A0A5K4F9D2_SCHMA Loading...

Endo/exonuclease/phosphatase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9D2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 575 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
1M27.2Very low27.4Very low69 Ų6956.2 Ų56.234%0.3425%0.248SC..  0141.90-79-178.262.700109.4F56 P58 V69 Q75 Y182 A183M1-F56 WeakPolarHBondContact CE-O 3Å; M1-P58 HydrophobicContact CE-CG 3.44Å; M1-P58 VanDerWaalsContact CE-CG 3.44Å; M1-P58 HydrophobicContact SD-CG 3.7Å; M1-V69 HydrophobicContact SD-CB 4.1Å; M1-V69 HydrophobicContact SD-CG1 4.46Å; M1-V69 HydrophobicContact SD-CG2 3.96Å; M1-Q75 HydrophobicContact CE-CG 3.87Å; M1-Y182 HydrophobicContact CB-CD1 3.9Å; M1-Y182 HydrophobicContact CB-CE1 3.96Å; M1-Y182 HydrophobicContact CE-CE1 3.76Å; M1-Y182 WeakPolarHBondContact O-CA 3.32Å; M1-A183 PolarHBondContact O-N 2.47Å
2W24.5Very low27Very low90 Ų9061.2 Ų61.234%0.34129%0.293SS..EExtended strand (participates in β ladder)trans-96.8129.3-170.4-60.980.2000111.1R4 M266W2-R4 VanDerWaalsContact CD2-NH2 3.28Å; W2-R4 VanDerWaalsContact CZ3-NH2 3.3Å; W2-M266 HydrophobicContact CH2-CE 3.72Å; W2-M266 HydrophobicContact CH2-SD 4.12Å; W2-M266 HydrophobicContact CZ3-CE 3.56Å; W2-M266 HydrophobicContact CZ3-SD 4.48Å
3I27.2Very low26.7Very low2 Ų274.9 Ų74.91%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-102.5120.5154.8-85.8174.4000107.5V5 L55 L164 Y182 A183 V184 Q185I3-V5 HydrophobicContact CG2-CG2 3.72Å; I3-L55 HydrophobicContact CD1-CD1 3.42Å; I3-L55 VanDerWaalsContact CD1-CD1 3.42Å; I3-L55 HydrophobicContact CD1-CG 4.34Å; I3-L55 HydrophobicContact CG1-CB 4.13Å; I3-L55 HydrophobicContact CG1-CD1 3.16Å; I3-L55 HydrophobicContact CG1-CG 4.15Å; I3-L164 HydrophobicContact CD1-CB 3.63Å; I3-L164 HydrophobicContact CD1-CD2 3.18Å; I3-L164 HydrophobicContact CD1-CG 3.95Å; I3-Y182 HydrophobicContact CB-CD1 4.43Å; I3-Y182 HydrophobicContact CB-CG 4.26Å; I3-Y182 HydrophobicContact CD1-CD1 3.91Å; I3-Y182 HydrophobicContact CD1-CD2 3.55Å; I3-Y182 HydrophobicContact CD1-CE2 4.29Å; I3-Y182 HydrophobicContact CD1-CG 3.3Å; I3-Y182 HydrophobicContact CG1-CD1 3.52Å; I3-Y182 HydrophobicContact CG1-CD2 4.13Å; I3-Y182 HydrophobicContact CG1-CE1 4.26Å; I3-Y182 HydrophobicContact CG1-CG 3.41Å; I3-Y182 VanDerWaalsContact CG1-CG 3.41Å; I3-A183 CarbonylContact C-O 3.52Å; I3-A183 WeakPolarHBondContact CA-O 3.04Å; I3-A183 PolarHBondContact N-O 2.99Å; I3-V184 HydrophobicContact CG2-CG2 4.09Å; I3-V184 WeakPolarHBondContact O-CA 3.29Å; I3-Q185 PolarHBondContact O-N 3.38Å
4R28.7Very low26.5Very low1 Ų181.6 Ų81.60%0.00437%0.371CS..EExtended strand (participates in β ladder)trans-106.794.3175.5-75.1-167.3173.4103.922.2108.7W2 S6 E54 Q185 P188 T267 G268 V269W2-R4 VanDerWaalsContact CD2-NH2 3.28Å; W2-R4 VanDerWaalsContact CZ3-NH2 3.3Å; R4-S6 PolarHBondContact O-N 3.05Å; R4-E54 CarbonylContact C-O 3.48Å; R4-E54 PolarHBondContact N-O 2.78Å; R4-E54 PolarHBondContact O-N 2.85Å; R4-Q185 HydrophobicContact CG-CB 4.29Å; R4-P188 HydrophobicContact CB-CG 4.31Å; R4-P188 HydrophobicContact CG-CB 4.43Å; R4-T267 PolarHBondContact NE-O 3.03Å; R4-T267 PolarHBondContact NH2-O 3.25Å; R4-G268 VanDerWaalsContact CZ-C 3.47Å; R4-G268 PolarHBondContact NE-O 2.64Å; R4-G268 VanDerWaalsContact NH1-C 3.32Å; R4-G268 PolarHBondContact NH1-O 3Å; R4-V269 HydrophobicContact CB-CG2 3.79Å; R4-V269 HydrophobicContact CG-CG2 4.4Å
5V27.1Very low26.5Very low7 Ų785.9 Ų85.94%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-74.7109.2168.7174.50000107.8I3 F7 L51 A53 V184I3-V5 HydrophobicContact CG2-CG2 3.72Å; V5-F7 HydrophobicContact CB-CE2 3.93Å; V5-F7 HydrophobicContact CB-CZ 4.15Å; V5-F7 HydrophobicContact CG1-CD2 4.14Å; V5-F7 HydrophobicContact CG1-CE1 3.93Å; V5-F7 HydrophobicContact CG1-CE2 3.51Å; V5-F7 HydrophobicContact CG1-CZ 3.41Å; V5-F7 VanDerWaalsContact CG1-CZ 3.41Å; V5-F7 WeakPolarHBondContact O-CD2 3.5Å; V5-F7 VanDerWaalsContact O-CE2 3.25Å; V5-F7 WeakPolarHBondContact O-CE2 3.41Å; V5-F7 PolarHBondContact O-N 2.77Å; V5-L51 HydrophobicContact CG1-CD1 3.7Å; V5-L51 HydrophobicContact CG1-CD2 3.78Å; V5-L51 HydrophobicContact CG1-CG 3.95Å; V5-A53 HydrophobicContact CB-CB 4.01Å; V5-A53 HydrophobicContact CG1-CB 3.98Å; V5-A53 HydrophobicContact CG2-CB 3.85Å; V5-V184 HydrophobicContact CB-CG1 3.85Å; V5-V184 HydrophobicContact CG2-CG1 3.66Å
6S24.8Very low26.4Very low7 Ų788.6 Ų88.65%0.04942%0.416CS..EExtended strand (participates in β ladder)trans-95.995.7-176.9-64.10000110.7R4 R8 I52 P188 V269R4-S6 PolarHBondContact O-N 3.05Å; S6-R8 PolarHBondContact O-N 3.26Å; S6-I52 CarbonylContact C-O 3.58Å; S6-I52 WeakPolarHBondContact CA-O 3.37Å; S6-I52 PolarHBondContact N-O 3.49Å; S6-I52 CarbonylContact O-C 3.49Å; S6-I52 WeakPolarHBondContact O-CA 3.43Å; S6-I52 WeakPolarHBondContact O-CB 3.41Å; S6-I52 PolarHBondContact O-N 2.95Å; S6-P188 VanDerWaalsContact OG-CG 3.26Å; S6-P188 WeakPolarHBondContact OG-CG 3.4Å; S6-V269 WeakPolarHBondContact OG-CG2 3.28Å
7F34.4Very low26.5Very low15 Ų1594.4 Ų94.47%0.06644%0.439CS..EExtended strand (participates in β ladder)trans-63123.4-177.7-60.4-94.9000110.9V5 L51 F147 R186 N187V5-F7 HydrophobicContact CB-CE2 3.93Å; V5-F7 HydrophobicContact CB-CZ 4.15Å; V5-F7 HydrophobicContact CG1-CD2 4.14Å; V5-F7 HydrophobicContact CG1-CE1 3.93Å; V5-F7 HydrophobicContact CG1-CE2 3.51Å; V5-F7 HydrophobicContact CG1-CZ 3.41Å; V5-F7 VanDerWaalsContact CG1-CZ 3.41Å; V5-F7 WeakPolarHBondContact O-CD2 3.5Å; V5-F7 VanDerWaalsContact O-CE2 3.25Å; V5-F7 WeakPolarHBondContact O-CE2 3.41Å; V5-F7 PolarHBondContact O-N 2.77Å; F7-L51 HydrophobicContact CB-CD1 4.38Å; F7-L51 HydrophobicContact CD1-CD1 3.18Å; F7-L51 HydrophobicContact CE1-CD1 3.32Å; F7-L51 HydrophobicContact CG-CD1 3.88Å; F7-L51 HydrophobicContact CZ-CD1 4.18Å; F7-F147 HydrophobicContact CD1-CB 4.43Å; F7-F147 HydrophobicContact CE1-CB 3.38Å; F7-F147 AromaticContact CE1-CD1 3.8Å; F7-F147 HydrophobicContact CE1-CD1 3.8Å; F7-F147 HydrophobicContact CE1-CD2 4.25Å; F7-F147 AromaticContact CE1-CG 3.57Å; F7-F147 HydrophobicContact CE1-CG 3.57Å; F7-F147 HydrophobicContact CZ-CB 3.88Å; F7-F147 AromaticContact CZ-CD1 3.4Å; F7-F147 HydrophobicContact CZ-CD1 3.4Å; F7-F147 VanDerWaalsContact CZ-CD1 3.4Å; F7-F147 AromaticContact CZ-CE1 3.99Å; F7-F147 HydrophobicContact CZ-CE1 3.99Å; F7-F147 AromaticContact CZ-CG 3.7Å; F7-F147 HydrophobicContact CZ-CG 3.7Å; F7-R186 HydrophobicContact CD2-CB 3.8Å; F7-R186 HydrophobicContact CD2-CG 3.48Å; F7-R186 VanDerWaalsContact CD2-CG 3.48Å; F7-R186 HydrophobicContact CE2-CB 3.5Å; F7-R186 VanDerWaalsContact CE2-CB 3.5Å; F7-R186 HydrophobicContact CE2-CG 3.6Å; F7-R186 HydrophobicContact CG-CG 4.02Å; F7-R186 HydrophobicContact CZ-CB 4.28Å; F7-R186 HydrophobicContact CZ-CG 4.25Å; F7-N187 WeakPolarHBondContact CB-OD1 3.42Å
8R30.7Very low26.6Very low79 Ų7996.1 Ų96.130%0.29845%0.45SS..  trans-95.7129.8-175.8-134.1-177.4-154.1154.315.1108.6S6 C48 K50 I52 E81S6-R8 PolarHBondContact O-N 3.26Å; R8-C48 PolarHBondContact O-SG 3.45Å; R8-K50 WeakPolarHBondContact CB-O 3.49Å; R8-I52 HydrophobicContact CB-CD1 4.15Å; R8-I52 HydrophobicContact CB-CG1 3.9Å; R8-I52 HydrophobicContact CG-CD1 3.4Å; R8-I52 VanDerWaalsContact CG-CD1 3.4Å; R8-I52 HydrophobicContact CG-CG1 3.51Å; R8-E81 IonicContact CZ-OE2 2.82Å; R8-E81 IonicContact NH1-OE1 3.51Å; R8-E81 IonicContact NH1-OE2 3.69Å; R8-E81 PolarHBondContact NH1-OE2 3.25Å
9Y28Very low26.6Very low119 Ų11999.4 Ų99.447%0.46747%0.47SS..  trans-104.1110.4156.3-72.9-77.1000107.7F11 C48Y9-F11 HydrophobicContact CD1-CD2 4.44Å; Y9-F11 AromaticContact CD1-CE2 3.92Å; Y9-F11 HydrophobicContact CD1-CE2 3.92Å; Y9-F11 PolarHBondContact O-N 3.32Å; Y9-C48 HydrophobicContact CE1-CB 4.44Å
10L23.1Very low26.4Very low132 Ų132101.4 Ų101.469%0.69148%0.48SS*.  trans-90.681.5171.5-122.2153.1000107.2
11F26.1Very low26.4Very low97 Ų97106.1 Ų106.143%0.42550%0.502SS..  trans-87.4117.3175.1-98.5-67.5000112.1Y9 R13 Q46Y9-F11 HydrophobicContact CD1-CD2 4.44Å; Y9-F11 AromaticContact CD1-CE2 3.92Å; Y9-F11 HydrophobicContact CD1-CE2 3.92Å; Y9-F11 PolarHBondContact O-N 3.32Å; F11-R13 PolarHBondContact O-N 2.93Å; F11-Q46 HydrophobicContact CE1-CB 3.72Å; F11-Q46 HydrophobicContact CE1-CG 3.94Å; F11-Q46 HydrophobicContact CE2-CB 3.84Å; F11-Q46 HydrophobicContact CE2-CG 4.43Å; F11-Q46 HydrophobicContact CZ-CB 3.05Å; F11-Q46 HydrophobicContact CZ-CG 3.69Å
12C22.8Very low26.4Very low116 Ų116108 Ų10878%0.78452%0.518SS*.  trans-63.8122.8149.9-81.30000108.2
13R22.2Very low26.5Very low240 Ų240110 Ų11091%0.90654%0.535SS*.SBendtrans26.8122.6155.6-130.6174-179.4175.1-0.9116.8F11F11-R13 PolarHBondContact O-N 2.93Å
14H24.4Very low26.5Very low168 Ų168122.3 Ų122.378%0.77858%0.581SS**  trans100.564.9163.6-123.586.2000117
15Y26.7Very low26.7Very low146 Ų146126.2 Ų126.257%0.57361%0.609SS**  trans-155.264.9150.1-138.9-101.7000114.4I18Y15-I18 HydrophobicContact CE1-CB 3.96Å; Y15-I18 HydrophobicContact CE1-CD1 3.59Å; Y15-I18 HydrophobicContact CE1-CG1 3.49Å; Y15-I18 VanDerWaalsContact CE1-CG1 3.49Å; Y15-I18 WeakPolarHBondContact OH-CD1 3.32Å; Y15-I18 WeakPolarHBondContact OH-CG1 3.07Å
16C23.9Very low26.7Very low130 Ų130135.9 Ų135.988%0.87865%0.645SS**  trans-91.590.7153.4-73.30000107.5
17K29.1Very low26.9Very low187 Ų187141.4 Ų141.481%0.81368%0.677SS**  trans-17110.8157.1-111.2168.7-173.7-177.10119.1
18I28.6Very low26.6Very low124 Ų124147.4 Ų147.464%0.63671%0.71SS**  trans-119.966.4170.6-58-176.1000111.1Y15Y15-I18 HydrophobicContact CE1-CB 3.96Å; Y15-I18 HydrophobicContact CE1-CD1 3.59Å; Y15-I18 HydrophobicContact CE1-CG1 3.49Å; Y15-I18 VanDerWaalsContact CE1-CG1 3.49Å; Y15-I18 WeakPolarHBondContact OH-CD1 3.32Å; Y15-I18 WeakPolarHBondContact OH-CG1 3.07Å
19I25.2Very low26.7Very low160 Ų160148.6 Ų148.682%0.82173%0.731SS**  trans-137.268.2141.2-54-179000105.9
20M23.8Very low26.6Very low138 Ų138149.1 Ų149.168%0.6874%0.742SS**  trans-129.688.1158.7-79.8-70.8158.100105.1T22M20-T22 HydrophobicContact CB-CG2 4.32Å; M20-T22 PolarHBondContact O-N 3.06Å; M20-T22 HydrophobicContact SD-CG2 4.3Å
21Q26Very low26.9Very low201 Ų201148.3 Ų148.394%0.93974%0.742SS**  trans-68.672.4157.5-76.6-179.6-20.400107
22T27.6Very low27Very low110 Ų110151.3 Ų151.368%0.67576%0.755SS**  trans-91.9102.3168.241.30000108.1M20M20-T22 HydrophobicContact CB-CG2 4.32Å; M20-T22 PolarHBondContact O-N 3.06Å; M20-T22 HydrophobicContact SD-CG2 4.3Å
23D25.8Very low27.3Very low131 Ų131150.1 Ų150.170%0.70175%0.748SS**  trans44.3100.5143.8-149.3-18.2000117.9S25D23-S25 PolarHBondContact O-N 3.02Å; D23-S25 WeakPolarHBondContact OD1-CB 3.37Å; D23-S25 PolarHBondContact OD1-N 3.09Å; D23-S25 PolarHBondContact OD1-OG 3.4Å
24R28.5Very low27.5Very low260 Ų260145.4 Ų145.498%0.98174%0.741SS**SBendtrans-79.323177.7-82.4-171.7173.3-174.1-2.2114.3
25S31Very low27.6Very low83 Ų83146.2 Ų146.258%0.5874%0.742SS**SBendtrans-98.1-0.5-168.460.10000117.5D23D23-S25 PolarHBondContact O-N 3.02Å; D23-S25 WeakPolarHBondContact OD1-CB 3.37Å; D23-S25 PolarHBondContact OD1-N 3.09Å; D23-S25 PolarHBondContact OD1-OG 3.4Å
26R27.6Very low27.7Very low211 Ų211148 Ų14880%0.79675%0.754SS**  trans-146.646.8-176.4-73.4-167.4173.8-179.6-1.2117.5
27V29.9Very low28.2Very low122 Ų122147.9 Ų147.974%0.73975%0.751SS**  trans-107.199.9165.8-172.10000108.3S29V27-S29 PolarHBondContact O-N 3.19Å
28D27.3Very low27.9Very low141 Ų141146.9 Ų146.975%0.75475%0.747SS**  trans-49.9132.6171.8-81.2-45.9000110.2D30D28-D30 PolarHBondContact O-N 2.98Å
29S32.1Very low27.7Very low104 Ų104148.4 Ų148.473%0.72775%0.749SS**THydrogen-bonded Turntrans-67.74.3-170.447.40000115.5V27V27-S29 PolarHBondContact O-N 3.19Å
30D27.3Very low27.6Very low130 Ų130149 Ų14970%0.69575%0.752SS**THydrogen-bonded Turntrans-105.6-2.1-167.2-69.8-10.9000115D28D28-D30 PolarHBondContact O-N 2.98Å
31V28.7Very low27.5Very low115 Ų115151.4 Ų151.470%0.69775%0.754SS**SBendtrans-92.8-12.2177.9-175.60000113.2
32F27.4Very low27.5Very low161 Ų161145.6 Ų145.671%0.70674%0.735SS**SBendtrans-1054.6-175.9-79.5-77.2000115.9N34F32-N34 PolarHBondContact O-N 3.48Å
33S29.8Very low27.5Very low90 Ų90146.9 Ų146.963%0.62974%0.743SS**THydrogen-bonded Turntrans-80.4-7.4-179.554.60000115.2
34N26.8Very low27.8Very low142 Ų142143.6 Ų143.676%0.75973%0.734SS**THydrogen-bonded Turntrans-116.911.7-174.7-79.4-28.7000116.4F32F32-N34 PolarHBondContact O-N 3.48Å
35F27.5Very low28Very low185 Ų185137.7 Ų137.781%0.81172%0.722SS**SBendtrans-108.3107.7169.7-87.2-88.5000110.7
36F27.7Very low28.7Very low184 Ų184138.2 Ų138.281%0.80772%0.715SS**  trans-40.2142.5167.7-90.3-99.3000111.8F38F36-F38 PolarHBondContact O-N 3.04Å
37P33.9Very low29.9Very low126 Ų126134.6 Ų134.682%0.81871%0.707SS**SBendtrans-79.772-174.435.1-34.3000110
38F24Very low31.2Very low167 Ų167129.3 Ų129.373%0.73268%0.675SS**  trans-117.4109.1163-90.2-78.7000107.9F36F36-F38 PolarHBondContact O-N 3.04Å
39F23.6Very low33.5Very low156 Ų156129 Ų12968%0.68467%0.667SS**  trans76.563.5165.4-55.6-81.3000118.6R41F39-R41 VanDerWaalsContact C-N 3.26Å; F39-R41 HydrophobicContact CD1-CG 4.38Å
40I24Very low35.7Very low171 Ų171128.5 Ų128.588%0.87765%0.652SS**  trans-94.969.7133.5-53176.3000106.5S42I40-S42 PolarHBondContact O-N 3.17Å
41R21.5Very low38.1Very low190 Ų190122.6 Ų122.672%0.71762%0.62SS**  trans-69122.9156.5-90-171.7180-166.60.1105.3F39 V43F39-R41 VanDerWaalsContact C-N 3.26Å; F39-R41 HydrophobicContact CD1-CG 4.38Å; R41-V43 PolarHBondContact O-N 2.95Å
42S24.9Very low40.6Very low79 Ų79117.7 Ų117.755%0.55259%0.59SS**  trans-32.3124.3164.5173.30000109.7I40 A44I40-S42 PolarHBondContact O-N 3.17Å; S42-A44 PolarHBondContact O-N 3.34Å; S42-A44 WeakPolarHBondContact OG-CB 3.15Å; S42-A44 PolarHBondContact OG-N 2.99Å
43V27.6Very low43.2Very low137 Ų137110 Ų11083%0.8356%0.557SS**THydrogen-bonded Turntrans-69.436173.6-169.60000110.1R41R41-V43 PolarHBondContact O-N 2.95Å
44A32.6Very low45.8Very low62 Ų62106.4 Ų106.451%0.51253%0.53SS..THydrogen-bonded Turntrans-88.4-12.817500000112.9S42 Q46S42-A44 PolarHBondContact O-N 3.34Å; S42-A44 WeakPolarHBondContact OG-CB 3.15Å; S42-A44 PolarHBondContact OG-N 2.99Å; A44-Q46 PolarHBondContact O-N 3.01Å
45N33.6Very low48.6Very low136 Ų13699.7 Ų99.773%0.72749%0.494SS*.  trans-97.775177.3-85.26.5000111.7
46Q44.4Very low51.4Low93 Ų9391 Ų9144%0.43546%0.455SS..SBendtrans-100.4121.8137.5-54.7179.8-6100106.7F11 A44 C48F11-Q46 HydrophobicContact CE1-CB 3.72Å; F11-Q46 HydrophobicContact CE1-CG 3.94Å; F11-Q46 HydrophobicContact CE2-CB 3.84Å; F11-Q46 HydrophobicContact CE2-CG 4.43Å; F11-Q46 HydrophobicContact CZ-CB 3.05Å; F11-Q46 HydrophobicContact CZ-CG 3.69Å; A44-Q46 PolarHBondContact O-N 3.01Å; Q46-C48 PolarHBondContact O-N 2.8Å
47E52.5Low53.9Low135 Ų13582.2 Ų82.263%0.63142%0.417SS*.  trans-58.2103.3-170.7-70.9177.6174.200111.6K49E47-K49 PolarHBondContact O-N 3.08Å; E47-K49 VanDerWaalsContact O-N 3.11Å
48C59.1Low55.9Low12 Ų1276.2 Ų76.28%0.08138%0.378CS..  trans-65.5107.9167175.70000107.7R8 Y9 Q46 K50 V84 L148R8-C48 PolarHBondContact O-SG 3.45Å; Y9-C48 HydrophobicContact CE1-CB 4.44Å; Q46-C48 PolarHBondContact O-N 2.8Å; C48-K50 PolarHBondContact SG-O 3.48Å; C48-V84 HydrophobicContact CB-CG1 4.49Å; C48-V84 WeakPolarHBondContact O-CG1 3.27Å; C48-V84 WeakPolarHBondContact O-CG2 3.46Å; C48-L148 HydrophobicContact CB-CD1 4.12Å
49K75.3Confident58Low134 Ų13472.8 Ų72.858%0.58336%0.361SS*.  trans-84.5-21.2-176.6-64.1-171.9177.6-173.80114.1E47 S83 V84E47-K49 PolarHBondContact O-N 3.08Å; E47-K49 VanDerWaalsContact O-N 3.11Å; K49-S83 WeakPolarHBondContact O-CA 3.27Å; K49-S83 PolarHBondContact O-OG 2.72Å; K49-V84 PolarHBondContact O-N 3.04Å; K49-V84 VanDerWaalsContact O-N 3.16Å
50K78.5Confident60.1Low94 Ų9468.9 Ų68.941%0.40935%0.353SS..EExtended strand (participates in β ladder)trans-143.2142.8-169.8-62.6-167.5178.1-179.80113.6R8 C48 E81 C82R8-K50 WeakPolarHBondContact CB-O 3.49Å; C48-K50 PolarHBondContact SG-O 3.48Å; K50-E81 HydrophobicContact CD-CG 4.04Å; K50-E81 WeakPolarHBondContact CD-OE1 3.14Å; K50-E81 WeakPolarHBondContact CE-OE1 3.36Å; K50-E81 IonicContact NZ-OE1 2.98Å; K50-E81 PolarHBondContact NZ-OE1 2.82Å; K50-C82 CarbonylContact C-O 3.55Å; K50-C82 VanDerWaalsContact CA-O 3.29Å; K50-C82 WeakPolarHBondContact CA-O 3.35Å
51L77.3Confident62Low5 Ų561.6 Ų61.63%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-105.5134174.5-172.974.8000109.7V5 F7 E81 C82 V84 L143V5-L51 HydrophobicContact CG1-CD1 3.7Å; V5-L51 HydrophobicContact CG1-CD2 3.78Å; V5-L51 HydrophobicContact CG1-CG 3.95Å; F7-L51 HydrophobicContact CB-CD1 4.38Å; F7-L51 HydrophobicContact CD1-CD1 3.18Å; F7-L51 HydrophobicContact CE1-CD1 3.32Å; F7-L51 HydrophobicContact CG-CD1 3.88Å; F7-L51 HydrophobicContact CZ-CD1 4.18Å; L51-E81 VanDerWaalsContact O-CA 3.3Å; L51-E81 WeakPolarHBondContact O-CA 3.17Å; L51-C82 PolarHBondContact N-O 3.2Å; L51-C82 PolarHBondContact O-N 2.8Å; L51-V84 HydrophobicContact CB-CG1 4.44Å; L51-L143 HydrophobicContact CD2-CD1 4.06Å; L51-L143 HydrophobicContact CD2-CD2 4.35Å
52I80.7Confident63.7Low13 Ų1354.3 Ų54.37%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-98.3149.1158.9-42.8156.4000107.9S6 R8 F80S6-I52 CarbonylContact C-O 3.58Å; S6-I52 WeakPolarHBondContact CA-O 3.37Å; S6-I52 PolarHBondContact N-O 3.49Å; S6-I52 CarbonylContact O-C 3.49Å; S6-I52 WeakPolarHBondContact O-CA 3.43Å; S6-I52 WeakPolarHBondContact O-CB 3.41Å; S6-I52 PolarHBondContact O-N 2.95Å; R8-I52 HydrophobicContact CB-CD1 4.15Å; R8-I52 HydrophobicContact CB-CG1 3.9Å; R8-I52 HydrophobicContact CG-CD1 3.4Å; R8-I52 VanDerWaalsContact CG-CD1 3.4Å; R8-I52 HydrophobicContact CG-CG1 3.51Å; I52-F80 CarbonylContact C-O 3.56Å; I52-F80 WeakPolarHBondContact CA-O 3.48Å; I52-F80 WeakPolarHBondContact CG2-O 3.19Å
53A81.9Confident65.1Low0 Ų054.1 Ų54.10%030%0.297CS..EExtended strand (participates in β ladder)trans-147.7154.4165.100000112.8V5 S79 F80V5-A53 HydrophobicContact CB-CB 4.01Å; V5-A53 HydrophobicContact CG1-CB 3.98Å; V5-A53 HydrophobicContact CG2-CB 3.85Å; A53-S79 WeakPolarHBondContact O-CA 3.43Å; A53-F80 HydrophobicContact CB-CD1 4.45Å; A53-F80 HydrophobicContact CB-CD2 3.82Å; A53-F80 HydrophobicContact CB-CE1 3.85Å; A53-F80 HydrophobicContact CB-CE2 3.15Å; A53-F80 HydrophobicContact CB-CG 4.44Å; A53-F80 HydrophobicContact CB-CZ 3.16Å; A53-F80 PolarHBondContact N-O 2.81Å; A53-F80 PolarHBondContact O-N 2.86Å
54E85Confident66.2Low13 Ų1352.9 Ų52.96%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-124.3126.9175-65.2-164.8-171.600110.1R4 F56 R77 F78 V269R4-E54 CarbonylContact C-O 3.48Å; R4-E54 PolarHBondContact N-O 2.78Å; R4-E54 PolarHBondContact O-N 2.85Å; E54-F56 HydrophobicContact CB-CE2 4.32Å; E54-R77 IonicContact OE1-NH2 2.7Å; E54-R77 IonicContact OE2-CZ 2.8Å; E54-R77 VanDerWaalsContact OE2-CZ 3.3Å; E54-R77 IonicContact OE2-NE 2.69Å; E54-R77 PolarHBondContact OE2-NE 2.82Å; E54-R77 IonicContact OE2-NH2 2.99Å; E54-R77 PolarHBondContact OE2-NH2 3.47Å; E54-F78 CarbonylContact C-O 3.37Å; E54-F78 WeakPolarHBondContact CA-O 3.48Å; E54-V269 VanDerWaalsContact CD-CG1 3.41Å; E54-V269 HydrophobicContact CG-CG1 4.43Å; E54-V269 WeakPolarHBondContact OE2-CG1 3.18Å
55L85.7Confident66.7Low1 Ų154.5 Ų54.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-119.8135.9175.8160.863.5000109.1I3 V57 R77 F78 F80 L95 I99 I166 Y182I3-L55 HydrophobicContact CD1-CD1 3.42Å; I3-L55 VanDerWaalsContact CD1-CD1 3.42Å; I3-L55 HydrophobicContact CD1-CG 4.34Å; I3-L55 HydrophobicContact CG1-CB 4.13Å; I3-L55 HydrophobicContact CG1-CD1 3.16Å; I3-L55 HydrophobicContact CG1-CG 4.15Å; L55-V57 HydrophobicContact CD1-CG2 3.86Å; L55-V57 HydrophobicContact CD2-CG2 3.63Å; L55-V57 HydrophobicContact CG-CG2 3.56Å; L55-R77 CarbonylContact O-C 3.41Å; L55-F78 HydrophobicContact CB-CB 4.33Å; L55-F78 PolarHBondContact N-O 2.8Å; L55-F78 PolarHBondContact O-N 3.05Å; L55-F80 HydrophobicContact CB-CE1 4.23Å; L55-L95 HydrophobicContact CD2-CD1 3.72Å; L55-I99 HydrophobicContact CD2-CD1 3.83Å; L55-I99 HydrophobicContact CD2-CG1 4.43Å; L55-I166 HydrophobicContact CD2-CD1 3.88Å; L55-Y182 HydrophobicContact CD1-CD1 3.94Å; L55-Y182 HydrophobicContact CD1-CD2 4.44Å; L55-Y182 HydrophobicContact CD1-CE1 3.54Å; L55-Y182 HydrophobicContact CD1-CE2 4.09Å; L55-Y182 HydrophobicContact CD1-CG 4.35Å
56F85.3Confident67.2Low2 Ų255.9 Ų55.91%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-112.1110.9175-62.5-83.3000109.9M1 E54 Q75 R76 R77 Y182 P270 F277M1-F56 WeakPolarHBondContact CE-O 3Å; E54-F56 HydrophobicContact CB-CE2 4.32Å; F56-Q75 HydrophobicContact CB-CB 4.27Å; F56-R76 WeakPolarHBondContact CA-O 3.43Å; F56-R77 HydrophobicContact CD1-CB 3.95Å; F56-R77 HydrophobicContact CD1-CG 4.47Å; F56-R77 HydrophobicContact CE1-CB 3.66Å; F56-R77 HydrophobicContact CE1-CG 3.87Å; F56-R77 HydrophobicContact CZ-CG 4.33Å; F56-Y182 VanDerWaalsContact O-CE1 3.3Å; F56-Y182 WeakPolarHBondContact O-CE1 3.37Å; F56-P270 HydrophobicContact CZ-CG 4.17Å; F56-F277 HydrophobicContact CB-CD2 4.3Å; F56-F277 HydrophobicContact CD1-CB 3.72Å; F56-F277 AromaticContact CD1-CD2 3.49Å; F56-F277 HydrophobicContact CD1-CD2 3.49Å; F56-F277 VanDerWaalsContact CD1-CD2 3.49Å; F56-F277 HydrophobicContact CD1-CG 4.03Å; F56-F277 AromaticContact CD2-CD2 3.96Å; F56-F277 HydrophobicContact CD2-CD2 3.96Å; F56-F277 HydrophobicContact CD2-CE2 4.28Å; F56-F277 HydrophobicContact CE1-CB 4.26Å; F56-F277 AromaticContact CE1-CD2 3.65Å; F56-F277 HydrophobicContact CE1-CD2 3.65Å; F56-F277 HydrophobicContact CE1-CG 4.44Å; F56-F277 HydrophobicContact CE2-CD2 4.12Å; F56-F277 HydrophobicContact CE2-CE2 4.35Å; F56-F277 HydrophobicContact CG-CB 4.34Å; F56-F277 AromaticContact CG-CD2 3.64Å; F56-F277 HydrophobicContact CG-CD2 3.64Å; F56-F277 HydrophobicContact CG-CE2 4.37Å; F56-F277 HydrophobicContact CG-CG 4.3Å; F56-F277 AromaticContact CZ-CD2 3.97Å; F56-F277 HydrophobicContact CZ-CD2 3.97Å; F56-F277 HydrophobicContact CZ-CE2 4.49Å
57V81.4Confident67Low0 Ų057.3 Ų57.30%030%0.301CS..EExtended strand (participates in β ladder)trans-107.9134.1-176.3-1660000110.1L55 Q75 R76 F78 I99 Y103 F168 L180L55-V57 HydrophobicContact CD1-CG2 3.86Å; L55-V57 HydrophobicContact CD2-CG2 3.63Å; L55-V57 HydrophobicContact CG-CG2 3.56Å; V57-Q75 CarbonylContact O-C 3.54Å; V57-Q75 VanDerWaalsContact O-CA 3.25Å; V57-Q75 WeakPolarHBondContact O-CA 3.33Å; V57-R76 PolarHBondContact N-O 2.94Å; V57-R76 PolarHBondContact O-N 2.89Å; V57-F78 HydrophobicContact CB-CD2 4.29Å; V57-F78 HydrophobicContact CB-CE2 3.86Å; V57-F78 HydrophobicContact CG2-CD2 3.67Å; V57-F78 HydrophobicContact CG2-CE2 3.64Å; V57-I99 HydrophobicContact CG2-CD1 4.42Å; V57-I99 HydrophobicContact CG2-CG1 4.42Å; V57-Y103 HydrophobicContact CG1-CE2 4.25Å; V57-Y103 WeakPolarHBondContact CG1-OH 2.86Å; V57-F168 HydrophobicContact CG1-CZ 3.99Å; V57-L180 HydrophobicContact CG1-CD1 4.37Å
58P75.7Confident66.2Low1 Ų159.4 Ų59.41%0.00631%0.31CS..  trans-54.7145.9-179.4-22.833.7000112.7M1 S60 Y103 L180M1-P58 HydrophobicContact CE-CG 3.44Å; M1-P58 VanDerWaalsContact CE-CG 3.44Å; M1-P58 HydrophobicContact SD-CG 3.7Å; P58-S60 VanDerWaalsContact C-N 3.27Å; P58-S60 WeakPolarHBondContact CB-O 3.47Å; P58-S60 PolarHBondContact O-N 3.43Å; P58-Y103 PolarHBondContact O-OH 3.24Å; P58-L180 HydrophobicContact CG-CD1 4.16Å
59Y67.7Low65.5Low94 Ų9460.5 Ų60.537%0.36932%0.317SS..SBendtrans-64.4-36.3-179.6-178.7-100.2000112.6D72 R74 Y103Y59-D72 PolarHBondContact N-OD2 2.87Å; Y59-R74 VanDerWaalsContact CB-O 3.32Å; Y59-R74 WeakPolarHBondContact CB-O 3.42Å; Y59-R74 HydrophobicContact CG-CB 4.25Å; Y59-R74 PolarHBondContact N-O 3.35Å; Y59-Y103 VanDerWaalsContact O-CE1 3.31Å; Y59-Y103 WeakPolarHBondContact O-CE1 3.41Å
60S66.6Low63.7Low75 Ų7562.7 Ų62.752%0.52433%0.329SS..SBendtrans-123.4134.4173.554.70000109.1P58 P62P58-S60 VanDerWaalsContact C-N 3.27Å; P58-S60 WeakPolarHBondContact CB-O 3.47Å; P58-S60 PolarHBondContact O-N 3.43Å; S60-P62 WeakPolarHBondContact O-CD 3.41Å
61I64.1Low62.1Low17 Ų1764.6 Ų64.69%0.08734%0.339CS..  trans-88.3116177.2-49-168.7000107.6Y103 Y116 F168 T178I61-Y103 HydrophobicContact CG1-CE1 4.44Å; I61-Y116 HydrophobicContact CB-CD2 4.4Å; I61-Y116 HydrophobicContact CB-CG 4.21Å; I61-Y116 HydrophobicContact CG2-CG 4.4Å; I61-F168 HydrophobicContact CD1-CB 3.85Å; I61-F168 HydrophobicContact CD1-CD1 2.97Å; I61-F168 HydrophobicContact CD1-CD2 3.93Å; I61-F168 HydrophobicContact CD1-CE1 3.3Å; I61-F168 HydrophobicContact CD1-CE2 4.2Å; I61-F168 HydrophobicContact CD1-CG 3.32Å; I61-F168 HydrophobicContact CD1-CZ 3.91Å; I61-F168 HydrophobicContact CG1-CD1 4.49Å; I61-T178 HydrophobicContact CG2-CG2 3.25Å
62P57.4Low60.9Low38 Ų3865.9 Ų65.925%0.24735%0.346CS..  trans-63.7143.7-179.523.8-30.1000110.4S60 L64 F67S60-P62 WeakPolarHBondContact O-CD 3.41Å; P62-L64 PolarHBondContact O-N 2.94Å; P62-F67 HydrophobicContact CG-CB 4.25Å
63A55.7Low59.7Low75 Ų7574.3 Ų74.362%0.6238%0.377SS*.SBendtrans-73.8-2-179.300000114Y116A63-Y116 HydrophobicContact CB-CE2 4.43Å
64L49.9Very low59Low111 Ų11182 Ų8258%0.58141%0.407SS*.SBendtrans-99.7130.1179.8-84.6100.9000112P62 F67P62-L64 PolarHBondContact O-N 2.94Å; L64-F67 HydrophobicContact CB-CD2 4.44Å
65T43.8Very low58.7Low96 Ų9682.1 Ų82.159%0.58941%0.407SS*.THydrogen-bonded Turntrans-64.1128.8160.546.30000109
66N43.1Very low58.6Low165 Ų16583.7 Ų83.788%0.88241%0.413SS*.THydrogen-bonded Turntrans82.721.9177.6-51.3-17000117.7E68N66-E68 PolarHBondContact O-N 3.29Å
67F39.4Very low58.5Low122 Ų12284.7 Ų84.754%0.53542%0.417SS..  trans-74.1110.5168.5-141-93.8000109.9P62 L64 V69P62-F67 HydrophobicContact CG-CB 4.25Å; L64-F67 HydrophobicContact CB-CD2 4.44Å; F67-V69 PolarHBondContact O-N 3.41Å
68E37.3Very low58.6Low179 Ų17985 Ų8584%0.83642%0.418SS*.  trans-60.6106.1154.7-79.2-169.4158.700106.2N66 Q70N66-E68 PolarHBondContact O-N 3.29Å; E68-Q70 PolarHBondContact O-N 3.41Å
69V43.3Very low58.9Low36 Ų3688.4 Ų88.422%0.21844%0.442CS..  trans-62.591.8175.9-179.80000107.4M1 F67 E71 D72M1-V69 HydrophobicContact SD-CB 4.1Å; M1-V69 HydrophobicContact SD-CG1 4.46Å; M1-V69 HydrophobicContact SD-CG2 3.96Å; F67-V69 PolarHBondContact O-N 3.41Å; V69-E71 PolarHBondContact O-N 2.95Å; V69-D72 HydrophobicContact CG1-CB 3.69Å
70Q38.6Very low59.6Low179 Ų17985.9 Ų85.984%0.83643%0.433SS*.  trans-53.9109.7161.6-82-172.4-10.400106.3E68 D72E68-Q70 PolarHBondContact O-N 3.41Å; Q70-D72 PolarHBondContact O-N 3.18Å
71E43.7Very low60.3Low134 Ų13486.9 Ų86.963%0.62643%0.429SS*.  trans10.772.5176.7-64.6-171.1166.400115.5V69 R73V69-E71 PolarHBondContact O-N 2.95Å; E71-R73 PolarHBondContact O-N 3.31Å; E71-R73 IonicContact OE2-NE 3.8Å; E71-R73 IonicContact OE2-NH2 3.62Å
72D52.7Low61.3Low33 Ų3386.6 Ų86.618%0.17643%0.428CS..  trans-66.793.7159.3-178.211.3000106.3Y59 V69 Q70 R74 Q75Y59-D72 PolarHBondContact N-OD2 2.87Å; V69-D72 HydrophobicContact CG1-CB 3.69Å; Q70-D72 PolarHBondContact O-N 3.18Å; D72-R74 PolarHBondContact O-N 3.45Å; D72-R74 WeakPolarHBondContact OD1-CA 3.2Å; D72-R74 WeakPolarHBondContact OD1-CB 3.34Å; D72-R74 PolarHBondContact OD1-N 3.5Å; D72-Q75 WeakPolarHBondContact O-CG 3.2Å; D72-Q75 PolarHBondContact O-N 2.86Å; D72-Q75 PolarHBondContact O-NE2 2.85Å
73R55.5Low62.6Low189 Ų18987.1 Ų87.171%0.71343%0.433SS*.THydrogen-bonded Turntrans-61.2-7.2174.7-67.3-172.5179-175.6-0.3112.1E71 Q75E71-R73 PolarHBondContact O-N 3.31Å; E71-R73 IonicContact OE2-NE 3.8Å; E71-R73 IonicContact OE2-NH2 3.62Å; R73-Q75 VanDerWaalsContact C-N 3.33Å
74R68.1Low63.9Low163 Ų16383.8 Ų83.862%0.61541%0.405SS*.THydrogen-bonded Turntrans-92.413.1174.2-50.9-179.3175.5-179.9-0.3112.9Y59 D72 R76 Y276Y59-R74 VanDerWaalsContact CB-O 3.32Å; Y59-R74 WeakPolarHBondContact CB-O 3.42Å; Y59-R74 HydrophobicContact CG-CB 4.25Å; Y59-R74 PolarHBondContact N-O 3.35Å; D72-R74 PolarHBondContact O-N 3.45Å; D72-R74 WeakPolarHBondContact OD1-CA 3.2Å; D72-R74 WeakPolarHBondContact OD1-CB 3.34Å; D72-R74 PolarHBondContact OD1-N 3.5Å; R74-R76 PolarHBondContact O-N 2.86Å; R74-Y276 HydrophobicContact CB-CD1 4.5Å
75Q78Confident65.7Low15 Ų1582.7 Ų82.77%0.0740%0.397CS..PPolyproline II helixtrans-51.4129.1168-83.4169.172.700110.9M1 F56 V57 D72 R73 Y276 F277M1-Q75 HydrophobicContact CE-CG 3.87Å; F56-Q75 HydrophobicContact CB-CB 4.27Å; V57-Q75 CarbonylContact O-C 3.54Å; V57-Q75 VanDerWaalsContact O-CA 3.25Å; V57-Q75 WeakPolarHBondContact O-CA 3.33Å; D72-Q75 WeakPolarHBondContact O-CG 3.2Å; D72-Q75 PolarHBondContact O-N 2.86Å; D72-Q75 PolarHBondContact O-NE2 2.85Å; R73-Q75 VanDerWaalsContact C-N 3.33Å; Q75-Y276 CarbonylContact O-C 3.4Å; Q75-Y276 VanDerWaalsContact O-CA 3.23Å; Q75-Y276 WeakPolarHBondContact O-CA 3.28Å; Q75-F277 HydrophobicContact CB-CB 3.59Å; Q75-F277 HydrophobicContact CB-CG 4.37Å; Q75-F277 PolarHBondContact O-N 3.42Å
76R82.7Confident67.7Low33 Ų3379.8 Ų79.813%0.12538%0.377CS..EExtended strand (participates in β ladder)trans-97.1133.1-176.7-170.9168.4-179.1179.1-5.5110.1F56 V57 R74 F78 Q102 K275F56-R76 WeakPolarHBondContact CA-O 3.43Å; V57-R76 PolarHBondContact N-O 2.94Å; V57-R76 PolarHBondContact O-N 2.89Å; R74-R76 PolarHBondContact O-N 2.86Å; R76-F78 HydrophobicContact CB-CE2 3.97Å; R76-F78 HydrophobicContact CG-CE2 4.06Å; R76-F78 HydrophobicContact CG-CZ 4.4Å; R76-F78 VanDerWaalsContact O-CD2 3.29Å; R76-F78 WeakPolarHBondContact O-CD2 3.12Å; R76-Q102 PolarHBondContact NH1-O 3.29Å; R76-K275 CarbonylContact C-O 3.59Å; R76-K275 WeakPolarHBondContact CA-O 3.33Å; R76-K275 HydrophobicContact CG-CG 4.23Å; R76-K275 VanDerWaalsContact NH2-CE 3.34Å
77R84.4Confident70.1Confident24 Ų2474.2 Ų74.29%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-76.3130.7176.2178178.7-99.7161.1-17.7111.1E54 L55 F56 P270 G272 S274 K275E54-R77 IonicContact OE1-NH2 2.7Å; E54-R77 IonicContact OE2-CZ 2.8Å; E54-R77 VanDerWaalsContact OE2-CZ 3.3Å; E54-R77 IonicContact OE2-NE 2.69Å; E54-R77 PolarHBondContact OE2-NE 2.82Å; E54-R77 IonicContact OE2-NH2 2.99Å; E54-R77 PolarHBondContact OE2-NH2 3.47Å; L55-R77 CarbonylContact O-C 3.41Å; F56-R77 HydrophobicContact CD1-CB 3.95Å; F56-R77 HydrophobicContact CD1-CG 4.47Å; F56-R77 HydrophobicContact CE1-CB 3.66Å; F56-R77 HydrophobicContact CE1-CG 3.87Å; F56-R77 HydrophobicContact CZ-CG 4.33Å; R77-P270 PolarHBondContact NH2-O 3.31Å; R77-G272 PolarHBondContact NH1-O 3.15Å; R77-S274 PolarHBondContact NH1-O 3.12Å; R77-K275 PolarHBondContact N-O 3.07Å
78F82.5Confident72.5Confident5 Ų568.4 Ų68.42%0.02232%0.324CS..EExtended strand (participates in β ladder)trans-121.7114.1169.9-67.3-96.7000108.3E54 L55 V57 R76 I99 Q102E54-F78 CarbonylContact C-O 3.37Å; E54-F78 WeakPolarHBondContact CA-O 3.48Å; L55-F78 HydrophobicContact CB-CB 4.33Å; L55-F78 PolarHBondContact N-O 2.8Å; L55-F78 PolarHBondContact O-N 3.05Å; V57-F78 HydrophobicContact CB-CD2 4.29Å; V57-F78 HydrophobicContact CB-CE2 3.86Å; V57-F78 HydrophobicContact CG2-CD2 3.67Å; V57-F78 HydrophobicContact CG2-CE2 3.64Å; R76-F78 HydrophobicContact CB-CE2 3.97Å; R76-F78 HydrophobicContact CG-CE2 4.06Å; R76-F78 HydrophobicContact CG-CZ 4.4Å; R76-F78 VanDerWaalsContact O-CD2 3.29Å; R76-F78 WeakPolarHBondContact O-CD2 3.12Å; F78-I99 HydrophobicContact CD1-CG1 4.38Å; F78-I99 HydrophobicContact CE1-CG1 4.25Å; F78-I99 HydrophobicContact CZ-CG1 4.44Å; F78-Q102 HydrophobicContact CE1-CB 3.76Å; F78-Q102 VanDerWaalsContact CE1-CD 3.45Å; F78-Q102 HydrophobicContact CE1-CG 3.8Å; F78-Q102 HydrophobicContact CZ-CB 4Å; F78-Q102 HydrophobicContact CZ-CG 4.47Å
79S83.3Confident75.1Confident74 Ų7462.2 Ų62.252%0.51730%0.3SS..EExtended strand (participates in β ladder)trans-106.8135176.1-57.80000109A53A53-S79 WeakPolarHBondContact O-CA 3.43Å
80F81.1Confident77.4Confident41 Ų4163 Ų6318%0.1831%0.305CS..EExtended strand (participates in β ladder)trans-141.1151178.449.5-86.5000111.1I52 A53 L55 F91 L95I52-F80 CarbonylContact C-O 3.56Å; I52-F80 WeakPolarHBondContact CA-O 3.48Å; I52-F80 WeakPolarHBondContact CG2-O 3.19Å; A53-F80 HydrophobicContact CB-CD1 4.45Å; A53-F80 HydrophobicContact CB-CD2 3.82Å; A53-F80 HydrophobicContact CB-CE1 3.85Å; A53-F80 HydrophobicContact CB-CE2 3.15Å; A53-F80 HydrophobicContact CB-CG 4.44Å; A53-F80 HydrophobicContact CB-CZ 3.16Å; A53-F80 PolarHBondContact N-O 2.81Å; A53-F80 PolarHBondContact O-N 2.86Å; L55-F80 HydrophobicContact CB-CE1 4.23Å; F80-F91 HydrophobicContact CD2-CD2 4.46Å; F80-F91 AromaticContact CD2-CE2 3.55Å; F80-F91 HydrophobicContact CD2-CE2 3.55Å; F80-F91 HydrophobicContact CD2-CZ 4.28Å; F80-F91 HydrophobicContact CE2-CD2 4.2Å; F80-F91 AromaticContact CE2-CE2 3.05Å; F80-F91 HydrophobicContact CE2-CE2 3.05Å; F80-F91 AromaticContact CE2-CZ 3.35Å; F80-F91 HydrophobicContact CE2-CZ 3.35Å; F80-F91 HydrophobicContact CG-CE2 4.49Å; F80-F91 AromaticContact CZ-CE2 3.71Å; F80-F91 HydrophobicContact CZ-CE2 3.71Å; F80-F91 AromaticContact CZ-CZ 3.58Å; F80-F91 HydrophobicContact CZ-CZ 3.58Å; F80-L95 HydrophobicContact CD1-CD1 4.4Å; F80-L95 HydrophobicContact CE1-CD1 3.93Å; F80-L95 HydrophobicContact CZ-CD1 4.32Å
81E82.2Confident79.8Confident96 Ų9655.1 Ų55.145%0.44927%0.268SS..EExtended strand (participates in β ladder)trans-121.7120.1173.6178.7177.9155.700107.2R8 K50 L51R8-E81 IonicContact CZ-OE2 2.82Å; R8-E81 IonicContact NH1-OE1 3.51Å; R8-E81 IonicContact NH1-OE2 3.69Å; R8-E81 PolarHBondContact NH1-OE2 3.25Å; K50-E81 HydrophobicContact CD-CG 4.04Å; K50-E81 WeakPolarHBondContact CD-OE1 3.14Å; K50-E81 WeakPolarHBondContact CE-OE1 3.36Å; K50-E81 IonicContact NZ-OE1 2.98Å; K50-E81 PolarHBondContact NZ-OE1 2.82Å; L51-E81 VanDerWaalsContact O-CA 3.3Å; L51-E81 WeakPolarHBondContact O-CA 3.17Å
82C83.9Confident82.2Confident10 Ų1049.2 Ų49.27%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-128155.8179.945.80000110.5K50 L51 E86 L143K50-C82 CarbonylContact C-O 3.55Å; K50-C82 VanDerWaalsContact CA-O 3.29Å; K50-C82 WeakPolarHBondContact CA-O 3.35Å; L51-C82 PolarHBondContact N-O 3.2Å; L51-C82 PolarHBondContact O-N 2.8Å; C82-E86 WeakPolarHBondContact CB-OE1 3.47Å; C82-L143 HydrophobicContact CB-CD1 4.1Å; C82-L143 WeakPolarHBondContact SG-CD1 3.3Å
83S84.4Confident84Confident50 Ų5052 Ų5235%0.3526%0.259SS..EExtended strand (participates in β ladder)trans-70.9142.7171.4-179.40000109.5K49 H85 E86 L143K49-S83 WeakPolarHBondContact O-CA 3.27Å; K49-S83 PolarHBondContact O-OG 2.72Å; S83-H85 PolarHBondContact O-N 3.32Å; S83-H85 PolarHBondContact OG-N 3.14Å; S83-E86 WeakPolarHBondContact O-CB 3.46Å; S83-E86 PolarHBondContact O-N 3.41Å; S83-E86 VanDerWaalsContact O-N 3.12Å; S83-L143 WeakPolarHBondContact O-CD1 3.34Å
84V83.7Confident85.6Confident4 Ų448 Ų482%0.02425%0.248CC..THydrogen-bonded Turntrans-67-24.2175.3-56.60000112.5C48 K49 L51 E86 L143 E144C48-V84 HydrophobicContact CB-CG1 4.49Å; C48-V84 WeakPolarHBondContact O-CG1 3.27Å; C48-V84 WeakPolarHBondContact O-CG2 3.46Å; K49-V84 PolarHBondContact O-N 3.04Å; K49-V84 VanDerWaalsContact O-N 3.16Å; L51-V84 HydrophobicContact CB-CG1 4.44Å; V84-E86 PolarHBondContact O-N 2.96Å; V84-L143 WeakPolarHBondContact O-CB 3.29Å; V84-L143 PolarHBondContact O-N 3.14Å; V84-E144 HydrophobicContact CB-CB 4.04Å; V84-E144 HydrophobicContact CG2-CB 4.06Å; V84-E144 PolarHBondContact O-N 2.86Å
85H87.5Confident86.7Confident89 Ų8940.5 Ų40.541%0.41222%0.22SC..THydrogen-bonded Turntrans-84.4-0.2177.4-48.1-58.6000112S83 P87 E144S83-H85 PolarHBondContact O-N 3.32Å; S83-H85 PolarHBondContact OG-N 3.14Å; H85-P87 WeakPolarHBondContact O-CD 3.21Å; H85-E144 IonicContact CE1-OE2 2.73Å; H85-E144 PolarHBondContact CE1-OE2 2.88Å; H85-E144 IonicContact ND1-OE2 3.41Å; H85-E144 PolarHBondContact ND1-OE2 3.14Å
86E87.4Confident87.3Confident35 Ų3541.1 Ų41.116%0.16422%0.224CC..SBendtrans-66.2128.8173.8-172.7172.27100109.4C82 S83 V84 V90 F91 H94 L143C82-E86 WeakPolarHBondContact CB-OE1 3.47Å; S83-E86 WeakPolarHBondContact O-CB 3.46Å; S83-E86 PolarHBondContact O-N 3.41Å; S83-E86 VanDerWaalsContact O-N 3.12Å; V84-E86 PolarHBondContact O-N 2.96Å; E86-V90 HydrophobicContact CG-CB 3.72Å; E86-V90 HydrophobicContact CG-CG1 3.72Å; E86-V90 WeakPolarHBondContact OE2-CG1 3.45Å; E86-F91 WeakPolarHBondContact OE1-CA 3.5Å; E86-H94 IonicContact OE2-CE1 2.69Å; E86-H94 PolarHBondContact OE2-CE1 3.15Å; E86-H94 IonicContact OE2-ND1 3.79Å; E86-H94 PolarHBondContact OE2-ND1 2.81Å; E86-L143 HydrophobicContact CB-CD1 4.33Å; E86-L143 PolarHBondContact O-N 2.83Å; E86-L143 VanDerWaalsContact O-N 3.15Å
87P91.9Very high87.7Confident47 Ų4743.4 Ų43.431%0.30524%0.244SC..BIsolated β-bridgetrans-61.3145.8172.7-23.233.8000111.7H85 S89 V90 F91H85-P87 WeakPolarHBondContact O-CD 3.21Å; P87-S89 PolarHBondContact O-N 2.94Å; P87-V90 HydrophobicContact CB-CG2 4.3Å; P87-V90 HydrophobicContact CG-CG2 4.28Å; P87-V90 PolarHBondContact O-N 3.14Å; P87-F91 PolarHBondContact O-N 3.06Å
88L90Very high87.8Confident0 Ų044.8 Ų44.80%026%0.258CS..Hα-helixtrans-53.3-39.1176.6-79.7-177.5000112.6V90 F91 F92 L123 F137 K141 L143 C146L88-V90 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 3.15Å; L88-F91 HydrophobicContact CD2-CD1 4.4Å; L88-F91 PolarHBondContact O-N 3.31Å; L88-F92 HydrophobicContact CB-CD2 4.29Å; L88-F92 HydrophobicContact CB-CE2 3.8Å; L88-F92 HydrophobicContact CB-CZ 4.12Å; L88-F92 HydrophobicContact CD1-CE2 4.36Å; L88-F92 HydrophobicContact CD1-CZ 4.26Å; L88-F92 HydrophobicContact CD2-CE1 4.23Å; L88-F92 HydrophobicContact CD2-CE2 4.39Å; L88-F92 HydrophobicContact CD2-CZ 3.83Å; L88-F92 HydrophobicContact CG-CE2 4.43Å; L88-F92 HydrophobicContact CG-CZ 4.31Å; L88-F92 WeakPolarHBondContact O-CB 3.37Å; L88-F92 WeakPolarHBondContact O-CD2 3.12Å; L88-F92 WeakPolarHBondContact O-CG 3.37Å; L88-F92 PolarHBondContact O-N 2.82Å; L88-L123 HydrophobicContact CD1-CB 4.4Å; L88-L123 HydrophobicContact CD1-CD2 4.49Å; L88-L123 HydrophobicContact CD2-CD2 4.2Å; L88-F137 HydrophobicContact CD1-CB 3.69Å; L88-K141 WeakPolarHBondContact CG-O 3.15Å; L88-K141 PolarHBondContact N-O 2.55Å; L88-L143 HydrophobicContact CD2-CD2 3.61Å; L88-L143 HydrophobicContact CD2-CG 4.46Å; L88-C146 VanDerWaalsContact CD1-SG 3.53Å
89S92.2Very high87.9Confident50 Ų5044.5 Ų44.535%0.3526%0.257SS..Hα-helixtrans-54.5-45.6174.845.30000113.5P87 T93 N139P87-S89 PolarHBondContact O-N 2.94Å; S89-T93 WeakPolarHBondContact O-CB 3.48Å; S89-T93 PolarHBondContact O-N 3.05Å; S89-T93 PolarHBondContact O-OG1 2.79Å; S89-N139 WeakPolarHBondContact CB-O 3.44Å; S89-N139 PolarHBondContact N-O 2.94Å; S89-N139 PolarHBondContact OG-O 2.67Å; S89-N139 VanDerWaalsContact OG-O 3.09Å
90V91.5Very high88.1Confident53 Ų5342.2 Ų42.232%0.32124%0.238SC..Hα-helixtrans-69.3-46.9179.2179.80000109.6E86 P87 L88 F92 T93 H94E86-V90 HydrophobicContact CG-CB 3.72Å; E86-V90 HydrophobicContact CG-CG1 3.72Å; E86-V90 WeakPolarHBondContact OE2-CG1 3.45Å; P87-V90 HydrophobicContact CB-CG2 4.3Å; P87-V90 HydrophobicContact CG-CG2 4.28Å; P87-V90 PolarHBondContact O-N 3.14Å; L88-V90 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 3.15Å; V90-F92 PolarHBondContact O-N 2.85Å; V90-T93 WeakPolarHBondContact O-CB 3.5Å; V90-T93 PolarHBondContact O-N 3.26Å; V90-H94 VanDerWaalsContact CG1-CE1 3.42Å; V90-H94 WeakPolarHBondContact CG1-CE1 3.26Å; V90-H94 PolarHBondContact O-N 3.16Å
91F90Very high88.2Confident13 Ų1342.2 Ų42.26%0.05725%0.25CS..Hα-helixtrans-55.4-49.5176.2169.2-114.7000112.2F80 E86 P87 L88 T93 H94 L95 L143F80-F91 HydrophobicContact CD2-CD2 4.46Å; F80-F91 AromaticContact CD2-CE2 3.55Å; F80-F91 HydrophobicContact CD2-CE2 3.55Å; F80-F91 HydrophobicContact CD2-CZ 4.28Å; F80-F91 HydrophobicContact CE2-CD2 4.2Å; F80-F91 AromaticContact CE2-CE2 3.05Å; F80-F91 HydrophobicContact CE2-CE2 3.05Å; F80-F91 AromaticContact CE2-CZ 3.35Å; F80-F91 HydrophobicContact CE2-CZ 3.35Å; F80-F91 HydrophobicContact CG-CE2 4.49Å; F80-F91 AromaticContact CZ-CE2 3.71Å; F80-F91 HydrophobicContact CZ-CE2 3.71Å; F80-F91 AromaticContact CZ-CZ 3.58Å; F80-F91 HydrophobicContact CZ-CZ 3.58Å; E86-F91 WeakPolarHBondContact OE1-CA 3.5Å; P87-F91 PolarHBondContact O-N 3.06Å; L88-F91 HydrophobicContact CD2-CD1 4.4Å; L88-F91 PolarHBondContact O-N 3.31Å; F91-T93 VanDerWaalsContact C-N 3.34Å; F91-T93 PolarHBondContact O-N 2.9Å; F91-H94 PolarHBondContact O-N 2.88Å; F91-L95 HydrophobicContact CE1-CD2 4.47Å; F91-L95 HydrophobicContact CE2-CB 4.41Å; F91-L95 HydrophobicContact CZ-CB 4.42Å; F91-L95 HydrophobicContact CZ-CD2 4.22Å; F91-L95 WeakPolarHBondContact O-CB 3.34Å; F91-L95 PolarHBondContact O-N 3.09Å; F91-L143 HydrophobicContact CB-CD1 4.28Å; F91-L143 HydrophobicContact CB-CD2 4.38Å; F91-L143 HydrophobicContact CD1-CD2 3.91Å; F91-L143 HydrophobicContact CD2-CD1 4.48Å; F91-L143 HydrophobicContact CE1-CD2 4.5Å; F91-L143 HydrophobicContact CG-CD1 4.27Å; F91-L143 HydrophobicContact CG-CD2 4.06Å
92F92.4Very high87.9Confident9 Ų940.6 Ų40.64%0.03924%0.243CC..Hα-helixtrans-64-38.2178.4-65.5-29.1000112.3L88 V90 L95 I96 A121 L123 N139 L164L88-F92 HydrophobicContact CB-CD2 4.29Å; L88-F92 HydrophobicContact CB-CE2 3.8Å; L88-F92 HydrophobicContact CB-CZ 4.12Å; L88-F92 HydrophobicContact CD1-CE2 4.36Å; L88-F92 HydrophobicContact CD1-CZ 4.26Å; L88-F92 HydrophobicContact CD2-CE1 4.23Å; L88-F92 HydrophobicContact CD2-CE2 4.39Å; L88-F92 HydrophobicContact CD2-CZ 3.83Å; L88-F92 HydrophobicContact CG-CE2 4.43Å; L88-F92 HydrophobicContact CG-CZ 4.31Å; L88-F92 WeakPolarHBondContact O-CB 3.37Å; L88-F92 WeakPolarHBondContact O-CD2 3.12Å; L88-F92 WeakPolarHBondContact O-CG 3.37Å; L88-F92 PolarHBondContact O-N 2.82Å; V90-F92 PolarHBondContact O-N 2.85Å; F92-L95 PolarHBondContact O-N 3.09Å; F92-I96 WeakPolarHBondContact O-CB 3.35Å; F92-I96 WeakPolarHBondContact O-CD1 3.25Å; F92-I96 WeakPolarHBondContact O-CG1 3.3Å; F92-I96 PolarHBondContact O-N 3.33Å; F92-A121 HydrophobicContact CB-CB 4.05Å; F92-A121 HydrophobicContact CD1-CB 3.7Å; F92-A121 VanDerWaalsContact CD2-O 3.27Å; F92-A121 WeakPolarHBondContact CD2-O 3.42Å; F92-A121 HydrophobicContact CE1-CB 4.33Å; F92-A121 WeakPolarHBondContact CE2-O 3.38Å; F92-A121 HydrophobicContact CG-CB 3.85Å; F92-L123 HydrophobicContact CE1-CB 4.48Å; F92-L123 HydrophobicContact CZ-CB 3.84Å; F92-N139 WeakPolarHBondContact CE2-OD1 3.37Å; F92-L164 HydrophobicContact CD1-CD1 4.29Å; F92-L164 HydrophobicContact CE1-CD1 3.53Å; F92-L164 HydrophobicContact CZ-CD1 4.28Å
93T92.2Very high87.4Confident91 Ų9142.5 Ų42.556%0.55825%0.249SC*.Hα-helixtrans-62.1-46.9175.5-59.90000111S89 V90 F91 I96 S97S89-T93 WeakPolarHBondContact O-CB 3.48Å; S89-T93 PolarHBondContact O-N 3.05Å; S89-T93 PolarHBondContact O-OG1 2.79Å; V90-T93 WeakPolarHBondContact O-CB 3.5Å; V90-T93 PolarHBondContact O-N 3.26Å; F91-T93 VanDerWaalsContact C-N 3.34Å; F91-T93 PolarHBondContact O-N 2.9Å; T93-I96 PolarHBondContact O-N 3.39Å; T93-S97 VanDerWaalsContact O-CB 3.27Å; T93-S97 WeakPolarHBondContact O-CB 3.34Å; T93-S97 PolarHBondContact O-N 2.83Å
94H89.3Confident86.9Confident105 Ų10542.5 Ų42.549%0.48625%0.245SC..Hα-helixtrans-62.1-43.2175.5-68.2160.7000112.1E86 V90 F91 S97 S98E86-H94 IonicContact OE2-CE1 2.69Å; E86-H94 PolarHBondContact OE2-CE1 3.15Å; E86-H94 IonicContact OE2-ND1 3.79Å; E86-H94 PolarHBondContact OE2-ND1 2.81Å; V90-H94 VanDerWaalsContact CG1-CE1 3.42Å; V90-H94 WeakPolarHBondContact CG1-CE1 3.26Å; V90-H94 PolarHBondContact O-N 3.16Å; F91-H94 PolarHBondContact O-N 2.88Å; H94-S97 PolarHBondContact O-N 3.41Å; H94-S98 VanDerWaalsContact O-CB 3.26Å; H94-S98 WeakPolarHBondContact O-CB 3.27Å; H94-S98 PolarHBondContact O-N 3.15Å
95L89.7Confident86.2Confident6 Ų648.3 Ų48.33%0.03127%0.27CS..Hα-helixtrans-61.1-51.1178.4179.970.6000111.5L55 F80 F91 F92 S97 S98 I99 A121 L164 I166L55-L95 HydrophobicContact CD2-CD1 3.72Å; F80-L95 HydrophobicContact CD1-CD1 4.4Å; F80-L95 HydrophobicContact CE1-CD1 3.93Å; F80-L95 HydrophobicContact CZ-CD1 4.32Å; F91-L95 HydrophobicContact CE1-CD2 4.47Å; F91-L95 HydrophobicContact CE2-CB 4.41Å; F91-L95 HydrophobicContact CZ-CB 4.42Å; F91-L95 HydrophobicContact CZ-CD2 4.22Å; F91-L95 WeakPolarHBondContact O-CB 3.34Å; F91-L95 PolarHBondContact O-N 3.09Å; F92-L95 PolarHBondContact O-N 3.09Å; L95-S97 PolarHBondContact O-N 2.88Å; L95-S98 PolarHBondContact O-N 3.5Å; L95-I99 HydrophobicContact CD1-CD1 4.11Å; L95-I99 HydrophobicContact CG-CD1 3.91Å; L95-I99 WeakPolarHBondContact O-CB 3.32Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.41Å; L95-I99 PolarHBondContact O-N 3.39Å; L95-A121 HydrophobicContact CD2-CB 4.43Å; L95-L164 HydrophobicContact CD2-CD2 3.76Å; L95-I166 HydrophobicContact CD2-CD1 4.02Å
96I91.1Very high85Confident29 Ų2947.9 Ų47.915%0.14929%0.29CS..Hα-helixtrans-60.4-46.1178.9-72164.4000110.6F92 T93 I99 N100 A118 A121F92-I96 WeakPolarHBondContact O-CB 3.35Å; F92-I96 WeakPolarHBondContact O-CD1 3.25Å; F92-I96 WeakPolarHBondContact O-CG1 3.3Å; F92-I96 PolarHBondContact O-N 3.33Å; T93-I96 PolarHBondContact O-N 3.39Å; I96-I99 PolarHBondContact O-N 2.92Å; I96-N100 WeakPolarHBondContact O-CB 3.49Å; I96-N100 PolarHBondContact O-N 3.16Å; I96-N100 PolarHBondContact O-ND2 3.22Å; I96-A118 HydrophobicContact CB-CB 4.41Å; I96-A118 HydrophobicContact CG1-CB 4.2Å; I96-A118 HydrophobicContact CG2-CB 4.06Å; I96-A118 VanDerWaalsContact CG2-O 3.28Å; I96-A118 WeakPolarHBondContact CG2-O 3.45Å; I96-A121 HydrophobicContact CD1-CB 4.35Å; I96-A121 HydrophobicContact CG1-CB 4.48Å
97S90Very high83.6Confident80 Ų8053.8 Ų53.856%0.55932%0.315SS*.Hα-helixtrans-60.8-46177.9-1770000111.7T93 H94 L95 I99 N100 G101T93-S97 VanDerWaalsContact O-CB 3.27Å; T93-S97 WeakPolarHBondContact O-CB 3.34Å; T93-S97 PolarHBondContact O-N 2.83Å; H94-S97 PolarHBondContact O-N 3.41Å; L95-S97 PolarHBondContact O-N 2.88Å; S97-I99 PolarHBondContact O-N 3.37Å; S97-N100 PolarHBondContact O-N 3.36Å; S97-G101 PolarHBondContact O-N 2.87Å
98S86.8Confident82Confident53 Ų5357.1 Ų57.137%0.37134%0.339SS..Hα-helixtrans-61.9-44.8177.8-176.60000112.1H94 L95 Q102H94-S98 VanDerWaalsContact O-CB 3.26Å; H94-S98 WeakPolarHBondContact O-CB 3.27Å; H94-S98 PolarHBondContact O-N 3.15Å; L95-S98 PolarHBondContact O-N 3.5Å; S98-Q102 WeakPolarHBondContact O-CG 3.48Å; S98-Q102 PolarHBondContact O-N 2.87Å
99I86.1Confident80.4Confident0 Ų058.8 Ų58.80%035%0.349CS..Hα-helixtrans-58.8-59.6174.6-70.5166.8000109.6L55 V57 F78 L95 I96 S97 G101 Q102 Y103 A118 I166 F168L55-I99 HydrophobicContact CD2-CD1 3.83Å; L55-I99 HydrophobicContact CD2-CG1 4.43Å; V57-I99 HydrophobicContact CG2-CD1 4.42Å; V57-I99 HydrophobicContact CG2-CG1 4.42Å; F78-I99 HydrophobicContact CD1-CG1 4.38Å; F78-I99 HydrophobicContact CE1-CG1 4.25Å; F78-I99 HydrophobicContact CZ-CG1 4.44Å; L95-I99 HydrophobicContact CD1-CD1 4.11Å; L95-I99 HydrophobicContact CG-CD1 3.91Å; L95-I99 WeakPolarHBondContact O-CB 3.32Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.41Å; L95-I99 PolarHBondContact O-N 3.39Å; I96-I99 PolarHBondContact O-N 2.92Å; S97-I99 PolarHBondContact O-N 3.37Å; I99-G101 PolarHBondContact O-N 3.31Å; I99-Q102 PolarHBondContact O-N 2.82Å; I99-Y103 HydrophobicContact CG2-CD2 3.82Å; I99-Y103 HydrophobicContact CG2-CE2 3.7Å; I99-Y103 VanDerWaalsContact O-CD2 3.32Å; I99-Y103 WeakPolarHBondContact O-CD2 3.42Å; I99-Y103 PolarHBondContact O-N 3.32Å; I99-Y103 VanDerWaalsContact O-N 3.15Å; I99-A118 HydrophobicContact CB-CB 4.44Å; I99-A118 HydrophobicContact CG2-CB 4.07Å; I99-I166 HydrophobicContact CD1-CD1 3.91Å; I99-F168 HydrophobicContact CG2-CE1 3.88Å; I99-F168 HydrophobicContact CG2-CZ 4.22Å
100N87.5Confident78.5Confident25 Ų2559.4 Ų59.413%0.13435%0.353CS..Hα-helixtrans-60.2-45.2-174.7-73.3-18000112.4I96 S97 Q102 Y103 L104 L117 A118I96-N100 WeakPolarHBondContact O-CB 3.49Å; I96-N100 PolarHBondContact O-N 3.16Å; I96-N100 PolarHBondContact O-ND2 3.22Å; S97-N100 PolarHBondContact O-N 3.36Å; N100-Q102 PolarHBondContact O-N 3.31Å; N100-Q102 VanDerWaalsContact O-N 3.16Å; N100-Y103 PolarHBondContact O-N 2.89Å; N100-Y103 VanDerWaalsContact O-N 3.09Å; N100-L104 WeakPolarHBondContact O-CB 3.47Å; N100-L104 VanDerWaalsContact O-CG 3.25Å; N100-L104 WeakPolarHBondContact O-CG 3.33Å; N100-L104 PolarHBondContact O-N 2.85Å; N100-L117 HydrophobicContact CB-CD2 4.41Å; N100-L117 WeakPolarHBondContact OD1-CA 3.44Å; N100-L117 WeakPolarHBondContact OD1-CB 3.38Å; N100-A118 PolarHBondContact ND2-O 2.99Å; N100-A118 PolarHBondContact OD1-N 2.85Å
101G83.1Confident76.5Confident42 Ų4262.8 Ų62.843%0.43337%0.374SS..Hα-helixtrans-54.4-36.7176.600000112.5S97 I99 K105S97-G101 PolarHBondContact O-N 2.87Å; I99-G101 PolarHBondContact O-N 3.31Å; G101-K105 PolarHBondContact O-N 2.82Å; G101-K105 VanDerWaalsContact O-N 3.09Å
102Q75.2Confident74.6Confident62 Ų6268.9 Ų68.929%0.2941%0.408SS..Hα-helixtrans-78.8-28.5178.2-71.3-155.321.500115.2R76 F78 S98 I99 N100 K105R76-Q102 PolarHBondContact NH1-O 3.29Å; F78-Q102 HydrophobicContact CE1-CB 3.76Å; F78-Q102 VanDerWaalsContact CE1-CD 3.45Å; F78-Q102 HydrophobicContact CE1-CG 3.8Å; F78-Q102 HydrophobicContact CZ-CB 4Å; F78-Q102 HydrophobicContact CZ-CG 4.47Å; S98-Q102 WeakPolarHBondContact O-CG 3.48Å; S98-Q102 PolarHBondContact O-N 2.87Å; I99-Q102 PolarHBondContact O-N 2.82Å; N100-Q102 PolarHBondContact O-N 3.31Å; N100-Q102 VanDerWaalsContact O-N 3.16Å; Q102-K105 WeakPolarHBondContact O-CG 3.36Å
103Y73.6Confident72.9Confident50 Ų5073 Ų7320%0.19643%0.43CS..Hα-helixtrans-73.7-39.7171.5-84.1-92.2000111.5V57 P58 Y59 I61 I99 N100 K105V57-Y103 HydrophobicContact CG1-CE2 4.25Å; V57-Y103 WeakPolarHBondContact CG1-OH 2.86Å; P58-Y103 PolarHBondContact O-OH 3.24Å; Y59-Y103 VanDerWaalsContact O-CE1 3.31Å; Y59-Y103 WeakPolarHBondContact O-CE1 3.41Å; I61-Y103 HydrophobicContact CG1-CE1 4.44Å; I99-Y103 HydrophobicContact CG2-CD2 3.82Å; I99-Y103 HydrophobicContact CG2-CE2 3.7Å; I99-Y103 VanDerWaalsContact O-CD2 3.32Å; I99-Y103 WeakPolarHBondContact O-CD2 3.42Å; I99-Y103 PolarHBondContact O-N 3.32Å; I99-Y103 VanDerWaalsContact O-N 3.15Å; N100-Y103 PolarHBondContact O-N 2.89Å; N100-Y103 VanDerWaalsContact O-N 3.09Å; Y103-K105 VanDerWaalsContact C-N 3.33Å
104L73.2Confident71.7Confident50 Ų5079.1 Ų79.126%0.26244%0.443SS..Hα-helixtrans-71.1-28.3179.1-64.1179.1000112.2N100 G106 K107 V109 L117N100-L104 WeakPolarHBondContact O-CB 3.47Å; N100-L104 VanDerWaalsContact O-CG 3.25Å; N100-L104 WeakPolarHBondContact O-CG 3.33Å; N100-L104 PolarHBondContact O-N 2.85Å; L104-G106 PolarHBondContact O-N 2.81Å; L104-G106 VanDerWaalsContact O-N 3.15Å; L104-K107 VanDerWaalsContact O-CB 3.3Å; L104-K107 WeakPolarHBondContact O-CB 3.26Å; L104-K107 PolarHBondContact O-N 2.87Å; L104-V109 HydrophobicContact CD2-CG2 3.21Å; L104-V109 HydrophobicContact CG-CG2 4.49Å; L104-L117 HydrophobicContact CD2-CD2 3.92Å; L104-L117 HydrophobicContact CG-CD2 4.14Å
105K70.3Confident71Confident125 Ų12576 Ų7654%0.54343%0.431SS..THydrogen-bonded Turntrans49.337.1-178-62.4-176.3-177.8173.60112.6G101 Q102 Y103 K107G101-K105 PolarHBondContact O-N 2.82Å; G101-K105 VanDerWaalsContact O-N 3.09Å; Q102-K105 WeakPolarHBondContact O-CG 3.36Å; Y103-K105 VanDerWaalsContact C-N 3.33Å; K105-K107 PolarHBondContact O-N 3.47Å
106G60.7Low70.6Confident81 Ų8176.7 Ų76.784%0.83543%0.433SS*.THydrogen-bonded Turntrans71.25.3-176.100000115.3L104L104-G106 PolarHBondContact O-N 2.81Å; L104-G106 VanDerWaalsContact O-N 3.15Å
107K59.5Low70.3Confident158 Ų15876.4 Ų76.469%0.68743%0.432SS*.  trans-84.7133.1172.3-59.3-173.6176.5-170.20110L104 K105L104-K107 VanDerWaalsContact O-CB 3.3Å; L104-K107 WeakPolarHBondContact O-CB 3.26Å; L104-K107 PolarHBondContact O-N 2.87Å; K105-K107 PolarHBondContact O-N 3.47Å
108S58.3Low70.3Confident117 Ų11772.8 Ų72.882%0.81841%0.407SS*.  trans-59.9136.7161.6-54.50000109S110S108-S110 PolarHBondContact O-N 3.47Å
109V55Low70.5Confident36 Ų3673.2 Ų73.222%0.21841%0.407CS..  trans-67.4106.6179.3-172.40000108.9L104 L117 H171L104-V109 HydrophobicContact CD2-CG2 3.21Å; L104-V109 HydrophobicContact CG-CG2 4.49Å; V109-L117 HydrophobicContact CG2-CD1 4.46Å; V109-H171 HydrophobicContact CG1-CB 3.99Å; V109-H171 VanDerWaalsContact CG1-CG 3.43Å; V109-H171 VanDerWaalsContact CG1-ND1 3.29Å; V109-H171 WeakPolarHBondContact CG1-ND1 3.36Å
110S52.2Low70.8Confident62 Ų6278.9 Ų78.943%0.43443%0.432SS..  trans-63.3135163.11700000108.7S108 N112 N113S108-S110 PolarHBondContact O-N 3.47Å; S110-N112 PolarHBondContact O-N 2.96Å; S110-N113 PolarHBondContact O-N 2.96Å; S110-N113 VanDerWaalsContact O-N 3.08Å
111T51.4Low71Confident124 Ų12478 Ų7876%0.76143%0.428SS*.THydrogen-bonded Turntrans-54.4-20.6178.446.40000113.9
112N49.9Very low71.3Confident142 Ų14278.6 Ų78.676%0.75942%0.418SS*.THydrogen-bonded Turntrans-84-11.5-179.7-73.6-9.4000114.7S110S110-N112 PolarHBondContact O-N 2.96Å
113N56.1Low72Confident94 Ų9475.8 Ų75.850%0.50340%0.404SS..  trans-87.3117.5-177.8-89.2-7.9000111.3S110 V115S110-N113 PolarHBondContact O-N 2.96Å; S110-N113 VanDerWaalsContact O-N 3.08Å; N113-V115 HydrophobicContact CB-CG2 3.9Å; N113-V115 PolarHBondContact O-N 2.79Å
114R67.7Low72.6Confident221 Ų22173.5 Ų73.583%0.83440%0.396SS*.  trans-70.263.2170.7-63.7-178-176.71781.5111.4M170R114-M170 HydrophobicContact CB-SD 4.28Å; R114-M170 HydrophobicContact CG-SD 4.36Å
115V73.5Confident73.1Confident38 Ų3871.9 Ų71.923%0.2339%0.389CS..  trans-98.7129.8-179.6175.50000109.3N113 L117 H171N113-V115 HydrophobicContact CB-CG2 3.9Å; N113-V115 PolarHBondContact O-N 2.79Å; V115-L117 HydrophobicContact CG1-CD2 3.83Å; V115-L117 HydrophobicContact CG1-CG 4.31Å; V115-H171 PolarHBondContact O-N 3.47Å
116Y80.5Confident73.4Confident21 Ų2170.7 Ų70.78%0.08238%0.383CS..EExtended strand (participates in β ladder)trans-91.7128.1171-76-97.8000109I61 A63 F168 S169 M170 T178I61-Y116 HydrophobicContact CB-CD2 4.4Å; I61-Y116 HydrophobicContact CB-CG 4.21Å; I61-Y116 HydrophobicContact CG2-CG 4.4Å; A63-Y116 HydrophobicContact CB-CE2 4.43Å; Y116-F168 HydrophobicContact CD1-CB 4.46Å; Y116-S169 WeakPolarHBondContact CA-O 3.18Å; Y116-M170 HydrophobicContact CD1-CB 4.22Å; Y116-M170 HydrophobicContact CE1-CB 3.93Å; Y116-M170 HydrophobicContact CE2-CB 4.42Å; Y116-M170 HydrophobicContact CE2-CG 4.33Å; Y116-M170 HydrophobicContact CE2-SD 4.43Å; Y116-T178 HydrophobicContact CD1-CG2 3.99Å; Y116-T178 HydrophobicContact CE1-CG2 4.2Å
117L86.2Confident74Confident24 Ų2466.9 Ų66.913%0.12634%0.344CS..EExtended strand (participates in β ladder)trans-113.6143.3178.2-63178.4000109.7N100 L104 V109 V115 T119 F168 S169N100-L117 HydrophobicContact CB-CD2 4.41Å; N100-L117 WeakPolarHBondContact OD1-CA 3.44Å; N100-L117 WeakPolarHBondContact OD1-CB 3.38Å; L104-L117 HydrophobicContact CD2-CD2 3.92Å; L104-L117 HydrophobicContact CG-CD2 4.14Å; V109-L117 HydrophobicContact CG2-CD1 4.46Å; V115-L117 HydrophobicContact CG1-CD2 3.83Å; V115-L117 HydrophobicContact CG1-CG 4.31Å; L117-T119 PolarHBondContact O-N 2.87Å; L117-F168 VanDerWaalsContact C-CD1 3.47Å; L117-F168 CarbonylContact O-C 3.51Å; L117-F168 WeakPolarHBondContact O-CA 3.25Å; L117-S169 PolarHBondContact N-O 3.19Å; L117-S169 PolarHBondContact O-N 2.54Å
118A89.7Confident74.2Confident3 Ų363.1 Ų63.13%0.02533%0.334CS..EExtended strand (participates in β ladder)trans-63.5130173.100000108.7I96 I99 N100 I166 N167 F168I96-A118 HydrophobicContact CB-CB 4.41Å; I96-A118 HydrophobicContact CG1-CB 4.2Å; I96-A118 HydrophobicContact CG2-CB 4.06Å; I96-A118 VanDerWaalsContact CG2-O 3.28Å; I96-A118 WeakPolarHBondContact CG2-O 3.45Å; I99-A118 HydrophobicContact CB-CB 4.44Å; I99-A118 HydrophobicContact CG2-CB 4.07Å; N100-A118 PolarHBondContact ND2-O 2.99Å; N100-A118 PolarHBondContact OD1-N 2.85Å; A118-I166 HydrophobicContact CB-CG2 3.98Å; A118-N167 WeakPolarHBondContact CA-O 3.35Å; A118-F168 HydrophobicContact CB-CD1 3.92Å; A118-F168 HydrophobicContact CB-CE1 3.61Å; A118-F168 HydrophobicContact CB-CZ 4.09Å
119T90.6Very high74.4Confident63 Ų6361 Ų6139%0.38731%0.314SS..EExtended strand (participates in β ladder)trans-116.4-38.6-177.853.20000112.5L117 N167 S169L117-T119 PolarHBondContact O-N 2.87Å; T119-N167 PolarHBondContact N-O 3.37Å; T119-N167 PolarHBondContact OG1-O 3.33Å; T119-S169 WeakPolarHBondContact CG2-OG 3.41Å
120K92.1Very high74.6Confident118 Ų11862.1 Ų62.151%0.51333%0.333SS..EExtended strand (participates in β ladder)trans-145.4149.5-179.8-63.9-170.8180-176.90110.4Y122 I166 N167K120-Y122 HydrophobicContact CB-CE2 3.72Å; K120-Y122 WeakPolarHBondContact CD-OH 3.32Å; K120-I166 CarbonylContact O-C 3.49Å; K120-I166 WeakPolarHBondContact O-CA 3.37Å; K120-N167 HydrophobicContact CB-CB 4.4Å; K120-N167 PolarHBondContact O-N 2.8Å
121A92Very high74.7Confident6 Ų662.8 Ų62.85%0.0534%0.338CS..EExtended strand (participates in β ladder)trans-132.2147.5172.600000109.6F92 L95 I96 Q165 I166F92-A121 HydrophobicContact CB-CB 4.05Å; F92-A121 HydrophobicContact CD1-CB 3.7Å; F92-A121 VanDerWaalsContact CD2-O 3.27Å; F92-A121 WeakPolarHBondContact CD2-O 3.42Å; F92-A121 HydrophobicContact CE1-CB 4.33Å; F92-A121 WeakPolarHBondContact CE2-O 3.38Å; F92-A121 HydrophobicContact CG-CB 3.85Å; L95-A121 HydrophobicContact CD2-CB 4.43Å; I96-A121 HydrophobicContact CD1-CB 4.35Å; I96-A121 HydrophobicContact CG1-CB 4.48Å; A121-Q165 CarbonylContact C-O 3.59Å; A121-Q165 WeakPolarHBondContact CA-O 3.45Å; A121-I166 HydrophobicContact CB-CG1 4.28Å
122Y90.2Very high74.8Confident56 Ų5658.7 Ų58.722%0.2232%0.316CS..EExtended strand (participates in β ladder)trans-141137.9-174.2-52.8-83000109.4K120 E136 L164 Q165K120-Y122 HydrophobicContact CB-CE2 3.72Å; K120-Y122 WeakPolarHBondContact CD-OH 3.32Å; Y122-E136 WeakPolarHBondContact CD1-OE1 2.96Å; Y122-L164 CarbonylContact O-C 3.59Å; Y122-L164 WeakPolarHBondContact O-CA 3.29Å; Y122-L164 WeakPolarHBondContact O-CD1 3.27Å; Y122-Q165 HydrophobicContact CD2-CB 4.48Å; Y122-Q165 PolarHBondContact N-O 3.3Å; Y122-Q165 PolarHBondContact O-N 3.5Å
123L89.8Confident75.3Confident2 Ų255.9 Ų55.91%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-103.2128169.6-173.770.1000108.5L88 F92 F137 C146 F147 L164 V184L88-L123 HydrophobicContact CD1-CB 4.4Å; L88-L123 HydrophobicContact CD1-CD2 4.49Å; L88-L123 HydrophobicContact CD2-CD2 4.2Å; F92-L123 HydrophobicContact CE1-CB 4.48Å; F92-L123 HydrophobicContact CZ-CB 3.84Å; L123-F137 HydrophobicContact CB-CD2 4.21Å; L123-F137 HydrophobicContact CD2-CD2 3.9Å; L123-F137 HydrophobicContact CD2-CE2 4.25Å; L123-F137 HydrophobicContact CG-CD2 3.83Å; L123-F137 HydrophobicContact CG-CE2 4.28Å; L123-F137 WeakPolarHBondContact O-CD2 3.3Å; L123-F137 PolarHBondContact O-N 2.91Å; L123-C146 HydrophobicContact CD2-CB 3.75Å; L123-F147 HydrophobicContact CD1-CE1 4.27Å; L123-F147 HydrophobicContact CD1-CZ 3.91Å; L123-F147 HydrophobicContact CD2-CE1 4.08Å; L123-F147 HydrophobicContact CD2-CE2 3.89Å; L123-F147 HydrophobicContact CD2-CZ 3.56Å; L123-F147 HydrophobicContact CG-CZ 4.42Å; L123-L164 HydrophobicContact CD1-CD1 4.44Å; L123-V184 HydrophobicContact CD1-CG2 4.2Å
124V86.9Confident75.7Confident3 Ų355.8 Ų55.82%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-131.3136.4-174.6-171.90000111.1L134 T135 E136 S163 Q165V124-L134 HydrophobicContact CB-CD2 4.16Å; V124-L134 HydrophobicContact CG1-CB 3.61Å; V124-L134 HydrophobicContact CG1-CD2 3.38Å; V124-L134 HydrophobicContact CG1-CG 3.45Å; V124-L134 VanDerWaalsContact CG1-CG 3.45Å; V124-L134 HydrophobicContact CG2-CD2 4.46Å; V124-T135 WeakPolarHBondContact CG1-O 3.01Å; V124-E136 HydrophobicContact CG2-CB 4.43Å; V124-E136 HydrophobicContact CG2-CG 4.46Å; V124-S163 PolarHBondContact N-O 2.7Å; V124-S163 PolarHBondContact O-N 2.94Å; V124-S163 PolarHBondContact O-OG 3.13Å; V124-Q165 HydrophobicContact CG2-CG 4.31Å
125C82.4Confident76.3Confident16 Ų1649.7 Ų49.711%0.10830%0.299CS..EExtended strand (participates in β ladder)trans-102.1135.6173.7-1690000110.7T135 F137 L162C125-T135 PolarHBondContact N-O 3.11Å; C125-T135 PolarHBondContact O-N 2.87Å; C125-F137 HydrophobicContact CB-CE2 3.71Å; C125-F137 HydrophobicContact CB-CZ 4.01Å; C125-L162 HydrophobicContact CB-CD2 4.16Å
126K77.9Confident76.8Confident99 Ų9952.9 Ų52.943%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-129134.7173.2-171.9-177.2178.6-1790110.2L134 Y160 Q161K126-L134 HydrophobicContact CD-CD1 4.03Å; K126-L134 HydrophobicContact CG-CD1 4.3Å; K126-Y160 CarbonylContact O-C 3.57Å; K126-Y160 WeakPolarHBondContact O-CA 3.12Å; K126-Q161 PolarHBondContact N-O 3.34Å; K126-Q161 PolarHBondContact O-N 2.99Å
127S71.5Confident77Confident2 Ų253.3 Ų53.31%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-70.8135.1170.6-174.90000110.6D129 G130S127-D129 VanDerWaalsContact CB-OD1 3.27Å; S127-D129 WeakPolarHBondContact CB-OD1 3.43Å; S127-D129 PolarHBondContact O-N 2.69Å; S127-D129 VanDerWaalsContact OG-CG 3.26Å; S127-D129 PolarHBondContact OG-OD1 2.92Å; S127-G130 PolarHBondContact O-N 2.97Å
128T64.6Low77Confident79 Ų7955.5 Ų55.549%0.48533%0.331SS..THydrogen-bonded Turntrans-72-15.5-179.358.10000113.4G130 P159 Q161T128-G130 PolarHBondContact O-N 2.52Å; T128-P159 WeakPolarHBondContact CB-O 3.26Å; T128-P159 HydrophobicContact CG2-CB 3.95Å; T128-P159 WeakPolarHBondContact CG2-O 3.32Å; T128-P159 PolarHBondContact N-O 2.99Å; T128-P159 VanDerWaalsContact OG1-CB 3.31Å; T128-P159 WeakPolarHBondContact OG1-CB 3.31Å; T128-P159 VanDerWaalsContact OG1-CD 3.26Å; T128-P159 WeakPolarHBondContact OG1-CD 3.31Å; T128-P159 WeakPolarHBondContact OG1-CG 3.34Å; T128-P159 PolarHBondContact OG1-O 2.9Å; T128-Q161 HydrophobicContact CG2-CB 4.37Å
129D62.5Low76.9Confident72 Ų7258.6 Ų58.639%0.38535%0.347SS..THydrogen-bonded Turntrans-81.91177.471.4-6.6000113.7S127 S131 K158S127-D129 VanDerWaalsContact CB-OD1 3.27Å; S127-D129 WeakPolarHBondContact CB-OD1 3.43Å; S127-D129 PolarHBondContact O-N 2.69Å; S127-D129 VanDerWaalsContact OG-CG 3.26Å; S127-D129 PolarHBondContact OG-OD1 2.92Å; D129-S131 PolarHBondContact O-N 3.32Å; D129-S131 VanDerWaalsContact O-N 3.13Å; D129-S131 WeakPolarHBondContact OD1-CB 3.37Å; D129-S131 PolarHBondContact OD1-N 2.96Å; D129-S131 PolarHBondContact OD1-OG 2.78Å; D129-S131 PolarHBondContact OD2-OG 3.32Å; D129-K158 WeakPolarHBondContact OD2-CD 3.42Å; D129-K158 WeakPolarHBondContact OD2-CE 3.46Å; D129-K158 IonicContact OD2-NZ 3.29Å; D129-K158 PolarHBondContact OD2-NZ 3.19Å
130G58.2Low76.8Confident60 Ų6060.7 Ų60.762%0.61936%0.356SS*.SBendtrans70.6-0.5-178.600000115S127 T128S127-G130 PolarHBondContact O-N 2.97Å; T128-G130 PolarHBondContact O-N 2.52Å
131S54.8Low76.6Confident76 Ų7659.4 Ų59.453%0.53135%0.351SS..  trans-82.6-17.5-17371.80000114.8D129 K158D129-S131 PolarHBondContact O-N 3.32Å; D129-S131 VanDerWaalsContact O-N 3.13Å; D129-S131 WeakPolarHBondContact OD1-CB 3.37Å; D129-S131 PolarHBondContact OD1-N 2.96Å; D129-S131 PolarHBondContact OD1-OG 2.78Å; D129-S131 PolarHBondContact OD2-OG 3.32Å; S131-K158 PolarHBondContact OG-NZ 3.46Å; S131-K158 VanDerWaalsContact OG-NZ 3.14Å
132A54.8Low76.4Confident37 Ų3760.5 Ų60.531%0.30636%0.356SS..SBendtrans-116.7135.5-177.800000111.9
133A59.9Low76Confident84 Ų8458 Ų5869%0.69435%0.347SS*.  trans-58.8153.8172.500000111.7T135A133-T135 PolarHBondContact O-N 2.93Å; A133-T135 PolarHBondContact O-OG1 3.12Å
134L64.9Low75.6Confident92 Ų9260.5 Ų60.548%0.48236%0.359SS..  trans-53.3115.1169.8-102.986.4000108.5V124 K126V124-L134 HydrophobicContact CB-CD2 4.16Å; V124-L134 HydrophobicContact CG1-CB 3.61Å; V124-L134 HydrophobicContact CG1-CD2 3.38Å; V124-L134 HydrophobicContact CG1-CG 3.45Å; V124-L134 VanDerWaalsContact CG1-CG 3.45Å; V124-L134 HydrophobicContact CG2-CD2 4.46Å; K126-L134 HydrophobicContact CD-CD1 4.03Å; K126-L134 HydrophobicContact CG-CD1 4.3Å
135T79.4Confident75.4Confident92 Ų9263.6 Ų63.656%0.56438%0.375SS*.EExtended strand (participates in β ladder)trans-100.5107.8175.4-51.80000108.4V124 C125 A133V124-T135 WeakPolarHBondContact CG1-O 3.01Å; C125-T135 PolarHBondContact N-O 3.11Å; C125-T135 PolarHBondContact O-N 2.87Å; A133-T135 PolarHBondContact O-N 2.93Å; A133-T135 PolarHBondContact O-OG1 3.12Å
136E83.9Confident75.3Confident106 Ų10663.1 Ų63.150%0.49537%0.372SS..EExtended strand (participates in β ladder)trans-72131.2173.5-173.7178.6144.400109.5Y122 V124Y122-E136 WeakPolarHBondContact CD1-OE1 2.96Å; V124-E136 HydrophobicContact CG2-CB 4.43Å; V124-E136 HydrophobicContact CG2-CG 4.46Å
137F85.5Confident75Confident30 Ų3058.9 Ų58.913%0.13235%0.354CS..PPolyproline II helixtrans-74.4135.6172.8-72-83.7000110L88 L123 C125 C146 L162L88-F137 HydrophobicContact CD1-CB 3.69Å; L123-F137 HydrophobicContact CB-CD2 4.21Å; L123-F137 HydrophobicContact CD2-CD2 3.9Å; L123-F137 HydrophobicContact CD2-CE2 4.25Å; L123-F137 HydrophobicContact CG-CD2 3.83Å; L123-F137 HydrophobicContact CG-CE2 4.28Å; L123-F137 WeakPolarHBondContact O-CD2 3.3Å; L123-F137 PolarHBondContact O-N 2.91Å; C125-F137 HydrophobicContact CB-CE2 3.71Å; C125-F137 HydrophobicContact CB-CZ 4.01Å; F137-C146 HydrophobicContact CD1-CB 4.17Å; F137-C146 WeakPolarHBondContact CD1-SG 3.2Å; F137-C146 HydrophobicContact CE1-CB 4.22Å; F137-C146 HydrophobicContact CG-CB 4.37Å; F137-C146 HydrophobicContact CZ-CB 4.47Å; F137-L162 HydrophobicContact CE2-CD2 3.54Å; F137-L162 HydrophobicContact CZ-CD2 4.06Å
138S86.7Confident74.7Confident70 Ų7060.9 Ų60.949%0.4936%0.364SS..PPolyproline II helixtrans-67.1141.7176.5-168.50000111.5D140 K141S138-D140 WeakPolarHBondContact CB-OD1 3.29Å; S138-D140 PolarHBondContact O-N 3.5Å; S138-D140 PolarHBondContact OG-OD1 3.47Å; S138-K141 WeakPolarHBondContact O-CB 3.46Å; S138-K141 PolarHBondContact O-N 3.24Å
139N86.7Confident74.7Confident67 Ų6758.5 Ų58.536%0.35835%0.35SS..THydrogen-bonded Turntrans-68.2-13.7-171.8-77.2-34.6000115S89 F92S89-N139 WeakPolarHBondContact CB-O 3.44Å; S89-N139 PolarHBondContact N-O 2.94Å; S89-N139 PolarHBondContact OG-O 2.67Å; S89-N139 VanDerWaalsContact OG-O 3.09Å; F92-N139 WeakPolarHBondContact CE2-OD1 3.37Å
140D87.7Confident74.1Confident108 Ų10860.2 Ų60.258%0.57836%0.36SS*.THydrogen-bonded Turntrans-81.1-18.1173.262.6-55.3000112.8S138S138-D140 WeakPolarHBondContact CB-OD1 3.29Å; S138-D140 PolarHBondContact O-N 3.5Å; S138-D140 PolarHBondContact OG-OD1 3.47Å
141K88Confident73.8Confident91 Ų9164.1 Ų64.140%0.39636%0.36SS..SBendtrans-66.8143.9176.4-67.7-69.4177.4-174.90111.1L88 S138 D145L88-K141 WeakPolarHBondContact CG-O 3.15Å; L88-K141 PolarHBondContact N-O 2.55Å; S138-K141 WeakPolarHBondContact O-CB 3.46Å; S138-K141 PolarHBondContact O-N 3.24Å; K141-D145 HydrophobicContact CB-CB 4.18Å; K141-D145 HydrophobicContact CD-CB 3.94Å
142T87.4Confident73.3Confident28 Ų2864.3 Ų64.317%0.17236%0.358CS..BIsolated β-bridgetrans-78.4159.7174.364.80000110.9E144 D145 C146T142-E144 PolarHBondContact O-N 3.35Å; T142-D145 WeakPolarHBondContact CB-OD2 3.49Å; T142-D145 PolarHBondContact N-OD2 3.01Å; T142-D145 WeakPolarHBondContact O-CB 3.41Å; T142-D145 PolarHBondContact O-N 3.48Å; T142-D145 VanDerWaalsContact O-N 3.14Å; T142-D145 PolarHBondContact OG1-N 3.43Å; T142-D145 PolarHBondContact OG1-OD2 3.2Å; T142-C146 PolarHBondContact O-N 2.9Å; T142-C146 VanDerWaalsContact O-N 3.14Å; T142-C146 PolarHBondContact O-SG 2.75Å; T142-C146 VanDerWaalsContact O-SG 3.41Å
143L81.7Confident72.7Confident3 Ų364.6 Ų64.62%0.01636%0.358CS..Hα-helixtrans-58.2-36.2171.9-67.6167.7000111.2L51 C82 S83 V84 E86 L88 F91 C146 F147L51-L143 HydrophobicContact CD2-CD1 4.06Å; L51-L143 HydrophobicContact CD2-CD2 4.35Å; C82-L143 HydrophobicContact CB-CD1 4.1Å; C82-L143 WeakPolarHBondContact SG-CD1 3.3Å; S83-L143 WeakPolarHBondContact O-CD1 3.34Å; V84-L143 WeakPolarHBondContact O-CB 3.29Å; V84-L143 PolarHBondContact O-N 3.14Å; E86-L143 HydrophobicContact CB-CD1 4.33Å; E86-L143 PolarHBondContact O-N 2.83Å; E86-L143 VanDerWaalsContact O-N 3.15Å; L88-L143 HydrophobicContact CD2-CD2 3.61Å; L88-L143 HydrophobicContact CD2-CG 4.46Å; F91-L143 HydrophobicContact CB-CD1 4.28Å; F91-L143 HydrophobicContact CB-CD2 4.38Å; F91-L143 HydrophobicContact CD1-CD2 3.91Å; F91-L143 HydrophobicContact CD2-CD1 4.48Å; F91-L143 HydrophobicContact CE1-CD2 4.5Å; F91-L143 HydrophobicContact CG-CD1 4.27Å; F91-L143 HydrophobicContact CG-CD2 4.06Å; L143-C146 PolarHBondContact O-N 2.52Å; L143-F147 HydrophobicContact CB-CD2 4.12Å; L143-F147 HydrophobicContact CD2-CD2 3.98Å; L143-F147 HydrophobicContact CD2-CE2 3.52Å; L143-F147 VanDerWaalsContact O-CB 3.26Å; L143-F147 WeakPolarHBondContact O-CB 3.46Å; L143-F147 WeakPolarHBondContact O-CD2 3.41Å; L143-F147 PolarHBondContact O-N 3.37Å
144E81.7Confident71.7Confident55 Ų5567.3 Ų67.326%0.25736%0.361SS..Hα-helixtrans-58.2-50.9171.3172.6161.1-134.500112.1V84 H85 T142 C146 F147 L148 S149V84-E144 HydrophobicContact CB-CB 4.04Å; V84-E144 HydrophobicContact CG2-CB 4.06Å; V84-E144 PolarHBondContact O-N 2.86Å; H85-E144 IonicContact CE1-OE2 2.73Å; H85-E144 PolarHBondContact CE1-OE2 2.88Å; H85-E144 IonicContact ND1-OE2 3.41Å; H85-E144 PolarHBondContact ND1-OE2 3.14Å; T142-E144 PolarHBondContact O-N 3.35Å; E144-C146 PolarHBondContact O-N 2.66Å; E144-C146 VanDerWaalsContact O-N 3.15Å; E144-F147 PolarHBondContact O-N 2.87Å; E144-L148 HydrophobicContact CB-CD1 4.14Å; E144-L148 HydrophobicContact CG-CB 4.13Å; E144-L148 HydrophobicContact CG-CD1 3.85Å; E144-L148 HydrophobicContact CG-CG 4.41Å; E144-L148 WeakPolarHBondContact O-CA 3.45Å; E144-L148 WeakPolarHBondContact O-CB 3.17Å; E144-L148 PolarHBondContact O-N 3.23Å; E144-S149 PolarHBondContact O-N 3.44Å
145D83.3Confident70.3Confident68 Ų6869.9 Ų69.936%0.36438%0.375SS..Hα-helixtrans-58.3-30.2177.8-65.5-48.3000113K141 T142 S149K141-D145 HydrophobicContact CB-CB 4.18Å; K141-D145 HydrophobicContact CD-CB 3.94Å; T142-D145 WeakPolarHBondContact CB-OD2 3.49Å; T142-D145 PolarHBondContact N-OD2 3.01Å; T142-D145 WeakPolarHBondContact O-CB 3.41Å; T142-D145 PolarHBondContact O-N 3.48Å; T142-D145 VanDerWaalsContact O-N 3.14Å; T142-D145 PolarHBondContact OG1-N 3.43Å; T142-D145 PolarHBondContact OG1-OD2 3.2Å; D145-S149 WeakPolarHBondContact O-CB 3.25Å; D145-S149 PolarHBondContact O-OG 3.46Å
146C80Confident68.7Low6 Ų670.9 Ų70.94%0.04139%0.393CS..Hα-helixtrans-90.4-32.8-177.8-64.70000113.4L88 L123 F137 T142 L143 E144L88-C146 VanDerWaalsContact CD1-SG 3.53Å; L123-C146 HydrophobicContact CD2-CB 3.75Å; F137-C146 HydrophobicContact CD1-CB 4.17Å; F137-C146 WeakPolarHBondContact CD1-SG 3.2Å; F137-C146 HydrophobicContact CE1-CB 4.22Å; F137-C146 HydrophobicContact CG-CB 4.37Å; F137-C146 HydrophobicContact CZ-CB 4.47Å; T142-C146 PolarHBondContact O-N 2.9Å; T142-C146 VanDerWaalsContact O-N 3.14Å; T142-C146 PolarHBondContact O-SG 2.75Å; T142-C146 VanDerWaalsContact O-SG 3.41Å; L143-C146 PolarHBondContact O-N 2.52Å; E144-C146 PolarHBondContact O-N 2.66Å; E144-C146 VanDerWaalsContact O-N 3.15Å
147F72.6Confident66.9Low11 Ų1170.6 Ų70.65%0.04840%0.402CS..Hα-helixtrans-113.6-24.5-169.7-67.9-67.5000115.3F7 L123 L143 E144 L162 V184 R186F7-F147 HydrophobicContact CD1-CB 4.43Å; F7-F147 HydrophobicContact CE1-CB 3.38Å; F7-F147 AromaticContact CE1-CD1 3.8Å; F7-F147 HydrophobicContact CE1-CD1 3.8Å; F7-F147 HydrophobicContact CE1-CD2 4.25Å; F7-F147 AromaticContact CE1-CG 3.57Å; F7-F147 HydrophobicContact CE1-CG 3.57Å; F7-F147 HydrophobicContact CZ-CB 3.88Å; F7-F147 AromaticContact CZ-CD1 3.4Å; F7-F147 HydrophobicContact CZ-CD1 3.4Å; F7-F147 VanDerWaalsContact CZ-CD1 3.4Å; F7-F147 AromaticContact CZ-CE1 3.99Å; F7-F147 HydrophobicContact CZ-CE1 3.99Å; F7-F147 AromaticContact CZ-CG 3.7Å; F7-F147 HydrophobicContact CZ-CG 3.7Å; L123-F147 HydrophobicContact CD1-CE1 4.27Å; L123-F147 HydrophobicContact CD1-CZ 3.91Å; L123-F147 HydrophobicContact CD2-CE1 4.08Å; L123-F147 HydrophobicContact CD2-CE2 3.89Å; L123-F147 HydrophobicContact CD2-CZ 3.56Å; L123-F147 HydrophobicContact CG-CZ 4.42Å; L143-F147 HydrophobicContact CB-CD2 4.12Å; L143-F147 HydrophobicContact CD2-CD2 3.98Å; L143-F147 HydrophobicContact CD2-CE2 3.52Å; L143-F147 VanDerWaalsContact O-CB 3.26Å; L143-F147 WeakPolarHBondContact O-CB 3.46Å; L143-F147 WeakPolarHBondContact O-CD2 3.41Å; L143-F147 PolarHBondContact O-N 3.37Å; E144-F147 PolarHBondContact O-N 2.87Å; F147-L162 HydrophobicContact CD1-CD1 3.67Å; F147-L162 HydrophobicContact CE1-CD1 3.78Å; F147-V184 HydrophobicContact CE1-CG1 3.84Å; F147-V184 HydrophobicContact CZ-CG1 4.47Å; F147-R186 PolarHBondContact O-NH1 2.76Å
148L65.1Low65.2Low44 Ų4473.2 Ų73.223%0.2341%0.413CS..THydrogen-bonded Turntrans-104.3-17.1-179.9-60.7-179000112.7C48 E144C48-L148 HydrophobicContact CB-CD1 4.12Å; E144-L148 HydrophobicContact CB-CD1 4.14Å; E144-L148 HydrophobicContact CG-CB 4.13Å; E144-L148 HydrophobicContact CG-CD1 3.85Å; E144-L148 HydrophobicContact CG-CG 4.41Å; E144-L148 WeakPolarHBondContact O-CA 3.45Å; E144-L148 WeakPolarHBondContact O-CB 3.17Å; E144-L148 PolarHBondContact O-N 3.23Å
149S63.5Low64Low29 Ų2974 Ų7420%0.20342%0.417CS..SBendtrans-58.8146.8175.152.90000113.2E144 D145 F151 T152E144-S149 PolarHBondContact O-N 3.44Å; D145-S149 WeakPolarHBondContact O-CB 3.25Å; D145-S149 PolarHBondContact O-OG 3.46Å; S149-F151 PolarHBondContact O-N 3.47Å; S149-F151 WeakPolarHBondContact OG-CD2 3.21Å; S149-T152 PolarHBondContact O-N 2.74Å; S149-T152 PolarHBondContact O-OG1 2.75Å
150D50.6Low63.2Low108 Ų10875.8 Ų75.858%0.57842%0.419SS*.THydrogen-bonded Turntrans-6510.2-177.8-82.3-25000114.7T152 S153D150-T152 PolarHBondContact O-N 3.05Å; D150-S153 WeakPolarHBondContact CB-O 3.21Å; D150-S153 PolarHBondContact O-N 3.06Å; D150-S153 VanDerWaalsContact O-O 3.1Å; D150-S153 VanDerWaalsContact OD1-CB 3.32Å; D150-S153 WeakPolarHBondContact OD1-CB 3.47Å; D150-S153 PolarHBondContact OD1-OG 2.9Å
151F50.8Low62.8Low141 Ų14175.6 Ų75.662%0.61842%0.415SS*.THydrogen-bonded Turntrans-54.6-17.7162.6-71.6-82.7000112.1S149S149-F151 PolarHBondContact O-N 3.47Å; S149-F151 WeakPolarHBondContact OG-CD2 3.21Å
152T45.6Very low62.6Low81 Ų8172.5 Ų72.550%0.49740%0.403SS..SBendtrans-113-12.2179.160.10000115S149 D150 R186S149-T152 PolarHBondContact O-N 2.74Å; S149-T152 PolarHBondContact O-OG1 2.75Å; D150-T152 PolarHBondContact O-N 3.05Å; T152-R186 PolarHBondContact OG1-NH1 3.47Å; T152-R186 VanDerWaalsContact OG1-NH1 3.14Å
153S41.7Very low62.5Low43 Ų4372 Ų7230%0.30140%0.4SS..SBendtrans-124.4118.3-178.9210000111.2D150D150-S153 WeakPolarHBondContact CB-O 3.21Å; D150-S153 PolarHBondContact O-N 3.06Å; D150-S153 VanDerWaalsContact O-O 3.1Å; D150-S153 VanDerWaalsContact OD1-CB 3.32Å; D150-S153 WeakPolarHBondContact OD1-CB 3.47Å; D150-S153 PolarHBondContact OD1-OG 2.9Å
154N38.8Very low62.9Low141 Ų14172.2 Ų72.275%0.75440%0.401SS*.SBendtrans96.7-5.8167.1-60.2-21.6000120.8A156N154-A156 PolarHBondContact O-N 2.94Å
155N35.6Very low63.3Low145 Ų14571.1 Ų71.178%0.77540%0.396SS*.  trans-97.886158.6-84.3-20.7000110S157N155-S157 PolarHBondContact O-N 2.87Å
156A45.3Very low63.6Low114 Ų11467.9 Ų67.994%0.94238%0.379SS*.THydrogen-bonded Turntrans-63.910.3-174.300000116.2N154N154-A156 PolarHBondContact O-N 2.94Å
157S46.3Very low64.2Low100 Ų10069.3 Ų69.370%0.69939%0.386SS*.THydrogen-bonded Turntrans-103.1-19.8-174.553.40000115.7N155N155-S157 PolarHBondContact O-N 2.87Å
158K50.5Low64.9Low84 Ų8468.8 Ų68.837%0.36538%0.384SS..  trans-143.5111.6-174.8-63-175.6178-152.10113.1D129 S131 Y160D129-K158 WeakPolarHBondContact OD2-CD 3.42Å; D129-K158 WeakPolarHBondContact OD2-CE 3.46Å; D129-K158 IonicContact OD2-NZ 3.29Å; D129-K158 PolarHBondContact OD2-NZ 3.19Å; S131-K158 PolarHBondContact OG-NZ 3.46Å; S131-K158 VanDerWaalsContact OG-NZ 3.14Å; K158-Y160 HydrophobicContact CB-CE2 4.26Å; K158-Y160 VanDerWaalsContact O-CD2 3.29Å; K158-Y160 WeakPolarHBondContact O-CD2 3.33Å; K158-Y160 WeakPolarHBondContact O-CE2 3.33Å
159P61.8Low66Low87 Ų8767.5 Ų67.557%0.56538%0.378SS*.  trans-65.8140.8170.6-4.115.6000110.3T128T128-P159 WeakPolarHBondContact CB-O 3.26Å; T128-P159 HydrophobicContact CG2-CB 3.95Å; T128-P159 WeakPolarHBondContact CG2-O 3.32Å; T128-P159 PolarHBondContact N-O 2.99Å; T128-P159 VanDerWaalsContact OG1-CB 3.31Å; T128-P159 WeakPolarHBondContact OG1-CB 3.31Å; T128-P159 VanDerWaalsContact OG1-CD 3.26Å; T128-P159 WeakPolarHBondContact OG1-CD 3.31Å; T128-P159 WeakPolarHBondContact OG1-CG 3.34Å; T128-P159 PolarHBondContact OG1-O 2.9Å
160Y68.8Low66.9Low104 Ų10466.9 Ų66.941%0.40837%0.373SS..EExtended strand (participates in β ladder)trans-113.5147.4170.7-67.3-92.2000110K126 K158K126-Y160 CarbonylContact O-C 3.57Å; K126-Y160 WeakPolarHBondContact O-CA 3.12Å; K158-Y160 HydrophobicContact CB-CE2 4.26Å; K158-Y160 VanDerWaalsContact O-CD2 3.29Å; K158-Y160 WeakPolarHBondContact O-CD2 3.33Å; K158-Y160 WeakPolarHBondContact O-CE2 3.33Å
161Q79Confident68Low104 Ų10465.2 Ų65.249%0.48636%0.361SS..EExtended strand (participates in β ladder)trans-112.7122.2175.4-173.4175.45.900109.8K126 T128K126-Q161 PolarHBondContact N-O 3.34Å; K126-Q161 PolarHBondContact O-N 2.99Å; T128-Q161 HydrophobicContact CG2-CB 4.37Å
162L84Confident69.3Low27 Ų2761.6 Ų61.614%0.14136%0.363CS..EExtended strand (participates in β ladder)trans-83.8138.7171.7-70.3169.1000110C125 F137 F147 V184C125-L162 HydrophobicContact CB-CD2 4.16Å; F137-L162 HydrophobicContact CE2-CD2 3.54Å; F137-L162 HydrophobicContact CZ-CD2 4.06Å; F147-L162 HydrophobicContact CD1-CD1 3.67Å; F147-L162 HydrophobicContact CE1-CD1 3.78Å; L162-V184 HydrophobicContact CB-CB 3.83Å; L162-V184 HydrophobicContact CB-CG1 4.39Å; L162-V184 HydrophobicContact CB-CG2 4.43Å; L162-V184 PolarHBondContact O-N 3.36Å
163S85.7Confident70.9Confident16 Ų1662.9 Ų62.911%0.11236%0.363CS..EExtended strand (participates in β ladder)trans-135.7135.7175.860.40000110.6V124 Y182V124-S163 PolarHBondContact N-O 2.7Å; V124-S163 PolarHBondContact O-N 2.94Å; V124-S163 PolarHBondContact O-OG 3.13Å; S163-Y182 CarbonylContact C-O 3.09Å; S163-Y182 WeakPolarHBondContact CA-O 3.4Å
164L89.9Confident72.5Confident8 Ų865.5 Ų65.54%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-98.9130.7168.7-173.677.2000108I3 F92 L95 Y122 L123 I166 Y182 V184I3-L164 HydrophobicContact CD1-CB 3.63Å; I3-L164 HydrophobicContact CD1-CD2 3.18Å; I3-L164 HydrophobicContact CD1-CG 3.95Å; F92-L164 HydrophobicContact CD1-CD1 4.29Å; F92-L164 HydrophobicContact CE1-CD1 3.53Å; F92-L164 HydrophobicContact CZ-CD1 4.28Å; L95-L164 HydrophobicContact CD2-CD2 3.76Å; Y122-L164 CarbonylContact O-C 3.59Å; Y122-L164 WeakPolarHBondContact O-CA 3.29Å; Y122-L164 WeakPolarHBondContact O-CD1 3.27Å; L123-L164 HydrophobicContact CD1-CD1 4.44Å; L164-I166 HydrophobicContact CD2-CD1 3.94Å; L164-I166 HydrophobicContact CD2-CG1 3.98Å; L164-I166 HydrophobicContact CG-CG1 4.21Å; L164-Y182 PolarHBondContact N-O 3.29Å; L164-Y182 PolarHBondContact O-N 3.48Å; L164-V184 HydrophobicContact CB-CG2 4.09Å
165Q90.2Very high74.5Confident32 Ų3268.8 Ų68.815%0.1539%0.387CS..EExtended strand (participates in β ladder)trans-112.2129.1175.3-51.2-171.40.700108.7A121 Y122 V124 L179 L180 V181A121-Q165 CarbonylContact C-O 3.59Å; A121-Q165 WeakPolarHBondContact CA-O 3.45Å; Y122-Q165 HydrophobicContact CD2-CB 4.48Å; Y122-Q165 PolarHBondContact N-O 3.3Å; Y122-Q165 PolarHBondContact O-N 3.5Å; V124-Q165 HydrophobicContact CG2-CG 4.31Å; Q165-L179 HydrophobicContact CB-CD1 3.89Å; Q165-L179 HydrophobicContact CB-CG 4.47Å; Q165-L180 CarbonylContact C-O 3.42Å; Q165-L180 WeakPolarHBondContact CA-O 3.23Å; Q165-V181 HydrophobicContact CG-CG1 4.28Å; Q165-V181 HydrophobicContact CG-CG2 4.1Å
166I90.7Very high76.7Confident0 Ų067.5 Ų67.50%038%0.375CS..EExtended strand (participates in β ladder)trans-121.8117.5177.2-51.2178.3000107.9L55 L95 I99 A118 K120 A121 L164 F168 L180 Y182L55-I166 HydrophobicContact CD2-CD1 3.88Å; L95-I166 HydrophobicContact CD2-CD1 4.02Å; I99-I166 HydrophobicContact CD1-CD1 3.91Å; A118-I166 HydrophobicContact CB-CG2 3.98Å; K120-I166 CarbonylContact O-C 3.49Å; K120-I166 WeakPolarHBondContact O-CA 3.37Å; A121-I166 HydrophobicContact CB-CG1 4.28Å; L164-I166 HydrophobicContact CD2-CD1 3.94Å; L164-I166 HydrophobicContact CD2-CG1 3.98Å; L164-I166 HydrophobicContact CG-CG1 4.21Å; I166-F168 HydrophobicContact CB-CD2 4.39Å; I166-F168 HydrophobicContact CB-CE2 3.73Å; I166-F168 HydrophobicContact CB-CZ 4.41Å; I166-F168 HydrophobicContact CG2-CD2 3.98Å; I166-F168 HydrophobicContact CG2-CE2 3.38Å; I166-F168 HydrophobicContact CG2-CZ 3.73Å; I166-F168 WeakPolarHBondContact O-CD2 3.33Å; I166-L180 PolarHBondContact N-O 3.29Å; I166-L180 PolarHBondContact O-N 2.78Å; I166-Y182 HydrophobicContact CD1-CD2 4.44Å; I166-Y182 HydrophobicContact CD1-CE2 3.94Å; I166-Y182 HydrophobicContact CG1-CD2 4.48Å; I166-Y182 HydrophobicContact CG1-CE2 4.21Å
167N91.3Very high78.6Confident36 Ų3664.6 Ų64.619%0.19335%0.348CS..EExtended strand (participates in β ladder)trans-84.1134174.4-168.819.9000109.7A118 T119 K120 T178 L179A118-N167 WeakPolarHBondContact CA-O 3.35Å; T119-N167 PolarHBondContact N-O 3.37Å; T119-N167 PolarHBondContact OG1-O 3.33Å; K120-N167 HydrophobicContact CB-CB 4.4Å; K120-N167 PolarHBondContact O-N 2.8Å; N167-T178 PolarHBondContact OD1-O 3.02Å; N167-L179 HydrophobicContact CB-CD1 4.25Å
168F88.4Confident80.4Confident0 Ų060.3 Ų60.30%032%0.317CS..EExtended strand (participates in β ladder)trans-120.7131.9175.7-70.3-96.2000109.9V57 I61 I99 Y116 L117 A118 I166 S177 T178 L180V57-F168 HydrophobicContact CG1-CZ 3.99Å; I61-F168 HydrophobicContact CD1-CB 3.85Å; I61-F168 HydrophobicContact CD1-CD1 2.97Å; I61-F168 HydrophobicContact CD1-CD2 3.93Å; I61-F168 HydrophobicContact CD1-CE1 3.3Å; I61-F168 HydrophobicContact CD1-CE2 4.2Å; I61-F168 HydrophobicContact CD1-CG 3.32Å; I61-F168 HydrophobicContact CD1-CZ 3.91Å; I61-F168 HydrophobicContact CG1-CD1 4.49Å; I99-F168 HydrophobicContact CG2-CE1 3.88Å; I99-F168 HydrophobicContact CG2-CZ 4.22Å; Y116-F168 HydrophobicContact CD1-CB 4.46Å; L117-F168 VanDerWaalsContact C-CD1 3.47Å; L117-F168 CarbonylContact O-C 3.51Å; L117-F168 WeakPolarHBondContact O-CA 3.25Å; A118-F168 HydrophobicContact CB-CD1 3.92Å; A118-F168 HydrophobicContact CB-CE1 3.61Å; A118-F168 HydrophobicContact CB-CZ 4.09Å; I166-F168 HydrophobicContact CB-CD2 4.39Å; I166-F168 HydrophobicContact CB-CE2 3.73Å; I166-F168 HydrophobicContact CB-CZ 4.41Å; I166-F168 HydrophobicContact CG2-CD2 3.98Å; I166-F168 HydrophobicContact CG2-CE2 3.38Å; I166-F168 HydrophobicContact CG2-CZ 3.73Å; I166-F168 WeakPolarHBondContact O-CD2 3.33Å; F168-S177 CarbonylContact O-C 3.44Å; F168-S177 WeakPolarHBondContact O-CA 3.18Å; F168-S177 WeakPolarHBondContact O-CB 3.43Å; F168-T178 HydrophobicContact CB-CG2 3.98Å; F168-T178 PolarHBondContact N-O 2.74Å; F168-T178 PolarHBondContact O-N 2.98Å; F168-L180 HydrophobicContact CD2-CB 4.5Å; F168-L180 HydrophobicContact CD2-CD1 4.07Å; F168-L180 HydrophobicContact CD2-CG 4.01Å; F168-L180 HydrophobicContact CE2-CB 4.18Å; F168-L180 HydrophobicContact CE2-CD1 3.59Å; F168-L180 HydrophobicContact CE2-CG 3.91Å; F168-L180 HydrophobicContact CZ-CD1 4.26Å
169S87Confident82.1Confident17 Ų1760.1 Ų60.112%0.11932%0.32CS..EExtended strand (participates in β ladder)trans-119.1142.6178.5-57.20000110.7Y116 L117 T119 H171 K176Y116-S169 WeakPolarHBondContact CA-O 3.18Å; L117-S169 PolarHBondContact N-O 3.19Å; L117-S169 PolarHBondContact O-N 2.54Å; T119-S169 WeakPolarHBondContact CG2-OG 3.41Å; S169-H171 PolarHBondContact O-N 2.87Å; S169-K176 WeakPolarHBondContact CA-O 3.5Å
170M82.3Confident83.3Confident16 Ų1656.8 Ų56.88%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-68.5128.9175.7-162.8173.376.900109.9R114 Y116 G172 H173 K176R114-M170 HydrophobicContact CB-SD 4.28Å; R114-M170 HydrophobicContact CG-SD 4.36Å; Y116-M170 HydrophobicContact CD1-CB 4.22Å; Y116-M170 HydrophobicContact CE1-CB 3.93Å; Y116-M170 HydrophobicContact CE2-CB 4.42Å; Y116-M170 HydrophobicContact CE2-CG 4.33Å; Y116-M170 HydrophobicContact CE2-SD 4.43Å; M170-G172 PolarHBondContact O-N 2.71Å; M170-H173 HydrophobicContact CB-CB 4.44Å; M170-H173 HydrophobicContact CE-CB 3.42Å; M170-H173 VanDerWaalsContact CE-CB 3.42Å; M170-H173 WeakPolarHBondContact CE-CD2 3.34Å; M170-H173 CarbonylContact O-C 3.29Å; M170-H173 VanDerWaalsContact O-C 3.29Å; M170-H173 PolarHBondContact O-N 3.3Å; M170-K176 HydrophobicContact CB-CB 3.94Å; M170-K176 HydrophobicContact CE-CD 3.7Å; M170-K176 HydrophobicContact CE-CG 4.45Å; M170-K176 PolarHBondContact N-O 2.97Å; M170-K176 HydrophobicContact SD-CD 4.14Å
171H75.3Confident84.1Confident74 Ų7455.3 Ų55.334%0.34330%0.299SS..THydrogen-bonded Turntrans-57.4133.1177.9-173.6-87.6000111V109 V115 S169 H173V109-H171 HydrophobicContact CG1-CB 3.99Å; V109-H171 VanDerWaalsContact CG1-CG 3.43Å; V109-H171 VanDerWaalsContact CG1-ND1 3.29Å; V109-H171 WeakPolarHBondContact CG1-ND1 3.36Å; V115-H171 PolarHBondContact O-N 3.47Å; S169-H171 PolarHBondContact O-N 2.87Å; H171-H173 PolarHBondContact O-N 2.85Å
172G76.6Confident84.4Confident64 Ų6450.3 Ų50.366%0.6628%0.275SS*.THydrogen-bonded Turntrans76.2-8.9-17600000115.6M170M170-G172 PolarHBondContact O-N 2.71Å
173H80.7Confident84.4Confident108 Ų10850.7 Ų50.750%0.528%0.282SS..EExtended strand (participates in β ladder)trans-141.272.3-177.4-66.4-79.6000111M170 H171 K175 K176M170-H173 HydrophobicContact CB-CB 4.44Å; M170-H173 HydrophobicContact CE-CB 3.42Å; M170-H173 VanDerWaalsContact CE-CB 3.42Å; M170-H173 WeakPolarHBondContact CE-CD2 3.34Å; M170-H173 CarbonylContact O-C 3.29Å; M170-H173 VanDerWaalsContact O-C 3.29Å; M170-H173 PolarHBondContact O-N 3.3Å; H171-H173 PolarHBondContact O-N 2.85Å; H173-K175 PolarHBondContact O-N 3.33Å; H173-K176 PolarHBondContact O-N 3.36Å
174P75.2Confident84.3Confident99 Ų9950.8 Ų50.864%0.64328%0.282SS*.EExtended strand (participates in β ladder)trans-61.2-22.7-172.322.5-33.2000114.4K176P174-K176 PolarHBondContact O-N 2.76Å
175K79.9Confident83.9Confident210 Ų21051.2 Ų51.291%0.91328%0.284SS*.EExtended strand (participates in β ladder)trans-65.2-20.9173.8-66.1-173178.5-177.10113.5H173 S177H173-K175 PolarHBondContact O-N 3.33Å; K175-S177 PolarHBondContact O-N 2.89Å
176K82.2Confident83.3Confident118 Ų11854 Ų5451%0.51329%0.293SS..EExtended strand (participates in β ladder)trans-92.296.9172.9-64-162.7-170.7175.80108.6S169 M170 H173 P174S169-K176 WeakPolarHBondContact CA-O 3.5Å; M170-K176 HydrophobicContact CB-CB 3.94Å; M170-K176 HydrophobicContact CE-CD 3.7Å; M170-K176 HydrophobicContact CE-CG 4.45Å; M170-K176 PolarHBondContact N-O 2.97Å; M170-K176 HydrophobicContact SD-CD 4.14Å; H173-K176 PolarHBondContact O-N 3.36Å; P174-K176 PolarHBondContact O-N 2.76Å
177S83.8Confident82.9Confident53 Ų5356.4 Ų56.437%0.37131%0.306SS..EExtended strand (participates in β ladder)trans-125.4158.2178.660.30000112.3F168 K175F168-S177 CarbonylContact O-C 3.44Å; F168-S177 WeakPolarHBondContact O-CA 3.18Å; F168-S177 WeakPolarHBondContact O-CB 3.43Å; K175-S177 PolarHBondContact O-N 2.89Å
178T84.7Confident82.8Confident10 Ų1054.8 Ų54.86%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-144.1142.1175.1-175.60000109.5I61 Y116 N167 F168I61-T178 HydrophobicContact CG2-CG2 3.25Å; Y116-T178 HydrophobicContact CD1-CG2 3.99Å; Y116-T178 HydrophobicContact CE1-CG2 4.2Å; N167-T178 PolarHBondContact OD1-O 3.02Å; F168-T178 HydrophobicContact CB-CG2 3.98Å; F168-T178 PolarHBondContact N-O 2.74Å; F168-T178 PolarHBondContact O-N 2.98Å
179L86.9Confident83Confident80 Ų8054.8 Ų54.842%0.41930%0.297SS..EExtended strand (participates in β ladder)trans-108120.8-175.3-175.865.8000109.1Q165 N167 V181Q165-L179 HydrophobicContact CB-CD1 3.89Å; Q165-L179 HydrophobicContact CB-CG 4.47Å; N167-L179 HydrophobicContact CB-CD1 4.25Å; L179-V181 HydrophobicContact CD2-CG2 4.1Å; L179-V181 HydrophobicContact CG-CG2 4.1Å
180L87Confident83.1Confident16 Ų1656.8 Ų56.88%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-97.4119.7170.6-62.1-172.5000109.3V57 P58 Q165 I166 F168 Y182V57-L180 HydrophobicContact CG1-CD1 4.37Å; P58-L180 HydrophobicContact CG-CD1 4.16Å; Q165-L180 CarbonylContact C-O 3.42Å; Q165-L180 WeakPolarHBondContact CA-O 3.23Å; I166-L180 PolarHBondContact N-O 3.29Å; I166-L180 PolarHBondContact O-N 2.78Å; F168-L180 HydrophobicContact CD2-CB 4.5Å; F168-L180 HydrophobicContact CD2-CD1 4.07Å; F168-L180 HydrophobicContact CD2-CG 4.01Å; F168-L180 HydrophobicContact CE2-CB 4.18Å; F168-L180 HydrophobicContact CE2-CD1 3.59Å; F168-L180 HydrophobicContact CE2-CG 3.91Å; F168-L180 HydrophobicContact CZ-CD1 4.26Å; L180-Y182 HydrophobicContact CB-CD2 4.26Å; L180-Y182 HydrophobicContact CB-CE2 3.46Å; L180-Y182 VanDerWaalsContact CB-CE2 3.46Å; L180-Y182 HydrophobicContact CD1-CE2 4.44Å; L180-Y182 WeakPolarHBondContact CD1-OH 3.26Å
181V85.8Confident83.7Confident73 Ų7356.3 Ų56.344%0.44230%0.3SS..EExtended strand (participates in β ladder)trans-104.8130.8177.1-176.20000109.4Q165 L179Q165-V181 HydrophobicContact CG-CG1 4.28Å; Q165-V181 HydrophobicContact CG-CG2 4.1Å; L179-V181 HydrophobicContact CD2-CG2 4.1Å; L179-V181 HydrophobicContact CG-CG2 4.1Å
182Y85.1Confident84.6Confident0 Ų057 Ų570%031%0.305CS..EExtended strand (participates in β ladder)trans-126.6128.6-176.2-62-92.5000111M1 I3 L55 F56 S163 L164 I166 L180 V184M1-Y182 HydrophobicContact CB-CD1 3.9Å; M1-Y182 HydrophobicContact CB-CE1 3.96Å; M1-Y182 HydrophobicContact CE-CE1 3.76Å; M1-Y182 WeakPolarHBondContact O-CA 3.32Å; I3-Y182 HydrophobicContact CB-CD1 4.43Å; I3-Y182 HydrophobicContact CB-CG 4.26Å; I3-Y182 HydrophobicContact CD1-CD1 3.91Å; I3-Y182 HydrophobicContact CD1-CD2 3.55Å; I3-Y182 HydrophobicContact CD1-CE2 4.29Å; I3-Y182 HydrophobicContact CD1-CG 3.3Å; I3-Y182 HydrophobicContact CG1-CD1 3.52Å; I3-Y182 HydrophobicContact CG1-CD2 4.13Å; I3-Y182 HydrophobicContact CG1-CE1 4.26Å; I3-Y182 HydrophobicContact CG1-CG 3.41Å; I3-Y182 VanDerWaalsContact CG1-CG 3.41Å; L55-Y182 HydrophobicContact CD1-CD1 3.94Å; L55-Y182 HydrophobicContact CD1-CD2 4.44Å; L55-Y182 HydrophobicContact CD1-CE1 3.54Å; L55-Y182 HydrophobicContact CD1-CE2 4.09Å; L55-Y182 HydrophobicContact CD1-CG 4.35Å; F56-Y182 VanDerWaalsContact O-CE1 3.3Å; F56-Y182 WeakPolarHBondContact O-CE1 3.37Å; S163-Y182 CarbonylContact C-O 3.09Å; S163-Y182 WeakPolarHBondContact CA-O 3.4Å; L164-Y182 PolarHBondContact N-O 3.29Å; L164-Y182 PolarHBondContact O-N 3.48Å; I166-Y182 HydrophobicContact CD1-CD2 4.44Å; I166-Y182 HydrophobicContact CD1-CE2 3.94Å; I166-Y182 HydrophobicContact CG1-CD2 4.48Å; I166-Y182 HydrophobicContact CG1-CE2 4.21Å; L180-Y182 HydrophobicContact CB-CD2 4.26Å; L180-Y182 HydrophobicContact CB-CE2 3.46Å; L180-Y182 VanDerWaalsContact CB-CE2 3.46Å; L180-Y182 HydrophobicContact CD1-CE2 4.44Å; L180-Y182 WeakPolarHBondContact CD1-OH 3.26Å; Y182-V184 PolarHBondContact O-N 3.43Å
183A83.7Confident85.4Confident34 Ų3456.3 Ų56.328%0.28129%0.285SS..EExtended strand (participates in β ladder)trans-67133.2169.400000109.2M1 I3M1-A183 PolarHBondContact O-N 2.47Å; I3-A183 CarbonylContact C-O 3.52Å; I3-A183 WeakPolarHBondContact CA-O 3.04Å; I3-A183 PolarHBondContact N-O 2.99Å
184V84.2Confident86.2Confident19 Ų1951.5 Ų51.512%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-99.3120.1176.2179.70000109.4I3 V5 L123 F147 L162 L164 Y182I3-V184 HydrophobicContact CG2-CG2 4.09Å; I3-V184 WeakPolarHBondContact O-CA 3.29Å; V5-V184 HydrophobicContact CB-CG1 3.85Å; V5-V184 HydrophobicContact CG2-CG1 3.66Å; L123-V184 HydrophobicContact CD1-CG2 4.2Å; F147-V184 HydrophobicContact CE1-CG1 3.84Å; F147-V184 HydrophobicContact CZ-CG1 4.47Å; L162-V184 HydrophobicContact CB-CB 3.83Å; L162-V184 HydrophobicContact CB-CG1 4.39Å; L162-V184 HydrophobicContact CB-CG2 4.43Å; L162-V184 PolarHBondContact O-N 3.36Å; L164-V184 HydrophobicContact CB-CG2 4.09Å; Y182-V184 PolarHBondContact O-N 3.43Å
185Q80.5Confident87.2Confident16 Ų1652.8 Ų52.88%0.07526%0.255CS..PPolyproline II helixtrans-100.4133.7176.8-170.9173.91.500110.7I3 R4 P188 T267I3-Q185 PolarHBondContact O-N 3.38Å; R4-Q185 HydrophobicContact CG-CB 4.29Å; Q185-P188 HydrophobicContact CB-CB 4.41Å; Q185-P188 VanDerWaalsContact CD-CB 3.5Å; Q185-P188 HydrophobicContact CG-CB 3.87Å; Q185-T267 PolarHBondContact NE2-O 3.01Å; Q185-T267 PolarHBondContact OE1-O 2.76Å
186R79Confident88.1Confident91 Ų9143.2 Ų43.234%0.34321%0.214SC..SBendtrans-95.1139.2171.6178.4172.7-173.2-166.72.9111.6F7 F147 T152 P188F7-R186 HydrophobicContact CD2-CB 3.8Å; F7-R186 HydrophobicContact CD2-CG 3.48Å; F7-R186 VanDerWaalsContact CD2-CG 3.48Å; F7-R186 HydrophobicContact CE2-CB 3.5Å; F7-R186 VanDerWaalsContact CE2-CB 3.5Å; F7-R186 HydrophobicContact CE2-CG 3.6Å; F7-R186 HydrophobicContact CG-CG 4.02Å; F7-R186 HydrophobicContact CZ-CB 4.28Å; F7-R186 HydrophobicContact CZ-CG 4.25Å; F147-R186 PolarHBondContact O-NH1 2.76Å; T152-R186 PolarHBondContact OG1-NH1 3.47Å; T152-R186 VanDerWaalsContact OG1-NH1 3.14Å; R186-P188 VanDerWaalsContact C-N 3.29Å
187N82.1Confident88.7Confident50 Ų5041 Ų4127%0.26721%0.208SC..SBendtrans44.150.8-177.8-67.4-29.6000112.4F7 N214F7-N187 WeakPolarHBondContact CB-OD1 3.42Å; N187-N214 PolarHBondContact O-ND2 2.89Å; N187-N214 VanDerWaalsContact O-ND2 3.16Å
188P87.9Confident89.3Confident3 Ų338.8 Ų38.82%0.01919%0.192CC..  trans-58.9151-179.228.5-35.8000110.6R4 S6 Q185 R186 R190 V269R4-P188 HydrophobicContact CB-CG 4.31Å; R4-P188 HydrophobicContact CG-CB 4.43Å; S6-P188 VanDerWaalsContact OG-CG 3.26Å; S6-P188 WeakPolarHBondContact OG-CG 3.4Å; Q185-P188 HydrophobicContact CB-CB 4.41Å; Q185-P188 VanDerWaalsContact CD-CB 3.5Å; Q185-P188 HydrophobicContact CG-CB 3.87Å; R186-P188 VanDerWaalsContact C-N 3.29Å; P188-R190 PolarHBondContact O-N 2.6Å; P188-V269 HydrophobicContact CB-CG2 4.16Å; P188-V269 HydrophobicContact CG-CG2 3.73Å
189A92.5Very high89.9Confident0 Ų040.1 Ų40.10%020%0.198CC..  trans-54.1134.6168.700000110E213 N214 I215 V260 R261 D262 G268 V269A189-E213 CarbonylContact C-O 3.45Å; A189-E213 WeakPolarHBondContact CA-O 3.18Å; A189-N214 VanDerWaalsContact CB-O 3.31Å; A189-N214 WeakPolarHBondContact CB-O 3.45Å; A189-I215 HydrophobicContact CB-CG1 4.43Å; A189-V260 HydrophobicContact CB-CB 4.37Å; A189-R261 VanDerWaalsContact CB-C 3.46Å; A189-D262 HydrophobicContact CB-CB 4.18Å; A189-G268 CarbonylContact O-C 3.58Å; A189-G268 VanDerWaalsContact O-C 3.25Å; A189-G268 WeakPolarHBondContact O-CA 3.46Å; A189-V269 PolarHBondContact O-N 2.64Å
190R90.3Very high90.4Very high58 Ų5836.3 Ų36.322%0.21918%0.179CC..EExtended strand (participates in β ladder)trans-151.8133.7-176.1-179.2177.2179.3-146.42.6111.8P188 G212 E213 I215 V269P188-R190 PolarHBondContact O-N 2.6Å; R190-G212 CarbonylContact O-C 3.44Å; R190-G212 WeakPolarHBondContact O-CA 3.11Å; R190-E213 PolarHBondContact N-O 3.15Å; R190-E213 PolarHBondContact O-N 2.89Å; R190-I215 WeakPolarHBondContact O-CD1 3Å; R190-V269 HydrophobicContact CB-CB 4.37Å; R190-V269 HydrophobicContact CG-CB 4.2Å
191I95Very high91Very high7 Ų735.6 Ų35.64%0.03618%0.175CC..EExtended strand (participates in β ladder)trans-85.6124.6168.3-56.3-176.5000108.8C194 L210 I215 V258 V260 F271I191-C194 HydrophobicContact CG2-CB 3.66Å; I191-L210 HydrophobicContact CB-CD1 4.47Å; I191-L210 HydrophobicContact CD1-CD1 3.63Å; I191-L210 HydrophobicContact CG1-CD1 3.88Å; I191-L210 HydrophobicContact CG2-CD1 3.84Å; I191-I215 HydrophobicContact CG1-CD1 3.86Å; I191-V258 HydrophobicContact CD1-CB 4.01Å; I191-V258 HydrophobicContact CD1-CG1 3.81Å; I191-V260 HydrophobicContact CD1-CG1 3.4Å; I191-V260 VanDerWaalsContact CD1-CG1 3.4Å; I191-V260 HydrophobicContact CG1-CG1 3.35Å; I191-F271 HydrophobicContact CB-CB 4.03Å; I191-F271 HydrophobicContact CB-CD2 3.55Å; I191-F271 HydrophobicContact CB-CE2 4.37Å; I191-F271 HydrophobicContact CB-CG 4.03Å; I191-F271 HydrophobicContact CD1-CB 4.02Å; I191-F271 HydrophobicContact CD1-CG 4.37Å; I191-F271 HydrophobicContact CG1-CB 4.41Å; I191-F271 HydrophobicContact CG2-CB 4.42Å; I191-F271 HydrophobicContact CG2-CD2 3.26Å; I191-F271 HydrophobicContact CG2-CE2 3.62Å; I191-F271 HydrophobicContact CG2-CG 3.9Å
192I92.7Very high91.6Very high87 Ų8732.8 Ų32.845%0.44616%0.158SC..EExtended strand (participates in β ladder)trans-87.2-47169.8-64.6169.7000109.3E211 E213I192-E211 PolarHBondContact N-O 2.77Å; I192-E213 HydrophobicContact CD1-CG 4Å
193Q95.1Very high92.1Very high50 Ų5034.3 Ų34.323%0.23417%0.173CC..EExtended strand (participates in β ladder)trans-139.1130.7178.7-177.6171.3-59.300110.5R195 F209 E211Q193-R195 VanDerWaalsContact CD-CZ 3.5Å; Q193-R195 HydrophobicContact CG-CG 4.18Å; Q193-R195 VanDerWaalsContact OE1-NH2 3.08Å; Q193-F209 HydrophobicContact CB-CE1 4.42Å; Q193-F209 HydrophobicContact CG-CD1 4.21Å; Q193-F209 HydrophobicContact CG-CE1 4.06Å; Q193-F209 VanDerWaalsContact NE2-CE1 3.26Å; Q193-E211 HydrophobicContact CB-CB 4.21Å; Q193-E211 PolarHBondContact N-O 3.47Å; Q193-E211 PolarHBondContact O-N 2.81Å
194C97Very high92.8Very high7 Ų732.7 Ų32.75%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-134.7128.7169.3-174.80000110.2I191 F209 L210 F271 I284I191-C194 HydrophobicContact CG2-CB 3.66Å; C194-F209 VanDerWaalsContact CA-O 3.26Å; C194-F209 WeakPolarHBondContact CA-O 3.19Å; C194-L210 HydrophobicContact CB-CD1 3.97Å; C194-F271 HydrophobicContact CB-CD1 4.31Å; C194-F271 HydrophobicContact CB-CE1 3.97Å; C194-F271 HydrophobicContact CB-CE2 4.3Å; C194-F271 HydrophobicContact CB-CZ 3.96Å; C194-I284 HydrophobicContact CB-CD1 4.25Å; C194-I284 HydrophobicContact CB-CG1 4.07Å
195R96.8Very high93.4Very high126 Ų12631.8 Ų31.848%0.47516%0.155SC..EExtended strand (participates in β ladder)trans-147.1146.8-179.5-57.5-177.8-172.71696.7111.4Q193 N197 F209Q193-R195 VanDerWaalsContact CD-CZ 3.5Å; Q193-R195 HydrophobicContact CG-CG 4.18Å; Q193-R195 VanDerWaalsContact OE1-NH2 3.08Å; R195-N197 VanDerWaalsContact CB-OD1 3.26Å; R195-N197 WeakPolarHBondContact CB-OD1 3.49Å; R195-F209 HydrophobicContact CB-CB 4.44Å; R195-F209 PolarHBondContact N-O 2.93Å; R195-F209 WeakPolarHBondContact O-CB 3.41Å; R195-F209 PolarHBondContact O-N 2.91Å
196L97.7Very high94.3Very high9 Ų931.1 Ų31.15%0.04715%0.151CC..  trans-97.384.5168.5-61.5-178.6000108.9V206 P208 W224 I254 L256 I284 C286L196-V206 HydrophobicContact CD2-CG1 4.33Å; L196-P208 HydrophobicContact CD2-CB 3.99Å; L196-W224 HydrophobicContact CD1-CZ3 3.93Å; L196-W224 HydrophobicContact CD2-CH2 3.65Å; L196-W224 HydrophobicContact CD2-CZ3 3.82Å; L196-I254 HydrophobicContact CD1-CG2 4.08Å; L196-L256 HydrophobicContact CD1-CB 4.22Å; L196-L256 HydrophobicContact CD2-CD2 4.18Å; L196-I284 HydrophobicContact CG-CG2 4.04Å; L196-C286 HydrophobicContact CB-CB 3.96Å; L196-C286 HydrophobicContact CD1-CB 3.83Å
197N94.7Very high95.2Very high72 Ų7226.8 Ų26.839%0.38514%0.135SC..  trans-86.1-18.1-172.6-71.9-17.9000114.2R195 A350R195-N197 VanDerWaalsContact CB-OD1 3.26Å; R195-N197 WeakPolarHBondContact CB-OD1 3.49Å; N197-A350 WeakPolarHBondContact O-CB 3.33Å
198T96.2Very high95.9Very high6 Ų624.4 Ų24.44%0.03712%0.123CC..SBendtrans-85.8148.5-178.755.10000111.3P200 A350 L353 P354 Y381T198-P200 WeakPolarHBondContact O-CD 3.49Å; T198-A350 CarbonylContact C-O 3.31Å; T198-A350 WeakPolarHBondContact CA-O 3.2Å; T198-L353 HydrophobicContact CG2-CD2 4.38Å; T198-P354 HydrophobicContact CG2-CG 4.02Å; T198-Y381 HydrophobicContact CG2-CE1 4.04Å
199I97.6Very high96.3Very high38 Ų3825.5 Ų25.520%0.19513%0.127CC..PPolyproline II helixtrans-73119.2174.5-60.3177000108.1M201 L291 A350 Y351I199-M201 HydrophobicContact CG2-CG 4.29Å; I199-M201 PolarHBondContact O-N 2.74Å; I199-L291 HydrophobicContact CG2-CD1 3.6Å; I199-L291 HydrophobicContact CG2-CG 4.18Å; I199-A350 HydrophobicContact CG1-CB 4.45Å; I199-A350 PolarHBondContact N-O 3.07Å; I199-Y351 HydrophobicContact CD1-CD2 4.15Å
200P98.2Very high96.4Very high0 Ų026.5 Ų26.50%013%0.132CC..PPolyproline II helixtrans-73.9126.3178.429.6-30.1000109.9T198 V206 P245 I254 S288 P289 V290 L291T198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-V206 HydrophobicContact CB-CG2 3.65Å; P200-P245 HydrophobicContact CB-CG 4.31Å; P200-I254 HydrophobicContact CB-CD1 3.49Å; P200-I254 VanDerWaalsContact CB-CD1 3.49Å; P200-I254 HydrophobicContact CG-CD1 4.06Å; P200-S288 WeakPolarHBondContact CG-O 3.43Å; P200-P289 WeakPolarHBondContact CG-O 3.44Å; P200-V290 HydrophobicContact CB-CG2 4.25Å; P200-V290 HydrophobicContact CG-CG2 4.42Å; P200-V290 WeakPolarHBondContact O-CA 3.37Å; P200-L291 PolarHBondContact O-N 2.91Å
201M98.2Very high96.6Very high2 Ų227.6 Ų27.61%0.0114%0.14CC..BIsolated β-bridgetrans-130.5147.5179.2-71.7175-75.400109.9I199 G203 C204 L291 A293 Y351 P354 L355I199-M201 HydrophobicContact CG2-CG 4.29Å; I199-M201 PolarHBondContact O-N 2.74Å; M201-G203 PolarHBondContact O-N 3.16Å; M201-C204 HydrophobicContact CB-CB 3.93Å; M201-C204 WeakPolarHBondContact O-CB 3.39Å; M201-C204 PolarHBondContact O-N 3.24Å; M201-L291 CarbonylContact C-O 3.48Å; M201-L291 VanDerWaalsContact CA-O 3.24Å; M201-L291 WeakPolarHBondContact CA-O 3.44Å; M201-L291 HydrophobicContact CG-CB 4.25Å; M201-A293 HydrophobicContact CB-CB 4.19Å; M201-Y351 HydrophobicContact CE-CD2 4.23Å; M201-Y351 HydrophobicContact CE-CE2 4.36Å; M201-Y351 WeakPolarHBondContact CE-O 3.5Å; M201-Y351 HydrophobicContact SD-CD2 4.18Å; M201-Y351 HydrophobicContact SD-CE2 3.82Å; M201-P354 HydrophobicContact CE-CB 3.87Å; M201-P354 HydrophobicContact CE-CG 4.23Å; M201-L355 HydrophobicContact CE-CD2 4.01Å; M201-L355 HydrophobicContact CE-CG 3.93Å; M201-L355 HydrophobicContact SD-CD2 4.29Å
202V98.1Very high96.5Very high14 Ų1428.9 Ų28.99%0.08516%0.155CC..THydrogen-bonded Turntrans-54.5131.8177.2179.90000111.3C204 E247 V250 V290 L291 A293V202-C204 PolarHBondContact O-N 2.98Å; V202-C204 VanDerWaalsContact O-N 3.13Å; V202-C204 PolarHBondContact O-SG 3.49Å; V202-E247 HydrophobicContact CG1-CG 4.16Å; V202-E247 WeakPolarHBondContact CG1-OE1 2.99Å; V202-V250 HydrophobicContact CG2-CG2 3.44Å; V202-V250 VanDerWaalsContact CG2-CG2 3.44Å; V202-V290 HydrophobicContact CG2-CG1 4.22Å; V202-L291 PolarHBondContact N-O 2.85Å; V202-A293 VanDerWaalsContact O-CB 3.3Å; V202-A293 WeakPolarHBondContact O-CB 3.45Å
203G96.7Very high96.4Very high31 Ų3128.9 Ų28.932%0.3215%0.153SC..THydrogen-bonded Turntrans69.42.2-178.800000114.9M201 P245 R358M201-G203 PolarHBondContact O-N 3.16Å; G203-P245 PolarHBondContact N-O 2.91Å; G203-R358 WeakPolarHBondContact O-CD 3.5Å
204C97.8Very high96.3Very high0 Ų030.6 Ų30.60%016%0.164CC..SBendtrans-105135.3-179.8-55.50000110.9M201 V202 V206 P245 P354M201-C204 HydrophobicContact CB-CB 3.93Å; M201-C204 WeakPolarHBondContact O-CB 3.39Å; M201-C204 PolarHBondContact O-N 3.24Å; V202-C204 PolarHBondContact O-N 2.98Å; V202-C204 VanDerWaalsContact O-N 3.13Å; V202-C204 PolarHBondContact O-SG 3.49Å; C204-V206 PolarHBondContact O-N 2.92Å; C204-P245 VanDerWaalsContact O-CD 3.23Å; C204-P245 WeakPolarHBondContact O-CD 3.49Å; C204-P354 HydrophobicContact CB-CB 3.71Å
205P97.9Very high96.2Very high1 Ų132.1 Ų32.11%0.00617%0.171CC..  trans-64.2129.6179.1-2435.4000113.5V207 L242 I244 P354 L357 F361P205-V207 HydrophobicContact CB-CG2 4.3Å; P205-L242 HydrophobicContact CB-CD1 4.4Å; P205-I244 HydrophobicContact CB-CG1 4.49Å; P205-I244 HydrophobicContact CG-CD1 4.44Å; P205-I244 HydrophobicContact CG-CG1 4.39Å; P205-P354 WeakPolarHBondContact CD-O 3.43Å; P205-L357 HydrophobicContact CB-CB 4.26Å; P205-L357 HydrophobicContact CB-CD1 4.42Å; P205-L357 HydrophobicContact CG-CB 3.94Å; P205-F361 HydrophobicContact CB-CD2 4.42Å; P205-F361 HydrophobicContact CB-CE2 3.78Å; P205-F361 HydrophobicContact CB-CZ 4.43Å; P205-F361 HydrophobicContact CG-CD2 3.43Å; P205-F361 VanDerWaalsContact CG-CD2 3.43Å; P205-F361 HydrophobicContact CG-CE2 3.27Å; P205-F361 HydrophobicContact CG-CG 4.43Å; P205-F361 HydrophobicContact CG-CZ 4.16Å
206V98.2Very high96.1Very high1 Ų126.7 Ų26.71%0.00615%0.152CC..BIsolated β-bridgetrans-98.6112.9167.9-175.70000107.7L196 P200 C204 W224 L242 F243 P245 I254L196-V206 HydrophobicContact CD2-CG1 4.33Å; P200-V206 HydrophobicContact CB-CG2 3.65Å; C204-V206 PolarHBondContact O-N 2.92Å; V206-W224 HydrophobicContact CB-CH2 4.41Å; V206-W224 HydrophobicContact CB-CZ3 4.44Å; V206-W224 HydrophobicContact CG1-CH2 3.95Å; V206-W224 HydrophobicContact CG1-CZ3 3.88Å; V206-L242 WeakPolarHBondContact O-CA 3.32Å; V206-L242 WeakPolarHBondContact O-CB 3.26Å; V206-F243 WeakPolarHBondContact CB-O 3.35Å; V206-F243 PolarHBondContact N-O 3.48Å; V206-F243 PolarHBondContact O-N 3.06Å; V206-P245 HydrophobicContact CG2-CG 3.92Å; V206-I254 HydrophobicContact CG2-CD1 4.11Å
207V97.6Very high95.9Very high1 Ų128.1 Ų28.11%0.00616%0.16CC..  trans-115.5128.3-176-178.40000108.9P205 F209 F241 L242 L357 Y381 A385P205-V207 HydrophobicContact CB-CG2 4.3Å; V207-F209 PolarHBondContact O-N 3.47Å; V207-F241 HydrophobicContact CG1-CE1 3.73Å; V207-F241 HydrophobicContact CG1-CZ 4.05Å; V207-L242 HydrophobicContact CG2-CB 3.98Å; V207-L242 HydrophobicContact CG2-CD2 4.19Å; V207-L357 HydrophobicContact CG2-CD1 3.78Å; V207-Y381 HydrophobicContact CB-CD1 4.06Å; V207-Y381 HydrophobicContact CG1-CD1 4.06Å; V207-A385 HydrophobicContact CG1-CB 4.46Å; V207-A385 HydrophobicContact CG2-CB 3.92Å
208P97.6Very high95.8Very high0 Ų030.6 Ų30.60%018%0.178CC..  trans-70132.4177.228.1-32.4000111L196 L210 F222 F241 L256L196-P208 HydrophobicContact CD2-CB 3.99Å; P208-L210 PolarHBondContact O-N 2.82Å; P208-F222 HydrophobicContact CG-CE1 4.41Å; P208-F241 VanDerWaalsContact CD-O 3.22Å; P208-F241 WeakPolarHBondContact CD-O 3.24Å; P208-F241 HydrophobicContact CG-CD2 4.39Å; P208-F241 HydrophobicContact CG-CE2 3.92Å; P208-F241 HydrophobicContact CG-CZ 4.22Å; P208-L256 HydrophobicContact CB-CD2 3.72Å; P208-L256 HydrophobicContact CG-CD2 4.06Å
209F96.6Very high95.8Very high25 Ų2533.1 Ų33.111%0.1119%0.191CC..EExtended strand (participates in β ladder)trans-66.5119.6159.7-179.6-83.3000107.4Q193 C194 R195 V207 E211 K380 Y381Q193-F209 HydrophobicContact CB-CE1 4.42Å; Q193-F209 HydrophobicContact CG-CD1 4.21Å; Q193-F209 HydrophobicContact CG-CE1 4.06Å; Q193-F209 VanDerWaalsContact NE2-CE1 3.26Å; C194-F209 VanDerWaalsContact CA-O 3.26Å; C194-F209 WeakPolarHBondContact CA-O 3.19Å; R195-F209 HydrophobicContact CB-CB 4.44Å; R195-F209 PolarHBondContact N-O 2.93Å; R195-F209 WeakPolarHBondContact O-CB 3.41Å; R195-F209 PolarHBondContact O-N 2.91Å; V207-F209 PolarHBondContact O-N 3.47Å; F209-E211 HydrophobicContact CE1-CB 4.07Å; F209-K380 HydrophobicContact CD2-CB 4.05Å; F209-K380 HydrophobicContact CD2-CG 4.23Å; F209-K380 HydrophobicContact CE2-CB 4.11Å; F209-K380 HydrophobicContact CE2-CD 4.36Å; F209-K380 HydrophobicContact CE2-CG 3.77Å; F209-K380 HydrophobicContact CZ-CD 4.5Å; F209-K380 HydrophobicContact CZ-CG 4.34Å; F209-Y381 WeakPolarHBondContact CB-OH 3.38Å; F209-Y381 AromaticContact CD2-CE2 3.97Å; F209-Y381 HydrophobicContact CD2-CE2 3.97Å
210L94.8Very high95.8Very high22 Ų2231.8 Ų31.812%0.11519%0.185CC..EExtended strand (participates in β ladder)trans-127.4128.3179.4-165.275.8000111.3I191 C194 P208 I215 L217I191-L210 HydrophobicContact CB-CD1 4.47Å; I191-L210 HydrophobicContact CD1-CD1 3.63Å; I191-L210 HydrophobicContact CG1-CD1 3.88Å; I191-L210 HydrophobicContact CG2-CD1 3.84Å; C194-L210 HydrophobicContact CB-CD1 3.97Å; P208-L210 PolarHBondContact O-N 2.82Å; L210-I215 HydrophobicContact CD2-CD1 3.94Å; L210-I215 HydrophobicContact CD2-CG2 4.41Å; L210-I215 HydrophobicContact CG-CD1 4.35Å; L210-L217 HydrophobicContact CD2-CD2 3.47Å; L210-L217 VanDerWaalsContact CD2-CD2 3.47Å
211E94Very high95.8Very high81 Ų8134.9 Ų34.938%0.37920%0.199SC..EExtended strand (participates in β ladder)trans-130.2132.3168.8-174.6171.4-160.100109I192 Q193 F209I192-E211 PolarHBondContact N-O 2.77Å; Q193-E211 HydrophobicContact CB-CB 4.21Å; Q193-E211 PolarHBondContact N-O 3.47Å; Q193-E211 PolarHBondContact O-N 2.81Å; F209-E211 HydrophobicContact CE1-CB 4.07Å
212G92.3Very high95.8Very high34 Ų3435.1 Ų35.135%0.35120%0.2SC..EExtended strand (participates in β ladder)trans178.7-178.7-173.800000112.4R190R190-G212 CarbonylContact O-C 3.44Å; R190-G212 WeakPolarHBondContact O-CA 3.11Å
213E91Very high95.8Very high86 Ų8635.1 Ų35.140%0.40220%0.2SC..EExtended strand (participates in β ladder)trans-125.4141.4-169.8-64168.316500109.5A189 R190 I192 I215A189-E213 CarbonylContact C-O 3.45Å; A189-E213 WeakPolarHBondContact CA-O 3.18Å; R190-E213 PolarHBondContact N-O 3.15Å; R190-E213 PolarHBondContact O-N 2.89Å; I192-E213 HydrophobicContact CD1-CG 4Å; E213-I215 WeakPolarHBondContact O-CG1 3.41Å; E213-I215 PolarHBondContact O-N 2.85Å
214N92.9Very high95.9Very high86 Ų8633.7 Ų33.746%0.4619%0.185SC..SBendtrans53.921.6176.3-50.5-59.7000114.5N187 A189 D262N187-N214 PolarHBondContact O-ND2 2.89Å; N187-N214 VanDerWaalsContact O-ND2 3.16Å; A189-N214 VanDerWaalsContact CB-O 3.31Å; A189-N214 WeakPolarHBondContact CB-O 3.45Å; N214-D262 WeakPolarHBondContact O-CA 3.04Å; N214-D262 WeakPolarHBondContact O-CB 3.25Å
215I94.4Very high96Very high39 Ų3934.2 Ų34.220%0.219%0.187CC..  trans-81.9126.6179.9-54.9177.9000109.2A189 R190 I191 L210 E213 L217 V260A189-I215 HydrophobicContact CB-CG1 4.43Å; R190-I215 WeakPolarHBondContact O-CD1 3Å; I191-I215 HydrophobicContact CG1-CD1 3.86Å; L210-I215 HydrophobicContact CD2-CD1 3.94Å; L210-I215 HydrophobicContact CD2-CG2 4.41Å; L210-I215 HydrophobicContact CG-CD1 4.35Å; E213-I215 WeakPolarHBondContact O-CG1 3.41Å; E213-I215 PolarHBondContact O-N 2.85Å; I215-L217 HydrophobicContact CG2-CD2 4.03Å; I215-V260 HydrophobicContact CD1-CG1 4.24Å; I215-V260 HydrophobicContact CG1-CG1 4.49Å; I215-V260 HydrophobicContact CG2-CG1 4.31Å
216C95.2Very high96Very high12 Ų1234.8 Ų34.88%0.08119%0.191CC..  trans-98.9107.3163.5-178.80000108.9T218 N219 S220 R261 D262 I263C216-T218 VanDerWaalsContact C-N 3.28Å; C216-T218 PolarHBondContact O-N 2.96Å; C216-T218 PolarHBondContact SG-OG1 3.46Å; C216-N219 HydrophobicContact CB-CB 4.08Å; C216-N219 PolarHBondContact O-N 2.81Å; C216-N219 VanDerWaalsContact SG-CG 3.51Å; C216-S220 WeakPolarHBondContact O-CB 3.35Å; C216-S220 PolarHBondContact O-N 2.98Å; C216-S220 PolarHBondContact O-OG 2.78Å; C216-R261 PolarHBondContact N-O 2.93Å; C216-D262 VanDerWaalsContact CB-O 3.32Å; C216-D262 WeakPolarHBondContact CB-O 3.15Å; C216-I263 HydrophobicContact CB-CB 4.44Å; C216-I263 HydrophobicContact CB-CD1 4.4Å
217L94.2Very high95.9Very high39 Ų3935.2 Ų35.220%0.20420%0.195CC..THydrogen-bonded Turntrans-62.1-35.9-177.5-65.4-179.9000112.6L210 I215 N219 S220 F222 F241 N384L210-L217 HydrophobicContact CD2-CD2 3.47Å; L210-L217 VanDerWaalsContact CD2-CD2 3.47Å; I215-L217 HydrophobicContact CG2-CD2 4.03Å; L217-N219 VanDerWaalsContact C-N 3.35Å; L217-S220 PolarHBondContact O-N 3.35Å; L217-F222 HydrophobicContact CD2-CE2 4.48Å; L217-F222 HydrophobicContact CD2-CZ 3.89Å; L217-F241 HydrophobicContact CD1-CE2 4.07Å; L217-F241 HydrophobicContact CD1-CZ 4.36Å; L217-F241 HydrophobicContact CD2-CD2 4.3Å; L217-F241 HydrophobicContact CD2-CE2 3.98Å; L217-N384 HydrophobicContact CD1-CB 3.82Å; L217-N384 WeakPolarHBondContact CD1-ND2 3.5Å; L217-N384 WeakPolarHBondContact CD1-OD1 3.32Å
218T93Very high95.7Very high125 Ų12540.9 Ų40.977%0.76722%0.221SC*.THydrogen-bonded Turntrans-71.5-30-178.953.50000112.9C216C216-T218 VanDerWaalsContact C-N 3.28Å; C216-T218 PolarHBondContact O-N 2.96Å; C216-T218 PolarHBondContact SG-OG1 3.46Å
219N95.8Very high95.2Very high58 Ų5843.8 Ų43.831%0.3124%0.241SC..THydrogen-bonded Turntrans-86.7-21.4175.6-65.4-8.3000111.8C216 L217 R261 D262 I263C216-N219 HydrophobicContact CB-CB 4.08Å; C216-N219 PolarHBondContact O-N 2.81Å; C216-N219 VanDerWaalsContact SG-CG 3.51Å; L217-N219 VanDerWaalsContact C-N 3.35Å; N219-R261 HydrophobicContact CB-CB 3.96Å; N219-R261 WeakPolarHBondContact O-CD 3.4Å; N219-R261 WeakPolarHBondContact O-CG 3.5Å; N219-D262 PolarHBondContact ND2-O 2.86Å; N219-I263 PolarHBondContact ND2-O 2.96Å
220S97.8Very high94.7Very high10 Ų1051.3 Ų51.37%0.0727%0.274CS..SBendtrans-76150.5-179.3-60.90000111.5C216 L217 L259 R261C216-S220 WeakPolarHBondContact O-CB 3.35Å; C216-S220 PolarHBondContact O-N 2.98Å; C216-S220 PolarHBondContact O-OG 2.78Å; L217-S220 PolarHBondContact O-N 3.35Å; S220-L259 CarbonylContact C-O 3.6Å; S220-L259 WeakPolarHBondContact CA-O 3.26Å; S220-L259 WeakPolarHBondContact CB-O 3.39Å; S220-R261 PolarHBondContact OG-N 2.75Å; S220-R261 PolarHBondContact OG-O 2.6Å
221E98.1Very high94.6Very high66 Ų6658.3 Ų58.331%0.30830%0.304SS..EExtended strand (participates in β ladder)trans-107.4133.8179.5-55.2172.8-134.800110.6V258 L259 R261E221-V258 WeakPolarHBondContact O-CA 3.46Å; E221-L259 HydrophobicContact CB-CB 4.13Å; E221-L259 PolarHBondContact N-O 2.9Å; E221-L259 PolarHBondContact O-N 2.89Å; E221-L259 WeakPolarHBondContact OE1-CD2 3.43Å; E221-R261 IonicContact OE1-CZ 2.66Å; E221-R261 IonicContact OE1-NE 3.3Å; E221-R261 IonicContact OE1-NH2 2.85Å; E221-R261 PolarHBondContact OE1-NH2 3.21Å
222F98.4Very high94.6Very high7 Ų756.8 Ų56.83%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-124.3111.3-178.2-65.7-97.2000108.1P208 L217 K239 G240 F241 L256 V258P208-F222 HydrophobicContact CG-CE1 4.41Å; L217-F222 HydrophobicContact CD2-CE2 4.48Å; L217-F222 HydrophobicContact CD2-CZ 3.89Å; F222-K239 WeakPolarHBondContact O-CA 3.46Å; F222-G240 WeakPolarHBondContact CB-O 3.45Å; F222-G240 PolarHBondContact O-N 2.98Å; F222-F241 HydrophobicContact CD1-CD2 4.3Å; F222-F241 HydrophobicContact CD2-CB 4.43Å; F222-F241 HydrophobicContact CD2-CD2 4.36Å; F222-F241 AromaticContact CE1-CD2 3.83Å; F222-F241 HydrophobicContact CE1-CD2 3.83Å; F222-F241 HydrophobicContact CE1-CE2 4.18Å; F222-F241 AromaticContact CE2-CD2 3.88Å; F222-F241 HydrophobicContact CE2-CD2 3.88Å; F222-F241 AromaticContact CZ-CD2 3.62Å; F222-F241 HydrophobicContact CZ-CD2 3.62Å; F222-F241 HydrophobicContact CZ-CE2 4.1Å; F222-L256 HydrophobicContact CB-CD1 4.04Å; F222-L256 HydrophobicContact CD1-CD1 4.19Å; F222-L256 HydrophobicContact CD1-CD2 4.37Å; F222-V258 HydrophobicContact CD1-CG1 3.96Å; F222-V258 HydrophobicContact CD1-CG2 3.87Å; F222-V258 HydrophobicContact CE1-CG1 3.69Å; F222-V258 HydrophobicContact CE1-CG2 4.09Å; F222-V258 HydrophobicContact CZ-CG1 4.07Å
223L98.5Very high94.7Very high14 Ų1458 Ų587%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-109.6119.2-176.5-56.3-173.5000109.8F225 P236 K239 L256 K257 Y280L223-F225 HydrophobicContact CB-CE2 3.79Å; L223-F225 HydrophobicContact CB-CZ 4.37Å; L223-P236 HydrophobicContact CB-CB 4.04Å; L223-P236 HydrophobicContact CB-CG 4.39Å; L223-P236 HydrophobicContact CD2-CG 4.25Å; L223-K239 HydrophobicContact CD2-CB 4.38Å; L223-K239 HydrophobicContact CD2-CD 3.87Å; L223-K239 HydrophobicContact CD2-CG 3.67Å; L223-L256 WeakPolarHBondContact O-CA 3.36Å; L223-K257 HydrophobicContact CB-CB 4.33Å; L223-K257 PolarHBondContact N-O 3.49Å; L223-K257 PolarHBondContact O-N 2.84Å; L223-Y280 HydrophobicContact CD1-CD1 4.04Å; L223-Y280 HydrophobicContact CD1-CE1 3.34Å; L223-Y280 HydrophobicContact CD1-CE2 4.39Å; L223-Y280 HydrophobicContact CG-CD1 4.38Å; L223-Y280 HydrophobicContact CG-CE1 3.77Å
224W98.6Very high94.9Very high0 Ų062 Ų620%032%0.32CS..EExtended strand (participates in β ladder)trans-102.9137.3-177.8-62.886.5000111.1L196 V206 P236 C237 H238 G240 F243 I254 Q255 L256L196-W224 HydrophobicContact CD1-CZ3 3.93Å; L196-W224 HydrophobicContact CD2-CH2 3.65Å; L196-W224 HydrophobicContact CD2-CZ3 3.82Å; V206-W224 HydrophobicContact CB-CH2 4.41Å; V206-W224 HydrophobicContact CB-CZ3 4.44Å; V206-W224 HydrophobicContact CG1-CH2 3.95Å; V206-W224 HydrophobicContact CG1-CZ3 3.88Å; W224-P236 CarbonylContact O-C 3.56Å; W224-P236 WeakPolarHBondContact O-CA 3.38Å; W224-P236 WeakPolarHBondContact O-CB 3.5Å; W224-C237 PolarHBondContact O-N 2.86Å; W224-C237 PolarHBondContact O-SG 2.9Å; W224-C237 VanDerWaalsContact O-SG 3.33Å; W224-H238 HydrophobicContact CB-CB 4.13Å; W224-H238 AromaticContact CD1-CD2 3.71Å; W224-H238 PolarHBondContact N-O 3.23Å; W224-H238 PolarHBondContact O-N 3.04Å; W224-G240 PolarHBondContact NE1-O 2.87Å; W224-F243 HydrophobicContact CB-CB 4.31Å; W224-F243 HydrophobicContact CB-CD2 4.36Å; W224-F243 HydrophobicContact CB-CG 4.22Å; W224-F243 HydrophobicContact CD2-CB 3.33Å; W224-F243 HydrophobicContact CD2-CG 4.07Å; W224-F243 HydrophobicContact CE3-CB 3.65Å; W224-F243 HydrophobicContact CE3-CD1 4.2Å; W224-F243 HydrophobicContact CE3-CG 4.2Å; W224-F243 HydrophobicContact CG-CB 3.65Å; W224-F243 HydrophobicContact CG-CD2 4.49Å; W224-F243 HydrophobicContact CG-CG 4.09Å; W224-F243 HydrophobicContact CH2-CB 4.29Å; W224-F243 HydrophobicContact CZ2-CB 4.04Å; W224-F243 HydrophobicContact CZ3-CB 4.11Å; W224-I254 HydrophobicContact CE3-CG2 3.54Å; W224-I254 HydrophobicContact CZ3-CG2 3.72Å; W224-Q255 WeakPolarHBondContact CA-O 3.38Å; W224-L256 HydrophobicContact CD2-CD1 3.94Å; W224-L256 HydrophobicContact CE3-CB 4.16Å; W224-L256 HydrophobicContact CE3-CD1 4.39Å; W224-L256 HydrophobicContact CG-CD1 4.33Å; W224-L256 HydrophobicContact CH2-CB 4.49Å; W224-L256 HydrophobicContact CH2-CD2 4.15Å; W224-L256 HydrophobicContact CZ2-CD1 4.03Å; W224-L256 HydrophobicContact CZ2-CD2 4.18Å; W224-L256 HydrophobicContact CZ3-CB 4.15Å
225F98.3Very high95Very high12 Ų1266.1 Ų66.15%0.05333%0.334CS..EExtended strand (participates in β ladder)trans-126.7136178.8-59.9-101.4000108.3L223 W232 P233 K235 P236 I254 Q255 K257L223-F225 HydrophobicContact CB-CE2 3.79Å; L223-F225 HydrophobicContact CB-CZ 4.37Å; F225-W232 HydrophobicContact CB-CE3 4.12Å; F225-P233 WeakPolarHBondContact CD1-O 3.37Å; F225-K235 VanDerWaalsContact CE1-C 3.46Å; F225-P236 HydrophobicContact CD1-CB 4.45Å; F225-P236 HydrophobicContact CD2-CB 4.49Å; F225-P236 HydrophobicContact CE1-CB 4.07Å; F225-P236 VanDerWaalsContact CE1-N 3.35Å; F225-P236 HydrophobicContact CE2-CB 4.09Å; F225-P236 HydrophobicContact CZ-CB 3.86Å; F225-P236 HydrophobicContact CZ-CG 4.38Å; F225-I254 WeakPolarHBondContact O-CA 3.37Å; F225-Q255 HydrophobicContact CB-CB 4.32Å; F225-Q255 PolarHBondContact N-O 3.29Å; F225-Q255 PolarHBondContact O-N 3.43Å; F225-K257 HydrophobicContact CD2-CG 4.41Å; F225-K257 HydrophobicContact CE2-CB 4.19Å; F225-K257 HydrophobicContact CE2-CD 3.81Å; F225-K257 HydrophobicContact CE2-CG 3.92Å; F225-K257 HydrophobicContact CZ-CD 4.21Å
226V98Very high95.2Very high13 Ų1366.2 Ų66.28%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-120.5134171.6-179.60000108.1P233 F243 H249 L252 S253 I254V226-P233 VanDerWaalsContact O-CG 3.29Å; V226-P233 WeakPolarHBondContact O-CG 3.1Å; V226-F243 HydrophobicContact CG2-CE1 3.56Å; V226-F243 HydrophobicContact CG2-CZ 3.6Å; V226-H249 HydrophobicContact CG1-CB 3.98Å; V226-L252 HydrophobicContact CG1-CB 3.54Å; V226-L252 HydrophobicContact CG1-CD1 3.78Å; V226-L252 HydrophobicContact CG1-CG 4.31Å; V226-S253 WeakPolarHBondContact CA-O 3.34Å; V226-I254 HydrophobicContact CG2-CG1 4.25Å
227G96.4Very high95.3Very high9 Ų969 Ų699%0.09336%0.356CS..EExtended strand (participates in β ladder)trans179.3-171179.700000113.5S253G227-S253 PolarHBondContact N-O 2.82Å; G227-S253 PolarHBondContact O-N 2.8Å
228Q93.6Very high95.5Very high121 Ų12170.5 Ų70.557%0.56536%0.362SS*.BIsolated β-bridgetrans-70.7137.1172.4-67.3-64.1-23.100109.1K230 K231 L252Q228-K230 PolarHBondContact O-N 3.2Å; Q228-K231 HydrophobicContact CB-CB 4.2Å; Q228-K231 CarbonylContact O-C 3.57Å; Q228-K231 VanDerWaalsContact O-C 3.3Å; Q228-K231 WeakPolarHBondContact O-CA 3.47Å; Q228-K231 PolarHBondContact O-N 3.44Å; Q228-K231 VanDerWaalsContact O-O 3.06Å; Q228-L252 VanDerWaalsContact NE2-CD2 3.34Å
229S87.1Confident95.7Very high60 Ų6071.7 Ų71.742%0.4236%0.356SS..THydrogen-bonded Turntrans-52.2134.3179.7-177.30000110.6K231S229-K231 PolarHBondContact O-N 2.92Å; S229-K231 VanDerWaalsContact O-N 3.07Å
230K87.1Confident95.7Very high183 Ų18370.2 Ų70.280%0.79636%0.355SS*.THydrogen-bonded Turntrans65-1.9-176-50.3175.2-178.6175.70115.9Q228Q228-K230 PolarHBondContact O-N 3.2Å
231K91.8Very high95.7Very high169 Ų16970.5 Ų70.574%0.73536%0.355SS*.BIsolated β-bridgetrans-123.279.1174.2-69.8-176-179.7179.80109.2Q228 S229Q228-K231 HydrophobicContact CB-CB 4.2Å; Q228-K231 CarbonylContact O-C 3.57Å; Q228-K231 VanDerWaalsContact O-C 3.3Å; Q228-K231 WeakPolarHBondContact O-CA 3.47Å; Q228-K231 PolarHBondContact O-N 3.44Å; Q228-K231 VanDerWaalsContact O-O 3.06Å; S229-K231 PolarHBondContact O-N 2.92Å; S229-K231 VanDerWaalsContact O-N 3.07Å
232W94.7Very high95.7Very high49 Ų4967.9 Ų67.919%0.18634%0.343CS..  trans-88.6141.6-174.4-59.6108.9000111.9F225 S253 Q255 E285F225-W232 HydrophobicContact CB-CE3 4.12Å; W232-S253 WeakPolarHBondContact CZ3-O 3.31Å; W232-Q255 HydrophobicContact CD2-CB 3.99Å; W232-Q255 HydrophobicContact CE3-CB 3.83Å; W232-Q255 HydrophobicContact CH2-CB 3.54Å; W232-Q255 HydrophobicContact CZ2-CB 3.73Å; W232-Q255 HydrophobicContact CZ3-CB 3.59Å; W232-E285 HydrophobicContact CZ2-CG 3.98Å; W232-E285 WeakPolarHBondContact CZ2-OE1 3.01Å; W232-E285 PolarHBondContact NE1-OE1 2.87Å
233P94.9Very high95.7Very high61 Ų6168 Ų6840%0.39634%0.343SS..  trans-59.6153.2171.7-22.633000112.7F225 V226 K235F225-P233 WeakPolarHBondContact CD1-O 3.37Å; V226-P233 VanDerWaalsContact O-CG 3.29Å; V226-P233 WeakPolarHBondContact O-CG 3.1Å; P233-K235 VanDerWaalsContact C-N 3.3Å; P233-K235 PolarHBondContact O-N 3.02Å
234N93.6Very high95.7Very high169 Ų16969.5 Ų69.590%0.90435%0.351SS*.SBendtrans-70.8-24.8178.1-71.5-29.7000113.5
235K96Very high95.7Very high173 Ų17369.6 Ų69.675%0.75235%0.352SS*.SBendtrans-117.1144.1-179.4-66.4-177.6-179178.70110F225 P233F225-K235 VanDerWaalsContact CE1-C 3.46Å; P233-K235 VanDerWaalsContact C-N 3.3Å; P233-K235 PolarHBondContact O-N 3.02Å
236P97.6Very high95.6Very high41 Ų4172 Ų7227%0.26637%0.368SS..  trans-67.3144.3173.529-34000110.6L223 W224 F225 K239L223-P236 HydrophobicContact CB-CB 4.04Å; L223-P236 HydrophobicContact CB-CG 4.39Å; L223-P236 HydrophobicContact CD2-CG 4.25Å; W224-P236 CarbonylContact O-C 3.56Å; W224-P236 WeakPolarHBondContact O-CA 3.38Å; W224-P236 WeakPolarHBondContact O-CB 3.5Å; F225-P236 HydrophobicContact CD1-CB 4.45Å; F225-P236 HydrophobicContact CD2-CB 4.49Å; F225-P236 HydrophobicContact CE1-CB 4.07Å; F225-P236 VanDerWaalsContact CE1-N 3.35Å; F225-P236 HydrophobicContact CE2-CB 4.09Å; F225-P236 HydrophobicContact CZ-CB 3.86Å; F225-P236 HydrophobicContact CZ-CG 4.38Å; P236-K239 HydrophobicContact CG-CG 4.5Å
237C97.3Very high95.6Very high69 Ų6977.3 Ų77.347%0.46639%0.392SS..SBendtrans-81.5-20.1172.562.30000112.1W224W224-C237 PolarHBondContact O-N 2.86Å; W224-C237 PolarHBondContact O-SG 2.9Å; W224-C237 VanDerWaalsContact O-SG 3.33Å
238H98.1Very high95.7Very high72 Ų7283.6 Ų83.633%0.33342%0.423SS..EExtended strand (participates in β ladder)trans-150.3151178.1-177.871.8000112.1W224 L242 F243W224-H238 HydrophobicContact CB-CB 4.13Å; W224-H238 AromaticContact CD1-CD2 3.71Å; W224-H238 PolarHBondContact N-O 3.23Å; W224-H238 PolarHBondContact O-N 3.04Å; H238-L242 PolarHBondContact CD2-O 2.9Å; H238-L242 PolarHBondContact NE2-O 2.89Å; H238-L242 VanDerWaalsContact NE2-O 3.17Å; H238-F243 HydrophobicContact CB-CD2 3.53Å; H238-F243 HydrophobicContact CB-CE2 3.77Å; H238-F243 AromaticContact CD2-CD2 3.85Å; H238-F243 AromaticContact CG-CD2 3.76Å
239K97.8Very high95.9Very high149 Ų14979.4 Ų79.465%0.64840%0.403SS*.EExtended strand (participates in β ladder)trans-126.1124.5173.2-58.8-168.7179.3-178.90109.4F222 L223 P236F222-K239 WeakPolarHBondContact O-CA 3.46Å; L223-K239 HydrophobicContact CD2-CB 4.38Å; L223-K239 HydrophobicContact CD2-CD 3.87Å; L223-K239 HydrophobicContact CD2-CG 3.67Å; P236-K239 HydrophobicContact CG-CG 4.5Å
240G97Very high96.4Very high27 Ų2779.5 Ų79.528%0.27840%0.401SS..SBendtrans154.2159.1-177.900000112.3F222 W224 L242F222-G240 WeakPolarHBondContact CB-O 3.45Å; F222-G240 PolarHBondContact O-N 2.98Å; W224-G240 PolarHBondContact NE1-O 2.87Å; G240-L242 PolarHBondContact O-N 3.16Å
241F97.2Very high97Very high16 Ų1673.1 Ų73.17%0.0739%0.388CS..SBendtrans-56.2-34.8-175.4174.2-111.4000113.9V207 P208 L217 F222 N384 S388V207-F241 HydrophobicContact CG1-CE1 3.73Å; V207-F241 HydrophobicContact CG1-CZ 4.05Å; P208-F241 VanDerWaalsContact CD-O 3.22Å; P208-F241 WeakPolarHBondContact CD-O 3.24Å; P208-F241 HydrophobicContact CG-CD2 4.39Å; P208-F241 HydrophobicContact CG-CE2 3.92Å; P208-F241 HydrophobicContact CG-CZ 4.22Å; L217-F241 HydrophobicContact CD1-CE2 4.07Å; L217-F241 HydrophobicContact CD1-CZ 4.36Å; L217-F241 HydrophobicContact CD2-CD2 4.3Å; L217-F241 HydrophobicContact CD2-CE2 3.98Å; F222-F241 HydrophobicContact CD1-CD2 4.3Å; F222-F241 HydrophobicContact CD2-CB 4.43Å; F222-F241 HydrophobicContact CD2-CD2 4.36Å; F222-F241 AromaticContact CE1-CD2 3.83Å; F222-F241 HydrophobicContact CE1-CD2 3.83Å; F222-F241 HydrophobicContact CE1-CE2 4.18Å; F222-F241 AromaticContact CE2-CD2 3.88Å; F222-F241 HydrophobicContact CE2-CD2 3.88Å; F222-F241 AromaticContact CZ-CD2 3.62Å; F222-F241 HydrophobicContact CZ-CD2 3.62Å; F222-F241 HydrophobicContact CZ-CE2 4.1Å; F241-N384 HydrophobicContact CD1-CB 4.36Å; F241-N384 HydrophobicContact CE1-CB 3.53Å; F241-N384 HydrophobicContact CZ-CB 3.69Å; F241-S388 WeakPolarHBondContact CD1-OG 3.4Å
242L97.5Very high97.2Very high12 Ų1267 Ų676%0.06336%0.362CS..SBendtrans-125.8167.1177.96680.1000110.3P205 V206 V207 H238 G240 I244 F361 A385 Y389P205-L242 HydrophobicContact CB-CD1 4.4Å; V206-L242 WeakPolarHBondContact O-CA 3.32Å; V206-L242 WeakPolarHBondContact O-CB 3.26Å; V207-L242 HydrophobicContact CG2-CB 3.98Å; V207-L242 HydrophobicContact CG2-CD2 4.19Å; H238-L242 PolarHBondContact CD2-O 2.9Å; H238-L242 PolarHBondContact NE2-O 2.89Å; H238-L242 VanDerWaalsContact NE2-O 3.17Å; G240-L242 PolarHBondContact O-N 3.16Å; L242-I244 HydrophobicContact CD1-CD1 4.44Å; L242-I244 HydrophobicContact CD1-CG1 4.04Å; L242-F361 HydrophobicContact CD1-CE2 4.48Å; L242-F361 HydrophobicContact CD2-CE2 3.84Å; L242-F361 HydrophobicContact CD2-CZ 3.75Å; L242-A385 HydrophobicContact CD2-CB 4.24Å; L242-Y389 HydrophobicContact CD1-CD2 4.1Å
243F98.2Very high97.4Very high8 Ų865.8 Ų65.84%0.03536%0.362CS..BIsolated β-bridgetrans-133.7143.4178.1172.8-118.7000111.3V206 W224 V226 H238 P245 H249 I254V206-F243 WeakPolarHBondContact CB-O 3.35Å; V206-F243 PolarHBondContact N-O 3.48Å; V206-F243 PolarHBondContact O-N 3.06Å; W224-F243 HydrophobicContact CB-CB 4.31Å; W224-F243 HydrophobicContact CB-CD2 4.36Å; W224-F243 HydrophobicContact CB-CG 4.22Å; W224-F243 HydrophobicContact CD2-CB 3.33Å; W224-F243 HydrophobicContact CD2-CG 4.07Å; W224-F243 HydrophobicContact CE3-CB 3.65Å; W224-F243 HydrophobicContact CE3-CD1 4.2Å; W224-F243 HydrophobicContact CE3-CG 4.2Å; W224-F243 HydrophobicContact CG-CB 3.65Å; W224-F243 HydrophobicContact CG-CD2 4.49Å; W224-F243 HydrophobicContact CG-CG 4.09Å; W224-F243 HydrophobicContact CH2-CB 4.29Å; W224-F243 HydrophobicContact CZ2-CB 4.04Å; W224-F243 HydrophobicContact CZ3-CB 4.11Å; V226-F243 HydrophobicContact CG2-CE1 3.56Å; V226-F243 HydrophobicContact CG2-CZ 3.6Å; H238-F243 HydrophobicContact CB-CD2 3.53Å; H238-F243 HydrophobicContact CB-CE2 3.77Å; H238-F243 AromaticContact CD2-CD2 3.85Å; H238-F243 AromaticContact CG-CD2 3.76Å; F243-P245 HydrophobicContact CD1-CG 4.24Å; F243-P245 HydrophobicContact CE1-CB 4.33Å; F243-P245 HydrophobicContact CE1-CG 4.05Å; F243-H249 AromaticContact CZ-CE1 3.54Å; F243-H249 AromaticContact CZ-ND1 3.56Å; F243-I254 HydrophobicContact CD1-CD1 4.02Å; F243-I254 HydrophobicContact CE1-CD1 4.03Å; F243-I254 HydrophobicContact CE1-CG1 4.38Å
244I98.3Very high97.6Very high47 Ų4762.9 Ų62.924%0.24134%0.343CS..  trans-116.3110.5177.2-59.9178.8000108P205 L242 Y389P205-I244 HydrophobicContact CB-CG1 4.49Å; P205-I244 HydrophobicContact CG-CD1 4.44Å; P205-I244 HydrophobicContact CG-CG1 4.39Å; L242-I244 HydrophobicContact CD1-CD1 4.44Å; L242-I244 HydrophobicContact CD1-CG1 4.04Å; I244-Y389 HydrophobicContact CD1-CD2 4.32Å; I244-Y389 HydrophobicContact CD1-CE2 3.45Å; I244-Y389 VanDerWaalsContact CD1-CE2 3.45Å
245P98.4Very high97.7Very high2 Ų255.2 Ų55.21%0.01330%0.302CS..  trans-65.3150177.4-20.633.1000112.7P200 G203 C204 V206 F243 H249 I254 V290P200-P245 HydrophobicContact CB-CG 4.31Å; G203-P245 PolarHBondContact N-O 2.91Å; C204-P245 VanDerWaalsContact O-CD 3.23Å; C204-P245 WeakPolarHBondContact O-CD 3.49Å; V206-P245 HydrophobicContact CG2-CG 3.92Å; F243-P245 HydrophobicContact CD1-CG 4.24Å; F243-P245 HydrophobicContact CE1-CB 4.33Å; F243-P245 HydrophobicContact CE1-CG 4.05Å; P245-H249 HydrophobicContact CB-CB 4.32Å; P245-I254 HydrophobicContact CG-CD1 4.07Å; P245-V290 HydrophobicContact CB-CG1 3.58Å; P245-V290 HydrophobicContact CB-CG2 4.2Å; P245-V290 HydrophobicContact CG-CG1 4.21Å; P245-V290 HydrophobicContact CG-CG2 4.38Å
246T98.1Very high97.9Very high62 Ų6247 Ų4738%0.3827%0.266SS..  trans-111173.7175.860.10000109.6D248 H249T246-D248 PolarHBondContact O-N 3.23Å; T246-H249 PolarHBondContact N-ND1 2.99Å; T246-H249 VanDerWaalsContact N-ND1 3.16Å; T246-H249 WeakPolarHBondContact O-CB 3.37Å; T246-H249 PolarHBondContact O-N 2.86Å; T246-H249 PolarHBondContact OG1-CE1 3.3Å; T246-H249 VanDerWaalsContact OG1-CE1 3.24Å; T246-H249 PolarHBondContact OG1-ND1 3.36Å
247E97.8Very high97.9Very high125 Ų12547.4 Ų47.458%0.58426%0.264SS*.G310 helixtrans-57.2-36.6178.5-62.8-63.5167.100112.6V202 H249 V250V202-E247 HydrophobicContact CG1-CG 4.16Å; V202-E247 WeakPolarHBondContact CG1-OE1 2.99Å; E247-H249 PolarHBondContact O-N 2.71Å; E247-V250 VanDerWaalsContact O-CG2 3.32Å; E247-V250 WeakPolarHBondContact O-CG2 3.14Å; E247-V250 PolarHBondContact O-N 3.36Å; E247-V250 VanDerWaalsContact O-N 3.16Å
248D97.7Very high97.9Very high141 Ų14144.1 Ų44.175%0.75424%0.242SC*.G310 helixtrans-63.5-15.2177.7-57.8-37.2000113.8T246T246-D248 PolarHBondContact O-N 3.23Å
249H98.1Very high97.9Very high33 Ų3341.2 Ų41.215%0.15323%0.228CC..G310 helixtrans-91.4-9.7-179.1-59.7148000113.5V226 F243 P245 T246 E247 G251 L252 V290V226-H249 HydrophobicContact CG1-CB 3.98Å; F243-H249 AromaticContact CZ-CE1 3.54Å; F243-H249 AromaticContact CZ-ND1 3.56Å; P245-H249 HydrophobicContact CB-CB 4.32Å; T246-H249 PolarHBondContact N-ND1 2.99Å; T246-H249 VanDerWaalsContact N-ND1 3.16Å; T246-H249 WeakPolarHBondContact O-CB 3.37Å; T246-H249 PolarHBondContact O-N 2.86Å; T246-H249 PolarHBondContact OG1-CE1 3.3Å; T246-H249 VanDerWaalsContact OG1-CE1 3.24Å; T246-H249 PolarHBondContact OG1-ND1 3.36Å; E247-H249 PolarHBondContact O-N 2.71Å; H249-G251 PolarHBondContact O-N 3.15Å; H249-L252 VanDerWaalsContact O-CB 3.27Å; H249-L252 WeakPolarHBondContact O-CB 3.43Å; H249-L252 PolarHBondContact O-N 3.1Å; H249-V290 HydrophobicContact CB-CB 4.42Å; H249-V290 HydrophobicContact CB-CG1 4.25Å; H249-V290 HydrophobicContact CB-CG2 4.1Å; H249-V290 VanDerWaalsContact O-CB 3.27Å; H249-V290 WeakPolarHBondContact O-CB 3.29Å
250V98.3Very high97.8Very high61 Ų6134.2 Ų34.237%0.3720%0.198SC..THydrogen-bonded Turntrans-55.9133.1-175.7174.60000111.3V202 E247 L252V202-V250 HydrophobicContact CG2-CG2 3.44Å; V202-V250 VanDerWaalsContact CG2-CG2 3.44Å; E247-V250 VanDerWaalsContact O-CG2 3.32Å; E247-V250 WeakPolarHBondContact O-CG2 3.14Å; E247-V250 PolarHBondContact O-N 3.36Å; E247-V250 VanDerWaalsContact O-N 3.16Å; V250-L252 PolarHBondContact O-N 3.04Å
251G97.8Very high97.8Very high50 Ų5035.5 Ų35.552%0.51519%0.194SC..THydrogen-bonded Turntrans78.3-9.6-177.400000115H249 V290H249-G251 PolarHBondContact O-N 3.15Å; G251-V290 PolarHBondContact N-O 2.69Å
252L98Very high97.5Very high39 Ų3935.9 Ų35.920%0.20420%0.197CC..  trans-87.3160177.7-55.6-178.6000111.9V226 Q228 H249 V250 P289 V290V226-L252 HydrophobicContact CG1-CB 3.54Å; V226-L252 HydrophobicContact CG1-CD1 3.78Å; V226-L252 HydrophobicContact CG1-CG 4.31Å; Q228-L252 VanDerWaalsContact NE2-CD2 3.34Å; H249-L252 VanDerWaalsContact O-CB 3.27Å; H249-L252 WeakPolarHBondContact O-CB 3.43Å; H249-L252 PolarHBondContact O-N 3.1Å; V250-L252 PolarHBondContact O-N 3.04Å; L252-P289 CarbonylContact O-C 3.56Å; L252-P289 VanDerWaalsContact O-CA 3.26Å; L252-P289 WeakPolarHBondContact O-CA 3.47Å; L252-V290 PolarHBondContact O-N 3.04Å
253S97.9Very high97.2Very high25 Ų2541.7 Ų41.718%0.17523%0.227CC..EExtended strand (participates in β ladder)trans-91.1151.6177.1-59.50000111.2V226 G227 W232V226-S253 WeakPolarHBondContact CA-O 3.34Å; G227-S253 PolarHBondContact N-O 2.82Å; G227-S253 PolarHBondContact O-N 2.8Å; W232-S253 WeakPolarHBondContact CZ3-O 3.31Å
254I98.1Very high96.8Very high0 Ų049.9 Ų49.90%026%0.262CS..EExtended strand (participates in β ladder)trans-108.5135.8175.1-62.2176.9000110L196 P200 V206 W224 F225 V226 F243 P245 C286 V290L196-I254 HydrophobicContact CD1-CG2 4.08Å; P200-I254 HydrophobicContact CB-CD1 3.49Å; P200-I254 VanDerWaalsContact CB-CD1 3.49Å; P200-I254 HydrophobicContact CG-CD1 4.06Å; V206-I254 HydrophobicContact CG2-CD1 4.11Å; W224-I254 HydrophobicContact CE3-CG2 3.54Å; W224-I254 HydrophobicContact CZ3-CG2 3.72Å; F225-I254 WeakPolarHBondContact O-CA 3.37Å; V226-I254 HydrophobicContact CG2-CG1 4.25Å; F243-I254 HydrophobicContact CD1-CD1 4.02Å; F243-I254 HydrophobicContact CE1-CD1 4.03Å; F243-I254 HydrophobicContact CE1-CG1 4.38Å; P245-I254 HydrophobicContact CG-CD1 4.07Å; I254-C286 HydrophobicContact CB-CB 4.07Å; I254-C286 PolarHBondContact O-N 2.96Å; I254-V290 HydrophobicContact CD1-CG2 3.77Å; I254-V290 HydrophobicContact CG1-CG2 3.84Å
255Q97.6Very high96.5Very high8 Ų848.9 Ų48.94%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-126140.5168.5178-176.893.100110.6W224 F225 W232 P283 I284 E285W224-Q255 WeakPolarHBondContact CA-O 3.38Å; F225-Q255 HydrophobicContact CB-CB 4.32Å; F225-Q255 PolarHBondContact N-O 3.29Å; F225-Q255 PolarHBondContact O-N 3.43Å; W232-Q255 HydrophobicContact CD2-CB 3.99Å; W232-Q255 HydrophobicContact CE3-CB 3.83Å; W232-Q255 HydrophobicContact CH2-CB 3.54Å; W232-Q255 HydrophobicContact CZ2-CB 3.73Å; W232-Q255 HydrophobicContact CZ3-CB 3.59Å; Q255-P283 HydrophobicContact CG-CB 3.64Å; Q255-P283 VanDerWaalsContact NE2-CB 3.32Å; Q255-I284 CarbonylContact C-O 3.25Å; Q255-I284 WeakPolarHBondContact CA-O 3.34Å; Q255-E285 HydrophobicContact CB-CG 4.3Å; Q255-E285 HydrophobicContact CG-CG 4.16Å; Q255-E285 PolarHBondContact NE2-OE1 3.09Å; Q255-E285 VanDerWaalsContact NE2-OE1 3.1Å
256L98.3Very high96.1Very high0 Ų052.8 Ų52.80%028%0.283CS..EExtended strand (participates in β ladder)trans-115.1135.4174.2172.763.8000110L196 P208 F222 L223 W224 V258 I284L196-L256 HydrophobicContact CD1-CB 4.22Å; L196-L256 HydrophobicContact CD2-CD2 4.18Å; P208-L256 HydrophobicContact CB-CD2 3.72Å; P208-L256 HydrophobicContact CG-CD2 4.06Å; F222-L256 HydrophobicContact CB-CD1 4.04Å; F222-L256 HydrophobicContact CD1-CD1 4.19Å; F222-L256 HydrophobicContact CD1-CD2 4.37Å; L223-L256 WeakPolarHBondContact O-CA 3.36Å; W224-L256 HydrophobicContact CD2-CD1 3.94Å; W224-L256 HydrophobicContact CE3-CB 4.16Å; W224-L256 HydrophobicContact CE3-CD1 4.39Å; W224-L256 HydrophobicContact CG-CD1 4.33Å; W224-L256 HydrophobicContact CH2-CB 4.49Å; W224-L256 HydrophobicContact CH2-CD2 4.15Å; W224-L256 HydrophobicContact CZ2-CD1 4.03Å; W224-L256 HydrophobicContact CZ2-CD2 4.18Å; W224-L256 HydrophobicContact CZ3-CB 4.15Å; L256-V258 HydrophobicContact CD1-CG2 4.06Å; L256-V258 HydrophobicContact CD2-CG2 3.76Å; L256-V258 HydrophobicContact CG-CG2 3.66Å; L256-I284 HydrophobicContact CB-CB 4.43Å; L256-I284 PolarHBondContact N-O 2.88Å; L256-I284 PolarHBondContact O-N 2.98Å
257K97.6Very high95.9Very high50 Ų5050.7 Ų50.722%0.21727%0.27CS..EExtended strand (participates in β ladder)trans-117.4135.8167.5-68.4-169-175.3-1690109.3L223 F225 Y280 P283L223-K257 HydrophobicContact CB-CB 4.33Å; L223-K257 PolarHBondContact N-O 3.49Å; L223-K257 PolarHBondContact O-N 2.84Å; F225-K257 HydrophobicContact CD2-CG 4.41Å; F225-K257 HydrophobicContact CE2-CB 4.19Å; F225-K257 HydrophobicContact CE2-CD 3.81Å; F225-K257 HydrophobicContact CE2-CG 3.92Å; F225-K257 HydrophobicContact CZ-CD 4.21Å; K257-Y280 HydrophobicContact CB-CD1 4.16Å; K257-Y280 HydrophobicContact CB-CG 4.27Å; K257-P283 HydrophobicContact CG-CB 4.16Å; K257-P283 HydrophobicContact CG-CG 4.34Å
258V98.1Very high95.5Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-127.6119.4-172.3-170.20000111.3I191 E221 F222 L256 V260 Y280 I284I191-V258 HydrophobicContact CD1-CB 4.01Å; I191-V258 HydrophobicContact CD1-CG1 3.81Å; E221-V258 WeakPolarHBondContact O-CA 3.46Å; F222-V258 HydrophobicContact CD1-CG1 3.96Å; F222-V258 HydrophobicContact CD1-CG2 3.87Å; F222-V258 HydrophobicContact CE1-CG1 3.69Å; F222-V258 HydrophobicContact CE1-CG2 4.09Å; F222-V258 HydrophobicContact CZ-CG1 4.07Å; L256-V258 HydrophobicContact CD1-CG2 4.06Å; L256-V258 HydrophobicContact CD2-CG2 3.76Å; L256-V258 HydrophobicContact CG-CG2 3.66Å; V258-V260 HydrophobicContact CG1-CG1 3.89Å; V258-Y280 CarbonylContact O-C 3.59Å; V258-Y280 WeakPolarHBondContact O-CA 3.49Å; V258-Y280 VanDerWaalsContact O-O 3.06Å; V258-I284 HydrophobicContact CG2-CD1 4.09Å
259L97.5Very high95.2Very high11 Ų1138.1 Ų38.16%0.05821%0.207CC..EExtended strand (participates in β ladder)trans-97.9102167.5-179.463.8000108.6S220 E221 R261 T267 P279 Y280S220-L259 CarbonylContact C-O 3.6Å; S220-L259 WeakPolarHBondContact CA-O 3.26Å; S220-L259 WeakPolarHBondContact CB-O 3.39Å; E221-L259 HydrophobicContact CB-CB 4.13Å; E221-L259 PolarHBondContact N-O 2.9Å; E221-L259 PolarHBondContact O-N 2.89Å; E221-L259 WeakPolarHBondContact OE1-CD2 3.43Å; L259-R261 VanDerWaalsContact CD2-NH2 3.25Å; L259-T267 HydrophobicContact CD1-CG2 3.47Å; L259-T267 VanDerWaalsContact CD1-CG2 3.47Å; L259-T267 HydrophobicContact CG-CG2 4.36Å; L259-P279 HydrophobicContact CD1-CB 3.89Å; L259-P279 WeakPolarHBondContact CD1-O 3.4Å; L259-Y280 HydrophobicContact CB-CD1 3.68Å; L259-Y280 HydrophobicContact CB-CE1 3.61Å; L259-Y280 HydrophobicContact CB-CG 4.42Å; L259-Y280 HydrophobicContact CD2-CE1 4.46Å
260V96.1Very high95Very high1 Ų136.8 Ų36.81%0.00620%0.201CC..  trans-77.5142.9-180-73.50000112.4A189 I191 I215 V258 T267 G268 V269A189-V260 HydrophobicContact CB-CB 4.37Å; I191-V260 HydrophobicContact CD1-CG1 3.4Å; I191-V260 VanDerWaalsContact CD1-CG1 3.4Å; I191-V260 HydrophobicContact CG1-CG1 3.35Å; I215-V260 HydrophobicContact CD1-CG1 4.24Å; I215-V260 HydrophobicContact CG1-CG1 4.49Å; I215-V260 HydrophobicContact CG2-CG1 4.31Å; V258-V260 HydrophobicContact CG1-CG1 3.89Å; V260-T267 CarbonylContact O-C 3.42Å; V260-T267 WeakPolarHBondContact O-CA 3.36Å; V260-G268 PolarHBondContact O-N 2.88Å; V260-V269 WeakPolarHBondContact CG2-O 3.25Å
261R96.1Very high94.8Very high55 Ų5535.2 Ų35.221%0.20819%0.189CC..BIsolated β-bridgetrans-136.1156.1173.9-54.2-166.1-173-104.61.5111.1A189 C216 N219 S220 E221 L259 G265 M266 T267A189-R261 VanDerWaalsContact CB-C 3.46Å; C216-R261 PolarHBondContact N-O 2.93Å; N219-R261 HydrophobicContact CB-CB 3.96Å; N219-R261 WeakPolarHBondContact O-CD 3.4Å; N219-R261 WeakPolarHBondContact O-CG 3.5Å; S220-R261 PolarHBondContact OG-N 2.75Å; S220-R261 PolarHBondContact OG-O 2.6Å; E221-R261 IonicContact OE1-CZ 2.66Å; E221-R261 IonicContact OE1-NE 3.3Å; E221-R261 IonicContact OE1-NH2 2.85Å; E221-R261 PolarHBondContact OE1-NH2 3.21Å; L259-R261 VanDerWaalsContact CD2-NH2 3.25Å; R261-G265 WeakPolarHBondContact CD-O 3.49Å; R261-G265 PolarHBondContact NH1-O 2.94Å; R261-M266 CarbonylContact C-O 3.57Å; R261-M266 WeakPolarHBondContact CA-O 3.25Å; R261-T267 PolarHBondContact NH1-OG1 3.43Å
262D91.2Very high94.6Very high23 Ų2333.9 Ų33.912%0.12318%0.176CC..  trans-86.1-178.517168.218.4000112A189 N214 C216 N219 K264 G265 M266A189-D262 HydrophobicContact CB-CB 4.18Å; N214-D262 WeakPolarHBondContact O-CA 3.04Å; N214-D262 WeakPolarHBondContact O-CB 3.25Å; C216-D262 VanDerWaalsContact CB-O 3.32Å; C216-D262 WeakPolarHBondContact CB-O 3.15Å; N219-D262 PolarHBondContact ND2-O 2.86Å; D262-K264 PolarHBondContact O-N 2.83Å; D262-K264 WeakPolarHBondContact OD1-CA 3.44Å; D262-K264 WeakPolarHBondContact OD1-CB 3.45Å; D262-K264 PolarHBondContact OD1-N 2.89Å; D262-G265 PolarHBondContact O-N 2.83Å; D262-G265 PolarHBondContact OD1-N 2.81Å; D262-M266 PolarHBondContact N-O 2.76Å; D262-M266 PolarHBondContact OD1-N 2.84Å; D262-M266 WeakPolarHBondContact OD2-CB 3.32Å
263I92Very high94.2Very high135 Ų13538 Ų3869%0.69220%0.203SC*.THydrogen-bonded Turntrans-63-23.2-179.9-165.560.9000113C216 N219 G265C216-I263 HydrophobicContact CB-CB 4.44Å; C216-I263 HydrophobicContact CB-CD1 4.4Å; N219-I263 PolarHBondContact ND2-O 2.96Å; I263-G265 VanDerWaalsContact C-N 3.29Å
264K89.8Confident93.7Very high179 Ų17938.8 Ų38.878%0.77821%0.208SC*.THydrogen-bonded Turntrans-85.8-1.8176.1-58.9-179.5-179.3179.60112.3D262 M266D262-K264 PolarHBondContact O-N 2.83Å; D262-K264 WeakPolarHBondContact OD1-CA 3.44Å; D262-K264 WeakPolarHBondContact OD1-CB 3.45Å; D262-K264 PolarHBondContact OD1-N 2.89Å; K264-M266 VanDerWaalsContact C-N 3.27Å; K264-M266 HydrophobicContact CB-CG 4.42Å; K264-M266 PolarHBondContact O-N 2.92Å
265G91.9Very high93.1Very high26 Ų2643.5 Ų43.527%0.26823%0.228SC..  trans79.28.4-177.800000113.6R261 D262 I263 T267R261-G265 WeakPolarHBondContact CD-O 3.49Å; R261-G265 PolarHBondContact NH1-O 2.94Å; D262-G265 PolarHBondContact O-N 2.83Å; D262-G265 PolarHBondContact OD1-N 2.81Å; I263-G265 VanDerWaalsContact C-N 3.29Å; G265-T267 PolarHBondContact O-N 3.49Å
266M90.9Very high92.5Very high84 Ų8448.2 Ų48.241%0.41425%0.247SC..  trans-73.7131.2175.7-67.5-74.3-78.800109W2 R261 D262 K264W2-M266 HydrophobicContact CH2-CE 3.72Å; W2-M266 HydrophobicContact CH2-SD 4.12Å; W2-M266 HydrophobicContact CZ3-CE 3.56Å; W2-M266 HydrophobicContact CZ3-SD 4.48Å; R261-M266 CarbonylContact C-O 3.57Å; R261-M266 WeakPolarHBondContact CA-O 3.25Å; D262-M266 PolarHBondContact N-O 2.76Å; D262-M266 PolarHBondContact OD1-N 2.84Å; D262-M266 WeakPolarHBondContact OD2-CB 3.32Å; K264-M266 VanDerWaalsContact C-N 3.27Å; K264-M266 HydrophobicContact CB-CG 4.42Å; K264-M266 PolarHBondContact O-N 2.92Å
267T92.2Very high91.9Very high18 Ų1850 Ų5011%0.1125%0.254CS..BIsolated β-bridgetrans-57.3145.1175-570000110.1R4 Q185 L259 V260 R261 G265R4-T267 PolarHBondContact NE-O 3.03Å; R4-T267 PolarHBondContact NH2-O 3.25Å; Q185-T267 PolarHBondContact NE2-O 3.01Å; Q185-T267 PolarHBondContact OE1-O 2.76Å; L259-T267 HydrophobicContact CD1-CG2 3.47Å; L259-T267 VanDerWaalsContact CD1-CG2 3.47Å; L259-T267 HydrophobicContact CG-CG2 4.36Å; V260-T267 CarbonylContact O-C 3.42Å; V260-T267 WeakPolarHBondContact O-CA 3.36Å; R261-T267 PolarHBondContact NH1-OG1 3.43Å; G265-T267 PolarHBondContact O-N 3.49Å
268G91.2Very high91.6Very high0 Ų049.9 Ų49.90%026%0.256CS..  trans-106.8179.2178.800000113.2R4 A189 V260R4-G268 VanDerWaalsContact CZ-C 3.47Å; R4-G268 PolarHBondContact NE-O 2.64Å; R4-G268 VanDerWaalsContact NH1-C 3.32Å; R4-G268 PolarHBondContact NH1-O 3Å; A189-G268 CarbonylContact O-C 3.58Å; A189-G268 VanDerWaalsContact O-C 3.25Å; A189-G268 WeakPolarHBondContact O-CA 3.46Å; V260-G268 PolarHBondContact O-N 2.88Å
269V90.9Very high91.2Very high2 Ų252 Ų521%0.01227%0.27CS..BIsolated β-bridgetrans-61.5126.1-179.51800000110.7R4 S6 E54 P188 A189 R190 V260 F271R4-V269 HydrophobicContact CB-CG2 3.79Å; R4-V269 HydrophobicContact CG-CG2 4.4Å; S6-V269 WeakPolarHBondContact OG-CG2 3.28Å; E54-V269 VanDerWaalsContact CD-CG1 3.41Å; E54-V269 HydrophobicContact CG-CG1 4.43Å; E54-V269 WeakPolarHBondContact OE2-CG1 3.18Å; P188-V269 HydrophobicContact CB-CG2 4.16Å; P188-V269 HydrophobicContact CG-CG2 3.73Å; A189-V269 PolarHBondContact O-N 2.64Å; R190-V269 HydrophobicContact CB-CB 4.37Å; R190-V269 HydrophobicContact CG-CB 4.2Å; V260-V269 WeakPolarHBondContact CG2-O 3.25Å; V269-F271 PolarHBondContact O-N 2.8Å
270P92.8Very high91.1Very high5 Ų554 Ų543%0.03228%0.277CS..PPolyproline II helixtrans-56.6137.7176.1-24.833.9000112.4F56 R77 F277 D278F56-P270 HydrophobicContact CZ-CG 4.17Å; R77-P270 PolarHBondContact NH2-O 3.31Å; P270-F277 HydrophobicContact CG-CD2 4.07Å; P270-F277 HydrophobicContact CG-CE2 3.69Å; P270-D278 WeakPolarHBondContact CB-O 3.42Å; P270-D278 WeakPolarHBondContact CG-O 3.36Å
271F94.8Very high91Very high29 Ų2954.1 Ų54.113%0.12728%0.278CS..SBendtrans-67.1154.6-178.2175.4-116.3000113.3I191 C194 V269 G281 Q282 I284I191-F271 HydrophobicContact CB-CB 4.03Å; I191-F271 HydrophobicContact CB-CD2 3.55Å; I191-F271 HydrophobicContact CB-CE2 4.37Å; I191-F271 HydrophobicContact CB-CG 4.03Å; I191-F271 HydrophobicContact CD1-CB 4.02Å; I191-F271 HydrophobicContact CD1-CG 4.37Å; I191-F271 HydrophobicContact CG1-CB 4.41Å; I191-F271 HydrophobicContact CG2-CB 4.42Å; I191-F271 HydrophobicContact CG2-CD2 3.26Å; I191-F271 HydrophobicContact CG2-CE2 3.62Å; I191-F271 HydrophobicContact CG2-CG 3.9Å; C194-F271 HydrophobicContact CB-CD1 4.31Å; C194-F271 HydrophobicContact CB-CE1 3.97Å; C194-F271 HydrophobicContact CB-CE2 4.3Å; C194-F271 HydrophobicContact CB-CZ 3.96Å; V269-F271 PolarHBondContact O-N 2.8Å; F271-G281 CarbonylContact O-C 3.45Å; F271-G281 VanDerWaalsContact O-CA 3.24Å; F271-G281 WeakPolarHBondContact O-CA 3.02Å; F271-Q282 PolarHBondContact O-N 3.38Å; F271-I284 HydrophobicContact CD1-CD1 3.84Å; F271-I284 HydrophobicContact CD1-CG1 3.98Å; F271-I284 HydrophobicContact CE1-CD1 4.09Å; F271-I284 HydrophobicContact CE1-CG1 3.69Å
272G92.6Very high90.9Very high22 Ų2255.3 Ų55.323%0.22729%0.286CS..SBendtrans83.9-169.1172.100000113.8R77R77-G272 PolarHBondContact NH1-O 3.15Å
273T89.9Confident91.1Very high126 Ų12656.3 Ų56.377%0.77329%0.294SS*.  trans-115.416-17356.10000113.3K275T273-K275 PolarHBondContact O-N 3.32Å
274S88.4Confident91.3Very high40 Ų4050.4 Ų50.428%0.2826%0.264SS..  trans-48.7130.1177.4-65.10000111.5R77 Y276R77-S274 PolarHBondContact NH1-O 3.12Å; S274-Y276 VanDerWaalsContact C-N 3.29Å; S274-Y276 PolarHBondContact O-N 3.46Å
275K84.3Confident91.6Very high99 Ų9946.1 Ų46.143%0.4325%0.246SC..SBendtrans-66.4-33179.8-177.3176.4-177.4173.60112.4R76 R77 T273R76-K275 CarbonylContact C-O 3.59Å; R76-K275 WeakPolarHBondContact CA-O 3.33Å; R76-K275 HydrophobicContact CG-CG 4.23Å; R76-K275 VanDerWaalsContact NH2-CE 3.34Å; R77-K275 PolarHBondContact N-O 3.07Å; T273-K275 PolarHBondContact O-N 3.32Å
276Y84.9Confident91.8Very high108 Ų10845.4 Ų45.442%0.42424%0.237SC..BIsolated β-bridgetrans-102146.7178.8-57.7-70.8000110.4R74 Q75 S274 D278R74-Y276 HydrophobicContact CB-CD1 4.5Å; Q75-Y276 CarbonylContact O-C 3.4Å; Q75-Y276 VanDerWaalsContact O-CA 3.23Å; Q75-Y276 WeakPolarHBondContact O-CA 3.28Å; S274-Y276 VanDerWaalsContact C-N 3.29Å; S274-Y276 PolarHBondContact O-N 3.46Å; Y276-D278 PolarHBondContact O-N 3.07Å
277F86.5Confident92Very high36 Ų3651.4 Ų51.416%0.15826%0.261CS..  trans-69.2119.6177.7-179.7-105.3000110.1F56 Q75 P270 P279F56-F277 HydrophobicContact CB-CD2 4.3Å; F56-F277 HydrophobicContact CD1-CB 3.72Å; F56-F277 AromaticContact CD1-CD2 3.49Å; F56-F277 HydrophobicContact CD1-CD2 3.49Å; F56-F277 VanDerWaalsContact CD1-CD2 3.49Å; F56-F277 HydrophobicContact CD1-CG 4.03Å; F56-F277 AromaticContact CD2-CD2 3.96Å; F56-F277 HydrophobicContact CD2-CD2 3.96Å; F56-F277 HydrophobicContact CD2-CE2 4.28Å; F56-F277 HydrophobicContact CE1-CB 4.26Å; F56-F277 AromaticContact CE1-CD2 3.65Å; F56-F277 HydrophobicContact CE1-CD2 3.65Å; F56-F277 HydrophobicContact CE1-CG 4.44Å; F56-F277 HydrophobicContact CE2-CD2 4.12Å; F56-F277 HydrophobicContact CE2-CE2 4.35Å; F56-F277 HydrophobicContact CG-CB 4.34Å; F56-F277 AromaticContact CG-CD2 3.64Å; F56-F277 HydrophobicContact CG-CD2 3.64Å; F56-F277 HydrophobicContact CG-CE2 4.37Å; F56-F277 HydrophobicContact CG-CG 4.3Å; F56-F277 AromaticContact CZ-CD2 3.97Å; F56-F277 HydrophobicContact CZ-CD2 3.97Å; F56-F277 HydrophobicContact CZ-CE2 4.49Å; Q75-F277 HydrophobicContact CB-CB 3.59Å; Q75-F277 HydrophobicContact CB-CG 4.37Å; Q75-F277 PolarHBondContact O-N 3.42Å; P270-F277 HydrophobicContact CG-CD2 4.07Å; P270-F277 HydrophobicContact CG-CE2 3.69Å; F277-P279 HydrophobicContact CE1-CB 4.35Å; F277-P279 HydrophobicContact CZ-CB 4.16Å
278D90.5Very high92.2Very high49 Ų4952 Ų5226%0.26227%0.266SS..  trans-122.6126.9159.1-174.6-32.6000105.2P270 Y276 Y280 G281P270-D278 WeakPolarHBondContact CB-O 3.42Å; P270-D278 WeakPolarHBondContact CG-O 3.36Å; Y276-D278 PolarHBondContact O-N 3.07Å; D278-Y280 PolarHBondContact O-N 3.46Å; D278-Y280 VanDerWaalsContact O-N 3.15Å; D278-Y280 WeakPolarHBondContact OD1-CB 3.39Å; D278-Y280 PolarHBondContact OD1-N 2.9Å; D278-G281 PolarHBondContact O-N 3.31Å
279P91.2Very high92.4Very high44 Ų4454.6 Ų54.629%0.28628%0.283SS..THydrogen-bonded Turntrans-55.9-28.9176.722.4-33000112.7L259 F277 G281L259-P279 HydrophobicContact CD1-CB 3.89Å; L259-P279 WeakPolarHBondContact CD1-O 3.4Å; F277-P279 HydrophobicContact CE1-CB 4.35Å; F277-P279 HydrophobicContact CZ-CB 4.16Å; P279-G281 VanDerWaalsContact C-N 3.33Å
280Y94.9Very high92.8Very high53 Ų5354.5 Ų54.521%0.20828%0.282CS..THydrogen-bonded Turntrans-86.7-1.6176.3-63.1-90.2000114.1L223 K257 V258 L259 D278L223-Y280 HydrophobicContact CD1-CD1 4.04Å; L223-Y280 HydrophobicContact CD1-CE1 3.34Å; L223-Y280 HydrophobicContact CD1-CE2 4.39Å; L223-Y280 HydrophobicContact CG-CD1 4.38Å; L223-Y280 HydrophobicContact CG-CE1 3.77Å; K257-Y280 HydrophobicContact CB-CD1 4.16Å; K257-Y280 HydrophobicContact CB-CG 4.27Å; V258-Y280 CarbonylContact O-C 3.59Å; V258-Y280 WeakPolarHBondContact O-CA 3.49Å; V258-Y280 VanDerWaalsContact O-O 3.06Å; L259-Y280 HydrophobicContact CB-CD1 3.68Å; L259-Y280 HydrophobicContact CB-CE1 3.61Å; L259-Y280 HydrophobicContact CB-CG 4.42Å; L259-Y280 HydrophobicContact CD2-CE1 4.46Å; D278-Y280 PolarHBondContact O-N 3.46Å; D278-Y280 VanDerWaalsContact O-N 3.15Å; D278-Y280 WeakPolarHBondContact OD1-CB 3.39Å; D278-Y280 PolarHBondContact OD1-N 2.9Å
281G93Very high93Very high3 Ų357.8 Ų57.83%0.03130%0.299CS..  trans65.3-155.4-179.800000113.8F271 D278 P279F271-G281 CarbonylContact O-C 3.45Å; F271-G281 VanDerWaalsContact O-CA 3.24Å; F271-G281 WeakPolarHBondContact O-CA 3.02Å; D278-G281 PolarHBondContact O-N 3.31Å; P279-G281 VanDerWaalsContact C-N 3.33Å
282Q94.3Very high93.2Very high81 Ų8160.7 Ų60.738%0.37932%0.32SS..SBendtrans-71.4128176-174.9175.7-10.400110.5F271F271-Q282 PolarHBondContact O-N 3.38Å
283P95.7Very high93.3Very high43 Ų4360.6 Ų60.628%0.27932%0.317SS..  trans-62.8142.3174.1-19.231.2000111.9Q255 K257Q255-P283 HydrophobicContact CG-CB 3.64Å; Q255-P283 VanDerWaalsContact NE2-CB 3.32Å; K257-P283 HydrophobicContact CG-CB 4.16Å; K257-P283 HydrophobicContact CG-CG 4.34Å
284I96.9Very high93.5Very high12 Ų1256.4 Ų56.46%0.06229%0.291CS..EExtended strand (participates in β ladder)trans-103.1114.9177.8-54.996.5000108.3C194 L196 Q255 L256 V258 F271C194-I284 HydrophobicContact CB-CD1 4.25Å; C194-I284 HydrophobicContact CB-CG1 4.07Å; L196-I284 HydrophobicContact CG-CG2 4.04Å; Q255-I284 CarbonylContact C-O 3.25Å; Q255-I284 WeakPolarHBondContact CA-O 3.34Å; L256-I284 HydrophobicContact CB-CB 4.43Å; L256-I284 PolarHBondContact N-O 2.88Å; L256-I284 PolarHBondContact O-N 2.98Å; V258-I284 HydrophobicContact CG2-CD1 4.09Å; F271-I284 HydrophobicContact CD1-CD1 3.84Å; F271-I284 HydrophobicContact CD1-CG1 3.98Å; F271-I284 HydrophobicContact CE1-CD1 4.09Å; F271-I284 HydrophobicContact CE1-CG1 3.69Å
285E96.3Very high93.6Very high88 Ų8860.5 Ų60.541%0.41131%0.31SS..EExtended strand (participates in β ladder)trans-97.1140.9179.2-60.2-171.9174.800110.9W232 Q255W232-E285 HydrophobicContact CZ2-CG 3.98Å; W232-E285 WeakPolarHBondContact CZ2-OE1 3.01Å; W232-E285 PolarHBondContact NE1-OE1 2.87Å; Q255-E285 HydrophobicContact CB-CG 4.3Å; Q255-E285 HydrophobicContact CG-CG 4.16Å; Q255-E285 PolarHBondContact NE2-OE1 3.09Å; Q255-E285 VanDerWaalsContact NE2-OE1 3.1Å
286C96.7Very high94Very high12 Ų1257.4 Ų57.48%0.08130%0.297CS..  trans-76.1136.5170.6-168.10000109.5L196 I254 S288L196-C286 HydrophobicContact CB-CB 3.96Å; L196-C286 HydrophobicContact CD1-CB 3.83Å; I254-C286 HydrophobicContact CB-CB 4.07Å; I254-C286 PolarHBondContact O-N 2.96Å; C286-S288 VanDerWaalsContact C-N 3.29Å; C286-S288 PolarHBondContact O-N 3.29Å
287K94.5Very high94.4Very high209 Ų20955.8 Ų55.891%0.90930%0.298SS*.SBendtrans-72.1-24.2-179.4-66-175.7178.3-176.90113.2
288S95.3Very high94.8Very high31 Ų3161.6 Ų61.622%0.21732%0.324CS..SBendtrans-106.2140.9-179.4-178.80000109.9P200 C286P200-S288 WeakPolarHBondContact CG-O 3.43Å; C286-S288 VanDerWaalsContact C-N 3.29Å; C286-S288 PolarHBondContact O-N 3.29Å
289P97.1Very high94.9Very high54 Ų5461.3 Ų61.335%0.35132%0.321SS..PPolyproline II helixtrans-66164163.532.1-35.3000110.2P200 L252 L291P200-P289 WeakPolarHBondContact CG-O 3.44Å; L252-P289 CarbonylContact O-C 3.56Å; L252-P289 VanDerWaalsContact O-CA 3.26Å; L252-P289 WeakPolarHBondContact O-CA 3.47Å; P289-L291 HydrophobicContact CG-CD2 4.35Å; P289-L291 PolarHBondContact O-N 2.84Å
290V98.4Very high95Very high1 Ų163.2 Ų63.21%0.00633%0.326CS..PPolyproline II helixtrans-64.9126.9172.9-177.50000109.8P200 V202 P245 H249 G251 L252 I254P200-V290 HydrophobicContact CB-CG2 4.25Å; P200-V290 HydrophobicContact CG-CG2 4.42Å; P200-V290 WeakPolarHBondContact O-CA 3.37Å; V202-V290 HydrophobicContact CG2-CG1 4.22Å; P245-V290 HydrophobicContact CB-CG1 3.58Å; P245-V290 HydrophobicContact CB-CG2 4.2Å; P245-V290 HydrophobicContact CG-CG1 4.21Å; P245-V290 HydrophobicContact CG-CG2 4.38Å; H249-V290 HydrophobicContact CB-CB 4.42Å; H249-V290 HydrophobicContact CB-CG1 4.25Å; H249-V290 HydrophobicContact CB-CG2 4.1Å; H249-V290 VanDerWaalsContact O-CB 3.27Å; H249-V290 WeakPolarHBondContact O-CB 3.29Å; G251-V290 PolarHBondContact N-O 2.69Å; L252-V290 PolarHBondContact O-N 3.04Å; I254-V290 HydrophobicContact CD1-CG2 3.77Å; I254-V290 HydrophobicContact CG1-CG2 3.84Å
291L97.9Very high95Very high73 Ų7365.5 Ų65.538%0.38234%0.341SS..BIsolated β-bridgetrans-102.8158.1176.2-52.4-175.7000110.8I199 P200 M201 V202 P289I199-L291 HydrophobicContact CG2-CD1 3.6Å; I199-L291 HydrophobicContact CG2-CG 4.18Å; P200-L291 PolarHBondContact O-N 2.91Å; M201-L291 CarbonylContact C-O 3.48Å; M201-L291 VanDerWaalsContact CA-O 3.24Å; M201-L291 WeakPolarHBondContact CA-O 3.44Å; M201-L291 HydrophobicContact CG-CB 4.25Å; V202-L291 PolarHBondContact N-O 2.85Å; P289-L291 HydrophobicContact CG-CD2 4.35Å; P289-L291 PolarHBondContact O-N 2.84Å
292T97.4Very high95.1Very high91 Ų9169 Ų6956%0.55835%0.353SS*.PPolyproline II helixtrans-64.3138.5162.4-48.20000109
293A94.4Very high95.1Very high20 Ų2066.7 Ų66.717%0.16534%0.341CS..PPolyproline II helixtrans-69.7149.2174.600000111.2M201 V202 R358M201-A293 HydrophobicContact CB-CB 4.19Å; V202-A293 VanDerWaalsContact O-CB 3.3Å; V202-A293 WeakPolarHBondContact O-CB 3.45Å; A293-R358 VanDerWaalsContact CB-NH1 3.32Å
294P94.9Very high95Very high37 Ų3770.7 Ų70.724%0.2436%0.355CS..PPolyproline II helixtrans-59.3146.6172.628.5-37.9000110.8Q296 Y351 L355P294-Q296 HydrophobicContact CG-CG 4.32Å; P294-Q296 PolarHBondContact O-N 3.42Å; P294-Q296 VanDerWaalsContact O-N 3.16Å; P294-Y351 WeakPolarHBondContact CG-OH 3.45Å; P294-L355 HydrophobicContact CG-CD1 3.98Å; P294-L355 HydrophobicContact CG-CD2 3.77Å
295N91.7Very high95Very high126 Ų12677.5 Ų77.567%0.67438%0.379SS*.  trans-65.5115.9172.8-173.32.5000109.6V297N295-V297 WeakPolarHBondContact OD1-CG2 3.21Å; N295-V297 PolarHBondContact OD1-N 3.33Å
296Q92.3Very high94.9Very high35 Ų3573.9 Ų73.916%0.16436%0.363CS..  trans-122.761.4-179-72-169.3-44.500110P294 F298 H299 Q300P294-Q296 HydrophobicContact CG-CG 4.32Å; P294-Q296 PolarHBondContact O-N 3.42Å; P294-Q296 VanDerWaalsContact O-N 3.16Å; Q296-F298 VanDerWaalsContact C-N 3.32Å; Q296-F298 PolarHBondContact O-N 3.19Å; Q296-H299 HydrophobicContact CB-CB 3.98Å; Q296-H299 WeakPolarHBondContact O-CA 3.17Å; Q296-H299 WeakPolarHBondContact O-CB 3.38Å; Q296-H299 PolarHBondContact O-N 3.22Å; Q296-Q300 PolarHBondContact O-N 2.9Å
297V93.5Very high94.7Very high73 Ų7379.1 Ų79.144%0.44239%0.386SS..Hα-helixtrans-47.5-50.4-174.3-177.30000112.5N295 H299 Q300 L301N295-V297 WeakPolarHBondContact OD1-CG2 3.21Å; N295-V297 PolarHBondContact OD1-N 3.33Å; V297-H299 VanDerWaalsContact C-N 3.26Å; V297-H299 PolarHBondContact O-N 2.94Å; V297-Q300 PolarHBondContact O-N 2.99Å; V297-L301 HydrophobicContact CG1-CD1 4.14Å; V297-L301 HydrophobicContact CG1-CG 4.43Å; V297-L301 WeakPolarHBondContact O-CG 3.49Å; V297-L301 PolarHBondContact O-N 2.8Å
298F93.4Very high94.8Very high159 Ų15975.3 Ų75.370%0.69738%0.376SS*.Hα-helixtrans-62.6-29.9-179.8-61.3-63.7000114Q296 R302Q296-F298 VanDerWaalsContact C-N 3.32Å; Q296-F298 PolarHBondContact O-N 3.19Å; F298-R302 PolarHBondContact O-N 2.85Å; F298-R302 PolarHBondContact O-NE 3.35Å; F298-R302 VanDerWaalsContact O-NE 3.14Å
299H93.5Very high94.7Very high42 Ų4277.1 Ų77.119%0.19438%0.383CS..Hα-helixtrans-78.2-44177.4-58.174.6000109.9Q296 V297 L301 R302 Y303 E359Q296-H299 HydrophobicContact CB-CB 3.98Å; Q296-H299 WeakPolarHBondContact O-CA 3.17Å; Q296-H299 WeakPolarHBondContact O-CB 3.38Å; Q296-H299 PolarHBondContact O-N 3.22Å; V297-H299 VanDerWaalsContact C-N 3.26Å; V297-H299 PolarHBondContact O-N 2.94Å; H299-L301 VanDerWaalsContact C-N 3.3Å; H299-L301 PolarHBondContact O-N 3.36Å; H299-R302 PolarHBondContact CD2-NH2 3.07Å; H299-R302 PolarHBondContact CE1-NH2 2.75Å; H299-R302 VanDerWaalsContact CG-NH2 3.27Å; H299-R302 PolarHBondContact NE2-NH2 3.42Å; H299-R302 WeakPolarHBondContact O-CB 3.36Å; H299-R302 PolarHBondContact O-N 2.97Å; H299-R302 VanDerWaalsContact O-N 3.08Å; H299-Y303 HydrophobicContact CB-CE1 4.17Å; H299-Y303 HydrophobicContact CB-CE2 4.16Å; H299-Y303 WeakPolarHBondContact O-CD1 3.45Å; H299-Y303 WeakPolarHBondContact O-CD2 3.39Å; H299-Y303 WeakPolarHBondContact O-CE1 3.22Å; H299-Y303 PolarHBondContact O-N 2.63Å; H299-E359 IonicContact CD2-OE1 3.86Å; H299-E359 PolarHBondContact CD2-OE1 3.02Å; H299-E359 IonicContact CD2-OE2 3.62Å; H299-E359 IonicContact NE2-OE1 2.85Å; H299-E359 IonicContact NE2-OE2 3.63Å
300Q93Very high94.3Very high84 Ų8482.1 Ų82.139%0.39340%0.399SS..Hα-helixtrans-59.3-40.3176.1-67.9176-7.200112.3Q296 V297 Y303 K304Q296-Q300 PolarHBondContact O-N 2.9Å; V297-Q300 PolarHBondContact O-N 2.99Å; Q300-Y303 PolarHBondContact O-N 2.98Å; Q300-K304 WeakPolarHBondContact O-CG 3.48Å; Q300-K304 PolarHBondContact O-N 2.93Å
301L95.6Very high94Very high101 Ų10186 Ų8653%0.52942%0.42SS..Hα-helixtrans-62.2-42.9173.7-71.4175000111.8V297 H299 Y303 K304 W305V297-L301 HydrophobicContact CG1-CD1 4.14Å; V297-L301 HydrophobicContact CG1-CG 4.43Å; V297-L301 WeakPolarHBondContact O-CG 3.49Å; V297-L301 PolarHBondContact O-N 2.8Å; H299-L301 VanDerWaalsContact C-N 3.3Å; H299-L301 PolarHBondContact O-N 3.36Å; L301-Y303 VanDerWaalsContact C-N 3.35Å; L301-Y303 PolarHBondContact O-N 3.03Å; L301-K304 PolarHBondContact O-N 3.46Å; L301-W305 WeakPolarHBondContact O-CB 3.17Å; L301-W305 PolarHBondContact O-N 3.12Å
302R94.5Very high93.5Very high77 Ų7786.7 Ų86.729%0.29142%0.424SS..Hα-helixtrans-62-41.3174.4-80.4179.5-80.4158.40.5111.9F298 H299 W305 I306 Y321 E359 Y363F298-R302 PolarHBondContact O-N 2.85Å; F298-R302 PolarHBondContact O-NE 3.35Å; F298-R302 VanDerWaalsContact O-NE 3.14Å; H299-R302 PolarHBondContact CD2-NH2 3.07Å; H299-R302 PolarHBondContact CE1-NH2 2.75Å; H299-R302 VanDerWaalsContact CG-NH2 3.27Å; H299-R302 PolarHBondContact NE2-NH2 3.42Å; H299-R302 WeakPolarHBondContact O-CB 3.36Å; H299-R302 PolarHBondContact O-N 2.97Å; H299-R302 VanDerWaalsContact O-N 3.08Å; R302-W305 PolarHBondContact O-N 3.17Å; R302-I306 WeakPolarHBondContact O-CB 3.24Å; R302-I306 WeakPolarHBondContact O-CG1 3.36Å; R302-I306 PolarHBondContact O-N 3.04Å; R302-Y321 PolarHBondContact NH1-OH 3.27Å; R302-E359 IonicContact CZ-OE1 2.72Å; R302-E359 IonicContact NH1-OE1 3.72Å; R302-E359 PolarHBondContact NH1-OE1 2.53Å; R302-E359 IonicContact NH2-OE1 3.72Å; R302-Y363 HydrophobicContact CB-CE1 4.37Å; R302-Y363 PolarHBondContact NH1-OH 3.18Å
303Y93.6Very high92.9Very high32 Ų3286.7 Ų86.713%0.12543%0.428CS..Hα-helixtrans-61.9-47.7177.9-53.9-20.5000111.3H299 Q300 L301 W305 I306 E307 R358 E359 Y363H299-Y303 HydrophobicContact CB-CE1 4.17Å; H299-Y303 HydrophobicContact CB-CE2 4.16Å; H299-Y303 WeakPolarHBondContact O-CD1 3.45Å; H299-Y303 WeakPolarHBondContact O-CD2 3.39Å; H299-Y303 WeakPolarHBondContact O-CE1 3.22Å; H299-Y303 PolarHBondContact O-N 2.63Å; Q300-Y303 PolarHBondContact O-N 2.98Å; L301-Y303 VanDerWaalsContact C-N 3.35Å; L301-Y303 PolarHBondContact O-N 3.03Å; Y303-W305 PolarHBondContact O-N 3.46Å; Y303-I306 PolarHBondContact O-N 2.9Å; Y303-E307 PolarHBondContact O-N 3.36Å; Y303-R358 HydrophobicContact CE2-CG 4.4Å; Y303-E359 HydrophobicContact CE1-CB 4.44Å; Y303-E359 HydrophobicContact CE1-CG 4.34Å; Y303-E359 VanDerWaalsContact OH-CA 3.28Å; Y303-E359 WeakPolarHBondContact OH-CA 3.38Å; Y303-E359 WeakPolarHBondContact OH-CB 3.38Å; Y303-Y363 HydrophobicContact CD1-CD1 4.41Å; Y303-Y363 HydrophobicContact CD1-CE1 4.08Å; Y303-Y363 HydrophobicContact CE1-CD1 4.46Å; Y303-Y363 AromaticContact CE1-CE1 3.93Å; Y303-Y363 HydrophobicContact CE1-CE1 3.93Å
304K95Very high92.5Very high128 Ų12893.8 Ų93.856%0.55746%0.457SS*.Hα-helixtrans-60.9-43.8175.7-71.5178.7179-1770111.9Q300 L301 I306 E307 N308Q300-K304 WeakPolarHBondContact O-CG 3.48Å; Q300-K304 PolarHBondContact O-N 2.93Å; L301-K304 PolarHBondContact O-N 3.46Å; K304-I306 VanDerWaalsContact C-N 3.31Å; K304-I306 PolarHBondContact O-N 2.8Å; K304-E307 PolarHBondContact O-N 3.21Å; K304-N308 WeakPolarHBondContact O-CB 3.15Å; K304-N308 VanDerWaalsContact O-CG 3.23Å; K304-N308 PolarHBondContact O-N 2.93Å; K304-N308 PolarHBondContact O-ND2 2.96Å
305W95.6Very high92.3Very high154 Ų15496.6 Ų96.658%0.58347%0.467SS*.Hα-helixtrans-60-43.9176.9-179.186.1000111.2L301 R302 Y303 N308 N309L301-W305 WeakPolarHBondContact O-CB 3.17Å; L301-W305 PolarHBondContact O-N 3.12Å; R302-W305 PolarHBondContact O-N 3.17Å; Y303-W305 PolarHBondContact O-N 3.46Å; W305-N308 PolarHBondContact O-N 2.94Å; W305-N309 HydrophobicContact CH2-CB 4.47Å; W305-N309 HydrophobicContact CZ2-CB 4.24Å; W305-N309 PolarHBondContact NE1-ND2 2.79Å; W305-N309 WeakPolarHBondContact O-CB 3.35Å; W305-N309 PolarHBondContact O-N 2.96Å; W305-N309 PolarHBondContact O-ND2 2.83Å
306I94.4Very high92.3Very high12 Ų1294.4 Ų94.46%0.06246%0.455CS..Hα-helixtrans-62.9-44.3177.5-78.5171.9000112.1R302 Y303 K304 N308 N309 S362 Y363 Q364R302-I306 WeakPolarHBondContact O-CB 3.24Å; R302-I306 WeakPolarHBondContact O-CG1 3.36Å; R302-I306 PolarHBondContact O-N 3.04Å; Y303-I306 PolarHBondContact O-N 2.9Å; K304-I306 VanDerWaalsContact C-N 3.31Å; K304-I306 PolarHBondContact O-N 2.8Å; I306-N308 VanDerWaalsContact C-N 3.28Å; I306-N308 PolarHBondContact O-N 3.13Å; I306-N309 CarbonylContact O-C 3.38Å; I306-N309 PolarHBondContact O-N 3.2Å; I306-S362 VanDerWaalsContact CG2-O 3.28Å; I306-S362 WeakPolarHBondContact CG2-O 3.12Å; I306-Y363 HydrophobicContact CD1-CD1 3.24Å; I306-Y363 HydrophobicContact CD1-CE1 3.83Å; I306-Y363 HydrophobicContact CD1-CG 4.08Å; I306-Q364 HydrophobicContact CG2-CB 4.18Å; I306-Q364 HydrophobicContact CG2-CG 3.98Å
307E93.3Very high92.3Very high122 Ų12293.9 Ų93.957%0.5745%0.451SS*.Hα-helixtrans-62.4-37.3178.2-175171.3-161.200112.2Y303 K304Y303-E307 PolarHBondContact O-N 3.36Å; K304-E307 PolarHBondContact O-N 3.21Å
308N95.5Very high92.4Very high130 Ų13093 Ų9370%0.69545%0.446SS*.Hα-helixtrans-79.6-19.3178-67.7-17.1000113.7K304 W305 I306K304-N308 WeakPolarHBondContact O-CB 3.15Å; K304-N308 VanDerWaalsContact O-CG 3.23Å; K304-N308 PolarHBondContact O-N 2.93Å; K304-N308 PolarHBondContact O-ND2 2.96Å; W305-N308 PolarHBondContact O-N 2.94Å; I306-N308 VanDerWaalsContact C-N 3.28Å; I306-N308 PolarHBondContact O-N 3.13Å
309N93.5Very high92.4Very high69 Ų6986 Ų8637%0.36942%0.416SS..SBendtrans-118.363.9-178.2-66.4-89.6000110W305 I306 R317W305-N309 HydrophobicContact CH2-CB 4.47Å; W305-N309 HydrophobicContact CZ2-CB 4.24Å; W305-N309 PolarHBondContact NE1-ND2 2.79Å; W305-N309 WeakPolarHBondContact O-CB 3.35Å; W305-N309 PolarHBondContact O-N 2.96Å; W305-N309 PolarHBondContact O-ND2 2.83Å; I306-N309 CarbonylContact O-C 3.38Å; I306-N309 PolarHBondContact O-N 3.2Å; N309-R317 PolarHBondContact O-NH2 3.33Å
310K89.9Confident92.5Very high158 Ų15886 Ų8669%0.68742%0.421SS*.  trans-66.5133.3173-65.7-176.4-176.61760109.4
311L90.5Very high92.5Very high83 Ų8385.4 Ų85.444%0.43542%0.416SS..  trans-92.8145.9178-67.9174.2000110H315 R317L311-H315 HydrophobicContact CB-CB 4.01Å; L311-H315 HydrophobicContact CD1-CB 4.14Å; L311-H315 HydrophobicContact CD2-CB 3.91Å; L311-H315 HydrophobicContact CG-CB 4.23Å; L311-R317 HydrophobicContact CD1-CB 3.85Å
312D88.7Confident92.5Very high87 Ų8782.6 Ų82.647%0.46540%0.401SS..  trans-78.9-178.1169.965.926.1000111.3Q314 H315D312-Q314 PolarHBondContact O-N 3.14Å; D312-Q314 WeakPolarHBondContact OD1-CA 3.29Å; D312-Q314 WeakPolarHBondContact OD1-CB 3.42Å; D312-Q314 PolarHBondContact OD1-N 2.94Å; D312-H315 PolarHBondContact O-N 3.27Å; D312-H315 IonicContact OD1-CE1 2.85Å; D312-H315 IonicContact OD1-CG 3.08Å; D312-H315 PolarHBondContact OD1-N 3.22Å; D312-H315 IonicContact OD1-ND1 2.73Å; D312-H315 PolarHBondContact OD1-ND1 2.75Å; D312-H315 IonicContact OD2-CE1 3.38Å; D312-H315 IonicContact OD2-ND1 3.27Å
313S84.2Confident92.6Very high92 Ų9279.9 Ų79.964%0.64339%0.392SS*.THydrogen-bonded Turntrans-72.4-8.8179.362.80000114.4R432S313-R432 PolarHBondContact O-NH2 3.16Å
314Q86.2Confident92.6Very high169 Ų16980.8 Ų80.879%0.7940%0.399SS*.THydrogen-bonded Turntrans-85.5-18.8177.4-58.4-168.27.500112.1D312D312-Q314 PolarHBondContact O-N 3.14Å; D312-Q314 WeakPolarHBondContact OD1-CA 3.29Å; D312-Q314 WeakPolarHBondContact OD1-CB 3.42Å; D312-Q314 PolarHBondContact OD1-N 2.94Å
315H90.8Very high92.6Very high96 Ų9674.7 Ų74.744%0.44437%0.372SS..  trans-98.2152.2179.8-63.381.3000111.4L311 D312 R432L311-H315 HydrophobicContact CB-CB 4.01Å; L311-H315 HydrophobicContact CD1-CB 4.14Å; L311-H315 HydrophobicContact CD2-CB 3.91Å; L311-H315 HydrophobicContact CG-CB 4.23Å; D312-H315 PolarHBondContact O-N 3.27Å; D312-H315 IonicContact OD1-CE1 2.85Å; D312-H315 IonicContact OD1-CG 3.08Å; D312-H315 PolarHBondContact OD1-N 3.22Å; D312-H315 IonicContact OD1-ND1 2.73Å; D312-H315 PolarHBondContact OD1-ND1 2.75Å; D312-H315 IonicContact OD2-CE1 3.38Å; D312-H315 IonicContact OD2-ND1 3.27Å; H315-R432 PolarHBondContact O-NH1 3.22Å; H315-R432 PolarHBondContact O-NH2 3.06Å
316L90.4Very high92.6Very high79 Ų7967.8 Ų67.841%0.41435%0.346SS..  trans-115.2131.5173.3-68.5170.5000109.3D366 F433 L509L316-D366 WeakPolarHBondContact CA-OD2 3.26Å; L316-D366 HydrophobicContact CD2-CB 4.4Å; L316-F433 HydrophobicContact CD2-CE2 4.18Å; L316-F433 HydrophobicContact CD2-CZ 3.65Å; L316-L509 HydrophobicContact CD1-CD2 4.34Å
317R93.7Very high92.4Very high25 Ų2570.2 Ų70.29%0.09436%0.358CS..  trans-106.4117.7168.8-173.1174.5-64.5-1801.4110.8N309 L311 Y363 D366 F367N309-R317 PolarHBondContact O-NH2 3.33Å; L311-R317 HydrophobicContact CD1-CB 3.85Å; R317-Y363 WeakPolarHBondContact CD-O 3.46Å; R317-Y363 PolarHBondContact NH1-O 3.21Å; R317-D366 PolarHBondContact N-OD2 2.95Å; R317-D366 PolarHBondContact O-N 3.46Å; R317-F367 PolarHBondContact O-N 3.2Å
318V94.4Very high92.3Very high53 Ų5367.1 Ų67.132%0.32134%0.342SS..EExtended strand (participates in β ladder)trans-115.3127.8-179.5-175.60000108.4F367 L555 V557V318-F367 HydrophobicContact CG1-CB 4.33Å; V318-F367 HydrophobicContact CG2-CB 4.48Å; V318-L555 HydrophobicContact CB-CD2 4.35Å; V318-L555 HydrophobicContact CG1-CD2 4.03Å; V318-L555 HydrophobicContact CG2-CD2 3.52Å; V318-V557 HydrophobicContact CG1-CG2 3.77Å
319V94.7Very high92Very high13 Ų1361 Ų618%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-107.7134.7176165.30000108.5Y321 L360 Y363 F367 I368 C369V319-Y321 HydrophobicContact CG1-CD2 3.5Å; V319-Y321 HydrophobicContact CG1-CE2 3.64Å; V319-L360 HydrophobicContact CG1-CD2 4.16Å; V319-Y363 HydrophobicContact CB-CD2 4.49Å; V319-Y363 HydrophobicContact CG1-CD2 3.88Å; V319-Y363 HydrophobicContact CG1-CE2 4.37Å; V319-Y363 HydrophobicContact CG2-CD2 3.75Å; V319-Y363 HydrophobicContact CG2-CG 4.07Å; V319-F367 PolarHBondContact N-O 3.48Å; V319-I368 HydrophobicContact CB-CG1 4.17Å; V319-I368 HydrophobicContact CB-CG2 4.47Å; V319-I368 HydrophobicContact CG1-CG1 4.46Å; V319-I368 HydrophobicContact CG1-CG2 4.09Å; V319-I368 CarbonylContact O-C 3.56Å; V319-I368 WeakPolarHBondContact O-CA 3.36Å; V319-C369 PolarHBondContact O-N 2.87Å
320S94.1Very high91.6Very high41 Ų4162.9 Ų62.929%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-132.4126.7173.2-167.80000111C369 Q371 V557S320-C369 VanDerWaalsContact CA-O 3.25Å; S320-C369 WeakPolarHBondContact CA-O 3.31Å; S320-Q371 PolarHBondContact OG-NE2 2.78Å; S320-V557 WeakPolarHBondContact OG-CG1 3.06Å
321Y94.3Very high91.3Very high73 Ų7357.5 Ų57.529%0.28629%0.293SS..EExtended strand (participates in β ladder)trans-145.8137.6175.2-76.1-79.2000112.1R302 V319 E359 Y363 C369 L370 Q371R302-Y321 PolarHBondContact NH1-OH 3.27Å; V319-Y321 HydrophobicContact CG1-CD2 3.5Å; V319-Y321 HydrophobicContact CG1-CE2 3.64Å; Y321-E359 PolarHBondContact OH-OE1 2.95Å; Y321-Y363 HydrophobicContact CD2-CE2 4.31Å; Y321-Y363 HydrophobicContact CE2-CD2 4.16Å; Y321-Y363 AromaticContact CE2-CE2 3.37Å; Y321-Y363 HydrophobicContact CE2-CE2 3.37Å; Y321-Y363 AromaticContact CZ-CE2 3.89Å; Y321-Y363 PolarHBondContact OH-OH 3.48Å; Y321-Y363 VanDerWaalsContact OH-OH 3.08Å; Y321-C369 PolarHBondContact N-O 3.44Å; Y321-L370 CarbonylContact O-C 3.58Å; Y321-L370 VanDerWaalsContact O-CA 3.25Å; Y321-L370 WeakPolarHBondContact O-CA 3.38Å; Y321-Q371 PolarHBondContact O-N 2.91Å; Y321-Q371 PolarHBondContact O-OE1 2.92Å
322N95Very high91.1Very high42 Ų4259.1 Ų59.123%0.22530%0.302CS..EExtended strand (participates in β ladder)trans-79.9123156.8-177.2-27.1000108.1L324 Q371 E372 H515 F559N322-L324 PolarHBondContact OD1-N 2.86Å; N322-Q371 HydrophobicContact CB-CB 4.34Å; N322-Q371 VanDerWaalsContact N-OE1 3.15Å; N322-E372 VanDerWaalsContact ND2-CD 3.25Å; N322-E372 PolarHBondContact ND2-OE1 3.17Å; N322-E372 WeakPolarHBondContact OD1-CB 3.14Å; N322-E372 WeakPolarHBondContact OD1-CG 3.15Å; N322-H515 PolarHBondContact ND2-CE1 2.8Å; N322-F559 HydrophobicContact CB-CD1 4.34Å; N322-F559 HydrophobicContact CB-CE1 4.37Å
323I96Very high90.9Very high20 Ų2061.3 Ų61.310%0.10331%0.308CS..  trans-102.46.2-173.766.5164.9000114.3R352 I356 L370 Q371 V373 L382I323-R352 PolarHBondContact O-NH1 3.29Å; I323-R352 VanDerWaalsContact O-NH1 3.11Å; I323-I356 HydrophobicContact CB-CD1 4.27Å; I323-I356 HydrophobicContact CG2-CG2 4.15Å; I323-L370 HydrophobicContact CD1-CD1 4.39Å; I323-L370 HydrophobicContact CG2-CD1 4.33Å; I323-L370 HydrophobicContact CG2-CD2 3.94Å; I323-Q371 PolarHBondContact N-O 3.41Å; I323-V373 HydrophobicContact CD1-CB 4.31Å; I323-V373 HydrophobicContact CD1-CG1 4.25Å; I323-V373 HydrophobicContact CD1-CG2 3.79Å; I323-V373 HydrophobicContact CG1-CG2 4.01Å; I323-L382 HydrophobicContact CD1-CD1 4.05Å
324L95Very high90.9Very high51 Ų5157 Ų5727%0.26728%0.278SS..  trans54.6101.3-177.4-178.765.4000113.2N322 A329 F339 R352 E372N322-L324 PolarHBondContact OD1-N 2.86Å; L324-A329 HydrophobicContact CD2-CB 4.2Å; L324-A329 HydrophobicContact CG-CB 4.24Å; L324-F339 HydrophobicContact CD1-CZ 4.11Å; L324-F339 HydrophobicContact CD2-CE1 4.27Å; L324-F339 HydrophobicContact CD2-CE2 4.17Å; L324-F339 HydrophobicContact CD2-CZ 3.68Å; L324-R352 PolarHBondContact O-NH1 3.48Å; L324-R352 PolarHBondContact O-NH2 2.96Å; L324-E372 WeakPolarHBondContact CA-OE2 3.3Å
325A95.2Very high90.8Very high0 Ų053.4 Ų53.40%026%0.257CS..  trans-60.6141.5-179.500000110.6M327 Y328 A329 E372 D374 E422A325-M327 HydrophobicContact CB-CG 3.9Å; A325-M327 PolarHBondContact O-N 2.78Å; A325-Y328 HydrophobicContact CB-CD2 3.66Å; A325-Y328 HydrophobicContact CB-CE2 4.09Å; A325-Y328 HydrophobicContact CB-CG 4.37Å; A325-Y328 PolarHBondContact O-N 2.85Å; A325-A329 PolarHBondContact O-N 2.9Å; A325-E372 WeakPolarHBondContact CA-O 3.5Å; A325-E372 HydrophobicContact CB-CB 4.06Å; A325-E372 VanDerWaalsContact CB-O 3.3Å; A325-E372 WeakPolarHBondContact CB-O 3.27Å; A325-E372 PolarHBondContact N-O 3.16Å; A325-E372 PolarHBondContact N-OE2 2.84Å; A325-D374 VanDerWaalsContact CA-OD2 3.29Å; A325-D374 WeakPolarHBondContact CA-OD2 3.26Å; A325-E422 HydrophobicContact CB-CB 3.99Å; A325-E422 HydrophobicContact CB-CG 4.27Å
326E93.7Very high90.5Very high8 Ų851.5 Ų51.54%0.03726%0.258CS..Hα-helixtrans-59-37.1177.6-171.276.1148.400111.6Y328 A329 R330 S349 R352 D374 W376E326-Y328 PolarHBondContact O-N 2.87Å; E326-A329 PolarHBondContact O-N 2.98Å; E326-R330 HydrophobicContact CG-CG 4.17Å; E326-R330 WeakPolarHBondContact O-CB 3.17Å; E326-R330 PolarHBondContact O-N 2.77Å; E326-R330 IonicContact OE1-CZ 3Å; E326-R330 IonicContact OE1-NE 2.64Å; E326-R330 PolarHBondContact OE1-NE 3.19Å; E326-R330 VanDerWaalsContact OE1-NE 3.08Å; E326-R330 IonicContact OE1-NH1 2.76Å; E326-R330 PolarHBondContact OE1-NH1 3.16Å; E326-R330 IonicContact OE1-NH2 3.92Å; E326-R330 PolarHBondContact OE1-NH2 3.47Å; E326-S349 WeakPolarHBondContact OE1-CB 3.35Å; E326-S349 PolarHBondContact OE1-N 3.47Å; E326-S349 PolarHBondContact OE1-OG 2.85Å; E326-S349 WeakPolarHBondContact OE2-CB 3.41Å; E326-S349 PolarHBondContact OE2-N 2.87Å; E326-S349 VanDerWaalsContact OE2-N 3.07Å; E326-R352 IonicContact OE2-CZ 3.03Å; E326-R352 IonicContact OE2-NH2 3.36Å; E326-R352 PolarHBondContact OE2-NH2 3.34Å; E326-D374 PolarHBondContact N-OD2 2.83Å; E326-W376 HydrophobicContact CB-CZ2 3.96Å; E326-W376 HydrophobicContact CG-CZ2 4.13Å
327M91.1Very high90.5Very high64 Ų6453.3 Ų53.332%0.31526%0.264SS..Hα-helixtrans-59.8-29.8175.766.3170.863.600113.6A325 D374 E422A325-M327 HydrophobicContact CB-CG 3.9Å; A325-M327 PolarHBondContact O-N 2.78Å; M327-D374 PolarHBondContact N-OD1 3.47Å; M327-E422 HydrophobicContact CE-CB 3.81Å; M327-E422 HydrophobicContact CE-CG 4.04Å; M327-E422 HydrophobicContact CG-CG 4.29Å; M327-E422 HydrophobicContact SD-CB 3.88Å; M327-E422 HydrophobicContact SD-CG 3.45Å; M327-E422 WeakPolarHBondContact SD-CG 3.31Å
328Y91Very high90.2Very high57 Ų5756.2 Ų56.222%0.22428%0.281CS..Hα-helixtrans-83.9-43.5176-61.6-40.7000110.9A325 E326 R330 S331 A334 E372 K420 E422A325-Y328 HydrophobicContact CB-CD2 3.66Å; A325-Y328 HydrophobicContact CB-CE2 4.09Å; A325-Y328 HydrophobicContact CB-CG 4.37Å; A325-Y328 PolarHBondContact O-N 2.85Å; E326-Y328 PolarHBondContact O-N 2.87Å; Y328-R330 VanDerWaalsContact C-N 3.32Å; Y328-R330 PolarHBondContact O-N 3.42Å; Y328-S331 PolarHBondContact O-N 3.02Å; Y328-S331 PolarHBondContact O-OG 3.33Å; Y328-A334 WeakPolarHBondContact O-CB 3.31Å; Y328-E372 HydrophobicContact CD2-CG 4.35Å; Y328-E372 WeakPolarHBondContact CD2-OE2 3.25Å; Y328-E372 HydrophobicContact CE2-CG 4.22Å; Y328-K420 VanDerWaalsContact OH-CE 3.31Å; Y328-K420 WeakPolarHBondContact OH-CE 3.44Å; Y328-K420 PolarHBondContact OH-NZ 2.84Å; Y328-E422 HydrophobicContact CE2-CG 3.72Å; Y328-E422 VanDerWaalsContact OH-CD 3.28Å; Y328-E422 PolarHBondContact OH-OE1 2.95Å
329A89.5Confident90Very high0 Ų055.9 Ų55.90%028%0.275CS..Hα-helixtrans-58.8-39.5178.500000113.2L324 A325 E326 I347L324-A329 HydrophobicContact CD2-CB 4.2Å; L324-A329 HydrophobicContact CG-CB 4.24Å; A325-A329 PolarHBondContact O-N 2.9Å; E326-A329 PolarHBondContact O-N 2.98Å; A329-I347 HydrophobicContact CB-CG2 3.84Å
330R84.1Confident89.8Confident109 Ų10963 Ų6341%0.41131%0.305SS..THydrogen-bonded Turntrans-92.9-2.6-174-75.2-166.5167.3143.76.1116E326 Y328 R335 S348E326-R330 HydrophobicContact CG-CG 4.17Å; E326-R330 WeakPolarHBondContact O-CB 3.17Å; E326-R330 PolarHBondContact O-N 2.77Å; E326-R330 IonicContact OE1-CZ 3Å; E326-R330 IonicContact OE1-NE 2.64Å; E326-R330 PolarHBondContact OE1-NE 3.19Å; E326-R330 VanDerWaalsContact OE1-NE 3.08Å; E326-R330 IonicContact OE1-NH1 2.76Å; E326-R330 PolarHBondContact OE1-NH1 3.16Å; E326-R330 IonicContact OE1-NH2 3.92Å; E326-R330 PolarHBondContact OE1-NH2 3.47Å; Y328-R330 VanDerWaalsContact C-N 3.32Å; Y328-R330 PolarHBondContact O-N 3.42Å; R330-R335 PolarHBondContact O-NH2 3.27Å; R330-S348 PolarHBondContact NH2-OG 2.6Å
331S85.1Confident89.7Confident46 Ų4668.4 Ų68.432%0.32233%0.325SS..SBendtrans-59.8145.1176.9700000110.9Y328 F333 A334 R335Y328-S331 PolarHBondContact O-N 3.02Å; Y328-S331 PolarHBondContact O-OG 3.33Å; S331-F333 PolarHBondContact O-N 3.08Å; S331-A334 PolarHBondContact O-N 2.85Å; S331-A334 WeakPolarHBondContact OG-CB 3Å; S331-A334 PolarHBondContact OG-N 3.2Å; S331-A334 VanDerWaalsContact OG-N 3.11Å; S331-R335 PolarHBondContact O-N 3.43Å
332D84.7Confident89.6Confident116 Ų11667 Ų6762%0.6233%0.325SS*.Hα-helixtrans-58.3-39.7179.8-69.9-37.8000111.6R335 A336D332-R335 PolarHBondContact O-N 3.47Å; D332-R335 IonicContact OD1-CZ 3.75Å; D332-R335 VanDerWaalsContact OD1-CZ 3.27Å; D332-R335 IonicContact OD1-NH1 3.49Å; D332-R335 PolarHBondContact OD1-NH1 3.38Å; D332-R335 IonicContact OD1-NH2 2.98Å; D332-R335 PolarHBondContact OD1-NH2 3.21Å; D332-A336 WeakPolarHBondContact O-CB 3.21Å; D332-A336 PolarHBondContact O-N 3.49Å
333F85.6Confident89.5Confident134 Ų13469.1 Ų69.159%0.58834%0.341SS*.Hα-helixtrans-60.2-47.7174-177.7-96.9000111.9S331 R335 A336 H337 I338S331-F333 PolarHBondContact O-N 3.08Å; F333-R335 PolarHBondContact O-N 3.28Å; F333-A336 PolarHBondContact O-N 3.48Å; F333-H337 AromaticContact CD2-ND1 3.58Å; F333-H337 HydrophobicContact CE2-CB 4.21Å; F333-H337 AromaticContact CE2-ND1 3.87Å; F333-H337 HydrophobicContact CZ-CB 4.25Å; F333-H337 WeakPolarHBondContact O-CB 3.49Å; F333-H337 PolarHBondContact O-N 2.92Å; F333-H337 PolarHBondContact O-ND1 2.86Å; F333-I338 HydrophobicContact CD1-CD1 3.93Å; F333-I338 HydrophobicContact CD1-CG1 4.15Å; F333-I338 HydrophobicContact CE1-CD1 3.87Å; F333-I338 HydrophobicContact CE1-CG1 3.89Å
334A84.7Confident89.3Confident1 Ų171.9 Ų71.91%0.00835%0.354CS..Iπ-helixtrans-63-45179.900000112Y328 S331 I338 F339Y328-A334 WeakPolarHBondContact O-CB 3.31Å; S331-A334 PolarHBondContact O-N 2.85Å; S331-A334 WeakPolarHBondContact OG-CB 3Å; S331-A334 PolarHBondContact OG-N 3.2Å; S331-A334 VanDerWaalsContact OG-N 3.11Å; A334-I338 HydrophobicContact CB-CB 4.38Å; A334-I338 HydrophobicContact CB-CD1 4.04Å; A334-I338 HydrophobicContact CB-CG1 4.46Å; A334-I338 CarbonylContact O-C 3.41Å; A334-I338 WeakPolarHBondContact O-CA 3.04Å; A334-I338 WeakPolarHBondContact O-CB 3.16Å; A334-I338 PolarHBondContact O-N 3.02Å; A334-F339 HydrophobicContact CB-CD2 3.85Å; A334-F339 HydrophobicContact CB-CE2 3.88Å; A334-F339 PolarHBondContact O-N 3.41Å
335R83.7Confident89.1Confident93 Ų9372.7 Ų72.735%0.35137%0.368SS..Iπ-helixtrans-64.6-42.5179.5-159.8-170.2-37.4101.511.3112.5R330 S331 D332 F333 K340 E344R330-R335 PolarHBondContact O-NH2 3.27Å; S331-R335 PolarHBondContact O-N 3.43Å; D332-R335 PolarHBondContact O-N 3.47Å; D332-R335 IonicContact OD1-CZ 3.75Å; D332-R335 VanDerWaalsContact OD1-CZ 3.27Å; D332-R335 IonicContact OD1-NH1 3.49Å; D332-R335 PolarHBondContact OD1-NH1 3.38Å; D332-R335 IonicContact OD1-NH2 2.98Å; D332-R335 PolarHBondContact OD1-NH2 3.21Å; F333-R335 PolarHBondContact O-N 3.28Å; R335-K340 WeakPolarHBondContact O-CA 3.29Å; R335-K340 PolarHBondContact O-N 2.94Å; R335-E344 WeakPolarHBondContact CD-OE2 3.33Å; R335-E344 VanDerWaalsContact CG-OE2 3.24Å; R335-E344 WeakPolarHBondContact CG-OE2 3.47Å; R335-E344 IonicContact NE-OE2 2.64Å
336A85.5Confident89Confident56 Ų5674.7 Ų74.746%0.46338%0.381SS..Iπ-helixtrans-79.3-29.5-176.400000113.6D332 F333 K340D332-A336 WeakPolarHBondContact O-CB 3.21Å; D332-A336 PolarHBondContact O-N 3.49Å; F333-A336 PolarHBondContact O-N 3.48Å; A336-K340 WeakPolarHBondContact O-CB 3.31Å
337H88.5Confident89Confident118 Ų11874.7 Ų74.755%0.54638%0.381SS..Iπ-helixtrans-123-44-169.8-55.591000114F333F333-H337 AromaticContact CD2-ND1 3.58Å; F333-H337 HydrophobicContact CE2-CB 4.21Å; F333-H337 AromaticContact CE2-ND1 3.87Å; F333-H337 HydrophobicContact CZ-CB 4.25Å; F333-H337 WeakPolarHBondContact O-CB 3.49Å; F333-H337 PolarHBondContact O-N 2.92Å; F333-H337 PolarHBondContact O-ND1 2.86Å
338I88.6Confident89.1Confident86 Ų8672.5 Ų72.544%0.44137%0.373SS..Iπ-helixtrans-82.3-50.2-174.1-54.3178.4000110.9F333 A334 H341F333-I338 HydrophobicContact CD1-CD1 3.93Å; F333-I338 HydrophobicContact CD1-CG1 4.15Å; F333-I338 HydrophobicContact CE1-CD1 3.87Å; F333-I338 HydrophobicContact CE1-CG1 3.89Å; A334-I338 HydrophobicContact CB-CB 4.38Å; A334-I338 HydrophobicContact CB-CD1 4.04Å; A334-I338 HydrophobicContact CB-CG1 4.46Å; A334-I338 CarbonylContact O-C 3.41Å; A334-I338 WeakPolarHBondContact O-CA 3.04Å; A334-I338 WeakPolarHBondContact O-CB 3.16Å; A334-I338 PolarHBondContact O-N 3.02Å; I338-H341 PolarHBondContact O-CE1 2.87Å
339F90.5Very high89.2Confident45 Ų4570.5 Ų70.520%0.19737%0.367CS..SBendtrans-11019.8-172.9-53.3-56.8000113L324 A334 H341 C342 I347L324-F339 HydrophobicContact CD1-CZ 4.11Å; L324-F339 HydrophobicContact CD2-CE1 4.27Å; L324-F339 HydrophobicContact CD2-CE2 4.17Å; L324-F339 HydrophobicContact CD2-CZ 3.68Å; A334-F339 HydrophobicContact CB-CD2 3.85Å; A334-F339 HydrophobicContact CB-CE2 3.88Å; A334-F339 PolarHBondContact O-N 3.41Å; F339-H341 PolarHBondContact O-N 2.85Å; F339-C342 HydrophobicContact CB-CB 4.44Å; F339-C342 WeakPolarHBondContact O-CB 3.33Å; F339-C342 PolarHBondContact O-N 2.73Å; F339-I347 HydrophobicContact CB-CD1 3.58Å; F339-I347 HydrophobicContact CB-CG1 4.26Å; F339-I347 HydrophobicContact CG-CD1 4.47Å
340K89.9Confident89.5Confident164 Ų16471.6 Ų71.671%0.71338%0.376SS*.THydrogen-bonded Turntrans-53.8-23.2-17868.9178.7-179179.10115.1R335 A336R335-K340 WeakPolarHBondContact O-CA 3.29Å; R335-K340 PolarHBondContact O-N 2.94Å; A336-K340 WeakPolarHBondContact O-CB 3.31Å
341H92.9Very high90.1Very high154 Ų15468.8 Ų68.871%0.71337%0.366SS*.THydrogen-bonded Turntrans-86.4-13.7179.560.5-86000113.1I338 F339I338-H341 PolarHBondContact O-CE1 2.87Å; F339-H341 PolarHBondContact O-N 2.85Å
342C92.3Very high90.6Very high43 Ų4368.5 Ų68.529%0.29136%0.358SS..SBendtrans-100.7129.8-177-172.30000109.9F339 E344 I347F339-C342 HydrophobicContact CB-CB 4.44Å; F339-C342 WeakPolarHBondContact O-CB 3.33Å; F339-C342 PolarHBondContact O-N 2.73Å; C342-E344 PolarHBondContact O-N 2.88Å; C342-I347 HydrophobicContact CB-CD1 4.15Å; C342-I347 HydrophobicContact CB-CG1 3.95Å
343P92.5Very high91.2Very high86 Ų8663.3 Ų63.356%0.55833%0.33SS*.  trans-57.8137.5174.2-24.934.3000112.1A345 C346 I347P343-A345 PolarHBondContact O-N 2.92Å; P343-A345 VanDerWaalsContact O-N 3.12Å; P343-C346 WeakPolarHBondContact O-CA 3.07Å; P343-C346 WeakPolarHBondContact O-CB 3.29Å; P343-C346 PolarHBondContact O-N 3.08Å; P343-I347 PolarHBondContact O-N 2.9Å
344E90.5Very high91.8Very high79 Ų7957 Ų5737%0.36930%0.302SS..Hα-helixtrans-54.3-36.7-178.2-177.960.9-155.100112.9R335 C342 C346 I347 S348R335-E344 WeakPolarHBondContact CD-OE2 3.33Å; R335-E344 VanDerWaalsContact CG-OE2 3.24Å; R335-E344 WeakPolarHBondContact CG-OE2 3.47Å; R335-E344 IonicContact NE-OE2 2.64Å; C342-E344 PolarHBondContact O-N 2.88Å; E344-C346 PolarHBondContact O-N 2.69Å; E344-I347 PolarHBondContact O-N 3.49Å; E344-I347 VanDerWaalsContact O-N 3.16Å; E344-S348 PolarHBondContact O-N 3.36Å
345A91.2Very high92.4Very high67 Ų6757.8 Ų57.855%0.55431%0.306SS*.Hα-helixtrans-60.1-31.7176.200000112.9P343 Y351P343-A345 PolarHBondContact O-N 2.92Å; P343-A345 VanDerWaalsContact O-N 3.12Å; A345-Y351 WeakPolarHBondContact O-CB 3.25Å
346C92.9Very high93.1Very high42 Ų4254.6 Ų54.628%0.28430%0.296SS..Hα-helixtrans-84.1-26.1177.5-61.10000112.7P343 E344 Y351 R352P343-C346 WeakPolarHBondContact O-CA 3.07Å; P343-C346 WeakPolarHBondContact O-CB 3.29Å; P343-C346 PolarHBondContact O-N 3.08Å; E344-C346 PolarHBondContact O-N 2.69Å; C346-Y351 HydrophobicContact CB-CD1 4.21Å; C346-Y351 HydrophobicContact CB-CE1 4.21Å; C346-R352 VanDerWaalsContact O-CG 3.28Å; C346-R352 WeakPolarHBondContact O-CG 3.13Å
347I93.3Very high93.7Very high8 Ų852 Ų524%0.04127%0.274CS..Hα-helixtrans-71.7-33.3173.2-60.1173.7000110.6A329 F339 C342 P343 E344 S349 R352A329-I347 HydrophobicContact CB-CG2 3.84Å; F339-I347 HydrophobicContact CB-CD1 3.58Å; F339-I347 HydrophobicContact CB-CG1 4.26Å; F339-I347 HydrophobicContact CG-CD1 4.47Å; C342-I347 HydrophobicContact CB-CD1 4.15Å; C342-I347 HydrophobicContact CB-CG1 3.95Å; P343-I347 PolarHBondContact O-N 2.9Å; E344-I347 PolarHBondContact O-N 3.49Å; E344-I347 VanDerWaalsContact O-N 3.16Å; I347-S349 PolarHBondContact O-N 2.98Å; I347-R352 WeakPolarHBondContact O-CD 3.43Å; I347-R352 PolarHBondContact O-NE 3.07Å
348S93.2Very high94.1Very high19 Ų1947.7 Ų47.713%0.13325%0.253CS..SBendtrans-56.5133.4-178.3-176.50000113.7R330 E344 A350 Y351 R352R330-S348 PolarHBondContact NH2-OG 2.6Å; E344-S348 PolarHBondContact O-N 3.36Å; S348-A350 PolarHBondContact O-N 3.09Å; S348-A350 VanDerWaalsContact O-N 3.09Å; S348-A350 PolarHBondContact OG-N 2.97Å; S348-Y351 PolarHBondContact O-N 3.27Å; S348-R352 PolarHBondContact O-N 3.24Å; S348-R352 VanDerWaalsContact O-N 3.09Å
349S94.3Very high94.4Very high14 Ų1444.7 Ų44.710%0.09824%0.237CC..Hα-helixtrans-50.8-31.1169.250.70000113.7E326 I347 Y351 R352 L353E326-S349 WeakPolarHBondContact OE1-CB 3.35Å; E326-S349 PolarHBondContact OE1-N 3.47Å; E326-S349 PolarHBondContact OE1-OG 2.85Å; E326-S349 WeakPolarHBondContact OE2-CB 3.41Å; E326-S349 PolarHBondContact OE2-N 2.87Å; E326-S349 VanDerWaalsContact OE2-N 3.07Å; I347-S349 PolarHBondContact O-N 2.98Å; S349-Y351 PolarHBondContact O-N 3Å; S349-R352 PolarHBondContact O-N 3.35Å; S349-L353 WeakPolarHBondContact O-CB 3.46Å; S349-L353 PolarHBondContact O-N 2.98Å
350A95.3Very high94.7Very high23 Ų2342.6 Ų42.619%0.1923%0.228CC..Hα-helixtrans-58.8-31.217700000112.8N197 T198 I199 S348N197-A350 WeakPolarHBondContact O-CB 3.33Å; T198-A350 CarbonylContact C-O 3.31Å; T198-A350 WeakPolarHBondContact CA-O 3.2Å; I199-A350 HydrophobicContact CG1-CB 4.45Å; I199-A350 PolarHBondContact N-O 3.07Å; S348-A350 PolarHBondContact O-N 3.09Å; S348-A350 VanDerWaalsContact O-N 3.09Å; S348-A350 PolarHBondContact OG-N 2.97Å
351Y96.4Very high95Very high51 Ų5135.2 Ų35.220%0.220%0.196CC..Hα-helixtrans-91.1-46.2175.6179.5-98.3000112.5I199 M201 P294 A345 C346 S348 S349 P354 L355I199-Y351 HydrophobicContact CD1-CD2 4.15Å; M201-Y351 HydrophobicContact CE-CD2 4.23Å; M201-Y351 HydrophobicContact CE-CE2 4.36Å; M201-Y351 WeakPolarHBondContact CE-O 3.5Å; M201-Y351 HydrophobicContact SD-CD2 4.18Å; M201-Y351 HydrophobicContact SD-CE2 3.82Å; P294-Y351 WeakPolarHBondContact CG-OH 3.45Å; A345-Y351 WeakPolarHBondContact O-CB 3.25Å; C346-Y351 HydrophobicContact CB-CD1 4.21Å; C346-Y351 HydrophobicContact CB-CE1 4.21Å; S348-Y351 PolarHBondContact O-N 3.27Å; S349-Y351 PolarHBondContact O-N 3Å; Y351-P354 WeakPolarHBondContact O-CD 3.49Å; Y351-L355 HydrophobicContact CD1-CD1 4.12Å; Y351-L355 HydrophobicContact CE1-CD1 3.6Å
352R96.7Very high95.1Very high40 Ų4029.7 Ų29.715%0.15117%0.174CC..Hα-helixtrans-69.1-40.4-174-63.6-174.5-64.2115.8-6.2113.2I323 L324 E326 C346 I347 S348 S349 L355 I356I323-R352 PolarHBondContact O-NH1 3.29Å; I323-R352 VanDerWaalsContact O-NH1 3.11Å; L324-R352 PolarHBondContact O-NH1 3.48Å; L324-R352 PolarHBondContact O-NH2 2.96Å; E326-R352 IonicContact OE2-CZ 3.03Å; E326-R352 IonicContact OE2-NH2 3.36Å; E326-R352 PolarHBondContact OE2-NH2 3.34Å; C346-R352 VanDerWaalsContact O-CG 3.28Å; C346-R352 WeakPolarHBondContact O-CG 3.13Å; I347-R352 WeakPolarHBondContact O-CD 3.43Å; I347-R352 PolarHBondContact O-NE 3.07Å; S348-R352 PolarHBondContact O-N 3.24Å; S348-R352 VanDerWaalsContact O-N 3.09Å; S349-R352 PolarHBondContact O-N 3.35Å; R352-L355 WeakPolarHBondContact O-CB 3.35Å; R352-L355 PolarHBondContact O-N 3.41Å; R352-I356 HydrophobicContact CB-CD1 4.15Å; R352-I356 WeakPolarHBondContact O-CG1 3.4Å; R352-I356 PolarHBondContact O-N 2.71Å
353L97.4Very high95.2Very high7 Ų727.9 Ų27.94%0.03716%0.162CC..Hα-helixtrans-63.5-42.4-169.6-176.261.6000113.8T198 S349 L355 I356 L357 V377 Y381 L382T198-L353 HydrophobicContact CG2-CD2 4.38Å; S349-L353 WeakPolarHBondContact O-CB 3.46Å; S349-L353 PolarHBondContact O-N 2.98Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 PolarHBondContact O-N 3.41Å; L353-I356 PolarHBondContact O-N 2.7Å; L353-L357 HydrophobicContact CD1-CD1 4.4Å; L353-L357 HydrophobicContact CD1-CG 4.26Å; L353-L357 HydrophobicContact CG-CD1 4.19Å; L353-L357 HydrophobicContact CG-CG 4.5Å; L353-L357 WeakPolarHBondContact O-CB 3.41Å; L353-L357 WeakPolarHBondContact O-CG 3.34Å; L353-L357 PolarHBondContact O-N 2.97Å; L353-V377 HydrophobicContact CD1-CG1 4.01Å; L353-Y381 HydrophobicContact CD2-CD1 3.53Å; L353-Y381 HydrophobicContact CD2-CD2 3.86Å; L353-Y381 HydrophobicContact CD2-CE1 4.07Å; L353-Y381 HydrophobicContact CD2-CE2 4.38Å; L353-Y381 HydrophobicContact CD2-CG 3.4Å; L353-L382 HydrophobicContact CD1-CD2 4.11Å
354P97.9Very high95.2Very high2 Ų228 Ų281%0.01315%0.154CC..Hα-helixtrans-58.4-36171.6-27.236000113.9T198 M201 C204 P205 Y351 R358T198-P354 HydrophobicContact CG2-CG 4.02Å; M201-P354 HydrophobicContact CE-CB 3.87Å; M201-P354 HydrophobicContact CE-CG 4.23Å; C204-P354 HydrophobicContact CB-CB 3.71Å; P205-P354 WeakPolarHBondContact CD-O 3.43Å; Y351-P354 WeakPolarHBondContact O-CD 3.49Å; P354-R358 WeakPolarHBondContact O-CB 3.26Å; P354-R358 PolarHBondContact O-N 3.4Å
355L97.5Very high95.4Very high16 Ų1624.3 Ų24.38%0.08414%0.138CC..Hα-helixtrans-70.9-44.3178.4-60.2172.4000111.3M201 P294 Y351 R352 L353 R358 E359M201-L355 HydrophobicContact CE-CD2 4.01Å; M201-L355 HydrophobicContact CE-CG 3.93Å; M201-L355 HydrophobicContact SD-CD2 4.29Å; P294-L355 HydrophobicContact CG-CD1 3.98Å; P294-L355 HydrophobicContact CG-CD2 3.77Å; Y351-L355 HydrophobicContact CD1-CD1 4.12Å; Y351-L355 HydrophobicContact CE1-CD1 3.6Å; R352-L355 WeakPolarHBondContact O-CB 3.35Å; R352-L355 PolarHBondContact O-N 3.41Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 PolarHBondContact O-N 3.41Å; L355-R358 WeakPolarHBondContact O-CB 3.43Å; L355-R358 PolarHBondContact O-N 3.2Å; L355-E359 PolarHBondContact O-N 2.76Å
356I97.3Very high95.6Very high27 Ų2722 Ų2214%0.13812%0.116CC..Hα-helixtrans-59.6-48174.8-67.5161.4000109.9I323 R352 L353 R358 E359 L360I323-I356 HydrophobicContact CB-CD1 4.27Å; I323-I356 HydrophobicContact CG2-CG2 4.15Å; R352-I356 HydrophobicContact CB-CD1 4.15Å; R352-I356 WeakPolarHBondContact O-CG1 3.4Å; R352-I356 PolarHBondContact O-N 2.71Å; L353-I356 PolarHBondContact O-N 2.7Å; I356-R358 VanDerWaalsContact C-N 3.34Å; I356-R358 PolarHBondContact O-N 3.31Å; I356-E359 WeakPolarHBondContact O-CB 3.33Å; I356-E359 PolarHBondContact O-N 3.11Å; I356-L360 HydrophobicContact CG2-CD1 3.96Å; I356-L360 HydrophobicContact CG2-CG 4.27Å; I356-L360 WeakPolarHBondContact O-CG 3.22Å; I356-L360 PolarHBondContact O-N 2.87Å
357L98Very high95.8Very high2 Ų220 Ų201%0.0110%0.103CC..Hα-helixtrans-61.8-41.2178.7-76.1172.4000112.1P205 V207 L353 E359 L360 F361 L382 A385P205-L357 HydrophobicContact CB-CB 4.26Å; P205-L357 HydrophobicContact CB-CD1 4.42Å; P205-L357 HydrophobicContact CG-CB 3.94Å; V207-L357 HydrophobicContact CG2-CD1 3.78Å; L353-L357 HydrophobicContact CD1-CD1 4.4Å; L353-L357 HydrophobicContact CD1-CG 4.26Å; L353-L357 HydrophobicContact CG-CD1 4.19Å; L353-L357 HydrophobicContact CG-CG 4.5Å; L353-L357 WeakPolarHBondContact O-CB 3.41Å; L353-L357 WeakPolarHBondContact O-CG 3.34Å; L353-L357 PolarHBondContact O-N 2.97Å; L357-E359 VanDerWaalsContact C-N 3.31Å; L357-E359 PolarHBondContact O-N 3.34Å; L357-L360 PolarHBondContact O-N 3.02Å; L357-F361 HydrophobicContact CD2-CE1 4.11Å; L357-F361 HydrophobicContact CD2-CZ 4.42Å; L357-F361 VanDerWaalsContact O-CB 3.25Å; L357-F361 WeakPolarHBondContact O-CB 3.34Å; L357-F361 VanDerWaalsContact O-CD1 3.23Å; L357-F361 WeakPolarHBondContact O-CD1 3.19Å; L357-F361 WeakPolarHBondContact O-CG 3.29Å; L357-F361 PolarHBondContact O-N 3.01Å; L357-L382 HydrophobicContact CD2-CD2 3.88Å; L357-A385 HydrophobicContact CD1-CB 4.27Å; L357-A385 HydrophobicContact CD2-CB 3.81Å
358R96.8Very high96Very high27 Ų2719.7 Ų19.710%0.10210%0.101CC..Hα-helixtrans-55.8-48.2173.8179.3170.272.7174.41.6111.1G203 A293 Y303 P354 L355 I356 F361 S362G203-R358 WeakPolarHBondContact O-CD 3.5Å; A293-R358 VanDerWaalsContact CB-NH1 3.32Å; Y303-R358 HydrophobicContact CE2-CG 4.4Å; P354-R358 WeakPolarHBondContact O-CB 3.26Å; P354-R358 PolarHBondContact O-N 3.4Å; L355-R358 WeakPolarHBondContact O-CB 3.43Å; L355-R358 PolarHBondContact O-N 3.2Å; I356-R358 VanDerWaalsContact C-N 3.34Å; I356-R358 PolarHBondContact O-N 3.31Å; R358-F361 PolarHBondContact O-N 2.9Å; R358-S362 PolarHBondContact O-N 2.98Å; R358-S362 VanDerWaalsContact O-N 3.09Å; R358-S362 PolarHBondContact O-OG 3.37Å; R358-S362 VanDerWaalsContact O-OG 3.12Å
359E95.7Very high96.3Very high22 Ų2218.8 Ų18.810%0.10310%0.095CC..Hα-helixtrans-61.4-51.5179.5180172.8-15700112H299 R302 Y303 Y321 L355 I356 L357 F361 S362 Y363H299-E359 IonicContact CD2-OE1 3.86Å; H299-E359 PolarHBondContact CD2-OE1 3.02Å; H299-E359 IonicContact CD2-OE2 3.62Å; H299-E359 IonicContact NE2-OE1 2.85Å; H299-E359 IonicContact NE2-OE2 3.63Å; R302-E359 IonicContact CZ-OE1 2.72Å; R302-E359 IonicContact NH1-OE1 3.72Å; R302-E359 PolarHBondContact NH1-OE1 2.53Å; R302-E359 IonicContact NH2-OE1 3.72Å; Y303-E359 HydrophobicContact CE1-CB 4.44Å; Y303-E359 HydrophobicContact CE1-CG 4.34Å; Y303-E359 VanDerWaalsContact OH-CA 3.28Å; Y303-E359 WeakPolarHBondContact OH-CA 3.38Å; Y303-E359 WeakPolarHBondContact OH-CB 3.38Å; Y321-E359 PolarHBondContact OH-OE1 2.95Å; L355-E359 PolarHBondContact O-N 2.76Å; I356-E359 WeakPolarHBondContact O-CB 3.33Å; I356-E359 PolarHBondContact O-N 3.11Å; L357-E359 VanDerWaalsContact C-N 3.31Å; L357-E359 PolarHBondContact O-N 3.34Å; E359-F361 VanDerWaalsContact C-N 3.28Å; E359-F361 PolarHBondContact O-N 3.06Å; E359-S362 PolarHBondContact O-N 2.82Å; E359-Y363 HydrophobicContact CB-CE2 4.46Å; E359-Y363 VanDerWaalsContact CD-OH 3.24Å; E359-Y363 HydrophobicContact CG-CD2 4.11Å; E359-Y363 HydrophobicContact CG-CE1 4.08Å; E359-Y363 HydrophobicContact CG-CE2 3.19Å; E359-Y363 WeakPolarHBondContact CG-OH 3.27Å; E359-Y363 WeakPolarHBondContact O-CD1 3.41Å; E359-Y363 WeakPolarHBondContact O-CD2 3.34Å; E359-Y363 VanDerWaalsContact O-CG 3.26Å; E359-Y363 PolarHBondContact O-N 2.82Å; E359-Y363 PolarHBondContact OE1-OH 3.01Å
360L97.3Very high96.4Very high1 Ų118.1 Ų18.11%0.0059%0.09CC..Hα-helixtrans-61.4-36178.5-63.4-178.5000112.5V319 I356 L357 I368 L370 L382 L386 R390V319-L360 HydrophobicContact CG1-CD2 4.16Å; I356-L360 HydrophobicContact CG2-CD1 3.96Å; I356-L360 HydrophobicContact CG2-CG 4.27Å; I356-L360 WeakPolarHBondContact O-CG 3.22Å; I356-L360 PolarHBondContact O-N 2.87Å; L357-L360 PolarHBondContact O-N 3.02Å; L360-I368 HydrophobicContact CB-CD1 4.33Å; L360-I368 HydrophobicContact CD2-CD1 4.48Å; L360-I368 HydrophobicContact CD2-CG2 3.85Å; L360-L370 HydrophobicContact CD1-CD1 3.89Å; L360-L370 HydrophobicContact CD1-CD2 4.44Å; L360-L370 HydrophobicContact CD2-CD2 4.13Å; L360-L382 HydrophobicContact CD1-CD2 4.35Å; L360-L386 HydrophobicContact CB-CD2 4.36Å; L360-R390 PolarHBondContact O-NH1 3.07Å; L360-R390 VanDerWaalsContact O-NH1 3.15Å
361F96.7Very high96.5Very high10 Ų1017 Ų174%0.0448%0.081CC..Hα-helixtrans-66.1-40.9177.2-75.68000111.7P205 L242 L357 R358 E359 Y363 A385 L386 Y389 R390P205-F361 HydrophobicContact CB-CD2 4.42Å; P205-F361 HydrophobicContact CB-CE2 3.78Å; P205-F361 HydrophobicContact CB-CZ 4.43Å; P205-F361 HydrophobicContact CG-CD2 3.43Å; P205-F361 VanDerWaalsContact CG-CD2 3.43Å; P205-F361 HydrophobicContact CG-CE2 3.27Å; P205-F361 HydrophobicContact CG-CG 4.43Å; P205-F361 HydrophobicContact CG-CZ 4.16Å; L242-F361 HydrophobicContact CD1-CE2 4.48Å; L242-F361 HydrophobicContact CD2-CE2 3.84Å; L242-F361 HydrophobicContact CD2-CZ 3.75Å; L357-F361 HydrophobicContact CD2-CE1 4.11Å; L357-F361 HydrophobicContact CD2-CZ 4.42Å; L357-F361 VanDerWaalsContact O-CB 3.25Å; L357-F361 WeakPolarHBondContact O-CB 3.34Å; L357-F361 VanDerWaalsContact O-CD1 3.23Å; L357-F361 WeakPolarHBondContact O-CD1 3.19Å; L357-F361 WeakPolarHBondContact O-CG 3.29Å; L357-F361 PolarHBondContact O-N 3.01Å; R358-F361 PolarHBondContact O-N 2.9Å; E359-F361 VanDerWaalsContact C-N 3.28Å; E359-F361 PolarHBondContact O-N 3.06Å; F361-Y363 VanDerWaalsContact C-N 3.28Å; F361-Y363 PolarHBondContact O-N 3.11Å; F361-A385 HydrophobicContact CE1-CB 4.34Å; F361-A385 HydrophobicContact CZ-CB 3.97Å; F361-A385 WeakPolarHBondContact CZ-O 3.06Å; F361-L386 HydrophobicContact CD1-CD2 3.92Å; F361-L386 HydrophobicContact CE1-CD2 3.84Å; F361-L386 HydrophobicContact CE1-CG 4.33Å; F361-Y389 HydrophobicContact CB-CD1 3.79Å; F361-Y389 HydrophobicContact CB-CE1 3.76Å; F361-Y389 HydrophobicContact CD1-CD1 4.01Å; F361-Y389 HydrophobicContact CD1-CG 4.46Å; F361-Y389 AromaticContact CD2-CD1 3.18Å; F361-Y389 HydrophobicContact CD2-CD1 3.18Å; F361-Y389 AromaticContact CD2-CD2 3.99Å; F361-Y389 HydrophobicContact CD2-CD2 3.99Å; F361-Y389 AromaticContact CD2-CE1 3.5Å; F361-Y389 HydrophobicContact CD2-CE1 3.5Å; F361-Y389 VanDerWaalsContact CD2-CE1 3.5Å; F361-Y389 HydrophobicContact CD2-CE2 4.24Å; F361-Y389 AromaticContact CD2-CG 3.45Å; F361-Y389 HydrophobicContact CD2-CG 3.45Å; F361-Y389 VanDerWaalsContact CD2-CG 3.45Å; F361-Y389 HydrophobicContact CE1-CD1 4.37Å; F361-Y389 HydrophobicContact CE1-CG 4.38Å; F361-Y389 AromaticContact CE2-CD1 3.61Å; F361-Y389 HydrophobicContact CE2-CD1 3.61Å; F361-Y389 AromaticContact CE2-CD2 3.77Å; F361-Y389 HydrophobicContact CE2-CD2 3.77Å; F361-Y389 HydrophobicContact CE2-CE1 4.25Å; F361-Y389 HydrophobicContact CE2-CE2 4.39Å; F361-Y389 AromaticContact CE2-CG 3.33Å; F361-Y389 HydrophobicContact CE2-CG 3.33Å; F361-Y389 AromaticContact CG-CD1 3.39Å; F361-Y389 HydrophobicContact CG-CD1 3.39Å; F361-Y389 AromaticContact CG-CE1 3.8Å; F361-Y389 HydrophobicContact CG-CE1 3.8Å; F361-Y389 HydrophobicContact CG-CG 4.03Å; F361-Y389 VanDerWaalsContact CZ-CB 3.44Å; F361-Y389 HydrophobicContact CZ-CD1 4.19Å; F361-Y389 AromaticContact CZ-CG 3.84Å; F361-Y389 HydrophobicContact CZ-CG 3.84Å; F361-R390 HydrophobicContact CD1-CG 4.09Å; F361-R390 WeakPolarHBondContact O-CD 3.44Å; F361-R390 PolarHBondContact O-NH1 3.13Å
362S95Very high96.5Very high37 Ų3715.9 Ų15.926%0.2598%0.078SC..Hα-helixtrans-71.6-17.4-177.8-65.50000114.3I306 R358 E359 Q364I306-S362 VanDerWaalsContact CG2-O 3.28Å; I306-S362 WeakPolarHBondContact CG2-O 3.12Å; R358-S362 PolarHBondContact O-N 2.98Å; R358-S362 VanDerWaalsContact O-N 3.09Å; R358-S362 PolarHBondContact O-OG 3.37Å; R358-S362 VanDerWaalsContact O-OG 3.12Å; E359-S362 PolarHBondContact O-N 2.82Å; S362-Q364 PolarHBondContact O-N 2.92Å
363Y93.8Very high96.5Very high6 Ų614 Ų142%0.0247%0.07CC..THydrogen-bonded Turntrans-77.3-11.4-169.3-70.7-21.4000117.9R302 Y303 I306 R317 V319 Y321 E359 F361 S365R302-Y363 HydrophobicContact CB-CE1 4.37Å; R302-Y363 PolarHBondContact NH1-OH 3.18Å; Y303-Y363 HydrophobicContact CD1-CD1 4.41Å; Y303-Y363 HydrophobicContact CD1-CE1 4.08Å; Y303-Y363 HydrophobicContact CE1-CD1 4.46Å; Y303-Y363 AromaticContact CE1-CE1 3.93Å; Y303-Y363 HydrophobicContact CE1-CE1 3.93Å; I306-Y363 HydrophobicContact CD1-CD1 3.24Å; I306-Y363 HydrophobicContact CD1-CE1 3.83Å; I306-Y363 HydrophobicContact CD1-CG 4.08Å; R317-Y363 WeakPolarHBondContact CD-O 3.46Å; R317-Y363 PolarHBondContact NH1-O 3.21Å; V319-Y363 HydrophobicContact CB-CD2 4.49Å; V319-Y363 HydrophobicContact CG1-CD2 3.88Å; V319-Y363 HydrophobicContact CG1-CE2 4.37Å; V319-Y363 HydrophobicContact CG2-CD2 3.75Å; V319-Y363 HydrophobicContact CG2-CG 4.07Å; Y321-Y363 HydrophobicContact CD2-CE2 4.31Å; Y321-Y363 HydrophobicContact CE2-CD2 4.16Å; Y321-Y363 AromaticContact CE2-CE2 3.37Å; Y321-Y363 HydrophobicContact CE2-CE2 3.37Å; Y321-Y363 AromaticContact CZ-CE2 3.89Å; Y321-Y363 PolarHBondContact OH-OH 3.48Å; Y321-Y363 VanDerWaalsContact OH-OH 3.08Å; E359-Y363 HydrophobicContact CB-CE2 4.46Å; E359-Y363 VanDerWaalsContact CD-OH 3.24Å; E359-Y363 HydrophobicContact CG-CD2 4.11Å; E359-Y363 HydrophobicContact CG-CE1 4.08Å; E359-Y363 HydrophobicContact CG-CE2 3.19Å; E359-Y363 WeakPolarHBondContact CG-OH 3.27Å; E359-Y363 WeakPolarHBondContact O-CD1 3.41Å; E359-Y363 WeakPolarHBondContact O-CD2 3.34Å; E359-Y363 VanDerWaalsContact O-CG 3.26Å; E359-Y363 PolarHBondContact O-N 2.82Å; E359-Y363 PolarHBondContact OE1-OH 3.01Å; F361-Y363 VanDerWaalsContact C-N 3.28Å; F361-Y363 PolarHBondContact O-N 3.11Å; Y363-S365 PolarHBondContact O-N 2.86Å; Y363-S365 VanDerWaalsContact O-N 3.07Å
364Q92.4Very high96.5Very high87 Ų8714 Ų1441%0.4077%0.07SC..  trans50.434.7179-58.7-179.2-6.500113I306 S362 R390I306-Q364 HydrophobicContact CG2-CB 4.18Å; I306-Q364 HydrophobicContact CG2-CG 3.98Å; S362-Q364 PolarHBondContact O-N 2.92Å; Q364-R390 VanDerWaalsContact CA-NH2 3.29Å
365S94.6Very high96.4Very high2 Ų217.6 Ų17.61%0.0148%0.084CC..  trans-78.9148.5-176.6530000113.5Y363 F367 I368 R390Y363-S365 PolarHBondContact O-N 2.86Å; Y363-S365 VanDerWaalsContact O-N 3.07Å; S365-F367 WeakPolarHBondContact CB-O 3.5Å; S365-I368 WeakPolarHBondContact OG-CG1 3.48Å; S365-R390 PolarHBondContact O-NH2 2.95Å
366D95.4Very high96.3Very high20 Ų2021.2 Ų21.211%0.10710%0.096CC..SBendtrans-78-40.8166.2-62.9-73.9000111.2L316 R317 M392 Y428 C429 R432 F433L316-D366 WeakPolarHBondContact CA-OD2 3.26Å; L316-D366 HydrophobicContact CD2-CB 4.4Å; R317-D366 PolarHBondContact N-OD2 2.95Å; R317-D366 PolarHBondContact O-N 3.46Å; D366-M392 WeakPolarHBondContact O-CE 3.35Å; D366-Y428 CarbonylContact O-C 3.59Å; D366-Y428 WeakPolarHBondContact O-CA 3.48Å; D366-C429 PolarHBondContact O-N 2.86Å; D366-R432 VanDerWaalsContact CG-NH1 3.28Å; D366-R432 WeakPolarHBondContact OD1-CD 3.41Å; D366-R432 IonicContact OD1-CZ 2.89Å; D366-R432 IonicContact OD1-NE 3.87Å; D366-R432 IonicContact OD1-NH1 3.69Å; D366-R432 PolarHBondContact OD1-NH1 3.42Å; D366-R432 IonicContact OD2-NH1 2.98Å; D366-R432 PolarHBondContact OD2-NH1 2.89Å; D366-F433 HydrophobicContact CB-CE2 4.02Å
367F97.1Very high96.3Very high0 Ų020.3 Ų20.30%09%0.092CC..EExtended strand (participates in β ladder)trans-128.9141177.5-67.4-82.8000111.7R317 V318 V319 S365 I426 F427 Y428 F433 F497 L509 V511R317-F367 PolarHBondContact O-N 3.2Å; V318-F367 HydrophobicContact CG1-CB 4.33Å; V318-F367 HydrophobicContact CG2-CB 4.48Å; V319-F367 PolarHBondContact N-O 3.48Å; S365-F367 WeakPolarHBondContact CB-O 3.5Å; F367-I426 HydrophobicContact CD1-CG2 4.32Å; F367-F427 CarbonylContact C-O 3.3Å; F367-F427 VanDerWaalsContact CA-O 3.26Å; F367-F427 WeakPolarHBondContact CA-O 3.24Å; F367-Y428 VanDerWaalsContact CE1-CB 3.5Å; F367-F433 AromaticContact CE2-CD2 3.94Å; F367-F433 HydrophobicContact CE2-CD2 3.94Å; F367-F433 HydrophobicContact CE2-CE1 4.27Å; F367-F433 AromaticContact CE2-CE2 3.67Å; F367-F433 HydrophobicContact CE2-CE2 3.67Å; F367-F433 HydrophobicContact CE2-CG 4.37Å; F367-F433 AromaticContact CE2-CZ 3.87Å; F367-F433 HydrophobicContact CE2-CZ 3.87Å; F367-F433 HydrophobicContact CZ-CD1 4.08Å; F367-F433 AromaticContact CZ-CD2 3.82Å; F367-F433 HydrophobicContact CZ-CD2 3.82Å; F367-F433 HydrophobicContact CZ-CE1 4.26Å; F367-F433 HydrophobicContact CZ-CE2 4.02Å; F367-F433 AromaticContact CZ-CG 3.87Å; F367-F433 HydrophobicContact CZ-CG 3.87Å; F367-F433 HydrophobicContact CZ-CZ 4.25Å; F367-F497 HydrophobicContact CE1-CD1 4.21Å; F367-F497 AromaticContact CE1-CD2 3.75Å; F367-F497 HydrophobicContact CE1-CD2 3.75Å; F367-F497 HydrophobicContact CE1-CE1 4.28Å; F367-F497 AromaticContact CE1-CE2 3.82Å; F367-F497 HydrophobicContact CE1-CE2 3.82Å; F367-F497 AromaticContact CE1-CG 3.94Å; F367-F497 HydrophobicContact CE1-CG 3.94Å; F367-F497 HydrophobicContact CE1-CZ 4.09Å; F367-F497 HydrophobicContact CZ-CB 4.42Å; F367-F497 HydrophobicContact CZ-CD2 4.14Å; F367-F497 HydrophobicContact CZ-CG 4.14Å; F367-L509 HydrophobicContact CE2-CD2 3.53Å; F367-L509 HydrophobicContact CZ-CD2 3.76Å; F367-V511 HydrophobicContact CD1-CB 4.35Å; F367-V511 HydrophobicContact CD1-CG1 4.25Å; F367-V511 HydrophobicContact CD1-CG2 3.92Å; F367-V511 HydrophobicContact CD2-CG2 4.29Å; F367-V511 HydrophobicContact CE1-CB 4.34Å; F367-V511 HydrophobicContact CE1-CG2 3.67Å; F367-V511 HydrophobicContact CE2-CG2 4.07Å; F367-V511 HydrophobicContact CG-CG1 4.48Å; F367-V511 HydrophobicContact CG-CG2 4.22Å; F367-V511 HydrophobicContact CZ-CG2 3.75Å
368I98Very high96.3Very high0 Ų020.9 Ų20.90%09%0.094CC..EExtended strand (participates in β ladder)trans-124.5118.8170.6-57.6167.4000108.1V319 L360 S365 L370 L386 M392 I426 F427V319-I368 HydrophobicContact CB-CG1 4.17Å; V319-I368 HydrophobicContact CB-CG2 4.47Å; V319-I368 HydrophobicContact CG1-CG1 4.46Å; V319-I368 HydrophobicContact CG1-CG2 4.09Å; V319-I368 CarbonylContact O-C 3.56Å; V319-I368 WeakPolarHBondContact O-CA 3.36Å; L360-I368 HydrophobicContact CB-CD1 4.33Å; L360-I368 HydrophobicContact CD2-CD1 4.48Å; L360-I368 HydrophobicContact CD2-CG2 3.85Å; S365-I368 WeakPolarHBondContact OG-CG1 3.48Å; I368-L370 HydrophobicContact CG2-CD1 4.29Å; I368-L370 HydrophobicContact CG2-CD2 3.49Å; I368-L370 VanDerWaalsContact CG2-CD2 3.49Å; I368-L370 HydrophobicContact CG2-CG 3.72Å; I368-L386 HydrophobicContact CD1-CD1 4.31Å; I368-L386 HydrophobicContact CD1-CD2 3.93Å; I368-M392 HydrophobicContact CD1-CE 3.92Å; I368-M392 HydrophobicContact CD1-SD 3.66Å; I368-M392 HydrophobicContact CG1-CE 3.87Å; I368-M392 HydrophobicContact CG1-SD 4.25Å; I368-I426 CarbonylContact O-C 3.54Å; I368-I426 WeakPolarHBondContact O-CA 3.21Å; I368-F427 HydrophobicContact CB-CB 4.16Å; I368-F427 HydrophobicContact CB-CD2 4.31Å; I368-F427 HydrophobicContact CG2-CD2 4.41Å; I368-F427 PolarHBondContact N-O 3.4Å; I368-F427 PolarHBondContact O-N 3Å
369C98.1Very high96.3Very high0 Ų022 Ų220%010%0.102CC..EExtended strand (participates in β ladder)trans-106.9112.8176.5-66.10000109.2V319 S320 Y321 Q371 A425 N513 V557V319-C369 PolarHBondContact O-N 2.87Å; S320-C369 VanDerWaalsContact CA-O 3.25Å; S320-C369 WeakPolarHBondContact CA-O 3.31Å; Y321-C369 PolarHBondContact N-O 3.44Å; C369-Q371 PolarHBondContact O-NE2 3.19Å; C369-A425 WeakPolarHBondContact CA-O 3.16Å; C369-N513 HydrophobicContact CB-CB 4Å; C369-V557 HydrophobicContact CB-CB 4.05Å; C369-V557 HydrophobicContact CB-CG1 3.74Å; C369-V557 HydrophobicContact CB-CG2 4.49Å
370L98Very high96.2Very high0 Ų023.5 Ų23.50%011%0.108CC..EExtended strand (participates in β ladder)trans-111.6140.6-178.4-56.1-177.3000111.8Y321 I323 L360 I368 V373 L382 C424 A425 F427 N513Y321-L370 CarbonylContact O-C 3.58Å; Y321-L370 VanDerWaalsContact O-CA 3.25Å; Y321-L370 WeakPolarHBondContact O-CA 3.38Å; I323-L370 HydrophobicContact CD1-CD1 4.39Å; I323-L370 HydrophobicContact CG2-CD1 4.33Å; I323-L370 HydrophobicContact CG2-CD2 3.94Å; L360-L370 HydrophobicContact CD1-CD1 3.89Å; L360-L370 HydrophobicContact CD1-CD2 4.44Å; L360-L370 HydrophobicContact CD2-CD2 4.13Å; I368-L370 HydrophobicContact CG2-CD1 4.29Å; I368-L370 HydrophobicContact CG2-CD2 3.49Å; I368-L370 VanDerWaalsContact CG2-CD2 3.49Å; I368-L370 HydrophobicContact CG2-CG 3.72Å; L370-V373 HydrophobicContact CB-CG2 3.48Å; L370-V373 VanDerWaalsContact CB-CG2 3.48Å; L370-V373 HydrophobicContact CD1-CG2 4.49Å; L370-L382 HydrophobicContact CD1-CD1 3.98Å; L370-C424 VanDerWaalsContact O-CA 3.32Å; L370-C424 WeakPolarHBondContact O-CA 3.23Å; L370-A425 HydrophobicContact CB-CB 4.44Å; L370-A425 PolarHBondContact N-O 3.41Å; L370-A425 PolarHBondContact O-N 3.02Å; L370-F427 HydrophobicContact CD1-CD2 4.41Å; L370-F427 HydrophobicContact CD1-CE2 3.88Å; L370-F427 HydrophobicContact CG-CE2 4.43Å; L370-N513 PolarHBondContact N-ND2 3.05Å; L370-N513 VanDerWaalsContact N-ND2 3.2Å; L370-N513 PolarHBondContact O-ND2 2.85Å
371Q96.4Very high96.2Very high0 Ų023.6 Ų23.60%011%0.109CC..EExtended strand (participates in β ladder)trans-117.1158173.2-52.183.236.500110.8S320 Y321 N322 I323 C369 N513 H515 F559S320-Q371 PolarHBondContact OG-NE2 2.78Å; Y321-Q371 PolarHBondContact O-N 2.91Å; Y321-Q371 PolarHBondContact O-OE1 2.92Å; N322-Q371 HydrophobicContact CB-CB 4.34Å; N322-Q371 VanDerWaalsContact N-OE1 3.15Å; I323-Q371 PolarHBondContact N-O 3.41Å; C369-Q371 PolarHBondContact O-NE2 3.19Å; Q371-N513 PolarHBondContact NE2-OD1 2.92Å; Q371-H515 HydrophobicContact CB-CB 3.92Å; Q371-H515 HydrophobicContact CG-CB 3.88Å; Q371-F559 HydrophobicContact CG-CB 4.49Å
372E95.5Very high96.3Very high28 Ų2823.1 Ų23.113%0.13111%0.107CC..EExtended strand (participates in β ladder)trans55.649.8-173.8-57.8-171.9-157.900113.2N322 L324 A325 Y328 E422 G423 H515N322-E372 VanDerWaalsContact ND2-CD 3.25Å; N322-E372 PolarHBondContact ND2-OE1 3.17Å; N322-E372 WeakPolarHBondContact OD1-CB 3.14Å; N322-E372 WeakPolarHBondContact OD1-CG 3.15Å; L324-E372 WeakPolarHBondContact CA-OE2 3.3Å; A325-E372 WeakPolarHBondContact CA-O 3.5Å; A325-E372 HydrophobicContact CB-CB 4.06Å; A325-E372 VanDerWaalsContact CB-O 3.3Å; A325-E372 WeakPolarHBondContact CB-O 3.27Å; A325-E372 PolarHBondContact N-O 3.16Å; A325-E372 PolarHBondContact N-OE2 2.84Å; Y328-E372 HydrophobicContact CD2-CG 4.35Å; Y328-E372 WeakPolarHBondContact CD2-OE2 3.25Å; Y328-E372 HydrophobicContact CE2-CG 4.22Å; E372-E422 WeakPolarHBondContact CA-OE2 3.35Å; E372-G423 PolarHBondContact N-O 3.16Å; E372-H515 IonicContact OE1-CE1 3.79Å; E372-H515 PolarHBondContact OE1-CE1 3.32Å; E372-H515 IonicContact OE1-ND1 3.72Å
373V97.9Very high96.4Very high0 Ų022.1 Ų22.10%010%0.098CC..EExtended strand (participates in β ladder)trans-98.9117.4178.7-174.50000109I323 L370 L382 F396 E422 G423 A425I323-V373 HydrophobicContact CD1-CB 4.31Å; I323-V373 HydrophobicContact CD1-CG1 4.25Å; I323-V373 HydrophobicContact CD1-CG2 3.79Å; I323-V373 HydrophobicContact CG1-CG2 4.01Å; L370-V373 HydrophobicContact CB-CG2 3.48Å; L370-V373 VanDerWaalsContact CB-CG2 3.48Å; L370-V373 HydrophobicContact CD1-CG2 4.49Å; V373-L382 HydrophobicContact CG1-CD1 3.59Å; V373-F396 HydrophobicContact CB-CE2 4.05Å; V373-F396 HydrophobicContact CG1-CE2 4.19Å; V373-F396 WeakPolarHBondContact O-CE2 3.39Å; V373-E422 CarbonylContact O-C 3.6Å; V373-E422 WeakPolarHBondContact O-CA 3.4Å; V373-E422 WeakPolarHBondContact O-CB 3.47Å; V373-G423 PolarHBondContact N-O 3.09Å; V373-G423 PolarHBondContact O-N 2.94Å; V373-A425 HydrophobicContact CG2-CB 4.31Å
374D97.4Very high96.5Very high7 Ų723.3 Ų23.34%0.03711%0.105CC..EExtended strand (participates in β ladder)trans-61.9140.9169.5-54.6-104.7000110.6A325 E326 M327 W376 V377 Y378A325-D374 VanDerWaalsContact CA-OD2 3.29Å; A325-D374 WeakPolarHBondContact CA-OD2 3.26Å; E326-D374 PolarHBondContact N-OD2 2.83Å; M327-D374 PolarHBondContact N-OD1 3.47Å; D374-W376 HydrophobicContact CB-CG 4.32Å; D374-W376 PolarHBondContact O-N 2.74Å; D374-V377 HydrophobicContact CB-CB 4.12Å; D374-V377 HydrophobicContact CB-CG2 3.88Å; D374-V377 PolarHBondContact O-N 3.3Å; D374-Y378 PolarHBondContact O-N 3.26Å
375R96.1Very high96.8Very high77 Ų7719.2 Ų19.229%0.2919%0.086SC..Hα-helixtrans-50.1-47176177.881.8-88.2-105.310.6111.6Y378 D379 F396 G421R375-Y378 PolarHBondContact O-N 3.07Å; R375-D379 IonicContact CZ-OD1 2.89Å; R375-D379 IonicContact CZ-OD2 3.71Å; R375-D379 IonicContact NE-OD1 3.61Å; R375-D379 IonicContact NE-OD2 3.93Å; R375-D379 PolarHBondContact NE-OD2 2.89Å; R375-D379 IonicContact NH1-OD1 3.71Å; R375-D379 PolarHBondContact NH1-OD1 2.99Å; R375-D379 IonicContact NH1-OD2 3.19Å; R375-D379 PolarHBondContact NH1-OD2 3.23Å; R375-D379 IonicContact NH2-OD1 3.74Å; R375-D379 PolarHBondContact NH2-OD1 2.83Å; R375-D379 IonicContact NH2-OD2 3.69Å; R375-D379 PolarHBondContact O-N 3.19Å; R375-F396 HydrophobicContact CB-CE1 4.24Å; R375-F396 HydrophobicContact CB-CZ 4.25Å; R375-F396 HydrophobicContact CG-CE1 4.47Å; R375-F396 VanDerWaalsContact NE-CD1 3.26Å; R375-F396 VanDerWaalsContact NE-CE1 3.26Å; R375-G421 PolarHBondContact N-O 3.12Å
376W95.4Very high96.9Very high93 Ų9319.1 Ų19.135%0.3529%0.085SC..Hα-helixtrans-70.3-32.5-17971.4-90.6000112.7E326 D374 K380 Y381E326-W376 HydrophobicContact CB-CZ2 3.96Å; E326-W376 HydrophobicContact CG-CZ2 4.13Å; D374-W376 HydrophobicContact CB-CG 4.32Å; D374-W376 PolarHBondContact O-N 2.74Å; W376-K380 WeakPolarHBondContact O-CB 3.46Å; W376-K380 VanDerWaalsContact O-CG 3.25Å; W376-K380 WeakPolarHBondContact O-CG 3.39Å; W376-K380 PolarHBondContact O-N 2.73Å; W376-Y381 HydrophobicContact CE3-CD2 4.24Å; W376-Y381 AromaticContact CE3-CE2 3.87Å; W376-Y381 HydrophobicContact CE3-CE2 3.87Å; W376-Y381 HydrophobicContact CZ3-CD2 4.04Å; W376-Y381 AromaticContact CZ3-CE2 3.5Å; W376-Y381 HydrophobicContact CZ3-CE2 3.5Å
377V97.3Very high97Very high8 Ų822.5 Ų22.55%0.04810%0.096CC..Hα-helixtrans-66.2-43.5174.3171.60000109.8L353 D374 Y381 L382L353-V377 HydrophobicContact CD1-CG1 4.01Å; D374-V377 HydrophobicContact CB-CB 4.12Å; D374-V377 HydrophobicContact CB-CG2 3.88Å; D374-V377 PolarHBondContact O-N 3.3Å; V377-Y381 WeakPolarHBondContact O-CB 3.32Å; V377-Y381 PolarHBondContact O-N 2.87Å; V377-Y381 VanDerWaalsContact O-N 3.12Å; V377-L382 HydrophobicContact CG1-CD1 3.91Å; V377-L382 HydrophobicContact CG1-CG 3.94Å; V377-L382 PolarHBondContact O-N 2.88Å
378Y98.1Very high96.9Very high13 Ų1325.6 Ų25.65%0.05112%0.118CC..Iπ-helixtrans-59-55.1173.7172.9-86.6000111.7D374 R375 L382 L383 G394 F396 A425 F427D374-Y378 PolarHBondContact O-N 3.26Å; R375-Y378 PolarHBondContact O-N 3.07Å; Y378-L382 PolarHBondContact O-N 3.29Å; Y378-L383 HydrophobicContact CE1-CB 4.36Å; Y378-L383 HydrophobicContact CE1-CD2 3.99Å; Y378-L383 WeakPolarHBondContact O-CB 3.34Å; Y378-L383 PolarHBondContact O-N 2.94Å; Y378-G394 VanDerWaalsContact OH-C 3.23Å; Y378-G394 PolarHBondContact OH-O 3.39Å; Y378-F396 HydrophobicContact CD1-CB 3.89Å; Y378-F396 HydrophobicContact CD1-CD2 4.46Å; Y378-F396 HydrophobicContact CD1-CG 4.1Å; Y378-F396 HydrophobicContact CD2-CB 3.75Å; Y378-F396 AromaticContact CD2-CD2 3.93Å; Y378-F396 HydrophobicContact CD2-CD2 3.93Å; Y378-F396 HydrophobicContact CD2-CG 4.12Å; Y378-F396 HydrophobicContact CE1-CB 3.72Å; Y378-F396 HydrophobicContact CE1-CG 4.4Å; Y378-F396 HydrophobicContact CE2-CB 3.58Å; Y378-F396 HydrophobicContact CE2-CG 4.44Å; Y378-F396 HydrophobicContact CG-CB 3.9Å; Y378-F396 AromaticContact CG-CD2 3.85Å; Y378-F396 HydrophobicContact CG-CD2 3.85Å; Y378-F396 AromaticContact CG-CG 3.93Å; Y378-F396 HydrophobicContact CG-CG 3.93Å; Y378-A425 HydrophobicContact CD2-CB 3.95Å; Y378-A425 HydrophobicContact CE2-CB 4.21Å; Y378-F427 HydrophobicContact CD2-CE1 4.2Å; Y378-F427 HydrophobicContact CD2-CE2 4.5Å; Y378-F427 AromaticContact CD2-CZ 3.63Å; Y378-F427 HydrophobicContact CD2-CZ 3.63Å; Y378-F427 AromaticContact CE2-CE1 3.77Å; Y378-F427 HydrophobicContact CE2-CE1 3.77Å; Y378-F427 AromaticContact CE2-CZ 3.63Å; Y378-F427 HydrophobicContact CE2-CZ 3.63Å
379D95.5Very high96.8Very high50 Ų5031.2 Ų31.227%0.26714%0.14SC..Iπ-helixtrans-66.7-44.1-173-79.3-32.2000113.2R375R375-D379 IonicContact CZ-OD1 2.89Å; R375-D379 IonicContact CZ-OD2 3.71Å; R375-D379 IonicContact NE-OD1 3.61Å; R375-D379 IonicContact NE-OD2 3.93Å; R375-D379 PolarHBondContact NE-OD2 2.89Å; R375-D379 IonicContact NH1-OD1 3.71Å; R375-D379 PolarHBondContact NH1-OD1 2.99Å; R375-D379 IonicContact NH1-OD2 3.19Å; R375-D379 PolarHBondContact NH1-OD2 3.23Å; R375-D379 IonicContact NH2-OD1 3.74Å; R375-D379 PolarHBondContact NH2-OD1 2.83Å; R375-D379 IonicContact NH2-OD2 3.69Å; R375-D379 PolarHBondContact O-N 3.19Å
380K94.6Very high96.7Very high54 Ų5433.3 Ų33.324%0.23515%0.148CC..Iπ-helixtrans-92.8-19.2-167.8-53.9-57.6-175.3179.60112.6F209 W376F209-K380 HydrophobicContact CD2-CB 4.05Å; F209-K380 HydrophobicContact CD2-CG 4.23Å; F209-K380 HydrophobicContact CE2-CB 4.11Å; F209-K380 HydrophobicContact CE2-CD 4.36Å; F209-K380 HydrophobicContact CE2-CG 3.77Å; F209-K380 HydrophobicContact CZ-CD 4.5Å; F209-K380 HydrophobicContact CZ-CG 4.34Å; W376-K380 WeakPolarHBondContact O-CB 3.46Å; W376-K380 VanDerWaalsContact O-CG 3.25Å; W376-K380 WeakPolarHBondContact O-CG 3.39Å; W376-K380 PolarHBondContact O-N 2.73Å
381Y97.2Very high96.6Very high4 Ų436 Ų362%0.01616%0.163CC..Iπ-helixtrans-129.8-68.5-174.9-61-91.1000112.8T198 V207 F209 L353 W376 V377 L383 A385T198-Y381 HydrophobicContact CG2-CE1 4.04Å; V207-Y381 HydrophobicContact CB-CD1 4.06Å; V207-Y381 HydrophobicContact CG1-CD1 4.06Å; F209-Y381 WeakPolarHBondContact CB-OH 3.38Å; F209-Y381 AromaticContact CD2-CE2 3.97Å; F209-Y381 HydrophobicContact CD2-CE2 3.97Å; L353-Y381 HydrophobicContact CD2-CD1 3.53Å; L353-Y381 HydrophobicContact CD2-CD2 3.86Å; L353-Y381 HydrophobicContact CD2-CE1 4.07Å; L353-Y381 HydrophobicContact CD2-CE2 4.38Å; L353-Y381 HydrophobicContact CD2-CG 3.4Å; W376-Y381 HydrophobicContact CE3-CD2 4.24Å; W376-Y381 AromaticContact CE3-CE2 3.87Å; W376-Y381 HydrophobicContact CE3-CE2 3.87Å; W376-Y381 HydrophobicContact CZ3-CD2 4.04Å; W376-Y381 AromaticContact CZ3-CE2 3.5Å; W376-Y381 HydrophobicContact CZ3-CE2 3.5Å; V377-Y381 WeakPolarHBondContact O-CB 3.32Å; V377-Y381 PolarHBondContact O-N 2.87Å; V377-Y381 VanDerWaalsContact O-N 3.12Å; Y381-L383 PolarHBondContact O-N 3.28Å; Y381-A385 WeakPolarHBondContact O-CB 3.37Å; Y381-A385 PolarHBondContact O-N 2.97Å
382L98.2Very high96.7Very high0 Ų036 Ų360%016%0.163CC..Iπ-helixtrans-59.8-48.6-166.4-62.8172.3000112.4I323 L353 L357 L360 L370 V373 V377 Y378 A385 L386 F427I323-L382 HydrophobicContact CD1-CD1 4.05Å; L353-L382 HydrophobicContact CD1-CD2 4.11Å; L357-L382 HydrophobicContact CD2-CD2 3.88Å; L360-L382 HydrophobicContact CD1-CD2 4.35Å; L370-L382 HydrophobicContact CD1-CD1 3.98Å; V373-L382 HydrophobicContact CG1-CD1 3.59Å; V377-L382 HydrophobicContact CG1-CD1 3.91Å; V377-L382 HydrophobicContact CG1-CG 3.94Å; V377-L382 PolarHBondContact O-N 2.88Å; Y378-L382 PolarHBondContact O-N 3.29Å; L382-A385 PolarHBondContact O-N 3.12Å; L382-L386 VanDerWaalsContact O-CB 3.29Å; L382-L386 WeakPolarHBondContact O-CB 3.46Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.93Å; L382-F427 HydrophobicContact CB-CE1 4.4Å; L382-F427 HydrophobicContact CB-CE2 4.4Å; L382-F427 HydrophobicContact CB-CZ 3.69Å; L382-F427 HydrophobicContact CD1-CZ 4.44Å
383L97.9Very high96.8Very high15 Ų1536 Ų368%0.07916%0.163CC..Hα-helixtrans-58.9-54.6-175.6-177.761.4000112Y378 Y381 R387 F427Y378-L383 HydrophobicContact CE1-CB 4.36Å; Y378-L383 HydrophobicContact CE1-CD2 3.99Å; Y378-L383 WeakPolarHBondContact O-CB 3.34Å; Y378-L383 PolarHBondContact O-N 2.94Å; Y381-L383 PolarHBondContact O-N 3.28Å; L383-R387 HydrophobicContact CD1-CG 4.37Å; L383-R387 VanDerWaalsContact O-CB 3.29Å; L383-R387 WeakPolarHBondContact O-CB 3.36Å; L383-R387 WeakPolarHBondContact O-CG 3.48Å; L383-R387 PolarHBondContact O-N 3.27Å; L383-F427 HydrophobicContact CB-CE1 4.46Å; L383-F427 HydrophobicContact CD1-CE1 4.17Å
384N95.9Very high96.8Very high32 Ų3236.4 Ų36.417%0.17117%0.167CC..Hα-helixtrans-74.2-33.7-176.3-63.7-42.3000112L217 F241 S388L217-N384 HydrophobicContact CD1-CB 3.82Å; L217-N384 WeakPolarHBondContact CD1-ND2 3.5Å; L217-N384 WeakPolarHBondContact CD1-OD1 3.32Å; F241-N384 HydrophobicContact CD1-CB 4.36Å; F241-N384 HydrophobicContact CE1-CB 3.53Å; F241-N384 HydrophobicContact CZ-CB 3.69Å; N384-S388 VanDerWaalsContact O-CB 3.27Å; N384-S388 WeakPolarHBondContact O-CB 3.46Å; N384-S388 PolarHBondContact O-N 3.48Å; N384-S388 PolarHBondContact O-OG 3.16Å; N384-S388 VanDerWaalsContact O-OG 3.04Å
385A97.7Very high96.8Very high0 Ų036.3 Ų36.30%017%0.166CC..Hα-helixtrans-63.2-47.1175.600000111.7V207 L242 L357 F361 Y381 L382 S388 Y389V207-A385 HydrophobicContact CG1-CB 4.46Å; V207-A385 HydrophobicContact CG2-CB 3.92Å; L242-A385 HydrophobicContact CD2-CB 4.24Å; L357-A385 HydrophobicContact CD1-CB 4.27Å; L357-A385 HydrophobicContact CD2-CB 3.81Å; F361-A385 HydrophobicContact CE1-CB 4.34Å; F361-A385 HydrophobicContact CZ-CB 3.97Å; F361-A385 WeakPolarHBondContact CZ-O 3.06Å; Y381-A385 WeakPolarHBondContact O-CB 3.37Å; Y381-A385 PolarHBondContact O-N 2.97Å; L382-A385 PolarHBondContact O-N 3.12Å; A385-S388 PolarHBondContact O-N 2.89Å; A385-Y389 WeakPolarHBondContact O-CB 3.46Å; A385-Y389 PolarHBondContact O-N 2.88Å
386L98.1Very high96.9Very high0 Ų033.6 Ų33.60%016%0.157CC..Hα-helixtrans-70.5-37.7178.2-73.9168.7000112.4L360 F361 I368 L382 R390 N391 M392 F427L360-L386 HydrophobicContact CB-CD2 4.36Å; F361-L386 HydrophobicContact CD1-CD2 3.92Å; F361-L386 HydrophobicContact CE1-CD2 3.84Å; F361-L386 HydrophobicContact CE1-CG 4.33Å; I368-L386 HydrophobicContact CD1-CD1 4.31Å; I368-L386 HydrophobicContact CD1-CD2 3.93Å; L382-L386 VanDerWaalsContact O-CB 3.29Å; L382-L386 WeakPolarHBondContact O-CB 3.46Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.93Å; L386-R390 HydrophobicContact CD2-CG 4.33Å; L386-R390 CarbonylContact O-C 3.53Å; L386-R390 WeakPolarHBondContact O-CA 3.45Å; L386-R390 WeakPolarHBondContact O-CB 3.39Å; L386-R390 PolarHBondContact O-N 3.29Å; L386-N391 PolarHBondContact O-N 2.97Å; L386-M392 CarbonylContact C-O 3.42Å; L386-M392 HydrophobicContact CB-CB 4.27Å; L386-M392 PolarHBondContact O-N 3.27Å; L386-F427 HydrophobicContact CB-CD1 4.37Å; L386-F427 HydrophobicContact CD1-CB 4.22Å; L386-F427 HydrophobicContact CD1-CD1 3.57Å; L386-F427 HydrophobicContact CD1-CD2 3.66Å; L386-F427 HydrophobicContact CD1-CE1 3.77Å; L386-F427 HydrophobicContact CD1-CE2 3.84Å; L386-F427 HydrophobicContact CD1-CG 3.52Å; L386-F427 HydrophobicContact CD1-CZ 3.89Å
387R96.7Very high97Very high91 Ų9130.3 Ų30.334%0.34315%0.146SC..Hα-helixtrans-59.7-48.2171.8-78.3176.2175.1171.7-4.2111.3L383 N391 M392 D393L383-R387 HydrophobicContact CD1-CG 4.37Å; L383-R387 VanDerWaalsContact O-CB 3.29Å; L383-R387 WeakPolarHBondContact O-CB 3.36Å; L383-R387 WeakPolarHBondContact O-CG 3.48Å; L383-R387 PolarHBondContact O-N 3.27Å; R387-N391 VanDerWaalsContact O-CA 3.31Å; R387-N391 WeakPolarHBondContact O-CA 3.44Å; R387-N391 PolarHBondContact O-N 3.49Å; R387-M392 WeakPolarHBondContact CA-O 3.45Å; R387-M392 WeakPolarHBondContact CG-O 3.27Å; R387-M392 PolarHBondContact N-O 3.4Å; R387-M392 VanDerWaalsContact N-O 3.14Å; R387-D393 IonicContact CZ-OD1 3.58Å; R387-D393 IonicContact CZ-OD2 2.78Å; R387-D393 IonicContact NE-OD1 3.04Å; R387-D393 PolarHBondContact NE-OD1 2.93Å; R387-D393 IonicContact NE-OD2 3.59Å; R387-D393 IonicContact NH2-OD1 2.75Å; R387-D393 PolarHBondContact NH2-OD1 2.85Å; R387-D393 IonicContact NH2-OD2 3.97Å
388S95.1Very high96.9Very high65 Ų6530 Ų3046%0.45514%0.144SC..Hα-helixtrans-71.8-39.2-176.5-66.50000113.7F241 N384 A385F241-S388 WeakPolarHBondContact CD1-OG 3.4Å; N384-S388 VanDerWaalsContact O-CB 3.27Å; N384-S388 WeakPolarHBondContact O-CB 3.46Å; N384-S388 PolarHBondContact O-N 3.48Å; N384-S388 PolarHBondContact O-OG 3.16Å; N384-S388 VanDerWaalsContact O-OG 3.04Å; A385-S388 PolarHBondContact O-N 2.89Å
389Y95.6Very high96.7Very high118 Ų11829.6 Ų29.646%0.46314%0.143SC..Hα-helixtrans-95.5-35.1-172.9-162.6-95.5000113.9L242 I244 F361 A385L242-Y389 HydrophobicContact CD1-CD2 4.1Å; I244-Y389 HydrophobicContact CD1-CD2 4.32Å; I244-Y389 HydrophobicContact CD1-CE2 3.45Å; I244-Y389 VanDerWaalsContact CD1-CE2 3.45Å; F361-Y389 HydrophobicContact CB-CD1 3.79Å; F361-Y389 HydrophobicContact CB-CE1 3.76Å; F361-Y389 HydrophobicContact CD1-CD1 4.01Å; F361-Y389 HydrophobicContact CD1-CG 4.46Å; F361-Y389 AromaticContact CD2-CD1 3.18Å; F361-Y389 HydrophobicContact CD2-CD1 3.18Å; F361-Y389 AromaticContact CD2-CD2 3.99Å; F361-Y389 HydrophobicContact CD2-CD2 3.99Å; F361-Y389 AromaticContact CD2-CE1 3.5Å; F361-Y389 HydrophobicContact CD2-CE1 3.5Å; F361-Y389 VanDerWaalsContact CD2-CE1 3.5Å; F361-Y389 HydrophobicContact CD2-CE2 4.24Å; F361-Y389 AromaticContact CD2-CG 3.45Å; F361-Y389 HydrophobicContact CD2-CG 3.45Å; F361-Y389 VanDerWaalsContact CD2-CG 3.45Å; F361-Y389 HydrophobicContact CE1-CD1 4.37Å; F361-Y389 HydrophobicContact CE1-CG 4.38Å; F361-Y389 AromaticContact CE2-CD1 3.61Å; F361-Y389 HydrophobicContact CE2-CD1 3.61Å; F361-Y389 AromaticContact CE2-CD2 3.77Å; F361-Y389 HydrophobicContact CE2-CD2 3.77Å; F361-Y389 HydrophobicContact CE2-CE1 4.25Å; F361-Y389 HydrophobicContact CE2-CE2 4.39Å; F361-Y389 AromaticContact CE2-CG 3.33Å; F361-Y389 HydrophobicContact CE2-CG 3.33Å; F361-Y389 AromaticContact CG-CD1 3.39Å; F361-Y389 HydrophobicContact CG-CD1 3.39Å; F361-Y389 AromaticContact CG-CE1 3.8Å; F361-Y389 HydrophobicContact CG-CE1 3.8Å; F361-Y389 HydrophobicContact CG-CG 4.03Å; F361-Y389 VanDerWaalsContact CZ-CB 3.44Å; F361-Y389 HydrophobicContact CZ-CD1 4.19Å; F361-Y389 AromaticContact CZ-CG 3.84Å; F361-Y389 HydrophobicContact CZ-CG 3.84Å; A385-Y389 WeakPolarHBondContact O-CB 3.46Å; A385-Y389 PolarHBondContact O-N 2.88Å
390R95.3Very high96.5Very high45 Ų4528.7 Ų28.717%0.1714%0.135CC..Hα-helixtrans-115.80.9-173.1-65.6-59.1-54.7-61.4-25.5113.8L360 F361 Q364 S365 L386 M392L360-R390 PolarHBondContact O-NH1 3.07Å; L360-R390 VanDerWaalsContact O-NH1 3.15Å; F361-R390 HydrophobicContact CD1-CG 4.09Å; F361-R390 WeakPolarHBondContact O-CD 3.44Å; F361-R390 PolarHBondContact O-NH1 3.13Å; Q364-R390 VanDerWaalsContact CA-NH2 3.29Å; S365-R390 PolarHBondContact O-NH2 2.95Å; L386-R390 HydrophobicContact CD2-CG 4.33Å; L386-R390 CarbonylContact O-C 3.53Å; L386-R390 WeakPolarHBondContact O-CA 3.45Å; L386-R390 WeakPolarHBondContact O-CB 3.39Å; L386-R390 PolarHBondContact O-N 3.29Å; R390-M392 HydrophobicContact CB-CB 4.47Å; R390-M392 HydrophobicContact CB-CG 3.77Å; R390-M392 HydrophobicContact CB-SD 4.06Å; R390-M392 PolarHBondContact O-N 3.4Å
391N96.2Very high96.2Very high57 Ų5726.8 Ų26.831%0.30513%0.129SC..  trans5038.4-170.9-163.924.9000112.4L386 R387 R430 T431L386-N391 PolarHBondContact O-N 2.97Å; R387-N391 VanDerWaalsContact O-CA 3.31Å; R387-N391 WeakPolarHBondContact O-CA 3.44Å; R387-N391 PolarHBondContact O-N 3.49Å; N391-R430 VanDerWaalsContact O-CB 3.25Å; N391-R430 WeakPolarHBondContact O-CB 3.28Å; N391-R430 WeakPolarHBondContact O-CG 3.27Å; N391-R430 PolarHBondContact O-N 2.98Å; N391-R430 PolarHBondContact OD1-NH1 2.96Å; N391-T431 WeakPolarHBondContact ND2-CG2 3.45Å
392M98Very high95.8Very high0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-103130.4177.3-61.9-175.376.200110.1D366 I368 L386 R387 R390 F427 Y428D366-M392 WeakPolarHBondContact O-CE 3.35Å; I368-M392 HydrophobicContact CD1-CE 3.92Å; I368-M392 HydrophobicContact CD1-SD 3.66Å; I368-M392 HydrophobicContact CG1-CE 3.87Å; I368-M392 HydrophobicContact CG1-SD 4.25Å; L386-M392 CarbonylContact C-O 3.42Å; L386-M392 HydrophobicContact CB-CB 4.27Å; L386-M392 PolarHBondContact O-N 3.27Å; R387-M392 WeakPolarHBondContact CA-O 3.45Å; R387-M392 WeakPolarHBondContact CG-O 3.27Å; R387-M392 PolarHBondContact N-O 3.4Å; R387-M392 VanDerWaalsContact N-O 3.14Å; R390-M392 HydrophobicContact CB-CB 4.47Å; R390-M392 HydrophobicContact CB-CG 3.77Å; R390-M392 HydrophobicContact CB-SD 4.06Å; R390-M392 PolarHBondContact O-N 3.4Å; M392-F427 HydrophobicContact CB-CB 4.4Å; M392-F427 HydrophobicContact CE-CB 4Å; M392-Y428 CarbonylContact C-O 3.53Å; M392-Y428 WeakPolarHBondContact CA-O 3.06Å; M392-Y428 WeakPolarHBondContact CB-O 3.23Å
393D97.9Very high95.4Very high28 Ų2831.4 Ų31.415%0.1516%0.156CC..EExtended strand (participates in β ladder)trans-90.6175.4167.4-142.3-31.6000109.9R387 F427 Y428 R430R387-D393 IonicContact CZ-OD1 3.58Å; R387-D393 IonicContact CZ-OD2 2.78Å; R387-D393 IonicContact NE-OD1 3.04Å; R387-D393 PolarHBondContact NE-OD1 2.93Å; R387-D393 IonicContact NE-OD2 3.59Å; R387-D393 IonicContact NH2-OD1 2.75Å; R387-D393 PolarHBondContact NH2-OD1 2.85Å; R387-D393 IonicContact NH2-OD2 3.97Å; D393-F427 CarbonylContact O-C 3.56Å; D393-F427 WeakPolarHBondContact O-CA 3.35Å; D393-F427 WeakPolarHBondContact O-CB 3.17Å; D393-F427 WeakPolarHBondContact O-CD1 3.17Å; D393-Y428 HydrophobicContact CB-CD1 4.36Å; D393-Y428 HydrophobicContact CB-CE1 3.67Å; D393-Y428 HydrophobicContact CB-CE2 4Å; D393-Y428 VanDerWaalsContact CB-CZ 3.46Å; D393-Y428 WeakPolarHBondContact CB-OH 3.08Å; D393-Y428 PolarHBondContact N-O 2.86Å; D393-Y428 PolarHBondContact O-N 3.48Å; D393-R430 HydrophobicContact CB-CG 3.72Å
394G98.2Very high94.8Very high7 Ų734.5 Ų34.57%0.07218%0.176CC..EExtended strand (participates in β ladder)trans-157.1164.6171.800000115.5Y378 I426Y378-G394 VanDerWaalsContact OH-C 3.23Å; Y378-G394 PolarHBondContact OH-O 3.39Å; G394-I426 CarbonylContact C-O 3.52Å; G394-I426 WeakPolarHBondContact CA-O 3.38Å
395I98.4Very high94.2Very high5 Ų534.6 Ų34.63%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-121.3152.4175.156172.9000109A425 I426 L435 E438 I493I395-A425 VanDerWaalsContact O-CA 3.31Å; I395-A425 WeakPolarHBondContact O-CA 3.26Å; I395-I426 HydrophobicContact CD1-CB 4.21Å; I395-I426 HydrophobicContact CD1-CD1 4.25Å; I395-I426 HydrophobicContact CG1-CB 3.79Å; I395-I426 PolarHBondContact N-O 2.92Å; I395-I426 PolarHBondContact O-N 2.87Å; I395-L435 HydrophobicContact CG2-CD2 3.58Å; I395-E438 HydrophobicContact CB-CG 4.18Å; I395-E438 HydrophobicContact CD1-CG 4.16Å; I395-E438 HydrophobicContact CG2-CB 4.35Å; I395-E438 HydrophobicContact CG2-CG 4.09Å; I395-E438 WeakPolarHBondContact CG2-OE2 3.23Å; I395-I493 HydrophobicContact CB-CD1 3.88Å; I395-I493 HydrophobicContact CD1-CD1 3.84Å; I395-I493 HydrophobicContact CD1-CG1 3.83Å; I395-I493 HydrophobicContact CG1-CD1 3.61Å; I395-I493 HydrophobicContact CG1-CG1 4.16Å
396F98Very high93.5Very high20 Ų2039.3 Ų39.39%0.08821%0.207CC..EExtended strand (participates in β ladder)trans-145.5134.9-174.4172.4-89.1000111.7V373 R375 Y378 A398 C424 A425 I493V373-F396 HydrophobicContact CB-CE2 4.05Å; V373-F396 HydrophobicContact CG1-CE2 4.19Å; V373-F396 WeakPolarHBondContact O-CE2 3.39Å; R375-F396 HydrophobicContact CB-CE1 4.24Å; R375-F396 HydrophobicContact CB-CZ 4.25Å; R375-F396 HydrophobicContact CG-CE1 4.47Å; R375-F396 VanDerWaalsContact NE-CD1 3.26Å; R375-F396 VanDerWaalsContact NE-CE1 3.26Å; Y378-F396 HydrophobicContact CD1-CB 3.89Å; Y378-F396 HydrophobicContact CD1-CD2 4.46Å; Y378-F396 HydrophobicContact CD1-CG 4.1Å; Y378-F396 HydrophobicContact CD2-CB 3.75Å; Y378-F396 AromaticContact CD2-CD2 3.93Å; Y378-F396 HydrophobicContact CD2-CD2 3.93Å; Y378-F396 HydrophobicContact CD2-CG 4.12Å; Y378-F396 HydrophobicContact CE1-CB 3.72Å; Y378-F396 HydrophobicContact CE1-CG 4.4Å; Y378-F396 HydrophobicContact CE2-CB 3.58Å; Y378-F396 HydrophobicContact CE2-CG 4.44Å; Y378-F396 HydrophobicContact CG-CB 3.9Å; Y378-F396 AromaticContact CG-CD2 3.85Å; Y378-F396 HydrophobicContact CG-CD2 3.85Å; Y378-F396 AromaticContact CG-CG 3.93Å; Y378-F396 HydrophobicContact CG-CG 3.93Å; F396-A398 HydrophobicContact CE1-CB 3.79Å; F396-A398 HydrophobicContact CZ-CB 4.17Å; F396-C424 WeakPolarHBondContact CA-O 3.13Å; F396-A425 HydrophobicContact CD2-CB 4.16Å; F396-I493 VanDerWaalsContact C-CD1 3.49Å
397L97Very high93Very high25 Ų2546.3 Ų46.313%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-127.4115.2175-176.363.6000108.9G423 C424 C491 L492 I493L397-G423 WeakPolarHBondContact O-CA 3.32Å; L397-C424 PolarHBondContact N-O 2.8Å; L397-C424 PolarHBondContact O-N 2.84Å; L397-C491 HydrophobicContact CD2-CB 3.83Å; L397-C491 HydrophobicContact CG-CB 4.24Å; L397-L492 WeakPolarHBondContact CD2-O 3.43Å; L397-I493 HydrophobicContact CB-CB 3.83Å; L397-I493 HydrophobicContact CB-CD1 3.9Å; L397-I493 HydrophobicContact CB-CG1 4.18Å; L397-I493 HydrophobicContact CD2-CB 4.33Å
398A95.5Very high92.4Very high0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-69.6141.517000000110.6F396 E419F396-A398 HydrophobicContact CE1-CB 3.79Å; F396-A398 HydrophobicContact CZ-CB 4.17Å; A398-E419 HydrophobicContact CB-CB 3.82Å; A398-E419 HydrophobicContact CB-CG 3.71Å
399K93.5Very high91.8Very high6 Ų645.9 Ų45.93%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-59.6147.3162.5-68.2-169.3-155.7158.50109.9K420 E422 S489 Q490K399-K420 HydrophobicContact CB-CB 4.31Å; K399-K420 PolarHBondContact O-N 3.26Å; K399-E422 WeakPolarHBondContact CB-O 3.41Å; K399-E422 WeakPolarHBondContact CD-OE1 3.05Å; K399-E422 WeakPolarHBondContact CE-OE1 3.11Å; K399-E422 PolarHBondContact N-O 3.05Å; K399-E422 IonicContact NZ-OE1 3.98Å; K399-E422 PolarHBondContact NZ-OE1 3.21Å; K399-E422 IonicContact NZ-OE2 3.11Å; K399-S489 VanDerWaalsContact CB-O 3.24Å; K399-S489 WeakPolarHBondContact CB-O 3.42Å; K399-S489 VanDerWaalsContact CG-O 3.26Å; K399-S489 WeakPolarHBondContact CG-O 3.42Å; K399-Q490 VanDerWaalsContact NZ-OE1 3.1Å
400R91.1Very high90.9Very high31 Ų3146.2 Ų46.212%0.11726%0.264CS..EExtended strand (participates in β ladder)trans-84.1147.5177.9-63.4-61.8135.1164.5-7.5110.9V414 D415 T416 E419 P442 S489R400-V414 HydrophobicContact CB-CG2 3.27Å; R400-V414 HydrophobicContact CG-CG2 3.97Å; R400-D415 WeakPolarHBondContact CB-O 3.48Å; R400-D415 WeakPolarHBondContact CD-O 3.31Å; R400-T416 PolarHBondContact NH1-O 3.47Å; R400-E419 IonicContact NH2-OE1 3.94Å; R400-P442 HydrophobicContact CG-CB 3.65Å; R400-P442 WeakPolarHBondContact CG-O 3.48Å; R400-S489 WeakPolarHBondContact O-CB 3.49Å
401A89.5Confident90.2Very high13 Ų1349.3 Ų49.311%0.10728%0.279CS..EExtended strand (participates in β ladder)trans-66.6142.5171.900000109.3I403 D415 K418A401-I403 HydrophobicContact CB-CG2 4.36Å; A401-D415 HydrophobicContact CB-CB 4.36Å; A401-D415 PolarHBondContact O-N 3.27Å; A401-K418 HydrophobicContact CB-CB 4.13Å; A401-K418 HydrophobicContact CB-CD 4.07Å; A401-K418 HydrophobicContact CB-CG 3.99Å; A401-K418 WeakPolarHBondContact CB-O 3.42Å; A401-K418 PolarHBondContact N-O 2.74Å
402V88.8Confident89.7Confident52 Ų5248.7 Ų48.732%0.31528%0.277SS..EExtended strand (participates in β ladder)trans-101.9122168.6177.80000106.3V412 K413 L488V402-V412 HydrophobicContact CG1-CB 3.74Å; V402-V412 HydrophobicContact CG1-CG2 3.33Å; V402-K413 WeakPolarHBondContact CA-O 3.37Å; V402-L488 HydrophobicContact CG1-CD1 4.45Å; V402-L488 HydrophobicContact CG2-CB 3.86Å
403I88.8Confident89.1Confident49 Ų4952.5 Ų52.525%0.25129%0.293SS..EExtended strand (participates in β ladder)trans-122.8150.9-175.162.1170.4000109.8A401 V412 K413 D415A401-I403 HydrophobicContact CB-CG2 4.36Å; I403-V412 CarbonylContact O-C 3.57Å; I403-V412 VanDerWaalsContact O-CA 3.25Å; I403-V412 WeakPolarHBondContact O-CA 3.14Å; I403-V412 WeakPolarHBondContact O-CB 3.26Å; I403-K413 HydrophobicContact CG1-CG 4.07Å; I403-K413 PolarHBondContact N-O 3.5Å; I403-K413 PolarHBondContact O-N 2.74Å; I403-D415 HydrophobicContact CD1-CB 3.94Å; I403-D415 HydrophobicContact CG1-CB 4.11Å; I403-D415 HydrophobicContact CG2-CB 4.24Å
404T86.3Confident88.5Confident81 Ų8151.8 Ų51.850%0.49729%0.29SS..EExtended strand (participates in β ladder)trans-58.2139170.6-52.80000110.5P406 P409T404-P406 WeakPolarHBondContact O-CD 3.42Å; T404-P409 HydrophobicContact CG2-CB 4.34Å; T404-P409 WeakPolarHBondContact CG2-O 3.44Å
405D83Confident87.9Confident34 Ų3453.2 Ų53.218%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-66.2123.4176-164.4-41.3000109.3N407 D408 K411 K413D405-N407 PolarHBondContact O-N 3.05Å; D405-N407 VanDerWaalsContact O-N 3.16Å; D405-N407 WeakPolarHBondContact OD1-CB 3.45Å; D405-N407 PolarHBondContact OD1-N 3.01Å; D405-D408 HydrophobicContact CB-CB 4.43Å; D405-D408 WeakPolarHBondContact CB-O 3.47Å; D405-D408 CarbonylContact O-C 3.5Å; D405-D408 VanDerWaalsContact O-C 3.31Å; D405-D408 PolarHBondContact O-N 3.14Å; D405-K411 HydrophobicContact CB-CB 4.21Å; D405-K411 PolarHBondContact N-O 2.67Å; D405-K413 IonicContact OD1-NZ 2.57Å
406P83Confident86.9Confident99 Ų9956.8 Ų56.864%0.64332%0.318SS*.THydrogen-bonded Turntrans-57-27.1176.4-24.233.7000114T404 K413T404-P406 WeakPolarHBondContact O-CD 3.42Å; P406-K413 VanDerWaalsContact CD-NZ 3.35Å
407N87.9Confident86.1Confident147 Ų14763.2 Ų63.279%0.78635%0.348SS*.THydrogen-bonded Turntrans-93.5-19.6-178.1-60.4-40.2000113.1D405D405-N407 PolarHBondContact O-N 3.05Å; D405-N407 VanDerWaalsContact O-N 3.16Å; D405-N407 WeakPolarHBondContact OD1-CB 3.45Å; D405-N407 PolarHBondContact OD1-N 3.01Å
408D84.4Confident85.6Confident40 Ų4068 Ų6821%0.21437%0.368CS..EExtended strand (participates in β ladder)trans-145.494.7-178.4-173.9-14.4000109.9D405 T410 K411D405-D408 HydrophobicContact CB-CB 4.43Å; D405-D408 WeakPolarHBondContact CB-O 3.47Å; D405-D408 CarbonylContact O-C 3.5Å; D405-D408 VanDerWaalsContact O-C 3.31Å; D405-D408 PolarHBondContact O-N 3.14Å; D408-T410 PolarHBondContact O-N 3.26Å; D408-T410 WeakPolarHBondContact OD1-CB 3.26Å; D408-T410 PolarHBondContact OD1-N 2.9Å; D408-T410 VanDerWaalsContact OD1-N 3.09Å; D408-T410 PolarHBondContact OD1-OG1 3.41Å; D408-K411 HydrophobicContact CB-CB 4.35Å; D408-K411 HydrophobicContact CB-CD 4.32Å; D408-K411 HydrophobicContact CB-CG 4.43Å; D408-K411 PolarHBondContact O-N 3.24Å; D408-K411 VanDerWaalsContact OD2-CD 3.25Å; D408-K411 WeakPolarHBondContact OD2-CD 3.45Å; D408-K411 WeakPolarHBondContact OD2-CE 3.25Å; D408-K411 IonicContact OD2-NZ 2.77Å; D408-K411 PolarHBondContact OD2-NZ 2.91Å
409P81.5Confident85.4Confident107 Ų10772 Ų7270%0.69539%0.387SS*.EExtended strand (participates in β ladder)trans-59.5-15.3-177.2-25.134.4000115T404T404-P409 HydrophobicContact CG2-CB 4.34Å; T404-P409 WeakPolarHBondContact CG2-O 3.44Å
410T77.1Confident85Confident125 Ų12576 Ų7677%0.76740%0.404SS*.EExtended strand (participates in β ladder)trans-83.2-14.6177.672.20000113D408D408-T410 PolarHBondContact O-N 3.26Å; D408-T410 WeakPolarHBondContact OD1-CB 3.26Å; D408-T410 PolarHBondContact OD1-N 2.9Å; D408-T410 VanDerWaalsContact OD1-N 3.09Å; D408-T410 PolarHBondContact OD1-OG1 3.41Å
411K80.5Confident84.9Confident110 Ų11075.6 Ų75.648%0.47841%0.409SS..EExtended strand (participates in β ladder)trans-107.3154.5179.4-67.8-179.9-173.5135.50110.7D405 D408D405-K411 HydrophobicContact CB-CB 4.21Å; D405-K411 PolarHBondContact N-O 2.67Å; D408-K411 HydrophobicContact CB-CB 4.35Å; D408-K411 HydrophobicContact CB-CD 4.32Å; D408-K411 HydrophobicContact CB-CG 4.43Å; D408-K411 PolarHBondContact O-N 3.24Å; D408-K411 VanDerWaalsContact OD2-CD 3.25Å; D408-K411 WeakPolarHBondContact OD2-CD 3.45Å; D408-K411 WeakPolarHBondContact OD2-CE 3.25Å; D408-K411 IonicContact OD2-NZ 2.77Å; D408-K411 PolarHBondContact OD2-NZ 2.91Å
412V85Confident85.2Confident44 Ų4475 Ų7527%0.26740%0.404SS..EExtended strand (participates in β ladder)trans-121.5155.2167.8-49.30000109.7V402 I403 Q485 L488V402-V412 HydrophobicContact CG1-CB 3.74Å; V402-V412 HydrophobicContact CG1-CG2 3.33Å; I403-V412 CarbonylContact O-C 3.57Å; I403-V412 VanDerWaalsContact O-CA 3.25Å; I403-V412 WeakPolarHBondContact O-CA 3.14Å; I403-V412 WeakPolarHBondContact O-CB 3.26Å; V412-Q485 HydrophobicContact CG2-CB 3.53Å; V412-Q485 HydrophobicContact CG2-CG 3.65Å; V412-Q485 PolarHBondContact O-OE1 3.46Å; V412-L488 HydrophobicContact CG2-CD1 4.49Å
413K85Confident85.6Confident79 Ų7972.5 Ų72.534%0.34339%0.389SS..EExtended strand (participates in β ladder)trans-134.8157.6177.967.5-176.4-177.8-171.30110.1V402 I403 D405 P406V402-K413 WeakPolarHBondContact CA-O 3.37Å; I403-K413 HydrophobicContact CG1-CG 4.07Å; I403-K413 PolarHBondContact N-O 3.5Å; I403-K413 PolarHBondContact O-N 2.74Å; D405-K413 IonicContact OD1-NZ 2.57Å; P406-K413 VanDerWaalsContact CD-NZ 3.35Å
414V85.7Confident86Confident14 Ų1470.1 Ų70.19%0.08538%0.377CS..EExtended strand (participates in β ladder)trans-74.9128.7169.759.90000109.8R400 T416 H446R400-V414 HydrophobicContact CB-CG2 3.27Å; R400-V414 HydrophobicContact CG-CG2 3.97Å; V414-T416 PolarHBondContact O-N 3.29Å; V414-H446 HydrophobicContact CG1-CB 3.77Å
415D85.3Confident86.5Confident36 Ų3666.3 Ų66.319%0.19335%0.354CS..EExtended strand (participates in β ladder)trans-81.3108.5168.9-171.1-33.8000108.6R400 A401 I403 E417 K418R400-D415 WeakPolarHBondContact CB-O 3.48Å; R400-D415 WeakPolarHBondContact CD-O 3.31Å; A401-D415 HydrophobicContact CB-CB 4.36Å; A401-D415 PolarHBondContact O-N 3.27Å; I403-D415 HydrophobicContact CD1-CB 3.94Å; I403-D415 HydrophobicContact CG1-CB 4.11Å; I403-D415 HydrophobicContact CG2-CB 4.24Å; D415-E417 PolarHBondContact O-N 2.94Å; D415-E417 PolarHBondContact OD1-N 3.06Å; D415-K418 HydrophobicContact CB-CB 3.96Å; D415-K418 PolarHBondContact OD1-N 2.95Å; D415-K418 WeakPolarHBondContact OD2-CB 3.26Å
416T77.3Confident87.3Confident81 Ų8164.7 Ų64.750%0.49735%0.345SS..EExtended strand (participates in β ladder)trans-67.7-17.5-177.348.70000113.1R400 V414R400-T416 PolarHBondContact NH1-O 3.47Å; V414-T416 PolarHBondContact O-N 3.29Å
417E82.3Confident88Confident155 Ų15560 Ų6072%0.72431%0.314SS*.EExtended strand (participates in β ladder)trans-102.8-40.7-177.6-60.6-169163.200112.6D415D415-E417 PolarHBondContact O-N 2.94Å; D415-E417 PolarHBondContact OD1-N 3.06Å
418K87.1Confident88.5Confident125 Ų12553.8 Ų53.854%0.54328%0.28SS..EExtended strand (participates in β ladder)trans-82.4122.7-175.6-169.5179.5179.7-177.30112.1A401 D415A401-K418 HydrophobicContact CB-CB 4.13Å; A401-K418 HydrophobicContact CB-CD 4.07Å; A401-K418 HydrophobicContact CB-CG 3.99Å; A401-K418 WeakPolarHBondContact CB-O 3.42Å; A401-K418 PolarHBondContact N-O 2.74Å; D415-K418 HydrophobicContact CB-CB 3.96Å; D415-K418 PolarHBondContact OD1-N 2.95Å; D415-K418 WeakPolarHBondContact OD2-CB 3.26Å
419E89.9Confident89.1Confident83 Ų8352.7 Ų52.739%0.38828%0.276SS..EExtended strand (participates in β ladder)trans-80.8147.4175.1-59.7-173.1161.900112A398 R400 G421A398-E419 HydrophobicContact CB-CB 3.82Å; A398-E419 HydrophobicContact CB-CG 3.71Å; R400-E419 IonicContact NH2-OE1 3.94Å; E419-G421 VanDerWaalsContact C-N 3.3Å
420K86Confident89.8Confident91 Ų9152.8 Ų52.840%0.39626%0.262SS..EExtended strand (participates in β ladder)trans-73.8-25.1170.4-168.2179.5-176.1-175.40111.9Y328 K399Y328-K420 VanDerWaalsContact OH-CE 3.31Å; Y328-K420 WeakPolarHBondContact OH-CE 3.44Å; Y328-K420 PolarHBondContact OH-NZ 2.84Å; K399-K420 HydrophobicContact CB-CB 4.31Å; K399-K420 PolarHBondContact O-N 3.26Å
421G89.7Confident90.5Very high22 Ų2251.4 Ų51.423%0.22725%0.253CS..EExtended strand (participates in β ladder)trans105.6-7.1177.700000115.1R375 E419R375-G421 PolarHBondContact N-O 3.12Å; E419-G421 VanDerWaalsContact C-N 3.3Å
422E94.7Very high91.1Very high0 Ų047.9 Ų47.90%024%0.237CC..EExtended strand (participates in β ladder)trans-130.2162.2169.765.283.7-160.700111.2A325 M327 Y328 E372 V373 K399A325-E422 HydrophobicContact CB-CB 3.99Å; A325-E422 HydrophobicContact CB-CG 4.27Å; M327-E422 HydrophobicContact CE-CB 3.81Å; M327-E422 HydrophobicContact CE-CG 4.04Å; M327-E422 HydrophobicContact CG-CG 4.29Å; M327-E422 HydrophobicContact SD-CB 3.88Å; M327-E422 HydrophobicContact SD-CG 3.45Å; M327-E422 WeakPolarHBondContact SD-CG 3.31Å; Y328-E422 HydrophobicContact CE2-CG 3.72Å; Y328-E422 VanDerWaalsContact OH-CD 3.28Å; Y328-E422 PolarHBondContact OH-OE1 2.95Å; E372-E422 WeakPolarHBondContact CA-OE2 3.35Å; V373-E422 CarbonylContact O-C 3.6Å; V373-E422 WeakPolarHBondContact O-CA 3.4Å; V373-E422 WeakPolarHBondContact O-CB 3.47Å; K399-E422 WeakPolarHBondContact CB-O 3.41Å; K399-E422 WeakPolarHBondContact CD-OE1 3.05Å; K399-E422 WeakPolarHBondContact CE-OE1 3.11Å; K399-E422 PolarHBondContact N-O 3.05Å; K399-E422 IonicContact NZ-OE1 3.98Å; K399-E422 PolarHBondContact NZ-OE1 3.21Å; K399-E422 IonicContact NZ-OE2 3.11Å
423G96.3Very high91.5Very high0 Ų046.1 Ų46.10%023%0.226CC..EExtended strand (participates in β ladder)trans-174.9-140.717200000114.2E372 V373 L397E372-G423 PolarHBondContact N-O 3.16Å; V373-G423 PolarHBondContact N-O 3.09Å; V373-G423 PolarHBondContact O-N 2.94Å; L397-G423 WeakPolarHBondContact O-CA 3.32Å
424C97.3Very high92Very high0 Ų045.9 Ų45.90%023%0.226CC..EExtended strand (participates in β ladder)trans-114.6144.6-174.9-60.50000110.9L370 F396 L397 I493L370-C424 VanDerWaalsContact O-CA 3.32Å; L370-C424 WeakPolarHBondContact O-CA 3.23Å; F396-C424 WeakPolarHBondContact CA-O 3.13Å; L397-C424 PolarHBondContact N-O 2.8Å; L397-C424 PolarHBondContact O-N 2.84Å; C424-I493 HydrophobicContact CB-CG2 3.76Å
425A98.3Very high92.5Very high0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-125.3149.4176.400000111.2C369 L370 V373 Y378 I395 F396 F427 N513C369-A425 WeakPolarHBondContact CA-O 3.16Å; L370-A425 HydrophobicContact CB-CB 4.44Å; L370-A425 PolarHBondContact N-O 3.41Å; L370-A425 PolarHBondContact O-N 3.02Å; V373-A425 HydrophobicContact CG2-CB 4.31Å; Y378-A425 HydrophobicContact CD2-CB 3.95Å; Y378-A425 HydrophobicContact CE2-CB 4.21Å; I395-A425 VanDerWaalsContact O-CA 3.31Å; I395-A425 WeakPolarHBondContact O-CA 3.26Å; F396-A425 HydrophobicContact CD2-CB 4.16Å; A425-F427 HydrophobicContact CB-CD2 4.48Å; A425-F427 HydrophobicContact CB-CE2 3.79Å; A425-F427 HydrophobicContact CB-CZ 4.26Å; A425-N513 PolarHBondContact O-ND2 3.27Å
426I98.5Very high92.8Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-124.4126.1166.7-61.8172000107.2F367 I368 G394 I395 I493 F497 V511 N513F367-I426 HydrophobicContact CD1-CG2 4.32Å; I368-I426 CarbonylContact O-C 3.54Å; I368-I426 WeakPolarHBondContact O-CA 3.21Å; G394-I426 CarbonylContact C-O 3.52Å; G394-I426 WeakPolarHBondContact CA-O 3.38Å; I395-I426 HydrophobicContact CD1-CB 4.21Å; I395-I426 HydrophobicContact CD1-CD1 4.25Å; I395-I426 HydrophobicContact CG1-CB 3.79Å; I395-I426 PolarHBondContact N-O 2.92Å; I395-I426 PolarHBondContact O-N 2.87Å; I426-I493 HydrophobicContact CD1-CG1 4.42Å; I426-I493 HydrophobicContact CD1-CG2 3.98Å; I426-I493 HydrophobicContact CG1-CG2 4.02Å; I426-F497 HydrophobicContact CG2-CZ 4.28Å; I426-V511 HydrophobicContact CD1-CG1 4.42Å; I426-V511 WeakPolarHBondContact CD1-O 3.44Å; I426-V511 HydrophobicContact CG2-CG1 4.36Å; I426-N513 HydrophobicContact CD1-CB 3.87Å; I426-N513 HydrophobicContact CG1-CB 3.63Å
427F98.6Very high93.6Very high0 Ų046.8 Ų46.80%023%0.232CC..EExtended strand (participates in β ladder)trans-109.1146.8167.7-56.8-90000110.3F367 I368 L370 Y378 L382 L383 L386 M392 D393 A425F367-F427 CarbonylContact C-O 3.3Å; F367-F427 VanDerWaalsContact CA-O 3.26Å; F367-F427 WeakPolarHBondContact CA-O 3.24Å; I368-F427 HydrophobicContact CB-CB 4.16Å; I368-F427 HydrophobicContact CB-CD2 4.31Å; I368-F427 HydrophobicContact CG2-CD2 4.41Å; I368-F427 PolarHBondContact N-O 3.4Å; I368-F427 PolarHBondContact O-N 3Å; L370-F427 HydrophobicContact CD1-CD2 4.41Å; L370-F427 HydrophobicContact CD1-CE2 3.88Å; L370-F427 HydrophobicContact CG-CE2 4.43Å; Y378-F427 HydrophobicContact CD2-CE1 4.2Å; Y378-F427 HydrophobicContact CD2-CE2 4.5Å; Y378-F427 AromaticContact CD2-CZ 3.63Å; Y378-F427 HydrophobicContact CD2-CZ 3.63Å; Y378-F427 AromaticContact CE2-CE1 3.77Å; Y378-F427 HydrophobicContact CE2-CE1 3.77Å; Y378-F427 AromaticContact CE2-CZ 3.63Å; Y378-F427 HydrophobicContact CE2-CZ 3.63Å; L382-F427 HydrophobicContact CB-CE1 4.4Å; L382-F427 HydrophobicContact CB-CE2 4.4Å; L382-F427 HydrophobicContact CB-CZ 3.69Å; L382-F427 HydrophobicContact CD1-CZ 4.44Å; L383-F427 HydrophobicContact CB-CE1 4.46Å; L383-F427 HydrophobicContact CD1-CE1 4.17Å; L386-F427 HydrophobicContact CB-CD1 4.37Å; L386-F427 HydrophobicContact CD1-CB 4.22Å; L386-F427 HydrophobicContact CD1-CD1 3.57Å; L386-F427 HydrophobicContact CD1-CD2 3.66Å; L386-F427 HydrophobicContact CD1-CE1 3.77Å; L386-F427 HydrophobicContact CD1-CE2 3.84Å; L386-F427 HydrophobicContact CD1-CG 3.52Å; L386-F427 HydrophobicContact CD1-CZ 3.89Å; M392-F427 HydrophobicContact CB-CB 4.4Å; M392-F427 HydrophobicContact CE-CB 4Å; D393-F427 CarbonylContact O-C 3.56Å; D393-F427 WeakPolarHBondContact O-CA 3.35Å; D393-F427 WeakPolarHBondContact O-CB 3.17Å; D393-F427 WeakPolarHBondContact O-CD1 3.17Å; A425-F427 HydrophobicContact CB-CD2 4.48Å; A425-F427 HydrophobicContact CB-CE2 3.79Å; A425-F427 HydrophobicContact CB-CZ 4.26Å
428Y98Very high94.3Very high18 Ų1843.6 Ų43.67%0.07122%0.217CC..EExtended strand (participates in β ladder)trans-141145.4-17663-84.6000112D366 F367 M392 D393 R430 F433 L435 F497D366-Y428 CarbonylContact O-C 3.59Å; D366-Y428 WeakPolarHBondContact O-CA 3.48Å; F367-Y428 VanDerWaalsContact CE1-CB 3.5Å; M392-Y428 CarbonylContact C-O 3.53Å; M392-Y428 WeakPolarHBondContact CA-O 3.06Å; M392-Y428 WeakPolarHBondContact CB-O 3.23Å; D393-Y428 HydrophobicContact CB-CD1 4.36Å; D393-Y428 HydrophobicContact CB-CE1 3.67Å; D393-Y428 HydrophobicContact CB-CE2 4Å; D393-Y428 VanDerWaalsContact CB-CZ 3.46Å; D393-Y428 WeakPolarHBondContact CB-OH 3.08Å; D393-Y428 PolarHBondContact N-O 2.86Å; D393-Y428 PolarHBondContact O-N 3.48Å; Y428-R430 HydrophobicContact CE2-CG 4.42Å; Y428-R430 PolarHBondContact O-N 3.09Å; Y428-F433 HydrophobicContact CD2-CB 4.22Å; Y428-L435 HydrophobicContact CE1-CB 4.17Å; Y428-L435 HydrophobicContact CE1-CD2 4.46Å; Y428-L435 HydrophobicContact CE2-CB 4.17Å; Y428-L435 VanDerWaalsContact OH-CB 3.29Å; Y428-L435 WeakPolarHBondContact OH-CB 3.44Å; Y428-F497 HydrophobicContact CD1-CD1 4.36Å; Y428-F497 AromaticContact CD1-CE1 3.35Å; Y428-F497 HydrophobicContact CD1-CE1 3.35Å; Y428-F497 AromaticContact CD1-CZ 3.88Å; Y428-F497 HydrophobicContact CD1-CZ 3.88Å; Y428-F497 HydrophobicContact CD2-CD1 4.07Å; Y428-F497 AromaticContact CD2-CE1 3.84Å; Y428-F497 HydrophobicContact CD2-CE1 3.84Å; Y428-F497 AromaticContact CE1-CE1 3.72Å; Y428-F497 HydrophobicContact CE1-CE1 3.72Å; Y428-F497 HydrophobicContact CE1-CZ 4.41Å; Y428-F497 HydrophobicContact CE2-CD1 4.45Å; Y428-F497 HydrophobicContact CE2-CE1 4.17Å; Y428-F497 HydrophobicContact CG-CD1 4.02Å; Y428-F497 AromaticContact CG-CE1 3.41Å; Y428-F497 HydrophobicContact CG-CE1 3.41Å; Y428-F497 VanDerWaalsContact CG-CE1 3.41Å; Y428-F497 HydrophobicContact CG-CZ 4.16Å
429C96.7Very high94.6Very high17 Ų1739 Ų3912%0.11520%0.2CC..EExtended strand (participates in β ladder)trans-70.9110.8-179.2-1740000112.1D366 T431 R432 F433D366-C429 PolarHBondContact O-N 2.86Å; C429-T431 VanDerWaalsContact C-N 3.28Å; C429-T431 PolarHBondContact O-N 3.11Å; C429-T431 PolarHBondContact SG-OG1 2.74Å; C429-R432 PolarHBondContact O-N 3.22Å; C429-R432 VanDerWaalsContact O-N 3.16Å; C429-F433 PolarHBondContact O-N 3.05Å
430R95.7Very high94.8Very high108 Ų10836 Ų3641%0.40819%0.192SC..THydrogen-bonded Turntrans-69.5-21.3-174.1-64.6170.565.1-142.93.6114.3N391 D393 Y428 R432 K500N391-R430 VanDerWaalsContact O-CB 3.25Å; N391-R430 WeakPolarHBondContact O-CB 3.28Å; N391-R430 WeakPolarHBondContact O-CG 3.27Å; N391-R430 PolarHBondContact O-N 2.98Å; N391-R430 PolarHBondContact OD1-NH1 2.96Å; D393-R430 HydrophobicContact CB-CG 3.72Å; Y428-R430 HydrophobicContact CE2-CG 4.42Å; Y428-R430 PolarHBondContact O-N 3.09Å; R430-R432 VanDerWaalsContact C-N 3.28Å; R430-K500 WeakPolarHBondContact O-CE 3.49Å; R430-K500 PolarHBondContact O-NZ 3.46Å
431T93.4Very high95.2Very high96 Ų9632.1 Ų32.159%0.58918%0.176SC*.THydrogen-bonded Turntrans-72.1-29.1175.9560000111.4N391 C429N391-T431 WeakPolarHBondContact ND2-CG2 3.45Å; C429-T431 VanDerWaalsContact C-N 3.28Å; C429-T431 PolarHBondContact O-N 3.11Å; C429-T431 PolarHBondContact SG-OG1 2.74Å
432R92.8Very high95.4Very high37 Ų3733.6 Ų33.614%0.1418%0.181CC..THydrogen-bonded Turntrans-106.1-32.1-175-172.1175.3173.2-175.13.9113.4S313 H315 D366 C429 R430 E499 K500S313-R432 PolarHBondContact O-NH2 3.16Å; H315-R432 PolarHBondContact O-NH1 3.22Å; H315-R432 PolarHBondContact O-NH2 3.06Å; D366-R432 VanDerWaalsContact CG-NH1 3.28Å; D366-R432 WeakPolarHBondContact OD1-CD 3.41Å; D366-R432 IonicContact OD1-CZ 2.89Å; D366-R432 IonicContact OD1-NE 3.87Å; D366-R432 IonicContact OD1-NH1 3.69Å; D366-R432 PolarHBondContact OD1-NH1 3.42Å; D366-R432 IonicContact OD2-NH1 2.98Å; D366-R432 PolarHBondContact OD2-NH1 2.89Å; C429-R432 PolarHBondContact O-N 3.22Å; C429-R432 VanDerWaalsContact O-N 3.16Å; R430-R432 VanDerWaalsContact C-N 3.28Å; R432-E499 HydrophobicContact CG-CG 4.18Å; R432-E499 IonicContact CZ-OE1 3.83Å; R432-E499 IonicContact NE-OE1 3.83Å; R432-E499 PolarHBondContact NE-OE1 3.48Å; R432-E499 IonicContact NH2-OE1 3.44Å; R432-E499 PolarHBondContact NH2-OE1 2.96Å; R432-E499 CarbonylContact O-C 3.52Å; R432-E499 WeakPolarHBondContact O-CA 3.47Å; R432-K500 PolarHBondContact O-N 2.78Å
433F93.7Very high95.4Very high6 Ų633.9 Ų33.93%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-124.1143.6-176.3-62.9-78.1000112.3L316 D366 F367 Y428 C429 F497 R498 E499 L509L316-F433 HydrophobicContact CD2-CE2 4.18Å; L316-F433 HydrophobicContact CD2-CZ 3.65Å; D366-F433 HydrophobicContact CB-CE2 4.02Å; F367-F433 AromaticContact CE2-CD2 3.94Å; F367-F433 HydrophobicContact CE2-CD2 3.94Å; F367-F433 HydrophobicContact CE2-CE1 4.27Å; F367-F433 AromaticContact CE2-CE2 3.67Å; F367-F433 HydrophobicContact CE2-CE2 3.67Å; F367-F433 HydrophobicContact CE2-CG 4.37Å; F367-F433 AromaticContact CE2-CZ 3.87Å; F367-F433 HydrophobicContact CE2-CZ 3.87Å; F367-F433 HydrophobicContact CZ-CD1 4.08Å; F367-F433 AromaticContact CZ-CD2 3.82Å; F367-F433 HydrophobicContact CZ-CD2 3.82Å; F367-F433 HydrophobicContact CZ-CE1 4.26Å; F367-F433 HydrophobicContact CZ-CE2 4.02Å; F367-F433 AromaticContact CZ-CG 3.87Å; F367-F433 HydrophobicContact CZ-CG 3.87Å; F367-F433 HydrophobicContact CZ-CZ 4.25Å; Y428-F433 HydrophobicContact CD2-CB 4.22Å; C429-F433 PolarHBondContact O-N 3.05Å; F433-F497 HydrophobicContact CB-CB 4.46Å; F433-F497 HydrophobicContact CB-CD1 4.45Å; F433-F497 HydrophobicContact CD1-CB 4.28Å; F433-R498 WeakPolarHBondContact CA-O 3.44Å; F433-E499 HydrophobicContact CD1-CB 4.16Å; F433-E499 HydrophobicContact CE1-CB 3.86Å; F433-E499 HydrophobicContact CE1-CG 4.11Å; F433-L509 HydrophobicContact CE1-CD2 4.36Å
434E94.1Very high95.3Very high74 Ų7433.9 Ų33.935%0.34618%0.183SC..EExtended strand (participates in β ladder)trans-105.9142.2161.162.2178.7-165.500110.3F497 R498E434-F497 CarbonylContact O-C 3.59Å; E434-F497 WeakPolarHBondContact O-CA 3.42Å; E434-R498 HydrophobicContact CG-CB 3.69Å; E434-R498 PolarHBondContact N-O 3.03Å; E434-R498 PolarHBondContact O-N 2.64Å; E434-R498 WeakPolarHBondContact OE1-CD 3.42Å; E434-R498 IonicContact OE1-CZ 2.91Å; E434-R498 IonicContact OE1-NE 3.79Å; E434-R498 IonicContact OE1-NH1 3.28Å; E434-R498 PolarHBondContact OE1-NH1 2.77Å
435L96Very high95.2Very high54 Ų5434 Ų3428%0.28318%0.184SC..EExtended strand (participates in β ladder)trans-83.1115.7170.7176.470.5000108.1I395 Y428 S437 F497I395-L435 HydrophobicContact CG2-CD2 3.58Å; Y428-L435 HydrophobicContact CE1-CB 4.17Å; Y428-L435 HydrophobicContact CE1-CD2 4.46Å; Y428-L435 HydrophobicContact CE2-CB 4.17Å; Y428-L435 VanDerWaalsContact OH-CB 3.29Å; Y428-L435 WeakPolarHBondContact OH-CB 3.44Å; L435-S437 WeakPolarHBondContact CD1-O 3.43Å; L435-F497 HydrophobicContact CB-CD1 4.22Å; L435-F497 HydrophobicContact CB-CE1 4Å; L435-F497 HydrophobicContact CD1-CD1 4.07Å; L435-F497 HydrophobicContact CD1-CE1 3.49Å; L435-F497 VanDerWaalsContact CD1-CE1 3.49Å; L435-F497 HydrophobicContact CD1-CZ 3.78Å; L435-F497 HydrophobicContact CG-CE1 4.34Å
436V92.9Very high94.9Very high58 Ų5838 Ų3835%0.35220%0.202SC..EExtended strand (participates in β ladder)trans-83.9-42.2176.4177.80000110.4V496 R498 L508 Y544V436-V496 HydrophobicContact CB-CB 4.44Å; V436-V496 HydrophobicContact CB-CG1 4.33Å; V436-V496 WeakPolarHBondContact CB-O 3.34Å; V436-V496 PolarHBondContact N-O 2.81Å; V436-R498 HydrophobicContact CG2-CB 3.83Å; V436-L508 HydrophobicContact CG2-CD2 4.11Å; V436-Y544 HydrophobicContact CG1-CE1 4.47Å
437S94.5Very high94.7Very high39 Ų3939.9 Ų39.927%0.27321%0.21SC..EExtended strand (participates in β ladder)trans-156.6143.8179-171.60000112L435 V496 Y544L435-S437 WeakPolarHBondContact CD1-O 3.43Å; S437-V496 PolarHBondContact N-O 2.57Å; S437-V496 PolarHBondContact O-N 2.78Å; S437-Y544 WeakPolarHBondContact CB-OH 3.45Å; S437-Y544 PolarHBondContact OG-OH 3.32Å
438E95.6Very high94.6Very high87 Ų8739.9 Ų39.941%0.40721%0.21SC..EExtended strand (participates in β ladder)trans-101.7131.2169.2-178.8179.7164.600109.4I395I395-E438 HydrophobicContact CB-CG 4.18Å; I395-E438 HydrophobicContact CD1-CG 4.16Å; I395-E438 HydrophobicContact CG2-CB 4.35Å; I395-E438 HydrophobicContact CG2-CG 4.09Å; I395-E438 WeakPolarHBondContact CG2-OE2 3.23Å
439C94.6Very high94.3Very high28 Ų2841.7 Ų41.719%0.18923%0.225CC..EExtended strand (participates in β ladder)trans-147.9177.4179.457.20000110.7S494 L540C439-S494 CarbonylContact C-O 3.59Å; C439-S494 PolarHBondContact N-O 3.28Å; C439-S494 CarbonylContact O-C 3.49Å; C439-S494 PolarHBondContact O-N 3.04Å; C439-S494 VanDerWaalsContact SG-CB 3.56Å; C439-S494 PolarHBondContact SG-O 2.84Å; C439-L540 VanDerWaalsContact SG-CD2 3.5Å
440G93.5Very high94.2Very high21 Ų2146.1 Ų46.122%0.21625%0.247CC..EExtended strand (participates in β ladder)trans160.8-178.1179.700000113.7L492 Y536G440-L492 CarbonylContact C-O 3.45Å; G440-L492 WeakPolarHBondContact CA-O 3.5Å; G440-Y536 PolarHBondContact N-OH 3.49Å; G440-Y536 VanDerWaalsContact N-OH 3.16Å; G440-Y536 PolarHBondContact O-OH 2.91Å
441L95.4Very high94.2Very high9 Ų941.7 Ų41.75%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-116.5115.5175.4-59.9177.6000108.9S443 Y447 C491 L492 T532 Y536L441-S443 PolarHBondContact O-N 3.07Å; L441-Y447 HydrophobicContact CD1-CD1 4.03Å; L441-Y447 HydrophobicContact CD1-CD2 4.49Å; L441-Y447 HydrophobicContact CD1-CG 3.9Å; L441-Y447 HydrophobicContact CD2-CD1 4.45Å; L441-Y447 HydrophobicContact CD2-CD2 3.45Å; L441-Y447 VanDerWaalsContact CD2-CD2 3.45Å; L441-Y447 HydrophobicContact CD2-CE2 4.09Å; L441-Y447 HydrophobicContact CD2-CG 3.65Å; L441-Y447 HydrophobicContact CG-CG 4.41Å; L441-C491 CarbonylContact O-C 3.52Å; L441-C491 VanDerWaalsContact O-CA 3.25Å; L441-C491 WeakPolarHBondContact O-CA 3.24Å; L441-C491 VanDerWaalsContact O-CB 3.31Å; L441-C491 WeakPolarHBondContact O-CB 3.29Å; L441-L492 HydrophobicContact CB-CB 4.07Å; L441-L492 HydrophobicContact CD1-CD2 4.16Å; L441-L492 HydrophobicContact CG-CB 4.4Å; L441-L492 HydrophobicContact CG-CD2 4.26Å; L441-L492 PolarHBondContact N-O 2.91Å; L441-L492 PolarHBondContact O-N 3.11Å; L441-T532 HydrophobicContact CD1-CG2 4.48Å; L441-Y536 HydrophobicContact CD1-CD1 4.41Å; L441-Y536 HydrophobicContact CD1-CD2 4.17Å; L441-Y536 HydrophobicContact CD1-CG 3.96Å; L441-Y536 HydrophobicContact CD2-CD2 3.53Å; L441-Y536 HydrophobicContact CD2-CE2 3.51Å; L441-Y536 HydrophobicContact CD2-CG 4.13Å; L441-Y536 HydrophobicContact CG-CD1 4.3Å; L441-Y536 HydrophobicContact CG-CD2 3.98Å; L441-Y536 HydrophobicContact CG-CE1 4.42Å; L441-Y536 HydrophobicContact CG-CE2 4.11Å; L441-Y536 HydrophobicContact CG-CG 4.06Å
442P92.9Very high94.3Very high54 Ų5441.9 Ų41.935%0.35124%0.235SC..SBendtrans-56.9-31.6172.4-25.734.8000112.7R400R400-P442 HydrophobicContact CG-CB 3.65Å; R400-P442 WeakPolarHBondContact CG-O 3.48Å
443S94.4Very high94.4Very high5 Ų545.6 Ų45.64%0.03525%0.253CS..  trans-145.2123.5171.6168.10000110L441 H446 Y447 L488 Q490L441-S443 PolarHBondContact O-N 3.07Å; S443-H446 WeakPolarHBondContact OG-CB 3.48Å; S443-H446 PolarHBondContact OG-N 3.16Å; S443-H446 VanDerWaalsContact OG-N 3.13Å; S443-Y447 PolarHBondContact O-N 3.35Å; S443-L488 WeakPolarHBondContact CB-O 3.45Å; S443-L488 PolarHBondContact OG-O 3.24Å; S443-Q490 WeakPolarHBondContact CA-O 3.37Å
444I95.3Very high94.4Very high0 Ų045.3 Ų45.30%025%0.251CS..Hα-helixtrans-64.1-47.5178.7-64168.5000109.9Y447 A448 Q490 L492 A514 F516 Q529 T532 V533I444-Y447 PolarHBondContact O-N 3.29Å; I444-A448 PolarHBondContact O-N 2.99Å; I444-Q490 WeakPolarHBondContact CG1-O 3.32Å; I444-Q490 PolarHBondContact N-O 3.46Å; I444-L492 HydrophobicContact CD1-CB 4.37Å; I444-L492 HydrophobicContact CG1-CB 4.13Å; I444-A514 HydrophobicContact CD1-CB 4.38Å; I444-F516 HydrophobicContact CD1-CD1 4.23Å; I444-F516 HydrophobicContact CD1-CE1 4.02Å; I444-Q529 HydrophobicContact CG2-CB 4.08Å; I444-Q529 HydrophobicContact CG2-CG 4.02Å; I444-T532 HydrophobicContact CG2-CG2 3.74Å; I444-T532 WeakPolarHBondContact O-CG2 3.11Å; I444-V533 HydrophobicContact CD1-CG2 4Å; I444-V533 HydrophobicContact CG1-CG2 4.36Å; I444-V533 HydrophobicContact CG2-CG2 4.29Å
445L93.7Very high94.4Very high2 Ų242.8 Ų42.81%0.0124%0.242CC..Hα-helixtrans-71.9-32.2-177.5-69-168.8000113.4Y447 A448 S449 I484 S487 L488 I525 I528 Q529L445-Y447 VanDerWaalsContact C-N 3.3Å; L445-Y447 PolarHBondContact O-N 2.96Å; L445-A448 WeakPolarHBondContact O-CB 3.49Å; L445-A448 PolarHBondContact O-N 3.34Å; L445-S449 PolarHBondContact O-N 2.99Å; L445-I484 HydrophobicContact CD1-CG2 4.31Å; L445-S487 WeakPolarHBondContact CD1-OG 3.46Å; L445-L488 HydrophobicContact CB-CD2 3.96Å; L445-I525 HydrophobicContact CD1-CG2 4.24Å; L445-I528 HydrophobicContact CD2-CG2 3.88Å; L445-Q529 HydrophobicContact CD2-CG 4.03Å
446H92.5Very high94.2Very high84 Ų8443.7 Ų43.739%0.38925%0.25SC..Hα-helixtrans-64-37.9171.9-178.173.6000111.8V414 S443 S449 N450V414-H446 HydrophobicContact CG1-CB 3.77Å; S443-H446 WeakPolarHBondContact OG-CB 3.48Å; S443-H446 PolarHBondContact OG-N 3.16Å; S443-H446 VanDerWaalsContact OG-N 3.13Å; H446-S449 PolarHBondContact O-N 3.23Å; H446-S449 PolarHBondContact O-OG 3.16Å; H446-N450 PolarHBondContact O-ND2 3.17Å
447Y95.2Very high94Very high41 Ų4143 Ų4316%0.16124%0.244CC..Hα-helixtrans-65.6-42.3172.3177.4-87.2000111.2L441 S443 I444 L445 S449 N450 V451 T532 H535 Y536L441-Y447 HydrophobicContact CD1-CD1 4.03Å; L441-Y447 HydrophobicContact CD1-CD2 4.49Å; L441-Y447 HydrophobicContact CD1-CG 3.9Å; L441-Y447 HydrophobicContact CD2-CD1 4.45Å; L441-Y447 HydrophobicContact CD2-CD2 3.45Å; L441-Y447 VanDerWaalsContact CD2-CD2 3.45Å; L441-Y447 HydrophobicContact CD2-CE2 4.09Å; L441-Y447 HydrophobicContact CD2-CG 3.65Å; L441-Y447 HydrophobicContact CG-CG 4.41Å; S443-Y447 PolarHBondContact O-N 3.35Å; I444-Y447 PolarHBondContact O-N 3.29Å; L445-Y447 VanDerWaalsContact C-N 3.3Å; L445-Y447 PolarHBondContact O-N 2.96Å; Y447-S449 VanDerWaalsContact C-N 3.29Å; Y447-S449 PolarHBondContact O-N 2.84Å; Y447-N450 PolarHBondContact O-N 3.25Å; Y447-V451 HydrophobicContact CD1-CG2 4.2Å; Y447-V451 HydrophobicContact CE1-CG2 3.69Å; Y447-V451 PolarHBondContact O-N 3.24Å; Y447-T532 HydrophobicContact CD1-CG2 3.5Å; Y447-T532 VanDerWaalsContact CD1-CG2 3.5Å; Y447-T532 HydrophobicContact CE1-CG2 4.14Å; Y447-T532 HydrophobicContact CG-CG2 4.5Å; Y447-H535 AromaticContact CE1-CD2 3.89Å; Y447-H535 PolarHBondContact OH-CD2 2.87Å; Y447-Y536 AromaticContact CE2-CD2 3.94Å; Y447-Y536 HydrophobicContact CE2-CD2 3.94Å; Y447-Y536 AromaticContact CZ-CD2 3.93Å
448A95.3Very high93.7Very high0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-56.4-40.9176.400000112.5I444 L445 N450 V451 L454 S455 I528 T532I444-A448 PolarHBondContact O-N 2.99Å; L445-A448 WeakPolarHBondContact O-CB 3.49Å; L445-A448 PolarHBondContact O-N 3.34Å; A448-N450 PolarHBondContact O-N 3.05Å; A448-V451 PolarHBondContact O-N 3.45Å; A448-L454 HydrophobicContact CB-CB 4.08Å; A448-L454 CarbonylContact O-C 3.53Å; A448-L454 WeakPolarHBondContact O-CB 3.33Å; A448-S455 PolarHBondContact O-N 3.21Å; A448-S455 VanDerWaalsContact O-N 3.07Å; A448-I528 HydrophobicContact CB-CG2 4.36Å; A448-T532 HydrophobicContact CB-CG2 4Å; A448-T532 WeakPolarHBondContact CB-OG1 3.46Å
449S93.4Very high93.3Very high56 Ų5642.5 Ų42.539%0.39224%0.24SC..Hα-helixtrans-65.5-20.6178.963.60000113.8L445 H446 Y447 S455L445-S449 PolarHBondContact O-N 2.99Å; H446-S449 PolarHBondContact O-N 3.23Å; H446-S449 PolarHBondContact O-OG 3.16Å; Y447-S449 VanDerWaalsContact C-N 3.29Å; Y447-S449 PolarHBondContact O-N 2.84Å; S449-S455 WeakPolarHBondContact O-CB 3.34Å
450N94.4Very high92.8Very high109 Ų10945.6 Ų45.658%0.58326%0.255SS*.THydrogen-bonded Turntrans-94.8-3.1178.8-71.5-72.1000113.6H446 Y447 A448H446-N450 PolarHBondContact O-ND2 3.17Å; Y447-N450 PolarHBondContact O-N 3.25Å; A448-N450 PolarHBondContact O-N 3.05Å
451V95.8Very high92Very high16 Ų1646.3 Ų46.310%0.09725%0.252CS..SBendtrans-109.1116.6178.3174.40000109.1Y447 A448 F453 L454 S455Y447-V451 HydrophobicContact CD1-CG2 4.2Å; Y447-V451 HydrophobicContact CE1-CG2 3.69Å; Y447-V451 PolarHBondContact O-N 3.24Å; A448-V451 PolarHBondContact O-N 3.45Å; V451-F453 HydrophobicContact CG1-CD1 3.59Å; V451-F453 HydrophobicContact CG1-CE1 3.36Å; V451-F453 HydrophobicContact CG1-CZ 4.22Å; V451-F453 PolarHBondContact O-N 2.79Å; V451-F453 VanDerWaalsContact O-N 3.12Å; V451-L454 HydrophobicContact CB-CB 4.12Å; V451-L454 HydrophobicContact CB-CD1 3.91Å; V451-L454 HydrophobicContact CB-CG 4.24Å; V451-L454 HydrophobicContact CG1-CB 4.26Å; V451-L454 HydrophobicContact CG1-CD1 3.87Å; V451-L454 HydrophobicContact CG1-CG 3.98Å; V451-L454 HydrophobicContact CG2-CD1 4.35Å; V451-L454 PolarHBondContact O-N 3.19Å; V451-S455 PolarHBondContact O-N 3.04Å; V451-S455 PolarHBondContact O-OG 2.94Å
452P94.5Very high90.8Very high100 Ų10047.7 Ų47.765%0.64926%0.26SS*.Hα-helixtrans-50.9-44.1-166.3-31.535000116.4S455 T456P452-S455 WeakPolarHBondContact CA-OG 3.47Å; P452-S455 PolarHBondContact O-OG 3.19Å; P452-T456 WeakPolarHBondContact O-CB 3.35Å; P452-T456 PolarHBondContact O-N 3.42Å; P452-T456 VanDerWaalsContact O-N 3.09Å; P452-T456 PolarHBondContact O-OG1 2.99Å
453F94.1Very high89.4Confident114 Ų11448 Ų4850%0.526%0.264SS..Hα-helixtrans-76.8-30.3-179.378.4-88.5000112.8V451 M457 H535V451-F453 HydrophobicContact CG1-CD1 3.59Å; V451-F453 HydrophobicContact CG1-CE1 3.36Å; V451-F453 HydrophobicContact CG1-CZ 4.22Å; V451-F453 PolarHBondContact O-N 2.79Å; V451-F453 VanDerWaalsContact O-N 3.12Å; F453-M457 PolarHBondContact O-N 3.32Å; F453-M457 VanDerWaalsContact O-N 3.16Å; F453-H535 AromaticContact CE1-CE1 3.64Å; F453-H535 AromaticContact CE1-ND1 3.49Å; F453-H535 WeakPolarHBondContact CE1-ND1 3.43Å; F453-H535 HydrophobicContact CZ-CB 4.11Å; F453-H535 AromaticContact CZ-CG 3.78Å; F453-H535 AromaticContact CZ-ND1 3.45Å; F453-H535 WeakPolarHBondContact CZ-ND1 3.47Å
454L94.2Very high87.7Confident0 Ų051.5 Ų51.50%028%0.284CS..Hα-helixtrans-76.8-38.5176.4-66.5174.6000111.1A448 V451 T456 M457 L458 R531 T532 H535A448-L454 HydrophobicContact CB-CB 4.08Å; A448-L454 CarbonylContact O-C 3.53Å; A448-L454 WeakPolarHBondContact O-CB 3.33Å; V451-L454 HydrophobicContact CB-CB 4.12Å; V451-L454 HydrophobicContact CB-CD1 3.91Å; V451-L454 HydrophobicContact CB-CG 4.24Å; V451-L454 HydrophobicContact CG1-CB 4.26Å; V451-L454 HydrophobicContact CG1-CD1 3.87Å; V451-L454 HydrophobicContact CG1-CG 3.98Å; V451-L454 HydrophobicContact CG2-CD1 4.35Å; V451-L454 PolarHBondContact O-N 3.19Å; L454-T456 VanDerWaalsContact C-N 3.34Å; L454-M457 WeakPolarHBondContact O-CB 3.41Å; L454-M457 PolarHBondContact O-N 3.24Å; L454-L458 WeakPolarHBondContact O-CB 3.15Å; L454-L458 PolarHBondContact O-N 2.8Å; L454-R531 HydrophobicContact CD2-CB 4.06Å; L454-T532 HydrophobicContact CD1-CG2 4.02Å; L454-H535 HydrophobicContact CD1-CB 4.19Å
455S93.6Very high85.7Confident22 Ų2254 Ų5415%0.15430%0.3CS..Hα-helixtrans-65.1-4017567.10000110.9A448 S449 V451 P452 M457 L458 N459A448-S455 PolarHBondContact O-N 3.21Å; A448-S455 VanDerWaalsContact O-N 3.07Å; S449-S455 WeakPolarHBondContact O-CB 3.34Å; V451-S455 PolarHBondContact O-N 3.04Å; V451-S455 PolarHBondContact O-OG 2.94Å; P452-S455 WeakPolarHBondContact CA-OG 3.47Å; P452-S455 PolarHBondContact O-OG 3.19Å; S455-M457 VanDerWaalsContact C-N 3.34Å; S455-M457 PolarHBondContact O-N 3Å; S455-L458 PolarHBondContact O-N 2.89Å; S455-N459 WeakPolarHBondContact O-CB 3.45Å; S455-N459 PolarHBondContact O-N 3.48Å; S455-N459 PolarHBondContact O-ND2 3.4Å
456T92.6Very high83.6Confident72 Ų7261.1 Ų61.144%0.44234%0.337SS..Hα-helixtrans-59.3-44.7171.4-57.50000111.4P452 L454 L458 N459 N460P452-T456 WeakPolarHBondContact O-CB 3.35Å; P452-T456 PolarHBondContact O-N 3.42Å; P452-T456 VanDerWaalsContact O-N 3.09Å; P452-T456 PolarHBondContact O-OG1 2.99Å; L454-T456 VanDerWaalsContact C-N 3.34Å; T456-L458 PolarHBondContact O-N 3.35Å; T456-N459 PolarHBondContact O-N 3.28Å; T456-N460 WeakPolarHBondContact O-CB 2.9Å; T456-N460 PolarHBondContact O-N 3.15Å; T456-N460 PolarHBondContact O-ND2 2.98Å; T456-N460 PolarHBondContact O-OD1 3.43Å
457M89.2Confident81.6Confident45 Ų4561.2 Ų61.222%0.22235%0.347CS..Hα-helixtrans-62.4-41.1176.7-172.8-178.8174.900112.5F453 L454 S455 F461 I527 I528 R531F453-M457 PolarHBondContact O-N 3.32Å; F453-M457 VanDerWaalsContact O-N 3.16Å; L454-M457 WeakPolarHBondContact O-CB 3.41Å; L454-M457 PolarHBondContact O-N 3.24Å; S455-M457 VanDerWaalsContact C-N 3.34Å; S455-M457 PolarHBondContact O-N 3Å; M457-F461 PolarHBondContact O-N 2.89Å; M457-I527 HydrophobicContact CE-CG2 3.8Å; M457-I528 HydrophobicContact CE-CG1 3.66Å; M457-I528 HydrophobicContact CG-CD1 4.5Å; M457-I528 HydrophobicContact CG-CG1 4Å; M457-I528 HydrophobicContact SD-CG1 3.92Å; M457-R531 VanDerWaalsContact SD-CD 3.58Å; M457-R531 PolarHBondContact SD-NH1 2.98Å
458L88.1Confident79.2Confident15 Ų1567.2 Ų67.28%0.07938%0.376CS..Hα-helixtrans-64.8-43.9176.1-176.362.3000111.7L454 S455 T456 F461 N462 I484 I528L454-L458 WeakPolarHBondContact O-CB 3.15Å; L454-L458 PolarHBondContact O-N 2.8Å; S455-L458 PolarHBondContact O-N 2.89Å; T456-L458 PolarHBondContact O-N 3.35Å; L458-F461 PolarHBondContact O-N 3.38Å; L458-N462 PolarHBondContact O-N 3.02Å; L458-I484 HydrophobicContact CD1-CD1 3.93Å; L458-I484 HydrophobicContact CD1-CG1 4.38Å; L458-I528 HydrophobicContact CB-CD1 4.48Å; L458-I528 HydrophobicContact CD1-CD1 3.94Å
459N87.1Confident76.7Confident99 Ų9969.9 Ų69.953%0.52940%0.404SS..Hα-helixtrans-67.1-40.9178.9-68.8-18.3000112.3S455 T456 F461 N462 S463S455-N459 WeakPolarHBondContact O-CB 3.45Å; S455-N459 PolarHBondContact O-N 3.48Å; S455-N459 PolarHBondContact O-ND2 3.4Å; T456-N459 PolarHBondContact O-N 3.28Å; N459-F461 PolarHBondContact O-N 3.32Å; N459-N462 WeakPolarHBondContact O-CB 3.5Å; N459-N462 PolarHBondContact O-N 3.01Å; N459-N462 VanDerWaalsContact O-N 3.15Å; N459-S463 PolarHBondContact O-N 3.24Å
460N84.4Confident74.5Confident94 Ų9473 Ų7350%0.50343%0.426SS..Hα-helixtrans-62.5-32.9177.2-72.7-8.1000112.3T456 S463 T464T456-N460 WeakPolarHBondContact O-CB 2.9Å; T456-N460 PolarHBondContact O-N 3.15Å; T456-N460 PolarHBondContact O-ND2 2.98Å; T456-N460 PolarHBondContact O-OD1 3.43Å; N460-S463 WeakPolarHBondContact CA-OG 3.39Å; N460-S463 PolarHBondContact O-OG 3.26Å; N460-T464 PolarHBondContact O-N 3.35Å; N460-T464 VanDerWaalsContact O-N 3.16Å; N460-T464 PolarHBondContact O-OG1 2.89Å
461F75.6Confident71.7Confident35 Ų3574.6 Ų74.615%0.15444%0.44CS..Hα-helixtrans-70.3-37.5175.3-179.7-119.7000112.2M457 L458 N459 T464 T465 T480 I484 P524 I525 I528M457-F461 PolarHBondContact O-N 2.89Å; L458-F461 PolarHBondContact O-N 3.38Å; N459-F461 PolarHBondContact O-N 3.32Å; F461-T464 PolarHBondContact O-OG1 3.44Å; F461-T465 HydrophobicContact CE2-CG2 4.2Å; F461-T465 PolarHBondContact O-OG1 3.35Å; F461-T480 HydrophobicContact CD1-CG2 3.65Å; F461-T480 HydrophobicContact CE1-CG2 3.16Å; F461-T480 HydrophobicContact CE2-CG2 4.31Å; F461-T480 HydrophobicContact CG-CG2 4.43Å; F461-T480 HydrophobicContact CZ-CG2 3.52Å; F461-I484 HydrophobicContact CD1-CD1 4.36Å; F461-P524 HydrophobicContact CD1-CB 4.42Å; F461-P524 HydrophobicContact CD2-CB 3.55Å; F461-P524 HydrophobicContact CD2-CG 4.12Å; F461-P524 HydrophobicContact CE1-CB 4.09Å; F461-P524 HydrophobicContact CE2-CB 3.22Å; F461-P524 HydrophobicContact CE2-CG 3.39Å; F461-P524 HydrophobicContact CG-CB 4.17Å; F461-P524 HydrophobicContact CZ-CB 3.52Å; F461-P524 HydrophobicContact CZ-CG 3.76Å; F461-I525 HydrophobicContact CD1-CG1 4.36Å; F461-I525 HydrophobicContact CE1-CD1 4.29Å; F461-I525 HydrophobicContact CE1-CG1 3.65Å; F461-I525 HydrophobicContact CZ-CG1 4.44Å; F461-I528 HydrophobicContact CB-CD1 4.29Å; F461-I528 HydrophobicContact CD1-CD1 4.41Å
462N71.1Confident69.1Low38 Ų3877.1 Ų77.120%0.20347%0.469CS..Hα-helixtrans-66.3-36.8172.9-96-0.9000112.9L458 N459 T465 L466 E481 I484L458-N462 PolarHBondContact O-N 3.02Å; N459-N462 WeakPolarHBondContact O-CB 3.5Å; N459-N462 PolarHBondContact O-N 3.01Å; N459-N462 VanDerWaalsContact O-N 3.15Å; N462-T465 PolarHBondContact O-OG1 3.15Å; N462-L466 WeakPolarHBondContact O-CG 3.23Å; N462-E481 PolarHBondContact ND2-OE2 3.47Å; N462-I484 WeakPolarHBondContact OD1-CD1 3.5Å
463S62.7Low66.3Low62 Ų6281.2 Ų81.243%0.43448%0.479SS..Hα-helixtrans-75.7-41.7-178.662.10000113.9N459 N460 T465 L466 S467N459-S463 PolarHBondContact O-N 3.24Å; N460-S463 WeakPolarHBondContact CA-OG 3.39Å; N460-S463 PolarHBondContact O-OG 3.26Å; S463-T465 PolarHBondContact O-N 3.34Å; S463-L466 PolarHBondContact O-N 3.43Å; S463-S467 PolarHBondContact O-N 3.21Å; S463-S467 PolarHBondContact O-OG 2.83Å
464T58.5Low63.7Low77 Ų7781.2 Ų81.247%0.47249%0.493SS..Hα-helixtrans-63.4-28.4-179.624.90000113.4N460 F461 S467N460-T464 PolarHBondContact O-N 3.35Å; N460-T464 VanDerWaalsContact O-N 3.16Å; N460-T464 PolarHBondContact O-OG1 2.89Å; F461-T464 PolarHBondContact O-OG1 3.44Å; T464-S467 PolarHBondContact O-OG 3.31Å
465T53.8Low61.1Low54 Ų5490.4 Ų90.433%0.33153%0.533SS..Hα-helixtrans-84.3-24.6179.749.30000112.8F461 N462 S463 T480F461-T465 HydrophobicContact CE2-CG2 4.2Å; F461-T465 PolarHBondContact O-OG1 3.35Å; N462-T465 PolarHBondContact O-OG1 3.15Å; S463-T465 PolarHBondContact O-N 3.34Å; T465-T480 WeakPolarHBondContact CB-OG1 3.09Å; T465-T480 HydrophobicContact CG2-CG2 4.27Å; T465-T480 WeakPolarHBondContact CG2-OG1 3.25Å; T465-T480 WeakPolarHBondContact OG1-CB 3.25Å; T465-T480 PolarHBondContact OG1-OG1 2.86Å
466L50.5Low58.8Low151 Ų15193.3 Ų93.379%0.79157%0.567SS**Hα-helixtrans-73.8-28169.9-72167.1000112.7N462 S463N462-L466 WeakPolarHBondContact O-CG 3.23Å; S463-L466 PolarHBondContact O-N 3.43Å
467S49.2Very low56.9Low86 Ų8697.7 Ų97.760%0.60158%0.583SS**Hα-helixtrans-80-23.1179.150.90000114.7S463 T464 G469S463-S467 PolarHBondContact O-N 3.21Å; S463-S467 PolarHBondContact O-OG 2.83Å; T464-S467 PolarHBondContact O-OG 3.31Å; S467-G469 VanDerWaalsContact C-N 3.3Å; S467-G469 PolarHBondContact O-N 3.36Å
468H45.1Very low55.7Low166 Ų16698.9 Ų98.977%0.76959%0.588SS**SBendtrans-93.560.8173.9-75.4-64000111
469G43.7Very low55.1Low57 Ų57102.9 Ų102.959%0.58861%0.609SS**  trans-69.5127.416600000111.1S467S467-G469 VanDerWaalsContact C-N 3.3Å; S467-G469 PolarHBondContact O-N 3.36Å
470S45.3Very low54.7Low121 Ų12199.3 Ų99.385%0.84659%0.591SS**  trans7463.8144.4-46.60000118.7
471T35.9Very low54.6Low142 Ų14298.3 Ų98.387%0.87158%0.583SS**  trans-128.2107.9146.853.20000109.2
472G41.1Very low55.1Low69 Ų6999 Ų9971%0.71159%0.59SS**  trans-61.2137.3-163.500000114.8
473H36.2Very low55.8Low186 Ų18697.6 Ų97.686%0.86158%0.583SS**  trans-142.8128.1145.7-88.6-68.9000109.5F475H473-F475 PolarHBondContact O-N 3.22Å
474S40.6Very low57Low114 Ų11495.1 Ų95.180%0.79757%0.565SS**SBendtrans-54.8115.1179.3-57.80000112
475F39.2Very low58.4Low193 Ų19393.2 Ų93.285%0.84655%0.55SS**SBendtrans170.671.6140.2-96.9-70.2000108.5H473 E477H473-F475 PolarHBondContact O-N 3.22Å; F475-E477 PolarHBondContact O-N 2.75Å
476G44Very low60Low84 Ų8495.1 Ų95.187%0.86655%0.554SS**  trans3046.6164.700000117.5E478G476-E478 PolarHBondContact O-N 3.2Å
477E53.4Low61.9Low163 Ų16388 Ų8876%0.76252%0.516SS*.PPolyproline II helixtrans-66.8119.6-175.1-72.9-170.7150.600108.2F475 N479F475-E477 PolarHBondContact O-N 2.75Å; E477-N479 PolarHBondContact O-N 3.24Å
478E64.4Low64Low71 Ų7184.9 Ų84.933%0.33249%0.493SS..PPolyproline II helixtrans-57.4134.8172-68.7-176.6172.200108.8G476 T482 H483 K486G476-E478 PolarHBondContact O-N 3.2Å; E478-T482 HydrophobicContact CB-CG2 4.11Å; E478-T482 HydrophobicContact CG-CG2 4.27Å; E478-H483 PolarHBondContact O-NE2 3.37Å; E478-H483 IonicContact OE2-CE1 2.78Å; E478-H483 IonicContact OE2-ND1 3.96Å; E478-K486 IonicContact OE1-NZ 2.8Å; E478-K486 PolarHBondContact OE1-NZ 2.9Å; E478-K486 IonicContact OE2-NZ 3.52Å; E478-K486 PolarHBondContact OE2-NZ 2.92Å
479N75.9Confident66.2Low99 Ų9977.4 Ų77.453%0.52946%0.459SS..PPolyproline II helixtrans-65.2157.4178.669.39.1000111.2E477 E481 T482 H483E477-N479 PolarHBondContact O-N 3.24Å; N479-E481 PolarHBondContact O-N 2.83Å; N479-E481 VanDerWaalsContact O-N 3.16Å; N479-T482 WeakPolarHBondContact O-CB 3.25Å; N479-T482 PolarHBondContact O-N 2.9Å; N479-T482 VanDerWaalsContact OD1-CB 3.24Å; N479-T482 WeakPolarHBondContact OD1-CB 3.49Å; N479-T482 PolarHBondContact OD1-N 3.22Å; N479-T482 PolarHBondContact OD1-OG1 2.66Å; N479-H483 PolarHBondContact O-N 2.77Å
480T78.6Confident68.5Low24 Ų2475.1 Ų75.115%0.14743%0.433CS..Hα-helixtrans-49.2-42.6178.8-57.10000113.3F461 T465 T482 H483 I484F461-T480 HydrophobicContact CD1-CG2 3.65Å; F461-T480 HydrophobicContact CE1-CG2 3.16Å; F461-T480 HydrophobicContact CE2-CG2 4.31Å; F461-T480 HydrophobicContact CG-CG2 4.43Å; F461-T480 HydrophobicContact CZ-CG2 3.52Å; T465-T480 WeakPolarHBondContact CB-OG1 3.09Å; T465-T480 HydrophobicContact CG2-CG2 4.27Å; T465-T480 WeakPolarHBondContact CG2-OG1 3.25Å; T465-T480 WeakPolarHBondContact OG1-CB 3.25Å; T465-T480 PolarHBondContact OG1-OG1 2.86Å; T480-T482 PolarHBondContact O-N 3.16Å; T480-H483 WeakPolarHBondContact O-CB 3.5Å; T480-H483 PolarHBondContact O-N 2.85Å; T480-H483 VanDerWaalsContact O-N 3.17Å; T480-I484 HydrophobicContact CG2-CD1 4.32Å; T480-I484 PolarHBondContact O-N 3.15Å
481E82.7Confident70.9Confident73 Ų7369.3 Ų69.334%0.34139%0.393SS..Hα-helixtrans-59.1-46.3178.7-172.459.5-154.100111N462 N479 H483 I484 Q485N462-E481 PolarHBondContact ND2-OE2 3.47Å; N479-E481 PolarHBondContact O-N 2.83Å; N479-E481 VanDerWaalsContact O-N 3.16Å; E481-H483 VanDerWaalsContact C-N 3.29Å; E481-H483 PolarHBondContact O-N 3.34Å; E481-I484 WeakPolarHBondContact O-CB 3.1Å; E481-I484 PolarHBondContact O-N 3.41Å; E481-I484 VanDerWaalsContact O-N 3.11Å; E481-Q485 HydrophobicContact CG-CG 4.43Å; E481-Q485 VanDerWaalsContact O-CG 3.26Å; E481-Q485 WeakPolarHBondContact O-CG 3.42Å; E481-Q485 PolarHBondContact O-N 3.49Å; E481-Q485 PolarHBondContact OE1-NE2 2.87Å
482T84.1Confident73.7Confident49 Ų4962.6 Ų62.630%0.30135%0.352SS..Hα-helixtrans-58.5-41.2176.5-61.40000111.7E478 N479 T480 Q485 K486E478-T482 HydrophobicContact CB-CG2 4.11Å; E478-T482 HydrophobicContact CG-CG2 4.27Å; N479-T482 WeakPolarHBondContact O-CB 3.25Å; N479-T482 PolarHBondContact O-N 2.9Å; N479-T482 VanDerWaalsContact OD1-CB 3.24Å; N479-T482 WeakPolarHBondContact OD1-CB 3.49Å; N479-T482 PolarHBondContact OD1-N 3.22Å; N479-T482 PolarHBondContact OD1-OG1 2.66Å; T480-T482 PolarHBondContact O-N 3.16Å; T482-Q485 PolarHBondContact O-N 3.41Å; T482-K486 HydrophobicContact CG2-CD 4.12Å; T482-K486 WeakPolarHBondContact O-CB 3.25Å; T482-K486 WeakPolarHBondContact O-CG 3.38Å; T482-K486 PolarHBondContact O-N 3.43Å
483H87Confident76.4Confident9 Ų959.3 Ų59.34%0.04232%0.318CS..Hα-helixtrans-65.6-40.2176.3-69.7-43.7000112.6E478 N479 T480 E481 S487 Y517 H519 S521 A522 I525E478-H483 PolarHBondContact O-NE2 3.37Å; E478-H483 IonicContact OE2-CE1 2.78Å; E478-H483 IonicContact OE2-ND1 3.96Å; N479-H483 PolarHBondContact O-N 2.77Å; T480-H483 WeakPolarHBondContact O-CB 3.5Å; T480-H483 PolarHBondContact O-N 2.85Å; T480-H483 VanDerWaalsContact O-N 3.17Å; E481-H483 VanDerWaalsContact C-N 3.29Å; E481-H483 PolarHBondContact O-N 3.34Å; H483-S487 VanDerWaalsContact O-CB 3.25Å; H483-S487 WeakPolarHBondContact O-CB 3.4Å; H483-S487 PolarHBondContact O-N 3.35Å; H483-S487 PolarHBondContact O-OG 2.89Å; H483-Y517 HydrophobicContact CB-CE1 3.86Å; H483-Y517 AromaticContact CG-CE1 3.99Å; H483-Y517 AromaticContact ND1-CE1 3.62Å; H483-Y517 AromaticContact ND1-CZ 3.8Å; H483-Y517 PolarHBondContact ND1-OH 3.03Å; H483-H519 AromaticContact CE1-CD2 3.68Å; H483-H519 AromaticContact CE1-CE1 3.44Å; H483-H519 PolarHBondContact CE1-CE1 2.49Å; H483-H519 VanDerWaalsContact CE1-CE1 3.44Å; H483-H519 AromaticContact CE1-CG 3.38Å; H483-H519 AromaticContact CE1-ND1 3.22Å; H483-H519 PolarHBondContact CE1-ND1 3.26Å; H483-H519 AromaticContact CE1-NE2 3.73Å; H483-H519 AromaticContact ND1-CG 3.93Å; H483-H519 AromaticContact NE2-CE1 3.76Å; H483-H519 AromaticContact NE2-ND1 3.55Å; H483-S521 PolarHBondContact NE2-OG 3.4Å; H483-S521 VanDerWaalsContact NE2-OG 3.1Å; H483-A522 HydrophobicContact CB-CB 4.44Å; H483-I525 VanDerWaalsContact C-CD1 3.47Å; H483-I525 HydrophobicContact CB-CD1 3.4Å
484I87.9Confident79.3Confident10 Ų1050.5 Ų50.55%0.05128%0.277CS..Hα-helixtrans-61.3-49.9173.7-70.3176.1000109.9L445 L458 F461 N462 T480 E481 K486 S487 L488 I525L445-I484 HydrophobicContact CD1-CG2 4.31Å; L458-I484 HydrophobicContact CD1-CD1 3.93Å; L458-I484 HydrophobicContact CD1-CG1 4.38Å; F461-I484 HydrophobicContact CD1-CD1 4.36Å; N462-I484 WeakPolarHBondContact OD1-CD1 3.5Å; T480-I484 HydrophobicContact CG2-CD1 4.32Å; T480-I484 PolarHBondContact O-N 3.15Å; E481-I484 WeakPolarHBondContact O-CB 3.1Å; E481-I484 PolarHBondContact O-N 3.41Å; E481-I484 VanDerWaalsContact O-N 3.11Å; I484-K486 VanDerWaalsContact C-N 3.34Å; I484-K486 PolarHBondContact O-N 3.23Å; I484-S487 WeakPolarHBondContact CA-OG 3.36Å; I484-S487 PolarHBondContact O-N 2.82Å; I484-S487 VanDerWaalsContact O-N 3.07Å; I484-S487 PolarHBondContact O-OG 3.48Å; I484-L488 PolarHBondContact O-N 2.86Å; I484-I525 HydrophobicContact CG1-CD1 3.86Å; I484-I525 HydrophobicContact CG1-CG1 4.35Å
485Q87.6Confident81.9Confident36 Ų3645 Ų4517%0.16824%0.239CC..Hα-helixtrans-60.5-41.8-177.8-65.4-52.4-8.600112.7V412 E481 T482 L488V412-Q485 HydrophobicContact CG2-CB 3.53Å; V412-Q485 HydrophobicContact CG2-CG 3.65Å; V412-Q485 PolarHBondContact O-OE1 3.46Å; E481-Q485 HydrophobicContact CG-CG 4.43Å; E481-Q485 VanDerWaalsContact O-CG 3.26Å; E481-Q485 WeakPolarHBondContact O-CG 3.42Å; E481-Q485 PolarHBondContact O-N 3.49Å; E481-Q485 PolarHBondContact OE1-NE2 2.87Å; T482-Q485 PolarHBondContact O-N 3.41Å; Q485-L488 WeakPolarHBondContact O-CB 3.33Å
486K86.7Confident84.5Confident95 Ų9535.9 Ų35.941%0.41320%0.199SC..Hα-helixtrans-68.1-34.6175.2-71.7178.4-179.1-177.70113.1E478 T482 I484 S489 Y517E478-K486 IonicContact OE1-NZ 2.8Å; E478-K486 PolarHBondContact OE1-NZ 2.9Å; E478-K486 IonicContact OE2-NZ 3.52Å; E478-K486 PolarHBondContact OE2-NZ 2.92Å; T482-K486 HydrophobicContact CG2-CD 4.12Å; T482-K486 WeakPolarHBondContact O-CB 3.25Å; T482-K486 WeakPolarHBondContact O-CG 3.38Å; T482-K486 PolarHBondContact O-N 3.43Å; I484-K486 VanDerWaalsContact C-N 3.34Å; I484-K486 PolarHBondContact O-N 3.23Å; K486-S489 PolarHBondContact O-OG 3.4Å; K486-Y517 HydrophobicContact CB-CE2 3.87Å
487S91.1Very high86.8Confident0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-80.9-11.7-178.462.60000114.3L445 H483 I484 S489 Q490L445-S487 WeakPolarHBondContact CD1-OG 3.46Å; H483-S487 VanDerWaalsContact O-CB 3.25Å; H483-S487 WeakPolarHBondContact O-CB 3.4Å; H483-S487 PolarHBondContact O-N 3.35Å; H483-S487 PolarHBondContact O-OG 2.89Å; I484-S487 WeakPolarHBondContact CA-OG 3.36Å; I484-S487 PolarHBondContact O-N 2.82Å; I484-S487 VanDerWaalsContact O-N 3.07Å; I484-S487 PolarHBondContact O-OG 3.48Å; S487-S489 PolarHBondContact O-N 3.35Å; S487-S489 VanDerWaalsContact O-N 3.11Å; S487-Q490 WeakPolarHBondContact O-CG 3.11Å; S487-Q490 PolarHBondContact O-N 2.9Å
488L92.4Very high88.6Confident21 Ų2127.1 Ų27.111%0.1113%0.132CC..THydrogen-bonded Turntrans-54-29.2172.8-75.4-177.5000113.3V402 V412 S443 L445 I484 Q485 Q490V402-L488 HydrophobicContact CG1-CD1 4.45Å; V402-L488 HydrophobicContact CG2-CB 3.86Å; V412-L488 HydrophobicContact CG2-CD1 4.49Å; S443-L488 WeakPolarHBondContact CB-O 3.45Å; S443-L488 PolarHBondContact OG-O 3.24Å; L445-L488 HydrophobicContact CB-CD2 3.96Å; I484-L488 PolarHBondContact O-N 2.86Å; Q485-L488 WeakPolarHBondContact O-CB 3.33Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; L488-Q490 PolarHBondContact O-N 2.85Å
489S91.8Very high89.8Confident9 Ų926.5 Ų26.56%0.06313%0.13CC..THydrogen-bonded Turntrans-72.6-16.6-179.963.30000114.6K399 R400 K486 S487 C491K399-S489 VanDerWaalsContact CB-O 3.24Å; K399-S489 WeakPolarHBondContact CB-O 3.42Å; K399-S489 VanDerWaalsContact CG-O 3.26Å; K399-S489 WeakPolarHBondContact CG-O 3.42Å; R400-S489 WeakPolarHBondContact O-CB 3.49Å; K486-S489 PolarHBondContact O-OG 3.4Å; S487-S489 PolarHBondContact O-N 3.35Å; S487-S489 VanDerWaalsContact O-N 3.11Å; S489-C491 PolarHBondContact O-N 2.91Å
490Q93.4Very high90.4Very high9 Ų927 Ų274%0.04213%0.127CC..  trans-71.5124.7-173.1-59.5-64.820.200111.7K399 S443 I444 S487 L488 H515 F516K399-Q490 VanDerWaalsContact NZ-OE1 3.1Å; S443-Q490 WeakPolarHBondContact CA-O 3.37Å; I444-Q490 WeakPolarHBondContact CG1-O 3.32Å; I444-Q490 PolarHBondContact N-O 3.46Å; S487-Q490 WeakPolarHBondContact O-CG 3.11Å; S487-Q490 PolarHBondContact O-N 2.9Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; L488-Q490 PolarHBondContact O-N 2.85Å; Q490-H515 PolarHBondContact NE2-O 3.22Å; Q490-H515 PolarHBondContact OE1-O 2.8Å; Q490-F516 PolarHBondContact NE2-O 3.26Å
491C94.5Very high90.3Very high0 Ų028.5 Ų28.50%014%0.138CC..  trans-105.6164.8-17766.10000112.2L397 L441 S489L397-C491 HydrophobicContact CD2-CB 3.83Å; L397-C491 HydrophobicContact CG-CB 4.24Å; L441-C491 CarbonylContact O-C 3.52Å; L441-C491 VanDerWaalsContact O-CA 3.25Å; L441-C491 WeakPolarHBondContact O-CA 3.24Å; L441-C491 VanDerWaalsContact O-CB 3.31Å; L441-C491 WeakPolarHBondContact O-CB 3.29Å; S489-C491 PolarHBondContact O-N 2.91Å
492L96Very high89.3Confident0 Ų032.3 Ų32.30%017%0.167CC..EExtended strand (participates in β ladder)trans-122.9124.2168.9175.374.3000107.6L397 G440 L441 I444 A514 V533 Y536 L537 L556L397-L492 WeakPolarHBondContact CD2-O 3.43Å; G440-L492 CarbonylContact C-O 3.45Å; G440-L492 WeakPolarHBondContact CA-O 3.5Å; L441-L492 HydrophobicContact CB-CB 4.07Å; L441-L492 HydrophobicContact CD1-CD2 4.16Å; L441-L492 HydrophobicContact CG-CB 4.4Å; L441-L492 HydrophobicContact CG-CD2 4.26Å; L441-L492 PolarHBondContact N-O 2.91Å; L441-L492 PolarHBondContact O-N 3.11Å; I444-L492 HydrophobicContact CD1-CB 4.37Å; I444-L492 HydrophobicContact CG1-CB 4.13Å; L492-A514 HydrophobicContact CD1-CB 3.85Å; L492-V533 HydrophobicContact CD1-CG1 3.87Å; L492-V533 HydrophobicContact CD1-CG2 4.1Å; L492-V533 HydrophobicContact CD2-CG1 4.07Å; L492-V533 HydrophobicContact CD2-CG2 4.2Å; L492-Y536 HydrophobicContact CD2-CD1 3.53Å; L492-Y536 HydrophobicContact CD2-CE1 3.96Å; L492-Y536 HydrophobicContact CD2-CG 4.39Å; L492-L537 HydrophobicContact CD2-CD2 4.36Å; L492-L556 HydrophobicContact CD1-CD1 4.18Å
493I97.2Very high88.3Confident1 Ų134.2 Ų34.21%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-104.9138.8167.1-176.3165.6000109.6I395 F396 L397 C424 I426 S512 N513I395-I493 HydrophobicContact CB-CD1 3.88Å; I395-I493 HydrophobicContact CD1-CD1 3.84Å; I395-I493 HydrophobicContact CD1-CG1 3.83Å; I395-I493 HydrophobicContact CG1-CD1 3.61Å; I395-I493 HydrophobicContact CG1-CG1 4.16Å; F396-I493 VanDerWaalsContact C-CD1 3.49Å; L397-I493 HydrophobicContact CB-CB 3.83Å; L397-I493 HydrophobicContact CB-CD1 3.9Å; L397-I493 HydrophobicContact CB-CG1 4.18Å; L397-I493 HydrophobicContact CD2-CB 4.33Å; C424-I493 HydrophobicContact CB-CG2 3.76Å; I426-I493 HydrophobicContact CD1-CG1 4.42Å; I426-I493 HydrophobicContact CD1-CG2 3.98Å; I426-I493 HydrophobicContact CG1-CG2 4.02Å; I493-S512 CarbonylContact O-C 3.52Å; I493-S512 VanDerWaalsContact O-CA 3.27Å; I493-S512 WeakPolarHBondContact O-CA 3.33Å; I493-N513 HydrophobicContact CG2-CB 3.86Å; I493-N513 WeakPolarHBondContact CG2-O 3.3Å; I493-N513 PolarHBondContact N-O 2.94Å; I493-N513 PolarHBondContact O-N 3.21Å
494S96.2Very high87.2Confident0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-137.1133.7-178.9-63.10000110.2C439 V511 S512C439-S494 CarbonylContact C-O 3.59Å; C439-S494 PolarHBondContact N-O 3.28Å; C439-S494 CarbonylContact O-C 3.49Å; C439-S494 PolarHBondContact O-N 3.04Å; C439-S494 VanDerWaalsContact SG-CB 3.56Å; C439-S494 PolarHBondContact SG-O 2.84Å; S494-V511 CarbonylContact C-O 3.57Å; S494-V511 WeakPolarHBondContact CA-O 3.45Å; S494-S512 WeakPolarHBondContact CB-OG 3.32Å; S494-S512 WeakPolarHBondContact OG-CB 3.24Å; S494-S512 PolarHBondContact OG-OG 3.03Å
495G95.5Very high86.3Confident0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-115.2137.5168.300000110.1F497 I510 V511G495-F497 VanDerWaalsContact CA-CE2 3.43Å; G495-F497 VanDerWaalsContact O-CD2 3.26Å; G495-F497 WeakPolarHBondContact O-CD2 3.23Å; G495-F497 VanDerWaalsContact O-CE2 3.25Å; G495-F497 WeakPolarHBondContact O-CE2 3.46Å; G495-I510 WeakPolarHBondContact O-CA 3.47Å; G495-V511 PolarHBondContact N-O 3.1Å; G495-V511 PolarHBondContact O-N 3.41Å
496V93.9Very high85.7Confident0 Ų044.6 Ų44.60%024%0.24CC..EExtended strand (participates in β ladder)trans-96.5120.3168.3-173.20000107.3V436 S437 L508 I510 L540 Y544V436-V496 HydrophobicContact CB-CB 4.44Å; V436-V496 HydrophobicContact CB-CG1 4.33Å; V436-V496 WeakPolarHBondContact CB-O 3.34Å; V436-V496 PolarHBondContact N-O 2.81Å; S437-V496 PolarHBondContact N-O 2.57Å; S437-V496 PolarHBondContact O-N 2.78Å; V496-L508 HydrophobicContact CG1-CB 4.42Å; V496-L508 HydrophobicContact CG1-CD1 4.23Å; V496-I510 HydrophobicContact CG2-CG1 4.35Å; V496-L540 HydrophobicContact CG2-CD2 4.45Å; V496-Y544 HydrophobicContact CG1-CD1 4.49Å; V496-Y544 HydrophobicContact CG1-CE1 4.23Å; V496-Y544 HydrophobicContact CG1-CE2 4.43Å; V496-Y544 HydrophobicContact CG2-CD2 4.38Å; V496-Y544 HydrophobicContact CG2-CE2 3.72Å
497F93.1Very high85.3Confident0 Ų042.5 Ų42.50%024%0.236CC..EExtended strand (participates in β ladder)trans-119.3145.8-174-59.7-82.5000110.8F367 I426 Y428 F433 E434 L435 G495 L508 L509 V511F367-F497 HydrophobicContact CE1-CD1 4.21Å; F367-F497 AromaticContact CE1-CD2 3.75Å; F367-F497 HydrophobicContact CE1-CD2 3.75Å; F367-F497 HydrophobicContact CE1-CE1 4.28Å; F367-F497 AromaticContact CE1-CE2 3.82Å; F367-F497 HydrophobicContact CE1-CE2 3.82Å; F367-F497 AromaticContact CE1-CG 3.94Å; F367-F497 HydrophobicContact CE1-CG 3.94Å; F367-F497 HydrophobicContact CE1-CZ 4.09Å; F367-F497 HydrophobicContact CZ-CB 4.42Å; F367-F497 HydrophobicContact CZ-CD2 4.14Å; F367-F497 HydrophobicContact CZ-CG 4.14Å; I426-F497 HydrophobicContact CG2-CZ 4.28Å; Y428-F497 HydrophobicContact CD1-CD1 4.36Å; Y428-F497 AromaticContact CD1-CE1 3.35Å; Y428-F497 HydrophobicContact CD1-CE1 3.35Å; Y428-F497 AromaticContact CD1-CZ 3.88Å; Y428-F497 HydrophobicContact CD1-CZ 3.88Å; Y428-F497 HydrophobicContact CD2-CD1 4.07Å; Y428-F497 AromaticContact CD2-CE1 3.84Å; Y428-F497 HydrophobicContact CD2-CE1 3.84Å; Y428-F497 AromaticContact CE1-CE1 3.72Å; Y428-F497 HydrophobicContact CE1-CE1 3.72Å; Y428-F497 HydrophobicContact CE1-CZ 4.41Å; Y428-F497 HydrophobicContact CE2-CD1 4.45Å; Y428-F497 HydrophobicContact CE2-CE1 4.17Å; Y428-F497 HydrophobicContact CG-CD1 4.02Å; Y428-F497 AromaticContact CG-CE1 3.41Å; Y428-F497 HydrophobicContact CG-CE1 3.41Å; Y428-F497 VanDerWaalsContact CG-CE1 3.41Å; Y428-F497 HydrophobicContact CG-CZ 4.16Å; F433-F497 HydrophobicContact CB-CB 4.46Å; F433-F497 HydrophobicContact CB-CD1 4.45Å; F433-F497 HydrophobicContact CD1-CB 4.28Å; E434-F497 CarbonylContact O-C 3.59Å; E434-F497 WeakPolarHBondContact O-CA 3.42Å; L435-F497 HydrophobicContact CB-CD1 4.22Å; L435-F497 HydrophobicContact CB-CE1 4Å; L435-F497 HydrophobicContact CD1-CD1 4.07Å; L435-F497 HydrophobicContact CD1-CE1 3.49Å; L435-F497 VanDerWaalsContact CD1-CE1 3.49Å; L435-F497 HydrophobicContact CD1-CZ 3.78Å; L435-F497 HydrophobicContact CG-CE1 4.34Å; G495-F497 VanDerWaalsContact CA-CE2 3.43Å; G495-F497 VanDerWaalsContact O-CD2 3.26Å; G495-F497 WeakPolarHBondContact O-CD2 3.23Å; G495-F497 VanDerWaalsContact O-CE2 3.25Å; G495-F497 WeakPolarHBondContact O-CE2 3.46Å; F497-L508 WeakPolarHBondContact O-CA 3.48Å; F497-L509 PolarHBondContact N-O 3.22Å; F497-L509 PolarHBondContact O-N 3.08Å; F497-V511 HydrophobicContact CD2-CB 4.14Å; F497-V511 HydrophobicContact CD2-CG2 3.94Å; F497-V511 HydrophobicContact CE2-CB 3.87Å; F497-V511 HydrophobicContact CE2-CG2 4.13Å
498R90.5Very high85.2Confident63 Ų6342.6 Ų42.624%0.23824%0.237CC..EExtended strand (participates in β ladder)trans-113.1133.3167.2-174.1-179.6-65.2136.2-9.3108.8F433 E434 V436 L508 D548F433-R498 WeakPolarHBondContact CA-O 3.44Å; E434-R498 HydrophobicContact CG-CB 3.69Å; E434-R498 PolarHBondContact N-O 3.03Å; E434-R498 PolarHBondContact O-N 2.64Å; E434-R498 WeakPolarHBondContact OE1-CD 3.42Å; E434-R498 IonicContact OE1-CZ 2.91Å; E434-R498 IonicContact OE1-NE 3.79Å; E434-R498 IonicContact OE1-NH1 3.28Å; E434-R498 PolarHBondContact OE1-NH1 2.77Å; V436-R498 HydrophobicContact CG2-CB 3.83Å; R498-L508 HydrophobicContact CB-CD2 3.77Å; R498-L508 HydrophobicContact CG-CD2 4.19Å; R498-D548 IonicContact NH2-OD2 3.92Å; R498-D548 PolarHBondContact NH2-OD2 3.35Å
499E89.8Confident85.1Confident58 Ų5842.4 Ų42.427%0.27124%0.236SC..EExtended strand (participates in β ladder)trans-70.5131171.1-171.4166.5-14700109.3R432 F433 S501 S506R432-E499 HydrophobicContact CG-CG 4.18Å; R432-E499 IonicContact CZ-OE1 3.83Å; R432-E499 IonicContact NE-OE1 3.83Å; R432-E499 PolarHBondContact NE-OE1 3.48Å; R432-E499 IonicContact NH2-OE1 3.44Å; R432-E499 PolarHBondContact NH2-OE1 2.96Å; R432-E499 CarbonylContact O-C 3.52Å; R432-E499 WeakPolarHBondContact O-CA 3.47Å; F433-E499 HydrophobicContact CD1-CB 4.16Å; F433-E499 HydrophobicContact CE1-CB 3.86Å; F433-E499 HydrophobicContact CE1-CG 4.11Å; E499-S501 PolarHBondContact O-N 2.84Å; E499-S506 WeakPolarHBondContact O-CB 3.45Å; E499-S506 PolarHBondContact O-OG 3.49Å; E499-S506 VanDerWaalsContact O-OG 3.05Å
500K88.2Confident85.2Confident110 Ų11042 Ų4248%0.47823%0.233SC..  trans-76.476.3176.1-65-179.3176-1800108.7R430 R432R430-K500 WeakPolarHBondContact O-CE 3.49Å; R430-K500 PolarHBondContact O-NZ 3.46Å; R432-K500 PolarHBondContact O-N 2.78Å
501S75.9Confident85.3Confident55 Ų5541.6 Ų41.639%0.38523%0.231SC..  trans-91.3166.1165.177.80000110.4E499 T503 S506E499-S501 PolarHBondContact O-N 2.84Å; S501-T503 PolarHBondContact O-N 2.95Å; S501-T503 PolarHBondContact OG-N 3.19Å; S501-T503 PolarHBondContact OG-O 3.43Å; S501-T503 PolarHBondContact OG-OG1 2.97Å; S501-S506 PolarHBondContact OG-OG 3.13Å
502T61.9Low85.3Confident154 Ų15441.6 Ų41.695%0.94523%0.231SC*.SBendtrans-69.2-9175.132.90000113.7
503T64.1Low85.4Confident88 Ų8841.6 Ų41.654%0.5423%0.231SC..SBendtrans-106.6134.6-179.252.90000110.6S501 Q505 S506S501-T503 PolarHBondContact O-N 2.95Å; S501-T503 PolarHBondContact OG-N 3.19Å; S501-T503 PolarHBondContact OG-O 3.43Å; S501-T503 PolarHBondContact OG-OG1 2.97Å; T503-Q505 PolarHBondContact O-N 3.39Å; T503-S506 PolarHBondContact O-OG 3.44Å
504S63.4Low85.2Confident113 Ų11341.5 Ų41.579%0.7923%0.231SC*.THydrogen-bonded Turntrans-66.47.5-179.261.60000115.3
505Q69.7Low85.1Confident154 Ų15441.9 Ų41.972%0.7223%0.233SC*.THydrogen-bonded Turntrans-117.722.6-173-66-176.9-20.600112.9T503T503-Q505 PolarHBondContact O-N 3.39Å
506S74.1Confident85Confident7 Ų742.2 Ų42.25%0.04923%0.234CC..PPolyproline II helixtrans-66129.7-179.8-23.30000111.1E499 S501 T503 Q550E499-S506 WeakPolarHBondContact O-CB 3.45Å; E499-S506 PolarHBondContact O-OG 3.49Å; E499-S506 VanDerWaalsContact O-OG 3.05Å; S501-S506 PolarHBondContact OG-OG 3.13Å; T503-S506 PolarHBondContact O-OG 3.44Å; S506-Q550 PolarHBondContact O-OE1 3.19Å
507P79.3Confident84.9Confident51 Ų5142.6 Ų42.633%0.33124%0.235SC..PPolyproline II helixtrans-58.2151.1-176.226.2-35.2000112.3V551P507-V551 HydrophobicContact CB-CB 4.31Å; P507-V551 VanDerWaalsContact CB-O 3.23Å; P507-V551 WeakPolarHBondContact CB-O 3.41Å
508L88.4Confident84.5Confident1 Ų147.8 Ų47.81%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-85.8136.6175.1-65.4-178000110.5V436 V496 F497 R498 Y544 D548 V551 F552 F553V436-L508 HydrophobicContact CG2-CD2 4.11Å; V496-L508 HydrophobicContact CG1-CB 4.42Å; V496-L508 HydrophobicContact CG1-CD1 4.23Å; F497-L508 WeakPolarHBondContact O-CA 3.48Å; R498-L508 HydrophobicContact CB-CD2 3.77Å; R498-L508 HydrophobicContact CG-CD2 4.19Å; L508-Y544 HydrophobicContact CD1-CD1 3.95Å; L508-Y544 HydrophobicContact CD1-CG 4.5Å; L508-D548 HydrophobicContact CD1-CB 4.47Å; L508-V551 PolarHBondContact N-O 3.22Å; L508-F552 HydrophobicContact CB-CD1 4.05Å; L508-F552 HydrophobicContact CB-CE1 3.67Å; L508-F552 HydrophobicContact CB-CZ 4.25Å; L508-F552 HydrophobicContact CD1-CE1 3.7Å; L508-F552 HydrophobicContact CD1-CZ 3.81Å; L508-F552 HydrophobicContact CG-CE1 4.25Å; L508-F552 HydrophobicContact CG-CZ 4.46Å; L508-F553 PolarHBondContact O-N 3.44Å
509L91Very high84.2Confident18 Ų1847.2 Ų47.29%0.09426%0.258CS..EExtended strand (participates in β ladder)trans-113.8121.4175.8179.466.6000109.5L316 F367 F433 F497 V511 F553 L555L316-L509 HydrophobicContact CD1-CD2 4.34Å; F367-L509 HydrophobicContact CE2-CD2 3.53Å; F367-L509 HydrophobicContact CZ-CD2 3.76Å; F433-L509 HydrophobicContact CE1-CD2 4.36Å; F497-L509 PolarHBondContact N-O 3.22Å; F497-L509 PolarHBondContact O-N 3.08Å; L509-V511 HydrophobicContact CD2-CG2 3.76Å; L509-V511 HydrophobicContact CG-CG2 3.79Å; L509-F553 HydrophobicContact CD1-CB 3.73Å; L509-L555 HydrophobicContact CD1-CB 4.47Å
510I92.7Very high83.8Confident0 Ų048.4 Ų48.40%027%0.271CS..EExtended strand (participates in β ladder)trans-92.7116.3170.2-59.1174000107.4G495 V496 L537 L540 A541 F552 F553 C554 L555G495-I510 WeakPolarHBondContact O-CA 3.47Å; V496-I510 HydrophobicContact CG2-CG1 4.35Å; I510-L537 HydrophobicContact CG2-CD2 4.09Å; I510-L540 HydrophobicContact CD1-CD2 4.12Å; I510-L540 HydrophobicContact CD1-CG 4.18Å; I510-L540 HydrophobicContact CG2-CD2 4.12Å; I510-A541 HydrophobicContact CD1-CB 3.91Å; I510-F552 HydrophobicContact CD1-CD1 4.41Å; I510-F553 PolarHBondContact N-O 2.76Å; I510-C554 HydrophobicContact CB-CB 4.47Å; I510-L555 PolarHBondContact O-N 3.03Å
511V95Very high83.6Confident0 Ų045.9 Ų45.90%027%0.267CS..EExtended strand (participates in β ladder)trans-108.6125.8172-175.40000108.4F367 I426 S494 G495 F497 L509 L555F367-V511 HydrophobicContact CD1-CB 4.35Å; F367-V511 HydrophobicContact CD1-CG1 4.25Å; F367-V511 HydrophobicContact CD1-CG2 3.92Å; F367-V511 HydrophobicContact CD2-CG2 4.29Å; F367-V511 HydrophobicContact CE1-CB 4.34Å; F367-V511 HydrophobicContact CE1-CG2 3.67Å; F367-V511 HydrophobicContact CE2-CG2 4.07Å; F367-V511 HydrophobicContact CG-CG1 4.48Å; F367-V511 HydrophobicContact CG-CG2 4.22Å; F367-V511 HydrophobicContact CZ-CG2 3.75Å; I426-V511 HydrophobicContact CD1-CG1 4.42Å; I426-V511 WeakPolarHBondContact CD1-O 3.44Å; I426-V511 HydrophobicContact CG2-CG1 4.36Å; S494-V511 CarbonylContact C-O 3.57Å; S494-V511 WeakPolarHBondContact CA-O 3.45Å; G495-V511 PolarHBondContact N-O 3.1Å; G495-V511 PolarHBondContact O-N 3.41Å; F497-V511 HydrophobicContact CD2-CB 4.14Å; F497-V511 HydrophobicContact CD2-CG2 3.94Å; F497-V511 HydrophobicContact CE2-CB 3.87Å; F497-V511 HydrophobicContact CE2-CG2 4.13Å; L509-V511 HydrophobicContact CD2-CG2 3.76Å; L509-V511 HydrophobicContact CG-CG2 3.79Å; V511-L555 WeakPolarHBondContact CA-O 3.37Å; V511-L555 HydrophobicContact CG1-CD2 4.33Å; V511-L555 HydrophobicContact CG2-CD2 4.47Å
512S96.1Very high84Confident0 Ų043.3 Ų43.30%025%0.249CC..EExtended strand (participates in β ladder)trans-125.2143.2-179-58.70000111.5I493 S494 L537 L555 V557I493-S512 CarbonylContact O-C 3.52Å; I493-S512 VanDerWaalsContact O-CA 3.27Å; I493-S512 WeakPolarHBondContact O-CA 3.33Å; S494-S512 WeakPolarHBondContact CB-OG 3.32Å; S494-S512 WeakPolarHBondContact OG-CB 3.24Å; S494-S512 PolarHBondContact OG-OG 3.03Å; S512-L537 WeakPolarHBondContact OG-CD2 3.45Å; S512-L555 PolarHBondContact N-O 2.7Å; S512-V557 PolarHBondContact O-N 3.43Å
513N96.3Very high85.1Confident0 Ų037.5 Ų37.50%022%0.215CC..EExtended strand (participates in β ladder)trans-129.9129.3179.4-178.718000110.3C369 L370 Q371 A425 I426 I493 V557C369-N513 HydrophobicContact CB-CB 4Å; L370-N513 PolarHBondContact N-ND2 3.05Å; L370-N513 VanDerWaalsContact N-ND2 3.2Å; L370-N513 PolarHBondContact O-ND2 2.85Å; Q371-N513 PolarHBondContact NE2-OD1 2.92Å; A425-N513 PolarHBondContact O-ND2 3.27Å; I426-N513 HydrophobicContact CD1-CB 3.87Å; I426-N513 HydrophobicContact CG1-CB 3.63Å; I493-N513 HydrophobicContact CG2-CB 3.86Å; I493-N513 WeakPolarHBondContact CG2-O 3.3Å; I493-N513 PolarHBondContact N-O 2.94Å; I493-N513 PolarHBondContact O-N 3.21Å; N513-V557 VanDerWaalsContact CA-O 3.29Å; N513-V557 WeakPolarHBondContact CA-O 3.41Å
514A95Very high86.2Confident0 Ų035.5 Ų35.50%020%0.203CC..EExtended strand (participates in β ladder)trans-140.8150.9175.500000112.1I444 L492 F516 V557 Y558 F559I444-A514 HydrophobicContact CD1-CB 4.38Å; L492-A514 HydrophobicContact CD1-CB 3.85Å; A514-F516 HydrophobicContact CB-CD1 4.02Å; A514-F516 HydrophobicContact CB-CE1 3.71Å; A514-V557 PolarHBondContact N-O 3.43Å; A514-Y558 WeakPolarHBondContact O-CA 3.46Å; A514-F559 PolarHBondContact O-N 3.25Å
515H93.3Very high87.4Confident8 Ų830.1 Ų30.14%0.03717%0.166CC..EExtended strand (participates in β ladder)trans-112.4102.1168.2-166.7-172.6000108.7N322 Q371 E372 Q490 F559N322-H515 PolarHBondContact ND2-CE1 2.8Å; Q371-H515 HydrophobicContact CB-CB 3.92Å; Q371-H515 HydrophobicContact CG-CB 3.88Å; E372-H515 IonicContact OE1-CE1 3.79Å; E372-H515 PolarHBondContact OE1-CE1 3.32Å; E372-H515 IonicContact OE1-ND1 3.72Å; Q490-H515 PolarHBondContact NE2-O 3.22Å; Q490-H515 PolarHBondContact OE1-O 2.8Å; H515-F559 AromaticContact NE2-CD1 3.93Å
516F93.2Very high88.3Confident6 Ų623.3 Ų23.33%0.02613%0.133CC..  trans-71163.5-179.3-71.9-6.1000111.8I444 Q490 A514 F518 R526 Q529 A530 V533 Y558 L560I444-F516 HydrophobicContact CD1-CD1 4.23Å; I444-F516 HydrophobicContact CD1-CE1 4.02Å; Q490-F516 PolarHBondContact NE2-O 3.26Å; A514-F516 HydrophobicContact CB-CD1 4.02Å; A514-F516 HydrophobicContact CB-CE1 3.71Å; F516-F518 PolarHBondContact O-N 2.96Å; F516-R526 HydrophobicContact CB-CG 4.39Å; F516-Q529 HydrophobicContact CD1-CB 4.11Å; F516-Q529 HydrophobicContact CE1-CB 4.14Å; F516-Q529 HydrophobicContact CG-CB 4.34Å; F516-Q529 HydrophobicContact CZ-CB 4.39Å; F516-A530 HydrophobicContact CE2-CB 3.96Å; F516-A530 HydrophobicContact CZ-CB 4.37Å; F516-V533 HydrophobicContact CE1-CG2 3.89Å; F516-V533 HydrophobicContact CZ-CG2 4.06Å; F516-Y558 HydrophobicContact CD2-CD2 4.01Å; F516-Y558 AromaticContact CE2-CD2 3.86Å; F516-Y558 HydrophobicContact CE2-CD2 3.86Å; F516-Y558 HydrophobicContact CE2-CE2 4.37Å; F516-Y558 HydrophobicContact CE2-CG 4.29Å; F516-L560 HydrophobicContact CB-CD2 3.94Å; F516-L560 HydrophobicContact CD2-CD2 4.01Å; F516-L560 HydrophobicContact CG-CD2 4.48Å
517Y91.4Very high89.1Confident8 Ų826.9 Ų26.93%0.03115%0.151CC..  trans-65.5125.8-179-175.3-120000111.3H483 K486 H519 A522 R526H483-Y517 HydrophobicContact CB-CE1 3.86Å; H483-Y517 AromaticContact CG-CE1 3.99Å; H483-Y517 AromaticContact ND1-CE1 3.62Å; H483-Y517 AromaticContact ND1-CZ 3.8Å; H483-Y517 PolarHBondContact ND1-OH 3.03Å; K486-Y517 HydrophobicContact CB-CE2 3.87Å; Y517-H519 HydrophobicContact CD1-CB 4.07Å; Y517-H519 HydrophobicContact CE1-CB 3.37Å; Y517-A522 HydrophobicContact CD1-CB 3.4Å; Y517-A522 VanDerWaalsContact CD1-CB 3.4Å; Y517-A522 HydrophobicContact CE1-CB 3.49Å; Y517-A522 VanDerWaalsContact CE1-CB 3.49Å; Y517-R526 WeakPolarHBondContact O-CD 3.42Å; Y517-R526 WeakPolarHBondContact O-CG 3.42Å; Y517-R526 PolarHBondContact O-NH1 2.82Å; Y517-R526 VanDerWaalsContact O-NH1 3.09Å
518F85.1Confident89.7Confident110 Ų11024.5 Ų24.548%0.48214%0.135SC..  trans-78.5-24-164.176.6-87.3000114.4F516 L561F516-F518 PolarHBondContact O-N 2.96Å; F518-L561 HydrophobicContact CB-CD1 3.86Å
519H84.7Confident89.9Confident51 Ų5124.4 Ų24.424%0.23614%0.135CC..  trans-61.7127.9-164.1-167.2-85000111.7H483 Y517 S521 A522 R526H483-H519 AromaticContact CE1-CD2 3.68Å; H483-H519 AromaticContact CE1-CE1 3.44Å; H483-H519 PolarHBondContact CE1-CE1 2.49Å; H483-H519 VanDerWaalsContact CE1-CE1 3.44Å; H483-H519 AromaticContact CE1-CG 3.38Å; H483-H519 AromaticContact CE1-ND1 3.22Å; H483-H519 PolarHBondContact CE1-ND1 3.26Å; H483-H519 AromaticContact CE1-NE2 3.73Å; H483-H519 AromaticContact ND1-CG 3.93Å; H483-H519 AromaticContact NE2-CE1 3.76Å; H483-H519 AromaticContact NE2-ND1 3.55Å; Y517-H519 HydrophobicContact CD1-CB 4.07Å; Y517-H519 HydrophobicContact CE1-CB 3.37Å; H519-S521 VanDerWaalsContact C-N 3.35Å; H519-S521 PolarHBondContact CE1-OG 3.46Å; H519-S521 PolarHBondContact ND1-N 3.09Å; H519-S521 PolarHBondContact ND1-OG 3.06Å; H519-S521 PolarHBondContact O-N 3.49Å; H519-A522 HydrophobicContact CB-CB 4.04Å; H519-A522 WeakPolarHBondContact O-CB 3.45Å; H519-A522 PolarHBondContact O-N 3.17Å; H519-R526 PolarHBondContact O-NH1 3.21Å
520P81.2Confident90Very high82 Ų8225.1 Ų25.153%0.53214%0.143SC..THydrogen-bonded Turntrans-53.3-44.8-172.1-29.535.8000114.5A522 R526P520-A522 PolarHBondContact O-N 2.89Å; P520-R526 PolarHBondContact O-NH2 3.07Å
521S82.9Confident90Very high57 Ų5731.2 Ų31.240%0.39917%0.166SC..THydrogen-bonded Turntrans-70.6-13.5179.5650000114.4H483 H519 S523H483-S521 PolarHBondContact NE2-OG 3.4Å; H483-S521 VanDerWaalsContact NE2-OG 3.1Å; H519-S521 VanDerWaalsContact C-N 3.35Å; H519-S521 PolarHBondContact CE1-OG 3.46Å; H519-S521 PolarHBondContact ND1-N 3.09Å; H519-S521 PolarHBondContact ND1-OG 3.06Å; H519-S521 PolarHBondContact O-N 3.49Å; S521-S523 PolarHBondContact O-N 3.12Å; S521-S523 VanDerWaalsContact O-N 3.11Å
522A85.2Confident90Very high1 Ų131.2 Ų31.21%0.00817%0.166CC..  trans-87.732.8-174.300000113.7H483 Y517 H519 P520 P524 I525 R526H483-A522 HydrophobicContact CB-CB 4.44Å; Y517-A522 HydrophobicContact CD1-CB 3.4Å; Y517-A522 VanDerWaalsContact CD1-CB 3.4Å; Y517-A522 HydrophobicContact CE1-CB 3.49Å; Y517-A522 VanDerWaalsContact CE1-CB 3.49Å; H519-A522 HydrophobicContact CB-CB 4.04Å; H519-A522 WeakPolarHBondContact O-CB 3.45Å; H519-A522 PolarHBondContact O-N 3.17Å; P520-A522 PolarHBondContact O-N 2.89Å; A522-P524 VanDerWaalsContact C-CD 3.49Å; A522-I525 HydrophobicContact CB-CB 4.36Å; A522-I525 HydrophobicContact CB-CD1 4.2Å; A522-I525 HydrophobicContact CB-CG1 4.49Å; A522-I525 WeakPolarHBondContact O-CB 3.36Å; A522-I525 PolarHBondContact O-N 3.38Å; A522-R526 PolarHBondContact O-N 3.18Å; A522-R526 VanDerWaalsContact O-N 3.17Å
523S85.3Confident89.9Confident33 Ų3331.2 Ų31.223%0.23117%0.166CC..Hα-helixtrans-53.7-44176-69.30000113.2S521 I525 R526 I527S521-S523 PolarHBondContact O-N 3.12Å; S521-S523 VanDerWaalsContact O-N 3.11Å; S523-I525 VanDerWaalsContact C-N 3.31Å; S523-I525 PolarHBondContact O-N 2.68Å; S523-R526 VanDerWaalsContact CA-NH2 3.34Å; S523-R526 WeakPolarHBondContact O-CB 3.47Å; S523-R526 PolarHBondContact O-N 3.11Å; S523-R526 VanDerWaalsContact O-N 3.11Å; S523-R526 PolarHBondContact OG-NH2 3.09Å; S523-I527 WeakPolarHBondContact O-CG1 3.28Å; S523-I527 PolarHBondContact O-N 2.9Å
524P85.9Confident89.7Confident45 Ų4540.3 Ų40.329%0.29220%0.201SC..Hα-helixtrans-62.4-37.6179.1-25.237.2000113.1F461 A522 R526 I527 I528F461-P524 HydrophobicContact CD1-CB 4.42Å; F461-P524 HydrophobicContact CD2-CB 3.55Å; F461-P524 HydrophobicContact CD2-CG 4.12Å; F461-P524 HydrophobicContact CE1-CB 4.09Å; F461-P524 HydrophobicContact CE2-CB 3.22Å; F461-P524 HydrophobicContact CE2-CG 3.39Å; F461-P524 HydrophobicContact CG-CB 4.17Å; F461-P524 HydrophobicContact CZ-CB 3.52Å; F461-P524 HydrophobicContact CZ-CG 3.76Å; A522-P524 VanDerWaalsContact C-CD 3.49Å; P524-R526 VanDerWaalsContact C-N 3.33Å; P524-R526 PolarHBondContact O-N 3.35Å; P524-I527 PolarHBondContact O-N 3.34Å; P524-I528 WeakPolarHBondContact O-CG1 3.36Å; P524-I528 PolarHBondContact O-N 3.16Å
525I89Confident89.7Confident1 Ų143 Ų431%0.00521%0.213CC..Hα-helixtrans-61.7-43.4174.7-63.2-177.2000110.4L445 F461 H483 I484 A522 S523 I527 I528 Q529L445-I525 HydrophobicContact CD1-CG2 4.24Å; F461-I525 HydrophobicContact CD1-CG1 4.36Å; F461-I525 HydrophobicContact CE1-CD1 4.29Å; F461-I525 HydrophobicContact CE1-CG1 3.65Å; F461-I525 HydrophobicContact CZ-CG1 4.44Å; H483-I525 VanDerWaalsContact C-CD1 3.47Å; H483-I525 HydrophobicContact CB-CD1 3.4Å; I484-I525 HydrophobicContact CG1-CD1 3.86Å; I484-I525 HydrophobicContact CG1-CG1 4.35Å; A522-I525 HydrophobicContact CB-CB 4.36Å; A522-I525 HydrophobicContact CB-CD1 4.2Å; A522-I525 HydrophobicContact CB-CG1 4.49Å; A522-I525 WeakPolarHBondContact O-CB 3.36Å; A522-I525 PolarHBondContact O-N 3.38Å; S523-I525 VanDerWaalsContact C-N 3.31Å; S523-I525 PolarHBondContact O-N 2.68Å; I525-I527 VanDerWaalsContact C-N 3.32Å; I525-I527 PolarHBondContact O-N 3.21Å; I525-I528 PolarHBondContact O-N 3.01Å; I525-Q529 HydrophobicContact CG2-CG 4.36Å; I525-Q529 WeakPolarHBondContact O-CG 3.13Å; I525-Q529 PolarHBondContact O-N 3.46Å
526R90.1Very high89.8Confident10 Ų1044.2 Ų44.24%0.03822%0.218CC..Hα-helixtrans-62.9-37.1176.4-69.3-172.3-76.5-83.52.3112.6F516 Y517 H519 P520 A522 S523 P524 Q529 A530 L560F516-R526 HydrophobicContact CB-CG 4.39Å; Y517-R526 WeakPolarHBondContact O-CD 3.42Å; Y517-R526 WeakPolarHBondContact O-CG 3.42Å; Y517-R526 PolarHBondContact O-NH1 2.82Å; Y517-R526 VanDerWaalsContact O-NH1 3.09Å; H519-R526 PolarHBondContact O-NH1 3.21Å; P520-R526 PolarHBondContact O-NH2 3.07Å; A522-R526 PolarHBondContact O-N 3.18Å; A522-R526 VanDerWaalsContact O-N 3.17Å; S523-R526 VanDerWaalsContact CA-NH2 3.34Å; S523-R526 WeakPolarHBondContact O-CB 3.47Å; S523-R526 PolarHBondContact O-N 3.11Å; S523-R526 VanDerWaalsContact O-N 3.11Å; S523-R526 PolarHBondContact OG-NH2 3.09Å; P524-R526 VanDerWaalsContact C-N 3.33Å; P524-R526 PolarHBondContact O-N 3.35Å; R526-Q529 PolarHBondContact O-N 3.25Å; R526-A530 WeakPolarHBondContact O-CB 3.13Å; R526-A530 PolarHBondContact O-N 3Å; R526-L560 HydrophobicContact CG-CD2 4.28Å
527I89.8Confident89.7Confident82 Ų8244.4 Ų44.442%0.42122%0.219SC..Hα-helixtrans-63.9-43.9174.9-63169000110.1M457 S523 P524 I525 Q529 A530 R531M457-I527 HydrophobicContact CE-CG2 3.8Å; S523-I527 WeakPolarHBondContact O-CG1 3.28Å; S523-I527 PolarHBondContact O-N 2.9Å; P524-I527 PolarHBondContact O-N 3.34Å; I525-I527 VanDerWaalsContact C-N 3.32Å; I525-I527 PolarHBondContact O-N 3.21Å; I527-Q529 VanDerWaalsContact C-N 3.34Å; I527-A530 PolarHBondContact O-N 3.41Å; I527-R531 WeakPolarHBondContact O-CB 3.41Å; I527-R531 WeakPolarHBondContact O-CG 3.19Å; I527-R531 PolarHBondContact O-N 3.3Å
528I91.8Very high89.7Confident1 Ų147.1 Ų47.11%0.00524%0.239CC..Hα-helixtrans-61.1-45.6174.9-64165.7000110L445 A448 M457 L458 F461 P524 I525 A530 R531 T532L445-I528 HydrophobicContact CD2-CG2 3.88Å; A448-I528 HydrophobicContact CB-CG2 4.36Å; M457-I528 HydrophobicContact CE-CG1 3.66Å; M457-I528 HydrophobicContact CG-CD1 4.5Å; M457-I528 HydrophobicContact CG-CG1 4Å; M457-I528 HydrophobicContact SD-CG1 3.92Å; L458-I528 HydrophobicContact CB-CD1 4.48Å; L458-I528 HydrophobicContact CD1-CD1 3.94Å; F461-I528 HydrophobicContact CB-CD1 4.29Å; F461-I528 HydrophobicContact CD1-CD1 4.41Å; P524-I528 WeakPolarHBondContact O-CG1 3.36Å; P524-I528 PolarHBondContact O-N 3.16Å; I525-I528 PolarHBondContact O-N 3.01Å; I528-A530 PolarHBondContact O-N 3.2Å; I528-R531 PolarHBondContact O-N 2.81Å; I528-T532 VanDerWaalsContact O-CB 3.23Å; I528-T532 WeakPolarHBondContact O-CB 3.44Å; I528-T532 PolarHBondContact O-N 3.44Å; I528-T532 PolarHBondContact O-OG1 3.05Å
529Q93.1Very high90Very high0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-58.2-48.5176.1-72.6178.6-33.200111.4I444 L445 F516 I525 R526 I527 T532 V533I444-Q529 HydrophobicContact CG2-CB 4.08Å; I444-Q529 HydrophobicContact CG2-CG 4.02Å; L445-Q529 HydrophobicContact CD2-CG 4.03Å; F516-Q529 HydrophobicContact CD1-CB 4.11Å; F516-Q529 HydrophobicContact CE1-CB 4.14Å; F516-Q529 HydrophobicContact CG-CB 4.34Å; F516-Q529 HydrophobicContact CZ-CB 4.39Å; I525-Q529 HydrophobicContact CG2-CG 4.36Å; I525-Q529 WeakPolarHBondContact O-CG 3.13Å; I525-Q529 PolarHBondContact O-N 3.46Å; R526-Q529 PolarHBondContact O-N 3.25Å; I527-Q529 VanDerWaalsContact C-N 3.34Å; Q529-T532 WeakPolarHBondContact O-CB 3.37Å; Q529-T532 PolarHBondContact O-N 3.31Å; Q529-V533 VanDerWaalsContact O-CG2 3.32Å; Q529-V533 WeakPolarHBondContact O-CG2 3.5Å; Q529-V533 PolarHBondContact O-N 3.4Å
530A92.5Very high90.3Very high32 Ų3247.3 Ų47.326%0.26424%0.24SC..Hα-helixtrans-61.3-46.2178.600000112.4F516 R526 I527 I528 T532 V533 R534F516-A530 HydrophobicContact CE2-CB 3.96Å; F516-A530 HydrophobicContact CZ-CB 4.37Å; R526-A530 WeakPolarHBondContact O-CB 3.13Å; R526-A530 PolarHBondContact O-N 3Å; I527-A530 PolarHBondContact O-N 3.41Å; I528-A530 PolarHBondContact O-N 3.2Å; A530-T532 VanDerWaalsContact C-N 3.3Å; A530-T532 PolarHBondContact O-N 2.73Å; A530-V533 PolarHBondContact O-N 3Å; A530-R534 WeakPolarHBondContact O-CB 3.43Å; A530-R534 PolarHBondContact O-N 2.83Å
531R92.7Very high90.7Very high128 Ų12844.5 Ų44.548%0.48322%0.224SC..Hα-helixtrans-62.5-38.9175.6-77-176.6175.4170.40.4112L454 M457 I527 I528 R534 H535L454-R531 HydrophobicContact CD2-CB 4.06Å; M457-R531 VanDerWaalsContact SD-CD 3.58Å; M457-R531 PolarHBondContact SD-NH1 2.98Å; I527-R531 WeakPolarHBondContact O-CB 3.41Å; I527-R531 WeakPolarHBondContact O-CG 3.19Å; I527-R531 PolarHBondContact O-N 3.3Å; I528-R531 PolarHBondContact O-N 2.81Å; R531-R534 PolarHBondContact O-N 3.44Å; R531-H535 WeakPolarHBondContact O-CB 3.28Å; R531-H535 PolarHBondContact O-N 2.91Å
532T95.4Very high90.9Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-65.3-48.3178-59.40000111.5L441 I444 Y447 A448 L454 I528 Q529 A530 R534 H535 Y536L441-T532 HydrophobicContact CD1-CG2 4.48Å; I444-T532 HydrophobicContact CG2-CG2 3.74Å; I444-T532 WeakPolarHBondContact O-CG2 3.11Å; Y447-T532 HydrophobicContact CD1-CG2 3.5Å; Y447-T532 VanDerWaalsContact CD1-CG2 3.5Å; Y447-T532 HydrophobicContact CE1-CG2 4.14Å; Y447-T532 HydrophobicContact CG-CG2 4.5Å; A448-T532 HydrophobicContact CB-CG2 4Å; A448-T532 WeakPolarHBondContact CB-OG1 3.46Å; L454-T532 HydrophobicContact CD1-CG2 4.02Å; I528-T532 VanDerWaalsContact O-CB 3.23Å; I528-T532 WeakPolarHBondContact O-CB 3.44Å; I528-T532 PolarHBondContact O-N 3.44Å; I528-T532 PolarHBondContact O-OG1 3.05Å; Q529-T532 WeakPolarHBondContact O-CB 3.37Å; Q529-T532 PolarHBondContact O-N 3.31Å; A530-T532 VanDerWaalsContact C-N 3.3Å; A530-T532 PolarHBondContact O-N 2.73Å; T532-R534 VanDerWaalsContact C-N 3.35Å; T532-R534 PolarHBondContact O-N 3.16Å; T532-H535 PolarHBondContact O-N 3.27Å; T532-Y536 WeakPolarHBondContact O-CB 3.46Å; T532-Y536 PolarHBondContact O-N 2.83Å
533V94.6Very high91.1Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-59.8-46.5175.8171.70000110.3I444 L492 F516 Q529 A530 H535 Y536 L537 L556I444-V533 HydrophobicContact CD1-CG2 4Å; I444-V533 HydrophobicContact CG1-CG2 4.36Å; I444-V533 HydrophobicContact CG2-CG2 4.29Å; L492-V533 HydrophobicContact CD1-CG1 3.87Å; L492-V533 HydrophobicContact CD1-CG2 4.1Å; L492-V533 HydrophobicContact CD2-CG1 4.07Å; L492-V533 HydrophobicContact CD2-CG2 4.2Å; F516-V533 HydrophobicContact CE1-CG2 3.89Å; F516-V533 HydrophobicContact CZ-CG2 4.06Å; Q529-V533 VanDerWaalsContact O-CG2 3.32Å; Q529-V533 WeakPolarHBondContact O-CG2 3.5Å; Q529-V533 PolarHBondContact O-N 3.4Å; A530-V533 PolarHBondContact O-N 3Å; V533-H535 PolarHBondContact O-N 2.96Å; V533-Y536 PolarHBondContact O-N 3.11Å; V533-L537 HydrophobicContact CG1-CD1 3.57Å; V533-L537 HydrophobicContact CG1-CG 4.13Å; V533-L537 WeakPolarHBondContact O-CB 3.46Å; V533-L537 VanDerWaalsContact O-CG 3.26Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 2.93Å; V533-L556 HydrophobicContact CG1-CD1 3.66Å; V533-L556 HydrophobicContact CG1-CD2 3.64Å; V533-L556 HydrophobicContact CG1-CG 4.28Å
534R92Very high91.1Very high191 Ų19149.4 Ų49.472%0.72125%0.246SC*.Hα-helixtrans-58.1-45.6176.4-177.1-177.7173.1-151.6-0.3112.1A530 R531 T532 S538A530-R534 WeakPolarHBondContact O-CB 3.43Å; A530-R534 PolarHBondContact O-N 2.83Å; R531-R534 PolarHBondContact O-N 3.44Å; T532-R534 VanDerWaalsContact C-N 3.35Å; T532-R534 PolarHBondContact O-N 3.16Å; R534-S538 VanDerWaalsContact O-CB 3.23Å; R534-S538 WeakPolarHBondContact O-CB 2.98Å; R534-S538 PolarHBondContact O-N 3.25Å
535H94.5Very high91Very high58 Ų5855.7 Ų55.727%0.26926%0.264SS..Hα-helixtrans-61.1-48177.8178.278.3000111.6Y447 F453 L454 R531 T532 V533 S538 K539Y447-H535 AromaticContact CE1-CD2 3.89Å; Y447-H535 PolarHBondContact OH-CD2 2.87Å; F453-H535 AromaticContact CE1-CE1 3.64Å; F453-H535 AromaticContact CE1-ND1 3.49Å; F453-H535 WeakPolarHBondContact CE1-ND1 3.43Å; F453-H535 HydrophobicContact CZ-CB 4.11Å; F453-H535 AromaticContact CZ-CG 3.78Å; F453-H535 AromaticContact CZ-ND1 3.45Å; F453-H535 WeakPolarHBondContact CZ-ND1 3.47Å; L454-H535 HydrophobicContact CD1-CB 4.19Å; R531-H535 WeakPolarHBondContact O-CB 3.28Å; R531-H535 PolarHBondContact O-N 2.91Å; T532-H535 PolarHBondContact O-N 3.27Å; V533-H535 PolarHBondContact O-N 2.96Å; H535-S538 PolarHBondContact O-N 3.24Å; H535-K539 WeakPolarHBondContact O-CB 3.46Å; H535-K539 PolarHBondContact O-N 3.21Å
536Y94.8Very high90.6Very high33 Ų3363 Ų6313%0.12930%0.298CS..Hα-helixtrans-59.3-49.1178.4176.7-99.6000111.9G440 L441 Y447 L492 T532 V533 S538 K539 L540G440-Y536 PolarHBondContact N-OH 3.49Å; G440-Y536 VanDerWaalsContact N-OH 3.16Å; G440-Y536 PolarHBondContact O-OH 2.91Å; L441-Y536 HydrophobicContact CD1-CD1 4.41Å; L441-Y536 HydrophobicContact CD1-CD2 4.17Å; L441-Y536 HydrophobicContact CD1-CG 3.96Å; L441-Y536 HydrophobicContact CD2-CD2 3.53Å; L441-Y536 HydrophobicContact CD2-CE2 3.51Å; L441-Y536 HydrophobicContact CD2-CG 4.13Å; L441-Y536 HydrophobicContact CG-CD1 4.3Å; L441-Y536 HydrophobicContact CG-CD2 3.98Å; L441-Y536 HydrophobicContact CG-CE1 4.42Å; L441-Y536 HydrophobicContact CG-CE2 4.11Å; L441-Y536 HydrophobicContact CG-CG 4.06Å; Y447-Y536 AromaticContact CE2-CD2 3.94Å; Y447-Y536 HydrophobicContact CE2-CD2 3.94Å; Y447-Y536 AromaticContact CZ-CD2 3.93Å; L492-Y536 HydrophobicContact CD2-CD1 3.53Å; L492-Y536 HydrophobicContact CD2-CE1 3.96Å; L492-Y536 HydrophobicContact CD2-CG 4.39Å; T532-Y536 WeakPolarHBondContact O-CB 3.46Å; T532-Y536 PolarHBondContact O-N 2.83Å; V533-Y536 PolarHBondContact O-N 3.11Å; Y536-S538 PolarHBondContact O-N 2.91Å; Y536-K539 PolarHBondContact O-N 3.41Å; Y536-L540 HydrophobicContact CE1-CD2 4.39Å; Y536-L540 WeakPolarHBondContact O-CB 3.46Å; Y536-L540 PolarHBondContact O-N 3.02Å
537L92.6Very high90Very high9 Ų965.6 Ų65.65%0.04732%0.318CS..Hα-helixtrans-67.8-35.7-178.9-64.6177.4000112.4L492 I510 S512 V533 L540 A541 L556L492-L537 HydrophobicContact CD2-CD2 4.36Å; I510-L537 HydrophobicContact CG2-CD2 4.09Å; S512-L537 WeakPolarHBondContact OG-CD2 3.45Å; V533-L537 HydrophobicContact CG1-CD1 3.57Å; V533-L537 HydrophobicContact CG1-CG 4.13Å; V533-L537 WeakPolarHBondContact O-CB 3.46Å; V533-L537 VanDerWaalsContact O-CG 3.26Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 2.93Å; L537-L540 HydrophobicContact CD2-CD2 4.37Å; L537-L540 PolarHBondContact O-N 3.42Å; L537-A541 VanDerWaalsContact O-CB 3.31Å; L537-A541 WeakPolarHBondContact O-CB 3.12Å; L537-A541 PolarHBondContact O-N 3.08Å; L537-L556 HydrophobicContact CD1-CB 4.36Å; L537-L556 HydrophobicContact CD1-CD1 4.16Å
538S90.9Very high89.1Confident65 Ų6564.2 Ų64.246%0.45531%0.312SS..Hα-helixtrans-62.9-45.4172.51790000111.4R534 H535 Y536 L540 A541 M542R534-S538 VanDerWaalsContact O-CB 3.23Å; R534-S538 WeakPolarHBondContact O-CB 2.98Å; R534-S538 PolarHBondContact O-N 3.25Å; H535-S538 PolarHBondContact O-N 3.24Å; Y536-S538 PolarHBondContact O-N 2.91Å; S538-L540 PolarHBondContact O-N 3.02Å; S538-A541 PolarHBondContact O-N 3.36Å; S538-M542 WeakPolarHBondContact O-CB 3.49Å; S538-M542 VanDerWaalsContact O-CG 3.26Å; S538-M542 WeakPolarHBondContact O-CG 3.42Å; S538-M542 PolarHBondContact O-N 3.08Å
539K91.4Very high87.7Confident136 Ų13673.3 Ų73.359%0.59135%0.351SS*.Hα-helixtrans-61.7-43175.5-173.9179.5-179.9177.90111.7H535 Y536 M542 G543H535-K539 WeakPolarHBondContact O-CB 3.46Å; H535-K539 PolarHBondContact O-N 3.21Å; Y536-K539 PolarHBondContact O-N 3.41Å; K539-M542 PolarHBondContact O-N 2.73Å; K539-G543 PolarHBondContact O-N 3.14Å
540L90.8Very high86.5Confident30 Ų3074.9 Ų74.916%0.15736%0.358CS..Hα-helixtrans-60.9-51.1176.7-175.666.7000111.1C439 V496 I510 Y536 L537 S538 M542 G543 Y544C439-L540 VanDerWaalsContact SG-CD2 3.5Å; V496-L540 HydrophobicContact CG2-CD2 4.45Å; I510-L540 HydrophobicContact CD1-CD2 4.12Å; I510-L540 HydrophobicContact CD1-CG 4.18Å; I510-L540 HydrophobicContact CG2-CD2 4.12Å; Y536-L540 HydrophobicContact CE1-CD2 4.39Å; Y536-L540 WeakPolarHBondContact O-CB 3.46Å; Y536-L540 PolarHBondContact O-N 3.02Å; L537-L540 HydrophobicContact CD2-CD2 4.37Å; L537-L540 PolarHBondContact O-N 3.42Å; S538-L540 PolarHBondContact O-N 3.02Å; L540-M542 VanDerWaalsContact C-N 3.34Å; L540-M542 PolarHBondContact O-N 2.89Å; L540-G543 PolarHBondContact O-N 3.49Å; L540-Y544 HydrophobicContact CD1-CD2 4.13Å; L540-Y544 HydrophobicContact CD1-CE2 3.78Å; L540-Y544 HydrophobicContact CG-CD2 4.34Å; L540-Y544 HydrophobicContact CG-CE2 4.35Å; L540-Y544 WeakPolarHBondContact O-CD2 3.49Å; L540-Y544 PolarHBondContact O-N 3.31Å; L540-Y544 VanDerWaalsContact O-N 3.16Å
541A88.6Confident84.9Confident22 Ų2277.8 Ų77.818%0.18237%0.373CS..Hα-helixtrans-60.2-42.1178.400000112.2I510 L537 S538 G543 Y544 R545I510-A541 HydrophobicContact CD1-CB 3.91Å; L537-A541 VanDerWaalsContact O-CB 3.31Å; L537-A541 WeakPolarHBondContact O-CB 3.12Å; L537-A541 PolarHBondContact O-N 3.08Å; S538-A541 PolarHBondContact O-N 3.36Å; A541-G543 PolarHBondContact O-N 3.49Å; A541-Y544 PolarHBondContact O-N 3.33Å; A541-R545 WeakPolarHBondContact O-CB 3.41Å; A541-R545 PolarHBondContact O-N 3.31Å
542M88.8Confident83.7Confident110 Ų11073.6 Ų73.654%0.54236%0.358SS..Hα-helixtrans-61.6-42.7175.3-74.6177.768.600112.3S538 K539 L540 Y544 R545 Q546S538-M542 WeakPolarHBondContact O-CB 3.49Å; S538-M542 VanDerWaalsContact O-CG 3.26Å; S538-M542 WeakPolarHBondContact O-CG 3.42Å; S538-M542 PolarHBondContact O-N 3.08Å; K539-M542 PolarHBondContact O-N 2.73Å; L540-M542 VanDerWaalsContact C-N 3.34Å; L540-M542 PolarHBondContact O-N 2.89Å; M542-Y544 PolarHBondContact O-N 3.25Å; M542-R545 PolarHBondContact O-N 2.92Å; M542-Q546 WeakPolarHBondContact O-CG 3.32Å; M542-Q546 PolarHBondContact O-N 3.44Å; M542-Q546 VanDerWaalsContact O-N 3.08Å
543G88.8Confident82.4Confident37 Ų3779.3 Ų79.338%0.38138%0.383SS..Hα-helixtrans-58.8-46.7177.900000112.3K539 L540 A541 Q546 S547K539-G543 PolarHBondContact O-N 3.14Å; L540-G543 PolarHBondContact O-N 3.49Å; A541-G543 PolarHBondContact O-N 3.49Å; G543-Q546 PolarHBondContact O-N 2.95Å; G543-S547 PolarHBondContact O-N 3.34Å; G543-S547 PolarHBondContact O-OG 2.72Å
544Y85.4Confident81.4Confident47 Ų4782.5 Ų82.518%0.18440%0.404CS..Hα-helixtrans-71.2-33.3177.1-82.3-84.8000113.4V436 S437 V496 L508 L540 A541 M542 Q546 S547 D548 F552V436-Y544 HydrophobicContact CG1-CE1 4.47Å; S437-Y544 WeakPolarHBondContact CB-OH 3.45Å; S437-Y544 PolarHBondContact OG-OH 3.32Å; V496-Y544 HydrophobicContact CG1-CD1 4.49Å; V496-Y544 HydrophobicContact CG1-CE1 4.23Å; V496-Y544 HydrophobicContact CG1-CE2 4.43Å; V496-Y544 HydrophobicContact CG2-CD2 4.38Å; V496-Y544 HydrophobicContact CG2-CE2 3.72Å; L508-Y544 HydrophobicContact CD1-CD1 3.95Å; L508-Y544 HydrophobicContact CD1-CG 4.5Å; L540-Y544 HydrophobicContact CD1-CD2 4.13Å; L540-Y544 HydrophobicContact CD1-CE2 3.78Å; L540-Y544 HydrophobicContact CG-CD2 4.34Å; L540-Y544 HydrophobicContact CG-CE2 4.35Å; L540-Y544 WeakPolarHBondContact O-CD2 3.49Å; L540-Y544 PolarHBondContact O-N 3.31Å; L540-Y544 VanDerWaalsContact O-N 3.16Å; A541-Y544 PolarHBondContact O-N 3.33Å; M542-Y544 PolarHBondContact O-N 3.25Å; Y544-Q546 VanDerWaalsContact C-N 3.28Å; Y544-Q546 PolarHBondContact O-N 2.8Å; Y544-S547 WeakPolarHBondContact CA-OG 3.37Å; Y544-S547 PolarHBondContact O-N 3.25Å; Y544-S547 PolarHBondContact O-OG 3.43Å; Y544-S547 VanDerWaalsContact O-OG 3.07Å; Y544-D548 PolarHBondContact O-N 3.43Å; Y544-F552 HydrophobicContact CG-CE1 4.15Å; Y544-F552 HydrophobicContact CG-CZ 4.46Å
545R82.6Confident80.5Confident178 Ų17876 Ų7667%0.67238%0.384SS*.Hα-helixtrans-63-36.5176-170.4177179.7-1770.5112.3A541 M542 K549 F552A541-R545 WeakPolarHBondContact O-CB 3.41Å; A541-R545 PolarHBondContact O-N 3.31Å; M542-R545 PolarHBondContact O-N 2.92Å; R545-K549 WeakPolarHBondContact O-CA 3.39Å; R545-K549 PolarHBondContact O-N 2.9Å; R545-F552 HydrophobicContact CB-CD2 3.92Å; R545-F552 HydrophobicContact CB-CE2 3.64Å; R545-F552 HydrophobicContact CB-CZ 4.44Å; R545-F552 HydrophobicContact CG-CD2 4.27Å; R545-F552 HydrophobicContact CG-CE2 4.16Å
546Q80.8Confident79.6Confident153 Ų15375.8 Ų75.872%0.71538%0.384SS*.Hα-helixtrans-68.7-36.2174.9-70.9174-6.700112.3M542 G543 Y544M542-Q546 WeakPolarHBondContact O-CG 3.32Å; M542-Q546 PolarHBondContact O-N 3.44Å; M542-Q546 VanDerWaalsContact O-N 3.08Å; G543-Q546 PolarHBondContact O-N 2.95Å; Y544-Q546 VanDerWaalsContact C-N 3.28Å; Y544-Q546 PolarHBondContact O-N 2.8Å
547S77.8Confident78.5Confident66 Ų6675 Ų7546%0.46238%0.383SS..Hα-helixtrans-84.6-38.5-176.961.80000114.8G543 Y544G543-S547 PolarHBondContact O-N 3.34Å; G543-S547 PolarHBondContact O-OG 2.72Å; Y544-S547 WeakPolarHBondContact CA-OG 3.37Å; Y544-S547 PolarHBondContact O-N 3.25Å; Y544-S547 PolarHBondContact O-OG 3.43Å; Y544-S547 VanDerWaalsContact O-OG 3.07Å
548D71.6Confident77.5Confident53 Ų5379.7 Ų79.728%0.28340%0.401SS..Hα-helixtrans-110.9-9.5-169-134.7-12.6000113.1R498 L508 Y544 Q550R498-D548 IonicContact NH2-OD2 3.92Å; R498-D548 PolarHBondContact NH2-OD2 3.35Å; L508-D548 HydrophobicContact CD1-CB 4.47Å; Y544-D548 PolarHBondContact O-N 3.43Å; D548-Q550 WeakPolarHBondContact O-CG 3.15Å; D548-Q550 PolarHBondContact O-N 2.93Å
549K62.5Low76.2Confident191 Ų19179.9 Ų79.983%0.8339%0.394SS*.  trans52.720179.9-63.5-174.7179.51790116R545R545-K549 WeakPolarHBondContact O-CA 3.39Å; R545-K549 PolarHBondContact O-N 2.9Å
550Q67.3Low74.6Confident34 Ų3475.9 Ų75.916%0.15938%0.378CS..  trans-100.9171.2-177.8-72.2-179.630.800114S506 D548 F552S506-Q550 PolarHBondContact O-OE1 3.19Å; D548-Q550 WeakPolarHBondContact O-CG 3.15Å; D548-Q550 PolarHBondContact O-N 2.93Å; Q550-F552 WeakPolarHBondContact O-CD2 3.43Å; Q550-F552 WeakPolarHBondContact O-CE2 2.96Å
551V59.1Low72.6Confident93 Ų9379 Ų7956%0.56439%0.394SS*.  trans-76.9136.7176.5179.80000109.7P507 L508 F553P507-V551 HydrophobicContact CB-CB 4.31Å; P507-V551 VanDerWaalsContact CB-O 3.23Å; P507-V551 WeakPolarHBondContact CB-O 3.41Å; L508-V551 PolarHBondContact N-O 3.22Å; V551-F553 HydrophobicContact CG1-CD2 4.49Å; V551-F553 HydrophobicContact CG1-CE2 3.83Å; V551-F553 HydrophobicContact CG1-CZ 4.14Å
552F68.2Low70.2Confident39 Ų3983.1 Ų83.117%0.17142%0.422CS..EExtended strand (participates in β ladder)trans-114.6135.4-177-74.3-92.1000110.9L508 I510 Y544 R545 Q550L508-F552 HydrophobicContact CB-CD1 4.05Å; L508-F552 HydrophobicContact CB-CE1 3.67Å; L508-F552 HydrophobicContact CB-CZ 4.25Å; L508-F552 HydrophobicContact CD1-CE1 3.7Å; L508-F552 HydrophobicContact CD1-CZ 3.81Å; L508-F552 HydrophobicContact CG-CE1 4.25Å; L508-F552 HydrophobicContact CG-CZ 4.46Å; I510-F552 HydrophobicContact CD1-CD1 4.41Å; Y544-F552 HydrophobicContact CG-CE1 4.15Å; Y544-F552 HydrophobicContact CG-CZ 4.46Å; R545-F552 HydrophobicContact CB-CD2 3.92Å; R545-F552 HydrophobicContact CB-CE2 3.64Å; R545-F552 HydrophobicContact CB-CZ 4.44Å; R545-F552 HydrophobicContact CG-CD2 4.27Å; R545-F552 HydrophobicContact CG-CE2 4.16Å; Q550-F552 WeakPolarHBondContact O-CD2 3.43Å; Q550-F552 WeakPolarHBondContact O-CE2 2.96Å
553F68.4Low67.6Low120 Ų12081 Ų8153%0.52642%0.418SS..EExtended strand (participates in β ladder)trans-117136.9162.8-65-83.5000108.8L508 L509 I510 V551L508-F553 PolarHBondContact O-N 3.44Å; L509-F553 HydrophobicContact CD1-CB 3.73Å; I510-F553 PolarHBondContact N-O 2.76Å; V551-F553 HydrophobicContact CG1-CD2 4.49Å; V551-F553 HydrophobicContact CG1-CE2 3.83Å; V551-F553 HydrophobicContact CG1-CZ 4.14Å
554C72.2Confident65.1Low67 Ų6780.9 Ų80.945%0.45341%0.409SS..EExtended strand (participates in β ladder)trans-117.1111.3176-174.40000109.3I510I510-C554 HydrophobicContact CB-CB 4.47Å
555L74.6Confident62.6Low55 Ų5586.8 Ų86.829%0.28844%0.438SS..EExtended strand (participates in β ladder)trans-99.7109.2173.8178.568000109V318 L509 I510 V511 S512 V557V318-L555 HydrophobicContact CB-CD2 4.35Å; V318-L555 HydrophobicContact CG1-CD2 4.03Å; V318-L555 HydrophobicContact CG2-CD2 3.52Å; L509-L555 HydrophobicContact CD1-CB 4.47Å; I510-L555 PolarHBondContact O-N 3.03Å; V511-L555 WeakPolarHBondContact CA-O 3.37Å; V511-L555 HydrophobicContact CG1-CD2 4.33Å; V511-L555 HydrophobicContact CG2-CD2 4.47Å; S512-L555 PolarHBondContact N-O 2.7Å; L555-V557 HydrophobicContact CD1-CG2 4.49Å; L555-V557 HydrophobicContact CD2-CG2 4.12Å; L555-V557 HydrophobicContact CG-CG2 3.99Å
556L74.6Confident60.2Low53 Ų5387 Ų8728%0.27745%0.446SS..EExtended strand (participates in β ladder)trans-96115169.7178.262.6000109.5L492 V533 L537 Y558L492-L556 HydrophobicContact CD1-CD1 4.18Å; V533-L556 HydrophobicContact CG1-CD1 3.66Å; V533-L556 HydrophobicContact CG1-CD2 3.64Å; V533-L556 HydrophobicContact CG1-CG 4.28Å; L537-L556 HydrophobicContact CD1-CB 4.36Å; L537-L556 HydrophobicContact CD1-CD1 4.16Å; L556-Y558 HydrophobicContact CD2-CD1 3.99Å; L556-Y558 HydrophobicContact CD2-CE1 4.41Å; L556-Y558 HydrophobicContact CG-CD1 3.85Å
557V72.3Confident58Low17 Ų1783.3 Ų83.310%0.10344%0.437CS..EExtended strand (participates in β ladder)trans-101.7121.5170.5-175.10000107.9V318 S320 C369 S512 N513 A514 L555V318-V557 HydrophobicContact CG1-CG2 3.77Å; S320-V557 WeakPolarHBondContact OG-CG1 3.06Å; C369-V557 HydrophobicContact CB-CB 4.05Å; C369-V557 HydrophobicContact CB-CG1 3.74Å; C369-V557 HydrophobicContact CB-CG2 4.49Å; S512-V557 PolarHBondContact O-N 3.43Å; N513-V557 VanDerWaalsContact CA-O 3.29Å; N513-V557 WeakPolarHBondContact CA-O 3.41Å; A514-V557 PolarHBondContact N-O 3.43Å; L555-V557 HydrophobicContact CD1-CG2 4.49Å; L555-V557 HydrophobicContact CD2-CG2 4.12Å; L555-V557 HydrophobicContact CG-CG2 3.99Å
558Y70.5Confident56Low108 Ų10882.9 Ų82.942%0.42443%0.434SS..EExtended strand (participates in β ladder)trans-141.1151179.264.4-77.7000110.4A514 F516 L556 L560A514-Y558 WeakPolarHBondContact O-CA 3.46Å; F516-Y558 HydrophobicContact CD2-CD2 4.01Å; F516-Y558 AromaticContact CE2-CD2 3.86Å; F516-Y558 HydrophobicContact CE2-CD2 3.86Å; F516-Y558 HydrophobicContact CE2-CE2 4.37Å; F516-Y558 HydrophobicContact CE2-CG 4.29Å; L556-Y558 HydrophobicContact CD2-CD1 3.99Å; L556-Y558 HydrophobicContact CD2-CE1 4.41Å; L556-Y558 HydrophobicContact CG-CD1 3.85Å; Y558-L560 HydrophobicContact CD2-CD1 4.15Å; Y558-L560 HydrophobicContact CD2-CG 3.92Å; Y558-L560 HydrophobicContact CE2-CD1 3.58Å; Y558-L560 HydrophobicContact CE2-CG 3.88Å
559F63.7Low54.1Low69 Ų6986.7 Ų86.730%0.30345%0.454SS..EExtended strand (participates in β ladder)trans-107.2134.1176.8-169-103.1000110.8N322 Q371 A514 H515 L561N322-F559 HydrophobicContact CB-CD1 4.34Å; N322-F559 HydrophobicContact CB-CE1 4.37Å; Q371-F559 HydrophobicContact CG-CB 4.49Å; A514-F559 PolarHBondContact O-N 3.25Å; H515-F559 AromaticContact NE2-CD1 3.93Å; F559-L561 HydrophobicContact CE1-CG 4.02Å
560L57.5Low52.5Low51 Ų5184.6 Ų84.627%0.26745%0.452SS..  trans-128.5126.3172.9-74.5178.9000108.9F516 R526 Y558 S562F516-L560 HydrophobicContact CB-CD2 3.94Å; F516-L560 HydrophobicContact CD2-CD2 4.01Å; F516-L560 HydrophobicContact CG-CD2 4.48Å; R526-L560 HydrophobicContact CG-CD2 4.28Å; Y558-L560 HydrophobicContact CD2-CD1 4.15Å; Y558-L560 HydrophobicContact CD2-CG 3.92Å; Y558-L560 HydrophobicContact CE2-CD1 3.58Å; Y558-L560 HydrophobicContact CE2-CG 3.88Å; L560-S562 PolarHBondContact O-N 3.01Å
561L49.4Very low50.8Low95 Ų9591.8 Ų91.850%0.49748%0.479SS..  trans-68126.4165.2-90.4152000108.6F518 F559 S563F518-L561 HydrophobicContact CB-CD1 3.86Å; F559-L561 HydrophobicContact CE1-CG 4.02Å; L561-S563 PolarHBondContact O-N 3.36Å
562S37.4Very low49.3Very low109 Ų10991.6 Ų91.676%0.76248%0.482SS*.SBendtrans-63.499.2-170.657.30000112.6L560L560-S562 PolarHBondContact O-N 3.01Å
563S35.3Very low47.2Very low66 Ų6699.3 Ų99.346%0.46251%0.511SS..SBendtrans-129.58.2147.470.50000112.6L561L561-S563 PolarHBondContact O-N 3.36Å
564L35.5Very low45.2Very low35 Ų35104.8 Ų104.818%0.18353%0.53CS..  trans-116.220.2-173.6-71.3164.3000114.1H566 S567 C568L564-H566 PolarHBondContact O-N 3.45Å; L564-S567 WeakPolarHBondContact CD2-OG 3.34Å; L564-S567 PolarHBondContact O-N 3.29Å; L564-C568 PolarHBondContact O-N 3.22Å
565Q33.1Very low42.9Very low171 Ų171113.6 Ų113.680%0.79956%0.564SS**THydrogen-bonded Turntrans-60.6-14.6170.1-148.7170.80.300112
566H32.9Very low41.3Very low183 Ų183116.5 Ų116.585%0.84758%0.578SS**THydrogen-bonded Turntrans-102.3-1.9177.8-78.9-57000116.6L564L564-H566 PolarHBondContact O-N 3.45Å
567S35.3Very low39.5Very low75 Ų75119.8 Ų119.852%0.52459%0.594SS.*THydrogen-bonded Turntrans-132.810.5178.586.20000114.6L564L564-S567 WeakPolarHBondContact CD2-OG 3.34Å; L564-S567 PolarHBondContact O-N 3.29Å
568C35.8Very low37.7Very low57 Ų57125.6 Ų125.639%0.38562%0.621SS.*  trans-100.76.4174.9-76.40000113.5L564 D570 Y571L564-C568 PolarHBondContact O-N 3.22Å; C568-D570 PolarHBondContact O-N 2.79Å; C568-Y571 PolarHBondContact O-N 2.94Å
569D30.2Very low35.8Very low132 Ų132126.6 Ų126.671%0.70663%0.633SS**THydrogen-bonded Turntrans-68-10.4174.1-72.3-25.4000113.3Y571D569-Y571 PolarHBondContact O-N 3.47Å
570D29.9Very low34Very low148 Ų148130.2 Ų130.279%0.79165%0.653SS**THydrogen-bonded Turntrans-865.7177.4-82.2-18.8000115.1C568 S572C568-D570 PolarHBondContact O-N 2.79Å; D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 3.44Å
571Y31.7Very low32.5Very low184 Ų184135.5 Ų135.572%0.72268%0.679SS**  trans-99.355.4169.3-76-77.2000111.6C568 D569C568-Y571 PolarHBondContact O-N 2.94Å; D569-Y571 PolarHBondContact O-N 3.47Å
572S26.2Very low31.2Very low89 Ų89138.4 Ų138.462%0.62269%0.692SS**  trans-75.9125.4162.533.90000109.7D570D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 3.44Å
573Y24.2Very low30.8Very low201 Ų201140.6 Ų140.679%0.78869%0.687SS**  trans45.197.3152.1-88.7-96.1000118.3
574Y27.8Very low30.4Very low235 Ų235146.8 Ų146.892%0.92271%0.706SS**  trans-143.1113.7134.2-89.2-76.7000108.5
575Q22.3Very low29.9Very low252 Ų252157 Ų157100%1.17875%0.753SS**  trans-58.10174-79.6179.4-36.100112.1

Retrieved 575 of 575 residues in 1023.6 ms (Link to these results)

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