 3.37Å
281T62.9Low60.9Low130 Ų13077 Ų7780%0.79845%0.451SS*.SBendtrans-80.659.2178.756.70000110.9N310T281-N310 PolarHBondContact O-ND2 3.14Å
282G74.9Confident63.7Low9 Ų971.5 Ų71.59%0.09342%0.418CS..SBendtrans167.3162.6-176.400000112.8H278 G280 M331H278-G282 PolarHBondContact CD2-O 3.04Å; H278-G282 VanDerWaalsContact CD2-O 3.32Å; G280-G282 PolarHBondContact O-N 3.37Å; G282-M331 CarbonylContact C-O 3.6Å; G282-M331 VanDerWaalsContact C-O 3.31Å; G282-M331 WeakPolarHBondContact CA-O 3.26Å
283W85.5Confident66.3Low88 Ų8873.2 Ų73.233%0.33341%0.412SS..EExtended strand (participates in β ladder)trans-88.9112.8-172.3-62.288.2000110.8H278 I285 T330 M331 Y334 A337 F358H278-W283 AromaticContact CD2-CE3 3.9Å; H278-W283 AromaticContact NE2-CE3 3.66Å; W283-I285 PolarHBondContact O-N 2.8Å; W283-T330 WeakPolarHBondContact O-CA 3.38Å; W283-M331 PolarHBondContact N-O 2.75Å; W283-M331 PolarHBondContact O-N 2.96Å; W283-Y334 AromaticContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CG 4.45Å; W283-Y334 AromaticContact CE2-CD2 3.92Å; W283-Y334 AromaticContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CE2 4.27Å; W283-Y334 HydrophobicContact CG-CD2 4.46Å; W283-Y334 AromaticContact CH2-CD2 3.87Å; W283-Y334 HydrophobicContact CH2-CD2 3.87Å; W283-Y334 AromaticContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CG 4.29Å; W283-Y334 AromaticContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CE2 4.15Å; W283-A337 HydrophobicContact CB-CB 3.94Å; W283-F358 HydrophobicContact CB-CE1 4.26Å; W283-F358 HydrophobicContact CE3-CE1 4.47Å
284C89.5Confident69.1Low18 Ų1865.1 Ų65.112%0.12237%0.373CS..EExtended strand (participates in β ladder)trans-83117.9-178.2-164.10000111.6H278 V329 K359H278-C284 PolarHBondContact NE2-N 3.2Å; C284-V329 CarbonylContact C-O 3.54Å; C284-V329 WeakPolarHBondContact CA-O 3.35Å; C284-K359 HydrophobicContact CB-CB 4.14Å; C284-K359 HydrophobicContact CB-CD 4.14Å; C284-K359 VanDerWaalsContact O-CB 3.29Å; C284-K359 WeakPolarHBondContact O-CB 3.46Å; C284-K359 PolarHBondContact O-N 2.68Å; C284-K359 WeakPolarHBondContact SG-CD 3.35Å
285I92.8Very high72.1Confident0 Ų061.3 Ų61.30%035%0.353CS..EExtended strand (participates in β ladder)trans-99.7134.9175.5-51.4176.3000108W283 V287 F303 F328 V329 M331 A337 A340 I341 V356 S357W283-I285 PolarHBondContact O-N 2.8Å; I285-V287 HydrophobicContact CG2-CG2 4.42Å; I285-F303 HydrophobicContact CD1-CD1 3.98Å; I285-F303 HydrophobicContact CD1-CE1 3.63Å; I285-F303 HydrophobicContact CG2-CE1 4.07Å; I285-F303 HydrophobicContact CG2-CZ 4.29Å; I285-F328 WeakPolarHBondContact O-CA 3.28Å; I285-V329 HydrophobicContact CB-CB 4.41Å; I285-V329 PolarHBondContact N-O 3.1Å; I285-V329 PolarHBondContact O-N 2.83Å; I285-M331 HydrophobicContact CD1-CG 4.18Å; I285-M331 HydrophobicContact CD1-SD 3.62Å; I285-A337 HydrophobicContact CD1-CB 3.86Å; I285-A337 HydrophobicContact CG1-CB 4.26Å; I285-A340 HydrophobicContact CD1-CB 4.41Å; I285-I341 HydrophobicContact CD1-CD1 4.49Å; I285-I341 HydrophobicContact CD1-CG1 4.31Å; I285-I341 HydrophobicContact CG1-CD1 4.22Å; I285-I341 HydrophobicContact CG1-CG1 4.39Å; I285-I341 HydrophobicContact CG2-CD1 4.29Å; I285-I341 HydrophobicContact CG2-CG1 3.86Å; I285-V356 HydrophobicContact CG2-CG1 3.47Å; I285-V356 VanDerWaalsContact CG2-CG1 3.47Å; I285-S357 CarbonylContact C-O 3.56Å; I285-S357 WeakPolarHBondContact CA-O 3.45Å; I285-S357 WeakPolarHBondContact CG2-O 3.38Å
286F93.5Very high74.7Confident60 Ų6057.4 Ų57.426%0.26333%0.332SS..EExtended strand (participates in β ladder)trans-95132.4169.9176.5-121.9000109.3Y288 F326 F328 V356 S357 K359F286-Y288 HydrophobicContact CE1-CD2 4.22Å; F286-Y288 HydrophobicContact CE1-CG 4.28Å; F286-Y288 AromaticContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CG 4.22Å; F286-F326 HydrophobicContact CE2-CB 3.93Å; F286-F326 AromaticContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CG 4.11Å; F286-F326 HydrophobicContact CZ-CB 4.27Å; F286-F328 HydrophobicContact CB-CD1 4.48Å; F286-F328 HydrophobicContact CB-CE1 4.44Å; F286-F328 HydrophobicContact CD2-CD1 4.03Å; F286-F328 AromaticContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CZ 4.01Å; F286-F328 HydrophobicContact CE2-CE1 4.22Å; F286-F328 HydrophobicContact CE2-CZ 4.26Å; F286-F328 HydrophobicContact CG-CE1 4.39Å; F286-V356 WeakPolarHBondContact O-CA 3.41Å; F286-S357 PolarHBondContact N-O 3.02Å; F286-S357 PolarHBondContact O-N 3.2Å; F286-S357 VanDerWaalsContact O-N 3.09Å; F286-K359 HydrophobicContact CB-CB 4.39Å
287V93.3Very high77.6Confident0 Ų056.1 Ų56.10%033%0.326CS..EExtended strand (participates in β ladder)trans-121.7122.6177.4-175.10000108.5I285 L290 L299 F303 F326 G327 V329 Q355 V356I285-V287 HydrophobicContact CG2-CG2 4.42Å; V287-L290 HydrophobicContact CG1-CD1 4.45Å; V287-L290 HydrophobicContact CG1-CD2 3.9Å; V287-L290 HydrophobicContact CG1-CG 4.13Å; V287-L299 HydrophobicContact CB-CD2 4.27Å; V287-L299 HydrophobicContact CG1-CD2 3.94Å; V287-L299 HydrophobicContact CG2-CD2 4.17Å; V287-F303 HydrophobicContact CG2-CE2 3.83Å; V287-F303 HydrophobicContact CG2-CZ 3.64Å; V287-F326 CarbonylContact O-C 3.57Å; V287-F326 WeakPolarHBondContact O-CA 3.48Å; V287-F326 WeakPolarHBondContact O-CB 3.37Å; V287-G327 PolarHBondContact N-O 2.85Å; V287-G327 PolarHBondContact O-N 2.95Å; V287-V329 HydrophobicContact CG2-CG2 4.16Å; V287-Q355 WeakPolarHBondContact CA-O 3.32Å; V287-V356 HydrophobicContact CG1-CG2 4.29Å; V287-V356 HydrophobicContact CG2-CG1 4.41Å
288Y92.4Very high80.3Confident109 Ų10956.2 Ų56.243%0.42732%0.317SS..EExtended strand (participates in β ladder)trans-125.4161.3-175.5-172.7-95.3000111.3F286 G325 F326 Q355F286-Y288 HydrophobicContact CE1-CD2 4.22Å; F286-Y288 HydrophobicContact CE1-CG 4.28Å; F286-Y288 AromaticContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CD2 3.73Å; F286-Y288 HydrophobicContact CZ-CG 4.22Å; Y288-G325 CarbonylContact C-O 3.49Å; Y288-F326 HydrophobicContact CD2-CB 3.74Å; Y288-F326 HydrophobicContact CD2-CG 4.48Å; Y288-F326 HydrophobicContact CE2-CB 4.45Å; Y288-Q355 PolarHBondContact N-O 2.96Å; Y288-Q355 PolarHBondContact O-N 3Å
289N90.8Very high82.9Confident50 Ų5051.7 Ų51.727%0.26730%0.296SS..SBendtrans63.233.3-172-159.329000114.9G325 R352 V353N289-G325 WeakPolarHBondContact CA-O 3.24Å; N289-G325 PolarHBondContact N-O 3Å; N289-R352 WeakPolarHBondContact O-CB 3.45Å; N289-R352 WeakPolarHBondContact O-CD 3.34Å; N289-V353 WeakPolarHBondContact CB-O 3.2Å; N289-V353 PolarHBondContact ND2-O 2.8Å
290L90.1Very high85.4Confident1 Ų151 Ų511%0.00528%0.279CS..  trans-63157.9168.3-67.5171.9000111.5V287 L299 V314 G325 L349 R352 L354V287-L290 HydrophobicContact CG1-CD1 4.45Å; V287-L290 HydrophobicContact CG1-CD2 3.9Å; V287-L290 HydrophobicContact CG1-CG 4.13Å; L290-L299 HydrophobicContact CD1-CD1 4.25Å; L290-L299 HydrophobicContact CD2-CD2 4.05Å; L290-V314 HydrophobicContact CD1-CG1 4.28Å; L290-G325 PolarHBondContact N-O 2.97Å; L290-L349 HydrophobicContact CD2-CD2 4.27Å; L290-R352 WeakPolarHBondContact O-CD 3.36Å; L290-R352 PolarHBondContact O-NH1 3.46Å; L290-L354 HydrophobicContact CD2-CD2 3.82Å
291S85.8Confident87.5Confident37 Ų3756 Ų5626%0.25929%0.29SS..  trans-68.3149.9170.2-164.30000110.2D293 S294 C323S291-D293 PolarHBondContact O-N 2.7Å; S291-S294 WeakPolarHBondContact CB-OG 3.46Å; S291-S294 PolarHBondContact N-OG 3.07Å; S291-S294 VanDerWaalsContact N-OG 3.14Å; S291-S294 WeakPolarHBondContact O-CB 3.39Å; S291-S294 PolarHBondContact O-N 2.78Å; S291-S294 VanDerWaalsContact O-N 3.08Å; S291-C323 WeakPolarHBondContact O-CB 3.48Å
292P83.4Confident88.8Confident37 Ų3750.9 Ų50.924%0.2426%0.258CS..THydrogen-bonded Turntrans-55.6-18.9168.123.3-36000113.9K322 C323P292-K322 HydrophobicContact CB-CB 4.28Å; P292-K322 HydrophobicContact CB-CD 4.38Å; P292-C323 PolarHBondContact O-N 3.48Å
293D83.3Confident89.7Confident100 Ų10050.4 Ų50.454%0.53525%0.253SS..THydrogen-bonded Turntrans-112.520-179.6-57-63.3000112.6S291 K322S291-D293 PolarHBondContact O-N 2.7Å; D293-K322 VanDerWaalsContact CG-NZ 3.3Å; D293-K322 IonicContact OD1-NZ 2.59Å; D293-K322 PolarHBondContact OD1-NZ 2.86Å; D293-K322 IonicContact OD2-NZ 3.22Å; D293-K322 PolarHBondContact OD2-NZ 2.89Å
294S85.4Confident89.9Confident8 Ų848.3 Ų48.36%0.05626%0.258CS..  trans-91.9106.2175.1-69.30000111.9S291 C323S291-S294 WeakPolarHBondContact CB-OG 3.46Å; S291-S294 PolarHBondContact N-OG 3.07Å; S291-S294 VanDerWaalsContact N-OG 3.14Å; S291-S294 WeakPolarHBondContact O-CB 3.39Å; S291-S294 PolarHBondContact O-N 2.78Å; S291-S294 VanDerWaalsContact O-N 3.08Å; S294-C323 PolarHBondContact O-SG 2.93Å
295D88.4Confident90Very high74 Ų7452.3 Ų52.340%0.39628%0.284SS..  trans-85.1167.1178.8-61-39.5000114S297 V298 R316D295-S297 PolarHBondContact O-N 3.32Å; D295-S297 VanDerWaalsContact O-N 3.11Å; D295-V298 WeakPolarHBondContact O-CB 3.42Å; D295-V298 PolarHBondContact O-N 3.41Å; D295-R316 IonicContact OD1-CZ 3.66Å; D295-R316 IonicContact OD1-NH1 3.79Å; D295-R316 PolarHBondContact OD1-NH1 3.2Å; D295-R316 IonicContact OD1-NH2 2.7Å; D295-R316 PolarHBondContact OD1-NH2 3.34Å
296E89.6Confident89.9Confident53 Ų5354.9 Ų54.925%0.24830%0.296CS..Hα-helixtrans-48.2-39.2177-76.870.9-165.200112.9V298 L299 W300 V312 V314 R316E296-V298 PolarHBondContact O-N 2.63Å; E296-L299 WeakPolarHBondContact O-CB 3.49Å; E296-L299 PolarHBondContact O-N 2.78Å; E296-W300 PolarHBondContact O-N 2.74Å; E296-V312 HydrophobicContact CB-CG1 3.98Å; E296-V312 HydrophobicContact CG-CG1 3.98Å; E296-V314 HydrophobicContact CG-CG2 4.06Å; E296-V314 WeakPolarHBondContact OE1-CA 3.3Å; E296-V314 VanDerWaalsContact OE1-CB 3.3Å; E296-V314 WeakPolarHBondContact OE1-CB 3.49Å; E296-V314 PolarHBondContact OE1-N 3.24Å; E296-R316 IonicContact OE2-CZ 3.66Å; E296-R316 IonicContact OE2-NE 2.77Å; E296-R316 IonicContact OE2-NH2 3.94Å; E296-R316 PolarHBondContact OE2-NH2 2.92Å
297S90.4Very high89.6Confident89 Ų8953 Ų5362%0.62229%0.292SS*.Hα-helixtrans-55.6-33.5179.4-50.20000113.3D295 W300 Q301D295-S297 PolarHBondContact O-N 3.32Å; D295-S297 VanDerWaalsContact O-N 3.11Å; S297-W300 PolarHBondContact O-N 2.92Å; S297-Q301 WeakPolarHBondContact O-CB 3.45Å; S297-Q301 PolarHBondContact O-N 3.02Å
298V89.9Confident89.3Confident48 Ų4855.6 Ų55.629%0.29131%0.314SS..Hα-helixtrans-69.3-38.4177.9-1740000110.6D295 E296 Q301 L302 L349D295-V298 WeakPolarHBondContact O-CB 3.42Å; D295-V298 PolarHBondContact O-N 3.41Å; E296-V298 PolarHBondContact O-N 2.63Å; V298-Q301 PolarHBondContact O-N 3.41Å; V298-L302 HydrophobicContact CG1-CD1 4.08Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 VanDerWaalsContact O-CG 3.29Å; V298-L302 WeakPolarHBondContact O-CG 3.43Å; V298-L302 PolarHBondContact O-N 3.49Å; V298-L349 HydrophobicContact CG1-CD1 3.86Å; V298-L349 HydrophobicContact CG1-CD2 3.98Å
299L91.5Very high89.2Confident1 Ų151.4 Ų51.41%0.00530%0.3CS..Hα-helixtrans-70.7-38.4175.6-67.5176.5000111.8V287 L290 E296 Q301 L302 F303 V312 V314 V329V287-L299 HydrophobicContact CB-CD2 4.27Å; V287-L299 HydrophobicContact CG1-CD2 3.94Å; V287-L299 HydrophobicContact CG2-CD2 4.17Å; L290-L299 HydrophobicContact CD1-CD1 4.25Å; L290-L299 HydrophobicContact CD2-CD2 4.05Å; E296-L299 WeakPolarHBondContact O-CB 3.49Å; E296-L299 PolarHBondContact O-N 2.78Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.93Å; L299-L302 PolarHBondContact O-N 2.83Å; L299-F303 HydrophobicContact CD2-CD2 4.39Å; L299-F303 HydrophobicContact CD2-CE2 3.99Å; L299-F303 WeakPolarHBondContact O-CB 3.41Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.01Å; L299-V312 HydrophobicContact CB-CG1 3.61Å; L299-V312 HydrophobicContact CD1-CG1 3.7Å; L299-V312 HydrophobicContact CG-CG1 4.28Å; L299-V314 HydrophobicContact CD1-CG2 3.79Å; L299-V329 HydrophobicContact CB-CG2 4.11Å; L299-V329 HydrophobicContact CD1-CG2 4.14Å; L299-V329 HydrophobicContact CD2-CG2 4.37Å; L299-V329 HydrophobicContact CG-CG2 4.46Å
300W92.4Very high89Confident114 Ų11452.8 Ų52.843%0.43231%0.307SS..Hα-helixtrans-57.8-45.6171-75.6105.5000111.5E296 S297 G304 V309 V312E296-W300 PolarHBondContact O-N 2.74Å; S297-W300 PolarHBondContact O-N 2.92Å; W300-G304 PolarHBondContact O-N 2.88Å; W300-V309 HydrophobicContact CD2-CG1 4.38Å; W300-V309 HydrophobicContact CE3-CB 3.82Å; W300-V309 HydrophobicContact CE3-CG1 3.76Å; W300-V309 HydrophobicContact CH2-CB 4.3Å; W300-V309 HydrophobicContact CH2-CG1 3.86Å; W300-V309 WeakPolarHBondContact CH2-O 3.05Å; W300-V309 HydrophobicContact CZ2-CG1 4.45Å; W300-V309 HydrophobicContact CZ3-CB 3.52Å; W300-V309 HydrophobicContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-O 3.25Å; W300-V309 WeakPolarHBondContact CZ3-O 3.46Å; W300-V312 HydrophobicContact CD2-CB 4.5Å; W300-V312 HydrophobicContact CD2-CG2 3.68Å; W300-V312 VanDerWaalsContact CE2-CG2 3.43Å; W300-V312 HydrophobicContact CE3-CG2 4.32Å; W300-V312 HydrophobicContact CG-CG2 3.94Å; W300-V312 HydrophobicContact CH2-CG2 4.49Å; W300-V312 HydrophobicContact CZ2-CB 4.23Å; W300-V312 HydrophobicContact CZ2-CG2 3.87Å
301Q91.1Very high88.8Confident150 Ų15056.8 Ų56.870%0.70133%0.329SS*.Hα-helixtrans-67.7-35.5179.6-169.96237.500113.3S297 V298 L299 P305S297-Q301 WeakPolarHBondContact O-CB 3.45Å; S297-Q301 PolarHBondContact O-N 3.02Å; V298-Q301 PolarHBondContact O-N 3.41Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 2.93Å; Q301-P305 WeakPolarHBondContact O-CD 3.23Å
302L91.3Very high89.1Confident22 Ų2255.7 Ų55.712%0.11532%0.32CS..Hα-helixtrans-75.8-38.6178.8-73.9171.1000113.1V298 L299 F306 L344 Y347 L354V298-L302 HydrophobicContact CG1-CD1 4.08Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 VanDerWaalsContact O-CG 3.29Å; V298-L302 WeakPolarHBondContact O-CG 3.43Å; V298-L302 PolarHBondContact O-N 3.49Å; L299-L302 PolarHBondContact O-N 2.83Å; L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 VanDerWaalsContact O-CE2 3.31Å; L302-F306 WeakPolarHBondContact O-CE2 3.29Å; L302-L344 HydrophobicContact CB-CD1 4.31Å; L302-L344 HydrophobicContact CB-CD2 4.41Å; L302-L344 HydrophobicContact CD2-CD2 4.24Å; L302-Y347 HydrophobicContact CD2-CD1 4.23Å; L302-Y347 HydrophobicContact CD2-CE1 3.7Å; L302-L354 HydrophobicContact CD1-CD1 3.91Å
303F93.1Very high89.3Confident0 Ų058.2 Ų58.20%033%0.328CS..Hα-helixtrans-92.9-25.5-174.6-75.9-98000113.9I285 V287 L299 P305 F306 V309 V329 M331 A340 L344 V356I285-F303 HydrophobicContact CD1-CD1 3.98Å; I285-F303 HydrophobicContact CD1-CE1 3.63Å; I285-F303 HydrophobicContact CG2-CE1 4.07Å; I285-F303 HydrophobicContact CG2-CZ 4.29Å; V287-F303 HydrophobicContact CG2-CE2 3.83Å; V287-F303 HydrophobicContact CG2-CZ 3.64Å; L299-F303 HydrophobicContact CD2-CD2 4.39Å; L299-F303 HydrophobicContact CD2-CE2 3.99Å; L299-F303 WeakPolarHBondContact O-CB 3.41Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.01Å; F303-P305 VanDerWaalsContact C-CD 3.46Å; F303-F306 PolarHBondContact O-N 3.25Å; F303-V309 HydrophobicContact CB-CG2 3.69Å; F303-V329 HydrophobicContact CB-CG1 4.12Å; F303-V329 HydrophobicContact CD1-CB 4.44Å; F303-V329 HydrophobicContact CD1-CG1 4.01Å; F303-V329 HydrophobicContact CD2-CG1 4.41Å; F303-V329 HydrophobicContact CD2-CG2 3.9Å; F303-V329 HydrophobicContact CE2-CG2 3.94Å; F303-V329 HydrophobicContact CG-CB 4.46Å; F303-V329 HydrophobicContact CG-CG1 3.91Å; F303-V329 HydrophobicContact CG-CG2 4.24Å; F303-V329 HydrophobicContact CZ-CG2 4.3Å; F303-M331 HydrophobicContact CD1-SD 3.92Å; F303-A340 HydrophobicContact CD1-CB 3.77Å; F303-A340 HydrophobicContact CE1-CB 3.91Å; F303-L344 HydrophobicContact CD1-CD1 3.87Å; F303-L344 HydrophobicContact CD2-CD1 3.8Å; F303-L344 HydrophobicContact CE1-CD1 3.68Å; F303-L344 HydrophobicContact CE2-CD1 3.62Å; F303-L344 HydrophobicContact CG-CD1 3.93Å; F303-L344 HydrophobicContact CZ-CD1 3.56Å; F303-V356 HydrophobicContact CE1-CG1 4.17Å; F303-V356 HydrophobicContact CZ-CG1 3.79Å
304G89.9Confident89.7Confident43 Ų4353.8 Ų53.844%0.44330%0.304SS..G310 helixtrans-53.2-38.5178.600000115.9W300 F306 G307W300-G304 PolarHBondContact O-N 2.88Å; G304-F306 PolarHBondContact O-N 3.22Å; G304-G307 PolarHBondContact O-N 2.86Å
305P92.3Very high89.8Confident102 Ų10255.3 Ų55.366%0.66231%0.311SS*.G310 helixtrans-64.3-16.8175.9-25.536000115.3Q301 F303Q301-P305 WeakPolarHBondContact O-CD 3.23Å; F303-P305 VanDerWaalsContact C-CD 3.46Å
306F90.3Very high89.8Confident55 Ų5555.5 Ų55.524%0.24131%0.307CS..G310 helixtrans-98.1-16.3-176.1-63.3-79.7000113.9L302 F303 G304 M331 E336 M339 A340 S343 L344L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 VanDerWaalsContact O-CE2 3.31Å; L302-F306 WeakPolarHBondContact O-CE2 3.29Å; F303-F306 PolarHBondContact O-N 3.25Å; G304-F306 PolarHBondContact O-N 3.22Å; F306-M331 HydrophobicContact CB-CE 4.03Å; F306-E336 VanDerWaalsContact O-CB 3.28Å; F306-E336 WeakPolarHBondContact O-CB 3.12Å; F306-E336 WeakPolarHBondContact O-CG 3.29Å; F306-M339 HydrophobicContact CD1-CB 4.46Å; F306-A340 HydrophobicContact CB-CB 3.72Å; F306-A340 HydrophobicContact CD1-CB 4.38Å; F306-A340 HydrophobicContact CD2-CB 4.07Å; F306-A340 HydrophobicContact CG-CB 3.79Å; F306-S343 VanDerWaalsContact CE1-CB 3.41Å; F306-S343 WeakPolarHBondContact CE1-OG 3.18Å; F306-S343 VanDerWaalsContact CZ-CB 3.43Å; F306-L344 HydrophobicContact CD2-CD1 4.14Å; F306-L344 HydrophobicContact CE2-CD1 3.86Å; F306-L344 HydrophobicContact CE2-CD2 4Å; F306-L344 HydrophobicContact CE2-CG 3.85Å; F306-L344 HydrophobicContact CZ-CD2 4.45Å; F306-L344 HydrophobicContact CZ-CG 4.31Å
307G87Confident89.4Confident19 Ų1954.7 Ų54.720%0.19630%0.304CS..SBendtrans160.1-179-175.500000114.7G304 V309 E336G304-G307 PolarHBondContact O-N 2.86Å; G307-V309 PolarHBondContact O-N 2.59Å; G307-E336 WeakPolarHBondContact CA-OE2 3.34Å
308A87.6Confident88.8Confident55 Ų5558.9 Ų58.946%0.45531%0.311SS..  trans-78.1108.5-176.500000111.2M331 T332 E336A308-M331 CarbonylContact O-C 3.5Å; A308-M331 WeakPolarHBondContact O-CA 3.35Å; A308-T332 HydrophobicContact CB-CG2 4.16Å; A308-T332 PolarHBondContact O-N 2.78Å; A308-T332 PolarHBondContact O-OG1 3.07Å; A308-E336 PolarHBondContact N-OE2 3.14Å; A308-E336 VanDerWaalsContact N-OE2 3.1Å
309V89.9Confident88.3Confident22 Ų2262.9 Ų62.913%0.13333%0.331CS..EExtended strand (participates in β ladder)trans-80120.1174.9-179.10000109.6W300 F303 G307 V312 V329 M331W300-V309 HydrophobicContact CD2-CG1 4.38Å; W300-V309 HydrophobicContact CE3-CB 3.82Å; W300-V309 HydrophobicContact CE3-CG1 3.76Å; W300-V309 HydrophobicContact CH2-CB 4.3Å; W300-V309 HydrophobicContact CH2-CG1 3.86Å; W300-V309 WeakPolarHBondContact CH2-O 3.05Å; W300-V309 HydrophobicContact CZ2-CG1 4.45Å; W300-V309 HydrophobicContact CZ3-CB 3.52Å; W300-V309 HydrophobicContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-CG1 3.5Å; W300-V309 VanDerWaalsContact CZ3-O 3.25Å; W300-V309 WeakPolarHBondContact CZ3-O 3.46Å; F303-V309 HydrophobicContact CB-CG2 3.69Å; G307-V309 PolarHBondContact O-N 2.59Å; V309-V312 HydrophobicContact CG1-CG2 3.61Å; V309-V329 HydrophobicContact CG1-CG1 3.77Å; V309-V329 HydrophobicContact CG2-CG1 4.27Å; V309-M331 HydrophobicContact CG2-CG 4.15Å
310N86.6Confident87.8Confident78 Ų7867.1 Ų67.142%0.41736%0.357SS..EExtended strand (participates in β ladder)trans-88.1-36.2179.5-177.510.1000111.5T281 T330 T332T281-N310 PolarHBondContact O-ND2 3.14Å; N310-T330 WeakPolarHBondContact CA-O 3.43Å; N310-T330 WeakPolarHBondContact CB-O 3.39Å; N310-T330 PolarHBondContact N-O 2.85Å; N310-T332 HydrophobicContact CB-CG2 4.4Å
311N86.6Confident87Confident85 Ų8567 Ų6746%0.45537%0.365SS..EExtended strand (participates in β ladder)trans-154.3149.2178.4-163.8-109.3000112.9V329 T330N311-V329 CarbonylContact O-C 3.52Å; N311-V329 WeakPolarHBondContact O-CA 3.21Å; N311-T330 PolarHBondContact N-O 3.31Å; N311-T330 PolarHBondContact O-N 3.44Å
312V90.4Very high86.5Confident14 Ų1464.4 Ų64.49%0.08535%0.351CS..EExtended strand (participates in β ladder)trans-133.4138.2171.6179.40000108.3E296 L299 W300 V309 F328 V329E296-V312 HydrophobicContact CB-CG1 3.98Å; E296-V312 HydrophobicContact CG-CG1 3.98Å; L299-V312 HydrophobicContact CB-CG1 3.61Å; L299-V312 HydrophobicContact CD1-CG1 3.7Å; L299-V312 HydrophobicContact CG-CG1 4.28Å; W300-V312 HydrophobicContact CD2-CB 4.5Å; W300-V312 HydrophobicContact CD2-CG2 3.68Å; W300-V312 VanDerWaalsContact CE2-CG2 3.43Å; W300-V312 HydrophobicContact CE3-CG2 4.32Å; W300-V312 HydrophobicContact CG-CG2 3.94Å; W300-V312 HydrophobicContact CH2-CG2 4.49Å; W300-V312 HydrophobicContact CZ2-CB 4.23Å; W300-V312 HydrophobicContact CZ2-CG2 3.87Å; V309-V312 HydrophobicContact CG1-CG2 3.61Å; V312-F328 WeakPolarHBondContact CA-O 3.32Å; V312-V329 HydrophobicContact CG2-CG1 4.36Å; V312-V329 HydrophobicContact CG2-CG2 4.4Å
313K89.3Confident86.2Confident91 Ų9163.8 Ų63.840%0.39635%0.349SS..EExtended strand (participates in β ladder)trans-145.2114.1173.5-179.7173.3-177.4170.70110.7I315 G327 F328K313-I315 HydrophobicContact CD-CD1 4.2Å; K313-I315 HydrophobicContact CG-CD1 4.13Å; K313-G327 CarbonylContact O-C 3.56Å; K313-G327 WeakPolarHBondContact O-CA 3.34Å; K313-F328 PolarHBondContact N-O 3.08Å; K313-F328 PolarHBondContact O-N 2.95Å
314V90.5Very high85.8Confident7 Ų769 Ų694%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-84143.6168-173.80000108.7L290 E296 L299 C323L290-V314 HydrophobicContact CD1-CG1 4.28Å; E296-V314 HydrophobicContact CG-CG2 4.06Å; E296-V314 WeakPolarHBondContact OE1-CA 3.3Å; E296-V314 VanDerWaalsContact OE1-CB 3.3Å; E296-V314 WeakPolarHBondContact OE1-CB 3.49Å; E296-V314 PolarHBondContact OE1-N 3.24Å; L299-V314 HydrophobicContact CD1-CG2 3.79Å; V314-C323 HydrophobicContact CG1-CB 3.74Å; V314-C323 VanDerWaalsContact CG1-SG 3.53Å
315I87.6Confident85.6Confident40 Ų4067.3 Ų67.321%0.20535%0.354CS..EExtended strand (participates in β ladder)trans-95120.6174.2-56.9-54000108.3K313 K324 F326 F328K313-I315 HydrophobicContact CD-CD1 4.2Å; K313-I315 HydrophobicContact CG-CD1 4.13Å; I315-K324 HydrophobicContact CG2-CD 4.12Å; I315-K324 HydrophobicContact CG2-CG 4.26Å; I315-K324 PolarHBondContact O-N 3.39Å; I315-F326 HydrophobicContact CB-CD2 4.04Å; I315-F326 HydrophobicContact CB-CE1 4.44Å; I315-F326 HydrophobicContact CB-CE2 3.72Å; I315-F326 HydrophobicContact CB-CZ 3.93Å; I315-F326 HydrophobicContact CG1-CD2 3.82Å; I315-F326 HydrophobicContact CG1-CE2 3.47Å; I315-F326 VanDerWaalsContact CG1-CE2 3.47Å; I315-F326 HydrophobicContact CG1-CZ 4.13Å; I315-F326 HydrophobicContact CG2-CE1 4.34Å; I315-F326 HydrophobicContact CG2-CE2 4.02Å; I315-F326 HydrophobicContact CG2-CZ 3.77Å; I315-F326 PolarHBondContact N-O 2.82Å; I315-F328 HydrophobicContact CD1-CD2 4.37Å; I315-F328 HydrophobicContact CD1-CE2 4.21Å; I315-F328 HydrophobicContact CG1-CD2 4.27Å; I315-F328 HydrophobicContact CG1-CE2 3.9Å
316R88.8Confident85.6Confident78 Ų7865.1 Ų65.129%0.29434%0.335SS..EExtended strand (participates in β ladder)trans-111.4154.9-178.1-63.4168.4-171.3-91.53.8110.5D295 E296 N321 K322 C323 K324D295-R316 IonicContact OD1-CZ 3.66Å; D295-R316 IonicContact OD1-NH1 3.79Å; D295-R316 PolarHBondContact OD1-NH1 3.2Å; D295-R316 IonicContact OD1-NH2 2.7Å; D295-R316 PolarHBondContact OD1-NH2 3.34Å; E296-R316 IonicContact OE2-CZ 3.66Å; E296-R316 IonicContact OE2-NE 2.77Å; E296-R316 IonicContact OE2-NH2 3.94Å; E296-R316 PolarHBondContact OE2-NH2 2.92Å; R316-N321 WeakPolarHBondContact CD-O 3.35Å; R316-N321 WeakPolarHBondContact CG-O 3.22Å; R316-N321 PolarHBondContact NH1-O 2.87Å; R316-K322 CarbonylContact C-O 3.54Å; R316-K322 WeakPolarHBondContact CA-O 3.32Å; R316-C323 PolarHBondContact NH1-SG 2.78Å; R316-C323 VanDerWaalsContact NH1-SG 3.44Å; R316-K324 VanDerWaalsContact C-CG 3.43Å
317D81.9Confident85.6Confident36 Ų3662.5 Ų62.519%0.19332%0.323CS..  trans-78.6136.4170.2-162.8-86.2000110.6N319 N321 K322 K324D317-N319 PolarHBondContact O-N 3.47Å; D317-N319 WeakPolarHBondContact OD1-CB 3.12Å; D317-N319 PolarHBondContact OD1-N 3.38Å; D317-N319 PolarHBondContact OD1-ND2 3.43Å; D317-N321 VanDerWaalsContact O-CA 3.24Å; D317-N321 WeakPolarHBondContact O-CA 3.37Å; D317-N321 PolarHBondContact O-N 3.3Å; D317-K322 PolarHBondContact N-O 2.9Å; D317-K324 HydrophobicContact CB-CD 4.17Å; D317-K324 HydrophobicContact CB-CG 4.18Å; D317-K324 VanDerWaalsContact OD2-CE 3.23Å; D317-K324 WeakPolarHBondContact OD2-CE 3.45Å; D317-K324 IonicContact OD2-NZ 2.64Å; D317-K324 PolarHBondContact OD2-NZ 2.91Å
318F77.8Confident85.9Confident176 Ų17663.8 Ų63.877%0.77232%0.323SS*.THydrogen-bonded Turntrans-63.1-31.6-177-176.4-99.4000112.8
319N78.1Confident86.2Confident133 Ų13361.1 Ų61.171%0.71130%0.301SS*.THydrogen-bonded Turntrans-85.6-29-172.5-51.4-81.6000112.7D317D317-N319 PolarHBondContact O-N 3.47Å; D317-N319 WeakPolarHBondContact OD1-CB 3.12Å; D317-N319 PolarHBondContact OD1-N 3.38Å; D317-N319 PolarHBondContact OD1-ND2 3.43Å
320T80.9Confident86.3Confident90 Ų9061.3 Ų61.355%0.55230%0.302SS*.THydrogen-bonded Turntrans-118.8-9.7-17464.70000114.1K322T320-K322 PolarHBondContact O-N 2.88Å
321N76.9Confident86.4Confident110 Ų11057.6 Ų57.659%0.58828%0.283SS*.  trans55.5-0.2-171.5-73.4-85.9000116.2R316 D317R316-N321 WeakPolarHBondContact CD-O 3.35Å; R316-N321 WeakPolarHBondContact CG-O 3.22Å; R316-N321 PolarHBondContact NH1-O 2.87Å; D317-N321 VanDerWaalsContact O-CA 3.24Å; D317-N321 WeakPolarHBondContact O-CA 3.37Å; D317-N321 PolarHBondContact O-N 3.3Å
322K80.9Confident86.4Confident97 Ų9756.1 Ų56.142%0.42228%0.277SS..  trans-72.2149.7172.6-77.1178.4174.5-77.20111.3P292 D293 R316 D317 T320P292-K322 HydrophobicContact CB-CB 4.28Å; P292-K322 HydrophobicContact CB-CD 4.38Å; D293-K322 VanDerWaalsContact CG-NZ 3.3Å; D293-K322 IonicContact OD1-NZ 2.59Å; D293-K322 PolarHBondContact OD1-NZ 2.86Å; D293-K322 IonicContact OD2-NZ 3.22Å; D293-K322 PolarHBondContact OD2-NZ 2.89Å; R316-K322 CarbonylContact C-O 3.54Å; R316-K322 WeakPolarHBondContact CA-O 3.32Å; D317-K322 PolarHBondContact N-O 2.9Å; T320-K322 PolarHBondContact O-N 2.88Å
323C84Confident86.3Confident9 Ų959 Ų596%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-71132.9-174.9-56.70000111S291 P292 S294 V314 R316 G325S291-C323 WeakPolarHBondContact O-CB 3.48Å; P292-C323 PolarHBondContact O-N 3.48Å; S294-C323 PolarHBondContact O-SG 2.93Å; V314-C323 HydrophobicContact CG1-CB 3.74Å; V314-C323 VanDerWaalsContact CG1-SG 3.53Å; R316-C323 PolarHBondContact NH1-SG 2.78Å; R316-C323 VanDerWaalsContact NH1-SG 3.44Å; C323-G325 PolarHBondContact O-N 2.87Å
324K84.1Confident86.3Confident108 Ų10859.5 Ų59.547%0.4729%0.292SS..EExtended strand (participates in β ladder)trans-75.720.8-178.9-48-16175.6155.40113I315 R316 D317 F326I315-K324 HydrophobicContact CG2-CD 4.12Å; I315-K324 HydrophobicContact CG2-CG 4.26Å; I315-K324 PolarHBondContact O-N 3.39Å; R316-K324 VanDerWaalsContact C-CG 3.43Å; D317-K324 HydrophobicContact CB-CD 4.17Å; D317-K324 HydrophobicContact CB-CG 4.18Å; D317-K324 VanDerWaalsContact OD2-CE 3.23Å; D317-K324 WeakPolarHBondContact OD2-CE 3.45Å; D317-K324 IonicContact OD2-NZ 2.64Å; D317-K324 PolarHBondContact OD2-NZ 2.91Å; K324-F326 HydrophobicContact CB-CD1 4.21Å; K324-F326 HydrophobicContact CB-CE1 3.95Å; K324-F326 WeakPolarHBondContact O-CD1 3.48Å
325G86.3Confident86.2Confident9 Ų964.4 Ų64.49%0.09332%0.318CS..EExtended strand (participates in β ladder)trans78.36.9-17700000115.6Y288 N289 L290 C323Y288-G325 CarbonylContact C-O 3.49Å; N289-G325 WeakPolarHBondContact CA-O 3.24Å; N289-G325 PolarHBondContact N-O 3Å; L290-G325 PolarHBondContact N-O 2.97Å; C323-G325 PolarHBondContact O-N 2.87Å
326F91.4Very high86.3Confident56 Ų5664.7 Ų64.725%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-150.6159.6-179.770.6-88.2000115.2F286 V287 Y288 I315 K324 F328F286-F326 HydrophobicContact CE2-CB 3.93Å; F286-F326 AromaticContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CD2 3.75Å; F286-F326 HydrophobicContact CE2-CG 4.11Å; F286-F326 HydrophobicContact CZ-CB 4.27Å; V287-F326 CarbonylContact O-C 3.57Å; V287-F326 WeakPolarHBondContact O-CA 3.48Å; V287-F326 WeakPolarHBondContact O-CB 3.37Å; Y288-F326 HydrophobicContact CD2-CB 3.74Å; Y288-F326 HydrophobicContact CD2-CG 4.48Å; Y288-F326 HydrophobicContact CE2-CB 4.45Å; I315-F326 HydrophobicContact CB-CD2 4.04Å; I315-F326 HydrophobicContact CB-CE1 4.44Å; I315-F326 HydrophobicContact CB-CE2 3.72Å; I315-F326 HydrophobicContact CB-CZ 3.93Å; I315-F326 HydrophobicContact CG1-CD2 3.82Å; I315-F326 HydrophobicContact CG1-CE2 3.47Å; I315-F326 VanDerWaalsContact CG1-CE2 3.47Å; I315-F326 HydrophobicContact CG1-CZ 4.13Å; I315-F326 HydrophobicContact CG2-CE1 4.34Å; I315-F326 HydrophobicContact CG2-CE2 4.02Å; I315-F326 HydrophobicContact CG2-CZ 3.77Å; I315-F326 PolarHBondContact N-O 2.82Å; K324-F326 HydrophobicContact CB-CD1 4.21Å; K324-F326 HydrophobicContact CB-CE1 3.95Å; K324-F326 WeakPolarHBondContact O-CD1 3.48Å; F326-F328 HydrophobicContact CD2-CE2 4.23Å; F326-F328 HydrophobicContact CD2-CZ 4.4Å; F326-F328 HydrophobicContact CE2-CE2 4.15Å; F326-F328 HydrophobicContact CE2-CZ 4.35Å
327G91.3Very high86.4Confident0 Ų061 Ų610%030%0.304CS..EExtended strand (participates in β ladder)trans-156-179.3178.800000112.4V287 K313V287-G327 PolarHBondContact N-O 2.85Å; V287-G327 PolarHBondContact O-N 2.95Å; K313-G327 CarbonylContact O-C 3.56Å; K313-G327 WeakPolarHBondContact O-CA 3.34Å
328F93.8Very high86.8Confident45 Ų4560.8 Ų60.820%0.19731%0.307CS..EExtended strand (participates in β ladder)trans-131.1139.7179.2-58.4-83.7000109.9I285 F286 V312 K313 I315 F326 K359I285-F328 WeakPolarHBondContact O-CA 3.28Å; F286-F328 HydrophobicContact CB-CD1 4.48Å; F286-F328 HydrophobicContact CB-CE1 4.44Å; F286-F328 HydrophobicContact CD2-CD1 4.03Å; F286-F328 AromaticContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CE1 3.52Å; F286-F328 HydrophobicContact CD2-CZ 4.01Å; F286-F328 HydrophobicContact CE2-CE1 4.22Å; F286-F328 HydrophobicContact CE2-CZ 4.26Å; F286-F328 HydrophobicContact CG-CE1 4.39Å; V312-F328 WeakPolarHBondContact CA-O 3.32Å; K313-F328 PolarHBondContact N-O 3.08Å; K313-F328 PolarHBondContact O-N 2.95Å; I315-F328 HydrophobicContact CD1-CD2 4.37Å; I315-F328 HydrophobicContact CD1-CE2 4.21Å; I315-F328 HydrophobicContact CG1-CD2 4.27Å; I315-F328 HydrophobicContact CG1-CE2 3.9Å; F326-F328 HydrophobicContact CD2-CE2 4.23Å; F326-F328 HydrophobicContact CD2-CZ 4.4Å; F326-F328 HydrophobicContact CE2-CE2 4.15Å; F326-F328 HydrophobicContact CE2-CZ 4.35Å; F328-K359 HydrophobicContact CD1-CD 3.91Å; F328-K359 HydrophobicContact CD1-CG 4.39Å; F328-K359 HydrophobicContact CE1-CD 3.87Å; F328-K359 HydrophobicContact CE1-CG 4.13Å
329V93.3Very high87.5Confident0 Ų057.5 Ų57.50%030%0.296CS..EExtended strand (participates in β ladder)trans-121.3140.8171.8-178.40000107.4C284 I285 V287 L299 F303 V309 N311 V312 M331C284-V329 CarbonylContact C-O 3.54Å; C284-V329 WeakPolarHBondContact CA-O 3.35Å; I285-V329 HydrophobicContact CB-CB 4.41Å; I285-V329 PolarHBondContact N-O 3.1Å; I285-V329 PolarHBondContact O-N 2.83Å; V287-V329 HydrophobicContact CG2-CG2 4.16Å; L299-V329 HydrophobicContact CB-CG2 4.11Å; L299-V329 HydrophobicContact CD1-CG2 4.14Å; L299-V329 HydrophobicContact CD2-CG2 4.37Å; L299-V329 HydrophobicContact CG-CG2 4.46Å; F303-V329 HydrophobicContact CB-CG1 4.12Å; F303-V329 HydrophobicContact CD1-CB 4.44Å; F303-V329 HydrophobicContact CD1-CG1 4.01Å; F303-V329 HydrophobicContact CD2-CG1 4.41Å; F303-V329 HydrophobicContact CD2-CG2 3.9Å; F303-V329 HydrophobicContact CE2-CG2 3.94Å; F303-V329 HydrophobicContact CG-CB 4.46Å; F303-V329 HydrophobicContact CG-CG1 3.91Å; F303-V329 HydrophobicContact CG-CG2 4.24Å; F303-V329 HydrophobicContact CZ-CG2 4.3Å; V309-V329 HydrophobicContact CG1-CG1 3.77Å; V309-V329 HydrophobicContact CG2-CG1 4.27Å; N311-V329 CarbonylContact O-C 3.52Å; N311-V329 WeakPolarHBondContact O-CA 3.21Å; V312-V329 HydrophobicContact CG2-CG1 4.36Å; V312-V329 HydrophobicContact CG2-CG2 4.4Å; V329-M331 HydrophobicContact CG1-CG 4.26Å
330T90.9Very high88.2Confident25 Ų2551.1 Ų51.115%0.15326%0.262CS..EExtended strand (participates in β ladder)trans-122116.1174.4-54.20000108.2W283 N310 N311W283-T330 WeakPolarHBondContact O-CA 3.38Å; N310-T330 WeakPolarHBondContact CA-O 3.43Å; N310-T330 WeakPolarHBondContact CB-O 3.39Å; N310-T330 PolarHBondContact N-O 2.85Å; N311-T330 PolarHBondContact N-O 3.31Å; N311-T330 PolarHBondContact O-N 3.44Å
331M89Confident88.8Confident0 Ų048 Ų480%024%0.242CC..EExtended strand (participates in β ladder)trans-101.3156.9176.8-66.2178.572.300110.7G282 W283 I285 F303 F306 A308 V309 V329 E336 A337 A340G282-M331 CarbonylContact C-O 3.6Å; G282-M331 VanDerWaalsContact C-O 3.31Å; G282-M331 WeakPolarHBondContact CA-O 3.26Å; W283-M331 PolarHBondContact N-O 2.75Å; W283-M331 PolarHBondContact O-N 2.96Å; I285-M331 HydrophobicContact CD1-CG 4.18Å; I285-M331 HydrophobicContact CD1-SD 3.62Å; F303-M331 HydrophobicContact CD1-SD 3.92Å; F306-M331 HydrophobicContact CB-CE 4.03Å; A308-M331 CarbonylContact O-C 3.5Å; A308-M331 WeakPolarHBondContact O-CA 3.35Å; V309-M331 HydrophobicContact CG2-CG 4.15Å; V329-M331 HydrophobicContact CG1-CG 4.26Å; M331-E336 HydrophobicContact CE-CB 3.74Å; M331-A337 HydrophobicContact CB-CB 4.26Å; M331-A337 HydrophobicContact SD-CB 4.2Å; M331-A340 HydrophobicContact CE-CB 4.37Å; M331-A340 HydrophobicContact SD-CB 3.86Å
332T87.6Confident89.4Confident54 Ų5446.7 Ų46.733%0.33125%0.246SC..SBendtrans-70.1-44.5-179.650.10000112.6A308 N310A308-T332 HydrophobicContact CB-CG2 4.16Å; A308-T332 PolarHBondContact O-N 2.78Å; A308-T332 PolarHBondContact O-OG1 3.07Å; N310-T332 HydrophobicContact CB-CG2 4.4Å
333N88.4Confident89.9Confident75 Ų7545.2 Ų45.240%0.40125%0.248SC..  trans-108.9152.9-168.4-59-37.2000112.4E336 A337N333-E336 HydrophobicContact CB-CB 4.19Å; N333-E336 HydrophobicContact CB-CG 3.95Å; N333-E336 VanDerWaalsContact ND2-CD 3.28Å; N333-E336 PolarHBondContact ND2-OE1 3.24Å; N333-E336 PolarHBondContact ND2-OE2 2.89Å; N333-A337 WeakPolarHBondContact O-CB 3.39Å; N333-A337 PolarHBondContact O-N 3.5Å
334Y88.2Confident90.4Very high102 Ų10245.1 Ų45.140%0.425%0.247SC..Hα-helixtrans-72.7-48.9-176.1176-105.6000111.7W283 A337 A338 F358W283-Y334 AromaticContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CD2 3.75Å; W283-Y334 HydrophobicContact CD2-CG 4.45Å; W283-Y334 AromaticContact CE2-CD2 3.92Å; W283-Y334 AromaticContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CD2 3.64Å; W283-Y334 HydrophobicContact CE3-CE2 4.27Å; W283-Y334 HydrophobicContact CG-CD2 4.46Å; W283-Y334 AromaticContact CH2-CD2 3.87Å; W283-Y334 HydrophobicContact CH2-CD2 3.87Å; W283-Y334 AromaticContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CD2 3.99Å; W283-Y334 HydrophobicContact CZ2-CG 4.29Å; W283-Y334 AromaticContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CD2 3.7Å; W283-Y334 HydrophobicContact CZ3-CE2 4.15Å; Y334-A337 CarbonylContact O-C 3.6Å; Y334-A337 WeakPolarHBondContact O-CA 3.49Å; Y334-A337 WeakPolarHBondContact O-CB 3.47Å; Y334-A337 PolarHBondContact O-N 3.17Å; Y334-A337 VanDerWaalsContact O-N 3.1Å; Y334-A338 PolarHBondContact O-N 2.84Å; Y334-F358 HydrophobicContact CD2-CE1 4.34Å; Y334-F358 AromaticContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CE2-CE1 4.18Å; Y334-F358 AromaticContact CE2-CE2 3.82Å; Y334-F358 HydrophobicContact CE2-CE2 3.82Å; Y334-F358 AromaticContact CE2-CZ 3.46Å; Y334-F358 HydrophobicContact CE2-CZ 3.46Å; Y334-F358 VanDerWaalsContact CE2-CZ 3.46Å
335D89.1Confident90.7Very high110 Ų11044.3 Ų44.359%0.58825%0.247SC*.Hα-helixtrans-70-38.3-171.6-48.1-87.2000110.9A338 M339D335-A338 PolarHBondContact O-N 3.46Å; D335-M339 WeakPolarHBondContact O-CB 3.29Å; D335-M339 WeakPolarHBondContact O-CG 3.45Å; D335-M339 PolarHBondContact O-N 3.4Å
336E89.8Confident90.8Very high46 Ų4646 Ų4622%0.21526%0.264CS..Hα-helixtrans-56.1-47.1167.4-67.1175.8-165.600111.8F306 G307 A308 M331 N333 M339 A340F306-E336 VanDerWaalsContact O-CB 3.28Å; F306-E336 WeakPolarHBondContact O-CB 3.12Å; F306-E336 WeakPolarHBondContact O-CG 3.29Å; G307-E336 WeakPolarHBondContact CA-OE2 3.34Å; A308-E336 PolarHBondContact N-OE2 3.14Å; A308-E336 VanDerWaalsContact N-OE2 3.1Å; M331-E336 HydrophobicContact CE-CB 3.74Å; N333-E336 HydrophobicContact CB-CB 4.19Å; N333-E336 HydrophobicContact CB-CG 3.95Å; N333-E336 VanDerWaalsContact ND2-CD 3.28Å; N333-E336 PolarHBondContact ND2-OE1 3.24Å; N333-E336 PolarHBondContact ND2-OE2 2.89Å; E336-M339 PolarHBondContact O-N 2.8Å; E336-A340 WeakPolarHBondContact O-CB 3.43Å; E336-A340 PolarHBondContact O-N 3.24Å
337A90.5Very high90.9Very high0 Ų048.3 Ų48.30%027%0.272CS..Hα-helixtrans-66.3-37.8177.700000112.5W283 I285 M331 N333 Y334 A340 I341 F358W283-A337 HydrophobicContact CB-CB 3.94Å; I285-A337 HydrophobicContact CD1-CB 3.86Å; I285-A337 HydrophobicContact CG1-CB 4.26Å; M331-A337 HydrophobicContact CB-CB 4.26Å; M331-A337 HydrophobicContact SD-CB 4.2Å; N333-A337 WeakPolarHBondContact O-CB 3.39Å; N333-A337 PolarHBondContact O-N 3.5Å; Y334-A337 CarbonylContact O-C 3.6Å; Y334-A337 WeakPolarHBondContact O-CA 3.49Å; Y334-A337 WeakPolarHBondContact O-CB 3.47Å; Y334-A337 PolarHBondContact O-N 3.17Å; Y334-A337 VanDerWaalsContact O-N 3.1Å; A337-A340 PolarHBondContact O-N 2.89Å; A337-I341 WeakPolarHBondContact O-CB 3.39Å; A337-I341 WeakPolarHBondContact O-CD1 3.43Å; A337-I341 VanDerWaalsContact O-CG1 3.26Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3Å; A337-F358 HydrophobicContact CB-CE1 3.84Å; A337-F358 HydrophobicContact CB-CZ 4.24Å
338A90.7Very high90.8Very high31 Ų3157 Ų5726%0.25631%0.305SS..Hα-helixtrans-66.9-42.417600000111.8Y334 D335 I341 A342 F358Y334-A338 PolarHBondContact O-N 2.84Å; D335-A338 PolarHBondContact O-N 3.46Å; A338-I341 PolarHBondContact O-N 3.27Å; A338-A342 WeakPolarHBondContact O-CB 3.36Å; A338-A342 PolarHBondContact O-N 3.38Å; A338-F358 HydrophobicContact CB-CZ 4.24Å
339M91.6Very high90.4Very high107 Ų10756.7 Ų56.753%0.52731%0.305SS..Hα-helixtrans-64.5-41.2173.5-72.3-172.3-65.200112.3F306 D335 E336 A342 S343F306-M339 HydrophobicContact CD1-CB 4.46Å; D335-M339 WeakPolarHBondContact O-CB 3.29Å; D335-M339 WeakPolarHBondContact O-CG 3.45Å; D335-M339 PolarHBondContact O-N 3.4Å; E336-M339 PolarHBondContact O-N 2.8Å; M339-A342 PolarHBondContact O-N 3.04Å; M339-S343 VanDerWaalsContact O-CB 3.32Å; M339-S343 WeakPolarHBondContact O-CB 3.47Å; M339-S343 PolarHBondContact O-N 2.77Å; M339-S343 PolarHBondContact O-OG 2.95Å
340A93.3Very high90Very high0 Ų059.6 Ų59.60%034%0.335CS..Hα-helixtrans-61.3-45.7173.800000111.6I285 F303 F306 M331 E336 A337 S343 L344I285-A340 HydrophobicContact CD1-CB 4.41Å; F303-A340 HydrophobicContact CD1-CB 3.77Å; F303-A340 HydrophobicContact CE1-CB 3.91Å; F306-A340 HydrophobicContact CB-CB 3.72Å; F306-A340 HydrophobicContact CD1-CB 4.38Å; F306-A340 HydrophobicContact CD2-CB 4.07Å; F306-A340 HydrophobicContact CG-CB 3.79Å; M331-A340 HydrophobicContact CE-CB 4.37Å; M331-A340 HydrophobicContact SD-CB 3.86Å; E336-A340 WeakPolarHBondContact O-CB 3.43Å; E336-A340 PolarHBondContact O-N 3.24Å; A337-A340 PolarHBondContact O-N 2.89Å; A340-S343 PolarHBondContact O-N 2.93Å; A340-L344 HydrophobicContact CB-CD1 4.48Å; A340-L344 WeakPolarHBondContact O-CB 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.48Å; A340-L344 PolarHBondContact O-N 2.95Å
341I93.1Very high89.8Confident25 Ų2566.5 Ų66.513%0.12837%0.371CS..Hα-helixtrans-59.2-50.1174.3-73.9159.9000110.7I285 A337 A338 S343 N345 V356 F358I285-I341 HydrophobicContact CD1-CD1 4.49Å; I285-I341 HydrophobicContact CD1-CG1 4.31Å; I285-I341 HydrophobicContact CG1-CD1 4.22Å; I285-I341 HydrophobicContact CG1-CG1 4.39Å; I285-I341 HydrophobicContact CG2-CD1 4.29Å; I285-I341 HydrophobicContact CG2-CG1 3.86Å; A337-I341 WeakPolarHBondContact O-CB 3.39Å; A337-I341 WeakPolarHBondContact O-CD1 3.43Å; A337-I341 VanDerWaalsContact O-CG1 3.26Å; A337-I341 WeakPolarHBondContact O-CG1 3.48Å; A337-I341 PolarHBondContact O-N 3Å; A338-I341 PolarHBondContact O-N 3.27Å; I341-S343 PolarHBondContact O-N 2.83Å; I341-N345 WeakPolarHBondContact O-CB 3.48Å; I341-N345 PolarHBondContact O-N 3.38Å; I341-V356 HydrophobicContact CB-CG1 4.48Å; I341-V356 HydrophobicContact CG1-CG1 3.97Å; I341-F358 HydrophobicContact CD1-CB 4.38Å; I341-F358 HydrophobicContact CD1-CD1 3.58Å; I341-F358 HydrophobicContact CD1-CD2 3.54Å; I341-F358 HydrophobicContact CD1-CE1 3.59Å; I341-F358 HydrophobicContact CD1-CE2 3.55Å; I341-F358 HydrophobicContact CD1-CG 3.55Å; I341-F358 HydrophobicContact CD1-CZ 3.58Å
342A91.1Very high89.7Confident81 Ų8170.9 Ų70.967%0.66939%0.388SS*.Hα-helixtrans-63-29.1-177.800000113.5A338 M339A338-A342 WeakPolarHBondContact O-CB 3.36Å; A338-A342 PolarHBondContact O-N 3.38Å; M339-A342 PolarHBondContact O-N 3.04Å
343S90.9Very high89.9Confident67 Ų6771 Ų7147%0.46939%0.388SS..Hα-helixtrans-94.6-28.4-176.9-520000113.9F306 M339 A340 I341F306-S343 VanDerWaalsContact CE1-CB 3.41Å; F306-S343 WeakPolarHBondContact CE1-OG 3.18Å; F306-S343 VanDerWaalsContact CZ-CB 3.43Å; M339-S343 VanDerWaalsContact O-CB 3.32Å; M339-S343 WeakPolarHBondContact O-CB 3.47Å; M339-S343 PolarHBondContact O-N 2.77Å; M339-S343 PolarHBondContact O-OG 2.95Å; A340-S343 PolarHBondContact O-N 2.93Å; I341-S343 PolarHBondContact O-N 2.83Å
344L93.1Very high90.1Very high7 Ų767.4 Ų67.44%0.03737%0.369CS..Hα-helixtrans-102.3-17.6-176-61.7172.6000113.6L302 F303 F306 A340 G346 Y347 V356L302-L344 HydrophobicContact CB-CD1 4.31Å; L302-L344 HydrophobicContact CB-CD2 4.41Å; L302-L344 HydrophobicContact CD2-CD2 4.24Å; F303-L344 HydrophobicContact CD1-CD1 3.87Å; F303-L344 HydrophobicContact CD2-CD1 3.8Å; F303-L344 HydrophobicContact CE1-CD1 3.68Å; F303-L344 HydrophobicContact CE2-CD1 3.62Å; F303-L344 HydrophobicContact CG-CD1 3.93Å; F303-L344 HydrophobicContact CZ-CD1 3.56Å; F306-L344 HydrophobicContact CD2-CD1 4.14Å; F306-L344 HydrophobicContact CE2-CD1 3.86Å; F306-L344 HydrophobicContact CE2-CD2 4Å; F306-L344 HydrophobicContact CE2-CG 3.85Å; F306-L344 HydrophobicContact CZ-CD2 4.45Å; F306-L344 HydrophobicContact CZ-CG 4.31Å; A340-L344 HydrophobicContact CB-CD1 4.48Å; A340-L344 WeakPolarHBondContact O-CB 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.48Å; A340-L344 PolarHBondContact O-N 2.95Å; L344-G346 PolarHBondContact O-N 2.83Å; L344-Y347 HydrophobicContact CD2-CD2 4.33Å; L344-Y347 HydrophobicContact CD2-CG 4.31Å; L344-Y347 WeakPolarHBondContact O-CB 3.44Å; L344-Y347 PolarHBondContact O-N 2.9Å; L344-V356 HydrophobicContact CB-CB 4.5Å; L344-V356 HydrophobicContact CB-CG2 3.95Å; L344-V356 WeakPolarHBondContact O-CG2 3.44Å
345N91.5Very high90.3Very high91 Ų9167.9 Ų67.949%0.48738%0.375SS..THydrogen-bonded Turntrans-70.6113.8172.1-171.240.2000110I341 Q355 V356I341-N345 WeakPolarHBondContact O-CB 3.48Å; I341-N345 PolarHBondContact O-N 3.38Å; N345-Q355 WeakPolarHBondContact OD1-CA 3.23Å; N345-V356 HydrophobicContact CB-CB 4Å; N345-V356 WeakPolarHBondContact CB-O 3.45Å; N345-V356 VanDerWaalsContact CG-O 3.32Å; N345-V356 PolarHBondContact OD1-N 3.35Å; N345-V356 PolarHBondContact OD1-O 3.39Å
346G89.3Confident90.5Very high43 Ų4362.8 Ų62.844%0.44335%0.348SS..THydrogen-bonded Turntrans95.5-0.5-169.800000114.6L344 L354L344-G346 PolarHBondContact O-N 2.83Å; G346-L354 PolarHBondContact N-O 2.98Å
347Y91.6Very high90.6Very high105 Ų10563.2 Ų63.241%0.41236%0.356SS..  trans-66.3138.8177.9-176.6-92000111.9L302 L344 L349 V353 L354L302-Y347 HydrophobicContact CD2-CD1 4.23Å; L302-Y347 HydrophobicContact CD2-CE1 3.7Å; L344-Y347 HydrophobicContact CD2-CD2 4.33Å; L344-Y347 HydrophobicContact CD2-CG 4.31Å; L344-Y347 WeakPolarHBondContact O-CB 3.44Å; L344-Y347 PolarHBondContact O-N 2.9Å; Y347-L349 HydrophobicContact CD1-CB 4.43Å; Y347-L349 HydrophobicContact CE1-CB 4.46Å; Y347-V353 CarbonylContact O-C 3.58Å; Y347-V353 WeakPolarHBondContact O-CA 3.09Å; Y347-L354 HydrophobicContact CD1-CD1 4.07Å; Y347-L354 PolarHBondContact O-N 2.64Å
348R90.8Very high90.7Very high183 Ų18366.1 Ų66.169%0.69137%0.369SS*.EExtended strand (participates in β ladder)trans-91.8110.1178.5-74.5177.1178.5-1022.3111.2R352 V353R348-R352 CarbonylContact C-O 3.59Å; R348-R352 WeakPolarHBondContact CA-O 3.38Å; R348-V353 HydrophobicContact CG-CG2 4.06Å
349L85.6Confident90.4Very high38 Ų3869.3 Ų69.320%0.19938%0.377CS..EExtended strand (participates in β ladder)trans-105.890.1173.1-174.969.3000108.7L290 V298 Y347 R352 L354L290-L349 HydrophobicContact CD2-CD2 4.27Å; V298-L349 HydrophobicContact CG1-CD1 3.86Å; V298-L349 HydrophobicContact CG1-CD2 3.98Å; Y347-L349 HydrophobicContact CD1-CB 4.43Å; Y347-L349 HydrophobicContact CE1-CB 4.46Å; L349-R352 PolarHBondContact N-O 2.93Å; L349-R352 PolarHBondContact O-N 2.78Å; L349-L354 HydrophobicContact CB-CD1 4.12Å; L349-L354 HydrophobicContact CB-CD2 4Å; L349-L354 HydrophobicContact CB-CG 3.99Å; L349-L354 HydrophobicContact CD2-CD1 4.34Å; L349-L354 HydrophobicContact CD2-CD2 4.08Å
350G84Confident89.7Confident62 Ų6270.1 Ų70.164%0.63939%0.388SS*.THydrogen-bonded Turntrans63-139.8-164.800000110.9R352G350-R352 PolarHBondContact O-N 3.09Å; G350-R352 VanDerWaalsContact O-N 3.17Å
351D85.9Confident87.8Confident169 Ų16976.2 Ų76.290%0.90442%0.421SS*.THydrogen-bonded Turntrans-71.2-3.1178.4-56.2-69000114.4
352R86.9Confident85.5Confident93 Ų9383.9 Ų83.935%0.35145%0.453SS..EExtended strand (participates in β ladder)trans-104.3133.9-177.5-63.1-172.2-178.7-147.6-11.9112.3N289 L290 R348 L349 G350N289-R352 WeakPolarHBondContact O-CB 3.45Å; N289-R352 WeakPolarHBondContact O-CD 3.34Å; L290-R352 WeakPolarHBondContact O-CD 3.36Å; L290-R352 PolarHBondContact O-NH1 3.46Å; R348-R352 CarbonylContact C-O 3.59Å; R348-R352 WeakPolarHBondContact CA-O 3.38Å; L349-R352 PolarHBondContact N-O 2.93Å; L349-R352 PolarHBondContact O-N 2.78Å; G350-R352 PolarHBondContact O-N 3.09Å; G350-R352 VanDerWaalsContact O-N 3.17Å
353V91.8Very high83.1Confident55 Ų5584.3 Ų84.333%0.33346%0.456SS..EExtended strand (participates in β ladder)trans-90.3113.8170.71790000108.3N289 Y347 R348N289-V353 WeakPolarHBondContact CB-O 3.2Å; N289-V353 PolarHBondContact ND2-O 2.8Å; Y347-V353 CarbonylContact O-C 3.58Å; Y347-V353 WeakPolarHBondContact O-CA 3.09Å; R348-V353 HydrophobicContact CG-CG2 4.06Å
354L93.4Very high80.4Confident1 Ų189.8 Ų89.81%0.00547%0.474CS..  trans-67.2139.5178.3-59.6-173.7000110.8L290 L302 G346 Y347 L349 V356L290-L354 HydrophobicContact CD2-CD2 3.82Å; L302-L354 HydrophobicContact CD1-CD1 3.91Å; G346-L354 PolarHBondContact N-O 2.98Å; Y347-L354 HydrophobicContact CD1-CD1 4.07Å; Y347-L354 PolarHBondContact O-N 2.64Å; L349-L354 HydrophobicContact CB-CD1 4.12Å; L349-L354 HydrophobicContact CB-CD2 4Å; L349-L354 HydrophobicContact CB-CG 3.99Å; L349-L354 HydrophobicContact CD2-CD1 4.34Å; L349-L354 HydrophobicContact CD2-CD2 4.08Å; L354-V356 HydrophobicContact CB-CG2 4.26Å
355Q92.6Very high77.7Confident112 Ų11299.1 Ų99.152%0.52352%0.515SS..EExtended strand (participates in β ladder)trans-108.4124.6168.2-69.7178.7-9.200108.2V287 Y288 N345V287-Q355 WeakPolarHBondContact CA-O 3.32Å; Y288-Q355 PolarHBondContact N-O 2.96Å; Y288-Q355 PolarHBondContact O-N 3Å; N345-Q355 WeakPolarHBondContact OD1-CA 3.23Å
356V94.1Very high74.9Confident2 Ų2103.7 Ų103.71%0.01255%0.554CS.*EExtended strand (participates in β ladder)trans-130.6127.5-172.2-173.10000109I285 F286 V287 F303 I341 L344 N345 L354I285-V356 HydrophobicContact CG2-CG1 3.47Å; I285-V356 VanDerWaalsContact CG2-CG1 3.47Å; F286-V356 WeakPolarHBondContact O-CA 3.41Å; V287-V356 HydrophobicContact CG1-CG2 4.29Å; V287-V356 HydrophobicContact CG2-CG1 4.41Å; F303-V356 HydrophobicContact CE1-CG1 4.17Å; F303-V356 HydrophobicContact CZ-CG1 3.79Å; I341-V356 HydrophobicContact CB-CG1 4.48Å; I341-V356 HydrophobicContact CG1-CG1 3.97Å; L344-V356 HydrophobicContact CB-CB 4.5Å; L344-V356 HydrophobicContact CB-CG2 3.95Å; L344-V356 WeakPolarHBondContact O-CG2 3.44Å; N345-V356 HydrophobicContact CB-CB 4Å; N345-V356 WeakPolarHBondContact CB-O 3.45Å; N345-V356 VanDerWaalsContact CG-O 3.32Å; N345-V356 PolarHBondContact OD1-N 3.35Å; N345-V356 PolarHBondContact OD1-O 3.39Å; L354-V356 HydrophobicContact CB-CG2 4.26Å
357S91.7Very high74.2Confident55 Ų55106.8 Ų106.839%0.38556%0.559SS.*EExtended strand (participates in β ladder)trans-156.7162.8-177.660.20000111.9I285 F286 K359I285-S357 CarbonylContact C-O 3.56Å; I285-S357 WeakPolarHBondContact CA-O 3.45Å; I285-S357 WeakPolarHBondContact CG2-O 3.38Å; F286-S357 PolarHBondContact N-O 3.02Å; F286-S357 PolarHBondContact O-N 3.2Å; F286-S357 VanDerWaalsContact O-N 3.09Å; S357-K359 PolarHBondContact O-N 3.23Å
358F91.8Very high73.2Confident62 Ų62106.8 Ų106.827%0.27257%0.567SS.*EExtended strand (participates in β ladder)trans-62.4135.8169.1-73.8-65.8000110.3W283 Y334 A337 A338 I341 T360W283-F358 HydrophobicContact CB-CE1 4.26Å; W283-F358 HydrophobicContact CE3-CE1 4.47Å; Y334-F358 HydrophobicContact CD2-CE1 4.34Å; Y334-F358 AromaticContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CD2-CZ 3.91Å; Y334-F358 HydrophobicContact CE2-CE1 4.18Å; Y334-F358 AromaticContact CE2-CE2 3.82Å; Y334-F358 HydrophobicContact CE2-CE2 3.82Å; Y334-F358 AromaticContact CE2-CZ 3.46Å; Y334-F358 HydrophobicContact CE2-CZ 3.46Å; Y334-F358 VanDerWaalsContact CE2-CZ 3.46Å; A337-F358 HydrophobicContact CB-CE1 3.84Å; A337-F358 HydrophobicContact CB-CZ 4.24Å; A338-F358 HydrophobicContact CB-CZ 4.24Å; I341-F358 HydrophobicContact CD1-CB 4.38Å; I341-F358 HydrophobicContact CD1-CD1 3.58Å; I341-F358 HydrophobicContact CD1-CD2 3.54Å; I341-F358 HydrophobicContact CD1-CE1 3.59Å; I341-F358 HydrophobicContact CD1-CE2 3.55Å; I341-F358 HydrophobicContact CD1-CG 3.55Å; I341-F358 HydrophobicContact CD1-CZ 3.58Å; F358-T360 PolarHBondContact O-N 2.83Å
359K84.6Confident72.3Confident97 Ų97102.6 Ų102.642%0.42256%0.56SS.*  trans-63.8103.6179179.3-174.2178-1770110.1C284 F286 F328 S357 N361C284-K359 HydrophobicContact CB-CB 4.14Å; C284-K359 HydrophobicContact CB-CD 4.14Å; C284-K359 VanDerWaalsContact O-CB 3.29Å; C284-K359 WeakPolarHBondContact O-CB 3.46Å; C284-K359 PolarHBondContact O-N 2.68Å; C284-K359 WeakPolarHBondContact SG-CD 3.35Å; F286-K359 HydrophobicContact CB-CB 4.39Å; F328-K359 HydrophobicContact CD1-CD 3.91Å; F328-K359 HydrophobicContact CD1-CG 4.39Å; F328-K359 HydrophobicContact CE1-CD 3.87Å; F328-K359 HydrophobicContact CE1-CG 4.13Å; S357-K359 PolarHBondContact O-N 3.23Å; K359-N361 PolarHBondContact O-N 3.11Å
360T76.6Confident71.5Confident124 Ų124106.4 Ų106.476%0.76158%0.581SS**  trans-67.9125.617052.30000109.5F358 K362F358-T360 PolarHBondContact O-N 2.83Å; T360-K362 PolarHBondContact O-N 2.84Å
361N54.3Low70.7Confident129 Ų129109.2 Ų109.269%0.6958%0.578SS**  trans-80.4110.5172.1-164.16.8000108K359 A363K359-N361 PolarHBondContact O-N 3.11Å; N361-A363 VanDerWaalsContact C-N 3.31Å; N361-A363 PolarHBondContact O-N 2.88Å
362K44.5Very low69.7Low186 Ų186105.2 Ų105.281%0.80956%0.556SS**  trans-67.694.1170.9-82.3-170.6175.9-177.70108.4T360 H364T360-K362 PolarHBondContact O-N 2.84Å; K362-H364 PolarHBondContact O-N 3.2Å; K362-H364 VanDerWaalsContact O-N 3.15Å
363A40.1Very low68.5Low90 Ų90106.1 Ų106.174%0.74457%0.571SS**PPolyproline II helixtrans-52.6121.1158.900000107.6N361 K365N361-A363 VanDerWaalsContact C-N 3.31Å; N361-A363 PolarHBondContact O-N 2.88Å; A363-K365 PolarHBondContact O-N 3.15Å
364H35.2Very low66.7Low182 Ų182110 Ų11084%0.84359%0.589SS**PPolyproline II helixtrans-58.5123.9167.8-98.2-108.5000107.4K362 S366K362-H364 PolarHBondContact O-N 3.2Å; K362-H364 VanDerWaalsContact O-N 3.15Å; H364-S366 PolarHBondContact O-N 3.27Å
365K35.2Very low64.4Low203 Ų203119.1 Ų119.188%0.88364%0.637SS**PPolyproline II helixtrans-65.6116.7153.9-91.7-171.1168.1-172.10106.2A363A363-K365 PolarHBondContact O-N 3.15Å
366S32.8Very low61.9Low187 Ų187119.7 Ų119.7100%1.30865%0.648SS**  trans-62.80160.8-52.40000110.9H364H364-S366 PolarHBondContact O-N 3.27Å

Retrieved 366 of 366 residues in 2136.6 ms (Link to these results)