A0A077YY23_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY23, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 371 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low41.4Very low244 Ų244160.5 Ų160.5100%1.20284%0.844SS**  01340-75.4169.2166.900107.4
2A40Very low41.4Very low90 Ų90160.8 Ų160.874%0.74484%0.844SS**  trans19.197.5173.600000118.1
3T39.6Very low41.5Very low139 Ų139162.2 Ų162.285%0.85384%0.843SS**  71113.678.561.40000115.9
4D36.7Very low41.3Very low146 Ų146160.7 Ų160.778%0.78184%0.844SS**  trans-52.7161.2169.5-85.3-67.2000115.8
5N46.7Very low42.1Very low157 Ų157157.4 Ų157.484%0.8484%0.84SS**  trans-150.691.6134.9-115.4-52.9000111.8
6F42.7Very low42.5Very low173 Ų173158.5 Ų158.576%0.75984%0.838SS**  trans-86.5126165.2-171.9-85.6000108.2
7K44.4Very low42.8Very low196 Ų196156.3 Ų156.385%0.85284%0.835SS**  trans-132.4119.9160.6-93.4-166.7174.5-172.70111.8
8S47.3Very low43Very low84 Ų84154.8 Ų154.859%0.58783%0.833SS**  trans-67.9157.5-17541.90000114.2
9N40.4Very low42.9Very low168 Ų168159.4 Ų159.490%0.89884%0.837SS**  trans-52.3136.9153.8-64.6-36.2000109.9
10E43.6Very low43Very low182 Ų182157.6 Ų157.685%0.8583%0.827SS**  trans-115.7121.9169-156.7166.5151.700108.5
11M38.3Very low43.2Very low187 Ų187160.4 Ų160.492%0.92183%0.826SS**  trans-74.9132.6177.1-73.6174.9166.800109.3E13M11-E13 PolarHBondContact O-N 3.4Å
12I41.1Very low43.8Very low164 Ų164157.5 Ų157.584%0.84182%0.815SS**  trans-83.9111.1171.4-59.1176.9000108.4
13E42.4Very low43.8Very low179 Ų179158 Ų15884%0.83681%0.809SS**  trans-72.5133.1175.7-171.5174-179.600110.9M11 S15M11-E13 PolarHBondContact O-N 3.4Å; E13-S15 PolarHBondContact O-N 3.49Å
14V39Very low43.6Very low141 Ų141156.9 Ų156.986%0.85581%0.806SS**  trans-93.2100.3-178.9-174.90000109.2
15S53Low43.8Very low111 Ų111155.9 Ų155.978%0.77680%0.799SS**PPolyproline II helixtrans-80.4139.5179.450.90000113.1E13E13-S15 PolarHBondContact O-N 3.49Å
16E49.5Very low43.6Very low175 Ų175155.6 Ų155.682%0.81879%0.791SS**PPolyproline II helixtrans-72156-170.5-69.1-169.5141.700115V18E16-V18 PolarHBondContact O-N 3.35Å
17P46.8Very low43.4Very low121 Ų121152.6 Ų152.679%0.78679%0.787SS**PPolyproline II helixtrans-70.3120.3179.828.2-35.6000113.5R19P17-R19 PolarHBondContact O-N 2.95Å
18V47Very low43.1Very low130 Ų130152.2 Ų152.279%0.78878%0.781SS**  trans-71.8115.8175.1-179.40000111E16 I20E16-V18 PolarHBondContact O-N 3.35Å; V18-I20 HydrophobicContact CG1-CD1 4.42Å; V18-I20 HydrophobicContact CG1-CG1 4.2Å
19R41Very low42.5Very low241 Ų241156.6 Ų156.691%0.90979%0.79SS**  trans-87.3129.1171-66.4-169.9-169.9-168.75.8111.6P17P17-R19 PolarHBondContact O-N 2.95Å
20I44.9Very low42.4Very low124 Ų124154.8 Ų154.864%0.63678%0.784SS**  trans-132.4117.2165-58.5177.2000108.8V18V18-I20 HydrophobicContact CG1-CD1 4.42Å; V18-I20 HydrophobicContact CG1-CG1 4.2Å
21R47.1Very low42Very low217 Ų217153.8 Ų153.882%0.81978%0.779SS**THydrogen-bonded Turntrans49.276.6167.1-62.2178.1-178.3157.31.3116T23R21-T23 PolarHBondContact O-N 3.44Å; R21-T23 PolarHBondContact O-OG1 3.35Å; R21-T23 VanDerWaalsContact O-OG1 3.08Å
22D48.9Very low41.8Very low182 Ų182149.9 Ų149.997%0.97377%0.771SS**THydrogen-bonded Turntrans50.311.2159.6-55-30.2000118.4
23T39.4Very low41.5Very low100 Ų100150 Ų15061%0.61377%0.768SS**  trans-119.5108.4179.2-47.60000107.5R21 I25R21-T23 PolarHBondContact O-N 3.44Å; R21-T23 PolarHBondContact O-OG1 3.35Å; R21-T23 VanDerWaalsContact O-OG1 3.08Å; T23-I25 VanDerWaalsContact C-N 3.28Å; T23-I25 HydrophobicContact CG2-CG1 3.96Å; T23-I25 PolarHBondContact O-N 3.45Å
24C35.5Very low40.9Very low116 Ų116149 Ų14978%0.78477%0.765SS**  trans-76.582.9177.9-1580000109.6F26C24-F26 PolarHBondContact O-N 3.18Å
25I41.6Very low41Very low126 Ų126148.9 Ų148.965%0.64676%0.759SS**  trans-76.9102.2173.5-57.5-180000107.7T23 V27T23-I25 VanDerWaalsContact C-N 3.28Å; T23-I25 HydrophobicContact CG2-CG1 3.96Å; T23-I25 PolarHBondContact O-N 3.45Å; I25-V27 VanDerWaalsContact C-N 3.28Å; I25-V27 HydrophobicContact CG2-CG2 3.88Å; I25-V27 PolarHBondContact O-N 3.08Å
26F41.1Very low40.5Very low151 Ų151151.8 Ų151.866%0.66276%0.76SS**  trans-6693.2160.6-90.3-94.9000108.5C24 Y28C24-F26 PolarHBondContact O-N 3.18Å; F26-Y28 HydrophobicContact CB-CD2 4.01Å; F26-Y28 HydrophobicContact CB-CE2 3.7Å; F26-Y28 HydrophobicContact CD1-CE2 4.37Å; F26-Y28 HydrophobicContact CG-CE2 4.32Å; F26-Y28 PolarHBondContact O-N 2.92Å
27V40.3Very low40.5Very low110 Ų110145.6 Ų145.667%0.66774%0.739SS**  trans-70.290166.1-175.20000106.8I25 F29I25-V27 VanDerWaalsContact C-N 3.28Å; I25-V27 HydrophobicContact CG2-CG2 3.88Å; I25-V27 PolarHBondContact O-N 3.08Å; V27-F29 HydrophobicContact CG1-CD2 4.33Å; V27-F29 PolarHBondContact O-N 2.65Å
28Y36Very low40.9Very low187 Ų187143.6 Ų143.673%0.73372%0.722SS**  trans-66.788.3166-76.8-83.8000108.2F26 V30F26-Y28 HydrophobicContact CB-CD2 4.01Å; F26-Y28 HydrophobicContact CB-CE2 3.7Å; F26-Y28 HydrophobicContact CD1-CE2 4.37Å; F26-Y28 HydrophobicContact CG-CE2 4.32Å; F26-Y28 PolarHBondContact O-N 2.92Å; Y28-V30 PolarHBondContact O-N 2.76Å
29F35.3Very low41.6Very low177 Ų177142 Ų14278%0.77671%0.709SS**  trans-66.486161.2-133.7-90.2000106.6V27 H31V27-F29 HydrophobicContact CG1-CD2 4.33Å; V27-F29 PolarHBondContact O-N 2.65Å; F29-H31 PolarHBondContact O-N 3.32Å
30V39.4Very low43.5Very low129 Ų129136.1 Ų136.178%0.78270%0.7SS**  trans-58.1111171.5177.70000105.7Y28 S32Y28-V30 PolarHBondContact O-N 2.76Å; V30-S32 PolarHBondContact O-N 3.29Å
31H34.4Very low45.4Very low161 Ų161135 Ų13575%0.74569%0.687SS**  trans-54.5114.6179.4-110.351.2000108.1F29 E33F29-H31 PolarHBondContact O-N 3.32Å; H31-E33 PolarHBondContact O-N 2.92Å
32S33.9Very low47.6Very low106 Ų106126 Ų12674%0.74166%0.657SS**  trans-66.586.8161.3174.30000106.1V30 M34V30-S32 PolarHBondContact O-N 3.29Å; S32-M34 PolarHBondContact O-N 2.83Å
33E34.7Very low49.9Very low165 Ų165121.2 Ų121.277%0.77163%0.631SS**  trans-59.696.1163.2-83.3-161.5138.700107.2H31 L35H31-E33 PolarHBondContact O-N 2.92Å; E33-L35 PolarHBondContact O-N 2.78Å
34M31Very low52.6Low158 Ų158116.4 Ų116.478%0.77860%0.602SS**  trans-70.869175.7-167.1173.580.700107.6S32 E36S32-M34 PolarHBondContact O-N 2.83Å; M34-E36 VanDerWaalsContact C-N 3.33Å; M34-E36 PolarHBondContact O-N 2.74Å
35L41.3Very low55.4Low140 Ų140112.4 Ų112.473%0.73357%0.572SS**  trans-58.3105.4160-75.2174.6000105.8E33 A37E33-L35 PolarHBondContact O-N 2.78Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 2.79Å
36E40.8Very low58Low171 Ų171106.4 Ų106.480%0.79954%0.541SS*.  trans-49.2101169.3-65.5178.8146.200107.7M34 D38M34-E36 VanDerWaalsContact C-N 3.33Å; M34-E36 PolarHBondContact O-N 2.74Å; E36-D38 PolarHBondContact O-N 3.17Å
37A49.9Very low60.5Low45 Ų45101 Ų10137%0.37252%0.519SS..  trans-69.3120.3169.200000105L35 D39L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 2.79Å; A37-D39 PolarHBondContact O-N 2.77Å
38D55.4Low63Low79 Ų79101.3 Ų101.342%0.42251%0.509SS..  trans-5990.7159.5-71.4-7.1000106.3E36 T40 R41E36-D38 PolarHBondContact O-N 3.17Å; D38-T40 PolarHBondContact O-N 2.86Å; D38-R41 HydrophobicContact CB-CG 3.65Å; D38-R41 PolarHBondContact O-N 2.97Å; D38-R41 IonicContact OD1-NH2 3.74Å; D38-R41 IonicContact OD2-CZ 3.28Å; D38-R41 IonicContact OD2-NE 2.76Å; D38-R41 PolarHBondContact OD2-NE 2.86Å; D38-R41 IonicContact OD2-NH2 2.65Å; D38-R41 PolarHBondContact OD2-NH2 2.83Å
39D61.2Low65.8Low98 Ų9892.4 Ų92.452%0.52447%0.474SS..THydrogen-bonded Turntrans-66.513.3179.6-89.5-13.2000112.5A37 P93 Q97A37-D39 PolarHBondContact O-N 2.77Å; D39-P93 WeakPolarHBondContact O-CB 3.34Å; D39-P93 VanDerWaalsContact O-CG 3.27Å; D39-P93 WeakPolarHBondContact O-CG 3.32Å; D39-Q97 PolarHBondContact OD1-NE2 3.11Å
40T81Confident68.5Low116 Ų11684.2 Ų84.271%0.71244%0.439SS*.THydrogen-bonded Turntrans-108-7.9172.259.10000112.8D38 T42D38-T40 PolarHBondContact O-N 2.86Å; T40-T42 PolarHBondContact O-N 2.95Å
41R86.2Confident70.9Confident101 Ų10183.8 Ų83.838%0.38143%0.428SS..  trans-76.5114.3-179.8-72.1178.5-166.1156.210.4111.4D38 Y117D38-R41 HydrophobicContact CB-CG 3.65Å; D38-R41 PolarHBondContact O-N 2.97Å; D38-R41 IonicContact OD1-NH2 3.74Å; D38-R41 IonicContact OD2-CZ 3.28Å; D38-R41 IonicContact OD2-NE 2.76Å; D38-R41 PolarHBondContact OD2-NE 2.86Å; D38-R41 IonicContact OD2-NH2 2.65Å; D38-R41 PolarHBondContact OD2-NH2 2.83Å; R41-Y117 HydrophobicContact CB-CD1 3.52Å; R41-Y117 HydrophobicContact CB-CE1 3.77Å; R41-Y117 HydrophobicContact CB-CG 4.25Å; R41-Y117 HydrophobicContact CG-CD1 4.49Å; R41-Y117 WeakPolarHBondContact O-CE1 3.45Å
42T93.3Very high73.6Confident28 Ų2881.1 Ų81.117%0.17242%0.423CS..  trans-94.6-21.3174.553.80000114.3T40 N89 Y90 P93T40-T42 PolarHBondContact O-N 2.95Å; T42-N89 WeakPolarHBondContact CB-OD1 3.44Å; T42-N89 PolarHBondContact OG1-OD1 3.43Å; T42-Y90 WeakPolarHBondContact CB-O 3.24Å; T42-Y90 WeakPolarHBondContact CG2-O 3.27Å; T42-Y90 PolarHBondContact O-N 2.92Å; T42-Y90 VanDerWaalsContact O-N 3.16Å; T42-P93 HydrophobicContact CG2-CB 4.32Å
43N95.3Very high76.3Confident81 Ų8176.2 Ų76.243%0.43339%0.389SS..EExtended strand (participates in β ladder)trans-87124.2-172.6-78.2-82.5000111.8N89 A118N43-N89 PolarHBondContact ND2-OD1 2.72Å; N43-N89 WeakPolarHBondContact OD1-CB 3.09Å; N43-N89 PolarHBondContact OD1-OD1 3.08Å; N43-A118 HydrophobicContact CB-CB 4.07Å; N43-A118 PolarHBondContact O-N 2.91Å
44L96.2Very high79.1Confident0 Ų069.5 Ų69.50%036%0.364CS..EExtended strand (participates in β ladder)trans-116.9147.4178.3-55.8-173.2000111.9F87 V88 Y90 A96 A99 V100 V115 S116 Y117L44-F87 VanDerWaalsContact O-CA 3.3Å; L44-F87 WeakPolarHBondContact O-CA 3.42Å; L44-V88 PolarHBondContact N-O 2.82Å; L44-V88 PolarHBondContact O-N 3.21Å; L44-Y90 HydrophobicContact CD1-CD2 4.17Å; L44-Y90 HydrophobicContact CD1-CE2 3.8Å; L44-A96 HydrophobicContact CD1-CB 4.4Å; L44-A96 HydrophobicContact CD2-CB 4.13Å; L44-A96 HydrophobicContact CG-CB 4.25Å; L44-A99 HydrophobicContact CD1-CB 3.79Å; L44-V100 HydrophobicContact CD1-CG2 4.09Å; L44-V100 HydrophobicContact CD2-CG2 3.54Å; L44-V100 HydrophobicContact CG-CG2 4.48Å; L44-V115 HydrophobicContact CD1-CG1 3.87Å; L44-S116 WeakPolarHBondContact CA-O 3.45Å; L44-Y117 HydrophobicContact CD2-CD1 3.52Å; L44-Y117 HydrophobicContact CD2-CE1 3.81Å; L44-Y117 HydrophobicContact CD2-CG 4.22Å
45I95.2Very high82.1Confident31 Ų3165.5 Ų65.516%0.15934%0.343CS..EExtended strand (participates in β ladder)trans-110.3133.8164.3-172176.1000109.3Y85 F87 S116 A118I45-Y85 HydrophobicContact CD1-CD2 4.4Å; I45-F87 HydrophobicContact CB-CD1 4.02Å; I45-F87 HydrophobicContact CB-CE1 3.9Å; I45-F87 HydrophobicContact CD1-CE1 3.81Å; I45-F87 HydrophobicContact CD1-CZ 4.02Å; I45-F87 HydrophobicContact CG1-CD1 4.13Å; I45-F87 HydrophobicContact CG1-CE1 3.77Å; I45-F87 HydrophobicContact CG1-CZ 4.29Å; I45-S116 WeakPolarHBondContact CG2-OG 3.43Å; I45-S116 PolarHBondContact N-O 3.45Å; I45-S116 PolarHBondContact O-N 3.23Å; I45-S116 VanDerWaalsContact O-N 3.14Å; I45-A118 HydrophobicContact CB-CB 4.25Å
46V96.2Very high84.7Confident0 Ų064.8 Ų64.80%034%0.336CS..EExtended strand (participates in β ladder)trans-116.1115.8-179.8-171.50000108.1L49 F58 F62 Y85 G86 V88 I113 K114 V115V46-L49 HydrophobicContact CG1-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD2 3.56Å; V46-L49 HydrophobicContact CG1-CG 4.09Å; V46-F58 HydrophobicContact CB-CE2 3.84Å; V46-F58 HydrophobicContact CB-CZ 4.01Å; V46-F58 HydrophobicContact CG1-CE2 4.04Å; V46-F58 HydrophobicContact CG2-CE2 3.85Å; V46-F58 HydrophobicContact CG2-CZ 3.9Å; V46-F62 HydrophobicContact CB-CZ 4.19Å; V46-F62 HydrophobicContact CG1-CE2 4.13Å; V46-F62 HydrophobicContact CG1-CZ 3.79Å; V46-F62 HydrophobicContact CG2-CE1 3.68Å; V46-F62 HydrophobicContact CG2-CE2 3.94Å; V46-F62 HydrophobicContact CG2-CZ 3.33Å; V46-Y85 CarbonylContact O-C 3.54Å; V46-Y85 WeakPolarHBondContact O-CA 3.32Å; V46-Y85 VanDerWaalsContact O-CB 3.28Å; V46-Y85 WeakPolarHBondContact O-CB 3.48Å; V46-G86 PolarHBondContact N-O 3.04Å; V46-G86 PolarHBondContact O-N 3.39Å; V46-V88 HydrophobicContact CG2-CG2 4.31Å; V46-I113 HydrophobicContact CG1-CB 4.41Å; V46-I113 HydrophobicContact CG1-CD1 4.33Å; V46-K114 WeakPolarHBondContact CA-O 3.29Å; V46-V115 HydrophobicContact CG1-CG2 4.14Å; V46-V115 HydrophobicContact CG2-CG2 4.42Å
47N94.2Very high87.3Confident38 Ų3861.8 Ų61.820%0.20332%0.322CS..EExtended strand (participates in β ladder)trans-109.6161.9-177.2-62.5-88.7000111.1L49 I113 K114N47-L49 VanDerWaalsContact C-N 3.31Å; N47-L49 PolarHBondContact O-N 3.23Å; N47-I113 WeakPolarHBondContact O-CA 3.31Å; N47-K114 HydrophobicContact CB-CB 4.39Å; N47-K114 PolarHBondContact N-O 3.29Å; N47-K114 PolarHBondContact O-N 3.31Å
48Y92.7Very high89.4Confident117 Ų11759.7 Ų59.746%0.45931%0.305SS..SBendtrans64.529.4178.9-44.8-63.2000114.5G84 K111 T112 K114Y48-G84 PolarHBondContact N-O 2.9Å; Y48-G84 VanDerWaalsContact N-O 3.1Å; Y48-K111 WeakPolarHBondContact O-CB 3.49Å; Y48-K111 WeakPolarHBondContact O-CD 3.42Å; Y48-T112 WeakPolarHBondContact CB-O 3.42Å; Y48-K114 HydrophobicContact CD2-CB 3.78Å; Y48-K114 HydrophobicContact CE2-CB 3.83Å
49L93.9Very high91.4Very high0 Ų061.1 Ų61.10%030%0.304CS..  trans-62.9145.4170.7-60.6177.2000110.9V46 N47 M53 F58 L73 G84 K111 I113V46-L49 HydrophobicContact CG1-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD2 3.56Å; V46-L49 HydrophobicContact CG1-CG 4.09Å; N47-L49 VanDerWaalsContact C-N 3.31Å; N47-L49 PolarHBondContact O-N 3.23Å; L49-M53 HydrophobicContact CB-SD 4.25Å; L49-M53 HydrophobicContact CD2-CE 4.11Å; L49-M53 HydrophobicContact CD2-SD 3.84Å; L49-M53 HydrophobicContact CG-SD 4.48Å; L49-F58 HydrophobicContact CD1-CD2 3.81Å; L49-F58 HydrophobicContact CD1-CE2 3.7Å; L49-F58 HydrophobicContact CD1-CG 4.37Å; L49-F58 HydrophobicContact CD1-CZ 4.17Å; L49-F58 HydrophobicContact CD2-CD2 4.29Å; L49-F58 HydrophobicContact CD2-CE2 4.27Å; L49-L73 HydrophobicContact CD1-CD1 3.52Å; L49-G84 PolarHBondContact N-O 3.41Å; L49-G84 WeakPolarHBondContact O-CA 3.47Å; L49-K111 PolarHBondContact O-NZ 3.14Å; L49-I113 HydrophobicContact CD2-CG2 3.93Å
50P91.8Very high93Very high4 Ų458.8 Ų58.83%0.02630%0.298CS..  trans-55.4145.2165.3-26.335.4000112.3T52 M53 L108 Q109P50-T52 VanDerWaalsContact C-N 3.29Å; P50-M53 HydrophobicContact CB-CB 4.24Å; P50-M53 VanDerWaalsContact O-CB 3.31Å; P50-M53 WeakPolarHBondContact O-CB 3.42Å; P50-M53 PolarHBondContact O-N 3.24Å; P50-L108 HydrophobicContact CG-CB 3.96Å; P50-Q109 HydrophobicContact CG-CB 4.42Å; P50-Q109 HydrophobicContact CG-CG 4.23Å
51Q90.2Very high93.6Very high121 Ų12154.5 Ų54.557%0.56527%0.271SS*.THydrogen-bonded Turntrans-73.9-24177.5-74.3-176-21.800112.6M53 S82Q51-M53 PolarHBondContact O-N 2.99Å; Q51-S82 WeakPolarHBondContact O-CB 3.46Å
52T91.5Very high94.1Very high104 Ų10449.7 Ų49.764%0.63825%0.253SS*.THydrogen-bonded Turntrans-70.3-16.9174.459.20000113.2P50 Q109P50-T52 VanDerWaalsContact C-N 3.29Å; T52-Q109 PolarHBondContact OG1-NE2 2.76Å
53M91.3Very high94.2Very high4 Ų450.7 Ų50.72%0.0226%0.264CS..  trans-68.9132.8-168.8-169165.416900112.1L49 P50 Q51 E57 F58 L61 L73 R75 L108L49-M53 HydrophobicContact CB-SD 4.25Å; L49-M53 HydrophobicContact CD2-CE 4.11Å; L49-M53 HydrophobicContact CD2-SD 3.84Å; L49-M53 HydrophobicContact CG-SD 4.48Å; P50-M53 HydrophobicContact CB-CB 4.24Å; P50-M53 VanDerWaalsContact O-CB 3.31Å; P50-M53 WeakPolarHBondContact O-CB 3.42Å; P50-M53 PolarHBondContact O-N 3.24Å; Q51-M53 PolarHBondContact O-N 2.99Å; M53-E57 VanDerWaalsContact CA-OE2 3.3Å; M53-E57 WeakPolarHBondContact CA-OE2 3.4Å; M53-E57 HydrophobicContact CG-CB 4.45Å; M53-E57 HydrophobicContact CG-CG 4.19Å; M53-E57 WeakPolarHBondContact CG-OE2 3.37Å; M53-F58 HydrophobicContact CE-CB 3.84Å; M53-F58 HydrophobicContact CE-CD2 3.84Å; M53-F58 HydrophobicContact CE-CG 4.32Å; M53-L61 HydrophobicContact CE-CD2 4Å; M53-L73 VanDerWaalsContact O-CD2 3.24Å; M53-L73 WeakPolarHBondContact O-CD2 3.22Å; M53-R75 PolarHBondContact O-NH2 2.79Å; M53-L108 HydrophobicContact CE-CD1 4.19Å; M53-L108 HydrophobicContact SD-CD1 4.04Å
54G93.4Very high94.1Very high24 Ų2456.8 Ų56.825%0.24728%0.281CS..  trans-77.4159.9-179.400000113.7E56 E57 F58G54-E56 VanDerWaalsContact C-N 3.32Å; G54-E57 PolarHBondContact N-OE2 3.47Å; G54-F58 VanDerWaalsContact O-CB 3.25Å; G54-F58 WeakPolarHBondContact O-CB 3.39Å; G54-F58 PolarHBondContact O-N 2.96Å
55Q94Very high94Very high73 Ų7358.2 Ų58.234%0.34129%0.288SS..Hα-helixtrans-62.1-42.6167.1168.866.731.600110.6F58 R59 C71 L73Q55-F58 PolarHBondContact O-N 3.07Å; Q55-R59 PolarHBondContact O-N 2.98Å; Q55-C71 PolarHBondContact NE2-O 2.72Å; Q55-L73 VanDerWaalsContact OE1-CB 3.26Å
56E94.9Very high93.9Very high125 Ų12557.5 Ų57.558%0.58429%0.289SS*.Hα-helixtrans-70.2-42.5-179.5-165.656-143.200111.8G54 F58 R59 A60G54-E56 VanDerWaalsContact C-N 3.32Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.29Å; E56-R59 PolarHBondContact O-N 2.92Å; E56-A60 VanDerWaalsContact O-CB 3.26Å; E56-A60 WeakPolarHBondContact O-CB 3.44Å; E56-A60 PolarHBondContact O-N 3.02Å
57E94.6Very high93.9Very high109 Ų10963.8 Ų63.851%0.50932%0.318SS..Hα-helixtrans-59.2-42.6173.2-175.5-176.1-168.300111.9M53 G54 A60 L61M53-E57 VanDerWaalsContact CA-OE2 3.3Å; M53-E57 WeakPolarHBondContact CA-OE2 3.4Å; M53-E57 HydrophobicContact CG-CB 4.45Å; M53-E57 HydrophobicContact CG-CG 4.19Å; M53-E57 WeakPolarHBondContact CG-OE2 3.37Å; G54-E57 PolarHBondContact N-OE2 3.47Å; E57-A60 PolarHBondContact O-N 3.42Å; E57-L61 WeakPolarHBondContact O-CB 3.4Å; E57-L61 PolarHBondContact O-N 3.33Å
58F95.4Very high94Very high0 Ų062.9 Ų62.90%031%0.313CS..Hα-helixtrans-63.3-44.6174.4-179.8-128000112.5V46 L49 M53 G54 Q55 E56 F62 C71 L73 V88V46-F58 HydrophobicContact CB-CE2 3.84Å; V46-F58 HydrophobicContact CB-CZ 4.01Å; V46-F58 HydrophobicContact CG1-CE2 4.04Å; V46-F58 HydrophobicContact CG2-CE2 3.85Å; V46-F58 HydrophobicContact CG2-CZ 3.9Å; L49-F58 HydrophobicContact CD1-CD2 3.81Å; L49-F58 HydrophobicContact CD1-CE2 3.7Å; L49-F58 HydrophobicContact CD1-CG 4.37Å; L49-F58 HydrophobicContact CD1-CZ 4.17Å; L49-F58 HydrophobicContact CD2-CD2 4.29Å; L49-F58 HydrophobicContact CD2-CE2 4.27Å; M53-F58 HydrophobicContact CE-CB 3.84Å; M53-F58 HydrophobicContact CE-CD2 3.84Å; M53-F58 HydrophobicContact CE-CG 4.32Å; G54-F58 VanDerWaalsContact O-CB 3.25Å; G54-F58 WeakPolarHBondContact O-CB 3.39Å; G54-F58 PolarHBondContact O-N 2.96Å; Q55-F58 PolarHBondContact O-N 3.07Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.29Å; F58-F62 AromaticContact CD2-CD2 3.98Å; F58-F62 HydrophobicContact CD2-CD2 3.98Å; F58-F62 AromaticContact CD2-CE2 3.95Å; F58-F62 HydrophobicContact CD2-CE2 3.95Å; F58-F62 AromaticContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CD2 3.8Å; F58-F62 AromaticContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CZ 4.36Å; F58-F62 WeakPolarHBondContact O-CD2 3.36Å; F58-F62 PolarHBondContact O-N 2.76Å; F58-C71 WeakPolarHBondContact CD1-SG 3.34Å; F58-C71 WeakPolarHBondContact CE1-SG 3.38Å; F58-L73 HydrophobicContact CD1-CB 3.94Å; F58-L73 HydrophobicContact CD1-CD1 4.49Å; F58-V88 HydrophobicContact CE1-CG2 4Å; F58-V88 HydrophobicContact CE2-CG2 4.19Å; F58-V88 HydrophobicContact CZ-CG2 3.56Å
59R96.5Very high94.2Very high110 Ų11064 Ų6442%0.41532%0.322SS..Hα-helixtrans-63.5-46.7175.2-172.7174.1-178-95.9-4.9111.6Q55 E56 L61 F62 A63 I68 C71Q55-R59 PolarHBondContact O-N 2.98Å; E56-R59 PolarHBondContact O-N 2.92Å; R59-L61 VanDerWaalsContact C-N 3.32Å; R59-L61 PolarHBondContact O-N 3.46Å; R59-F62 PolarHBondContact O-N 3.3Å; R59-A63 VanDerWaalsContact O-CB 3.23Å; R59-A63 WeakPolarHBondContact O-CB 3.17Å; R59-A63 PolarHBondContact O-N 2.69Å; R59-I68 HydrophobicContact CG-CD1 4.29Å; R59-C71 HydrophobicContact CB-CB 4.43Å; R59-C71 HydrophobicContact CG-CB 4.25Å
60A95.6Very high94.2Very high48 Ų4867.1 Ų67.140%0.39734%0.344SS..Hα-helixtrans-62.9-35.2-179.200000113E56 E57 R64E56-A60 VanDerWaalsContact O-CB 3.26Å; E56-A60 WeakPolarHBondContact O-CB 3.44Å; E56-A60 PolarHBondContact O-N 3.02Å; E57-A60 PolarHBondContact O-N 3.42Å; A60-R64 WeakPolarHBondContact O-CG 3.37Å
61L94.3Very high94.4Very high27 Ų2767.8 Ų67.814%0.14135%0.349CS..Hα-helixtrans-62.7-46.4175.5179.362.2000111.9M53 E57 R59 L103 L106 L108 I113M53-L61 HydrophobicContact CE-CD2 4Å; E57-L61 WeakPolarHBondContact O-CB 3.4Å; E57-L61 PolarHBondContact O-N 3.33Å; R59-L61 VanDerWaalsContact C-N 3.32Å; R59-L61 PolarHBondContact O-N 3.46Å; L61-L103 HydrophobicContact CD1-CD2 4.47Å; L61-L106 HydrophobicContact CD1-CD2 4.07Å; L61-L106 HydrophobicContact CD2-CD2 4.25Å; L61-L108 HydrophobicContact CD2-CD1 3.9Å; L61-I113 HydrophobicContact CD2-CD1 4.46Å
62F95.3Very high94.7Very high0 Ų068.5 Ų68.50%035%0.35CS..Hα-helixtrans-81.3-28.5-177-79.2-97.9000112.9V46 F58 R59 R64 I65 I68 V88 Y90 A99 L103 I113 V115V46-F62 HydrophobicContact CB-CZ 4.19Å; V46-F62 HydrophobicContact CG1-CE2 4.13Å; V46-F62 HydrophobicContact CG1-CZ 3.79Å; V46-F62 HydrophobicContact CG2-CE1 3.68Å; V46-F62 HydrophobicContact CG2-CE2 3.94Å; V46-F62 HydrophobicContact CG2-CZ 3.33Å; F58-F62 AromaticContact CD2-CD2 3.98Å; F58-F62 HydrophobicContact CD2-CD2 3.98Å; F58-F62 AromaticContact CD2-CE2 3.95Å; F58-F62 HydrophobicContact CD2-CE2 3.95Å; F58-F62 AromaticContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CD2 3.8Å; F58-F62 AromaticContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CZ 4.36Å; F58-F62 WeakPolarHBondContact O-CD2 3.36Å; F58-F62 PolarHBondContact O-N 2.76Å; R59-F62 PolarHBondContact O-N 3.3Å; F62-R64 PolarHBondContact O-N 2.86Å; F62-I65 PolarHBondContact O-N 2.92Å; F62-I65 VanDerWaalsContact O-N 3.1Å; F62-I68 HydrophobicContact CB-CD1 3.73Å; F62-V88 HydrophobicContact CB-CG1 4.12Å; F62-V88 HydrophobicContact CB-CG2 4.19Å; F62-V88 HydrophobicContact CD1-CB 4.34Å; F62-V88 HydrophobicContact CD1-CG1 4.29Å; F62-V88 HydrophobicContact CD1-CG2 3.93Å; F62-V88 HydrophobicContact CD2-CG2 4.25Å; F62-V88 HydrophobicContact CE1-CG2 4.47Å; F62-V88 HydrophobicContact CG-CG1 4.41Å; F62-V88 HydrophobicContact CG-CG2 3.83Å; F62-Y90 WeakPolarHBondContact CB-OH 3.28Å; F62-Y90 HydrophobicContact CD1-CE2 4.4Å; F62-Y90 WeakPolarHBondContact CD1-OH 3.4Å; F62-Y90 PolarHBondContact O-OH 2.87Å; F62-A99 HydrophobicContact CD1-CB 4.5Å; F62-L103 HydrophobicContact CD1-CD1 3.67Å; F62-L103 HydrophobicContact CD2-CD1 4.36Å; F62-L103 HydrophobicContact CE1-CB 4.48Å; F62-L103 HydrophobicContact CE1-CD1 3.56Å; F62-L103 HydrophobicContact CE2-CD1 4.27Å; F62-L103 HydrophobicContact CG-CD1 4.06Å; F62-L103 HydrophobicContact CZ-CB 4.46Å; F62-L103 HydrophobicContact CZ-CD1 3.86Å; F62-I113 HydrophobicContact CZ-CD1 4.49Å; F62-V115 HydrophobicContact CE1-CG1 4.08Å; F62-V115 HydrophobicContact CE1-CG2 4.14Å; F62-V115 HydrophobicContact CZ-CG2 3.84Å
63A95.7Very high94.9Very high49 Ų4963.9 Ų63.941%0.40532%0.322SS..Hα-helixtrans-65.7-15.3176.800000113.3R59 I65 I68R59-A63 VanDerWaalsContact O-CB 3.23Å; R59-A63 WeakPolarHBondContact O-CB 3.17Å; R59-A63 PolarHBondContact O-N 2.69Å; A63-I65 PolarHBondContact O-N 2.79Å; A63-I68 HydrophobicContact CB-CD1 4.04Å
64R94.4Very high95Very high209 Ų20964.9 Ų64.979%0.78933%0.328SS*.THydrogen-bonded Turntrans-69.6-17.6172.2-72.6171.6175.1-175.1-2.3113.9A60 F62A60-R64 WeakPolarHBondContact O-CG 3.37Å; F62-R64 PolarHBondContact O-N 2.86Å
65I93.9Very high95Very high29 Ų2968.5 Ų68.515%0.14933%0.334CS..THydrogen-bonded Turntrans-95.4-31.5-177.3-55-62.3000112.3F62 A63 D95 R98 A99 T102 L103F62-I65 PolarHBondContact O-N 2.92Å; F62-I65 VanDerWaalsContact O-N 3.1Å; A63-I65 PolarHBondContact O-N 2.79Å; I65-D95 WeakPolarHBondContact CG2-O 3.3Å; I65-R98 HydrophobicContact CG2-CB 3.66Å; I65-R98 PolarHBondContact O-NH2 3.22Å; I65-A99 HydrophobicContact CB-CB 4.34Å; I65-A99 HydrophobicContact CG1-CB 4.31Å; I65-A99 HydrophobicContact CG2-CB 3.95Å; I65-T102 HydrophobicContact CD1-CG2 4.07Å; I65-L103 HydrophobicContact CD1-CD1 4.34Å; I65-L103 HydrophobicContact CD1-CD2 4.4Å; I65-L103 HydrophobicContact CD1-CG 4.24Å; I65-L103 HydrophobicContact CG1-CD1 3.74Å; I65-L103 HydrophobicContact CG1-CG 4.15Å
66G93.5Very high94.9Very high17 Ų1766.9 Ų66.918%0.17533%0.328CS..SBendtrans173-177-171.100000113D95G66-D95 WeakPolarHBondContact CA-OD2 3.43Å
67E95.9Very high94.6Very high131 Ų13171 Ų7161%0.61234%0.343SS*.  trans-80.7125.3-172.3-175.5169.3-168.800111.9Y90 A91 D95E67-Y90 CarbonylContact O-C 3.58Å; E67-Y90 VanDerWaalsContact O-CA 3.31Å; E67-Y90 WeakPolarHBondContact O-CA 3.14Å; E67-Y90 VanDerWaalsContact O-CD1 3.3Å; E67-Y90 WeakPolarHBondContact O-CD1 3.02Å; E67-A91 HydrophobicContact CB-CB 4.15Å; E67-A91 HydrophobicContact CG-CB 4.18Å; E67-A91 PolarHBondContact O-N 2.95Å; E67-D95 PolarHBondContact N-OD2 3.27Å
68I96.3Very high94.4Very high20 Ų2071.7 Ų71.710%0.10336%0.355CS..EExtended strand (participates in β ladder)trans-97.4114.2-177.5-65.3-179.9000110.1R59 F62 A63 S70 C71 V88 Y90R59-I68 HydrophobicContact CG-CD1 4.29Å; F62-I68 HydrophobicContact CB-CD1 3.73Å; A63-I68 HydrophobicContact CB-CD1 4.04Å; I68-S70 VanDerWaalsContact CG2-C 3.43Å; I68-S70 WeakPolarHBondContact CG2-O 3.2Å; I68-C71 HydrophobicContact CG2-CB 3.72Å; I68-V88 HydrophobicContact CD1-CG1 3.99Å; I68-V88 HydrophobicContact CG1-CG1 4.04Å; I68-V88 HydrophobicContact CG2-CG1 4.32Å; I68-Y90 HydrophobicContact CG1-CD1 4.25Å; I68-Y90 HydrophobicContact CG1-CE1 3.95Å
69E95.8Very high94.1Very high139 Ų13974.9 Ų74.965%0.6538%0.378SS*.EExtended strand (participates in β ladder)trans-70.7-42.6168.9-166.7-160142.900110.9N89E69-N89 VanDerWaalsContact CD-ND2 3.25Å; E69-N89 PolarHBondContact N-O 3.29Å; E69-N89 PolarHBondContact OE2-ND2 2.94Å
70S95.1Very high93.8Very high66 Ų6671.4 Ų71.446%0.46238%0.376SS..EExtended strand (participates in β ladder)trans-148.2139.6178.2-160.60000112.6I68 V88 N89I68-S70 VanDerWaalsContact CG2-C 3.43Å; I68-S70 WeakPolarHBondContact CG2-O 3.2Å; S70-V88 CarbonylContact O-C 3.54Å; S70-V88 WeakPolarHBondContact O-CA 3.18Å; S70-N89 PolarHBondContact N-O 3.45Å; S70-N89 VanDerWaalsContact N-O 3.16Å; S70-N89 PolarHBondContact O-N 3.28Å
71C95.6Very high93.5Very high18 Ų1874.3 Ų74.312%0.12238%0.382CS..EExtended strand (participates in β ladder)trans-139.7129.4173.8171.20000110.2Q55 F58 R59 I68 F87Q55-C71 PolarHBondContact NE2-O 2.72Å; F58-C71 WeakPolarHBondContact CD1-SG 3.34Å; F58-C71 WeakPolarHBondContact CE1-SG 3.38Å; R59-C71 HydrophobicContact CB-CB 4.43Å; R59-C71 HydrophobicContact CG-CB 4.25Å; I68-C71 HydrophobicContact CG2-CB 3.72Å; C71-F87 WeakPolarHBondContact CA-O 3.38Å
72K95.9Very high93.3Very high136 Ų13673.1 Ų73.159%0.59138%0.375SS*.EExtended strand (participates in β ladder)trans-142.5106.3-175.8-174.4173.3-175.2170.60111.6G86 F87K72-G86 CarbonylContact O-C 3.59Å; K72-G86 WeakPolarHBondContact O-CA 3.28Å; K72-F87 PolarHBondContact N-O 3.25Å; K72-F87 PolarHBondContact O-N 3.35Å
73L96.2Very high93.1Very high8 Ų876.1 Ų76.14%0.04239%0.391CS..EExtended strand (participates in β ladder)trans-71.8124164.3-17865.3000109L49 M53 Q55 F58L49-L73 HydrophobicContact CD1-CD1 3.52Å; M53-L73 VanDerWaalsContact O-CD2 3.24Å; M53-L73 WeakPolarHBondContact O-CD2 3.22Å; Q55-L73 VanDerWaalsContact OE1-CB 3.26Å; F58-L73 HydrophobicContact CD1-CB 3.94Å; F58-L73 HydrophobicContact CD1-CD1 4.49Å
74V94.1Very high93Very high24 Ų2474.1 Ų74.115%0.14538%0.375CS..EExtended strand (participates in β ladder)trans-84.3127.1-178-168.80000110.2L83 Y85 F87V74-L83 HydrophobicContact CG1-CD1 3.84Å; V74-L83 HydrophobicContact CG1-CG 4.48Å; V74-L83 PolarHBondContact O-N 3.14Å; V74-Y85 HydrophobicContact CB-CD2 4.24Å; V74-Y85 HydrophobicContact CB-CE1 4.24Å; V74-Y85 HydrophobicContact CB-CE2 3.85Å; V74-Y85 HydrophobicContact CG1-CE1 4.38Å; V74-Y85 HydrophobicContact CG1-CE2 4.24Å; V74-Y85 HydrophobicContact CG2-CD2 3.9Å; V74-Y85 HydrophobicContact CG2-CE2 3.52Å; V74-Y85 PolarHBondContact N-O 3.24Å; V74-F87 HydrophobicContact CG2-CD2 3.91Å; V74-F87 HydrophobicContact CG2-CE2 3.85Å
75R93.2Very high93Very high101 Ų10167.7 Ų67.738%0.38135%0.352SS..EExtended strand (participates in β ladder)trans-117.5150.7178.1-69.7171.9176.4-83.5-8.3110.2M53 G80 Q81M53-R75 PolarHBondContact O-NH2 2.79Å; R75-G80 WeakPolarHBondContact CD-O 3.43Å; R75-G80 PolarHBondContact NH1-O 3.14Å; R75-Q81 CarbonylContact C-O 3.6Å; R75-Q81 WeakPolarHBondContact CA-O 3.33Å; R75-Q81 WeakPolarHBondContact CB-O 3.47Å
76D90Very high93.1Very high39 Ų3966.3 Ų66.321%0.20934%0.344CS..  trans-61.2133.8168.5173.935.1000109.7T78 S79 G80 Q81 L83D76-T78 PolarHBondContact O-N 3.16Å; D76-T78 PolarHBondContact OD1-N 2.84Å; D76-S79 WeakPolarHBondContact CB-OG 3.39Å; D76-S79 VanDerWaalsContact OD2-CB 3.3Å; D76-S79 WeakPolarHBondContact OD2-CB 3.49Å; D76-S79 PolarHBondContact OD2-N 2.69Å; D76-S79 PolarHBondContact OD2-OG 2.79Å; D76-G80 WeakPolarHBondContact O-CA 3.41Å; D76-G80 PolarHBondContact O-N 2.81Å; D76-Q81 PolarHBondContact N-O 2.81Å; D76-L83 HydrophobicContact CB-CD2 3.94Å
77K89.8Confident93.3Very high210 Ų21068.8 Ų68.891%0.91335%0.35SS*.THydrogen-bonded Turntrans-66.3-28.5-178.4-65.9-174.5178.9-175.90112.3
78T89.9Confident93.3Very high124 Ų12462.5 Ų62.576%0.76132%0.321SS*.THydrogen-bonded Turntrans-91.4-46.2-173.3-44.80000112.1D76D76-T78 PolarHBondContact O-N 3.16Å; D76-T78 PolarHBondContact OD1-N 2.84Å
79S90.1Very high93.3Very high67 Ų6762.3 Ų62.347%0.46932%0.32SS..THydrogen-bonded Turntrans-98-10.4-176.363.90000115.1D76 Q81D76-S79 WeakPolarHBondContact CB-OG 3.39Å; D76-S79 VanDerWaalsContact OD2-CB 3.3Å; D76-S79 WeakPolarHBondContact OD2-CB 3.49Å; D76-S79 PolarHBondContact OD2-N 2.69Å; D76-S79 PolarHBondContact OD2-OG 2.79Å; S79-Q81 PolarHBondContact O-N 3.22Å; S79-Q81 VanDerWaalsContact O-N 3.08Å
80G89.1Confident93.4Very high37 Ų3755.7 Ų55.738%0.38129%0.289SS..  trans68.1-0.8-174.100000114.9R75 D76R75-G80 WeakPolarHBondContact CD-O 3.43Å; R75-G80 PolarHBondContact NH1-O 3.14Å; D76-G80 WeakPolarHBondContact O-CA 3.41Å; D76-G80 PolarHBondContact O-N 2.81Å
81Q89Confident93.4Very high110 Ų11054.7 Ų54.751%0.51429%0.285SS..  trans-71.2144.5-177.9-66.1-62-19.700111.7R75 D76 S79 L83R75-Q81 CarbonylContact C-O 3.6Å; R75-Q81 WeakPolarHBondContact CA-O 3.33Å; R75-Q81 WeakPolarHBondContact CB-O 3.47Å; D76-Q81 PolarHBondContact N-O 2.81Å; S79-Q81 PolarHBondContact O-N 3.22Å; S79-Q81 VanDerWaalsContact O-N 3.08Å; Q81-L83 PolarHBondContact O-N 3.4Å
82S91.7Very high93.3Very high2 Ų258.3 Ų58.31%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-64.1129.8176.2177.80000110.7Q51 G84Q51-S82 WeakPolarHBondContact O-CB 3.46Å; S82-G84 PolarHBondContact O-N 3.31Å; S82-G84 PolarHBondContact OG-N 3.42Å
83L90.9Very high93.3Very high62 Ų6253.9 Ų53.933%0.32529%0.285SS..EExtended strand (participates in β ladder)trans-76-0.7172.2-62-173.6000112.5V74 D76 Q81 Y85 T210V74-L83 HydrophobicContact CG1-CD1 3.84Å; V74-L83 HydrophobicContact CG1-CG 4.48Å; V74-L83 PolarHBondContact O-N 3.14Å; D76-L83 HydrophobicContact CB-CD2 3.94Å; Q81-L83 PolarHBondContact O-N 3.4Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 HydrophobicContact CB-CD1 3.71Å; L83-Y85 HydrophobicContact CB-CE1 3.51Å; L83-Y85 HydrophobicContact CD1-CE1 3.75Å; L83-Y85 HydrophobicContact CG-CE1 4.29Å; L83-T210 HydrophobicContact CD2-CG2 4.5Å
84G92.5Very high93.2Very high7 Ų759.7 Ų59.77%0.07231%0.312CS..EExtended strand (participates in β ladder)trans74.920.6179.600000114Y48 L49 S82Y48-G84 PolarHBondContact N-O 2.9Å; Y48-G84 VanDerWaalsContact N-O 3.1Å; L49-G84 PolarHBondContact N-O 3.41Å; L49-G84 WeakPolarHBondContact O-CA 3.47Å; S82-G84 PolarHBondContact O-N 3.31Å; S82-G84 PolarHBondContact OG-N 3.42Å
85Y94.7Very high93.2Very high75 Ų7559.1 Ų59.129%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-145.6157.9170.373.6-84000111.7I45 V46 V74 L83 F87I45-Y85 HydrophobicContact CD1-CD2 4.4Å; V46-Y85 CarbonylContact O-C 3.54Å; V46-Y85 WeakPolarHBondContact O-CA 3.32Å; V46-Y85 VanDerWaalsContact O-CB 3.28Å; V46-Y85 WeakPolarHBondContact O-CB 3.48Å; V74-Y85 HydrophobicContact CB-CD2 4.24Å; V74-Y85 HydrophobicContact CB-CE1 4.24Å; V74-Y85 HydrophobicContact CB-CE2 3.85Å; V74-Y85 HydrophobicContact CG1-CE1 4.38Å; V74-Y85 HydrophobicContact CG1-CE2 4.24Å; V74-Y85 HydrophobicContact CG2-CD2 3.9Å; V74-Y85 HydrophobicContact CG2-CE2 3.52Å; V74-Y85 PolarHBondContact N-O 3.24Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 HydrophobicContact CB-CD1 3.71Å; L83-Y85 HydrophobicContact CB-CE1 3.51Å; L83-Y85 HydrophobicContact CD1-CE1 3.75Å; L83-Y85 HydrophobicContact CG-CE1 4.29Å; Y85-F87 HydrophobicContact CD2-CE2 4.21Å; Y85-F87 HydrophobicContact CD2-CZ 4.48Å; Y85-F87 AromaticContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CZ 4.17Å
86G96.5Very high93.3Very high0 Ų054.3 Ų54.30%029%0.29CS..EExtended strand (participates in β ladder)trans-150.1170.917900000112.4V46 K72V46-G86 PolarHBondContact N-O 3.04Å; V46-G86 PolarHBondContact O-N 3.39Å; K72-G86 CarbonylContact O-C 3.59Å; K72-G86 WeakPolarHBondContact O-CA 3.28Å
87F97Very high93.5Very high68 Ų6856.6 Ų56.630%0.29830%0.299SS..EExtended strand (participates in β ladder)trans-119.4143.5175.2-62.6-84.3000110.2L44 I45 C71 K72 V74 Y85 A118L44-F87 VanDerWaalsContact O-CA 3.3Å; L44-F87 WeakPolarHBondContact O-CA 3.42Å; I45-F87 HydrophobicContact CB-CD1 4.02Å; I45-F87 HydrophobicContact CB-CE1 3.9Å; I45-F87 HydrophobicContact CD1-CE1 3.81Å; I45-F87 HydrophobicContact CD1-CZ 4.02Å; I45-F87 HydrophobicContact CG1-CD1 4.13Å; I45-F87 HydrophobicContact CG1-CE1 3.77Å; I45-F87 HydrophobicContact CG1-CZ 4.29Å; C71-F87 WeakPolarHBondContact CA-O 3.38Å; K72-F87 PolarHBondContact N-O 3.25Å; K72-F87 PolarHBondContact O-N 3.35Å; V74-F87 HydrophobicContact CG2-CD2 3.91Å; V74-F87 HydrophobicContact CG2-CE2 3.85Å; Y85-F87 HydrophobicContact CD2-CE2 4.21Å; Y85-F87 HydrophobicContact CD2-CZ 4.48Å; Y85-F87 AromaticContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CZ 4.17Å; F87-A118 HydrophobicContact CD1-CB 4.18Å; F87-A118 HydrophobicContact CE1-CB 4.35Å
88V97.1Very high93.8Very high0 Ų052 Ų520%028%0.276CS..EExtended strand (participates in β ladder)trans-133.6125174.7-176.80000107.8L44 V46 F58 F62 I68 S70 Y90L44-V88 PolarHBondContact N-O 2.82Å; L44-V88 PolarHBondContact O-N 3.21Å; V46-V88 HydrophobicContact CG2-CG2 4.31Å; F58-V88 HydrophobicContact CE1-CG2 4Å; F58-V88 HydrophobicContact CE2-CG2 4.19Å; F58-V88 HydrophobicContact CZ-CG2 3.56Å; F62-V88 HydrophobicContact CB-CG1 4.12Å; F62-V88 HydrophobicContact CB-CG2 4.19Å; F62-V88 HydrophobicContact CD1-CB 4.34Å; F62-V88 HydrophobicContact CD1-CG1 4.29Å; F62-V88 HydrophobicContact CD1-CG2 3.93Å; F62-V88 HydrophobicContact CD2-CG2 4.25Å; F62-V88 HydrophobicContact CE1-CG2 4.47Å; F62-V88 HydrophobicContact CG-CG1 4.41Å; F62-V88 HydrophobicContact CG-CG2 3.83Å; I68-V88 HydrophobicContact CD1-CG1 3.99Å; I68-V88 HydrophobicContact CG1-CG1 4.04Å; I68-V88 HydrophobicContact CG2-CG1 4.32Å; S70-V88 CarbonylContact O-C 3.54Å; S70-V88 WeakPolarHBondContact O-CA 3.18Å; V88-Y90 HydrophobicContact CG1-CD2 4.08Å; V88-Y90 HydrophobicContact CG1-CE2 3.74Å
89N95.9Very high94Very high16 Ų1646 Ų469%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-109.6120.6171-172.729.8000107.8T42 N43 E69 S70T42-N89 WeakPolarHBondContact CB-OD1 3.44Å; T42-N89 PolarHBondContact OG1-OD1 3.43Å; N43-N89 PolarHBondContact ND2-OD1 2.72Å; N43-N89 WeakPolarHBondContact OD1-CB 3.09Å; N43-N89 PolarHBondContact OD1-OD1 3.08Å; E69-N89 VanDerWaalsContact CD-ND2 3.25Å; E69-N89 PolarHBondContact N-O 3.29Å; E69-N89 PolarHBondContact OE2-ND2 2.94Å; S70-N89 PolarHBondContact N-O 3.45Å; S70-N89 VanDerWaalsContact N-O 3.16Å; S70-N89 PolarHBondContact O-N 3.28Å
90Y96.7Very high94.2Very high0 Ų044.4 Ų44.40%023%0.227CC..EExtended strand (participates in β ladder)trans-88153.7174.7-76.9-82.4000111.3T42 L44 F62 E67 I68 V88 H92 D95 A96 A99T42-Y90 WeakPolarHBondContact CB-O 3.24Å; T42-Y90 WeakPolarHBondContact CG2-O 3.27Å; T42-Y90 PolarHBondContact O-N 2.92Å; T42-Y90 VanDerWaalsContact O-N 3.16Å; L44-Y90 HydrophobicContact CD1-CD2 4.17Å; L44-Y90 HydrophobicContact CD1-CE2 3.8Å; F62-Y90 WeakPolarHBondContact CB-OH 3.28Å; F62-Y90 HydrophobicContact CD1-CE2 4.4Å; F62-Y90 WeakPolarHBondContact CD1-OH 3.4Å; F62-Y90 PolarHBondContact O-OH 2.87Å; E67-Y90 CarbonylContact O-C 3.58Å; E67-Y90 VanDerWaalsContact O-CA 3.31Å; E67-Y90 WeakPolarHBondContact O-CA 3.14Å; E67-Y90 VanDerWaalsContact O-CD1 3.3Å; E67-Y90 WeakPolarHBondContact O-CD1 3.02Å; I68-Y90 HydrophobicContact CG1-CD1 4.25Å; I68-Y90 HydrophobicContact CG1-CE1 3.95Å; V88-Y90 HydrophobicContact CG1-CD2 4.08Å; V88-Y90 HydrophobicContact CG1-CE2 3.74Å; Y90-H92 VanDerWaalsContact C-N 3.31Å; Y90-H92 WeakPolarHBondContact CB-O 3.37Å; Y90-D95 HydrophobicContact CD1-CB 3.43Å; Y90-D95 VanDerWaalsContact CD1-CB 3.43Å; Y90-D95 HydrophobicContact CE1-CB 4.05Å; Y90-D95 HydrophobicContact CG-CB 3.74Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; Y90-A96 HydrophobicContact CG-CB 4.41Å; Y90-A99 HydrophobicContact CE2-CB 3.58Å; Y90-A99 WeakPolarHBondContact OH-CB 3.39Å
91A95.4Very high94.5Very high44 Ų4451.6 Ų51.636%0.36425%0.248SC..SBendtrans-67.9-33.3171.700000111.9E67E67-A91 HydrophobicContact CB-CB 4.15Å; E67-A91 HydrophobicContact CG-CB 4.18Å; E67-A91 PolarHBondContact O-N 2.95Å
92H94.4Very high94.7Very high94 Ų9450.5 Ų50.544%0.43525%0.248SC..SBendtrans-117.4140.6-178.8-49.297.2000111.2Y90 E94 D95 A96Y90-H92 VanDerWaalsContact C-N 3.31Å; Y90-H92 WeakPolarHBondContact CB-O 3.37Å; H92-E94 VanDerWaalsContact C-N 3.3Å; H92-E94 PolarHBondContact O-N 3.36Å; H92-D95 HydrophobicContact CB-CB 4.46Å; H92-D95 IonicContact CG-OD2 2.64Å; H92-D95 IonicContact ND1-OD2 3.11Å; H92-D95 PolarHBondContact ND1-OD2 2.64Å; H92-D95 WeakPolarHBondContact O-CB 3.3Å; H92-D95 PolarHBondContact O-N 3.4Å; H92-A96 PolarHBondContact O-N 2.8Å
93P94.6Very high94.8Very high43 Ų4351 Ų5128%0.27925%0.251SS..Hα-helixtrans-69.1-29.5177.628.5-34.5000112.4D39 T42 D95 A96 Q97D39-P93 WeakPolarHBondContact O-CB 3.34Å; D39-P93 VanDerWaalsContact O-CG 3.27Å; D39-P93 WeakPolarHBondContact O-CG 3.32Å; T42-P93 HydrophobicContact CG2-CB 4.32Å; P93-D95 VanDerWaalsContact C-N 3.31Å; P93-D95 PolarHBondContact O-N 2.85Å; P93-A96 WeakPolarHBondContact O-CB 3.31Å; P93-A96 PolarHBondContact O-N 2.92Å; P93-A96 VanDerWaalsContact O-N 3.14Å; P93-Q97 PolarHBondContact O-N 3.49Å
94E94.3Very high94.9Very high130 Ų13051.7 Ų51.761%0.60726%0.255SS*.Hα-helixtrans-56.4-44.8172.1-63.6-177-154.900111.5H92 A96 Q97 R98H92-E94 VanDerWaalsContact C-N 3.3Å; H92-E94 PolarHBondContact O-N 3.36Å; E94-A96 VanDerWaalsContact C-N 3.29Å; E94-A96 PolarHBondContact O-N 3.19Å; E94-Q97 PolarHBondContact O-N 2.64Å; E94-R98 WeakPolarHBondContact O-CB 3.31Å; E94-R98 VanDerWaalsContact O-CG 3.32Å; E94-R98 WeakPolarHBondContact O-CG 3.47Å; E94-R98 PolarHBondContact O-N 3.14Å
95D95.3Very high94.9Very high12 Ų1253.4 Ų53.46%0.06427%0.272CS..Hα-helixtrans-61.5-40.3177.6-64.1-16.9000110.9I65 G66 E67 Y90 H92 P93 R98 A99I65-D95 WeakPolarHBondContact CG2-O 3.3Å; G66-D95 WeakPolarHBondContact CA-OD2 3.43Å; E67-D95 PolarHBondContact N-OD2 3.27Å; Y90-D95 HydrophobicContact CD1-CB 3.43Å; Y90-D95 VanDerWaalsContact CD1-CB 3.43Å; Y90-D95 HydrophobicContact CE1-CB 4.05Å; Y90-D95 HydrophobicContact CG-CB 3.74Å; H92-D95 HydrophobicContact CB-CB 4.46Å; H92-D95 IonicContact CG-OD2 2.64Å; H92-D95 IonicContact ND1-OD2 3.11Å; H92-D95 PolarHBondContact ND1-OD2 2.64Å; H92-D95 WeakPolarHBondContact O-CB 3.3Å; H92-D95 PolarHBondContact O-N 3.4Å; P93-D95 VanDerWaalsContact C-N 3.31Å; P93-D95 PolarHBondContact O-N 2.85Å; D95-R98 PolarHBondContact O-N 3.4Å; D95-R98 IonicContact OD1-CZ 2.86Å; D95-R98 VanDerWaalsContact OD1-CZ 3.29Å; D95-R98 IonicContact OD1-NH1 2.79Å; D95-R98 IonicContact OD1-NH2 2.98Å; D95-R98 PolarHBondContact OD1-NH2 2.98Å; D95-A99 VanDerWaalsContact O-CB 3.29Å; D95-A99 WeakPolarHBondContact O-CB 3.36Å; D95-A99 PolarHBondContact O-N 3.06Å
96A94.9Very high94.8Very high0 Ų052.4 Ų52.40%027%0.272CS..Hα-helixtrans-66-43.2176.500000112.3L44 Y90 H92 P93 E94 A99 V100 Y117L44-A96 HydrophobicContact CD1-CB 4.4Å; L44-A96 HydrophobicContact CD2-CB 4.13Å; L44-A96 HydrophobicContact CG-CB 4.25Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; Y90-A96 HydrophobicContact CG-CB 4.41Å; H92-A96 PolarHBondContact O-N 2.8Å; P93-A96 WeakPolarHBondContact O-CB 3.31Å; P93-A96 PolarHBondContact O-N 2.92Å; P93-A96 VanDerWaalsContact O-N 3.14Å; E94-A96 VanDerWaalsContact C-N 3.29Å; E94-A96 PolarHBondContact O-N 3.19Å; A96-A99 PolarHBondContact O-N 2.92Å; A96-V100 WeakPolarHBondContact O-CG2 3.42Å; A96-V100 PolarHBondContact O-N 2.68Å; A96-Y117 HydrophobicContact CB-CE1 4.31Å
97Q94.4Very high94.6Very high88 Ų8856.8 Ų56.841%0.41130%0.3SS..Hα-helixtrans-63.9-44.7175.6-165-167.643.300111.3D39 P93 E94 A99 V100 K101 Y117D39-Q97 PolarHBondContact OD1-NE2 3.11Å; P93-Q97 PolarHBondContact O-N 3.49Å; E94-Q97 PolarHBondContact O-N 2.64Å; Q97-A99 VanDerWaalsContact C-N 3.3Å; Q97-A99 PolarHBondContact O-N 2.74Å; Q97-V100 PolarHBondContact O-N 2.8Å; Q97-K101 WeakPolarHBondContact O-CB 3.18Å; Q97-K101 PolarHBondContact O-N 3.13Å; Q97-Y117 WeakPolarHBondContact CA-OH 3.45Å
98R94.6Very high94.3Very high112 Ų11255.4 Ų55.442%0.42330%0.296SS..Hα-helixtrans-59.4-40173-69.8-163.5-49.1-114.36.6111.4I65 E94 D95 K101 T102I65-R98 HydrophobicContact CG2-CB 3.66Å; I65-R98 PolarHBondContact O-NH2 3.22Å; E94-R98 WeakPolarHBondContact O-CB 3.31Å; E94-R98 VanDerWaalsContact O-CG 3.32Å; E94-R98 WeakPolarHBondContact O-CG 3.47Å; E94-R98 PolarHBondContact O-N 3.14Å; D95-R98 PolarHBondContact O-N 3.4Å; D95-R98 IonicContact OD1-CZ 2.86Å; D95-R98 VanDerWaalsContact OD1-CZ 3.29Å; D95-R98 IonicContact OD1-NH1 2.79Å; D95-R98 IonicContact OD1-NH2 2.98Å; D95-R98 PolarHBondContact OD1-NH2 2.98Å; R98-K101 PolarHBondContact O-N 2.82Å; R98-T102 WeakPolarHBondContact O-CB 3.32Å; R98-T102 PolarHBondContact O-N 3.01Å; R98-T102 PolarHBondContact O-OG1 2.87Å
99A95.4Very high93.9Very high0 Ų062.1 Ų62.10%033%0.327CS..Hα-helixtrans-68.9-41.3179.900000112L44 F62 I65 Y90 D95 A96 Q97 L103L44-A99 HydrophobicContact CD1-CB 3.79Å; F62-A99 HydrophobicContact CD1-CB 4.5Å; I65-A99 HydrophobicContact CB-CB 4.34Å; I65-A99 HydrophobicContact CG1-CB 4.31Å; I65-A99 HydrophobicContact CG2-CB 3.95Å; Y90-A99 HydrophobicContact CE2-CB 3.58Å; Y90-A99 WeakPolarHBondContact OH-CB 3.39Å; D95-A99 VanDerWaalsContact O-CB 3.29Å; D95-A99 WeakPolarHBondContact O-CB 3.36Å; D95-A99 PolarHBondContact O-N 3.06Å; A96-A99 PolarHBondContact O-N 2.92Å; Q97-A99 VanDerWaalsContact C-N 3.3Å; Q97-A99 PolarHBondContact O-N 2.74Å; A99-L103 HydrophobicContact CB-CD1 4.48Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.41Å
100V95Very high93.4Very high32 Ų3266.2 Ų66.219%0.19436%0.363CS..Hα-helixtrans-60.9-47171.6174.40000110.4L44 A96 Q97 T102 N104 V115 Y117L44-V100 HydrophobicContact CD1-CG2 4.09Å; L44-V100 HydrophobicContact CD2-CG2 3.54Å; L44-V100 HydrophobicContact CG-CG2 4.48Å; A96-V100 WeakPolarHBondContact O-CG2 3.42Å; A96-V100 PolarHBondContact O-N 2.68Å; Q97-V100 PolarHBondContact O-N 2.8Å; V100-T102 PolarHBondContact O-N 3.01Å; V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 3.21Å; V100-V115 HydrophobicContact CG2-CG1 4.11Å; V100-Y117 HydrophobicContact CG2-CE2 4.45Å
101K93.8Very high93.1Very high188 Ų18869.9 Ų69.982%0.81738%0.379SS*.Hα-helixtrans-66.6-34-178.7-170.3174-178.7176.30113.7Q97 R98Q97-K101 WeakPolarHBondContact O-CB 3.18Å; Q97-K101 PolarHBondContact O-N 3.13Å; R98-K101 PolarHBondContact O-N 2.82Å
102T93.3Very high93Very high87 Ų8771.7 Ų71.753%0.53439%0.385SS..Hα-helixtrans-96.8-36.9-171.7-49.10000113.7I65 R98 V100I65-T102 HydrophobicContact CD1-CG2 4.07Å; R98-T102 WeakPolarHBondContact O-CB 3.32Å; R98-T102 PolarHBondContact O-N 3.01Å; R98-T102 PolarHBondContact O-OG1 2.87Å; V100-T102 PolarHBondContact O-N 3.01Å
103L94.6Very high93Very high12 Ų1267.3 Ų67.36%0.06337%0.365CS..Hα-helixtrans-104.3-15.6-171.9-58.2177.2000113.5L61 F62 I65 A99 G105 L106 I113 V115L61-L103 HydrophobicContact CD1-CD2 4.47Å; F62-L103 HydrophobicContact CD1-CD1 3.67Å; F62-L103 HydrophobicContact CD2-CD1 4.36Å; F62-L103 HydrophobicContact CE1-CB 4.48Å; F62-L103 HydrophobicContact CE1-CD1 3.56Å; F62-L103 HydrophobicContact CE2-CD1 4.27Å; F62-L103 HydrophobicContact CG-CD1 4.06Å; F62-L103 HydrophobicContact CZ-CB 4.46Å; F62-L103 HydrophobicContact CZ-CD1 3.86Å; I65-L103 HydrophobicContact CD1-CD1 4.34Å; I65-L103 HydrophobicContact CD1-CD2 4.4Å; I65-L103 HydrophobicContact CD1-CG 4.24Å; I65-L103 HydrophobicContact CG1-CD1 3.74Å; I65-L103 HydrophobicContact CG1-CG 4.15Å; A99-L103 HydrophobicContact CB-CD1 4.48Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.41Å; L103-G105 PolarHBondContact O-N 2.77Å; L103-L106 HydrophobicContact CD2-CD2 4.23Å; L103-L106 VanDerWaalsContact O-CB 3.32Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.45Å; L103-I113 WeakPolarHBondContact O-CD1 3.48Å; L103-I113 VanDerWaalsContact O-CG1 3.32Å; L103-I113 WeakPolarHBondContact O-CG1 3.3Å; L103-V115 HydrophobicContact CB-CG2 4Å
104N93.4Very high93Very high78 Ų7868.8 Ų68.842%0.41737%0.367SS..THydrogen-bonded Turntrans-66.2127.9172.1-174.343.3000110V100 K114 V115V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 3.21Å; N104-K114 WeakPolarHBondContact OD1-CA 3.3Å; N104-V115 HydrophobicContact CB-CB 3.99Å; N104-V115 PolarHBondContact OD1-N 2.99Å; N104-V115 PolarHBondContact OD1-O 3.44Å
105G92.5Very high93Very high42 Ų4262.7 Ų62.743%0.43334%0.339SS..THydrogen-bonded Turntrans86.43.3-175.300000114.7L103 P107 T112 I113L103-G105 PolarHBondContact O-N 2.77Å; G105-P107 WeakPolarHBondContact O-CD 3.47Å; G105-T112 VanDerWaalsContact O-CG2 3.28Å; G105-T112 WeakPolarHBondContact O-CG2 3Å; G105-I113 PolarHBondContact N-O 3.35Å
106L92.3Very high92.9Very high55 Ų5563.7 Ų63.729%0.28835%0.347SS..  trans-66.1123.6176.5-177.174.8000110.9L61 L103 L108 I113L61-L106 HydrophobicContact CD1-CD2 4.07Å; L61-L106 HydrophobicContact CD2-CD2 4.25Å; L103-L106 HydrophobicContact CD2-CD2 4.23Å; L103-L106 VanDerWaalsContact O-CB 3.32Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.45Å; L106-L108 HydrophobicContact CD2-CD2 3.85Å; L106-L108 HydrophobicContact CD2-CG 4.24Å; L106-L108 HydrophobicContact CG-CD2 4.22Å; L106-L108 HydrophobicContact CG-CG 4.47Å; L106-L108 PolarHBondContact O-N 2.82Å; L106-I113 HydrophobicContact CB-CD1 3.97Å; L106-I113 HydrophobicContact CB-CG1 3.96Å; L106-I113 HydrophobicContact CD2-CD1 4.2Å; L106-I113 PolarHBondContact O-N 2.75Å
107P92.7Very high92.9Very high91 Ų9165.7 Ų65.759%0.59136%0.355SS*.EExtended strand (participates in β ladder)trans-74.6123.3172.529.4-33.2000110.8G105 K111G105-P107 WeakPolarHBondContact O-CD 3.47Å; P107-K111 CarbonylContact C-O 3.52Å; P107-K111 WeakPolarHBondContact CA-O 3.41Å
108L90.4Very high92.8Very high39 Ų3962.5 Ų62.520%0.20434%0.343CS..EExtended strand (participates in β ladder)trans-124.4111.6172-64-175.5000109.1P50 M53 L61 L106 A110 K111 I113P50-L108 HydrophobicContact CG-CB 3.96Å; M53-L108 HydrophobicContact CE-CD1 4.19Å; M53-L108 HydrophobicContact SD-CD1 4.04Å; L61-L108 HydrophobicContact CD2-CD1 3.9Å; L106-L108 HydrophobicContact CD2-CD2 3.85Å; L106-L108 HydrophobicContact CD2-CG 4.24Å; L106-L108 HydrophobicContact CG-CD2 4.22Å; L106-L108 HydrophobicContact CG-CG 4.47Å; L106-L108 PolarHBondContact O-N 2.82Å; L108-A110 PolarHBondContact O-N 3.01Å; L108-K111 CarbonylContact C-O 3.51Å; L108-K111 PolarHBondContact N-O 2.92Å; L108-K111 PolarHBondContact O-N 2.77Å; L108-K111 VanDerWaalsContact O-N 3.14Å; L108-K111 VanDerWaalsContact O-O 3.07Å; L108-I113 HydrophobicContact CB-CG2 4.31Å; L108-I113 HydrophobicContact CD1-CD1 4.33Å; L108-I113 HydrophobicContact CD1-CG2 3.68Å; L108-I113 HydrophobicContact CG-CG2 4.01Å
109Q87.7Confident92.5Very high142 Ų14259.6 Ų59.666%0.66433%0.333SS*.THydrogen-bonded Turntrans53.5-130.5-172.1-53.4177.1-7.700111.1P50 T52 K111P50-Q109 HydrophobicContact CG-CB 4.42Å; P50-Q109 HydrophobicContact CG-CG 4.23Å; T52-Q109 PolarHBondContact OG1-NE2 2.76Å; Q109-K111 VanDerWaalsContact C-N 3.26Å; Q109-K111 PolarHBondContact O-N 3.16Å
110A86.5Confident91.9Very high101 Ų10165.1 Ų65.184%0.83537%0.368SS*.THydrogen-bonded Turntrans-86.624.2177.800000113.8L108L108-A110 PolarHBondContact O-N 3.01Å
111K90.6Very high91.3Very high78 Ų7869.4 Ų69.434%0.33940%0.4SS..EExtended strand (participates in β ladder)trans-137.4150.6-179.8-60.7-172.5-173.5-177.40111.6Y48 L49 P107 L108 Q109Y48-K111 WeakPolarHBondContact O-CB 3.49Å; Y48-K111 WeakPolarHBondContact O-CD 3.42Å; L49-K111 PolarHBondContact O-NZ 3.14Å; P107-K111 CarbonylContact C-O 3.52Å; P107-K111 WeakPolarHBondContact CA-O 3.41Å; L108-K111 CarbonylContact C-O 3.51Å; L108-K111 PolarHBondContact N-O 2.92Å; L108-K111 PolarHBondContact O-N 2.77Å; L108-K111 VanDerWaalsContact O-N 3.14Å; L108-K111 VanDerWaalsContact O-O 3.07Å; Q109-K111 VanDerWaalsContact C-N 3.26Å; Q109-K111 PolarHBondContact O-N 3.16Å
112T92.1Very high90.8Very high81 Ų8162.7 Ų62.750%0.49738%0.377SS..EExtended strand (participates in β ladder)trans-106.8120.8169.5-550000108.5Y48 G105Y48-T112 WeakPolarHBondContact CB-O 3.42Å; G105-T112 VanDerWaalsContact O-CG2 3.28Å; G105-T112 WeakPolarHBondContact O-CG2 3Å
113I94.7Very high90.3Very high2 Ų264.2 Ų64.21%0.0138%0.381CS..  trans-74.9143.2-177.674.4-179.1000110.8V46 N47 L49 L61 F62 L103 G105 L106 L108 V115V46-I113 HydrophobicContact CG1-CB 4.41Å; V46-I113 HydrophobicContact CG1-CD1 4.33Å; N47-I113 WeakPolarHBondContact O-CA 3.31Å; L49-I113 HydrophobicContact CD2-CG2 3.93Å; L61-I113 HydrophobicContact CD2-CD1 4.46Å; F62-I113 HydrophobicContact CZ-CD1 4.49Å; L103-I113 WeakPolarHBondContact O-CD1 3.48Å; L103-I113 VanDerWaalsContact O-CG1 3.32Å; L103-I113 WeakPolarHBondContact O-CG1 3.3Å; G105-I113 PolarHBondContact N-O 3.35Å; L106-I113 HydrophobicContact CB-CD1 3.97Å; L106-I113 HydrophobicContact CB-CG1 3.96Å; L106-I113 HydrophobicContact CD2-CD1 4.2Å; L106-I113 PolarHBondContact O-N 2.75Å; L108-I113 HydrophobicContact CB-CG2 4.31Å; L108-I113 HydrophobicContact CD1-CD1 4.33Å; L108-I113 HydrophobicContact CD1-CG2 3.68Å; L108-I113 HydrophobicContact CG-CG2 4.01Å; I113-V115 HydrophobicContact CD1-CG2 4.05Å; I113-V115 HydrophobicContact CG1-CG2 4.17Å
114K93.6Very high89.8Confident74 Ų7468 Ų6832%0.32240%0.4SS..EExtended strand (participates in β ladder)trans-108.2115170.7-178.7172.3-178.7172.50109.3V46 N47 Y48 N104V46-K114 WeakPolarHBondContact CA-O 3.29Å; N47-K114 HydrophobicContact CB-CB 4.39Å; N47-K114 PolarHBondContact N-O 3.29Å; N47-K114 PolarHBondContact O-N 3.31Å; Y48-K114 HydrophobicContact CD2-CB 3.78Å; Y48-K114 HydrophobicContact CE2-CB 3.83Å; N104-K114 WeakPolarHBondContact OD1-CA 3.3Å
115V95.4Very high89.5Confident2 Ų265.8 Ų65.81%0.01239%0.388CS..EExtended strand (participates in β ladder)trans-104.5128.5176-174.10000108.1L44 V46 F62 V100 L103 N104 I113L44-V115 HydrophobicContact CD1-CG1 3.87Å; V46-V115 HydrophobicContact CG1-CG2 4.14Å; V46-V115 HydrophobicContact CG2-CG2 4.42Å; F62-V115 HydrophobicContact CE1-CG1 4.08Å; F62-V115 HydrophobicContact CE1-CG2 4.14Å; F62-V115 HydrophobicContact CZ-CG2 3.84Å; V100-V115 HydrophobicContact CG2-CG1 4.11Å; L103-V115 HydrophobicContact CB-CG2 4Å; N104-V115 HydrophobicContact CB-CB 3.99Å; N104-V115 PolarHBondContact OD1-N 2.99Å; N104-V115 PolarHBondContact OD1-O 3.44Å; I113-V115 HydrophobicContact CD1-CG2 4.05Å; I113-V115 HydrophobicContact CG1-CG2 4.17Å
116S93.5Very high89.2Confident34 Ų3469.9 Ų69.924%0.23839%0.394CS..EExtended strand (participates in β ladder)trans-155.8157.1-178.451.20000109.9L44 I45 A118L44-S116 WeakPolarHBondContact CA-O 3.45Å; I45-S116 WeakPolarHBondContact CG2-OG 3.43Å; I45-S116 PolarHBondContact N-O 3.45Å; I45-S116 PolarHBondContact O-N 3.23Å; I45-S116 VanDerWaalsContact O-N 3.14Å; S116-A118 PolarHBondContact O-N 2.95Å
117Y94.2Very high88.8Confident42 Ų4269.4 Ų69.417%0.16540%0.402CS..EExtended strand (participates in β ladder)trans-53.8133.1171.9-66.1-69.6000111.7R41 L44 A96 Q97 V100R41-Y117 HydrophobicContact CB-CD1 3.52Å; R41-Y117 HydrophobicContact CB-CE1 3.77Å; R41-Y117 HydrophobicContact CB-CG 4.25Å; R41-Y117 HydrophobicContact CG-CD1 4.49Å; R41-Y117 WeakPolarHBondContact O-CE1 3.45Å; L44-Y117 HydrophobicContact CD2-CD1 3.52Å; L44-Y117 HydrophobicContact CD2-CE1 3.81Å; L44-Y117 HydrophobicContact CD2-CG 4.22Å; A96-Y117 HydrophobicContact CB-CE1 4.31Å; Q97-Y117 WeakPolarHBondContact CA-OH 3.45Å; V100-Y117 HydrophobicContact CG2-CE2 4.45Å
118A92.6Very high88.8Confident20 Ų2065.1 Ų65.117%0.16537%0.374CS..PPolyproline II helixtrans-68.9140.5175.700000109.7N43 I45 F87 S116N43-A118 HydrophobicContact CB-CB 4.07Å; N43-A118 PolarHBondContact O-N 2.91Å; I45-A118 HydrophobicContact CB-CB 4.25Å; F87-A118 HydrophobicContact CD1-CB 4.18Å; F87-A118 HydrophobicContact CE1-CB 4.35Å; S116-A118 PolarHBondContact O-N 2.95Å
119R87.4Confident89Confident52 Ų5265.7 Ų65.720%0.19638%0.377CS..PPolyproline II helixtrans-87.3140.7173.1-60.8175.563.2-129.6-26.1108.5S121 I125 D177R119-S121 PolarHBondContact O-N 3.45Å; R119-I125 HydrophobicContact CB-CD1 4.22Å; R119-D177 VanDerWaalsContact CZ-CG 3.44Å; R119-D177 IonicContact CZ-OD1 3.04Å; R119-D177 IonicContact CZ-OD2 3.29Å; R119-D177 IonicContact NE-OD1 3.58Å; R119-D177 PolarHBondContact NE-OD1 3.47Å; R119-D177 PolarHBondContact NH1-O 3.49Å; R119-D177 IonicContact NH1-OD1 3.92Å; R119-D177 VanDerWaalsContact NH2-C 3.3Å; R119-D177 PolarHBondContact NH2-O 2.81Å; R119-D177 IonicContact NH2-OD1 3.8Å; R119-D177 PolarHBondContact NH2-OD1 3.03Å; R119-D177 IonicContact NH2-OD2 2.64Å; R119-D177 PolarHBondContact NH2-OD2 2.98Å
120P84.4Confident89.4Confident116 Ų11658.9 Ų58.975%0.75335%0.346SS*.PPolyproline II helixtrans-50.8135.6173.8-2835.6000111.5S122P120-S122 PolarHBondContact O-N 2.57Å
121S82Confident89.9Confident122 Ų12257 Ų5785%0.85332%0.317SS*.  trans-71.4115.6-179.3-73.10000110.3R119R119-S121 PolarHBondContact O-N 3.45Å
122S82.6Confident90.1Very high47 Ų4753.2 Ų53.233%0.32930%0.301SS..  trans-142.2154174.8169.40000109.7P120 M124 I125P120-S122 PolarHBondContact O-N 2.57Å; S122-M124 PolarHBondContact O-N 3.31Å; S122-M124 PolarHBondContact OG-N 3.38Å; S122-I125 WeakPolarHBondContact O-CG1 3.27Å; S122-I125 PolarHBondContact O-N 3.45Å
123D83.9Confident90.2Very high119 Ų11951.7 Ų51.764%0.63629%0.29SS*.G310 helixtrans-67.6-27173-69.9-64.7000112.2I125 K126D123-I125 PolarHBondContact O-N 3.05Å; D123-I125 VanDerWaalsContact O-N 3.14Å; D123-K126 WeakPolarHBondContact O-CB 3.34Å; D123-K126 PolarHBondContact O-N 2.95Å; D123-K126 VanDerWaalsContact O-N 3.11Å; D123-K126 WeakPolarHBondContact OD1-CD 3.2Å; D123-K126 WeakPolarHBondContact OD1-CE 3.08Å; D123-K126 IonicContact OD1-NZ 2.81Å; D123-K126 PolarHBondContact OD1-NZ 3.26Å
124M83.9Confident90.1Very high92 Ų9252 Ų5245%0.45329%0.293SS..G310 helixtrans-63-19.9176.8-59.4179.475.500113.7S122 R178 R179S122-M124 PolarHBondContact O-N 3.31Å; S122-M124 PolarHBondContact OG-N 3.38Å; M124-R178 CarbonylContact O-C 3.57Å; M124-R178 WeakPolarHBondContact O-CA 3.4Å; M124-R179 PolarHBondContact O-N 3.33Å
125I85.7Confident90Very high31 Ų3148.9 Ų48.916%0.15928%0.28CS..G310 helixtrans-95.4-3.7-17975.9151.2000112.8R119 S122 D123R119-I125 HydrophobicContact CB-CD1 4.22Å; S122-I125 WeakPolarHBondContact O-CG1 3.27Å; S122-I125 PolarHBondContact O-N 3.45Å; D123-I125 PolarHBondContact O-N 3.05Å; D123-I125 VanDerWaalsContact O-N 3.14Å
126K85.8Confident89.8Confident128 Ų12849.2 Ų49.256%0.55728%0.283SS*.SBendtrans-89.9145.6176.7-59.1175.3-170.2166.90109.3D123 A128D123-K126 WeakPolarHBondContact O-CB 3.34Å; D123-K126 PolarHBondContact O-N 2.95Å; D123-K126 VanDerWaalsContact O-N 3.11Å; D123-K126 WeakPolarHBondContact OD1-CD 3.2Å; D123-K126 WeakPolarHBondContact OD1-CE 3.08Å; D123-K126 IonicContact OD1-NZ 2.81Å; D123-K126 PolarHBondContact OD1-NZ 3.26Å; K126-A128 PolarHBondContact O-N 2.89Å; K126-A128 VanDerWaalsContact O-N 3.13Å
127G85Confident89.6Confident45 Ų4555 Ų5546%0.46430%0.304SS..SBendtrans68.37.2177.300000115.8N129 F205G127-N129 PolarHBondContact O-N 2.73Å; G127-N129 VanDerWaalsContact O-N 3.1Å; G127-F205 WeakPolarHBondContact O-CD1 3.21Å; G127-F205 WeakPolarHBondContact O-CE1 3.3Å
128A93.1Very high89.4Confident1 Ų158.6 Ų58.61%0.00833%0.33CS..  trans-78.826.8176.300000114K126 R175 F176 R178 A182K126-A128 PolarHBondContact O-N 2.89Å; K126-A128 VanDerWaalsContact O-N 3.13Å; A128-R175 WeakPolarHBondContact O-CA 3.44Å; A128-F176 HydrophobicContact CB-CB 4.43Å; A128-F176 PolarHBondContact O-N 2.89Å; A128-R178 WeakPolarHBondContact CB-O 3.5Å; A128-A182 HydrophobicContact CB-CB 4.49Å
129N94.5Very high89.2Confident50 Ų5058.7 Ų58.727%0.26733%0.327SS..EExtended strand (participates in β ladder)trans-107.8124-179-170.741.6000109.7G127 R175 A206G127-N129 PolarHBondContact O-N 2.73Å; G127-N129 VanDerWaalsContact O-N 3.1Å; N129-R175 HydrophobicContact CB-CG 4.49Å; N129-A206 HydrophobicContact CB-CB 4.31Å; N129-A206 WeakPolarHBondContact ND2-CB 3.49Å; N129-A206 WeakPolarHBondContact O-CB 3.19Å; N129-A206 PolarHBondContact O-N 3.3Å
130L96.5Very high89.4Confident0 Ų059.3 Ų59.30%034%0.337CS..EExtended strand (participates in β ladder)trans-101146.9-179.9-59.1-174.9000111.1I132 F148 F173 V174 F176 A182 A185 I186 V203 K204 F205L130-I132 HydrophobicContact CB-CD1 4.09Å; L130-F148 HydrophobicContact CD1-CD1 4.31Å; L130-F148 HydrophobicContact CD1-CE1 3.88Å; L130-F173 VanDerWaalsContact O-CA 3.3Å; L130-F173 WeakPolarHBondContact O-CA 3.34Å; L130-V174 WeakPolarHBondContact CB-O 3.45Å; L130-V174 PolarHBondContact N-O 2.95Å; L130-V174 PolarHBondContact O-N 2.93Å; L130-F176 HydrophobicContact CD1-CD2 4.06Å; L130-F176 HydrophobicContact CD1-CE2 3.69Å; L130-F176 HydrophobicContact CG-CD2 4.46Å; L130-A182 HydrophobicContact CD1-CB 4.33Å; L130-A182 HydrophobicContact CD2-CB 3.91Å; L130-A182 HydrophobicContact CG-CB 4.11Å; L130-A185 HydrophobicContact CD1-CB 4Å; L130-I186 HydrophobicContact CD1-CG1 4.38Å; L130-I186 HydrophobicContact CD2-CD1 3.55Å; L130-I186 HydrophobicContact CD2-CG1 3.67Å; L130-V203 HydrophobicContact CB-CG1 4.41Å; L130-V203 HydrophobicContact CD1-CG1 3.79Å; L130-K204 CarbonylContact C-O 3.53Å; L130-K204 WeakPolarHBondContact CA-O 3.32Å; L130-F205 HydrophobicContact CD2-CD1 4.09Å; L130-F205 HydrophobicContact CD2-CE1 4.17Å
131Y96Very high89.7Confident60 Ų6055.7 Ų55.724%0.23531%0.314CS..EExtended strand (participates in β ladder)trans-109.6127.6165.6168.9-89.5000107.1N133 V171 F173 K204Y131-N133 HydrophobicContact CE1-CB 3.74Å; Y131-V171 HydrophobicContact CD2-CG1 4.08Å; Y131-V171 HydrophobicContact CE2-CG1 3.41Å; Y131-V171 VanDerWaalsContact CE2-CG1 3.41Å; Y131-V171 HydrophobicContact CE2-CG2 4.42Å; Y131-F173 AromaticContact CD2-CE1 3.78Å; Y131-F173 HydrophobicContact CD2-CE1 3.78Å; Y131-F173 AromaticContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CE2-CZ 4.37Å; Y131-K204 HydrophobicContact CD1-CD 4.38Å; Y131-K204 HydrophobicContact CD1-CG 4.03Å; Y131-K204 PolarHBondContact N-O 3.45Å; Y131-K204 PolarHBondContact O-N 3.21Å
132I95.3Very high90.2Very high0 Ų053.9 Ų53.90%030%0.302CS..EExtended strand (participates in β ladder)trans-116.4134.1179.3-51.982.6000107.5L130 L135 F148 V171 G172 V174 M201 W202 V203L130-I132 HydrophobicContact CB-CD1 4.09Å; I132-L135 HydrophobicContact CB-CD1 4.4Å; I132-L135 HydrophobicContact CG2-CD1 4.21Å; I132-L135 HydrophobicContact CG2-CD2 3.75Å; I132-L135 HydrophobicContact CG2-CG 3.84Å; I132-F148 HydrophobicContact CD1-CE2 4.48Å; I132-F148 HydrophobicContact CD1-CZ 4.19Å; I132-F148 HydrophobicContact CG1-CE1 4.36Å; I132-F148 HydrophobicContact CG1-CE2 3.91Å; I132-F148 HydrophobicContact CG1-CZ 3.52Å; I132-V171 CarbonylContact O-C 3.57Å; I132-V171 VanDerWaalsContact O-CA 3.27Å; I132-V171 WeakPolarHBondContact O-CA 3.46Å; I132-G172 PolarHBondContact N-O 2.93Å; I132-G172 PolarHBondContact O-N 3.23Å; I132-V174 HydrophobicContact CD1-CB 4.07Å; I132-V174 HydrophobicContact CD1-CG2 3.83Å; I132-M201 HydrophobicContact CG2-CB 4.39Å; I132-M201 HydrophobicContact CG2-SD 4.42Å; I132-W202 CarbonylContact C-O 3.55Å; I132-W202 WeakPolarHBondContact CA-O 3.47Å; I132-V203 HydrophobicContact CG1-CG1 4.41Å; I132-V203 HydrophobicContact CG1-CG2 4.49Å; I132-V203 HydrophobicContact CG2-CG2 4.32Å
133N94Very high90.7Very high48 Ų4856 Ų5626%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-129.7159.6172.3-168.322.7000109.5Y131 G170 V171 M201 W202Y131-N133 HydrophobicContact CE1-CB 3.74Å; N133-G170 CarbonylContact C-O 3.57Å; N133-G170 PolarHBondContact OD1-O 3.46Å; N133-V171 HydrophobicContact CB-CG2 4.48Å; N133-V171 WeakPolarHBondContact OD1-CG2 3.3Å; N133-M201 CarbonylContact O-C 3.27Å; N133-M201 WeakPolarHBondContact O-CA 3.37Å; N133-M201 WeakPolarHBondContact O-CB 3.43Å; N133-W202 PolarHBondContact N-O 3.43Å; N133-W202 PolarHBondContact O-N 3.34Å
134G91.7Very high91.2Very high9 Ų950.3 Ų50.39%0.09328%0.276CS..SBendtrans7827-174.300000113.4G170G134-G170 PolarHBondContact N-O 3.21Å; G134-G170 VanDerWaalsContact N-O 3.09Å
135L92.4Very high91.7Very high8 Ų849.7 Ų49.74%0.04227%0.272CS..  trans-77.9144.5170.4-65.7176.4000110.8I132 L144 M147 I159 G170I132-L135 HydrophobicContact CB-CD1 4.4Å; I132-L135 HydrophobicContact CG2-CD1 4.21Å; I132-L135 HydrophobicContact CG2-CD2 3.75Å; I132-L135 HydrophobicContact CG2-CG 3.84Å; L135-L144 HydrophobicContact CD1-CD1 3.85Å; L135-L144 HydrophobicContact CD1-CD2 4.5Å; L135-L144 HydrophobicContact CD2-CD1 4.02Å; L135-M147 HydrophobicContact CD2-CE 4.19Å; L135-I159 HydrophobicContact CD1-CD1 4.48Å; L135-I159 HydrophobicContact CD1-CG1 4.34Å; L135-G170 PolarHBondContact N-O 2.93Å; L135-G170 VanDerWaalsContact O-CA 3.26Å; L135-G170 WeakPolarHBondContact O-CA 3.36Å
136P90.8Very high92Very high10 Ų1054.4 Ų54.47%0.06530%0.297CS..  trans-54.9143.8170.1-19.427.8000111T138 M139 P194 A195P136-T138 PolarHBondContact O-N 2.89Å; P136-M139 HydrophobicContact CB-CB 4.22Å; P136-M139 HydrophobicContact CG-CB 4.37Å; P136-M139 HydrophobicContact CG-SD 4.22Å; P136-M139 WeakPolarHBondContact O-CB 3.36Å; P136-M139 PolarHBondContact O-N 2.71Å; P136-M139 VanDerWaalsContact O-N 3.07Å; P136-P194 HydrophobicContact CG-CB 4.23Å; P136-P194 HydrophobicContact CG-CG 4.12Å; P136-A195 WeakPolarHBondContact CG-O 3.4Å
137K89.1Confident92.3Very high156 Ų15650.3 Ų50.368%0.67828%0.28SS*.THydrogen-bonded Turntrans-66.5-19.7175.9-66.8-174.6-178.9175.50113.1I167 S168K137-I167 HydrophobicContact CD-CG2 4.28Å; K137-S168 WeakPolarHBondContact O-CB 3.25Å
138T90Very high92.8Very high116 Ų11648.2 Ų48.271%0.71226%0.258SS*.THydrogen-bonded Turntrans-82.7-16174.449.10000113.6P136 T140P136-T138 PolarHBondContact O-N 2.89Å; T138-T140 PolarHBondContact O-N 3.37Å
139M89.9Confident92.9Very high23 Ų2350.5 Ų50.511%0.11328%0.277CS..  trans-60.9132.3-175.5-165.194.8176.400111P136 E143 L144 M147 I159P136-M139 HydrophobicContact CB-CB 4.22Å; P136-M139 HydrophobicContact CG-CB 4.37Å; P136-M139 HydrophobicContact CG-SD 4.22Å; P136-M139 WeakPolarHBondContact O-CB 3.36Å; P136-M139 PolarHBondContact O-N 2.71Å; P136-M139 VanDerWaalsContact O-N 3.07Å; M139-E143 WeakPolarHBondContact CA-OE2 3.41Å; M139-E143 HydrophobicContact CE-CB 3.91Å; M139-E143 HydrophobicContact CG-CB 4.45Å; M139-E143 HydrophobicContact SD-CB 4.27Å; M139-L144 HydrophobicContact CE-CB 4.41Å; M139-M147 HydrophobicContact CE-CB 4.4Å; M139-M147 HydrophobicContact CE-CE 3.82Å; M139-M147 HydrophobicContact CE-SD 3.9Å; M139-I159 HydrophobicContact CB-CD1 4.02Å; M139-I159 HydrophobicContact CG-CD1 3.95Å; M139-I159 WeakPolarHBondContact O-CD1 3.32Å
140T91.6Very high92.9Very high64 Ų6453.1 Ų53.139%0.39330%0.297SS..  trans-97.6162.7176.766.60000111.8T138 S142 E143 L144 I159T138-T140 PolarHBondContact O-N 3.37Å; T140-S142 PolarHBondContact O-N 2.95Å; T140-E143 PolarHBondContact N-OE2 3.01Å; T140-E143 PolarHBondContact O-N 2.79Å; T140-E143 VanDerWaalsContact OG1-CG 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.43Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.85Å; T140-L144 PolarHBondContact O-N 3.1Å; T140-I159 VanDerWaalsContact C-CD1 3.44Å; T140-I159 WeakPolarHBondContact O-CD1 3.32Å
141S90.6Very high92.9Very high41 Ų4155 Ų5529%0.28731%0.305SS..Hα-helixtrans-64.5-31.9177.4-154.10000112.1L144 E145 S157 R158S141-L144 PolarHBondContact O-N 2.87Å; S141-E145 WeakPolarHBondContact O-CB 3.49Å; S141-E145 PolarHBondContact O-N 2.86Å; S141-S157 PolarHBondContact OG-OG 3.1Å; S141-S157 VanDerWaalsContact OG-OG 3.05Å; S141-R158 WeakPolarHBondContact OG-CA 3.38Å
142S92.6Very high92.8Very high84 Ų8453 Ų5359%0.58730%0.303SS*.Hα-helixtrans-69.6-42.2177.3-48.80000111.9T140 L144 E145 L146T140-S142 PolarHBondContact O-N 2.95Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-E145 PolarHBondContact O-N 2.84Å; S142-L146 WeakPolarHBondContact O-CG 3.4Å; S142-L146 PolarHBondContact O-N 2.89Å
143E92.5Very high92.7Very high90 Ų9059.3 Ų59.342%0.42133%0.331SS..Hα-helixtrans-64.2-39.7173.2-70.8159.3162.400111.5M139 T140 E145 L146 M147M139-E143 WeakPolarHBondContact CA-OE2 3.41Å; M139-E143 HydrophobicContact CE-CB 3.91Å; M139-E143 HydrophobicContact CG-CB 4.45Å; M139-E143 HydrophobicContact SD-CB 4.27Å; T140-E143 PolarHBondContact N-OE2 3.01Å; T140-E143 PolarHBondContact O-N 2.79Å; T140-E143 VanDerWaalsContact OG1-CG 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.43Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.85Å; E143-E145 VanDerWaalsContact C-N 3.28Å; E143-E145 PolarHBondContact O-N 2.8Å; E143-L146 PolarHBondContact O-N 2.78Å; E143-M147 VanDerWaalsContact O-CB 3.32Å; E143-M147 WeakPolarHBondContact O-CB 3.46Å; E143-M147 PolarHBondContact O-N 3.28Å
144L93.3Very high92.7Very high0 Ų058.2 Ų58.20%032%0.324CS..Hα-helixtrans-61.3-40.2174.3-178.169.8000110.9L135 M139 T140 S141 S142 M147 F148 I159 V174L135-L144 HydrophobicContact CD1-CD1 3.85Å; L135-L144 HydrophobicContact CD1-CD2 4.5Å; L135-L144 HydrophobicContact CD2-CD1 4.02Å; M139-L144 HydrophobicContact CE-CB 4.41Å; T140-L144 PolarHBondContact O-N 3.1Å; S141-L144 PolarHBondContact O-N 2.87Å; S142-L144 VanDerWaalsContact C-N 3.34Å; L144-M147 HydrophobicContact CD1-CE 4.2Å; L144-F148 HydrophobicContact CD1-CD2 3.86Å; L144-F148 HydrophobicContact CD1-CE2 3.71Å; L144-F148 HydrophobicContact CG-CD2 4.42Å; L144-F148 WeakPolarHBondContact O-CD2 3.46Å; L144-F148 PolarHBondContact O-N 2.86Å; L144-I159 HydrophobicContact CB-CD1 4.39Å; L144-I159 HydrophobicContact CD2-CG1 3.86Å; L144-V174 HydrophobicContact CD1-CG2 4.21Å; L144-V174 HydrophobicContact CD2-CG2 3.83Å; L144-V174 HydrophobicContact CG-CG2 3.79Å
145E94.6Very high92.7Very high79 Ų7960.1 Ų60.137%0.36933%0.332SS..Hα-helixtrans-66.9-49177.1-165.9149.5162.800111.6S141 S142 E143 M147 F148 A149 I154 S157S141-E145 WeakPolarHBondContact O-CB 3.49Å; S141-E145 PolarHBondContact O-N 2.86Å; S142-E145 PolarHBondContact O-N 2.84Å; E143-E145 VanDerWaalsContact C-N 3.28Å; E143-E145 PolarHBondContact O-N 2.8Å; E145-M147 VanDerWaalsContact C-N 3.28Å; E145-M147 PolarHBondContact O-N 2.94Å; E145-F148 PolarHBondContact O-N 2.94Å; E145-F148 VanDerWaalsContact O-N 3.14Å; E145-A149 VanDerWaalsContact O-CB 3.28Å; E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 2.79Å; E145-I154 HydrophobicContact CB-CD1 4.48Å; E145-I154 HydrophobicContact CG-CB 4.45Å; E145-I154 HydrophobicContact CG-CD1 3.81Å; E145-I154 HydrophobicContact CG-CG2 4.29Å; E145-I154 WeakPolarHBondContact O-CD1 3.34Å; E145-S157 VanDerWaalsContact OE2-CB 3.28Å; E145-S157 WeakPolarHBondContact OE2-CB 3.49Å; E145-S157 PolarHBondContact OE2-OG 3.17Å
146L93.7Very high92.6Very high130 Ų13061.9 Ų61.968%0.68134%0.343SS*.Hα-helixtrans-57.8-38.4175.6-72.1169.5000112.8S142 E143 P150S142-L146 WeakPolarHBondContact O-CG 3.4Å; S142-L146 PolarHBondContact O-N 2.89Å; E143-L146 PolarHBondContact O-N 2.78Å; L146-P150 WeakPolarHBondContact O-CD 3.23Å
147M92.1Very high92.8Very high43 Ų4362.5 Ų62.521%0.21235%0.347CS..Hα-helixtrans-69.6-32.6178.4-172.2172.374.700112.8L135 M139 E143 L144 E145 F151 P194 M201L135-M147 HydrophobicContact CD2-CE 4.19Å; M139-M147 HydrophobicContact CE-CB 4.4Å; M139-M147 HydrophobicContact CE-CE 3.82Å; M139-M147 HydrophobicContact CE-SD 3.9Å; E143-M147 VanDerWaalsContact O-CB 3.32Å; E143-M147 WeakPolarHBondContact O-CB 3.46Å; E143-M147 PolarHBondContact O-N 3.28Å; L144-M147 HydrophobicContact CD1-CE 4.2Å; E145-M147 VanDerWaalsContact C-N 3.28Å; E145-M147 PolarHBondContact O-N 2.94Å; M147-F151 WeakPolarHBondContact O-CE2 3.36Å; M147-P194 HydrophobicContact SD-CB 4.34Å; M147-M201 HydrophobicContact CE-CE 3.59Å; M147-M201 HydrophobicContact CE-SD 3.76Å; M147-M201 HydrophobicContact SD-CE 3.71Å
148F94.9Very high92.9Very high0 Ų061.7 Ų61.70%034%0.34CS..Hα-helixtrans-96.9-18.7-178.6-83.9-95000114L130 I132 L144 E145 P150 F151 I154 V174 F176 A185 L189 V203L130-F148 HydrophobicContact CD1-CD1 4.31Å; L130-F148 HydrophobicContact CD1-CE1 3.88Å; I132-F148 HydrophobicContact CD1-CE2 4.48Å; I132-F148 HydrophobicContact CD1-CZ 4.19Å; I132-F148 HydrophobicContact CG1-CE1 4.36Å; I132-F148 HydrophobicContact CG1-CE2 3.91Å; I132-F148 HydrophobicContact CG1-CZ 3.52Å; L144-F148 HydrophobicContact CD1-CD2 3.86Å; L144-F148 HydrophobicContact CD1-CE2 3.71Å; L144-F148 HydrophobicContact CG-CD2 4.42Å; L144-F148 WeakPolarHBondContact O-CD2 3.46Å; L144-F148 PolarHBondContact O-N 2.86Å; E145-F148 PolarHBondContact O-N 2.94Å; E145-F148 VanDerWaalsContact O-N 3.14Å; F148-P150 VanDerWaalsContact C-CD 3.4Å; F148-F151 WeakPolarHBondContact O-CD2 3.19Å; F148-F151 PolarHBondContact O-N 2.91Å; F148-I154 HydrophobicContact CB-CD1 3.69Å; F148-V174 HydrophobicContact CB-CG1 4.05Å; F148-V174 HydrophobicContact CB-CG2 4.37Å; F148-V174 HydrophobicContact CD1-CB 4.45Å; F148-V174 HydrophobicContact CD1-CG1 4.31Å; F148-V174 HydrophobicContact CD1-CG2 4.44Å; F148-V174 HydrophobicContact CD2-CG2 3.99Å; F148-V174 HydrophobicContact CE2-CG2 4.38Å; F148-V174 HydrophobicContact CG-CB 4.43Å; F148-V174 HydrophobicContact CG-CG1 4.23Å; F148-V174 HydrophobicContact CG-CG2 4.02Å; F148-F176 HydrophobicContact CB-CZ 3.97Å; F148-F176 AromaticContact CD1-CE2 3.89Å; F148-F176 HydrophobicContact CD1-CE2 3.89Å; F148-F176 AromaticContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CG-CZ 4.43Å; F148-F176 WeakPolarHBondContact O-CE1 3.26Å; F148-F176 WeakPolarHBondContact O-CZ 3.32Å; F148-A185 HydrophobicContact CD1-CB 4.05Å; F148-A185 HydrophobicContact CE1-CB 4.2Å; F148-L189 HydrophobicContact CD1-CD1 3.63Å; F148-L189 HydrophobicContact CD2-CD1 4.04Å; F148-L189 HydrophobicContact CE1-CD1 3.43Å; F148-L189 VanDerWaalsContact CE1-CD1 3.43Å; F148-L189 HydrophobicContact CE2-CD1 3.86Å; F148-L189 HydrophobicContact CG-CD1 3.94Å; F148-L189 HydrophobicContact CZ-CD1 3.54Å; F148-V203 HydrophobicContact CE1-CG1 3.98Å; F148-V203 HydrophobicContact CZ-CG1 4.11Å; F148-V203 HydrophobicContact CZ-CG2 3.99Å
149A94.6Very high93.1Very high50 Ų5057.5 Ų57.541%0.41331%0.313SS..G310 helixtrans-56.5-35.5-178.700000115E145 F151 G152 I154E145-A149 VanDerWaalsContact O-CB 3.28Å; E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 2.79Å; A149-F151 PolarHBondContact O-N 2.82Å; A149-F151 VanDerWaalsContact O-N 3.08Å; A149-G152 PolarHBondContact O-N 2.85Å; A149-I154 HydrophobicContact CB-CD1 4.35Å
150P95.5Very high93.2Very high104 Ų10460 Ų6068%0.67533%0.326SS*.G310 helixtrans-62.5-15.6177.9-26.236.3000115.3L146 F148L146-P150 WeakPolarHBondContact O-CD 3.23Å; F148-P150 VanDerWaalsContact C-CD 3.4Å
151F94.8Very high93.3Very high40 Ų4060.2 Ų60.218%0.17533%0.328CS..G310 helixtrans-94.3-11-177.9-53.4-77.5000113.6M147 F148 A149 F176 E181 A185 K188 L189M147-F151 WeakPolarHBondContact O-CE2 3.36Å; F148-F151 WeakPolarHBondContact O-CD2 3.19Å; F148-F151 PolarHBondContact O-N 2.91Å; A149-F151 PolarHBondContact O-N 2.82Å; A149-F151 VanDerWaalsContact O-N 3.08Å; F151-F176 HydrophobicContact CB-CE1 4.29Å; F151-F176 HydrophobicContact CB-CZ 4.09Å; F151-E181 WeakPolarHBondContact O-CB 3.44Å; F151-A185 HydrophobicContact CB-CB 3.73Å; F151-A185 HydrophobicContact CD2-CB 4.22Å; F151-A185 HydrophobicContact CG-CB 3.9Å; F151-K188 HydrophobicContact CD1-CB 4.36Å; F151-K188 HydrophobicContact CD1-CD 4.02Å; F151-K188 HydrophobicContact CE1-CB 3.58Å; F151-K188 HydrophobicContact CE1-CD 3.55Å; F151-K188 HydrophobicContact CE1-CG 4.18Å; F151-K188 HydrophobicContact CZ-CB 4.17Å; F151-L189 HydrophobicContact CD2-CD1 3.97Å; F151-L189 HydrophobicContact CD2-CG 4.43Å; F151-L189 HydrophobicContact CE2-CD1 3.49Å; F151-L189 VanDerWaalsContact CE2-CD1 3.49Å; F151-L189 HydrophobicContact CE2-CD2 3.9Å; F151-L189 HydrophobicContact CE2-CG 3.65Å; F151-L189 HydrophobicContact CZ-CD1 4.15Å; F151-L189 HydrophobicContact CZ-CD2 3.88Å; F151-L189 HydrophobicContact CZ-CG 3.78Å
152G93.9Very high93.2Very high19 Ų1960.3 Ų60.320%0.19633%0.325CS..SBendtrans153.9-18017800000114A149 I154 F176 E181A149-G152 PolarHBondContact O-N 2.85Å; G152-I154 PolarHBondContact O-N 2.88Å; G152-F176 WeakPolarHBondContact O-CE1 3.39Å; G152-E181 VanDerWaalsContact CA-OE1 3.24Å; G152-E181 WeakPolarHBondContact CA-OE1 3.33Å
153K93.6Very high92.8Very high132 Ų13263 Ų6357%0.57433%0.329SS*.  trans-73.3120.6-176.1-178168.6-172.9162.20111.6F176 D177 E181K153-F176 CarbonylContact O-C 3.45Å; K153-F176 WeakPolarHBondContact O-CA 3.05Å; K153-D177 HydrophobicContact CB-CB 3.97Å; K153-D177 HydrophobicContact CG-CB 4.4Å; K153-D177 PolarHBondContact O-N 3.09Å; K153-E181 PolarHBondContact N-OE1 3.47Å
154I94.4Very high92.5Very high25 Ų2560.3 Ų60.313%0.12832%0.321CS..EExtended strand (participates in β ladder)trans-83.2136176.1-64.8170.2000110.1E145 F148 A149 G152 V174 F176E145-I154 HydrophobicContact CB-CD1 4.48Å; E145-I154 HydrophobicContact CG-CB 4.45Å; E145-I154 HydrophobicContact CG-CD1 3.81Å; E145-I154 HydrophobicContact CG-CG2 4.29Å; E145-I154 WeakPolarHBondContact O-CD1 3.34Å; F148-I154 HydrophobicContact CB-CD1 3.69Å; A149-I154 HydrophobicContact CB-CD1 4.35Å; G152-I154 PolarHBondContact O-N 2.88Å; I154-V174 HydrophobicContact CD1-CG1 4.02Å; I154-V174 HydrophobicContact CG1-CG1 3.94Å; I154-V174 HydrophobicContact CG2-CG1 4.24Å; I154-F176 HydrophobicContact CG1-CD1 4.17Å; I154-F176 HydrophobicContact CG1-CE1 3.87Å; I154-F176 HydrophobicContact CG1-CZ 4.42Å
155I91.7Very high92.3Very high49 Ų4964.4 Ų64.425%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-102.5-35.8178.3-60.3-59.5000111.2R175 D177I155-R175 HydrophobicContact CB-CG 4.36Å; I155-R175 PolarHBondContact N-O 3.33Å; I155-D177 HydrophobicContact CD1-CB 4.1Å; I155-D177 HydrophobicContact CG1-CB 4.22Å
156T90.9Very high91.9Very high45 Ų4563 Ų6328%0.27635%0.354SS..EExtended strand (participates in β ladder)trans-155.8125.217152.10000110.2R175T156-R175 PolarHBondContact N-O 2.95Å; T156-R175 PolarHBondContact O-N 3.45Å; T156-R175 WeakPolarHBondContact OG1-CB 3.46Å
157S93.8Very high91.7Very high22 Ų2261.2 Ų61.215%0.15434%0.344CS..EExtended strand (participates in β ladder)trans-94.1153.4157.365.80000110S141 E145 F173S141-S157 PolarHBondContact OG-OG 3.1Å; S141-S157 VanDerWaalsContact OG-OG 3.05Å; E145-S157 VanDerWaalsContact OE2-CB 3.28Å; E145-S157 WeakPolarHBondContact OE2-CB 3.49Å; E145-S157 PolarHBondContact OE2-OG 3.17Å; S157-F173 CarbonylContact C-O 3.55Å
158R92.6Very high91.6Very high139 Ų13959.6 Ų59.653%0.52534%0.337SS..EExtended strand (participates in β ladder)trans-163.1149.215962.8178.4-171.5176.33.9111.6S141 G172 F173S141-R158 WeakPolarHBondContact OG-CA 3.38Å; R158-G172 CarbonylContact O-C 3.48Å; R158-G172 WeakPolarHBondContact O-CA 3.47Å; R158-F173 HydrophobicContact CG-CB 4Å; R158-F173 HydrophobicContact CG-CD2 4.4Å; R158-F173 PolarHBondContact N-O 3.1Å; R158-F173 PolarHBondContact O-N 2.87Å
159I94Very high91.5Very high28 Ų2865.2 Ų65.214%0.14436%0.361CS..EExtended strand (participates in β ladder)trans-101.6141.2167.5-67.6178.4000109.4L135 M139 T140 L144 S168L135-I159 HydrophobicContact CD1-CD1 4.48Å; L135-I159 HydrophobicContact CD1-CG1 4.34Å; M139-I159 HydrophobicContact CB-CD1 4.02Å; M139-I159 HydrophobicContact CG-CD1 3.95Å; M139-I159 WeakPolarHBondContact O-CD1 3.32Å; T140-I159 VanDerWaalsContact C-CD1 3.44Å; T140-I159 WeakPolarHBondContact O-CD1 3.32Å; L144-I159 HydrophobicContact CB-CD1 4.39Å; L144-I159 HydrophobicContact CD2-CG1 3.86Å; I159-S168 WeakPolarHBondContact CG2-OG 3.37Å
160L92.3Very high91.4Very high75 Ų7563.2 Ų63.239%0.39335%0.345SS..EExtended strand (participates in β ladder)trans-86109.5175.4-178.465.7000109K169 V171L160-K169 HydrophobicContact CD2-CD 4.08Å; L160-K169 HydrophobicContact CG-CD 3.98Å; L160-K169 HydrophobicContact CG-CG 4.42Å; L160-K169 WeakPolarHBondContact O-CB 3.48Å; L160-K169 WeakPolarHBondContact O-CG 3.39Å; L160-K169 PolarHBondContact O-N 3.2Å; L160-V171 HydrophobicContact CB-CB 4.22Å; L160-V171 HydrophobicContact CB-CG1 4.16Å; L160-V171 WeakPolarHBondContact CB-O 3.26Å; L160-V171 HydrophobicContact CD2-CB 4.4Å; L160-V171 HydrophobicContact CD2-CG1 4.12Å; L160-V171 PolarHBondContact N-O 2.85Å
161T92.1Very high91.3Very high69 Ų6958.9 Ų58.942%0.42332%0.317SS..EExtended strand (participates in β ladder)trans-91.2157169.551.90000111.1G166 I167T161-G166 WeakPolarHBondContact CB-O 3.41Å; T161-G166 WeakPolarHBondContact CG2-O 3.28Å; T161-I167 CarbonylContact C-O 3.5Å; T161-I167 WeakPolarHBondContact CA-O 3.11Å
162D88.8Confident91.3Very high44 Ų4457 Ų5724%0.23531%0.309CS..  trans-74.4134.2164.2173.644.6000110.1A164 T165 G166 I167 K169D162-A164 VanDerWaalsContact C-N 3.32Å; D162-A164 PolarHBondContact O-N 3.28Å; D162-T165 WeakPolarHBondContact CB-OG1 3.38Å; D162-T165 WeakPolarHBondContact OD2-CB 3.16Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D162-T165 PolarHBondContact OD2-N 3.45Å; D162-T165 PolarHBondContact OD2-OG1 3.38Å; D162-G166 WeakPolarHBondContact O-CA 3.27Å; D162-G166 PolarHBondContact O-N 3.37Å; D162-I167 PolarHBondContact N-O 3.38Å; D162-K169 HydrophobicContact CB-CD 4.29Å; D162-K169 HydrophobicContact CB-CG 4.2Å
163Q84.2Confident91.4Very high141 Ų14157.9 Ų57.966%0.65931%0.307SS*.THydrogen-bonded Turntrans-75.7-21.6-175.3-66.1179.230.800112.9
164A86.6Confident91.5Very high32 Ų3251.6 Ų51.626%0.26428%0.28SS..THydrogen-bonded Turntrans-81.8-44.8179.400000111.9D162 P279D162-A164 VanDerWaalsContact C-N 3.32Å; D162-A164 PolarHBondContact O-N 3.28Å; A164-P279 HydrophobicContact CB-CB 3.85Å; A164-P279 HydrophobicContact CB-CG 3.96Å
165T89.6Confident91.5Very high86 Ų8654.4 Ų54.453%0.52829%0.289SS..THydrogen-bonded Turntrans-104.1-14.4-171.859.40000114.2D162 I167D162-T165 WeakPolarHBondContact CB-OG1 3.38Å; D162-T165 WeakPolarHBondContact OD2-CB 3.16Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D162-T165 PolarHBondContact OD2-N 3.45Å; D162-T165 PolarHBondContact OD2-OG1 3.38Å; T165-I167 HydrophobicContact CG2-CD1 4.43Å; T165-I167 PolarHBondContact O-N 2.98Å; T165-I167 PolarHBondContact OG1-N 2.93Å
166G86.6Confident91.7Very high51 Ų5152.1 Ų52.153%0.52628%0.277SS..  trans73.1-6.7-170.800000114.5T161 D162T161-G166 WeakPolarHBondContact CB-O 3.41Å; T161-G166 WeakPolarHBondContact CG2-O 3.28Å; D162-G166 WeakPolarHBondContact O-CA 3.27Å; D162-G166 PolarHBondContact O-N 3.37Å
167I88Confident91.7Very high92 Ų9251.5 Ų51.547%0.47227%0.272SS..  trans-72137.2-172.3-60.5170.6000110.5K137 T161 D162 T165 K169K137-I167 HydrophobicContact CD-CG2 4.28Å; T161-I167 CarbonylContact C-O 3.5Å; T161-I167 WeakPolarHBondContact CA-O 3.11Å; D162-I167 PolarHBondContact N-O 3.38Å; T165-I167 HydrophobicContact CG2-CD1 4.43Å; T165-I167 PolarHBondContact O-N 2.98Å; T165-I167 PolarHBondContact OG1-N 2.93Å; I167-K169 PolarHBondContact O-N 3.42Å
168S91.2Very high91.7Very high9 Ų956.8 Ų56.86%0.06329%0.289CS..EExtended strand (participates in β ladder)trans-57.3130.9172.3174.10000111.4K137 I159 G170K137-S168 WeakPolarHBondContact O-CB 3.25Å; I159-S168 WeakPolarHBondContact CG2-OG 3.37Å; S168-G170 PolarHBondContact O-N 3.45Å; S168-G170 PolarHBondContact OG-N 3.33Å
169K92.1Very high91.7Very high117 Ų11754.1 Ų54.151%0.50928%0.279SS..EExtended strand (participates in β ladder)trans-81.89.3177-52.8-17078.3159.10112.8L160 D162 I167 V171L160-K169 HydrophobicContact CD2-CD 4.08Å; L160-K169 HydrophobicContact CG-CD 3.98Å; L160-K169 HydrophobicContact CG-CG 4.42Å; L160-K169 WeakPolarHBondContact O-CB 3.48Å; L160-K169 WeakPolarHBondContact O-CG 3.39Å; L160-K169 PolarHBondContact O-N 3.2Å; D162-K169 HydrophobicContact CB-CD 4.29Å; D162-K169 HydrophobicContact CB-CG 4.2Å; I167-K169 PolarHBondContact O-N 3.42Å; K169-V171 PolarHBondContact O-N 2.88Å
170G91.9Very high91.8Very high8 Ų856.8 Ų56.88%0.08229%0.293CS..EExtended strand (participates in β ladder)trans68.117-174.300000114N133 G134 L135 S168N133-G170 CarbonylContact C-O 3.57Å; N133-G170 PolarHBondContact OD1-O 3.46Å; G134-G170 PolarHBondContact N-O 3.21Å; G134-G170 VanDerWaalsContact N-O 3.09Å; L135-G170 PolarHBondContact N-O 2.93Å; L135-G170 VanDerWaalsContact O-CA 3.26Å; L135-G170 WeakPolarHBondContact O-CA 3.36Å; S168-G170 PolarHBondContact O-N 3.45Å; S168-G170 PolarHBondContact OG-N 3.33Å
171V94Very high91.9Very high13 Ų1354.9 Ų54.98%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-123.5132.7-173.4168.30000110.1Y131 I132 N133 L160 K169 F173Y131-V171 HydrophobicContact CD2-CG1 4.08Å; Y131-V171 HydrophobicContact CE2-CG1 3.41Å; Y131-V171 VanDerWaalsContact CE2-CG1 3.41Å; Y131-V171 HydrophobicContact CE2-CG2 4.42Å; I132-V171 CarbonylContact O-C 3.57Å; I132-V171 VanDerWaalsContact O-CA 3.27Å; I132-V171 WeakPolarHBondContact O-CA 3.46Å; N133-V171 HydrophobicContact CB-CG2 4.48Å; N133-V171 WeakPolarHBondContact OD1-CG2 3.3Å; L160-V171 HydrophobicContact CB-CB 4.22Å; L160-V171 HydrophobicContact CB-CG1 4.16Å; L160-V171 WeakPolarHBondContact CB-O 3.26Å; L160-V171 HydrophobicContact CD2-CB 4.4Å; L160-V171 HydrophobicContact CD2-CG1 4.12Å; L160-V171 PolarHBondContact N-O 2.85Å; K169-V171 PolarHBondContact O-N 2.88Å; V171-F173 HydrophobicContact CG1-CE2 4.19Å
172G95Very high92.1Very high0 Ų051.6 Ų51.60%026%0.262CS..EExtended strand (participates in β ladder)trans-126.6164.1178.400000113I132 R158I132-G172 PolarHBondContact N-O 2.93Å; I132-G172 PolarHBondContact O-N 3.23Å; R158-G172 CarbonylContact O-C 3.48Å; R158-G172 WeakPolarHBondContact O-CA 3.47Å
173F95.7Very high92.4Very high38 Ų3852.4 Ų52.417%0.16727%0.265CS..EExtended strand (participates in β ladder)trans-132.6131168.9-64.8-92.4000109.5L130 Y131 S157 R158 V171 A206L130-F173 VanDerWaalsContact O-CA 3.3Å; L130-F173 WeakPolarHBondContact O-CA 3.34Å; Y131-F173 AromaticContact CD2-CE1 3.78Å; Y131-F173 HydrophobicContact CD2-CE1 3.78Å; Y131-F173 AromaticContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CE2-CZ 4.37Å; S157-F173 CarbonylContact C-O 3.55Å; R158-F173 HydrophobicContact CG-CB 4Å; R158-F173 HydrophobicContact CG-CD2 4.4Å; R158-F173 PolarHBondContact N-O 3.1Å; R158-F173 PolarHBondContact O-N 2.87Å; V171-F173 HydrophobicContact CG1-CE2 4.19Å; F173-A206 HydrophobicContact CD1-CB 4.19Å; F173-A206 HydrophobicContact CE1-CB 4.23Å
174V96Very high93Very high0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-127.2124.3174.5176.60000108.1L130 I132 L144 F148 I154 F176L130-V174 WeakPolarHBondContact CB-O 3.45Å; L130-V174 PolarHBondContact N-O 2.95Å; L130-V174 PolarHBondContact O-N 2.93Å; I132-V174 HydrophobicContact CD1-CB 4.07Å; I132-V174 HydrophobicContact CD1-CG2 3.83Å; L144-V174 HydrophobicContact CD1-CG2 4.21Å; L144-V174 HydrophobicContact CD2-CG2 3.83Å; L144-V174 HydrophobicContact CG-CG2 3.79Å; F148-V174 HydrophobicContact CB-CG1 4.05Å; F148-V174 HydrophobicContact CB-CG2 4.37Å; F148-V174 HydrophobicContact CD1-CB 4.45Å; F148-V174 HydrophobicContact CD1-CG1 4.31Å; F148-V174 HydrophobicContact CD1-CG2 4.44Å; F148-V174 HydrophobicContact CD2-CG2 3.99Å; F148-V174 HydrophobicContact CE2-CG2 4.38Å; F148-V174 HydrophobicContact CG-CB 4.43Å; F148-V174 HydrophobicContact CG-CG1 4.23Å; F148-V174 HydrophobicContact CG-CG2 4.02Å; I154-V174 HydrophobicContact CD1-CG1 4.02Å; I154-V174 HydrophobicContact CG1-CG1 3.94Å; I154-V174 HydrophobicContact CG2-CG1 4.24Å; V174-F176 HydrophobicContact CG1-CD2 4.2Å; V174-F176 HydrophobicContact CG1-CE2 3.87Å; V174-F176 HydrophobicContact CG1-CZ 4.2Å
175R94.3Very high93.4Very high85 Ų8547.8 Ų47.832%0.32124%0.24SC..EExtended strand (participates in β ladder)trans-106.4119173.3-174.7-176.9178.1179.70.7109.4A128 N129 I155 T156A128-R175 WeakPolarHBondContact O-CA 3.44Å; N129-R175 HydrophobicContact CB-CG 4.49Å; I155-R175 HydrophobicContact CB-CG 4.36Å; I155-R175 PolarHBondContact N-O 3.33Å; T156-R175 PolarHBondContact N-O 2.95Å; T156-R175 PolarHBondContact O-N 3.45Å; T156-R175 WeakPolarHBondContact OG1-CB 3.46Å
176F95.2Very high93.7Very high0 Ų045.1 Ų45.10%022%0.222CC..EExtended strand (participates in β ladder)trans-82.7167171.9-76-80.3000112.2A128 L130 F148 F151 G152 K153 I154 V174 E181 A182 A185A128-F176 HydrophobicContact CB-CB 4.43Å; A128-F176 PolarHBondContact O-N 2.89Å; L130-F176 HydrophobicContact CD1-CD2 4.06Å; L130-F176 HydrophobicContact CD1-CE2 3.69Å; L130-F176 HydrophobicContact CG-CD2 4.46Å; F148-F176 HydrophobicContact CB-CZ 3.97Å; F148-F176 AromaticContact CD1-CE2 3.89Å; F148-F176 HydrophobicContact CD1-CE2 3.89Å; F148-F176 AromaticContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CG-CZ 4.43Å; F148-F176 WeakPolarHBondContact O-CE1 3.26Å; F148-F176 WeakPolarHBondContact O-CZ 3.32Å; F151-F176 HydrophobicContact CB-CE1 4.29Å; F151-F176 HydrophobicContact CB-CZ 4.09Å; G152-F176 WeakPolarHBondContact O-CE1 3.39Å; K153-F176 CarbonylContact O-C 3.45Å; K153-F176 WeakPolarHBondContact O-CA 3.05Å; I154-F176 HydrophobicContact CG1-CD1 4.17Å; I154-F176 HydrophobicContact CG1-CE1 3.87Å; I154-F176 HydrophobicContact CG1-CZ 4.42Å; V174-F176 HydrophobicContact CG1-CD2 4.2Å; V174-F176 HydrophobicContact CG1-CE2 3.87Å; V174-F176 HydrophobicContact CG1-CZ 4.2Å; F176-E181 HydrophobicContact CB-CB 4.03Å; F176-E181 HydrophobicContact CD1-CB 3.84Å; F176-E181 HydrophobicContact CG-CB 3.99Å; F176-A182 HydrophobicContact CB-CB 4.28Å; F176-A182 HydrophobicContact CD2-CB 3.75Å; F176-A182 HydrophobicContact CG-CB 4.35Å; F176-A185 HydrophobicContact CE2-CB 3.64Å; F176-A185 HydrophobicContact CZ-CB 3.82Å
177D91.6Very high94.1Very high32 Ų3250 Ų5017%0.17123%0.231CC..SBendtrans-64-52.2170.8-170.982.8000108.7R119 K153 I155 E181R119-D177 VanDerWaalsContact CZ-CG 3.44Å; R119-D177 IonicContact CZ-OD1 3.04Å; R119-D177 IonicContact CZ-OD2 3.29Å; R119-D177 IonicContact NE-OD1 3.58Å; R119-D177 PolarHBondContact NE-OD1 3.47Å; R119-D177 PolarHBondContact NH1-O 3.49Å; R119-D177 IonicContact NH1-OD1 3.92Å; R119-D177 VanDerWaalsContact NH2-C 3.3Å; R119-D177 PolarHBondContact NH2-O 2.81Å; R119-D177 IonicContact NH2-OD1 3.8Å; R119-D177 PolarHBondContact NH2-OD1 3.03Å; R119-D177 IonicContact NH2-OD2 2.64Å; R119-D177 PolarHBondContact NH2-OD2 2.98Å; K153-D177 HydrophobicContact CB-CB 3.97Å; K153-D177 HydrophobicContact CG-CB 4.4Å; K153-D177 PolarHBondContact O-N 3.09Å; I155-D177 HydrophobicContact CD1-CB 4.1Å; I155-D177 HydrophobicContact CG1-CB 4.22Å; D177-E181 WeakPolarHBondContact CB-OE2 3.49Å; D177-E181 PolarHBondContact N-OE2 2.79Å
178R93.4Very high94.4Very high134 Ų13452.7 Ų52.751%0.50624%0.24SC..SBendtrans-117.2153.2-173.7-52.5-178.7-179.1-172.6-0.5112.3M124 A128 E181 A182M124-R178 CarbonylContact O-C 3.57Å; M124-R178 WeakPolarHBondContact O-CA 3.4Å; A128-R178 WeakPolarHBondContact CB-O 3.5Å; R178-E181 HydrophobicContact CB-CG 4.12Å; R178-E181 PolarHBondContact N-OE2 3.24Å; R178-E181 PolarHBondContact O-N 3.39Å; R178-A182 PolarHBondContact O-N 3.43Å
179R93.8Very high94.5Very high82 Ų8253.1 Ų53.131%0.30924%0.241SC..Hα-helixtrans-61.4-43.5175.6-178.1174.5174.673.715112.2M124 E181 A182 E183 F205M124-R179 PolarHBondContact O-N 3.33Å; R179-E181 VanDerWaalsContact C-N 3.29Å; R179-E181 PolarHBondContact O-N 3Å; R179-A182 CarbonylContact O-C 3.56Å; R179-A182 WeakPolarHBondContact O-CA 3.28Å; R179-A182 VanDerWaalsContact O-CB 3.31Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 3.27Å; R179-E183 HydrophobicContact CG-CG 4.37Å; R179-E183 IonicContact CZ-OE1 2.74Å; R179-E183 IonicContact NE-OE1 3.96Å; R179-E183 PolarHBondContact NE-OE1 3.48Å; R179-E183 IonicContact NH2-OE1 2.8Å; R179-E183 PolarHBondContact NH2-OE1 3.35Å; R179-E183 PolarHBondContact O-N 3.3Å; R179-F205 HydrophobicContact CG-CZ 4.5Å; R179-F205 VanDerWaalsContact CZ-CZ 3.43Å; R179-F205 VanDerWaalsContact NH1-CE1 3.27Å
180N94.6Very high94.6Very high85 Ų8551.4 Ų51.446%0.45524%0.237SC..Hα-helixtrans-62.8-34.9-177.4-53.733.2000112.2A182 E183 N184N180-A182 VanDerWaalsContact C-N 3.33Å; N180-E183 PolarHBondContact O-N 3.22Å; N180-N184 PolarHBondContact O-N 3.35Å; N180-N184 PolarHBondContact O-ND2 3.31Å; N180-N184 PolarHBondContact O-OD1 2.96Å
181E95.5Very high94.6Very high34 Ų3453.1 Ų53.116%0.15926%0.255CS..Hα-helixtrans-62.6-42.2172.8-63.5171.7135.300111F151 G152 K153 F176 D177 R178 R179 N184 A185F151-E181 WeakPolarHBondContact O-CB 3.44Å; G152-E181 VanDerWaalsContact CA-OE1 3.24Å; G152-E181 WeakPolarHBondContact CA-OE1 3.33Å; K153-E181 PolarHBondContact N-OE1 3.47Å; F176-E181 HydrophobicContact CB-CB 4.03Å; F176-E181 HydrophobicContact CD1-CB 3.84Å; F176-E181 HydrophobicContact CG-CB 3.99Å; D177-E181 WeakPolarHBondContact CB-OE2 3.49Å; D177-E181 PolarHBondContact N-OE2 2.79Å; R178-E181 HydrophobicContact CB-CG 4.12Å; R178-E181 PolarHBondContact N-OE2 3.24Å; R178-E181 PolarHBondContact O-N 3.39Å; R179-E181 VanDerWaalsContact C-N 3.29Å; R179-E181 PolarHBondContact O-N 3Å; E181-N184 PolarHBondContact O-N 3.08Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.01Å
182A95.6Very high94.4Very high0 Ų054.2 Ų54.20%026%0.263CS..Hα-helixtrans-67.5-32.7175.700000112.8A128 L130 F176 R178 R179 N180 I186 F205A128-A182 HydrophobicContact CB-CB 4.49Å; L130-A182 HydrophobicContact CD1-CB 4.33Å; L130-A182 HydrophobicContact CD2-CB 3.91Å; L130-A182 HydrophobicContact CG-CB 4.11Å; F176-A182 HydrophobicContact CB-CB 4.28Å; F176-A182 HydrophobicContact CD2-CB 3.75Å; F176-A182 HydrophobicContact CG-CB 4.35Å; R178-A182 PolarHBondContact O-N 3.43Å; R179-A182 CarbonylContact O-C 3.56Å; R179-A182 WeakPolarHBondContact O-CA 3.28Å; R179-A182 VanDerWaalsContact O-CB 3.31Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 3.27Å; N180-A182 VanDerWaalsContact C-N 3.33Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.19Å; A182-I186 PolarHBondContact O-N 3.11Å; A182-F205 HydrophobicContact CB-CE1 4.15Å
183E95.9Very high94.1Very high62 Ų6258.2 Ų58.229%0.2929%0.288SS..Hα-helixtrans-67.3-50.4173.5-69.2173.9161.800110.5R179 N180 A185 I186 E187 F205R179-E183 HydrophobicContact CG-CG 4.37Å; R179-E183 IonicContact CZ-OE1 2.74Å; R179-E183 IonicContact NE-OE1 3.96Å; R179-E183 PolarHBondContact NE-OE1 3.48Å; R179-E183 IonicContact NH2-OE1 2.8Å; R179-E183 PolarHBondContact NH2-OE1 3.35Å; R179-E183 PolarHBondContact O-N 3.3Å; N180-E183 PolarHBondContact O-N 3.22Å; E183-A185 PolarHBondContact O-N 2.83Å; E183-I186 PolarHBondContact O-N 3.07Å; E183-E187 PolarHBondContact O-N 2.96Å; E183-F205 HydrophobicContact CG-CE2 4.16Å; E183-F205 HydrophobicContact CG-CZ 3.56Å
184N96Very high93.4Very high75 Ų7556.7 Ų56.740%0.40128%0.282SS..Hα-helixtrans-55.6-38.1174.4-66.7-15.1000112.9N180 E181 K188N180-N184 PolarHBondContact O-N 3.35Å; N180-N184 PolarHBondContact O-ND2 3.31Å; N180-N184 PolarHBondContact O-OD1 2.96Å; E181-N184 PolarHBondContact O-N 3.08Å; N184-K188 PolarHBondContact O-N 2.89Å
185A96.2Very high92.7Very high0 Ų061.4 Ų61.40%032%0.32CS..Hα-helixtrans-69.7-40176.600000112.5L130 F148 F151 F176 E181 E183 L189L130-A185 HydrophobicContact CD1-CB 4Å; F148-A185 HydrophobicContact CD1-CB 4.05Å; F148-A185 HydrophobicContact CE1-CB 4.2Å; F151-A185 HydrophobicContact CB-CB 3.73Å; F151-A185 HydrophobicContact CD2-CB 4.22Å; F151-A185 HydrophobicContact CG-CB 3.9Å; F176-A185 HydrophobicContact CE2-CB 3.64Å; F176-A185 HydrophobicContact CZ-CB 3.82Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.01Å; E183-A185 PolarHBondContact O-N 2.83Å; A185-L189 VanDerWaalsContact O-CB 3.31Å; A185-L189 WeakPolarHBondContact O-CB 3.36Å; A185-L189 PolarHBondContact O-N 3.31Å
186I95.8Very high91.8Very high31 Ų3161 Ų6116%0.15934%0.343CS..Hα-helixtrans-60.9-51.2173.5-70.1161.6000109.8L130 A182 E183 K188 N190 V203 F205L130-I186 HydrophobicContact CD1-CG1 4.38Å; L130-I186 HydrophobicContact CD2-CD1 3.55Å; L130-I186 HydrophobicContact CD2-CG1 3.67Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.19Å; A182-I186 PolarHBondContact O-N 3.11Å; E183-I186 PolarHBondContact O-N 3.07Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 3.3Å; I186-N190 HydrophobicContact CG2-CB 4.32Å; I186-N190 WeakPolarHBondContact O-CB 3.48Å; I186-N190 PolarHBondContact O-N 3.42Å; I186-V203 HydrophobicContact CG1-CG1 3.9Å; I186-F205 HydrophobicContact CD1-CD1 4.36Å; I186-F205 HydrophobicContact CD1-CD2 3.74Å; I186-F205 HydrophobicContact CD1-CE1 4.12Å; I186-F205 HydrophobicContact CD1-CE2 3.44Å; I186-F205 VanDerWaalsContact CD1-CE2 3.44Å; I186-F205 HydrophobicContact CD1-CG 4.18Å; I186-F205 HydrophobicContact CD1-CZ 3.65Å
187E95.4Very high91Very high153 Ų15362.4 Ų62.472%0.71535%0.353SS*.Hα-helixtrans-59.3-34.6-175-71.8179.6178.600113.5E183E183-E187 PolarHBondContact O-N 2.96Å
188K93.8Very high90.5Very high149 Ų14967.6 Ų67.665%0.64839%0.386SS*.Hα-helixtrans-97.5-27.1-174.4-67.3177.5178.11800114.7F151 N184 I186F151-K188 HydrophobicContact CD1-CB 4.36Å; F151-K188 HydrophobicContact CD1-CD 4.02Å; F151-K188 HydrophobicContact CE1-CB 3.58Å; F151-K188 HydrophobicContact CE1-CD 3.55Å; F151-K188 HydrophobicContact CE1-CG 4.18Å; F151-K188 HydrophobicContact CZ-CB 4.17Å; N184-K188 PolarHBondContact O-N 2.89Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 3.3Å
189L93.7Very high90Very high18 Ų1867.4 Ų67.49%0.09439%0.391CS..Hα-helixtrans-104.3-21.2-178.6-64.9177.1000114.3F148 F151 A185 G191 S192 M201 V203F148-L189 HydrophobicContact CD1-CD1 3.63Å; F148-L189 HydrophobicContact CD2-CD1 4.04Å; F148-L189 HydrophobicContact CE1-CD1 3.43Å; F148-L189 VanDerWaalsContact CE1-CD1 3.43Å; F148-L189 HydrophobicContact CE2-CD1 3.86Å; F148-L189 HydrophobicContact CG-CD1 3.94Å; F148-L189 HydrophobicContact CZ-CD1 3.54Å; F151-L189 HydrophobicContact CD2-CD1 3.97Å; F151-L189 HydrophobicContact CD2-CG 4.43Å; F151-L189 HydrophobicContact CE2-CD1 3.49Å; F151-L189 VanDerWaalsContact CE2-CD1 3.49Å; F151-L189 HydrophobicContact CE2-CD2 3.9Å; F151-L189 HydrophobicContact CE2-CG 3.65Å; F151-L189 HydrophobicContact CZ-CD1 4.15Å; F151-L189 HydrophobicContact CZ-CD2 3.88Å; F151-L189 HydrophobicContact CZ-CG 3.78Å; A185-L189 VanDerWaalsContact O-CB 3.31Å; A185-L189 WeakPolarHBondContact O-CB 3.36Å; A185-L189 PolarHBondContact O-N 3.31Å; L189-G191 PolarHBondContact O-N 3.36Å; L189-S192 WeakPolarHBondContact O-CB 3.08Å; L189-S192 PolarHBondContact O-N 3Å; L189-S192 PolarHBondContact O-OG 2.81Å; L189-M201 HydrophobicContact CB-SD 4.15Å; L189-M201 WeakPolarHBondContact O-CG 3.46Å; L189-V203 HydrophobicContact CB-CG2 4.02Å
190N92.8Very high89.9Confident80 Ų8066 Ų6643%0.42839%0.392SS..THydrogen-bonded Turntrans-67119.3179.5-176.353.2000110.9I186 W202 V203I186-N190 HydrophobicContact CG2-CB 4.32Å; I186-N190 WeakPolarHBondContact O-CB 3.48Å; I186-N190 PolarHBondContact O-N 3.42Å; N190-W202 WeakPolarHBondContact OD1-CA 3.31Å; N190-V203 HydrophobicContact CB-CB 4.12Å; N190-V203 PolarHBondContact OD1-N 3.17Å; N190-V203 PolarHBondContact OD1-O 3.39Å
191G91.5Very high89.8Confident44 Ų4462 Ų6245%0.45437%0.371SS..THydrogen-bonded Turntrans90.5-6.9-173.400000114.5L189 P200 M201L189-G191 PolarHBondContact O-N 3.36Å; G191-P200 WeakPolarHBondContact O-CB 3.24Å; G191-M201 PolarHBondContact N-O 2.99Å
192S90.5Very high89.7Confident36 Ų3667.6 Ų67.625%0.25239%0.39SS..  trans-71.7150.4173.670.40000111.7L189 P200 M201L189-S192 WeakPolarHBondContact O-CB 3.08Å; L189-S192 PolarHBondContact O-N 3Å; L189-S192 PolarHBondContact O-OG 2.81Å; S192-P200 CarbonylContact O-C 3.59Å; S192-P200 WeakPolarHBondContact O-CA 3.37Å; S192-M201 WeakPolarHBondContact O-CG 3.48Å; S192-M201 PolarHBondContact O-N 3.14Å; S192-M201 VanDerWaalsContact OG-CE 3.3Å; S192-M201 WeakPolarHBondContact OG-CE 3.34Å
193V88.6Confident89.7Confident85 Ų8567.7 Ų67.752%0.51539%0.391SS..  trans-97.8115.8177.1-176.60000109S197 P200V193-S197 WeakPolarHBondContact CG1-O 3.45Å; V193-P200 HydrophobicContact CG2-CB 4.28Å
194P81.5Confident89.7Confident6 Ų670.6 Ų70.64%0.03940%0.403CS..  trans-68.8150.9176.323.8-27.2000111.3P136 M147 G196 S197 M201P136-P194 HydrophobicContact CG-CB 4.23Å; P136-P194 HydrophobicContact CG-CG 4.12Å; M147-P194 HydrophobicContact SD-CB 4.34Å; P194-G196 PolarHBondContact O-N 2.87Å; P194-S197 WeakPolarHBondContact O-CB 3.3Å; P194-S197 PolarHBondContact O-N 3.4Å; P194-M201 HydrophobicContact CB-CE 3.63Å; P194-M201 HydrophobicContact CG-CE 3.78Å
195A80.7Confident89.6Confident98 Ų9870.3 Ų70.381%0.8140%0.398SS*.THydrogen-bonded Turntrans-54.8128.7175.200000110.9P136P136-A195 WeakPolarHBondContact CG-O 3.4Å
196G76Confident89.5Confident78 Ų7871.3 Ų71.380%0.80441%0.406SS*.THydrogen-bonded Turntrans83.43.3-176.400000115.7P194P194-G196 PolarHBondContact O-N 2.87Å
197S78.4Confident89Confident29 Ų2975.8 Ų75.820%0.20343%0.431CS..  trans-105.5151.6167.3-1710000111.6V193 P194 E199V193-S197 WeakPolarHBondContact CG1-O 3.45Å; P194-S197 WeakPolarHBondContact O-CB 3.3Å; P194-S197 PolarHBondContact O-N 3.4Å; S197-E199 PolarHBondContact OG-N 2.82Å; S197-E199 PolarHBondContact OG-O 2.78Å
198T80.8Confident87.9Confident141 Ų14173.3 Ų73.387%0.86542%0.422SS*.SBendtrans-97.8-15.9161.448.50000112.4
199E83.8Confident86.4Confident129 Ų12970.9 Ų70.960%0.60342%0.422SS*.SBendtrans-97.5141-179.5-63.4-174.8168.600111.2S197S197-E199 PolarHBondContact OG-N 2.82Å; S197-E199 PolarHBondContact OG-O 2.78Å
200P90.5Very high84.6Confident53 Ų5373.7 Ų73.734%0.34444%0.439SS..PPolyproline II helixtrans-71.3143.1175.430.7-35000111.3G191 S192 V193G191-P200 WeakPolarHBondContact O-CB 3.24Å; S192-P200 CarbonylContact O-C 3.59Å; S192-P200 WeakPolarHBondContact O-CA 3.37Å; V193-P200 HydrophobicContact CG2-CB 4.28Å
201M92.6Very high82.5Confident1 Ų171.9 Ų71.91%0.00544%0.436CS..PPolyproline II helixtrans-78.1141.8174.979.5-178.574.700111.4I132 N133 M147 L189 G191 S192 P194 V203I132-M201 HydrophobicContact CG2-CB 4.39Å; I132-M201 HydrophobicContact CG2-SD 4.42Å; N133-M201 CarbonylContact O-C 3.27Å; N133-M201 WeakPolarHBondContact O-CA 3.37Å; N133-M201 WeakPolarHBondContact O-CB 3.43Å; M147-M201 HydrophobicContact CE-CE 3.59Å; M147-M201 HydrophobicContact CE-SD 3.76Å; M147-M201 HydrophobicContact SD-CE 3.71Å; L189-M201 HydrophobicContact CB-SD 4.15Å; L189-M201 WeakPolarHBondContact O-CG 3.46Å; G191-M201 PolarHBondContact N-O 2.99Å; S192-M201 WeakPolarHBondContact O-CG 3.48Å; S192-M201 PolarHBondContact O-N 3.14Å; S192-M201 VanDerWaalsContact OG-CE 3.3Å; S192-M201 WeakPolarHBondContact OG-CE 3.34Å; P194-M201 HydrophobicContact CB-CE 3.63Å; P194-M201 HydrophobicContact CG-CE 3.78Å; M201-V203 HydrophobicContact CG-CG2 3.91Å; M201-V203 HydrophobicContact SD-CG2 3.93Å
202W93.4Very high80.1Confident151 Ų15171.4 Ų71.457%0.57243%0.431SS*.EExtended strand (participates in β ladder)trans-104.8118.8170-67.8-51.3000110.6I132 N133 N190I132-W202 CarbonylContact C-O 3.55Å; I132-W202 WeakPolarHBondContact CA-O 3.47Å; N133-W202 PolarHBondContact N-O 3.43Å; N133-W202 PolarHBondContact O-N 3.34Å; N190-W202 WeakPolarHBondContact OD1-CA 3.31Å
203V96Very high78Confident2 Ų274 Ų741%0.01245%0.449CS..EExtended strand (participates in β ladder)trans-112.7125180-170.20000108.7L130 I132 F148 I186 L189 N190 M201L130-V203 HydrophobicContact CB-CG1 4.41Å; L130-V203 HydrophobicContact CD1-CG1 3.79Å; I132-V203 HydrophobicContact CG1-CG1 4.41Å; I132-V203 HydrophobicContact CG1-CG2 4.49Å; I132-V203 HydrophobicContact CG2-CG2 4.32Å; F148-V203 HydrophobicContact CE1-CG1 3.98Å; F148-V203 HydrophobicContact CZ-CG1 4.11Å; F148-V203 HydrophobicContact CZ-CG2 3.99Å; I186-V203 HydrophobicContact CG1-CG1 3.9Å; L189-V203 HydrophobicContact CB-CG2 4.02Å; N190-V203 HydrophobicContact CB-CB 4.12Å; N190-V203 PolarHBondContact OD1-N 3.17Å; N190-V203 PolarHBondContact OD1-O 3.39Å; M201-V203 HydrophobicContact CG-CG2 3.91Å; M201-V203 HydrophobicContact SD-CG2 3.93Å
204K95Very high75.8Confident124 Ų12475 Ų7554%0.53945%0.448SS..EExtended strand (participates in β ladder)trans-150.1168.3177.465.2-179.6179.5-171.80111.7L130 Y131 A206L130-K204 CarbonylContact C-O 3.53Å; L130-K204 WeakPolarHBondContact CA-O 3.32Å; Y131-K204 HydrophobicContact CD1-CD 4.38Å; Y131-K204 HydrophobicContact CD1-CG 4.03Å; Y131-K204 PolarHBondContact N-O 3.45Å; Y131-K204 PolarHBondContact O-N 3.21Å; K204-A206 PolarHBondContact O-N 3.19Å
205F95.3Very high73.9Confident69 Ų6982.9 Ų82.930%0.30348%0.482SS..EExtended strand (participates in β ladder)trans-59.1129.8168.7-71.7-67.4000112G127 L130 R179 A182 E183 I186G127-F205 WeakPolarHBondContact O-CD1 3.21Å; G127-F205 WeakPolarHBondContact O-CE1 3.3Å; L130-F205 HydrophobicContact CD2-CD1 4.09Å; L130-F205 HydrophobicContact CD2-CE1 4.17Å; R179-F205 HydrophobicContact CG-CZ 4.5Å; R179-F205 VanDerWaalsContact CZ-CZ 3.43Å; R179-F205 VanDerWaalsContact NH1-CE1 3.27Å; A182-F205 HydrophobicContact CB-CE1 4.15Å; E183-F205 HydrophobicContact CG-CE2 4.16Å; E183-F205 HydrophobicContact CG-CZ 3.56Å; I186-F205 HydrophobicContact CD1-CD1 4.36Å; I186-F205 HydrophobicContact CD1-CD2 3.74Å; I186-F205 HydrophobicContact CD1-CE1 4.12Å; I186-F205 HydrophobicContact CD1-CE2 3.44Å; I186-F205 VanDerWaalsContact CD1-CE2 3.44Å; I186-F205 HydrophobicContact CD1-CG 4.18Å; I186-F205 HydrophobicContact CD1-CZ 3.65Å
206A92.4Very high72.2Confident20 Ų2081.8 Ų81.817%0.16547%0.473CS..PPolyproline II helixtrans-73136.5174.900000110.6N129 F173 K204 N208N129-A206 HydrophobicContact CB-CB 4.31Å; N129-A206 WeakPolarHBondContact ND2-CB 3.49Å; N129-A206 WeakPolarHBondContact O-CB 3.19Å; N129-A206 PolarHBondContact O-N 3.3Å; F173-A206 HydrophobicContact CD1-CB 4.19Å; F173-A206 HydrophobicContact CE1-CB 4.23Å; K204-A206 PolarHBondContact O-N 3.19Å; A206-N208 PolarHBondContact O-N 3.37Å
207N86.6Confident70.6Confident126 Ų12684.6 Ų84.667%0.67447%0.47SS*.PPolyproline II helixtrans-65.1133.7168.9-176.332.5000109.9P209N207-P209 WeakPolarHBondContact O-CD 3.47Å
208N72.2Confident69Low101 Ų10188 Ų8854%0.5449%0.489SS..PPolyproline II helixtrans-74118.1178.7-166.96.2000109.3A206 T210 A211A206-N208 PolarHBondContact O-N 3.37Å; N208-T210 PolarHBondContact ND2-OG1 3.3Å; N208-T210 PolarHBondContact O-N 2.61Å; N208-T210 VanDerWaalsContact O-N 3.11Å; N208-T210 PolarHBondContact OD1-OG1 3.4Å; N208-A211 WeakPolarHBondContact O-CB 3.46Å; N208-A211 PolarHBondContact O-N 2.86Å
209P62.2Low67.2Low98 Ų9885.3 Ų85.364%0.63648%0.481SS*.Hα-helixtrans-58.4-30.4-172.620-33.1000113.7N207 A211 G212N207-P209 WeakPolarHBondContact O-CD 3.47Å; P209-A211 VanDerWaalsContact C-N 3.26Å; P209-A211 PolarHBondContact O-N 3.08Å; P209-G212 PolarHBondContact O-N 2.91Å; P209-G212 VanDerWaalsContact O-N 3.08Å
210T55.8Low65.4Low76 Ų7686.3 Ų86.347%0.46649%0.489SS..Hα-helixtrans-63.1-26.4175.534.70000114.1L83 N208 G212L83-T210 HydrophobicContact CD2-CG2 4.5Å; N208-T210 PolarHBondContact ND2-OG1 3.3Å; N208-T210 PolarHBondContact O-N 2.61Å; N208-T210 VanDerWaalsContact O-N 3.11Å; N208-T210 PolarHBondContact OD1-OG1 3.4Å; T210-G212 VanDerWaalsContact C-N 3.34Å
211A48.5Very low63.2Low42 Ų4287.7 Ų87.735%0.34751%0.506SS..Hα-helixtrans-75.5-23.1174.500000112.8N208 P209N208-A211 WeakPolarHBondContact O-CB 3.46Å; N208-A211 PolarHBondContact O-N 2.86Å; P209-A211 VanDerWaalsContact C-N 3.26Å; P209-A211 PolarHBondContact O-N 3.08Å
212G42.1Very low60.9Low35 Ų3593.2 Ų93.236%0.36154%0.539SS..Hα-helixtrans-68.2-41.3-179.100000113.1P209 T210 Q214 K215 A216P209-G212 PolarHBondContact O-N 2.91Å; P209-G212 VanDerWaalsContact O-N 3.08Å; T210-G212 VanDerWaalsContact C-N 3.34Å; G212-Q214 VanDerWaalsContact C-N 3.28Å; G212-Q214 PolarHBondContact O-N 2.96Å; G212-K215 PolarHBondContact O-N 3.48Å; G212-A216 PolarHBondContact O-N 3.4Å
213S44.9Very low58.5Low89 Ų8990.6 Ų90.662%0.62255%0.55SS**Hα-helixtrans-64.8-28.1-177.2-55.20000113.7
214Q43.5Very low56.1Low108 Ų10895.3 Ų95.351%0.50559%0.589SS.*Hα-helixtrans-80.7-40.1178-71-178.5-17.600112.2G212 A216 N217 V218G212-Q214 VanDerWaalsContact C-N 3.28Å; G212-Q214 PolarHBondContact O-N 2.96Å; Q214-A216 VanDerWaalsContact C-N 3.27Å; Q214-A216 PolarHBondContact O-N 2.89Å; Q214-N217 PolarHBondContact O-N 2.68Å; Q214-V218 PolarHBondContact O-N 3.07Å
215K41.3Very low53.6Low170 Ų17094.5 Ų94.574%0.73960%0.599SS**Hα-helixtrans-66.4-26-180-72-167.9175.4-173.10113.7G212 N217G212-K215 PolarHBondContact O-N 3.48Å; K215-N217 VanDerWaalsContact C-N 3.31Å; K215-N217 PolarHBondContact O-N 3.39Å
216A45Very low51.1Low76 Ų7697.3 Ų97.363%0.62862%0.622SS**Hα-helixtrans-68.2-26.3175.500000113.9G212 Q214G212-A216 PolarHBondContact O-N 3.4Å; Q214-A216 VanDerWaalsContact C-N 3.27Å; Q214-A216 PolarHBondContact O-N 2.89Å
217N42.5Very low48.9Very low137 Ų137104.9 Ų104.973%0.73366%0.659SS**Hα-helixtrans-99.1-16.9-175.2-74.92000114.3Q214 K215Q214-N217 PolarHBondContact O-N 2.68Å; K215-N217 VanDerWaalsContact C-N 3.31Å; K215-N217 PolarHBondContact O-N 3.39Å
218V44.9Very low46.9Very low101 Ų101105.5 Ų105.561%0.61267%0.667SS**Hα-helixtrans-90.1-24.8-178.3179.90000112.5Q214 L220 A221Q214-V218 PolarHBondContact O-N 3.07Å; V218-L220 PolarHBondContact O-N 3.1Å; V218-L220 VanDerWaalsContact O-N 3.1Å; V218-A221 PolarHBondContact O-N 3.46Å
219A42.9Very low45.4Very low83 Ų83106.3 Ų106.369%0.68668%0.678SS**THydrogen-bonded Turntrans-73.52.2-175.100000115.8
220L45.4Very low44.4Very low150 Ų150109.8 Ų109.879%0.78569%0.69SS**THydrogen-bonded Turntrans-106.9-5.3178.3-159.765.7000113.3V218V218-L220 PolarHBondContact O-N 3.1Å; V218-L220 VanDerWaalsContact O-N 3.1Å
221A45.3Very low43.8Very low83 Ų83110.5 Ų110.569%0.68670%0.704SS**SBendtrans-98.4-1.8-168.100000115.7V218V218-A221 PolarHBondContact O-N 3.46Å
222T43.2Very low43.6Very low116 Ų116116 Ų11671%0.71273%0.726SS**SBendtrans-128.811.2-166.145.30000115.7
223A44.2Very low43.7Very low97 Ų97121.1 Ų121.180%0.80275%0.745SS**SBendtrans-107.79.7-173.800000115.6
224A44.6Very low43.6Very low101 Ų101123.7 Ų123.784%0.83575%0.751SS**  trans-114.216.9-17200000114.7
225S42.2Very low43.8Very low107 Ų107122 Ų12275%0.74876%0.756SS**  trans-113.930.4-166.6-54.80000115
226T43.8Very low43.9Very low128 Ų128122.7 Ų122.779%0.78576%0.762SS**  trans-147.39317251.10000111.8
227L45.1Very low43.8Very low179 Ų179123.3 Ų123.394%0.93777%0.767SS**  trans-168.9127.4146.6-103162.3000108.6
228V45Very low44Very low138 Ų138127.1 Ų127.184%0.83677%0.771SS**  trans-89.7142.7-167.4176.30000110.6
229P40.3Very low43.8Very low118 Ų118132.2 Ų132.277%0.76678%0.779SS**  trans-90.6161.6-174.236.5-36.3000113.5
230L42.9Very low43.9Very low171 Ų171135.7 Ų135.790%0.89578%0.779SS**  trans-142.3137.4168.9-173.364.2000111.6
231A42.5Very low43.9Very low92 Ų92136.8 Ų136.876%0.7678%0.78SS**  trans67.6145.6169.300000118.3
232L44.7Very low43.5Very low157 Ų157136.2 Ų136.282%0.82278%0.783SS**  cis-163.5129.7-21.317963.7000110.2
233L43.7Very low43.5Very low143 Ų143136.9 Ų136.975%0.74979%0.789SS**  trans42.7107.6146.6-153.975000122.5
234N42.8Very low43.7Very low142 Ų142139.8 Ų139.876%0.75979%0.789SS**  -171.6124.1116-108.65.7000108.5
235A46.7Very low43.6Very low72 Ų72142.1 Ų142.160%0.59578%0.783SS**  63.8117.172.700000111.8
236Q45.2Very low43.8Very low185 Ų185144.5 Ų144.586%0.86478%0.781SS**  cis-146.8150.19.8-89.2150.3-49.100112.8
237A42.1Very low43.5Very low89 Ų89145.7 Ų145.774%0.73678%0.783SS**  trans9.2146.7138.400000120.1
238R45.8Very low43.2Very low217 Ų217140.5 Ų140.582%0.81977%0.766SS**  cis-160.7156.340.5-71.8178.5173.9-174-0.9112.3
239R41.9Very low43.1Very low208 Ų208140.8 Ų140.879%0.78577%0.768SS**  trans41.7140.5133.3-59.7-179.2-177-173-0.5118.7
240F44.2Very low43.4Very low156 Ų156139.2 Ų139.268%0.68477%0.765SS**  cis-169.8168.327.2-139-139.6000109.5
241Q45.5Very low43.4Very low174 Ų174137.2 Ų137.281%0.81376%0.755SS**  trans26.9142.4154.4-64.7171.1-21.400120.7
242G36.8Very low43.3Very low71 Ų71142.4 Ų142.473%0.73276%0.755SS**  cis150.5153.219.500000108.1
243P43.9Very low43.3Very low130 Ų130142.9 Ų142.984%0.84475%0.751SS**  trans-106.3138.8-156.637.2-32.2000116.5
244I47.6Very low43.1Very low158 Ų158146.3 Ų146.381%0.8175%0.754SS**  trans-150.8156.3169.6-62.3-176000108.4
245H43.5Very low42.9Very low150 Ų150149.7 Ų149.769%0.69476%0.758SS**  cis-179.2162.6-44.1-156-74.7000108.1
246H45Very low42.5Very low156 Ų156152.5 Ų152.572%0.72277%0.767SS**  trans53.4160.2161.635.8-121.4000120.1
247N39Very low42.9Very low153 Ų153149.2 Ų149.282%0.81876%0.762SS**  cis-163.6166.3-22.1-178.831.7000109.7
248A38.9Very low42.8Very low70 Ų70153.7 Ų153.758%0.57977%0.773SS**  trans-12.8148.6170.500000123.2
249T42.7Very low42.5Very low145 Ų145147.1 Ų147.189%0.8977%0.773SS**  174.1162.1124.229.50000108.3
250A46Very low42.4Very low84 Ų84142 Ų14269%0.69477%0.774SS**  cis172.1160.6-28.800000106.9
251N42.4Very low42.8Very low129 Ų129139.8 Ų139.869%0.6978%0.776SS**  trans72.7124.8172.5-76.1-16.9000118.5
252R41.6Very low42.6Very low202 Ų202138 Ų13876%0.76277%0.772SS**  68.2136.681.7-64179.3-176.6-157.60.2111.5
253F45.1Very low42.8Very low167 Ų167140.7 Ų140.773%0.73277%0.769SS**  cis-146.6144.136.2-65.5-99.5000110.4
254R38.2Very low42.5Very low214 Ų214141.5 Ų141.581%0.80877%0.765SS**  49.1118.186.3-107.9-169-175.4-174.11.7116.7
255Y38.1Very low41.8Very low214 Ų214140.3 Ų140.384%0.83977%0.765SS**  -175.4170116.2-99.8-69.2000112.4
256T39.2Very low41.5Very low130 Ų130136.4 Ų136.480%0.79877%0.766SS**  trans-134.9-173.4-157.11.20000112.6
257P52.4Low41Very low116 Ų116134.2 Ų134.275%0.75377%0.768SS**  trans-108.5175.3-140.944.6-37.2000116.3
258L42Very low41Very low184 Ų184133.9 Ų133.996%0.96377%0.766SS**  trans-164.9152.2157.1-148.564.8000113.2
259G38.1Very low40.9Very low79 Ų79138 Ų13881%0.81478%0.777SS**  trans127.9101.8157.600000117.9
260A40.7Very low40.5Very low99 Ų99135.9 Ų135.982%0.81877%0.768SS**  trans-135-169.8162.500000107.1
261P53.1Low39.7Very low111 Ų111135.9 Ų135.972%0.72177%0.769SS**  cis-127-164.3-20.438.9-19.8000112
262D39.6Very low39Very low136 Ų136134.6 Ų134.673%0.72778%0.776SS**  trans136.7149.1155-76.6-10.5000112
263L41.6Very low38.5Very low128 Ų128129.1 Ų129.167%0.6777%0.774SS**  cis-162.4146.1-17.5-103.6162.2000107.1
264L38.5Very low37.9Very low146 Ų146125.2 Ų125.276%0.76477%0.772SS**  trans44.3137.1151.6-47.4168.9000119.9
265T31.4Very low37.7Very low133 Ų133119.9 Ų119.982%0.81677%0.768SS**  173.9149.561.8-43.90000110
266G37.4Very low37.7Very low69 Ų69116.6 Ų116.671%0.71176%0.764SS**  trans68.6101.4153.400000117.7
267S35.7Very low37.4Very low110 Ų110115.2 Ų115.277%0.76976%0.756SS**  60.2109.273.6-165.70000114.8
268L38.5Very low37.1Very low145 Ų145111.8 Ų111.876%0.75974%0.737SS**  165.9129.1123-89.2167.5000112.3
269L37.5Very low37Very low156 Ų156106.8 Ų106.882%0.81772%0.716SS**  trans64.2160.7151.2-56.7164.4000117.8
270S32.7Very low37Very low101 Ų101104.7 Ų104.771%0.70669%0.69SS**  cis-168.3143-33.8-178.10000107.7
271A30.7Very low36.8Very low85 Ų85103.2 Ų103.270%0.70267%0.674SS**  trans48.5131.9154.400000121.6
272A27.5Very low36.1Very low101 Ų101104.1 Ų104.184%0.83568%0.683SS**  trans63.5145.2135.800000119.6
273A29.7Very low36.4Very low88 Ų88100.7 Ų100.773%0.72767%0.67SS**  cis-169.5171.7-12.600000107.6
274A32.4Very low36.7Very low84 Ų8498.9 Ų98.969%0.69466%0.664SS**  trans67.7117.6159.500000115.9
275S34.4Very low37.8Very low102 Ų10295.1 Ų95.171%0.71364%0.642SS**  88.3140.496.579.10000111.2
276L38.8Very low39.9Very low145 Ų14589.1 Ų89.176%0.75961%0.607SS**  cis-145.31338.8-77.6104.2000108.5
277T32.8Very low42.3Very low102 Ų10287.5 Ų87.563%0.62658%0.58SS**  46.11049254.70000118.2
278A46.5Very low45Very low44 Ų4484 Ų8436%0.36456%0.555SS.*  trans-160.8149157.100000111.8Q285 F287A278-Q285 PolarHBondContact O-OE1 3.36Å; A278-F287 HydrophobicContact CB-CE1 4.07Å
279P40.1Very low47.6Very low79 Ų7977 Ų7751%0.51352%0.518SS..  trans-122.7145.3-134.139-28.4000120.7A164A164-P279 HydrophobicContact CB-CB 3.85Å; A164-P279 HydrophobicContact CB-CG 3.96Å
280A37.3Very low50.2Low34 Ų3472.3 Ų72.328%0.28149%0.491SS..  trans19.8103.4145.200000120.9Q285A280-Q285 HydrophobicContact CB-CG 3.97Å
281S36.3Very low53.1Low68 Ų6867.5 Ų67.548%0.47646%0.458SS..SBend-80.5157.211970.70000108.8S283S281-S283 PolarHBondContact O-N 3.49Å; S281-S283 PolarHBondContact O-OG 2.74Å
282S38.9Very low56.1Low131 Ų13168.4 Ų68.492%0.91644%0.444SS*.SBendtrans-74.239.6-160.863.60000116.8
283S46.4Very low59.2Low63 Ų6366.2 Ų66.244%0.44142%0.418SS..SBendtrans-111.7-174.8168.350.20000108.3S281 Q285S281-S283 PolarHBondContact O-N 3.49Å; S281-S283 PolarHBondContact O-OG 2.74Å; S283-Q285 PolarHBondContact O-N 3.27Å
284V47.3Very low62.1Low90 Ų9062 Ų6255%0.54538%0.383SS..SBendtrans-47132.3160.6179.70000108G286 L314V284-G286 PolarHBondContact O-N 3.03Å; V284-L314 HydrophobicContact CB-CD1 3.54Å; V284-L314 HydrophobicContact CB-CD2 3.89Å; V284-L314 HydrophobicContact CB-CG 4.33Å; V284-L314 HydrophobicContact CG1-CD1 3.64Å; V284-L314 HydrophobicContact CG2-CD1 4.02Å
285Q61.5Low64.7Low68 Ų6858.5 Ų58.532%0.31835%0.354SS..SBendtrans-63.5106.4-177.6-67.8-162.2-4.600108.2A278 A280 S283A278-Q285 PolarHBondContact O-OE1 3.36Å; A280-Q285 HydrophobicContact CB-CG 3.97Å; S283-Q285 PolarHBondContact O-N 3.27Å
286G75.7Confident67.1Low7 Ų756.1 Ų56.17%0.07234%0.336CS..  trans-135.2160177.400000109.4V284 P288 M335V284-G286 PolarHBondContact O-N 3.03Å; G286-P288 VanDerWaalsContact O-CD 3.22Å; G286-P288 WeakPolarHBondContact O-CD 2.89Å; G286-M335 CarbonylContact C-O 3.56Å; G286-M335 VanDerWaalsContact C-O 3.27Å; G286-M335 WeakPolarHBondContact CA-O 3.22Å
287F88.5Confident69.3Low34 Ų3457 Ų5715%0.14934%0.336CS..EExtended strand (participates in β ladder)trans-95.7105.9-169.4-63.2-85.6000108.7A278 I289 M335 V336 Y338 A341 F362A278-F287 HydrophobicContact CB-CE1 4.07Å; F287-I289 PolarHBondContact O-N 3.22Å; F287-M335 PolarHBondContact N-O 2.93Å; F287-M335 PolarHBondContact O-N 3.12Å; F287-M335 VanDerWaalsContact O-N 3.09Å; F287-V336 WeakPolarHBondContact CD2-O 3.2Å; F287-V336 WeakPolarHBondContact CE2-O 3.27Å; F287-Y338 AromaticContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CG 4.28Å; F287-Y338 AromaticContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CG 4.19Å; F287-Y338 VanDerWaalsContact CE2-N 3.28Å; F287-Y338 HydrophobicContact CG-CD2 4.31Å; F287-A341 HydrophobicContact CB-CB 3.81Å; F287-F362 HydrophobicContact CB-CE1 4.26Å
288P90.6Very high71.8Confident36 Ų3652.4 Ų52.423%0.23431%0.308CS..EExtended strand (participates in β ladder)trans-77.3118.2-175.530.9-33.9000110.3G286 K363G286-P288 VanDerWaalsContact O-CD 3.22Å; G286-P288 WeakPolarHBondContact O-CD 2.89Å; P288-K363 HydrophobicContact CB-CB 3.92Å; P288-K363 HydrophobicContact CB-CD 3.77Å; P288-K363 HydrophobicContact CG-CB 4.03Å; P288-K363 HydrophobicContact CG-CD 4.08Å; P288-K363 WeakPolarHBondContact O-CB 3.48Å; P288-K363 PolarHBondContact O-N 3.5Å
289I93.2Very high73.8Confident0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-94.6133.7171.6-54.9177000108F287 V291 F307 F332 V333 M335 A341 A344 I345 V360 S361F287-I289 PolarHBondContact O-N 3.22Å; I289-V291 HydrophobicContact CG2-CG2 4.14Å; I289-F307 HydrophobicContact CD1-CD1 4.11Å; I289-F307 HydrophobicContact CD1-CE1 3.65Å; I289-F307 HydrophobicContact CG2-CE1 4.17Å; I289-F307 HydrophobicContact CG2-CZ 4.34Å; I289-F332 CarbonylContact O-C 3.6Å; I289-F332 VanDerWaalsContact O-CA 3.3Å; I289-F332 WeakPolarHBondContact O-CA 3.27Å; I289-V333 WeakPolarHBondContact CA-O 3.48Å; I289-V333 HydrophobicContact CB-CB 4.49Å; I289-V333 WeakPolarHBondContact CB-O 3.43Å; I289-V333 PolarHBondContact N-O 2.95Å; I289-V333 PolarHBondContact O-N 2.69Å; I289-M335 HydrophobicContact CD1-CG 3.59Å; I289-M335 HydrophobicContact CD1-SD 4.45Å; I289-M335 HydrophobicContact CG1-CG 4.39Å; I289-A341 HydrophobicContact CD1-CB 3.93Å; I289-A341 HydrophobicContact CG1-CB 4.24Å; I289-A344 HydrophobicContact CD1-CB 4.23Å; I289-I345 HydrophobicContact CD1-CG1 4.31Å; I289-I345 HydrophobicContact CG1-CD1 4.3Å; I289-I345 HydrophobicContact CG1-CG1 4.42Å; I289-I345 HydrophobicContact CG2-CG1 4.1Å; I289-V360 HydrophobicContact CG2-CG1 3.42Å; I289-V360 VanDerWaalsContact CG2-CG1 3.42Å; I289-S361 CarbonylContact C-O 3.58Å; I289-S361 WeakPolarHBondContact CA-O 3.34Å; I289-S361 WeakPolarHBondContact CG2-O 3.43Å
290F93.8Very high76.1Confident56 Ų5656.1 Ų56.125%0.24631%0.311CS..EExtended strand (participates in β ladder)trans-93.2126166.7174.5-117.7000108.8Y292 Y330 F332 V360 S361 K363F290-Y292 HydrophobicContact CE1-CD2 4.27Å; F290-Y292 HydrophobicContact CE1-CG 4.22Å; F290-Y292 AromaticContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CG 4.08Å; F290-Y330 HydrophobicContact CD2-CD2 4.46Å; F290-Y330 AromaticContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CE2 4.47Å; F290-Y330 HydrophobicContact CE2-CG 4.02Å; F290-F332 HydrophobicContact CB-CD1 4.38Å; F290-F332 HydrophobicContact CB-CE1 4.28Å; F290-F332 HydrophobicContact CD2-CD1 4.11Å; F290-F332 AromaticContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CZ 4.05Å; F290-F332 HydrophobicContact CE2-CE1 4.34Å; F290-F332 HydrophobicContact CE2-CZ 4.42Å; F290-F332 HydrophobicContact CG-CE1 4.33Å; F290-V360 WeakPolarHBondContact O-CA 3.29Å; F290-S361 PolarHBondContact N-O 3.09Å; F290-S361 PolarHBondContact O-N 3.17Å; F290-K363 HydrophobicContact CB-CB 4.44Å
291V93.3Very high78.6Confident0 Ų057.7 Ų57.70%032%0.324CS..EExtended strand (participates in β ladder)trans-116.8119.8178.5-171.80000107.8I289 L294 L303 F307 Y330 A331 V333 Q359 V360I289-V291 HydrophobicContact CG2-CG2 4.14Å; V291-L294 HydrophobicContact CG1-CD1 4.39Å; V291-L294 HydrophobicContact CG1-CD2 3.79Å; V291-L294 HydrophobicContact CG1-CG 4.18Å; V291-L303 HydrophobicContact CG1-CD2 4.42Å; V291-F307 HydrophobicContact CG2-CE2 3.84Å; V291-F307 HydrophobicContact CG2-CZ 3.56Å; V291-Y330 CarbonylContact O-C 3.51Å; V291-Y330 WeakPolarHBondContact O-CA 3.46Å; V291-Y330 VanDerWaalsContact O-CB 3.3Å; V291-Y330 WeakPolarHBondContact O-CB 3.37Å; V291-A331 PolarHBondContact N-O 3.25Å; V291-A331 PolarHBondContact O-N 3.04Å; V291-V333 HydrophobicContact CG2-CG2 4.04Å; V291-Q359 CarbonylContact C-O 3.57Å; V291-Q359 WeakPolarHBondContact CA-O 3.17Å; V291-V360 HydrophobicContact CG1-CG2 4.38Å
292Y93.3Very high81.2Confident105 Ų10558.9 Ų58.941%0.41232%0.32SS..EExtended strand (participates in β ladder)trans-123.2166.1-176.7-174.6-95.4000111.7F290 L294 G329 Q359F290-Y292 HydrophobicContact CE1-CD2 4.27Å; F290-Y292 HydrophobicContact CE1-CG 4.22Å; F290-Y292 AromaticContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CG 4.08Å; Y292-L294 VanDerWaalsContact C-N 3.33Å; Y292-G329 CarbonylContact C-O 3.49Å; Y292-Q359 VanDerWaalsContact CD1-OE1 3.29Å; Y292-Q359 PolarHBondContact N-O 3.43Å; Y292-Q359 PolarHBondContact O-N 2.92Å
293N92.1Very high83.7Confident55 Ų5552.6 Ų52.629%0.29428%0.277SS..SBendtrans63.930.1-174.4-159.527000114.7G329 R356 K357N293-G329 PolarHBondContact N-O 3.47Å; N293-R356 WeakPolarHBondContact O-CB 3.34Å; N293-R356 WeakPolarHBondContact O-CD 3.2Å; N293-K357 WeakPolarHBondContact CB-O 3.47Å; N293-K357 PolarHBondContact ND2-O 2.87Å
294L90.8Very high85.8Confident0 Ų055.4 Ų55.40%028%0.278CS..  trans-64.4149.7172.5-62.9174000111.4V291 Y292 V298 L303 G329 A331 R356 L358V291-L294 HydrophobicContact CG1-CD1 4.39Å; V291-L294 HydrophobicContact CG1-CD2 3.79Å; V291-L294 HydrophobicContact CG1-CG 4.18Å; Y292-L294 VanDerWaalsContact C-N 3.33Å; L294-V298 HydrophobicContact CB-CB 4.46Å; L294-V298 HydrophobicContact CD2-CG1 4.19Å; L294-L303 HydrophobicContact CD1-CD1 4.28Å; L294-L303 HydrophobicContact CD1-CD2 4.46Å; L294-L303 HydrophobicContact CD2-CD2 3.99Å; L294-G329 PolarHBondContact N-O 2.92Å; L294-A331 HydrophobicContact CD1-CB 3.62Å; L294-R356 PolarHBondContact O-NH1 3.05Å; L294-R356 VanDerWaalsContact O-NH1 3.09Å; L294-L358 HydrophobicContact CD2-CD2 3.68Å
295S88.1Confident87.9Confident10 Ų1057.1 Ų57.17%0.0728%0.28CS..  trans-65.7146.7166.1164.20000110.3E297 V298 D354S295-E297 PolarHBondContact O-N 2.83Å; S295-E297 VanDerWaalsContact O-N 3.11Å; S295-E297 PolarHBondContact OG-N 2.83Å; S295-V298 PolarHBondContact O-N 3.01Å; S295-V298 VanDerWaalsContact O-N 3.13Å; S295-D354 WeakPolarHBondContact CB-OD2 3.37Å
296P84.2Confident89.3Confident52 Ų5255 Ų5534%0.33827%0.271SS..THydrogen-bonded Turntrans-60.2-16174.226.1-35.7000113.8
297E84.3Confident90.1Very high163 Ų16354.7 Ų54.776%0.76227%0.267SS*.THydrogen-bonded Turntrans-93.1-9.3179.8-61.1178.1-179.900113.2S295 E299S295-E297 PolarHBondContact O-N 2.83Å; S295-E297 VanDerWaalsContact O-N 3.11Å; S295-E297 PolarHBondContact OG-N 2.83Å; E297-E299 PolarHBondContact O-N 3.5Å
298V85.9Confident90.1Very high5 Ų554.9 Ų54.93%0.0328%0.278CS..  trans-69121.1-178.9167.40000111.4L294 S295 K302 L303 C327 L353L294-V298 HydrophobicContact CB-CB 4.46Å; L294-V298 HydrophobicContact CD2-CG1 4.19Å; S295-V298 PolarHBondContact O-N 3.01Å; S295-V298 VanDerWaalsContact O-N 3.13Å; V298-K302 HydrophobicContact CG1-CB 4.4Å; V298-L303 HydrophobicContact CG1-CD2 4.39Å; V298-L303 HydrophobicContact CG1-CG 4.12Å; V298-C327 PolarHBondContact O-SG 2.91Å; V298-L353 HydrophobicContact CG2-CD2 3.81Å
299E87.7Confident90.2Very high121 Ų12158.3 Ų58.357%0.56530%0.301SS*.  trans-95.5165.8172.7-60.8-166.7156.800113.1E297 A301 K302 L303E297-E299 PolarHBondContact O-N 3.5Å; E299-A301 PolarHBondContact O-N 2.73Å; E299-K302 PolarHBondContact O-N 3.34Å; E299-L303 PolarHBondContact O-N 2.79Å
300E88.7Confident90.1Very high80 Ų8060.9 Ų60.937%0.37431%0.312SS..Hα-helixtrans-58.4-36.3178.3-68.5178.8175.700111.7K302 L303 W304 I316 V318E300-K302 VanDerWaalsContact C-N 3.26Å; E300-K302 PolarHBondContact O-N 3.43Å; E300-L303 PolarHBondContact O-N 2.78Å; E300-L303 VanDerWaalsContact O-N 3.13Å; E300-W304 PolarHBondContact O-N 3.09Å; E300-I316 HydrophobicContact CB-CG2 4.31Å; E300-I316 HydrophobicContact CG-CG2 4.08Å; E300-V318 HydrophobicContact CG-CB 4.03Å; E300-V318 HydrophobicContact CG-CG2 3.51Å; E300-V318 PolarHBondContact OE1-N 2.86Å
301A90.4Very high89.8Confident68 Ų6859.2 Ų59.256%0.56231%0.31SS*.Hα-helixtrans-57.5-3517600000113.3E299 W304 Q305E299-A301 PolarHBondContact O-N 2.73Å; A301-W304 PolarHBondContact O-N 3.19Å; A301-Q305 PolarHBondContact O-N 2.74Å; A301-Q305 VanDerWaalsContact O-N 3.09Å
302K90.1Very high89.5Confident92 Ų9261.7 Ų61.740%0.433%0.331SS..Hα-helixtrans-74.3-34.4178.4-167.362.2178.7177.50111.9V298 E299 E300 Q305 L306V298-K302 HydrophobicContact CG1-CB 4.4Å; E299-K302 PolarHBondContact O-N 3.34Å; E300-K302 VanDerWaalsContact C-N 3.26Å; E300-K302 PolarHBondContact O-N 3.43Å; K302-Q305 PolarHBondContact O-N 3.29Å; K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 3.17Å
303L91.4Very high89.4Confident0 Ų057.5 Ų57.50%032%0.316CS..Hα-helixtrans-68.9-37.3172.3-64.8173.3000111.7V291 L294 V298 E299 E300 Q305 L306 F307 I316 V318 A331V291-L303 HydrophobicContact CG1-CD2 4.42Å; L294-L303 HydrophobicContact CD1-CD1 4.28Å; L294-L303 HydrophobicContact CD1-CD2 4.46Å; L294-L303 HydrophobicContact CD2-CD2 3.99Å; V298-L303 HydrophobicContact CG1-CD2 4.39Å; V298-L303 HydrophobicContact CG1-CG 4.12Å; E299-L303 PolarHBondContact O-N 2.79Å; E300-L303 PolarHBondContact O-N 2.78Å; E300-L303 VanDerWaalsContact O-N 3.13Å; L303-Q305 VanDerWaalsContact C-N 3.35Å; L303-Q305 PolarHBondContact O-N 2.99Å; L303-L306 PolarHBondContact O-N 2.84Å; L303-F307 HydrophobicContact CD2-CE2 4.32Å; L303-F307 WeakPolarHBondContact O-CD2 3.32Å; L303-F307 PolarHBondContact O-N 2.76Å; L303-I316 HydrophobicContact CB-CD1 3.69Å; L303-I316 HydrophobicContact CB-CG2 4.1Å; L303-I316 HydrophobicContact CD1-CG2 3.74Å; L303-V318 HydrophobicContact CD1-CG2 3.52Å; L303-A331 HydrophobicContact CD1-CB 3.53Å
304W90.8Very high89.2Confident121 Ų12157.6 Ų57.646%0.45832%0.316SS..Hα-helixtrans-57.8-46.3170.4-82.7105000111.7E300 A301 L306 G308 V313 I316E300-W304 PolarHBondContact O-N 3.09Å; A301-W304 PolarHBondContact O-N 3.19Å; W304-L306 VanDerWaalsContact C-N 3.3Å; W304-L306 PolarHBondContact O-N 3.48Å; W304-G308 WeakPolarHBondContact O-CA 3.21Å; W304-G308 PolarHBondContact O-N 2.89Å; W304-V313 HydrophobicContact CD2-CG1 4.5Å; W304-V313 HydrophobicContact CE3-CB 3.89Å; W304-V313 HydrophobicContact CE3-CG1 4.18Å; W304-V313 HydrophobicContact CE3-CG2 4.44Å; W304-V313 HydrophobicContact CH2-CB 3.96Å; W304-V313 HydrophobicContact CH2-CG1 3.92Å; W304-V313 WeakPolarHBondContact CH2-O 3.47Å; W304-V313 HydrophobicContact CZ2-CG1 4.23Å; W304-V313 HydrophobicContact CZ3-CB 3.52Å; W304-V313 HydrophobicContact CZ3-CG1 3.92Å; W304-V313 HydrophobicContact CZ3-CG2 4.48Å; W304-V313 WeakPolarHBondContact CZ3-O 3.21Å; W304-I316 HydrophobicContact CB-CD1 4.21Å; W304-I316 HydrophobicContact CD2-CD1 3.83Å; W304-I316 HydrophobicContact CD2-CG1 4.38Å; W304-I316 HydrophobicContact CG-CD1 3.58Å; W304-I316 HydrophobicContact CZ2-CG1 4.4Å
305Q91Very high89.2Confident127 Ų12761.6 Ų61.659%0.59334%0.338SS*.Hα-helixtrans-63.9-34.7176.7-167.5-176.930.700112.8A301 K302 L303 P309A301-Q305 PolarHBondContact O-N 2.74Å; A301-Q305 VanDerWaalsContact O-N 3.09Å; K302-Q305 PolarHBondContact O-N 3.29Å; L303-Q305 VanDerWaalsContact C-N 3.35Å; L303-Q305 PolarHBondContact O-N 2.99Å; Q305-P309 WeakPolarHBondContact O-CD 3.5Å
306L91.6Very high89.3Confident24 Ų2461.5 Ų61.513%0.12634%0.337CS..Hα-helixtrans-78-39.2-177-166.870.9000112.9K302 L303 W304 F310 L348 F351 L358K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 3.17Å; L303-L306 PolarHBondContact O-N 2.84Å; W304-L306 VanDerWaalsContact C-N 3.3Å; W304-L306 PolarHBondContact O-N 3.48Å; L306-F310 WeakPolarHBondContact O-CE2 3.47Å; L306-L348 HydrophobicContact CD1-CD2 3.67Å; L306-L348 HydrophobicContact CD2-CD1 4.14Å; L306-L348 HydrophobicContact CD2-CD2 4.07Å; L306-L348 HydrophobicContact CG-CD1 3.88Å; L306-L348 HydrophobicContact CG-CD2 3.64Å; L306-L348 HydrophobicContact CG-CG 4.4Å; L306-F351 HydrophobicContact CD1-CD1 4.24Å; L306-F351 HydrophobicContact CD1-CE1 3.91Å; L306-F351 HydrophobicContact CD1-CZ 4.28Å; L306-L358 HydrophobicContact CD2-CD1 3.61Å
307F92.2Very high89.6Confident0 Ų064.9 Ų64.90%035%0.346CS..Hα-helixtrans-92.2-25.7-177.7-78.5-94.2000113.9I289 V291 L303 P309 F310 V313 V333 M335 A344 L348 V360I289-F307 HydrophobicContact CD1-CD1 4.11Å; I289-F307 HydrophobicContact CD1-CE1 3.65Å; I289-F307 HydrophobicContact CG2-CE1 4.17Å; I289-F307 HydrophobicContact CG2-CZ 4.34Å; V291-F307 HydrophobicContact CG2-CE2 3.84Å; V291-F307 HydrophobicContact CG2-CZ 3.56Å; L303-F307 HydrophobicContact CD2-CE2 4.32Å; L303-F307 WeakPolarHBondContact O-CD2 3.32Å; L303-F307 PolarHBondContact O-N 2.76Å; F307-P309 VanDerWaalsContact C-CD 3.45Å; F307-F310 PolarHBondContact O-N 2.93Å; F307-V313 HydrophobicContact CB-CG2 3.69Å; F307-V333 HydrophobicContact CB-CG1 4.16Å; F307-V333 HydrophobicContact CD1-CB 4.44Å; F307-V333 HydrophobicContact CD1-CG1 3.89Å; F307-V333 HydrophobicContact CD2-CG1 4.24Å; F307-V333 HydrophobicContact CD2-CG2 3.98Å; F307-V333 HydrophobicContact CE1-CB 4.46Å; F307-V333 HydrophobicContact CE1-CG1 4.38Å; F307-V333 HydrophobicContact CE2-CG2 3.93Å; F307-V333 HydrophobicContact CG-CB 4.48Å; F307-V333 HydrophobicContact CG-CG1 3.82Å; F307-V333 HydrophobicContact CG-CG2 4.4Å; F307-V333 HydrophobicContact CZ-CG2 4.3Å; F307-M335 HydrophobicContact CB-SD 4.29Å; F307-M335 HydrophobicContact CD1-SD 4.03Å; F307-A344 HydrophobicContact CD1-CB 3.85Å; F307-A344 HydrophobicContact CE1-CB 3.93Å; F307-L348 HydrophobicContact CD1-CD1 3.92Å; F307-L348 HydrophobicContact CD2-CD1 4.03Å; F307-L348 HydrophobicContact CE1-CD1 3.66Å; F307-L348 HydrophobicContact CE2-CD1 3.78Å; F307-L348 HydrophobicContact CG-CD1 4.1Å; F307-L348 HydrophobicContact CZ-CD1 3.58Å; F307-V360 HydrophobicContact CE1-CG1 4.34Å; F307-V360 HydrophobicContact CZ-CG1 4.02Å
308G89.3Confident89.9Confident37 Ų3757.6 Ų57.638%0.38131%0.313SS..G310 helixtrans-53.9-37.8-178.800000116.1W304 F310 G311W304-G308 WeakPolarHBondContact O-CA 3.21Å; W304-G308 PolarHBondContact O-N 2.89Å; G308-F310 PolarHBondContact O-N 2.97Å; G308-G311 PolarHBondContact O-N 3.46Å
309P91.9Very high90.1Very high109 Ų10958.9 Ų58.971%0.70832%0.319SS*.G310 helixtrans-64.2-21176.2-25.235.9000114.7Q305 F307Q305-P309 WeakPolarHBondContact O-CD 3.5Å; F307-P309 VanDerWaalsContact C-CD 3.45Å
310F90.9Very high90.1Very high54 Ų5457.6 Ų57.624%0.23731%0.309CS..G310 helixtrans-90.9-14.6-178.1-61.8-79.7000113.5L306 F307 G308 M335 E340 A344 S347 L348L306-F310 WeakPolarHBondContact O-CE2 3.47Å; F307-F310 PolarHBondContact O-N 2.93Å; G308-F310 PolarHBondContact O-N 2.97Å; F310-M335 HydrophobicContact CB-CE 4.42Å; F310-E340 WeakPolarHBondContact O-CB 3.43Å; F310-E340 VanDerWaalsContact O-CG 3.27Å; F310-E340 WeakPolarHBondContact O-CG 3.46Å; F310-A344 HydrophobicContact CB-CB 3.73Å; F310-A344 HydrophobicContact CD1-CB 4.25Å; F310-A344 HydrophobicContact CD2-CB 3.96Å; F310-A344 HydrophobicContact CG-CB 3.7Å; F310-S347 VanDerWaalsContact CE1-CB 3.44Å; F310-S347 VanDerWaalsContact CZ-CB 3.45Å; F310-L348 HydrophobicContact CD2-CD1 4.17Å; F310-L348 HydrophobicContact CE2-CD1 3.8Å; F310-L348 HydrophobicContact CE2-CD2 3.88Å; F310-L348 HydrophobicContact CE2-CG 3.76Å; F310-L348 HydrophobicContact CZ-CD2 4.22Å; F310-L348 HydrophobicContact CZ-CG 4.13Å
311G87.1Confident89.7Confident20 Ų2056.2 Ų56.221%0.20630%0.304CS..SBendtrans154.7-173.5-17700000115.3G308 V313 E340G308-G311 PolarHBondContact O-N 3.46Å; G311-V313 PolarHBondContact O-N 2.81Å; G311-E340 VanDerWaalsContact CA-CD 3.45Å; G311-E340 VanDerWaalsContact CA-OE2 3.24Å; G311-E340 WeakPolarHBondContact CA-OE2 3.14Å
312A88.6Confident89.1Confident53 Ų5361.7 Ų61.744%0.43832%0.318SS..  trans-76.4114.2-178.900000110.5M335 V336 E340A312-M335 CarbonylContact O-C 3.5Å; A312-V336 HydrophobicContact CB-CB 4.06Å; A312-V336 HydrophobicContact CB-CG2 3.71Å; A312-V336 WeakPolarHBondContact O-CG2 3.36Å; A312-V336 PolarHBondContact O-N 2.94Å; A312-E340 PolarHBondContact N-OE2 3.27Å
313V91Very high88.7Confident16 Ų1665.1 Ų65.110%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-83.7121.6172.3178.60000109.2W304 F307 G311 I316 V333 M335W304-V313 HydrophobicContact CD2-CG1 4.5Å; W304-V313 HydrophobicContact CE3-CB 3.89Å; W304-V313 HydrophobicContact CE3-CG1 4.18Å; W304-V313 HydrophobicContact CE3-CG2 4.44Å; W304-V313 HydrophobicContact CH2-CB 3.96Å; W304-V313 HydrophobicContact CH2-CG1 3.92Å; W304-V313 WeakPolarHBondContact CH2-O 3.47Å; W304-V313 HydrophobicContact CZ2-CG1 4.23Å; W304-V313 HydrophobicContact CZ3-CB 3.52Å; W304-V313 HydrophobicContact CZ3-CG1 3.92Å; W304-V313 HydrophobicContact CZ3-CG2 4.48Å; W304-V313 WeakPolarHBondContact CZ3-O 3.21Å; F307-V313 HydrophobicContact CB-CG2 3.69Å; G311-V313 PolarHBondContact O-N 2.81Å; V313-I316 HydrophobicContact CG1-CD1 4.01Å; V313-I316 HydrophobicContact CG1-CG1 3.58Å; V313-V333 HydrophobicContact CG1-CG1 3.89Å; V313-V333 HydrophobicContact CG2-CG1 4.3Å; V313-M335 HydrophobicContact CG2-CE 4.24Å; V313-M335 HydrophobicContact CG2-SD 3.7Å
314L88.3Confident88.1Confident57 Ų5768.9 Ų68.930%0.29836%0.363SS..EExtended strand (participates in β ladder)trans-80.9-44.1178.2-167.393000112.3V284 T334 V336V284-L314 HydrophobicContact CB-CD1 3.54Å; V284-L314 HydrophobicContact CB-CD2 3.89Å; V284-L314 HydrophobicContact CB-CG 4.33Å; V284-L314 HydrophobicContact CG1-CD1 3.64Å; V284-L314 HydrophobicContact CG2-CD1 4.02Å; L314-T334 WeakPolarHBondContact CA-O 3.34Å; L314-T334 HydrophobicContact CB-CG2 4.22Å; L314-T334 VanDerWaalsContact CB-O 3.29Å; L314-T334 WeakPolarHBondContact CB-O 3.46Å; L314-T334 HydrophobicContact CD2-CG2 4.03Å; L314-T334 PolarHBondContact N-O 3.48Å; L314-V336 HydrophobicContact CB-CG2 4.29Å; L314-V336 HydrophobicContact CD1-CG2 4.02Å
315N89Confident87.4Confident84 Ų8467.1 Ų67.145%0.44937%0.369SS..EExtended strand (participates in β ladder)trans-158139.7-176.3-172.9-111.9000111.2V333 T334N315-V333 CarbonylContact O-C 3.59Å; N315-T334 PolarHBondContact N-O 2.9Å; N315-T334 PolarHBondContact O-N 3Å
316I91.9Very high86.7Confident9 Ų967.4 Ų67.45%0.04637%0.368CS..EExtended strand (participates in β ladder)trans-115.9139.3168.4-54.3-167.1000107.9E300 L303 W304 V313 V318 F332 V333E300-I316 HydrophobicContact CB-CG2 4.31Å; E300-I316 HydrophobicContact CG-CG2 4.08Å; L303-I316 HydrophobicContact CB-CD1 3.69Å; L303-I316 HydrophobicContact CB-CG2 4.1Å; L303-I316 HydrophobicContact CD1-CG2 3.74Å; W304-I316 HydrophobicContact CB-CD1 4.21Å; W304-I316 HydrophobicContact CD2-CD1 3.83Å; W304-I316 HydrophobicContact CD2-CG1 4.38Å; W304-I316 HydrophobicContact CG-CD1 3.58Å; W304-I316 HydrophobicContact CZ2-CG1 4.4Å; V313-I316 HydrophobicContact CG1-CD1 4.01Å; V313-I316 HydrophobicContact CG1-CG1 3.58Å; I316-V318 HydrophobicContact CG2-CG2 4.4Å; I316-F332 CarbonylContact C-O 3.56Å; I316-F332 WeakPolarHBondContact CA-O 3.44Å; I316-V333 HydrophobicContact CD1-CG2 4.42Å; I316-V333 HydrophobicContact CG1-CG1 4.35Å; I316-V333 HydrophobicContact CG1-CG2 4.32Å; I316-V333 HydrophobicContact CG2-CG2 4.27Å
317K90.3Very high86.1Confident122 Ų12266.8 Ų66.853%0.5337%0.366SS..EExtended strand (participates in β ladder)trans-136.798.4174-175.8177.8-177.4171.70109.7I319 A331 F332K317-I319 HydrophobicContact CD-CD1 4.03Å; K317-I319 HydrophobicContact CG-CD1 3.91Å; K317-A331 CarbonylContact O-C 3.59Å; K317-A331 WeakPolarHBondContact O-CA 3.43Å; K317-F332 PolarHBondContact N-O 2.95Å; K317-F332 PolarHBondContact O-N 2.81Å
318V90.8Very high85.8Confident11 Ų1172.3 Ų72.37%0.06739%0.39CS..EExtended strand (participates in β ladder)trans-76.7129.5171.6174.80000109E300 L303 I316 R320 C327 A331E300-V318 HydrophobicContact CG-CB 4.03Å; E300-V318 HydrophobicContact CG-CG2 3.51Å; E300-V318 PolarHBondContact OE1-N 2.86Å; L303-V318 HydrophobicContact CD1-CG2 3.52Å; I316-V318 HydrophobicContact CG2-CG2 4.4Å; V318-R320 HydrophobicContact CG1-CG 4.12Å; V318-R320 PolarHBondContact O-N 2.76Å; V318-C327 HydrophobicContact CG1-CB 3.98Å; V318-C327 WeakPolarHBondContact CG1-SG 3.24Å; V318-A331 HydrophobicContact CB-CB 4.39Å; V318-A331 HydrophobicContact CG2-CB 3.89Å
319I89.6Confident85.8Confident31 Ų3171.1 Ų71.116%0.15938%0.377CS..EExtended strand (participates in β ladder)trans-90112.1-180-55.6-60.4000108.9K317 K328 Y330 F332K317-I319 HydrophobicContact CD-CD1 4.03Å; K317-I319 HydrophobicContact CG-CD1 3.91Å; I319-K328 HydrophobicContact CG2-CD 4.13Å; I319-K328 WeakPolarHBondContact O-CB 3.33Å; I319-K328 PolarHBondContact O-N 3.34Å; I319-Y330 HydrophobicContact CB-CD2 3.94Å; I319-Y330 HydrophobicContact CB-CE1 4.34Å; I319-Y330 HydrophobicContact CB-CE2 3.65Å; I319-Y330 HydrophobicContact CB-CG 4.45Å; I319-Y330 HydrophobicContact CG1-CD2 3.79Å; I319-Y330 HydrophobicContact CG1-CE2 3.49Å; I319-Y330 VanDerWaalsContact CG1-CE2 3.49Å; I319-Y330 HydrophobicContact CG2-CE1 4.21Å; I319-Y330 HydrophobicContact CG2-CE2 3.88Å; I319-Y330 PolarHBondContact N-O 3.37Å; I319-F332 HydrophobicContact CD1-CD2 4.13Å; I319-F332 HydrophobicContact CD1-CE2 4.1Å; I319-F332 HydrophobicContact CG1-CD2 4.03Å; I319-F332 HydrophobicContact CG1-CE2 3.84Å
320R88.1Confident85.8Confident94 Ų9469 Ų6936%0.35536%0.356SS..EExtended strand (participates in β ladder)trans-105.2152.9-179.3-63.4172.5-178-90.4-1.8110.9V318 S325 K326 C327V318-R320 HydrophobicContact CG1-CG 4.12Å; V318-R320 PolarHBondContact O-N 2.76Å; R320-S325 WeakPolarHBondContact CD-O 3.3Å; R320-S325 PolarHBondContact NH1-O 3.35Å; R320-S325 VanDerWaalsContact NH1-O 3.12Å; R320-K326 CarbonylContact C-O 3.53Å; R320-K326 VanDerWaalsContact CA-O 3.27Å; R320-K326 WeakPolarHBondContact CA-O 3.48Å; R320-C327 PolarHBondContact NH1-SG 3.46Å
321D80.6Confident85.9Confident51 Ų5166.5 Ų66.527%0.27334%0.344SS..  trans-74.7136167.9171.942.9000109.7L323 T324 S325 K326 K328D321-L323 VanDerWaalsContact C-N 3.34Å; D321-L323 PolarHBondContact O-N 2.94Å; D321-T324 WeakPolarHBondContact CB-OG1 3.26Å; D321-T324 WeakPolarHBondContact OD2-CB 3.39Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.45Å; D321-T324 PolarHBondContact OD2-N 2.91Å; D321-T324 PolarHBondContact OD2-OG1 3.27Å; D321-S325 VanDerWaalsContact O-CA 3.26Å; D321-S325 WeakPolarHBondContact O-CA 3.27Å; D321-S325 PolarHBondContact O-N 2.85Å; D321-K326 PolarHBondContact N-O 3.04Å; D321-K328 HydrophobicContact CB-CD 4.32Å; D321-K328 HydrophobicContact CB-CG 4.06Å
322Q77.7Confident86.2Confident183 Ų18367.7 Ų67.786%0.85534%0.344SS*.THydrogen-bonded Turntrans-74.1-25.2-172.9-74.5-175.7-2300113.1
323L80Confident86.5Confident165 Ų16565.2 Ų65.286%0.86432%0.323SS*.THydrogen-bonded Turntrans-85-37.2-179.2-69.2167.4000112.1D321D321-L323 VanDerWaalsContact C-N 3.34Å; D321-L323 PolarHBondContact O-N 2.94Å
324T80.4Confident86.5Confident79 Ų7965.2 Ų65.249%0.48532%0.324SS..THydrogen-bonded Turntrans-106.2-10.2-174.261.20000114.7D321 K326D321-T324 WeakPolarHBondContact CB-OG1 3.26Å; D321-T324 WeakPolarHBondContact OD2-CB 3.39Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.45Å; D321-T324 PolarHBondContact OD2-N 2.91Å; D321-T324 PolarHBondContact OD2-OG1 3.27Å; T324-K326 PolarHBondContact O-N 3.13Å
325S75.1Confident86.6Confident83 Ų8362.5 Ų62.558%0.5831%0.31SS*.  trans57.23.3-171.2-64.80000115.6R320 D321R320-S325 WeakPolarHBondContact CD-O 3.3Å; R320-S325 PolarHBondContact NH1-O 3.35Å; R320-S325 VanDerWaalsContact NH1-O 3.12Å; D321-S325 VanDerWaalsContact O-CA 3.26Å; D321-S325 WeakPolarHBondContact O-CA 3.27Å; D321-S325 PolarHBondContact O-N 2.85Å
326K76.2Confident86.6Confident134 Ų13460.7 Ų60.758%0.58330%0.301SS*.  trans-77148.4178.3-66.3-172.6177.3-170.80111R320 D321 T324 K328R320-K326 CarbonylContact C-O 3.53Å; R320-K326 VanDerWaalsContact CA-O 3.27Å; R320-K326 WeakPolarHBondContact CA-O 3.48Å; D321-K326 PolarHBondContact N-O 3.04Å; T324-K326 PolarHBondContact O-N 3.13Å; K326-K328 PolarHBondContact O-N 3.19Å
327C80.1Confident86.5Confident10 Ų1063.9 Ų63.97%0.06832%0.319CS..EExtended strand (participates in β ladder)trans-67.4131.9178.7-55.50000110.2V298 V318 R320 G329V298-C327 PolarHBondContact O-SG 2.91Å; V318-C327 HydrophobicContact CG1-CB 3.98Å; V318-C327 WeakPolarHBondContact CG1-SG 3.24Å; R320-C327 PolarHBondContact NH1-SG 3.46Å; C327-G329 PolarHBondContact O-N 3.47Å
328K85.3Confident86.4Confident117 Ų11764 Ų6451%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-75.517.2178.3-57.7-17171.7167.60113.1I319 D321 K326 Y330I319-K328 HydrophobicContact CG2-CD 4.13Å; I319-K328 WeakPolarHBondContact O-CB 3.33Å; I319-K328 PolarHBondContact O-N 3.34Å; D321-K328 HydrophobicContact CB-CD 4.32Å; D321-K328 HydrophobicContact CB-CG 4.06Å; K326-K328 PolarHBondContact O-N 3.19Å; K328-Y330 HydrophobicContact CB-CD1 4.03Å; K328-Y330 HydrophobicContact CB-CE1 3.76Å; K328-Y330 WeakPolarHBondContact O-CD1 3.49Å
329G88.8Confident86.3Confident11 Ų1170.7 Ų70.711%0.11335%0.347CS..EExtended strand (participates in β ladder)trans78.810.1-176.500000115.5Y292 N293 L294 C327Y292-G329 CarbonylContact C-O 3.49Å; N293-G329 PolarHBondContact N-O 3.47Å; L294-G329 PolarHBondContact N-O 2.92Å; C327-G329 PolarHBondContact O-N 3.47Å
330Y92.5Very high86.5Confident66 Ų6671.5 Ų71.526%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-149.3156.4178.269.6-84.5000115.4F290 V291 I319 K328 F332F290-Y330 HydrophobicContact CD2-CD2 4.46Å; F290-Y330 AromaticContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CE2 4.47Å; F290-Y330 HydrophobicContact CE2-CG 4.02Å; V291-Y330 CarbonylContact O-C 3.51Å; V291-Y330 WeakPolarHBondContact O-CA 3.46Å; V291-Y330 VanDerWaalsContact O-CB 3.3Å; V291-Y330 WeakPolarHBondContact O-CB 3.37Å; I319-Y330 HydrophobicContact CB-CD2 3.94Å; I319-Y330 HydrophobicContact CB-CE1 4.34Å; I319-Y330 HydrophobicContact CB-CE2 3.65Å; I319-Y330 HydrophobicContact CB-CG 4.45Å; I319-Y330 HydrophobicContact CG1-CD2 3.79Å; I319-Y330 HydrophobicContact CG1-CE2 3.49Å; I319-Y330 VanDerWaalsContact CG1-CE2 3.49Å; I319-Y330 HydrophobicContact CG2-CE1 4.21Å; I319-Y330 HydrophobicContact CG2-CE2 3.88Å; I319-Y330 PolarHBondContact N-O 3.37Å; K328-Y330 HydrophobicContact CB-CD1 4.03Å; K328-Y330 HydrophobicContact CB-CE1 3.76Å; K328-Y330 WeakPolarHBondContact O-CD1 3.49Å; Y330-F332 HydrophobicContact CD2-CE2 4.27Å; Y330-F332 HydrophobicContact CD2-CZ 4.42Å; Y330-F332 HydrophobicContact CE2-CE2 4.1Å; Y330-F332 HydrophobicContact CE2-CZ 4.3Å
331A93.6Very high86.6Confident0 Ų067 Ų670%033%0.333CS..EExtended strand (participates in β ladder)trans-142.7165.7179.200000111.5V291 L294 L303 K317 V318V291-A331 PolarHBondContact N-O 3.25Å; V291-A331 PolarHBondContact O-N 3.04Å; L294-A331 HydrophobicContact CD1-CB 3.62Å; L303-A331 HydrophobicContact CD1-CB 3.53Å; K317-A331 CarbonylContact O-C 3.59Å; K317-A331 WeakPolarHBondContact O-CA 3.43Å; V318-A331 HydrophobicContact CB-CB 4.39Å; V318-A331 HydrophobicContact CG2-CB 3.89Å
332F93.5Very high87.1Confident46 Ų4668.1 Ų68.120%0.20234%0.339CS..EExtended strand (participates in β ladder)trans-116.7129.9166.3-59.7-78.5000109.2I289 F290 I316 K317 I319 Y330 K363I289-F332 CarbonylContact O-C 3.6Å; I289-F332 VanDerWaalsContact O-CA 3.3Å; I289-F332 WeakPolarHBondContact O-CA 3.27Å; F290-F332 HydrophobicContact CB-CD1 4.38Å; F290-F332 HydrophobicContact CB-CE1 4.28Å; F290-F332 HydrophobicContact CD2-CD1 4.11Å; F290-F332 AromaticContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CZ 4.05Å; F290-F332 HydrophobicContact CE2-CE1 4.34Å; F290-F332 HydrophobicContact CE2-CZ 4.42Å; F290-F332 HydrophobicContact CG-CE1 4.33Å; I316-F332 CarbonylContact C-O 3.56Å; I316-F332 WeakPolarHBondContact CA-O 3.44Å; K317-F332 PolarHBondContact N-O 2.95Å; K317-F332 PolarHBondContact O-N 2.81Å; I319-F332 HydrophobicContact CD1-CD2 4.13Å; I319-F332 HydrophobicContact CD1-CE2 4.1Å; I319-F332 HydrophobicContact CG1-CD2 4.03Å; I319-F332 HydrophobicContact CG1-CE2 3.84Å; Y330-F332 HydrophobicContact CD2-CE2 4.27Å; Y330-F332 HydrophobicContact CD2-CZ 4.42Å; Y330-F332 HydrophobicContact CE2-CE2 4.1Å; Y330-F332 HydrophobicContact CE2-CZ 4.3Å; F332-K363 HydrophobicContact CD1-CD 3.83Å; F332-K363 HydrophobicContact CD1-CG 4.09Å; F332-K363 HydrophobicContact CE1-CD 3.93Å; F332-K363 HydrophobicContact CE1-CG 3.88Å
333V93.6Very high87.8Confident0 Ų062.1 Ų62.10%032%0.317CS..EExtended strand (participates in β ladder)trans-116.8128.4174.1178.70000107.2I289 V291 F307 V313 N315 I316 M335I289-V333 WeakPolarHBondContact CA-O 3.48Å; I289-V333 HydrophobicContact CB-CB 4.49Å; I289-V333 WeakPolarHBondContact CB-O 3.43Å; I289-V333 PolarHBondContact N-O 2.95Å; I289-V333 PolarHBondContact O-N 2.69Å; V291-V333 HydrophobicContact CG2-CG2 4.04Å; F307-V333 HydrophobicContact CB-CG1 4.16Å; F307-V333 HydrophobicContact CD1-CB 4.44Å; F307-V333 HydrophobicContact CD1-CG1 3.89Å; F307-V333 HydrophobicContact CD2-CG1 4.24Å; F307-V333 HydrophobicContact CD2-CG2 3.98Å; F307-V333 HydrophobicContact CE1-CB 4.46Å; F307-V333 HydrophobicContact CE1-CG1 4.38Å; F307-V333 HydrophobicContact CE2-CG2 3.93Å; F307-V333 HydrophobicContact CG-CB 4.48Å; F307-V333 HydrophobicContact CG-CG1 3.82Å; F307-V333 HydrophobicContact CG-CG2 4.4Å; F307-V333 HydrophobicContact CZ-CG2 4.3Å; V313-V333 HydrophobicContact CG1-CG1 3.89Å; V313-V333 HydrophobicContact CG2-CG1 4.3Å; N315-V333 CarbonylContact O-C 3.59Å; I316-V333 HydrophobicContact CD1-CG2 4.42Å; I316-V333 HydrophobicContact CG1-CG1 4.35Å; I316-V333 HydrophobicContact CG1-CG2 4.32Å; I316-V333 HydrophobicContact CG2-CG2 4.27Å; V333-M335 HydrophobicContact CG1-SD 4.1Å
334T91.5Very high88.5Confident17 Ų1754.2 Ų54.210%0.10428%0.276CS..EExtended strand (participates in β ladder)trans-108.8109.7179.9-51.80000107.9L314 N315L314-T334 WeakPolarHBondContact CA-O 3.34Å; L314-T334 HydrophobicContact CB-CG2 4.22Å; L314-T334 VanDerWaalsContact CB-O 3.29Å; L314-T334 WeakPolarHBondContact CB-O 3.46Å; L314-T334 HydrophobicContact CD2-CG2 4.03Å; L314-T334 PolarHBondContact N-O 3.48Å; N315-T334 PolarHBondContact N-O 2.9Å; N315-T334 PolarHBondContact O-N 3Å
335M90.6Very high89.1Confident0 Ų051.5 Ų51.50%026%0.258CS..EExtended strand (participates in β ladder)trans-81.4157.2173.9-58-58.8-70.400110.3G286 F287 I289 F307 F310 A312 V313 V333 E340 A341G286-M335 CarbonylContact C-O 3.56Å; G286-M335 VanDerWaalsContact C-O 3.27Å; G286-M335 WeakPolarHBondContact CA-O 3.22Å; F287-M335 PolarHBondContact N-O 2.93Å; F287-M335 PolarHBondContact O-N 3.12Å; F287-M335 VanDerWaalsContact O-N 3.09Å; I289-M335 HydrophobicContact CD1-CG 3.59Å; I289-M335 HydrophobicContact CD1-SD 4.45Å; I289-M335 HydrophobicContact CG1-CG 4.39Å; F307-M335 HydrophobicContact CB-SD 4.29Å; F307-M335 HydrophobicContact CD1-SD 4.03Å; F310-M335 HydrophobicContact CB-CE 4.42Å; A312-M335 CarbonylContact O-C 3.5Å; V313-M335 HydrophobicContact CG2-CE 4.24Å; V313-M335 HydrophobicContact CG2-SD 3.7Å; V333-M335 HydrophobicContact CG1-SD 4.1Å; M335-E340 HydrophobicContact CE-CB 4.15Å; M335-A341 HydrophobicContact CB-CB 3.95Å; M335-A341 HydrophobicContact CG-CB 3.84Å
336V89.5Confident89.9Confident45 Ų4552.6 Ų52.627%0.27326%0.261SS..SBendtrans-73.3-45.4172.8176.80000111F287 A312 L314F287-V336 WeakPolarHBondContact CD2-O 3.2Å; F287-V336 WeakPolarHBondContact CE2-O 3.27Å; A312-V336 HydrophobicContact CB-CB 4.06Å; A312-V336 HydrophobicContact CB-CG2 3.71Å; A312-V336 WeakPolarHBondContact O-CG2 3.36Å; A312-V336 PolarHBondContact O-N 2.94Å; L314-V336 HydrophobicContact CB-CG2 4.29Å; L314-V336 HydrophobicContact CD1-CG2 4.02Å
337N88.5Confident90.7Very high77 Ų7749.7 Ų49.741%0.41226%0.257SS..SBendtrans-109.4153.1-174.1-62.9-39.6000113.7E340 A341N337-E340 HydrophobicContact CB-CB 4.14Å; N337-E340 HydrophobicContact CB-CG 3.81Å; N337-E340 PolarHBondContact ND2-OE1 3.06Å; N337-A341 WeakPolarHBondContact O-CB 3.43Å; N337-A341 PolarHBondContact O-N 3.11Å
338Y88.8Confident91.3Very high124 Ų12449.4 Ų49.449%0.48626%0.255SS..Hα-helixtrans-72.1-42.6-178.3178.1-104.9000112.5F287 A341 L342 F362F287-Y338 AromaticContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CG 4.28Å; F287-Y338 AromaticContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CG 4.19Å; F287-Y338 VanDerWaalsContact CE2-N 3.28Å; F287-Y338 HydrophobicContact CG-CD2 4.31Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.34Å; Y338-L342 HydrophobicContact CE1-CD2 4.48Å; Y338-L342 WeakPolarHBondContact O-CB 3.46Å; Y338-L342 PolarHBondContact O-N 3.22Å; Y338-F362 HydrophobicContact CD2-CE1 4.11Å; Y338-F362 AromaticContact CD2-CZ 3.84Å; Y338-F362 HydrophobicContact CD2-CZ 3.84Å; Y338-F362 AromaticContact CE2-CE1 3.98Å; Y338-F362 HydrophobicContact CE2-CE1 3.98Å; Y338-F362 AromaticContact CE2-CE2 3.87Å; Y338-F362 HydrophobicContact CE2-CE2 3.87Å; Y338-F362 AromaticContact CE2-CZ 3.41Å; Y338-F362 HydrophobicContact CE2-CZ 3.41Å; Y338-F362 VanDerWaalsContact CE2-CZ 3.41Å
339E89.2Confident91.6Very high152 Ų15248.2 Ų48.271%0.7126%0.255SS*.Hα-helixtrans-66.8-41.5-179.2-173.9174.3-169.300111.7A341 L342 S343E339-A341 VanDerWaalsContact C-N 3.32Å; E339-A341 PolarHBondContact O-N 2.83Å; E339-L342 PolarHBondContact O-N 3.49Å; E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 2.92Å; E339-S343 PolarHBondContact O-OG 2.83Å
340E92.1Very high91.6Very high48 Ų4849.3 Ų49.322%0.22427%0.266CS..Hα-helixtrans-57-44.8169.1-66176.8-169.800111.1F310 G311 A312 M335 N337 S343 A344F310-E340 WeakPolarHBondContact O-CB 3.43Å; F310-E340 VanDerWaalsContact O-CG 3.27Å; F310-E340 WeakPolarHBondContact O-CG 3.46Å; G311-E340 VanDerWaalsContact CA-CD 3.45Å; G311-E340 VanDerWaalsContact CA-OE2 3.24Å; G311-E340 WeakPolarHBondContact CA-OE2 3.14Å; A312-E340 PolarHBondContact N-OE2 3.27Å; M335-E340 HydrophobicContact CE-CB 4.15Å; N337-E340 HydrophobicContact CB-CB 4.14Å; N337-E340 HydrophobicContact CB-CG 3.81Å; N337-E340 PolarHBondContact ND2-OE1 3.06Å; E340-S343 PolarHBondContact O-N 3.01Å; E340-A344 WeakPolarHBondContact O-CB 3.3Å; E340-A344 PolarHBondContact O-N 3.48Å
341A92.1Very high91.6Very high0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-66.7-41178.200000113.3F287 I289 M335 N337 Y338 E339 A344 I345 F362F287-A341 HydrophobicContact CB-CB 3.81Å; I289-A341 HydrophobicContact CD1-CB 3.93Å; I289-A341 HydrophobicContact CG1-CB 4.24Å; M335-A341 HydrophobicContact CB-CB 3.95Å; M335-A341 HydrophobicContact CG-CB 3.84Å; N337-A341 WeakPolarHBondContact O-CB 3.43Å; N337-A341 PolarHBondContact O-N 3.11Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.34Å; E339-A341 VanDerWaalsContact C-N 3.32Å; E339-A341 PolarHBondContact O-N 2.83Å; A341-A344 PolarHBondContact O-N 3.45Å; A341-I345 WeakPolarHBondContact O-CB 3.44Å; A341-I345 WeakPolarHBondContact O-CD1 3.47Å; A341-I345 VanDerWaalsContact O-CG1 3.27Å; A341-I345 WeakPolarHBondContact O-CG1 3.25Å; A341-I345 PolarHBondContact O-N 2.89Å; A341-F362 HydrophobicContact CB-CE1 3.74Å; A341-F362 HydrophobicContact CB-CZ 4.16Å
342L91.2Very high91.4Very high74 Ų7454.6 Ų54.639%0.38730%0.298SS..Hα-helixtrans-66.5-40.1177-174.968.3000111.4Y338 E339 I345 T346 F362Y338-L342 HydrophobicContact CE1-CD2 4.48Å; Y338-L342 WeakPolarHBondContact O-CB 3.46Å; Y338-L342 PolarHBondContact O-N 3.22Å; E339-L342 PolarHBondContact O-N 3.49Å; L342-I345 PolarHBondContact O-N 3.37Å; L342-T346 WeakPolarHBondContact O-CB 3.22Å; L342-T346 PolarHBondContact O-N 2.9Å; L342-T346 PolarHBondContact O-OG1 3.42Å; L342-F362 HydrophobicContact CB-CZ 4.34Å; L342-F362 HydrophobicContact CD1-CE2 4.01Å; L342-F362 HydrophobicContact CD1-CZ 4.48Å
343S92.4Very high91Very high56 Ų5653.1 Ų53.139%0.39229%0.292SS..Hα-helixtrans-63.8-46.4174.6-58.20000111.3E339 E340 I345 T346 S347E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 2.92Å; E339-S343 PolarHBondContact O-OG 2.83Å; E340-S343 PolarHBondContact O-N 3.01Å; S343-I345 PolarHBondContact O-N 3.29Å; S343-T346 PolarHBondContact O-N 2.93Å; S343-S347 PolarHBondContact O-N 3.39Å
344A93.8Very high90.5Very high0 Ų057.2 Ų57.20%031%0.314CS..Hα-helixtrans-59.2-45.6174.400000112I289 F307 F310 E340 A341 L348I289-A344 HydrophobicContact CD1-CB 4.23Å; F307-A344 HydrophobicContact CD1-CB 3.85Å; F307-A344 HydrophobicContact CE1-CB 3.93Å; F310-A344 HydrophobicContact CB-CB 3.73Å; F310-A344 HydrophobicContact CD1-CB 4.25Å; F310-A344 HydrophobicContact CD2-CB 3.96Å; F310-A344 HydrophobicContact CG-CB 3.7Å; E340-A344 WeakPolarHBondContact O-CB 3.3Å; E340-A344 PolarHBondContact O-N 3.48Å; A341-A344 PolarHBondContact O-N 3.45Å; A344-L348 HydrophobicContact CB-CD1 4.41Å; A344-L348 WeakPolarHBondContact O-CB 3.38Å; A344-L348 VanDerWaalsContact O-CG 3.22Å; A344-L348 WeakPolarHBondContact O-CG 3.13Å; A344-L348 PolarHBondContact O-N 3.09Å
345I93.4Very high90.3Very high22 Ų2264.5 Ų64.511%0.11335%0.352CS..Hα-helixtrans-58.5-50.9175-74.4160.2000110.5I289 A341 L342 S343 S347 L348 D349 V360 F362I289-I345 HydrophobicContact CD1-CG1 4.31Å; I289-I345 HydrophobicContact CG1-CD1 4.3Å; I289-I345 HydrophobicContact CG1-CG1 4.42Å; I289-I345 HydrophobicContact CG2-CG1 4.1Å; A341-I345 WeakPolarHBondContact O-CB 3.44Å; A341-I345 WeakPolarHBondContact O-CD1 3.47Å; A341-I345 VanDerWaalsContact O-CG1 3.27Å; A341-I345 WeakPolarHBondContact O-CG1 3.25Å; A341-I345 PolarHBondContact O-N 2.89Å; L342-I345 PolarHBondContact O-N 3.37Å; S343-I345 PolarHBondContact O-N 3.29Å; I345-S347 VanDerWaalsContact C-N 3.29Å; I345-S347 PolarHBondContact O-N 3.48Å; I345-L348 PolarHBondContact O-N 2.91Å; I345-D349 VanDerWaalsContact O-CB 3.25Å; I345-D349 WeakPolarHBondContact O-CB 3.39Å; I345-D349 PolarHBondContact O-N 3.42Å; I345-V360 HydrophobicContact CG1-CG1 3.96Å; I345-F362 HydrophobicContact CD1-CD1 3.79Å; I345-F362 HydrophobicContact CD1-CD2 3.55Å; I345-F362 HydrophobicContact CD1-CE1 3.74Å; I345-F362 HydrophobicContact CD1-CE2 3.49Å; I345-F362 VanDerWaalsContact CD1-CE2 3.49Å; I345-F362 HydrophobicContact CD1-CG 3.7Å; I345-F362 HydrophobicContact CD1-CZ 3.59Å
346T92.1Very high90.2Very high106 Ų10669.2 Ų69.265%0.6537%0.37SS*.Hα-helixtrans-64.8-31.4-174.2-53.10000113L342 S343L342-T346 WeakPolarHBondContact O-CB 3.22Å; L342-T346 PolarHBondContact O-N 2.9Å; L342-T346 PolarHBondContact O-OG1 3.42Å; S343-T346 PolarHBondContact O-N 2.93Å
347S92.7Very high90.2Very high72 Ų7273.7 Ų73.750%0.50339%0.386SS..Hα-helixtrans-92.7-23.5178.2-67.10000115F310 S343 I345F310-S347 VanDerWaalsContact CE1-CB 3.44Å; F310-S347 VanDerWaalsContact CZ-CB 3.45Å; S343-S347 PolarHBondContact O-N 3.39Å; I345-S347 VanDerWaalsContact C-N 3.29Å; I345-S347 PolarHBondContact O-N 3.48Å
348L93Very high90.5Very high5 Ų570.1 Ų70.13%0.02637%0.367CS..Hα-helixtrans-102.6-17.9-176.9-59.8176.8000113.8L306 F307 F310 A344 I345 G350 F351 V360L306-L348 HydrophobicContact CD1-CD2 3.67Å; L306-L348 HydrophobicContact CD2-CD1 4.14Å; L306-L348 HydrophobicContact CD2-CD2 4.07Å; L306-L348 HydrophobicContact CG-CD1 3.88Å; L306-L348 HydrophobicContact CG-CD2 3.64Å; L306-L348 HydrophobicContact CG-CG 4.4Å; F307-L348 HydrophobicContact CD1-CD1 3.92Å; F307-L348 HydrophobicContact CD2-CD1 4.03Å; F307-L348 HydrophobicContact CE1-CD1 3.66Å; F307-L348 HydrophobicContact CE2-CD1 3.78Å; F307-L348 HydrophobicContact CG-CD1 4.1Å; F307-L348 HydrophobicContact CZ-CD1 3.58Å; F310-L348 HydrophobicContact CD2-CD1 4.17Å; F310-L348 HydrophobicContact CE2-CD1 3.8Å; F310-L348 HydrophobicContact CE2-CD2 3.88Å; F310-L348 HydrophobicContact CE2-CG 3.76Å; F310-L348 HydrophobicContact CZ-CD2 4.22Å; F310-L348 HydrophobicContact CZ-CG 4.13Å; A344-L348 HydrophobicContact CB-CD1 4.41Å; A344-L348 WeakPolarHBondContact O-CB 3.38Å; A344-L348 VanDerWaalsContact O-CG 3.22Å; A344-L348 WeakPolarHBondContact O-CG 3.13Å; A344-L348 PolarHBondContact O-N 3.09Å; I345-L348 PolarHBondContact O-N 2.91Å; L348-G350 PolarHBondContact O-N 3.28Å; L348-F351 HydrophobicContact CD2-CG 4.4Å; L348-F351 WeakPolarHBondContact O-CB 3.38Å; L348-F351 PolarHBondContact O-N 2.74Å; L348-F351 VanDerWaalsContact O-N 3.09Å; L348-V360 HydrophobicContact CB-CB 4.46Å; L348-V360 HydrophobicContact CB-CG1 4.44Å; L348-V360 HydrophobicContact CB-CG2 3.9Å; L348-V360 WeakPolarHBondContact O-CG2 3.46Å
349D91.2Very high90.6Very high92 Ų9269.5 Ų69.549%0.49237%0.368SS..THydrogen-bonded Turntrans-66.5127.2171.6-165.948.9000110.4I345 F351 Q359 V360I345-D349 VanDerWaalsContact O-CB 3.25Å; I345-D349 WeakPolarHBondContact O-CB 3.39Å; I345-D349 PolarHBondContact O-N 3.42Å; D349-F351 PolarHBondContact O-N 2.92Å; D349-Q359 VanDerWaalsContact OD1-CA 3.31Å; D349-Q359 WeakPolarHBondContact OD1-CA 3.45Å; D349-V360 HydrophobicContact CB-CB 4.17Å; D349-V360 PolarHBondContact OD1-N 3.35Å
350G88.9Confident90.8Very high34 Ų3462.5 Ų62.535%0.35134%0.336SS..THydrogen-bonded Turntrans77.6-5.1-171.300000115.7L348 T352 L358L348-G350 PolarHBondContact O-N 3.28Å; G350-T352 PolarHBondContact O-N 3.03Å; G350-L358 WeakPolarHBondContact CA-O 3.31Å; G350-L358 PolarHBondContact N-O 2.83Å
351F91.4Very high90.8Very high86 Ų8662.5 Ų62.538%0.37734%0.341SS..  trans-59.5134.8178.4-178.4-92.5000111.4L306 L348 D349 L353 K357 L358L306-F351 HydrophobicContact CD1-CD1 4.24Å; L306-F351 HydrophobicContact CD1-CE1 3.91Å; L306-F351 HydrophobicContact CD1-CZ 4.28Å; L348-F351 HydrophobicContact CD2-CG 4.4Å; L348-F351 WeakPolarHBondContact O-CB 3.38Å; L348-F351 PolarHBondContact O-N 2.74Å; L348-F351 VanDerWaalsContact O-N 3.09Å; D349-F351 PolarHBondContact O-N 2.92Å; F351-L353 HydrophobicContact CD1-CB 4.31Å; F351-L353 HydrophobicContact CE1-CB 4.3Å; F351-L353 HydrophobicContact CE1-CD1 4.47Å; F351-L353 PolarHBondContact O-N 3.09Å; F351-K357 WeakPolarHBondContact O-CA 3.43Å; F351-L358 HydrophobicContact CD1-CD1 4.15Å; F351-L358 WeakPolarHBondContact O-CG 3.41Å; F351-L358 PolarHBondContact O-N 3.38Å
352T89.3Confident90.8Very high90 Ų9065.8 Ų65.855%0.55236%0.356SS*.EExtended strand (participates in β ladder)trans-88.7109.7-179.2480000111.9G350 R356 K357G350-T352 PolarHBondContact O-N 3.03Å; T352-R356 CarbonylContact C-O 3.55Å; T352-R356 WeakPolarHBondContact CA-O 3.41Å; T352-K357 HydrophobicContact CG2-CG 3.82Å
353L85Confident90.6Very high15 Ų1567 Ų678%0.07936%0.358CS..EExtended strand (participates in β ladder)trans-118.3128.3171.6-172.969.5000108.6V298 F351 N355 R356 L358V298-L353 HydrophobicContact CG2-CD2 3.81Å; F351-L353 HydrophobicContact CD1-CB 4.31Å; F351-L353 HydrophobicContact CE1-CB 4.3Å; F351-L353 HydrophobicContact CE1-CD1 4.47Å; F351-L353 PolarHBondContact O-N 3.09Å; L353-N355 VanDerWaalsContact C-N 3.34Å; L353-N355 PolarHBondContact O-N 3.25Å; L353-R356 PolarHBondContact N-O 3.26Å; L353-R356 WeakPolarHBondContact O-CA 3.32Å; L353-R356 WeakPolarHBondContact O-CB 3.47Å; L353-R356 PolarHBondContact O-N 3.13Å; L353-L358 HydrophobicContact CB-CD1 4.22Å; L353-L358 HydrophobicContact CB-CD2 4.15Å; L353-L358 HydrophobicContact CB-CG 4.17Å; L353-L358 HydrophobicContact CD2-CD1 4.35Å; L353-L358 HydrophobicContact CD2-CD2 4.4Å
354D84.6Confident89.8Confident86 Ų8670.2 Ų70.246%0.4638%0.375SS..THydrogen-bonded Turntrans49.548.9179.2-48-28.1000113.8S295 R356S295-D354 WeakPolarHBondContact CB-OD2 3.37Å; D354-R356 PolarHBondContact O-N 3.11Å; D354-R356 VanDerWaalsContact O-N 3.07Å
355N86.6Confident88.1Confident171 Ų17174.3 Ų74.391%0.91441%0.409SS*.THydrogen-bonded Turntrans58.714.1-175.2-68.366.1000115.2L353L353-N355 VanDerWaalsContact C-N 3.34Å; L353-N355 PolarHBondContact O-N 3.25Å
356R88Confident86Confident99 Ų9979.1 Ų79.137%0.37444%0.435SS..EExtended strand (participates in β ladder)trans-115.4135.4176.7-63.4177.3-177.7-150.1-8.1110.5N293 L294 T352 L353 D354 L358N293-R356 WeakPolarHBondContact O-CB 3.34Å; N293-R356 WeakPolarHBondContact O-CD 3.2Å; L294-R356 PolarHBondContact O-NH1 3.05Å; L294-R356 VanDerWaalsContact O-NH1 3.09Å; T352-R356 CarbonylContact C-O 3.55Å; T352-R356 WeakPolarHBondContact CA-O 3.41Å; L353-R356 PolarHBondContact N-O 3.26Å; L353-R356 WeakPolarHBondContact O-CA 3.32Å; L353-R356 WeakPolarHBondContact O-CB 3.47Å; L353-R356 PolarHBondContact O-N 3.13Å; D354-R356 PolarHBondContact O-N 3.11Å; D354-R356 VanDerWaalsContact O-N 3.07Å; R356-L358 PolarHBondContact O-N 2.81Å
357K90.8Very high83.7Confident139 Ų13979.5 Ų79.560%0.60444%0.439SS*.EExtended strand (participates in β ladder)trans-79.4118.5170.1-68.6-171.1177.1-170.30109.1N293 F351 T352N293-K357 WeakPolarHBondContact CB-O 3.47Å; N293-K357 PolarHBondContact ND2-O 2.87Å; F351-K357 WeakPolarHBondContact O-CA 3.43Å; T352-K357 HydrophobicContact CG2-CG 3.82Å
358L93Very high81.3Confident2 Ų286.3 Ų86.31%0.0145%0.454CS..  trans-63.9146.6174.1-60.2-174.4000110.1L294 L306 G350 F351 L353 R356 V360L294-L358 HydrophobicContact CD2-CD2 3.68Å; L306-L358 HydrophobicContact CD2-CD1 3.61Å; G350-L358 WeakPolarHBondContact CA-O 3.31Å; G350-L358 PolarHBondContact N-O 2.83Å; F351-L358 HydrophobicContact CD1-CD1 4.15Å; F351-L358 WeakPolarHBondContact O-CG 3.41Å; F351-L358 PolarHBondContact O-N 3.38Å; L353-L358 HydrophobicContact CB-CD1 4.22Å; L353-L358 HydrophobicContact CB-CD2 4.15Å; L353-L358 HydrophobicContact CB-CG 4.17Å; L353-L358 HydrophobicContact CD2-CD1 4.35Å; L353-L358 HydrophobicContact CD2-CD2 4.4Å; R356-L358 PolarHBondContact O-N 2.81Å; L358-V360 HydrophobicContact CB-CG2 4.01Å
359Q92Very high78.7Confident111 Ų11195.7 Ų95.752%0.51950%0.495SS..EExtended strand (participates in β ladder)trans-113.3119.3167-75.2-179.1-23.500107.8V291 Y292 D349V291-Q359 CarbonylContact C-O 3.57Å; V291-Q359 WeakPolarHBondContact CA-O 3.17Å; Y292-Q359 VanDerWaalsContact CD1-OE1 3.29Å; Y292-Q359 PolarHBondContact N-O 3.43Å; Y292-Q359 PolarHBondContact O-N 2.92Å; D349-Q359 VanDerWaalsContact OD1-CA 3.31Å; D349-Q359 WeakPolarHBondContact OD1-CA 3.45Å
360V94.2Very high76.1Confident4 Ų499.5 Ų99.52%0.02451%0.513CS..EExtended strand (participates in β ladder)trans-127.6121.8-169.8-168.80000108.8I289 F290 V291 F307 I345 L348 D349 L358I289-V360 HydrophobicContact CG2-CG1 3.42Å; I289-V360 VanDerWaalsContact CG2-CG1 3.42Å; F290-V360 WeakPolarHBondContact O-CA 3.29Å; V291-V360 HydrophobicContact CG1-CG2 4.38Å; F307-V360 HydrophobicContact CE1-CG1 4.34Å; F307-V360 HydrophobicContact CZ-CG1 4.02Å; I345-V360 HydrophobicContact CG1-CG1 3.96Å; L348-V360 HydrophobicContact CB-CB 4.46Å; L348-V360 HydrophobicContact CB-CG1 4.44Å; L348-V360 HydrophobicContact CB-CG2 3.9Å; L348-V360 WeakPolarHBondContact O-CG2 3.46Å; D349-V360 HydrophobicContact CB-CB 4.17Å; D349-V360 PolarHBondContact OD1-N 3.35Å; L358-V360 HydrophobicContact CB-CG2 4.01Å
361S92.1Very high73.4Confident49 Ų49110.5 Ų110.534%0.34356%0.555SS.*EExtended strand (participates in β ladder)trans-153.5160.6-17353.50000111.5I289 F290 K363I289-S361 CarbonylContact C-O 3.58Å; I289-S361 WeakPolarHBondContact CA-O 3.34Å; I289-S361 WeakPolarHBondContact CG2-O 3.43Å; F290-S361 PolarHBondContact N-O 3.09Å; F290-S361 PolarHBondContact O-N 3.17Å; S361-K363 PolarHBondContact O-N 2.87Å
362F92.1Very high72.5Confident68 Ų68111.8 Ų111.830%0.29856%0.564SS.*EExtended strand (participates in β ladder)trans-63.8137.4168.7-72.4-68.9000110.6F287 Y338 A341 L342 I345 T364F287-F362 HydrophobicContact CB-CE1 4.26Å; Y338-F362 HydrophobicContact CD2-CE1 4.11Å; Y338-F362 AromaticContact CD2-CZ 3.84Å; Y338-F362 HydrophobicContact CD2-CZ 3.84Å; Y338-F362 AromaticContact CE2-CE1 3.98Å; Y338-F362 HydrophobicContact CE2-CE1 3.98Å; Y338-F362 AromaticContact CE2-CE2 3.87Å; Y338-F362 HydrophobicContact CE2-CE2 3.87Å; Y338-F362 AromaticContact CE2-CZ 3.41Å; Y338-F362 HydrophobicContact CE2-CZ 3.41Å; Y338-F362 VanDerWaalsContact CE2-CZ 3.41Å; A341-F362 HydrophobicContact CB-CE1 3.74Å; A341-F362 HydrophobicContact CB-CZ 4.16Å; L342-F362 HydrophobicContact CB-CZ 4.34Å; L342-F362 HydrophobicContact CD1-CE2 4.01Å; L342-F362 HydrophobicContact CD1-CZ 4.48Å; I345-F362 HydrophobicContact CD1-CD1 3.79Å; I345-F362 HydrophobicContact CD1-CD2 3.55Å; I345-F362 HydrophobicContact CD1-CE1 3.74Å; I345-F362 HydrophobicContact CD1-CE2 3.49Å; I345-F362 VanDerWaalsContact CD1-CE2 3.49Å; I345-F362 HydrophobicContact CD1-CG 3.7Å; I345-F362 HydrophobicContact CD1-CZ 3.59Å; F362-T364 PolarHBondContact O-N 3.07Å
363K86Confident71.6Confident100 Ų100112.9 Ų112.944%0.43557%0.565SS.*  trans-67.9102.2179.9177.7-167175.1-170.10110.7P288 F290 F332 S361P288-K363 HydrophobicContact CB-CB 3.92Å; P288-K363 HydrophobicContact CB-CD 3.77Å; P288-K363 HydrophobicContact CG-CB 4.03Å; P288-K363 HydrophobicContact CG-CD 4.08Å; P288-K363 WeakPolarHBondContact O-CB 3.48Å; P288-K363 PolarHBondContact O-N 3.5Å; F290-K363 HydrophobicContact CB-CB 4.44Å; F332-K363 HydrophobicContact CD1-CD 3.83Å; F332-K363 HydrophobicContact CD1-CG 4.09Å; F332-K363 HydrophobicContact CE1-CD 3.93Å; F332-K363 HydrophobicContact CE1-CG 3.88Å; S361-K363 PolarHBondContact O-N 2.87Å
364T76.6Confident70.8Confident123 Ų123118.3 Ų118.376%0.75559%0.592SS**PPolyproline II helixtrans-59.8135.3171.5-41.70000111.3F362 N366F362-T364 PolarHBondContact O-N 3.07Å; T364-N366 PolarHBondContact O-N 2.89Å
365A57.3Low70Confident86 Ų86120.2 Ų120.271%0.71160%0.6SS**PPolyproline II helixtrans-68.1126.5168.600000109.5P367A365-P367 WeakPolarHBondContact O-CD 3.45Å
366N50.2Low69Low124 Ų124117.1 Ų117.166%0.66358%0.58SS**PPolyproline II helixtrans-64.7118.2-177.7-178.51.5000110.6T364 R368T364-N366 PolarHBondContact O-N 2.89Å; N366-R368 PolarHBondContact O-N 3.28Å; N366-R368 PolarHBondContact OD1-N 3.49Å
367P43.8Very low67.7Low113 Ų113118.3 Ų118.373%0.73459%0.594SS**  trans-73.6-3.5-175.629.3-35.5000114.3A365 K369A365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-K369 PolarHBondContact O-N 3.5Å
368R40.6Very low66.1Low215 Ų215116.8 Ų116.881%0.81159%0.593SS**  trans-82.979.1-174.8-62.5-175.5-174.9177.12.7113N366N366-R368 PolarHBondContact O-N 3.28Å; N366-R368 PolarHBondContact OD1-N 3.49Å
369K39.6Very low64Low203 Ų203125.6 Ų125.688%0.88364%0.638SS**  trans-159.244.2160.3-120.5-180-170.4-173.60115P367P367-K369 PolarHBondContact O-N 3.5Å
370I37.1Very low61.7Low171 Ų171126.8 Ų126.888%0.87765%0.648SS**  trans-135.483.3167.2-52.6175.2000108.4
371Q30.6Very low58.7Low266 Ų266138 Ų138100%1.24371%0.705SS**  trans-162.40155.9-159.3161.818.700108.8

Retrieved 371 of 371 residues in 94.6 ms (Link to these results)