A0A3Q0KFN5_SCHMA Loading...

Meckel syndrome type 1 protein

AlphaFold DB , UniProt , Accession A0A3Q0KFN5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 517 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
1M29.3Very low41.1Very low242 Ų242107.5 Ų107.5100%1.19255%0.552SS**  091.30-66.5-91.4-134.500107.4G3M1-G3 PolarHBondContact O-N 3.37Å
2R28.1Very low42.2Very low241 Ų241102.1 Ų102.191%0.90953%0.528SS*.  trans-66.2115.6173.5-79.5-176.9-175.7175.41.5106.4F4R2-F4 PolarHBondContact O-N 3.39Å; R2-F4 VanDerWaalsContact O-N 3.15Å
3G25.9Very low43.7Very low59 Ų5998.8 Ų98.861%0.60853%0.534SS*.  trans-57.1118.9174.500000108.3M1 D5M1-G3 PolarHBondContact O-N 3.37Å; G3-D5 PolarHBondContact O-N 3.27Å
4F32Very low45.3Very low140 Ų14095.5 Ų95.561%0.61452%0.52SS*.  trans-74.682.3163.2-74.7-86.2000105.7R2 S6R2-F4 PolarHBondContact O-N 3.39Å; R2-F4 VanDerWaalsContact O-N 3.15Å; F4-S6 PolarHBondContact O-N 3.4Å
5D34.6Very low46.9Very low124 Ų12493.1 Ų93.166%0.66351%0.507SS*.  trans-62.1104.9173.1-74.3-32.2000107G3 E7G3-D5 PolarHBondContact O-N 3.27Å; D5-E7 HydrophobicContact CB-CG 4.08Å; D5-E7 PolarHBondContact O-N 2.75Å
6S39.2Very low48.3Very low45 Ų4599 Ų9932%0.31552%0.519SS..  trans-67.584161.850.30000106.8F4 T8F4-S6 PolarHBondContact O-N 3.4Å; S6-T8 PolarHBondContact O-N 3.38Å
7E46.6Very low49.8Very low92 Ų9296.5 Ų96.543%0.4351%0.506SS..  trans-68.1123.7-179.8-81.2-170.6-152.700109.4D5 Y9 R207D5-E7 HydrophobicContact CB-CG 4.08Å; D5-E7 PolarHBondContact O-N 2.75Å; E7-Y9 PolarHBondContact O-N 3.38Å; E7-R207 IonicContact OE1-CZ 3.01Å; E7-R207 IonicContact OE1-NH1 3.02Å; E7-R207 PolarHBondContact OE1-NH1 2.9Å; E7-R207 IonicContact OE1-NH2 3.06Å; E7-R207 IonicContact OE2-CZ 3.3Å; E7-R207 VanDerWaalsContact OE2-CZ 3.26Å; E7-R207 IonicContact OE2-NH1 2.7Å; E7-R207 PolarHBondContact OE2-NH1 3.07Å; E7-R207 IonicContact OE2-NH2 3.44Å; E7-R207 PolarHBondContact OE2-NH2 3.25Å
8T49.8Very low51.7Low82 Ų8291.2 Ų91.250%0.50348%0.478SS..  trans-84109.9175-47.90000107.3S6 V10 L198S6-T8 PolarHBondContact O-N 3.38Å; T8-V10 PolarHBondContact O-N 2.99Å; T8-L198 HydrophobicContact CG2-CD1 3.78Å
9Y55Low53.6Low41 Ų4187.1 Ų87.116%0.16146%0.458CS..  trans-75.7116.4178.2-58.7-79.5000109.6E7 D204 F205 R207E7-Y9 PolarHBondContact O-N 3.38Å; Y9-D204 PolarHBondContact OH-OD1 3.22Å; Y9-F205 HydrophobicContact CD1-CD2 4.43Å; Y9-F205 HydrophobicContact CD1-CE2 4.26Å; Y9-F205 HydrophobicContact CD2-CD2 4.49Å; Y9-F205 AromaticContact CD2-CE2 3.96Å; Y9-F205 HydrophobicContact CD2-CE2 3.96Å; Y9-F205 AromaticContact CE1-CD2 3.71Å; Y9-F205 HydrophobicContact CE1-CD2 3.71Å; Y9-F205 AromaticContact CE1-CE2 3.97Å; Y9-F205 HydrophobicContact CE1-CE2 3.97Å; Y9-F205 AromaticContact CE2-CD2 3.78Å; Y9-F205 HydrophobicContact CE2-CD2 3.78Å; Y9-F205 AromaticContact CE2-CE2 3.64Å; Y9-F205 HydrophobicContact CE2-CE2 3.64Å; Y9-F205 HydrophobicContact CG-CE2 4.26Å; Y9-F205 AromaticContact CZ-CD2 3.35Å; Y9-F205 AromaticContact CZ-CE2 3.67Å; Y9-F205 WeakPolarHBondContact OH-CD2 2.81Å; Y9-R207 VanDerWaalsContact CE1-NH2 3.34Å; Y9-R207 PolarHBondContact OH-NH2 2.66Å
10V55.8Low55.4Low84 Ų8482.8 Ų82.851%0.50944%0.435SS..  trans-94.5108.7173-176.10000107.9T8 M233T8-V10 PolarHBondContact O-N 2.99Å; V10-M233 HydrophobicContact CB-CE 4.39Å; V10-M233 HydrophobicContact CG1-CE 4.09Å
11I55.4Low57.2Low33 Ų3382.5 Ų82.517%0.16943%0.428CS..  trans-80.2126.3172.6-62.4145000107.6L15 N17 F18 L199I11-L15 HydrophobicContact CD1-CD1 4.09Å; I11-N17 HydrophobicContact CG2-CB 4.47Å; I11-F18 HydrophobicContact CD1-CB 3.72Å; I11-F18 HydrophobicContact CD1-CD2 3.4Å; I11-F18 HydrophobicContact CD1-CE2 4.18Å; I11-F18 HydrophobicContact CD1-CG 3.74Å; I11-F18 HydrophobicContact CG1-CB 4.31Å; I11-F18 HydrophobicContact CG1-CD2 3.73Å; I11-F18 HydrophobicContact CG1-CG 4.41Å; I11-L199 HydrophobicContact CD1-CD1 3.85Å
12T54.6Low60.2Low42 Ų4271 Ų7126%0.25837%0.372SS..SBendtrans-77.3127.7171.647.50000110.8L231 M233T12-L231 PolarHBondContact OG1-O 3.15Å; T12-L231 VanDerWaalsContact OG1-O 3.13Å; T12-M233 HydrophobicContact CG2-CB 3.36Å; T12-M233 HydrophobicContact CG2-CG 3.52Å; T12-M233 HydrophobicContact CG2-SD 3.66Å
13G61.6Low63.3Low59 Ų5961.8 Ų61.861%0.60834%0.338SS*.SBendtrans86-163.4177.700000112.9
14P65.9Low66.4Low53 Ų5359 Ų5934%0.34431%0.309SS..  trans-66.6146.2-175.727.3-34.3000110.8R16 N17P14-R16 HydrophobicContact CB-CG 3.89Å; P14-R16 HydrophobicContact CG-CG 3.76Å; P14-R16 VanDerWaalsContact CG-NE 3.26Å; P14-R16 PolarHBondContact O-N 3.2Å; P14-N17 WeakPolarHBondContact O-CB 3.22Å; P14-N17 PolarHBondContact O-N 3.21Å
15L70.1Confident69.1Low60 Ų6053.4 Ų53.431%0.31429%0.285SS..G310 helixtrans-53.1-24.7-179-17963.8000114.3I11 N17 F18 W44 I193 L199I11-L15 HydrophobicContact CD1-CD1 4.09Å; L15-N17 PolarHBondContact O-N 3.23Å; L15-N17 VanDerWaalsContact O-N 3.11Å; L15-F18 HydrophobicContact CD1-CB 4.41Å; L15-F18 VanDerWaalsContact O-CB 3.23Å; L15-F18 WeakPolarHBondContact O-CB 2.93Å; L15-F18 PolarHBondContact O-N 3.25Å; L15-W44 HydrophobicContact CD1-CG 4.39Å; L15-W44 VanDerWaalsContact CD2-CD1 3.48Å; L15-W44 HydrophobicContact CD2-CD2 4.46Å; L15-W44 HydrophobicContact CD2-CG 4.18Å; L15-W44 VanDerWaalsContact CD2-NE1 3.26Å; L15-W44 HydrophobicContact CG-CB 4.47Å; L15-W44 VanDerWaalsContact CG-CD1 3.5Å; L15-W44 HydrophobicContact CG-CD2 4.49Å; L15-W44 HydrophobicContact CG-CG 3.89Å; L15-I193 HydrophobicContact CD1-CD1 3.47Å; L15-I193 VanDerWaalsContact CD1-CD1 3.47Å; L15-I193 HydrophobicContact CD2-CD1 3.32Å; L15-I193 HydrophobicContact CG-CD1 3.91Å; L15-L199 HydrophobicContact CD1-CD1 3.89Å
16R68.8Low71.5Confident187 Ų18748.2 Ų48.271%0.70626%0.258SS*.G310 helixtrans-57.9-18.2171.970.2-169.4175.5-142.61.3114.5P14 F18P14-R16 HydrophobicContact CB-CG 3.89Å; P14-R16 HydrophobicContact CG-CG 3.76Å; P14-R16 VanDerWaalsContact CG-NE 3.26Å; P14-R16 PolarHBondContact O-N 3.2Å; R16-F18 VanDerWaalsContact C-N 3.28Å
17N74.1Confident73.5Confident56 Ų5649.6 Ų49.630%0.29926%0.256SS..G310 helixtrans-85.2-2.7176.4-63.9-2000112.6I11 P14 L15 S19I11-N17 HydrophobicContact CG2-CB 4.47Å; P14-N17 WeakPolarHBondContact O-CB 3.22Å; P14-N17 PolarHBondContact O-N 3.21Å; L15-N17 PolarHBondContact O-N 3.23Å; L15-N17 VanDerWaalsContact O-N 3.11Å; N17-S19 PolarHBondContact O-N 3.21Å
18F83.9Confident74.4Confident2 Ų252.4 Ų52.41%0.00927%0.27CS..  trans-74.7120.8175.4-178.1-114.7000110.2I11 L15 R16 I20 H43 W44 I191 L199 F205 S230I11-F18 HydrophobicContact CD1-CB 3.72Å; I11-F18 HydrophobicContact CD1-CD2 3.4Å; I11-F18 HydrophobicContact CD1-CE2 4.18Å; I11-F18 HydrophobicContact CD1-CG 3.74Å; I11-F18 HydrophobicContact CG1-CB 4.31Å; I11-F18 HydrophobicContact CG1-CD2 3.73Å; I11-F18 HydrophobicContact CG1-CG 4.41Å; L15-F18 HydrophobicContact CD1-CB 4.41Å; L15-F18 VanDerWaalsContact O-CB 3.23Å; L15-F18 WeakPolarHBondContact O-CB 2.93Å; L15-F18 PolarHBondContact O-N 3.25Å; R16-F18 VanDerWaalsContact C-N 3.28Å; F18-I20 HydrophobicContact CE1-CD1 3.49Å; F18-I20 VanDerWaalsContact CE1-CD1 3.49Å; F18-I20 HydrophobicContact CE1-CG1 3.69Å; F18-I20 HydrophobicContact CE2-CG1 4.28Å; F18-I20 HydrophobicContact CZ-CD1 3.52Å; F18-I20 HydrophobicContact CZ-CG1 3.56Å; F18-H43 WeakPolarHBondContact O-CA 3.26Å; F18-W44 HydrophobicContact CB-CB 4.27Å; F18-W44 HydrophobicContact CD1-CB 4.29Å; F18-W44 PolarHBondContact O-N 3.49Å; F18-W44 VanDerWaalsContact O-N 3.08Å; F18-I191 HydrophobicContact CE1-CD1 4.22Å; F18-I191 HydrophobicContact CE1-CG2 4.07Å; F18-L199 HydrophobicContact CD1-CD1 3.83Å; F18-L199 HydrophobicContact CD2-CD1 4.26Å; F18-L199 HydrophobicContact CE1-CD1 3.8Å; F18-L199 HydrophobicContact CE1-CD2 4.17Å; F18-L199 HydrophobicContact CE2-CD1 4.25Å; F18-L199 HydrophobicContact CE2-CD2 3.94Å; F18-L199 HydrophobicContact CG-CD1 4.03Å; F18-L199 HydrophobicContact CZ-CD1 3.99Å; F18-L199 HydrophobicContact CZ-CD2 3.62Å; F18-L199 HydrophobicContact CZ-CG 4.47Å; F18-F205 HydrophobicContact CE2-CZ 4.37Å; F18-F205 HydrophobicContact CZ-CZ 4.09Å; F18-S230 WeakPolarHBondContact CA-OG 3.44Å; F18-S230 WeakPolarHBondContact CD2-OG 3.41Å
19S88.5Confident74.9Confident13 Ų1351.8 Ų51.89%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-133.8133.1-178.6-60.90000110.9N17 F42 H43 I229 S230N17-S19 PolarHBondContact O-N 3.21Å; S19-F42 CarbonylContact C-O 3.49Å; S19-F42 VanDerWaalsContact CA-O 3.26Å; S19-F42 WeakPolarHBondContact CA-O 3.21Å; S19-H43 PolarHBondContact OG-CD2 3.07Å; S19-H43 PolarHBondContact OG-NE2 3.01Å; S19-I229 WeakPolarHBondContact O-CG1 3.25Å; S19-I229 PolarHBondContact O-N 2.82Å; S19-S230 PolarHBondContact N-OG 3.3Å; S19-S230 PolarHBondContact O-N 2.86Å; S19-S230 PolarHBondContact O-OG 3.03Å
20I90Very high75Confident1 Ų159.3 Ų59.31%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-117123.8175.6-62.1172.3000108.3F18 V22 V41 F42 I162 I191 F205 L226 E227F18-I20 HydrophobicContact CE1-CD1 3.49Å; F18-I20 VanDerWaalsContact CE1-CD1 3.49Å; F18-I20 HydrophobicContact CE1-CG1 3.69Å; F18-I20 HydrophobicContact CE2-CG1 4.28Å; F18-I20 HydrophobicContact CZ-CD1 3.52Å; F18-I20 HydrophobicContact CZ-CG1 3.56Å; I20-V22 HydrophobicContact CG2-CG2 3.92Å; I20-V41 CarbonylContact O-C 3.54Å; I20-V41 WeakPolarHBondContact O-CA 3.33Å; I20-F42 PolarHBondContact N-O 3.19Å; I20-F42 PolarHBondContact O-N 2.77Å; I20-I162 HydrophobicContact CB-CD1 4.3Å; I20-I162 HydrophobicContact CD1-CD1 4.16Å; I20-I162 HydrophobicContact CG2-CD1 4.27Å; I20-I191 HydrophobicContact CD1-CD1 3.41Å; I20-I191 VanDerWaalsContact CD1-CD1 3.41Å; I20-I191 HydrophobicContact CD1-CG1 3.85Å; I20-F205 HydrophobicContact CD1-CE1 3.91Å; I20-F205 HydrophobicContact CD1-CZ 4.16Å; I20-F205 HydrophobicContact CG1-CE1 3.81Å; I20-F205 HydrophobicContact CG1-CZ 4.12Å; I20-F205 HydrophobicContact CG2-CE1 4.08Å; I20-L226 HydrophobicContact CG2-CD2 4.44Å; I20-E227 WeakPolarHBondContact CA-O 3.39Å
21R92.1Very high75Confident76 Ų7658.5 Ų58.529%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-85.9128.8167.8179.7-170.5-72.9155.9-4109.4K23 E39 V41 E227 I229R21-K23 HydrophobicContact CG-CG 4.44Å; R21-E39 WeakPolarHBondContact CD-OE1 3.39Å; R21-E39 HydrophobicContact CG-CG 4.32Å; R21-E39 IonicContact NE-OE1 2.79Å; R21-E39 PolarHBondContact NE-OE1 3.14Å; R21-V41 HydrophobicContact CB-CG2 4.15Å; R21-V41 HydrophobicContact CG-CG2 4.23Å; R21-E227 HydrophobicContact CB-CB 4.29Å; R21-E227 WeakPolarHBondContact CD-OE2 3.41Å; R21-E227 PolarHBondContact N-O 3.23Å; R21-E227 IonicContact NH1-OE2 2.82Å; R21-E227 PolarHBondContact NH1-OE2 2.65Å; R21-E227 PolarHBondContact O-N 3.02Å; R21-I229 HydrophobicContact CB-CD1 4.37Å; R21-I229 HydrophobicContact CB-CG1 4.46Å; R21-I229 HydrophobicContact CB-CG2 3.73Å
22V92.9Very high75.1Confident0 Ų065 Ų650%033%0.334CS..EExtended strand (participates in β ladder)trans-117.5126.4175-177.20000108.8I20 E39 Y40 F42 L88 I162 L188 T225 L226I20-V22 HydrophobicContact CG2-CG2 3.92Å; V22-E39 WeakPolarHBondContact O-CA 3.49Å; V22-Y40 PolarHBondContact N-O 3.42Å; V22-Y40 PolarHBondContact O-N 2.83Å; V22-F42 HydrophobicContact CB-CD2 4.38Å; V22-F42 HydrophobicContact CB-CE2 4.26Å; V22-F42 HydrophobicContact CG2-CD2 3.96Å; V22-F42 HydrophobicContact CG2-CE2 4.2Å; V22-L88 HydrophobicContact CB-CD1 4.45Å; V22-L88 HydrophobicContact CG1-CD1 4.31Å; V22-L88 HydrophobicContact CG1-CD2 4.05Å; V22-I162 HydrophobicContact CG2-CD1 4.16Å; V22-I162 HydrophobicContact CG2-CG2 4.06Å; V22-L188 HydrophobicContact CG1-CD1 3.83Å; V22-T225 WeakPolarHBondContact CA-O 3.49Å; V22-L226 HydrophobicContact CB-CD2 4.47Å; V22-L226 HydrophobicContact CG1-CD2 4.26Å; V22-L226 HydrophobicContact CG2-CD2 3.65Å
23K92.5Very high75.6Confident48 Ų4868.9 Ų68.921%0.20935%0.349CS..EExtended strand (participates in β ladder)trans-115.2122.5171.2-52.5-173.2-177.5-149.80108.5R21 F25 L36 E39 F224 T225R21-K23 HydrophobicContact CG-CG 4.44Å; K23-F25 HydrophobicContact CB-CD2 4.47Å; K23-F25 HydrophobicContact CB-CE2 3.61Å; K23-F25 HydrophobicContact CB-CZ 3.88Å; K23-F25 HydrophobicContact CD-CZ 4.26Å; K23-L36 HydrophobicContact CB-CD1 3.8Å; K23-L36 HydrophobicContact CD-CD1 4.49Å; K23-L36 HydrophobicContact CG-CD1 4.45Å; K23-E39 WeakPolarHBondContact CD-OE2 3.31Å; K23-E39 VanDerWaalsContact CE-OE1 3.23Å; K23-E39 WeakPolarHBondContact CE-OE1 3.44Å; K23-E39 WeakPolarHBondContact CE-OE2 3.36Å; K23-E39 HydrophobicContact CG-CB 4.25Å; K23-E39 HydrophobicContact CG-CG 3.91Å; K23-E39 IonicContact NZ-OE1 3.42Å; K23-E39 PolarHBondContact NZ-OE1 3Å; K23-E39 IonicContact NZ-OE2 3.52Å; K23-E39 PolarHBondContact NZ-OE2 3.28Å; K23-F224 CarbonylContact O-C 3.56Å; K23-F224 WeakPolarHBondContact O-CA 3.3Å; K23-T225 WeakPolarHBondContact CB-OG1 3.18Å; K23-T225 PolarHBondContact N-O 2.83Å; K23-T225 PolarHBondContact O-N 2.84Å
24L91.3Very high76.1Confident0 Ų069.4 Ų69.40%034%0.336CS..EExtended strand (participates in β ladder)trans-102.3131.1176.6-172.967.2000109E37 E38 R87 L88 A164 L166 Y222 F224L24-E37 WeakPolarHBondContact O-CB 3.5Å; L24-E37 PolarHBondContact O-N 3.42Å; L24-E38 PolarHBondContact N-O 2.9Å; L24-E38 PolarHBondContact O-N 3.23Å; L24-R87 HydrophobicContact CD2-CB 4.29Å; L24-L88 HydrophobicContact CB-CD2 4.23Å; L24-L88 HydrophobicContact CD2-CD2 4.32Å; L24-A164 HydrophobicContact CD2-CB 4.09Å; L24-L166 HydrophobicContact CD2-CD2 4.42Å; L24-Y222 HydrophobicContact CD1-CD1 4.26Å; L24-Y222 HydrophobicContact CD2-CD1 4.32Å; L24-Y222 HydrophobicContact CG-CD1 4.18Å; L24-F224 HydrophobicContact CD1-CB 4.19Å
25F89.3Confident76.8Confident24 Ų2472.4 Ų72.411%0.10534%0.341CS..EExtended strand (participates in β ladder)trans-120.4136180-57.5-94.5000109.7K23 Q34 Y35 L36 K211 Y222 Y223 T225K23-F25 HydrophobicContact CB-CD2 4.47Å; K23-F25 HydrophobicContact CB-CE2 3.61Å; K23-F25 HydrophobicContact CB-CZ 3.88Å; K23-F25 HydrophobicContact CD-CZ 4.26Å; F25-Q34 HydrophobicContact CB-CB 4.21Å; F25-Y35 CarbonylContact C-O 3.59Å; F25-Y35 WeakPolarHBondContact CA-O 2.8Å; F25-Y35 WeakPolarHBondContact CB-O 3.48Å; F25-L36 HydrophobicContact CD1-CB 4.07Å; F25-L36 HydrophobicContact CD1-CD1 4.09Å; F25-L36 HydrophobicContact CE1-CB 3.96Å; F25-L36 HydrophobicContact CE1-CD1 3.69Å; F25-L36 HydrophobicContact CE1-CG 4.43Å; F25-L36 HydrophobicContact CE2-CD1 4.42Å; F25-L36 HydrophobicContact CZ-CD1 3.88Å; F25-K211 HydrophobicContact CD2-CD 3.8Å; F25-K211 HydrophobicContact CE2-CD 3.87Å; F25-K211 HydrophobicContact CG-CD 4.41Å; F25-Y222 CarbonylContact O-C 3.59Å; F25-Y222 VanDerWaalsContact O-CA 3.26Å; F25-Y222 WeakPolarHBondContact O-CA 3.19Å; F25-Y223 WeakPolarHBondContact CD2-O 3.14Å; F25-Y223 PolarHBondContact N-O 2.88Å; F25-Y223 PolarHBondContact O-N 2.98Å; F25-T225 HydrophobicContact CE2-CG2 4.12Å
26C85.2Confident77.4Confident15 Ų1573.9 Ų73.910%0.10135%0.349CS..EExtended strand (participates in β ladder)trans-104.4141.7174.8-174.20000110.4Y35 E37 Y222C26-Y35 PolarHBondContact N-O 2.83Å; C26-Y35 PolarHBondContact O-N 3.21Å; C26-Y35 VanDerWaalsContact O-N 3.08Å; C26-E37 HydrophobicContact CB-CB 4.3Å; C26-Y222 HydrophobicContact CB-CD1 3.92Å; C26-Y222 HydrophobicContact CB-CE1 3.69Å
27R79.5Confident78.1Confident73 Ų7368.4 Ų68.428%0.27533%0.331SS..EExtended strand (participates in β ladder)trans-111.7105.4172.1-174.2176.8-178.1169.83.1109.8S29 K30 S221 Y223R27-S29 VanDerWaalsContact CG-O 3.29Å; R27-S29 WeakPolarHBondContact CG-O 3.3Å; R27-S29 PolarHBondContact NE-O 2.71Å; R27-S29 VanDerWaalsContact NE-O 3.1Å; R27-K30 PolarHBondContact NH2-O 2.71Å; R27-S221 PolarHBondContact N-O 3Å; R27-Y223 HydrophobicContact CB-CE2 4.07Å
28Q66.6Low78.8Confident152 Ų15267 Ų6771%0.7132%0.323SS*.  trans-82.6-27.2-176.3-64.6-177.8-2.300113.4
29S59.9Low79.3Confident69 Ų6970.7 Ų70.748%0.48334%0.34SS..SBendtrans-140.3169.9-178.877.30000113.2R27 A31R27-S29 VanDerWaalsContact CG-O 3.29Å; R27-S29 WeakPolarHBondContact CG-O 3.3Å; R27-S29 PolarHBondContact NE-O 2.71Å; R27-S29 VanDerWaalsContact NE-O 3.1Å; S29-A31 PolarHBondContact O-N 3.28Å; S29-A31 VanDerWaalsContact O-O 3.11Å; S29-A31 WeakPolarHBondContact OG-CB 3.45Å; S29-A31 PolarHBondContact OG-N 3.34Å
30K57.4Low79.6Confident199 Ų19972.3 Ų72.387%0.86534%0.344SS*.SBendtrans-67.4-21.2173.8-78-173.8179179.30112.1R27R27-K30 PolarHBondContact NH2-O 2.71Å
31A55.7Low79.7Confident67 Ų6774 Ų7455%0.55436%0.355SS*.SBendtrans-63.1134.716800000108.9S29 E33S29-A31 PolarHBondContact O-N 3.28Å; S29-A31 VanDerWaalsContact O-O 3.11Å; S29-A31 WeakPolarHBondContact OG-CB 3.45Å; S29-A31 PolarHBondContact OG-N 3.34Å; A31-E33 PolarHBondContact O-N 2.86Å
32E56.6Low79.7Confident169 Ų16970.6 Ų70.679%0.7934%0.342SS*.SBendtrans-73.41.7-152.5-64.8-178.6143.500116.3Q34E32-Q34 PolarHBondContact O-N 3.08Å
33E66.6Low79.7Confident124 Ų12474.3 Ų74.358%0.57936%0.36SS*.  trans-74.4118.5-175.5-68.3-173.2-179.600112A31 Y35A31-E33 PolarHBondContact O-N 2.86Å; E33-Y35 HydrophobicContact CB-CE1 4.42Å; E33-Y35 HydrophobicContact CB-CE2 4.05Å; E33-Y35 PolarHBondContact OE2-OH 3.01Å
34Q71.3Confident79.5Confident69 Ų6973.4 Ų73.432%0.32236%0.355SS..  trans-95.1110.5172.8-61.917111.200107.9F25 E32 Y223F25-Q34 HydrophobicContact CB-CB 4.21Å; E32-Q34 PolarHBondContact O-N 3.08Å; Q34-Y223 HydrophobicContact CG-CD2 4.24Å
35Y80.7Confident79.3Confident116 Ų11675.9 Ų75.946%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-85.1137.8178.4-61.6-77.6000109.9F25 C26 E33 E37F25-Y35 CarbonylContact C-O 3.59Å; F25-Y35 WeakPolarHBondContact CA-O 2.8Å; F25-Y35 WeakPolarHBondContact CB-O 3.48Å; C26-Y35 PolarHBondContact N-O 2.83Å; C26-Y35 PolarHBondContact O-N 3.21Å; C26-Y35 VanDerWaalsContact O-N 3.08Å; E33-Y35 HydrophobicContact CB-CE1 4.42Å; E33-Y35 HydrophobicContact CB-CE2 4.05Å; E33-Y35 PolarHBondContact OE2-OH 3.01Å; Y35-E37 PolarHBondContact O-N 3.31Å
36L82.9Confident79.4Confident92 Ų9277.2 Ų77.248%0.48237%0.373SS..EExtended strand (participates in β ladder)trans-68.3112.6172.7179.868000108K23 F25 E39K23-L36 HydrophobicContact CB-CD1 3.8Å; K23-L36 HydrophobicContact CD-CD1 4.49Å; K23-L36 HydrophobicContact CG-CD1 4.45Å; F25-L36 HydrophobicContact CD1-CB 4.07Å; F25-L36 HydrophobicContact CD1-CD1 4.09Å; F25-L36 HydrophobicContact CE1-CB 3.96Å; F25-L36 HydrophobicContact CE1-CD1 3.69Å; F25-L36 HydrophobicContact CE1-CG 4.43Å; F25-L36 HydrophobicContact CE2-CD1 4.42Å; F25-L36 HydrophobicContact CZ-CD1 3.88Å; L36-E39 HydrophobicContact CD1-CB 4.49Å
37E83Confident79.7Confident71 Ų7178.1 Ų78.133%0.33238%0.375SS..EExtended strand (participates in β ladder)trans-83.7-46.9-179.4-173.775.8-176.600109.9L24 C26 Y35 R87L24-E37 WeakPolarHBondContact O-CB 3.5Å; L24-E37 PolarHBondContact O-N 3.42Å; C26-E37 HydrophobicContact CB-CB 4.3Å; Y35-E37 PolarHBondContact O-N 3.31Å; E37-R87 IonicContact OE1-CZ 2.99Å; E37-R87 IonicContact OE1-NE 2.72Å; E37-R87 PolarHBondContact OE1-NE 3.25Å; E37-R87 IonicContact OE1-NH2 2.85Å; E37-R87 PolarHBondContact OE1-NH2 2.82Å
38E89.6Confident80.2Confident28 Ų2875 Ų7513%0.13136%0.364CS..EExtended strand (participates in β ladder)trans-158.2145.2-175.9-167.1165.5-146.700111.4L24 T85 K86 R87 L88L24-E38 PolarHBondContact N-O 2.9Å; L24-E38 PolarHBondContact O-N 3.23Å; E38-T85 WeakPolarHBondContact OE1-CA 3.28Å; E38-T85 WeakPolarHBondContact OE1-CB 3.49Å; E38-K86 PolarHBondContact OE1-N 2.73Å; E38-R87 WeakPolarHBondContact OE2-CA 3.44Å; E38-R87 VanDerWaalsContact OE2-CB 3.27Å; E38-R87 WeakPolarHBondContact OE2-CB 3.45Å; E38-R87 PolarHBondContact OE2-N 3.41Å; E38-L88 HydrophobicContact CB-CD1 4.23Å; E38-L88 HydrophobicContact CB-CG 4.42Å; E38-L88 HydrophobicContact CG-CD1 3.97Å; E38-L88 HydrophobicContact CG-CG 4.24Å; E38-L88 PolarHBondContact OE2-N 3.36Å
39E93.3Very high81.4Confident78 Ų7868 Ų6836%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-131.8129.8173.9172.2168.1176.800109.2R21 V22 K23 L36R21-E39 WeakPolarHBondContact CD-OE1 3.39Å; R21-E39 HydrophobicContact CG-CG 4.32Å; R21-E39 IonicContact NE-OE1 2.79Å; R21-E39 PolarHBondContact NE-OE1 3.14Å; V22-E39 WeakPolarHBondContact O-CA 3.49Å; K23-E39 WeakPolarHBondContact CD-OE2 3.31Å; K23-E39 VanDerWaalsContact CE-OE1 3.23Å; K23-E39 WeakPolarHBondContact CE-OE1 3.44Å; K23-E39 WeakPolarHBondContact CE-OE2 3.36Å; K23-E39 HydrophobicContact CG-CB 4.25Å; K23-E39 HydrophobicContact CG-CG 3.91Å; K23-E39 IonicContact NZ-OE1 3.42Å; K23-E39 PolarHBondContact NZ-OE1 3Å; K23-E39 IonicContact NZ-OE2 3.52Å; K23-E39 PolarHBondContact NZ-OE2 3.28Å; L36-E39 HydrophobicContact CD1-CB 4.49Å
40Y94.8Very high82.8Confident47 Ų4764.7 Ų64.718%0.18431%0.308CS..EExtended strand (participates in β ladder)trans-144.4152176-165.9-97.2000112.4V22 F42 E46 I48 P84 T85V22-Y40 PolarHBondContact N-O 3.42Å; V22-Y40 PolarHBondContact O-N 2.83Å; Y40-F42 HydrophobicContact CD1-CD1 4.18Å; Y40-F42 AromaticContact CD1-CD2 3.81Å; Y40-F42 HydrophobicContact CD1-CD2 3.81Å; Y40-F42 HydrophobicContact CD1-CE1 4.19Å; Y40-F42 AromaticContact CD1-CE2 3.8Å; Y40-F42 HydrophobicContact CD1-CE2 3.8Å; Y40-F42 HydrophobicContact CD1-CG 4Å; Y40-F42 HydrophobicContact CD1-CZ 4Å; Y40-F42 HydrophobicContact CE1-CD1 4.36Å; Y40-F42 HydrophobicContact CE1-CG 4.41Å; Y40-F42 HydrophobicContact CG-CE2 4.45Å; Y40-E46 PolarHBondContact OH-OE1 3.47Å; Y40-E46 VanDerWaalsContact OH-OE1 3.1Å; Y40-I48 HydrophobicContact CD1-CD1 3.45Å; Y40-I48 VanDerWaalsContact CD1-CD1 3.45Å; Y40-I48 HydrophobicContact CE1-CD1 3.03Å; Y40-I48 HydrophobicContact CE1-CG1 4.33Å; Y40-I48 HydrophobicContact CE2-CD1 4.42Å; Y40-I48 HydrophobicContact CG-CD1 4.32Å; Y40-P84 HydrophobicContact CE2-CB 3.79Å; Y40-T85 HydrophobicContact CD1-CG2 4.26Å; Y40-T85 HydrophobicContact CD2-CG2 3.36Å; Y40-T85 HydrophobicContact CE2-CG2 4.03Å; Y40-T85 HydrophobicContact CG-CG2 3.48Å; Y40-T85 VanDerWaalsContact CG-CG2 3.48Å
41V93.3Very high84.1Confident38 Ų3855.3 Ų55.323%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-109.8106.9177.7174.50000109.2I20 R21 I229I20-V41 CarbonylContact O-C 3.54Å; I20-V41 WeakPolarHBondContact O-CA 3.33Å; R21-V41 HydrophobicContact CB-CG2 4.15Å; R21-V41 HydrophobicContact CG-CG2 4.23Å; V41-I229 HydrophobicContact CB-CD1 4.15Å; V41-I229 HydrophobicContact CG1-CD1 3.29Å; V41-I229 HydrophobicContact CG1-CG1 4.21Å; V41-I229 HydrophobicContact CG2-CD1 3.7Å
42F92.6Very high85.5Confident3 Ų356.8 Ų56.81%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-86.5133177-69.4-91.8000111.1S19 I20 V22 Y40 I48 L88 M160 I162S19-F42 CarbonylContact C-O 3.49Å; S19-F42 VanDerWaalsContact CA-O 3.26Å; S19-F42 WeakPolarHBondContact CA-O 3.21Å; I20-F42 PolarHBondContact N-O 3.19Å; I20-F42 PolarHBondContact O-N 2.77Å; V22-F42 HydrophobicContact CB-CD2 4.38Å; V22-F42 HydrophobicContact CB-CE2 4.26Å; V22-F42 HydrophobicContact CG2-CD2 3.96Å; V22-F42 HydrophobicContact CG2-CE2 4.2Å; Y40-F42 HydrophobicContact CD1-CD1 4.18Å; Y40-F42 AromaticContact CD1-CD2 3.81Å; Y40-F42 HydrophobicContact CD1-CD2 3.81Å; Y40-F42 HydrophobicContact CD1-CE1 4.19Å; Y40-F42 AromaticContact CD1-CE2 3.8Å; Y40-F42 HydrophobicContact CD1-CE2 3.8Å; Y40-F42 HydrophobicContact CD1-CG 4Å; Y40-F42 HydrophobicContact CD1-CZ 4Å; Y40-F42 HydrophobicContact CE1-CD1 4.36Å; Y40-F42 HydrophobicContact CE1-CG 4.41Å; Y40-F42 HydrophobicContact CG-CE2 4.45Å; F42-I48 HydrophobicContact CD1-CD1 3.67Å; F42-I48 HydrophobicContact CD1-CG1 4.4Å; F42-I48 HydrophobicContact CE1-CB 4.3Å; F42-I48 HydrophobicContact CE1-CD1 3.26Å; F42-I48 HydrophobicContact CE1-CG1 4.02Å; F42-I48 HydrophobicContact CZ-CD1 3.92Å; F42-L88 HydrophobicContact CE2-CB 4.28Å; F42-L88 HydrophobicContact CZ-CB 4.01Å; F42-M160 HydrophobicContact CB-CE 4.24Å; F42-M160 HydrophobicContact CD1-CE 4.14Å; F42-I162 HydrophobicContact CB-CD1 4.01Å; F42-I162 HydrophobicContact CD1-CG1 4.46Å; F42-I162 HydrophobicContact CD2-CD1 4.09Å; F42-I162 HydrophobicContact CD2-CG1 4.42Å; F42-I162 HydrophobicContact CD2-CG2 3.95Å; F42-I162 HydrophobicContact CE1-CG2 4.35Å; F42-I162 HydrophobicContact CE2-CG2 3.62Å; F42-I162 HydrophobicContact CG-CD1 4.06Å; F42-I162 HydrophobicContact CG-CG1 4.22Å; F42-I162 HydrophobicContact CG-CG2 4.45Å; F42-I162 HydrophobicContact CZ-CG2 3.84Å
43H91Very high86.9Confident79 Ų7949 Ų4937%0.36623%0.225SC..EExtended strand (participates in β ladder)trans-95.6157.7168.7-54.978.4000110.7F18 S19 Q45 E46 M160F18-H43 WeakPolarHBondContact O-CA 3.26Å; S19-H43 PolarHBondContact OG-CD2 3.07Å; S19-H43 PolarHBondContact OG-NE2 3.01Å; H43-Q45 PolarHBondContact O-N 3.39Å; H43-E46 HydrophobicContact CB-CB 4.07Å; H43-E46 IonicContact CE1-OE2 3.98Å; H43-E46 IonicContact CG-OE2 3.61Å; H43-E46 PolarHBondContact N-OE2 3.44Å; H43-E46 IonicContact ND1-OE1 2.79Å; H43-E46 IonicContact ND1-OE2 3.63Å; H43-E46 PolarHBondContact ND1-OE2 3.4Å; H43-E46 WeakPolarHBondContact O-CB 3.27Å; H43-E46 PolarHBondContact O-N 3.37Å; H43-M160 WeakPolarHBondContact O-CE 3.23Å
44W88.9Confident87.8Confident29 Ų2943.8 Ų43.811%0.1120%0.2CC..THydrogen-bonded Turntrans-57.3125.7178.8177.4-111.3000112.6L15 F18 E46 Q158 M160 I191 I193L15-W44 HydrophobicContact CD1-CG 4.39Å; L15-W44 VanDerWaalsContact CD2-CD1 3.48Å; L15-W44 HydrophobicContact CD2-CD2 4.46Å; L15-W44 HydrophobicContact CD2-CG 4.18Å; L15-W44 VanDerWaalsContact CD2-NE1 3.26Å; L15-W44 HydrophobicContact CG-CB 4.47Å; L15-W44 VanDerWaalsContact CG-CD1 3.5Å; L15-W44 HydrophobicContact CG-CD2 4.49Å; L15-W44 HydrophobicContact CG-CG 3.89Å; F18-W44 HydrophobicContact CB-CB 4.27Å; F18-W44 HydrophobicContact CD1-CB 4.29Å; F18-W44 PolarHBondContact O-N 3.49Å; F18-W44 VanDerWaalsContact O-N 3.08Å; W44-E46 PolarHBondContact O-N 2.86Å; W44-Q158 HydrophobicContact CZ2-CB 3.98Å; W44-M160 HydrophobicContact CE3-CB 4.06Å; W44-M160 HydrophobicContact CE3-SD 3.99Å; W44-M160 HydrophobicContact CH2-CB 4Å; W44-M160 HydrophobicContact CZ3-CB 3.44Å; W44-M160 VanDerWaalsContact CZ3-CB 3.44Å; W44-M160 HydrophobicContact CZ3-CG 4.49Å; W44-M160 HydrophobicContact CZ3-SD 4.33Å; W44-I191 HydrophobicContact CE3-CG2 3.98Å; W44-I191 HydrophobicContact CH2-CG2 4.37Å; W44-I191 HydrophobicContact CZ3-CB 3.82Å; W44-I191 HydrophobicContact CZ3-CG2 3.45Å; W44-I191 VanDerWaalsContact CZ3-CG2 3.45Å; W44-I193 HydrophobicContact CD2-CD1 3.86Å; W44-I193 VanDerWaalsContact CE2-CD1 3.4Å; W44-I193 HydrophobicContact CE3-CD1 4.16Å; W44-I193 HydrophobicContact CH2-CD1 3.66Å; W44-I193 HydrophobicContact CH2-CG1 3.86Å; W44-I193 HydrophobicContact CZ2-CB 4.4Å; W44-I193 HydrophobicContact CZ2-CD1 3.31Å; W44-I193 HydrophobicContact CZ2-CG1 3.92Å; W44-I193 HydrophobicContact CZ3-CD1 4.07Å; W44-I193 HydrophobicContact CZ3-CG1 4.36Å
45Q87.4Confident88.4Confident52 Ų5241.5 Ų41.524%0.24319%0.194CC..THydrogen-bonded Turntrans57.421.7-176.1-60.1-73.8-45.900114H43 K47 E159 M160H43-Q45 PolarHBondContact O-N 3.39Å; Q45-K47 PolarHBondContact O-N 2.93Å; Q45-E159 PolarHBondContact NE2-O 3.29Å; Q45-M160 PolarHBondContact N-SD 2.97Å
46E90.6Very high88.5Confident52 Ų5239.6 Ų39.624%0.24319%0.191CC..  trans-70.7125.1167.8-178.4172.3-154.200109.6Y40 H43 W44 I48 S90 M160Y40-E46 PolarHBondContact OH-OE1 3.47Å; Y40-E46 VanDerWaalsContact OH-OE1 3.1Å; H43-E46 HydrophobicContact CB-CB 4.07Å; H43-E46 IonicContact CE1-OE2 3.98Å; H43-E46 IonicContact CG-OE2 3.61Å; H43-E46 PolarHBondContact N-OE2 3.44Å; H43-E46 IonicContact ND1-OE1 2.79Å; H43-E46 IonicContact ND1-OE2 3.63Å; H43-E46 PolarHBondContact ND1-OE2 3.4Å; H43-E46 WeakPolarHBondContact O-CB 3.27Å; H43-E46 PolarHBondContact O-N 3.37Å; W44-E46 PolarHBondContact O-N 2.86Å; E46-I48 HydrophobicContact CG-CG1 4.37Å; E46-S90 PolarHBondContact O-OG 2.67Å; E46-M160 WeakPolarHBondContact O-CE 3.42Å
47K91.5Very high88.6Confident34 Ų3436.7 Ų36.715%0.14817%0.173CC..  trans-91.6124.5177.1-179.259.8177.6-179.80110.1Q45 F49 E53 Y71 S90 V92 D95Q45-K47 PolarHBondContact O-N 2.93Å; K47-F49 HydrophobicContact CD-CE1 4.48Å; K47-F49 HydrophobicContact CG-CD1 4.34Å; K47-F49 HydrophobicContact CG-CE1 3.85Å; K47-F49 HydrophobicContact CG-CZ 4.05Å; K47-E53 WeakPolarHBondContact CE-OE1 3.41Å; K47-E53 WeakPolarHBondContact CE-OE2 3.28Å; K47-E53 IonicContact NZ-OE1 2.84Å; K47-E53 PolarHBondContact NZ-OE1 3.38Å; K47-E53 IonicContact NZ-OE2 2.82Å; K47-E53 PolarHBondContact NZ-OE2 3.44Å; K47-Y71 HydrophobicContact CG-CE1 4.09Å; K47-S90 WeakPolarHBondContact CA-OG 3.31Å; K47-S90 WeakPolarHBondContact CD-O 3.16Å; K47-S90 PolarHBondContact NZ-O 2.9Å; K47-V92 HydrophobicContact CB-CG1 4.04Å; K47-V92 HydrophobicContact CD-CG1 4.27Å; K47-V92 HydrophobicContact CD-CG2 4.3Å; K47-D95 IonicContact NZ-OD2 3.55Å; K47-D95 PolarHBondContact NZ-OD2 2.71Å
48I91.6Very high88.6Confident7 Ų737.8 Ų37.84%0.03618%0.175CC..  trans-124.9127.2169.5-56.6-177.6000107Y40 F42 E46 T85 F89 S90Y40-I48 HydrophobicContact CD1-CD1 3.45Å; Y40-I48 VanDerWaalsContact CD1-CD1 3.45Å; Y40-I48 HydrophobicContact CE1-CD1 3.03Å; Y40-I48 HydrophobicContact CE1-CG1 4.33Å; Y40-I48 HydrophobicContact CE2-CD1 4.42Å; Y40-I48 HydrophobicContact CG-CD1 4.32Å; F42-I48 HydrophobicContact CD1-CD1 3.67Å; F42-I48 HydrophobicContact CD1-CG1 4.4Å; F42-I48 HydrophobicContact CE1-CB 4.3Å; F42-I48 HydrophobicContact CE1-CD1 3.26Å; F42-I48 HydrophobicContact CE1-CG1 4.02Å; F42-I48 HydrophobicContact CZ-CD1 3.92Å; E46-I48 HydrophobicContact CG-CG1 4.37Å; I48-T85 WeakPolarHBondContact CG2-OG1 3.49Å; I48-F89 HydrophobicContact CB-CB 4.47Å; I48-F89 HydrophobicContact CG2-CB 4.21Å; I48-F89 WeakPolarHBondContact O-CB 3.19Å; I48-S90 PolarHBondContact N-OG 2.75Å; I48-S90 PolarHBondContact O-N 3.1Å
49F90.5Very high88.3Confident5 Ų540 Ų402%0.02219%0.187CC..  trans-76.8133.1-173.4-60.7-70.4000112.3K47 E53 K54 Y71 E74 I75K47-F49 HydrophobicContact CD-CE1 4.48Å; K47-F49 HydrophobicContact CG-CD1 4.34Å; K47-F49 HydrophobicContact CG-CE1 3.85Å; K47-F49 HydrophobicContact CG-CZ 4.05Å; F49-E53 WeakPolarHBondContact CA-OE2 3.08Å; F49-E53 HydrophobicContact CB-CB 4.32Å; F49-E53 HydrophobicContact CD1-CB 4.34Å; F49-K54 HydrophobicContact CB-CG 3.79Å; F49-K54 WeakPolarHBondContact O-CE 2.96Å; F49-Y71 AromaticContact CE1-CD1 3.59Å; F49-Y71 HydrophobicContact CE1-CD1 3.59Å; F49-Y71 HydrophobicContact CE1-CD2 4Å; F49-Y71 HydrophobicContact CE1-CE1 4.22Å; F49-Y71 AromaticContact CE1-CG 3.47Å; F49-Y71 HydrophobicContact CE1-CG 3.47Å; F49-Y71 VanDerWaalsContact CE1-CG 3.47Å; F49-Y71 AromaticContact CZ-CD1 3.71Å; F49-Y71 HydrophobicContact CZ-CD1 3.71Å; F49-Y71 HydrophobicContact CZ-CE1 4.44Å; F49-Y71 AromaticContact CZ-CG 3.96Å; F49-Y71 HydrophobicContact CZ-CG 3.96Å; F49-E74 HydrophobicContact CE2-CB 4.02Å; F49-E74 HydrophobicContact CZ-CB 4.15Å; F49-E74 WeakPolarHBondContact CZ-OE2 3.49Å; F49-I75 HydrophobicContact CD1-CD1 4.04Å; F49-I75 HydrophobicContact CD1-CG1 4.35Å; F49-I75 HydrophobicContact CD2-CD1 4.39Å; F49-I75 HydrophobicContact CD2-CG1 3.82Å; F49-I75 HydrophobicContact CE1-CD1 4.29Å; F49-I75 HydrophobicContact CE1-CG1 4.5Å; F49-I75 HydrophobicContact CE2-CG1 3.98Å; F49-I75 HydrophobicContact CG-CD1 4.09Å; F49-I75 HydrophobicContact CG-CG1 4.01Å; F49-I75 HydrophobicContact CZ-CG1 4.32Å
50S89Confident87.9Confident0 Ų044.6 Ų44.60%020%0.201CC..  trans-67.2158.5169.693.90000111.1K52 E53 K54 F89 E185S50-K52 PolarHBondContact O-N 2.92Å; S50-K52 WeakPolarHBondContact OG-CB 3.28Å; S50-K52 PolarHBondContact OG-N 2.87Å; S50-E53 PolarHBondContact N-OE2 3.09Å; S50-E53 PolarHBondContact O-N 2.76Å; S50-E53 VanDerWaalsContact O-N 3.15Å; S50-E53 PolarHBondContact OG-N 2.89Å; S50-K54 VanDerWaalsContact O-CG 3.3Å; S50-K54 WeakPolarHBondContact O-CG 3.27Å; S50-K54 PolarHBondContact O-N 3.08Å; S50-F89 VanDerWaalsContact CB-CE2 3.42Å; S50-F89 VanDerWaalsContact CB-CG 3.48Å; S50-E185 VanDerWaalsContact CB-OE1 3.32Å; S50-E185 WeakPolarHBondContact CB-OE1 3.33Å; S50-E185 PolarHBondContact OG-OE1 2.85Å
51P85.2Confident87.4Confident2 Ų250.8 Ų50.81%0.01323%0.229CC..Hα-helixtrans-53.4-39171.9-26.135.5000112.5K54 A55 D165 I170 L177 Y181P51-K54 PolarHBondContact O-N 2.88Å; P51-A55 PolarHBondContact O-N 3.1Å; P51-A55 VanDerWaalsContact O-N 3.1Å; P51-D165 HydrophobicContact CG-CB 4.18Å; P51-I170 HydrophobicContact CB-CG2 4.49Å; P51-I170 HydrophobicContact CG-CG2 4.18Å; P51-L177 HydrophobicContact CB-CD1 4.2Å; P51-L177 HydrophobicContact CB-CD2 4.33Å; P51-L177 WeakPolarHBondContact O-CD1 3.28Å; P51-Y181 HydrophobicContact CB-CD1 4.5Å; P51-Y181 HydrophobicContact CB-CE1 3.91Å
52K84.8Confident86.9Confident97 Ų9752.5 Ų52.542%0.42224%0.237SC..Hα-helixtrans-65.4-45176.2-175.4-179.2175.9-177.80112.2S50 K54 A55 L56S50-K52 PolarHBondContact O-N 2.92Å; S50-K52 WeakPolarHBondContact OG-CB 3.28Å; S50-K52 PolarHBondContact OG-N 2.87Å; K52-K54 VanDerWaalsContact C-N 3.34Å; K52-K54 PolarHBondContact O-N 3.28Å; K52-A55 PolarHBondContact O-N 3.04Å; K52-L56 WeakPolarHBondContact O-CB 3.48Å; K52-L56 PolarHBondContact O-N 3.48Å
53E86.8Confident86.5Confident7 Ų753 Ų533%0.03324%0.24CC..Hα-helixtrans-63.7-39.2175.6-69.7-176.9126.200112.3K47 F49 S50 A55 L56 Y57 Y91K47-E53 WeakPolarHBondContact CE-OE1 3.41Å; K47-E53 WeakPolarHBondContact CE-OE2 3.28Å; K47-E53 IonicContact NZ-OE1 2.84Å; K47-E53 PolarHBondContact NZ-OE1 3.38Å; K47-E53 IonicContact NZ-OE2 2.82Å; K47-E53 PolarHBondContact NZ-OE2 3.44Å; F49-E53 WeakPolarHBondContact CA-OE2 3.08Å; F49-E53 HydrophobicContact CB-CB 4.32Å; F49-E53 HydrophobicContact CD1-CB 4.34Å; S50-E53 PolarHBondContact N-OE2 3.09Å; S50-E53 PolarHBondContact O-N 2.76Å; S50-E53 VanDerWaalsContact O-N 3.15Å; S50-E53 PolarHBondContact OG-N 2.89Å; E53-A55 VanDerWaalsContact C-N 3.3Å; E53-A55 PolarHBondContact O-N 3.08Å; E53-L56 PolarHBondContact O-N 3.12Å; E53-Y57 HydrophobicContact CB-CD2 3.87Å; E53-Y57 HydrophobicContact CB-CE2 3.94Å; E53-Y57 HydrophobicContact CG-CD2 4.31Å; E53-Y57 HydrophobicContact CG-CE2 3.84Å; E53-Y57 WeakPolarHBondContact O-CB 3.34Å; E53-Y57 WeakPolarHBondContact O-CD2 3.46Å; E53-Y57 PolarHBondContact O-N 3Å; E53-Y91 HydrophobicContact CG-CE1 4.33Å; E53-Y91 VanDerWaalsContact OE1-CE1 3.28Å; E53-Y91 WeakPolarHBondContact OE1-CE1 3.34Å
54K85.3Confident86.2Confident13 Ų1355 Ų556%0.05726%0.259CS..Hα-helixtrans-59.4-40.9174.7-70.8170.6-172.8169.50111.3F49 S50 P51 K52 R58 F83 T85 A174 L177F49-K54 HydrophobicContact CB-CG 3.79Å; F49-K54 WeakPolarHBondContact O-CE 2.96Å; S50-K54 VanDerWaalsContact O-CG 3.3Å; S50-K54 WeakPolarHBondContact O-CG 3.27Å; S50-K54 PolarHBondContact O-N 3.08Å; P51-K54 PolarHBondContact O-N 2.88Å; K52-K54 VanDerWaalsContact C-N 3.34Å; K52-K54 PolarHBondContact O-N 3.28Å; K54-R58 WeakPolarHBondContact O-CB 3.47Å; K54-F83 HydrophobicContact CD-CD1 4.2Å; K54-F83 HydrophobicContact CD-CD2 4.08Å; K54-F83 HydrophobicContact CD-CE1 4.17Å; K54-F83 HydrophobicContact CD-CE2 4.06Å; K54-F83 HydrophobicContact CD-CG 4.15Å; K54-F83 HydrophobicContact CD-CZ 4.11Å; K54-F83 VanDerWaalsContact CE-CD1 3.46Å; K54-F83 VanDerWaalsContact CE-CG 3.49Å; K54-F83 HydrophobicContact CG-CE1 4.15Å; K54-F83 HydrophobicContact CG-CE2 4.5Å; K54-F83 HydrophobicContact CG-CZ 4.1Å; K54-T85 PolarHBondContact NZ-O 2.95Å; K54-T85 VanDerWaalsContact NZ-O 3.09Å; K54-A174 HydrophobicContact CB-CB 4.36Å; K54-L177 HydrophobicContact CB-CD1 4.47Å
55A82.6Confident86Confident22 Ų2255.8 Ų55.818%0.18227%0.267CS..Hα-helixtrans-72.5-44.2176.800000112P51 K52 E53 L177P51-A55 PolarHBondContact O-N 3.1Å; P51-A55 VanDerWaalsContact O-N 3.1Å; K52-A55 PolarHBondContact O-N 3.04Å; E53-A55 VanDerWaalsContact C-N 3.3Å; E53-A55 PolarHBondContact O-N 3.08Å; A55-L177 HydrophobicContact CB-CB 4.23Å
56L84.2Confident85.9Confident76 Ų7661.6 Ų61.640%0.39829%0.294SS..Hα-helixtrans-69.2-55.2-175.3-17669.3000112.4K52 E53 R58 D59 N62K52-L56 WeakPolarHBondContact O-CB 3.48Å; K52-L56 PolarHBondContact O-N 3.48Å; E53-L56 PolarHBondContact O-N 3.12Å; L56-R58 PolarHBondContact O-N 3.2Å; L56-D59 PolarHBondContact O-N 2.93Å; L56-N62 HydrophobicContact CD1-CB 4.05Å; L56-N62 HydrophobicContact CG-CB 4.3Å; L56-N62 WeakPolarHBondContact O-CB 3.39Å; L56-N62 PolarHBondContact O-ND2 3.17Å
57Y84.9Confident85.6Confident30 Ų3061.6 Ų61.612%0.11830%0.297CS..THydrogen-bonded Turntrans-80.9-1.2-175.3-58.8-45.2000113.2E53 D59 Q68 Y71 N72 I75E53-Y57 HydrophobicContact CB-CD2 3.87Å; E53-Y57 HydrophobicContact CB-CE2 3.94Å; E53-Y57 HydrophobicContact CG-CD2 4.31Å; E53-Y57 HydrophobicContact CG-CE2 3.84Å; E53-Y57 WeakPolarHBondContact O-CB 3.34Å; E53-Y57 WeakPolarHBondContact O-CD2 3.46Å; E53-Y57 PolarHBondContact O-N 3Å; Y57-D59 VanDerWaalsContact C-N 3.34Å; Y57-Q68 HydrophobicContact CD1-CB 4.2Å; Y57-Q68 HydrophobicContact CD1-CG 4.22Å; Y57-Q68 HydrophobicContact CE1-CB 4.05Å; Y57-Q68 HydrophobicContact CE1-CG 3.55Å; Y57-Y71 HydrophobicContact CD2-CD2 4.1Å; Y57-Y71 AromaticContact CE2-CD2 3.88Å; Y57-Y71 HydrophobicContact CE2-CD2 3.88Å; Y57-N72 WeakPolarHBondContact O-CA 3.43Å; Y57-N72 WeakPolarHBondContact O-CB 3.31Å; Y57-N72 PolarHBondContact O-ND2 3.3Å; Y57-I75 HydrophobicContact CD2-CD1 4.45Å
58R82.1Confident85.4Confident95 Ų9561.6 Ų61.636%0.35830%0.298SS..THydrogen-bonded Turntrans-66.7-38169173.9177.9179.9148.2-3.4111.8K54 L56 R60 N72 A174K54-R58 WeakPolarHBondContact O-CB 3.47Å; L56-R58 PolarHBondContact O-N 3.2Å; R58-R60 PolarHBondContact O-N 2.89Å; R58-N72 PolarHBondContact O-ND2 3.23Å; R58-A174 PolarHBondContact NH1-O 2.85Å
59D83.2Confident85.3Confident73 Ų7364.1 Ų64.139%0.3931%0.311SS..SBendtrans-83.2116172.1-168.3-10.7000109.4L56 Y57 K61 N62L56-D59 PolarHBondContact O-N 2.93Å; Y57-D59 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 2.98Å; D59-K61 VanDerWaalsContact O-N 3.11Å; D59-K61 WeakPolarHBondContact OD1-CB 3.47Å; D59-K61 WeakPolarHBondContact OD1-CG 3.48Å; D59-K61 PolarHBondContact OD1-N 2.73Å; D59-N62 PolarHBondContact O-N 2.86Å
60R85.1Confident85.2Confident176 Ų17668.2 Ų68.266%0.66433%0.333SS*.G310 helixtrans-58.6-24.2177.2-172.7174.3176.1-171.3-1.4112R58 N62 C63 L69R58-R60 PolarHBondContact O-N 2.89Å; R60-N62 PolarHBondContact O-N 2.84Å; R60-C63 WeakPolarHBondContact O-CB 3.3Å; R60-C63 PolarHBondContact O-N 3.45Å; R60-L69 HydrophobicContact CG-CD2 4.21Å
61K85.1Confident85.2Confident177 Ų17768.9 Ų68.977%0.7734%0.335SS*.G310 helixtrans-63.9-27176.2-65.4177-178.7176.90113.4D59 C63D59-K61 PolarHBondContact O-N 2.98Å; D59-K61 VanDerWaalsContact O-N 3.11Å; D59-K61 WeakPolarHBondContact OD1-CB 3.47Å; D59-K61 WeakPolarHBondContact OD1-CG 3.48Å; D59-K61 PolarHBondContact OD1-N 2.73Å; K61-C63 VanDerWaalsContact C-N 3.29Å
62N82Confident85.3Confident73 Ų7369.6 Ų69.639%0.3934%0.339SS..G310 helixtrans-83.3-6.7178.6-63.9-26.6000112.9L56 D59 R60L56-N62 HydrophobicContact CD1-CB 4.05Å; L56-N62 HydrophobicContact CG-CB 4.3Å; L56-N62 WeakPolarHBondContact O-CB 3.39Å; L56-N62 PolarHBondContact O-ND2 3.17Å; D59-N62 PolarHBondContact O-N 2.86Å; R60-N62 PolarHBondContact O-N 2.84Å
63C84.3Confident85.5Confident13 Ų1372 Ų729%0.08835%0.35CS..  trans-96.1100.1-175.9-56.80000109.9R60 K61 Q68 L69R60-C63 WeakPolarHBondContact O-CB 3.3Å; R60-C63 PolarHBondContact O-N 3.45Å; K61-C63 VanDerWaalsContact C-N 3.29Å; C63-Q68 HydrophobicContact CB-CB 3.9Å; C63-L69 HydrophobicContact CB-CD2 3.72Å; C63-L69 HydrophobicContact CB-CG 4.12Å
64T84.7Confident85.5Confident122 Ų12274.8 Ų74.875%0.74836%0.363SS*.  trans-96.5-29.6-179.656.80000112.6Q68T64-Q68 PolarHBondContact OG1-OE1 2.86Å
65T83.9Confident85.6Confident46 Ų4674.3 Ų74.328%0.28236%0.361SS..SBendtrans-98.8159-179.370.20000112.4T67 Q68 L69T65-T67 VanDerWaalsContact C-N 3.28Å; T65-T67 PolarHBondContact O-N 3.32Å; T65-T67 PolarHBondContact OG1-OG1 3.26Å; T65-Q68 PolarHBondContact O-N 3.07Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.24Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.22Å; T65-Q68 PolarHBondContact OG1-N 2.59Å; T65-L69 WeakPolarHBondContact O-CG 3.41Å; T65-L69 PolarHBondContact O-N 3.49Å
66E86.1Confident85.7Confident174 Ų17476 Ų7681%0.81337%0.372SS*.Hα-helixtrans-60.9-37.1176.7-171.5178.7-174.800112.3L69 L70E66-L69 PolarHBondContact O-N 2.86Å; E66-L70 PolarHBondContact O-N 2.81Å
67T84.8Confident85.7Confident51 Ų5176.5 Ų76.531%0.31338%0.381SS..Hα-helixtrans-63.4-43.9175.448.70000111.8T65 L69 L70 Y71T65-T67 VanDerWaalsContact C-N 3.28Å; T65-T67 PolarHBondContact O-N 3.32Å; T65-T67 PolarHBondContact OG1-OG1 3.26Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 2.83Å; T67-L70 WeakPolarHBondContact O-CB 3.41Å; T67-L70 PolarHBondContact O-N 3.41Å; T67-Y71 WeakPolarHBondContact O-CD1 3.47Å; T67-Y71 VanDerWaalsContact O-CG 3.27Å; T67-Y71 PolarHBondContact O-N 3.14Å
68Q87.5Confident85.4Confident34 Ų3478.1 Ų78.116%0.15939%0.391CS..Hα-helixtrans-65.9-35.9176.8-671670.700112.1Y57 C63 T64 T65 L70 Y71 N72Y57-Q68 HydrophobicContact CD1-CB 4.2Å; Y57-Q68 HydrophobicContact CD1-CG 4.22Å; Y57-Q68 HydrophobicContact CE1-CB 4.05Å; Y57-Q68 HydrophobicContact CE1-CG 3.55Å; C63-Q68 HydrophobicContact CB-CB 3.9Å; T64-Q68 PolarHBondContact OG1-OE1 2.86Å; T65-Q68 PolarHBondContact O-N 3.07Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.24Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.22Å; T65-Q68 PolarHBondContact OG1-N 2.59Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.97Å; Q68-Y71 WeakPolarHBondContact O-CB 3.43Å; Q68-Y71 PolarHBondContact O-N 3.42Å; Q68-N72 PolarHBondContact O-N 3.47Å
69L88.1Confident84.8Confident60 Ų6079.1 Ų79.131%0.31440%0.398SS..Hα-helixtrans-65.5-34.8173.5-71.8172.1000112.4R60 C63 T65 E66 T67 K73R60-L69 HydrophobicContact CG-CD2 4.21Å; C63-L69 HydrophobicContact CB-CD2 3.72Å; C63-L69 HydrophobicContact CB-CG 4.12Å; T65-L69 WeakPolarHBondContact O-CG 3.41Å; T65-L69 PolarHBondContact O-N 3.49Å; E66-L69 PolarHBondContact O-N 2.86Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 2.83Å; L69-K73 WeakPolarHBondContact O-CG 3.27Å; L69-K73 PolarHBondContact O-N 3.31Å
70L88.5Confident84Confident92 Ų9279.5 Ų79.548%0.48242%0.419SS..Hα-helixtrans-65.3-45171.7-175.865.5000110.6E66 T67 Q68 N72 K73 E74E66-L70 PolarHBondContact O-N 2.81Å; T67-L70 WeakPolarHBondContact O-CB 3.41Å; T67-L70 PolarHBondContact O-N 3.41Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.97Å; L70-N72 VanDerWaalsContact C-N 3.33Å; L70-N72 PolarHBondContact O-N 2.85Å; L70-K73 WeakPolarHBondContact O-CB 3.42Å; L70-K73 PolarHBondContact O-N 3.23Å; L70-K73 VanDerWaalsContact O-N 3.09Å; L70-E74 PolarHBondContact O-N 2.94Å
71Y89.1Confident83.3Confident13 Ų1376.4 Ų76.45%0.05142%0.424CS..Hα-helixtrans-59.7-41.2176-62.1-17.5000112.5K47 F49 Y57 T67 Q68 K73 E74 I75 D95K47-Y71 HydrophobicContact CG-CE1 4.09Å; F49-Y71 AromaticContact CE1-CD1 3.59Å; F49-Y71 HydrophobicContact CE1-CD1 3.59Å; F49-Y71 HydrophobicContact CE1-CD2 4Å; F49-Y71 HydrophobicContact CE1-CE1 4.22Å; F49-Y71 AromaticContact CE1-CG 3.47Å; F49-Y71 HydrophobicContact CE1-CG 3.47Å; F49-Y71 VanDerWaalsContact CE1-CG 3.47Å; F49-Y71 AromaticContact CZ-CD1 3.71Å; F49-Y71 HydrophobicContact CZ-CD1 3.71Å; F49-Y71 HydrophobicContact CZ-CE1 4.44Å; F49-Y71 AromaticContact CZ-CG 3.96Å; F49-Y71 HydrophobicContact CZ-CG 3.96Å; Y57-Y71 HydrophobicContact CD2-CD2 4.1Å; Y57-Y71 AromaticContact CE2-CD2 3.88Å; Y57-Y71 HydrophobicContact CE2-CD2 3.88Å; T67-Y71 WeakPolarHBondContact O-CD1 3.47Å; T67-Y71 VanDerWaalsContact O-CG 3.27Å; T67-Y71 PolarHBondContact O-N 3.14Å; Q68-Y71 WeakPolarHBondContact O-CB 3.43Å; Q68-Y71 PolarHBondContact O-N 3.42Å; Y71-K73 VanDerWaalsContact C-N 3.31Å; Y71-K73 PolarHBondContact O-N 3.26Å; Y71-E74 PolarHBondContact O-N 2.98Å; Y71-I75 WeakPolarHBondContact O-CB 3.43Å; Y71-I75 WeakPolarHBondContact O-CD1 3.43Å; Y71-I75 VanDerWaalsContact O-CG1 3.24Å; Y71-I75 WeakPolarHBondContact O-CG1 3.47Å; Y71-I75 PolarHBondContact O-N 3.38Å; Y71-D95 WeakPolarHBondContact CE2-OD1 3.45Å; Y71-D95 PolarHBondContact OH-OD1 2.97Å
72N88.6Confident82.9Confident18 Ų1870 Ų7010%0.09641%0.408CS..Hα-helixtrans-58.7-41.4173.8176.5-96.7000112.5Y57 R58 Q68 L70 S76Y57-N72 WeakPolarHBondContact O-CA 3.43Å; Y57-N72 WeakPolarHBondContact O-CB 3.31Å; Y57-N72 PolarHBondContact O-ND2 3.3Å; R58-N72 PolarHBondContact O-ND2 3.23Å; Q68-N72 PolarHBondContact O-N 3.47Å; L70-N72 VanDerWaalsContact C-N 3.33Å; L70-N72 PolarHBondContact O-N 2.85Å; N72-S76 VanDerWaalsContact O-CB 3.25Å; N72-S76 WeakPolarHBondContact O-CB 3.22Å; N72-S76 PolarHBondContact O-N 2.93Å; N72-S76 PolarHBondContact O-OG 3.16Å
73K88.4Confident82.9Confident147 Ų14768.8 Ų68.864%0.63940%0.4SS*.Hα-helixtrans-67.1-44.8177.4-71174.9-178.2176.10111.8L69 L70 Y71 S76 S77L69-K73 WeakPolarHBondContact O-CG 3.27Å; L69-K73 PolarHBondContact O-N 3.31Å; L70-K73 WeakPolarHBondContact O-CB 3.42Å; L70-K73 PolarHBondContact O-N 3.23Å; L70-K73 VanDerWaalsContact O-N 3.09Å; Y71-K73 VanDerWaalsContact C-N 3.31Å; Y71-K73 PolarHBondContact O-N 3.26Å; K73-S76 PolarHBondContact O-N 3Å; K73-S77 WeakPolarHBondContact O-CB 3.22Å; K73-S77 PolarHBondContact O-N 3.34Å
74E87.4Confident82.8Confident65 Ų6571.5 Ų71.530%0.30442%0.417SS..Hα-helixtrans-62.1-48.3177.3-72.3180-172.900111.4F49 L70 Y71 S76 S77 M78F49-E74 HydrophobicContact CE2-CB 4.02Å; F49-E74 HydrophobicContact CZ-CB 4.15Å; F49-E74 WeakPolarHBondContact CZ-OE2 3.49Å; L70-E74 PolarHBondContact O-N 2.94Å; Y71-E74 PolarHBondContact O-N 2.98Å; E74-S76 VanDerWaalsContact C-N 3.29Å; E74-S76 PolarHBondContact O-N 3.2Å; E74-S77 PolarHBondContact O-N 2.81Å; E74-S77 VanDerWaalsContact O-N 3.11Å; E74-S77 PolarHBondContact O-OG 2.78Å; E74-M78 PolarHBondContact O-N 3.36Å
75I86.2Confident82.8Confident3 Ų366 Ų662%0.01538%0.384CS..Hα-helixtrans-59.9-40.4176.6-70.9164.3000111.1F49 Y57 Y71 M78 K79 F83F49-I75 HydrophobicContact CD1-CD1 4.04Å; F49-I75 HydrophobicContact CD1-CG1 4.35Å; F49-I75 HydrophobicContact CD2-CD1 4.39Å; F49-I75 HydrophobicContact CD2-CG1 3.82Å; F49-I75 HydrophobicContact CE1-CD1 4.29Å; F49-I75 HydrophobicContact CE1-CG1 4.5Å; F49-I75 HydrophobicContact CE2-CG1 3.98Å; F49-I75 HydrophobicContact CG-CD1 4.09Å; F49-I75 HydrophobicContact CG-CG1 4.01Å; F49-I75 HydrophobicContact CZ-CG1 4.32Å; Y57-I75 HydrophobicContact CD2-CD1 4.45Å; Y71-I75 WeakPolarHBondContact O-CB 3.43Å; Y71-I75 WeakPolarHBondContact O-CD1 3.43Å; Y71-I75 VanDerWaalsContact O-CG1 3.24Å; Y71-I75 WeakPolarHBondContact O-CG1 3.47Å; Y71-I75 PolarHBondContact O-N 3.38Å; I75-M78 PolarHBondContact O-N 2.88Å; I75-K79 PolarHBondContact O-N 3.45Å; I75-F83 HydrophobicContact CG2-CZ 4.24Å
76S84.7Confident82.9Confident59 Ų5967.5 Ų67.541%0.41339%0.386SS..Hα-helixtrans-66.9-37.4176.9-64.60000112.3N72 K73 E74N72-S76 VanDerWaalsContact O-CB 3.25Å; N72-S76 WeakPolarHBondContact O-CB 3.22Å; N72-S76 PolarHBondContact O-N 2.93Å; N72-S76 PolarHBondContact O-OG 3.16Å; K73-S76 PolarHBondContact O-N 3Å; E74-S76 VanDerWaalsContact C-N 3.29Å; E74-S76 PolarHBondContact O-N 3.2Å
77S84.3Confident83Confident86 Ų8659.9 Ų59.960%0.60135%0.35SS*.Hα-helixtrans-70.5-33.9176.774.50000113.3K73 E74 K79K73-S77 WeakPolarHBondContact O-CB 3.22Å; K73-S77 PolarHBondContact O-N 3.34Å; E74-S77 PolarHBondContact O-N 2.81Å; E74-S77 VanDerWaalsContact O-N 3.11Å; E74-S77 PolarHBondContact O-OG 2.78Å; S77-K79 VanDerWaalsContact C-N 3.33Å; S77-K79 PolarHBondContact O-N 3Å
78M79.9Confident83.4Confident63 Ų6357.5 Ų57.531%0.3134%0.335SS..Hα-helixtrans-76.3-14.4-179.1-75.1-169.9-178.200114.3E74 I75 G80 S81 G82 F83E74-M78 PolarHBondContact O-N 3.36Å; I75-M78 PolarHBondContact O-N 2.88Å; M78-G80 PolarHBondContact O-N 2.76Å; M78-S81 PolarHBondContact O-N 2.84Å; M78-G82 PolarHBondContact O-N 2.86Å; M78-F83 HydrophobicContact CB-CD1 4.19Å; M78-F83 HydrophobicContact CB-CE1 3.83Å; M78-F83 HydrophobicContact CB-CZ 4.23Å; M78-F83 HydrophobicContact CG-CE1 4.49Å; M78-F83 HydrophobicContact SD-CD1 3.72Å; M78-F83 HydrophobicContact SD-CE1 3.9Å
79K69Low83.7Confident116 Ų11655.9 Ų55.950%0.50433%0.328SS..THydrogen-bonded Turntrans-53.7-29.5-179.4-83.8-175.1178.41750114.3I75 S77I75-K79 PolarHBondContact O-N 3.45Å; S77-K79 VanDerWaalsContact C-N 3.33Å; S77-K79 PolarHBondContact O-N 3Å
80G66.2Low83.9Confident81 Ų8153 Ų5384%0.83531%0.313SS*.THydrogen-bonded Turntrans-87.9-27.3177.600000114.7M78M78-G80 PolarHBondContact O-N 2.76Å
81S70.4Confident84Confident111 Ų11150.1 Ų50.178%0.77630%0.296SS*.THydrogen-bonded Turntrans-95.5-14.8-174.5-169.90000113.5M78M78-S81 PolarHBondContact O-N 2.84Å
82G76.4Confident84Confident43 Ų4349.9 Ų49.944%0.44330%0.296SS..  trans81.9158.4-17000000112.5M78M78-G82 PolarHBondContact O-N 2.86Å
83F82.4Confident83.8Confident47 Ų4753.2 Ų53.221%0.20631%0.311CS..  trans-87.8144.5174.6-67.7-78.5000110.4K54 I75 M78 T85 A174K54-F83 HydrophobicContact CD-CD1 4.2Å; K54-F83 HydrophobicContact CD-CD2 4.08Å; K54-F83 HydrophobicContact CD-CE1 4.17Å; K54-F83 HydrophobicContact CD-CE2 4.06Å; K54-F83 HydrophobicContact CD-CG 4.15Å; K54-F83 HydrophobicContact CD-CZ 4.11Å; K54-F83 VanDerWaalsContact CE-CD1 3.46Å; K54-F83 VanDerWaalsContact CE-CG 3.49Å; K54-F83 HydrophobicContact CG-CE1 4.15Å; K54-F83 HydrophobicContact CG-CE2 4.5Å; K54-F83 HydrophobicContact CG-CZ 4.1Å; I75-F83 HydrophobicContact CG2-CZ 4.24Å; M78-F83 HydrophobicContact CB-CD1 4.19Å; M78-F83 HydrophobicContact CB-CE1 3.83Å; M78-F83 HydrophobicContact CB-CZ 4.23Å; M78-F83 HydrophobicContact CG-CE1 4.49Å; M78-F83 HydrophobicContact SD-CD1 3.72Å; M78-F83 HydrophobicContact SD-CE1 3.9Å; F83-T85 PolarHBondContact O-N 2.8Å; F83-A174 HydrophobicContact CE2-CB 3.84Å
84P82.6Confident83.4Confident71 Ų7153.5 Ų53.546%0.46131%0.312SS..SBendtrans-68.1-26.8-175.227.3-35.2000113Y40Y40-P84 HydrophobicContact CE2-CB 3.79Å
85T85.6Confident83.1Confident7 Ų751.4 Ų51.44%0.04330%0.303CS..  trans-137.3152.2-177.558.70000111.6E38 Y40 I48 K54 F83 L88E38-T85 WeakPolarHBondContact OE1-CA 3.28Å; E38-T85 WeakPolarHBondContact OE1-CB 3.49Å; Y40-T85 HydrophobicContact CD1-CG2 4.26Å; Y40-T85 HydrophobicContact CD2-CG2 3.36Å; Y40-T85 HydrophobicContact CE2-CG2 4.03Å; Y40-T85 HydrophobicContact CG-CG2 3.48Å; Y40-T85 VanDerWaalsContact CG-CG2 3.48Å; I48-T85 WeakPolarHBondContact CG2-OG1 3.49Å; K54-T85 PolarHBondContact NZ-O 2.95Å; K54-T85 VanDerWaalsContact NZ-O 3.09Å; F83-T85 PolarHBondContact O-N 2.8Å; T85-L88 VanDerWaalsContact CB-O 3.23Å; T85-L88 WeakPolarHBondContact CB-O 3.23Å; T85-L88 HydrophobicContact CG2-CB 4.24Å; T85-L88 PolarHBondContact OG1-O 2.93Å
86K84.9Confident82.1Confident77 Ų7760 Ų6034%0.33534%0.343SS..SBendtrans-94.3-52.8175.4-176.3172178.9165.90111.9E38 I170 N172E38-K86 PolarHBondContact OE1-N 2.73Å; K86-I170 WeakPolarHBondContact CE-O 3.42Å; K86-I170 HydrophobicContact CG-CB 4.46Å; K86-I170 HydrophobicContact CG-CG2 3.91Å; K86-I170 PolarHBondContact NZ-O 2.79Å; K86-N172 PolarHBondContact NZ-OD1 2.89Å
87R89.2Confident81Confident13 Ų1359.7 Ų59.75%0.04934%0.336CS..SBendtrans-110.4-36.7-172.9-59.4-179.2169.1-80.3-0.6113.2L24 E37 E38 F89 A164 D165 S167 I170L24-R87 HydrophobicContact CD2-CB 4.29Å; E37-R87 IonicContact OE1-CZ 2.99Å; E37-R87 IonicContact OE1-NE 2.72Å; E37-R87 PolarHBondContact OE1-NE 3.25Å; E37-R87 IonicContact OE1-NH2 2.85Å; E37-R87 PolarHBondContact OE1-NH2 2.82Å; E38-R87 WeakPolarHBondContact OE2-CA 3.44Å; E38-R87 VanDerWaalsContact OE2-CB 3.27Å; E38-R87 WeakPolarHBondContact OE2-CB 3.45Å; E38-R87 PolarHBondContact OE2-N 3.41Å; R87-F89 VanDerWaalsContact O-CD1 3.29Å; R87-F89 WeakPolarHBondContact O-CD1 3.4Å; R87-A164 WeakPolarHBondContact O-CA 3.29Å; R87-D165 PolarHBondContact NH1-O 3.1Å; R87-D165 PolarHBondContact O-N 2.81Å; R87-S167 PolarHBondContact NH1-O 3.28Å; R87-S167 PolarHBondContact NH2-O 2.75Å; R87-I170 HydrophobicContact CB-CD1 4.49Å; R87-I170 HydrophobicContact CG-CD1 3.74Å
88L92.6Very high79.4Confident1 Ų161.6 Ų61.61%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-77.4131.3-179-69.9178.6000110.7V22 L24 E38 F42 T85 A164 L188V22-L88 HydrophobicContact CB-CD1 4.45Å; V22-L88 HydrophobicContact CG1-CD1 4.31Å; V22-L88 HydrophobicContact CG1-CD2 4.05Å; L24-L88 HydrophobicContact CB-CD2 4.23Å; L24-L88 HydrophobicContact CD2-CD2 4.32Å; E38-L88 HydrophobicContact CB-CD1 4.23Å; E38-L88 HydrophobicContact CB-CG 4.42Å; E38-L88 HydrophobicContact CG-CD1 3.97Å; E38-L88 HydrophobicContact CG-CG 4.24Å; E38-L88 PolarHBondContact OE2-N 3.36Å; F42-L88 HydrophobicContact CE2-CB 4.28Å; F42-L88 HydrophobicContact CZ-CB 4.01Å; T85-L88 VanDerWaalsContact CB-O 3.23Å; T85-L88 WeakPolarHBondContact CB-O 3.23Å; T85-L88 HydrophobicContact CG2-CB 4.24Å; T85-L88 PolarHBondContact OG1-O 2.93Å; L88-A164 HydrophobicContact CD2-CB 4.05Å; L88-L188 HydrophobicContact CD2-CD1 3.66Å
89F93Very high78.1Confident1 Ų161.4 Ų61.40%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-151.4175.3178.467.4-91.1000111.3I48 S50 R87 Y91 M163 D165 E185I48-F89 HydrophobicContact CB-CB 4.47Å; I48-F89 HydrophobicContact CG2-CB 4.21Å; I48-F89 WeakPolarHBondContact O-CB 3.19Å; S50-F89 VanDerWaalsContact CB-CE2 3.42Å; S50-F89 VanDerWaalsContact CB-CG 3.48Å; R87-F89 VanDerWaalsContact O-CD1 3.29Å; R87-F89 WeakPolarHBondContact O-CD1 3.4Å; F89-Y91 HydrophobicContact CD2-CE2 4.4Å; F89-Y91 HydrophobicContact CE2-CD2 4.06Å; F89-Y91 AromaticContact CE2-CE2 3.52Å; F89-Y91 HydrophobicContact CE2-CE2 3.52Å; F89-Y91 AromaticContact CE2-CZ 3.84Å; F89-Y91 HydrophobicContact CZ-CE2 4.37Å; F89-M163 HydrophobicContact CD1-CB 4.23Å; F89-M163 HydrophobicContact CD2-CB 3.75Å; F89-M163 HydrophobicContact CD2-CG 4.24Å; F89-M163 HydrophobicContact CE1-CB 3.82Å; F89-M163 HydrophobicContact CE2-CB 3.29Å; F89-M163 HydrophobicContact CE2-CG 3.69Å; F89-M163 HydrophobicContact CG-CB 4.19Å; F89-M163 HydrophobicContact CZ-CB 3.31Å; F89-M163 HydrophobicContact CZ-CG 4.08Å; F89-M163 PolarHBondContact N-O 3.43Å; F89-M163 PolarHBondContact O-N 2.92Å; F89-M163 VanDerWaalsContact O-O 3.11Å; F89-D165 HydrophobicContact CE1-CB 4.04Å; F89-E185 HydrophobicContact CE1-CG 4.13Å; F89-E185 HydrophobicContact CZ-CB 3.9Å; F89-E185 VanDerWaalsContact CZ-CD 3.49Å; F89-E185 HydrophobicContact CZ-CG 3.56Å
90S92.4Very high77Confident0 Ų063.9 Ų63.90%037%0.365CS..EExtended strand (participates in β ladder)trans-134.4147.6-178.557.80000112.4E46 K47 I48 Y161E46-S90 PolarHBondContact O-OG 2.67Å; K47-S90 WeakPolarHBondContact CA-OG 3.31Å; K47-S90 WeakPolarHBondContact CD-O 3.16Å; K47-S90 PolarHBondContact NZ-O 2.9Å; I48-S90 PolarHBondContact N-OG 2.75Å; I48-S90 PolarHBondContact O-N 3.1Å; S90-Y161 CarbonylContact C-O 3.55Å; S90-Y161 VanDerWaalsContact CA-O 3.26Å; S90-Y161 WeakPolarHBondContact CA-O 3.2Å
91Y90.7Very high76Confident31 Ų3171.1 Ų71.112%0.12237%0.367CS..EExtended strand (participates in β ladder)trans-109.2129.7161.2-67.2-68.3000109.7E53 F89 D95 I97 M160 Y161 M163 E185E53-Y91 HydrophobicContact CG-CE1 4.33Å; E53-Y91 VanDerWaalsContact OE1-CE1 3.28Å; E53-Y91 WeakPolarHBondContact OE1-CE1 3.34Å; F89-Y91 HydrophobicContact CD2-CE2 4.4Å; F89-Y91 HydrophobicContact CE2-CD2 4.06Å; F89-Y91 AromaticContact CE2-CE2 3.52Å; F89-Y91 HydrophobicContact CE2-CE2 3.52Å; F89-Y91 AromaticContact CE2-CZ 3.84Å; F89-Y91 HydrophobicContact CZ-CE2 4.37Å; Y91-D95 VanDerWaalsContact CA-OD2 3.3Å; Y91-D95 WeakPolarHBondContact CA-OD2 2.97Å; Y91-D95 HydrophobicContact CD1-CB 4.14Å; Y91-I97 HydrophobicContact CD1-CG1 4.43Å; Y91-I97 HydrophobicContact CD2-CD1 4.31Å; Y91-I97 HydrophobicContact CG-CD1 3.9Å; Y91-I97 HydrophobicContact CG-CG1 4.08Å; Y91-M160 WeakPolarHBondContact O-CA 3.36Å; Y91-Y161 PolarHBondContact N-O 2.89Å; Y91-Y161 PolarHBondContact O-N 3.32Å; Y91-M163 HydrophobicContact CD2-CG 3.69Å; Y91-M163 HydrophobicContact CD2-SD 4.41Å; Y91-M163 HydrophobicContact CE2-CG 4.11Å; Y91-E185 PolarHBondContact OH-OE1 2.96Å; Y91-E185 PolarHBondContact OH-OE2 2.88Å
92V89.7Confident74.7Confident8 Ų872.3 Ų72.35%0.04836%0.364CS..  trans-96.4168-178-63.10000110.3K47 K94 D95K47-V92 HydrophobicContact CB-CG1 4.04Å; K47-V92 HydrophobicContact CD-CG1 4.27Å; K47-V92 HydrophobicContact CD-CG2 4.3Å; V92-K94 HydrophobicContact CG2-CB 4.32Å; V92-K94 PolarHBondContact O-N 3.43Å; V92-K94 VanDerWaalsContact O-N 3.08Å; V92-D95 WeakPolarHBondContact CG2-OD2 3.45Å; V92-D95 PolarHBondContact N-OD2 2.82Å; V92-D95 WeakPolarHBondContact O-CB 3.38Å; V92-D95 PolarHBondContact O-N 3.46Å
93H84.4Confident73.3Confident88 Ų8873.9 Ų73.941%0.40736%0.362SS..THydrogen-bonded Turntrans-60.5-26.8-175.2-177.157.1000113.3D95 T157 E159H93-D95 VanDerWaalsContact C-N 3.25Å; H93-D95 PolarHBondContact O-N 2.92Å; H93-T157 PolarHBondContact CE1-O 3.38Å; H93-E159 VanDerWaalsContact CA-O 3.25Å; H93-E159 WeakPolarHBondContact CA-O 3.29Å; H93-E159 VanDerWaalsContact CB-O 3.29Å; H93-E159 WeakPolarHBondContact CB-O 3.41Å; H93-E159 PolarHBondContact N-O 3.37Å; H93-E159 VanDerWaalsContact N-O 3.11Å; H93-E159 PolarHBondContact ND1-N 2.87Å
94K79.8Confident71.4Confident152 Ų15275.4 Ų75.466%0.66137%0.369SS*.THydrogen-bonded Turntrans-75.4-13177.6-62.7-177.5179.9179.50113.4V92V92-K94 HydrophobicContact CG2-CB 4.32Å; V92-K94 PolarHBondContact O-N 3.43Å; V92-K94 VanDerWaalsContact O-N 3.08Å
95D80.4Confident69.4Low22 Ų2277.7 Ų77.712%0.11838%0.381CS..SBendtrans-80.2128178.2-60.9-25.1000108.9K47 Y71 Y91 V92 H93 I97K47-D95 IonicContact NZ-OD2 3.55Å; K47-D95 PolarHBondContact NZ-OD2 2.71Å; Y71-D95 WeakPolarHBondContact CE2-OD1 3.45Å; Y71-D95 PolarHBondContact OH-OD1 2.97Å; Y91-D95 VanDerWaalsContact CA-OD2 3.3Å; Y91-D95 WeakPolarHBondContact CA-OD2 2.97Å; Y91-D95 HydrophobicContact CD1-CB 4.14Å; V92-D95 WeakPolarHBondContact CG2-OD2 3.45Å; V92-D95 PolarHBondContact N-OD2 2.82Å; V92-D95 WeakPolarHBondContact O-CB 3.38Å; V92-D95 PolarHBondContact O-N 3.46Å; H93-D95 VanDerWaalsContact C-N 3.25Å; H93-D95 PolarHBondContact O-N 2.92Å; D95-I97 VanDerWaalsContact C-N 3.32Å; D95-I97 HydrophobicContact CB-CG1 4.1Å; D95-I97 PolarHBondContact O-N 2.76Å
96E65.3Low67Low184 Ų18485.3 Ų85.386%0.8642%0.422SS*.  trans-74.486.7174.1-71.3-179.6-17900109.3
97I62.3Low64.6Low52 Ų5284.4 Ų84.427%0.26743%0.434SS..  trans-90.7115.4-179.5-56.1167.9000109.7Y91 D95 V99 Y161Y91-I97 HydrophobicContact CD1-CG1 4.43Å; Y91-I97 HydrophobicContact CD2-CD1 4.31Å; Y91-I97 HydrophobicContact CG-CD1 3.9Å; Y91-I97 HydrophobicContact CG-CG1 4.08Å; D95-I97 VanDerWaalsContact C-N 3.32Å; D95-I97 HydrophobicContact CB-CG1 4.1Å; D95-I97 PolarHBondContact O-N 2.76Å; I97-V99 HydrophobicContact CG2-CB 3.51Å; I97-V99 HydrophobicContact CG2-CG2 3.23Å; I97-V99 PolarHBondContact O-N 3.43Å; I97-Y161 HydrophobicContact CD1-CD2 3.42Å; I97-Y161 VanDerWaalsContact CD1-CD2 3.42Å; I97-Y161 HydrophobicContact CD1-CE2 3.84Å; I97-Y161 HydrophobicContact CD1-CG 4.23Å
98S51.2Low62Low125 Ų12592.3 Ų92.387%0.87448%0.475SS*.  trans-86.423173-51.70000113.7E100S98-E100 PolarHBondContact O-N 2.77Å
99V51.9Low59.3Low60 Ų6095.6 Ų95.636%0.36451%0.509SS..  trans-77116.5-174.51790000108.7I97 R101 I103 I187I97-V99 HydrophobicContact CG2-CB 3.51Å; I97-V99 HydrophobicContact CG2-CG2 3.23Å; I97-V99 PolarHBondContact O-N 3.43Å; V99-R101 PolarHBondContact O-N 2.92Å; V99-I103 HydrophobicContact CG1-CD1 3.25Å; V99-I187 HydrophobicContact CG1-CD1 3.93Å
100E45.2Very low56.3Low167 Ų16799 Ų9978%0.7853%0.534SS*.  trans-48.5132.7179.1-80.5-179.9147.200111.2S98 D102 I103S98-E100 PolarHBondContact O-N 2.77Å; E100-D102 PolarHBondContact O-N 3.49Å; E100-I103 VanDerWaalsContact O-CD1 3.28Å; E100-I103 WeakPolarHBondContact O-CD1 3.32Å; E100-I103 WeakPolarHBondContact O-CG1 3.31Å
101R46Very low53.7Low234 Ų234105.1 Ų105.188%0.88357%0.565SS**SBendtrans-73.73.4-163.6-63.3-175.9-166.8-168.14.6115.3V99V99-R101 PolarHBondContact O-N 2.92Å
102D42.1Very low51.3Low135 Ų135104.2 Ų104.272%0.72256%0.563SS**  trans-11227.3-162.1-66.2-27.7000115.5E100 F104E100-D102 PolarHBondContact O-N 3.49Å; D102-F104 PolarHBondContact O-N 2.92Å
103I47.3Very low48.9Very low77 Ų77112.2 Ų112.240%0.39559%0.594SS.*  trans-77.7-16.8-161-67.2164000115.7V99 E100 V105 I187V99-I103 HydrophobicContact CG1-CD1 3.25Å; E100-I103 VanDerWaalsContact O-CD1 3.28Å; E100-I103 WeakPolarHBondContact O-CD1 3.32Å; E100-I103 WeakPolarHBondContact O-CG1 3.31Å; I103-V105 PolarHBondContact O-N 2.95Å; I103-I187 HydrophobicContact CB-CD1 4.49Å; I103-I187 HydrophobicContact CD1-CD1 3.34Å; I103-I187 HydrophobicContact CD1-CG1 4.27Å; I103-I187 HydrophobicContact CG1-CD1 4.49Å; I103-I187 HydrophobicContact CG2-CD1 4.45Å
104F44.1Very low46.8Very low79 Ų79110.1 Ų110.135%0.34659%0.588SS.*  trans-100.960.1-177.8-59-79.7000112.4D102 I187 K202D102-F104 PolarHBondContact O-N 2.92Å; F104-I187 HydrophobicContact CZ-CG2 4.45Å; F104-K202 HydrophobicContact CD2-CD 3.7Å; F104-K202 HydrophobicContact CD2-CG 4.08Å; F104-K202 HydrophobicContact CE2-CD 3.99Å; F104-K202 HydrophobicContact CE2-CG 4Å; F104-K202 HydrophobicContact CG-CD 4.23Å; F104-K202 HydrophobicContact CG-CG 4.44Å; F104-K202 HydrophobicContact CZ-CG 4.31Å
105V38.7Very low45.2Very low119 Ų119107.4 Ų107.472%0.72158%0.578SS**SBendtrans-98.8-28.1172.5-179.90000112.3I103I103-V105 PolarHBondContact O-N 2.95Å
106D35.7Very low43.3Very low167 Ų167113.1 Ų113.189%0.89360%0.601SS**SBendtrans-10219.2-164.1-91.17.1000117.2
107G34.5Very low42.2Very low58 Ų58109.2 Ų109.260%0.59858%0.583SS**SBendtrans-147.170.6-172.400000116.5G109G107-G109 PolarHBondContact O-N 3.22Å
108I34.1Very low41.2Very low178 Ų178112.7 Ų112.791%0.91359%0.593SS**SBendtrans54.5-4.1155.7-57172.9000117.1S110I108-S110 PolarHBondContact O-N 3.28Å
109G36.2Very low40.7Very low70 Ų70109.8 Ų109.872%0.72257%0.573SS**  trans-77.775.417400000109.4G107 I111G107-G109 PolarHBondContact O-N 3.22Å; G109-I111 PolarHBondContact O-N 3.49Å; G109-I111 VanDerWaalsContact O-N 3.14Å
110S30.8Very low40Very low74 Ų74113.4 Ų113.452%0.51759%0.59SS.*  trans-47.7122165.749.30000108.7I108 S112I108-S110 PolarHBondContact O-N 3.28Å; S110-S112 PolarHBondContact O-N 3.45Å; S110-S112 VanDerWaalsContact O-N 3.11Å
111I37.1Very low39.6Very low127 Ų127110.2 Ų110.265%0.65158%0.577SS**  trans-45.4122.8164.1-90.4166.9000107.3G109 E115 K116G109-I111 PolarHBondContact O-N 3.49Å; G109-I111 VanDerWaalsContact O-N 3.14Å; I111-E115 HydrophobicContact CG2-CB 4.08Å; I111-K116 HydrophobicContact CG2-CG 4.38Å
112S39.8Very low39.2Very low12 Ų12104.6 Ų104.68%0.08456%0.561CS.*  trans-63.8143.1-174.884.80000109.3S110 P114 E115 K116S110-S112 PolarHBondContact O-N 3.45Å; S110-S112 VanDerWaalsContact O-N 3.11Å; S112-P114 VanDerWaalsContact C-CD 3.42Å; S112-P114 VanDerWaalsContact C-N 3.25Å; S112-P114 WeakPolarHBondContact OG-CD 3.28Å; S112-E115 WeakPolarHBondContact CB-OE2 3.48Å; S112-E115 VanDerWaalsContact O-CB 3.27Å; S112-E115 WeakPolarHBondContact O-CB 3.28Å; S112-E115 PolarHBondContact O-N 3.27Å; S112-E115 PolarHBondContact OG-N 2.74Å; S112-E115 VanDerWaalsContact OG-N 3.12Å; S112-E115 PolarHBondContact OG-OE2 3.47Å; S112-K116 PolarHBondContact O-N 2.92Å
113Y40.9Very low38.8Very low176 Ų176105 Ų10569%0.6956%0.563SS**Hα-helixtrans-54.8-38173.8-167.8-89.5000112.4E115 K116 Q117Y113-E115 VanDerWaalsContact C-N 3.34Å; Y113-E115 PolarHBondContact O-N 2.93Å; Y113-K116 WeakPolarHBondContact O-CB 3.4Å; Y113-K116 PolarHBondContact O-N 3.14Å; Y113-Q117 PolarHBondContact O-N 2.67Å; Y113-Q117 VanDerWaalsContact O-N 3.14Å
114P40.2Very low38.1Very low45 Ų45111 Ų11129%0.29259%0.586SS.*Hα-helixtrans-58.5-35.8169.2-25.333.7000114.8S112 Q117 R118S112-P114 VanDerWaalsContact C-CD 3.42Å; S112-P114 VanDerWaalsContact C-N 3.25Å; S112-P114 WeakPolarHBondContact OG-CD 3.28Å; P114-Q117 PolarHBondContact O-N 2.99Å; P114-R118 WeakPolarHBondContact O-CB 3.4Å; P114-R118 WeakPolarHBondContact O-CG 3.46Å; P114-R118 PolarHBondContact O-N 3.06Å
115E45.1Very low37.6Very low94 Ų94113.3 Ų113.344%0.43961%0.606SS.*Hα-helixtrans-59.8-47.3174.9-120.794.6-160.200111I111 S112 Y113 Q117 R118 S119I111-E115 HydrophobicContact CG2-CB 4.08Å; S112-E115 WeakPolarHBondContact CB-OE2 3.48Å; S112-E115 VanDerWaalsContact O-CB 3.27Å; S112-E115 WeakPolarHBondContact O-CB 3.28Å; S112-E115 PolarHBondContact O-N 3.27Å; S112-E115 PolarHBondContact OG-N 2.74Å; S112-E115 VanDerWaalsContact OG-N 3.12Å; S112-E115 PolarHBondContact OG-OE2 3.47Å; Y113-E115 VanDerWaalsContact C-N 3.34Å; Y113-E115 PolarHBondContact O-N 2.93Å; E115-Q117 PolarHBondContact O-N 2.96Å; E115-R118 PolarHBondContact O-N 3.02Å; E115-S119 PolarHBondContact O-N 2.99Å
116K41.1Very low37.4Very low142 Ų142115.1 Ų115.162%0.61761%0.612SS**Hα-helixtrans-59.6-32.6175.5-99.4-176176.4179.60112.4I111 S112 Y113 S119I111-K116 HydrophobicContact CG2-CG 4.38Å; S112-K116 PolarHBondContact O-N 2.92Å; Y113-K116 WeakPolarHBondContact O-CB 3.4Å; Y113-K116 PolarHBondContact O-N 3.14Å; K116-S119 PolarHBondContact O-OG 2.8Å
117Q41.2Very low37.2Very low103 Ų103113.7 Ų113.748%0.48160%0.604SS.*Hα-helixtrans-82.1-36.1179.7-139.3157.91700111.5Y113 P114 E115 N120 I121Y113-Q117 PolarHBondContact O-N 2.67Å; Y113-Q117 VanDerWaalsContact O-N 3.14Å; P114-Q117 PolarHBondContact O-N 2.99Å; E115-Q117 PolarHBondContact O-N 2.96Å; Q117-N120 PolarHBondContact O-N 3.31Å; Q117-I121 HydrophobicContact CG-CD1 4.17Å; Q117-I121 VanDerWaalsContact O-CD1 3.31Å; Q117-I121 WeakPolarHBondContact O-CD1 3.35Å; Q117-I121 WeakPolarHBondContact O-CG1 3.48Å; Q117-I121 PolarHBondContact O-N 2.77Å
118R42.3Very low37.1Very low124 Ų124118.5 Ų118.547%0.46862%0.615SS.*Hα-helixtrans-71.8-31.8177.4-79.8-178.1172.2172.7-0.5113.4P114 E115 N120 I121 Q122P114-R118 WeakPolarHBondContact O-CB 3.4Å; P114-R118 WeakPolarHBondContact O-CG 3.46Å; P114-R118 PolarHBondContact O-N 3.06Å; E115-R118 PolarHBondContact O-N 3.02Å; R118-N120 PolarHBondContact O-N 2.87Å; R118-I121 PolarHBondContact O-N 3.24Å; R118-I121 VanDerWaalsContact O-N 3.13Å; R118-Q122 PolarHBondContact O-N 3.42Å
119S41.6Very low36.8Very low64 Ų64115.6 Ų115.645%0.44861%0.611SS.*THydrogen-bonded Turntrans-58.7-30.517061.50000111.4E115 K116E115-S119 PolarHBondContact O-N 2.99Å; K116-S119 PolarHBondContact O-OG 2.8Å
120N36.5Very low36.4Very low137 Ų137118.9 Ų118.973%0.73361%0.612SS**THydrogen-bonded Turntrans-89.1-9.8179.8-62.5-7.2000113.6Q117 R118Q117-N120 PolarHBondContact O-N 3.31Å; R118-N120 PolarHBondContact O-N 2.87Å
121I37.4Very low36.5Very low99 Ų99123.5 Ų123.551%0.50863%0.625SS.*  trans-110.514.6-175.5-60.2162.1000111.6Q117 R118 L123Q117-I121 HydrophobicContact CG-CD1 4.17Å; Q117-I121 VanDerWaalsContact O-CD1 3.31Å; Q117-I121 WeakPolarHBondContact O-CD1 3.35Å; Q117-I121 WeakPolarHBondContact O-CG1 3.48Å; Q117-I121 PolarHBondContact O-N 2.77Å; R118-I121 PolarHBondContact O-N 3.24Å; R118-I121 VanDerWaalsContact O-N 3.13Å; I121-L123 HydrophobicContact CG2-CD1 4.06Å; I121-L123 HydrophobicContact CG2-CG 4.48Å; I121-L123 PolarHBondContact O-N 3.29Å
122Q35.6Very low36.2Very low116 Ų116123.3 Ų123.354%0.54262%0.624SS.*  trans-70.286174.2-116.4115.663.600110.4R118 R155R118-Q122 PolarHBondContact O-N 3.42Å; Q122-R155 VanDerWaalsContact CD-NH2 3.3Å; Q122-R155 VanDerWaalsContact NE2-NH1 3.13Å
123L35.2Very low35.8Very low145 Ų145128.2 Ų128.276%0.75966%0.656SS**  trans-90.6136.1-177.2-74.3165.6000111.3I121I121-L123 HydrophobicContact CG2-CD1 4.06Å; I121-L123 HydrophobicContact CG2-CG 4.48Å; I121-L123 PolarHBondContact O-N 3.29Å
124K32.9Very low35.7Very low202 Ų202129.6 Ų129.688%0.87867%0.665SS**  trans49.3120.6142.9-121.2175.6-178.6-178.20120.4
125V32.9Very low35.4Very low127 Ų127135 Ų13577%0.7769%0.691SS**  trans-45.4137.5161.6179.80000112.7
126D34.8Very low35.4Very low157 Ų157139.4 Ų139.484%0.8471%0.712SS**  trans-150.2117141-91.6-25.3000108.4
127D30.9Very low35.4Very low137 Ų137140.7 Ų140.773%0.73372%0.722SS**  trans40.2128.8149.7-81.1-17.2000123.4
128L31.4Very low35.7Very low159 Ų159144 Ų14483%0.83274%0.742SS**  trans7583.9145.1-60.3160.9000118.4
129S29.8Very low36.3Very low117 Ų117142.9 Ų142.982%0.81875%0.745SS**  trans-151.5116.4133.165.90000110.7
130N27.9Very low37.1Very low139 Ų139149.1 Ų149.174%0.74377%0.767SS**  trans-49.4159172.1-70.8-40.2000113
131H31.5Very low38.3Very low171 Ų171149.4 Ų149.479%0.79277%0.767SS**  trans91.784.9173.4-50-69.8000115.3
132I31.8Very low39Very low124 Ų124146.6 Ų146.664%0.63676%0.755SS**  -170.4125.2118.6-83.6142.6000107.6K134 I156I132-K134 PolarHBondContact O-N 3.4Å; I132-I156 HydrophobicContact CD1-CD1 3.46Å; I132-I156 VanDerWaalsContact CD1-CD1 3.46Å; I132-I156 HydrophobicContact CD1-CG1 4.01Å
133P31.3Very low40Very low115 Ų115144.2 Ų144.275%0.74775%0.75SS**  trans-66.6122.5175.6-13.227.2000110.5N135P133-N135 PolarHBondContact O-N 3.39Å
134K38.8Very low41.3Very low205 Ų205141.8 Ų141.889%0.89174%0.738SS**  trans-71.771.1165.7-70.8-178.2177.61790109.8I132I132-K134 PolarHBondContact O-N 3.4Å
135N34.2Very low42.4Very low157 Ų157138.8 Ų138.884%0.8472%0.722SS**  trans-114.864.7163.3-101.47.4000107.9P133P133-N135 PolarHBondContact O-N 3.39Å
136E43.8Very low43.3Very low187 Ų187135.9 Ų135.987%0.87470%0.7SS**  trans-108127.5162.4-80.4-172.5161.400108.3L138E136-L138 PolarHBondContact O-N 2.76Å
137M42.7Very low44.3Very low170 Ų170134.6 Ų134.684%0.83768%0.683SS**  trans-44.5127.4175.7-89.5168.550.300111.2L139M137-L139 PolarHBondContact O-N 2.9Å; M137-L139 VanDerWaalsContact O-N 3.1Å
138L47.4Very low45.4Very low172 Ų172136.5 Ų136.590%0.90168%0.681SS**  trans-62.7111.1161.4-79161.6000108.3E136 E140E136-L138 PolarHBondContact O-N 2.76Å; L138-E140 PolarHBondContact O-N 3.11Å
139L53.7Low46.2Very low100 Ų100132 Ų13252%0.52466%0.661SS.*  trans-74.1115165.9-80.3155.5000108M137 I141M137-L139 PolarHBondContact O-N 2.9Å; M137-L139 VanDerWaalsContact O-N 3.1Å; L139-I141 PolarHBondContact O-N 2.97Å
140E57.9Low47.4Very low195 Ų195130.3 Ų130.391%0.91165%0.648SS**SBendtrans-57.8-30.5173.8-82.9-172.9151.600112.1L138L138-E140 PolarHBondContact O-N 3.11Å
141I62.6Low48.6Very low144 Ų144131 Ų13174%0.73865%0.647SS**SBendtrans-130.186.4-179.4-50.3171000108.9L139L139-I141 PolarHBondContact O-N 2.97Å
142P51.8Low49.3Very low40 Ų40127.2 Ų127.226%0.2663%0.632SS.*  trans-74.5135.3177.127.7-31.3000110.6H146 R147P142-H146 HydrophobicContact CB-CB 4.18Å; P142-R147 HydrophobicContact CG-CG 4.04Å; P142-R147 PolarHBondContact O-NH2 2.89Å
143P56Low50.1Low66 Ų66126.3 Ų126.343%0.42964%0.637SS.*  trans-58.2149.3171.222.9-31.9000110.7Y145 H146P143-Y145 HydrophobicContact CB-CD1 4.16Å; P143-Y145 HydrophobicContact CG-CD1 3.98Å; P143-Y145 HydrophobicContact CG-CE1 3.91Å; P143-Y145 PolarHBondContact O-N 2.96Å; P143-H146 WeakPolarHBondContact O-CB 3.4Å; P143-H146 PolarHBondContact O-N 3.19Å
144D62.8Low51Low94 Ų94127.2 Ų127.250%0.50364%0.64SS.*Hα-helixtrans-53.4-37.3-169.4-72.4-25.5000113H146 R147 Y148D144-H146 VanDerWaalsContact C-N 3.32Å; D144-H146 PolarHBondContact O-N 2.8Å; D144-R147 WeakPolarHBondContact O-CB 3.28Å; D144-R147 PolarHBondContact O-N 2.84Å; D144-R147 VanDerWaalsContact O-N 3.12Å; D144-R147 IonicContact OD1-CZ 2.67Å; D144-R147 VanDerWaalsContact OD1-CZ 3.3Å; D144-R147 IonicContact OD1-NH1 3.8Å; D144-R147 IonicContact OD1-NH2 3.59Å; D144-R147 PolarHBondContact OD1-NH2 2.96Å; D144-Y148 HydrophobicContact CB-CE2 4.14Å; D144-Y148 WeakPolarHBondContact O-CD2 3.36Å; D144-Y148 VanDerWaalsContact O-CE2 3.29Å; D144-Y148 WeakPolarHBondContact O-CE2 3.37Å; D144-Y148 PolarHBondContact O-N 3.26Å
145Y56.2Low52Low139 Ų139121.5 Ų121.555%0.54561%0.613SS.*Hα-helixtrans-57.3-43177.1100.7-90000112.2P143 R147 Y148 V149P143-Y145 HydrophobicContact CB-CD1 4.16Å; P143-Y145 HydrophobicContact CG-CD1 3.98Å; P143-Y145 HydrophobicContact CG-CE1 3.91Å; P143-Y145 PolarHBondContact O-N 2.96Å; Y145-R147 VanDerWaalsContact C-N 3.29Å; Y145-R147 PolarHBondContact O-N 2.74Å; Y145-Y148 PolarHBondContact O-N 3.43Å; Y145-V149 HydrophobicContact CD2-CG2 3.75Å; Y145-V149 HydrophobicContact CE2-CG2 4.27Å; Y145-V149 WeakPolarHBondContact O-CG2 3.23Å; Y145-V149 PolarHBondContact O-N 2.92Å; Y145-V149 VanDerWaalsContact O-N 3.15Å
146H52.7Low53.6Low65 Ų65119.1 Ų119.130%0.30160%0.599SS.*Hα-helixtrans-65.2-31.5179.4-87.1-45.6000112.8P142 P143 D144 Y148 V149 S150P142-H146 HydrophobicContact CB-CB 4.18Å; P143-H146 WeakPolarHBondContact O-CB 3.4Å; P143-H146 PolarHBondContact O-N 3.19Å; D144-H146 VanDerWaalsContact C-N 3.32Å; D144-H146 PolarHBondContact O-N 2.8Å; H146-Y148 PolarHBondContact O-N 3.41Å; H146-V149 PolarHBondContact O-N 2.85Å; H146-S150 WeakPolarHBondContact O-CB 3.35Å; H146-S150 PolarHBondContact O-N 3.25Å; H146-S150 PolarHBondContact O-OG 2.86Å
147R56.3Low55.1Low130 Ų130112.2 Ų112.249%0.49157%0.57SS.*Hα-helixtrans-64.9-27171.9-82.7-175.6-100.7153.25.3112P142 D144 Y145 H151P142-R147 HydrophobicContact CG-CG 4.04Å; P142-R147 PolarHBondContact O-NH2 2.89Å; D144-R147 WeakPolarHBondContact O-CB 3.28Å; D144-R147 PolarHBondContact O-N 2.84Å; D144-R147 VanDerWaalsContact O-N 3.12Å; D144-R147 IonicContact OD1-CZ 2.67Å; D144-R147 VanDerWaalsContact OD1-CZ 3.3Å; D144-R147 IonicContact OD1-NH1 3.8Å; D144-R147 IonicContact OD1-NH2 3.59Å; D144-R147 PolarHBondContact OD1-NH2 2.96Å; Y145-R147 VanDerWaalsContact C-N 3.29Å; Y145-R147 PolarHBondContact O-N 2.74Å; R147-H151 PolarHBondContact O-CE1 3.24Å; R147-H151 PolarHBondContact O-NE2 2.69Å
148Y53.3Low57.1Low177 Ų177108.5 Ų108.569%0.69455%0.55SS**Hα-helixtrans-85.6-28.7176.9-59.7-66.8000114D144 Y145 H146D144-Y148 HydrophobicContact CB-CE2 4.14Å; D144-Y148 WeakPolarHBondContact O-CD2 3.36Å; D144-Y148 VanDerWaalsContact O-CE2 3.29Å; D144-Y148 WeakPolarHBondContact O-CE2 3.37Å; D144-Y148 PolarHBondContact O-N 3.26Å; Y145-Y148 PolarHBondContact O-N 3.43Å; H146-Y148 PolarHBondContact O-N 3.41Å
149V48.7Very low58.9Low66 Ų66102.4 Ų102.440%0.452%0.517SS..Hα-helixtrans-107.2-22.4-173.8-122.50000114.9Y145 H146 H151 L152Y145-V149 HydrophobicContact CD2-CG2 3.75Å; Y145-V149 HydrophobicContact CE2-CG2 4.27Å; Y145-V149 WeakPolarHBondContact O-CG2 3.23Å; Y145-V149 PolarHBondContact O-N 2.92Å; Y145-V149 VanDerWaalsContact O-N 3.15Å; H146-V149 PolarHBondContact O-N 2.85Å; V149-H151 VanDerWaalsContact C-N 3.29Å; V149-H151 PolarHBondContact O-N 3.36Å; V149-L152 HydrophobicContact CG1-CD1 3.75Å; V149-L152 WeakPolarHBondContact O-CA 3.34Å; V149-L152 WeakPolarHBondContact O-CB 3.49Å; V149-L152 PolarHBondContact O-N 2.79Å
150S54.2Low60.7Low80 Ų8097.7 Ų97.756%0.55949%0.492SS*.THydrogen-bonded Turntrans-63.7-30.8-171.756.50000114.3H146 L152H146-S150 WeakPolarHBondContact O-CB 3.35Å; H146-S150 PolarHBondContact O-N 3.25Å; H146-S150 PolarHBondContact O-OG 2.86Å; S150-L152 PolarHBondContact O-N 2.87Å
151H52.5Low62.3Low153 Ų15389.7 Ų89.771%0.70845%0.454SS*.THydrogen-bonded Turntrans-74.9-17.9175.1-16.8-51000112R147 V149 S153R147-H151 PolarHBondContact O-CE1 3.24Å; R147-H151 PolarHBondContact O-NE2 2.69Å; V149-H151 VanDerWaalsContact C-N 3.29Å; V149-H151 PolarHBondContact O-N 3.36Å; H151-S153 PolarHBondContact O-N 2.95Å
152L48Very low63.7Low92 Ų9282.9 Ų82.948%0.48242%0.419SS..SBendtrans-78115.7175.6-54.7177.4000107.1V149 S150 T154V149-L152 HydrophobicContact CG1-CD1 3.75Å; V149-L152 WeakPolarHBondContact O-CA 3.34Å; V149-L152 WeakPolarHBondContact O-CB 3.49Å; V149-L152 PolarHBondContact O-N 2.79Å; S150-L152 PolarHBondContact O-N 2.87Å; L152-T154 PolarHBondContact O-N 3.35Å
153S47.3Very low65.6Low105 Ų10581.2 Ų81.273%0.73441%0.408SS*.  trans-50.8113.5175.3178.10000109.7H151 R155H151-S153 PolarHBondContact O-N 2.95Å; S153-R155 PolarHBondContact O-N 2.96Å
154T51Low67.3Low134 Ų13478.1 Ų78.182%0.82239%0.388SS*.  trans-68.2102.4171.244.20000107.3L152L152-T154 PolarHBondContact O-N 3.35Å
155R58.7Low68.5Low86 Ų8673.6 Ų73.633%0.32536%0.364SS..  trans-70.4132.1171.9-76.3176.8-80.8-131-10.3107.9Q122 S153 T157 D194Q122-R155 VanDerWaalsContact CD-NH2 3.3Å; Q122-R155 VanDerWaalsContact NE2-NH1 3.13Å; S153-R155 PolarHBondContact O-N 2.96Å; R155-T157 HydrophobicContact CB-CG2 4.47Å; R155-T157 PolarHBondContact O-N 3.38Å; R155-D194 HydrophobicContact CB-CB 4.22Å
156I68.9Low69.9Low107 Ų10767 Ų6755%0.54934%0.338SS..  trans-62120.3167.9-56.5170.6000106.3I132 S195I132-I156 HydrophobicContact CD1-CD1 3.46Å; I132-I156 VanDerWaalsContact CD1-CD1 3.46Å; I132-I156 HydrophobicContact CD1-CG1 4.01Å; I156-S195 PolarHBondContact O-N 2.91Å; I156-S195 VanDerWaalsContact O-N 3.07Å
157T75.2Confident71.4Confident41 Ų4164 Ų6425%0.25232%0.324SS..EExtended strand (participates in β ladder)trans-122136.2-179.252.50000111H93 R155 I193 D194H93-T157 PolarHBondContact CE1-O 3.38Å; R155-T157 HydrophobicContact CB-CG2 4.47Å; R155-T157 PolarHBondContact O-N 3.38Å; T157-I193 CarbonylContact C-O 3.55Å; T157-I193 WeakPolarHBondContact CA-O 3.34Å; T157-D194 HydrophobicContact CG2-CB 4.14Å
158Q84Confident72.2Confident92 Ų9260.6 Ų60.643%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-95.2132.3164.1-64.4-174.6-53.500108.6W44 T192 I193W44-Q158 HydrophobicContact CZ2-CB 3.98Å; Q158-T192 WeakPolarHBondContact O-CA 3.49Å; Q158-I193 PolarHBondContact N-O 3.38Å; Q158-I193 PolarHBondContact O-N 2.88Å
159E86.3Confident73.1Confident44 Ų4458.8 Ų58.821%0.20632%0.323CS..EExtended strand (participates in β ladder)trans-121.2148.1-176.1-52.9-164145.600110.7Q45 H93 Y161 K190 I191 T192Q45-E159 PolarHBondContact NE2-O 3.29Å; H93-E159 VanDerWaalsContact CA-O 3.25Å; H93-E159 WeakPolarHBondContact CA-O 3.29Å; H93-E159 VanDerWaalsContact CB-O 3.29Å; H93-E159 WeakPolarHBondContact CB-O 3.41Å; H93-E159 PolarHBondContact N-O 3.37Å; H93-E159 VanDerWaalsContact N-O 3.11Å; H93-E159 PolarHBondContact ND1-N 2.87Å; E159-Y161 HydrophobicContact CB-CE2 3.98Å; E159-Y161 PolarHBondContact OE2-OH 3.03Å; E159-K190 VanDerWaalsContact CD-CE 3.43Å; E159-K190 WeakPolarHBondContact OE1-CE 3.25Å; E159-K190 IonicContact OE1-NZ 3.89Å; E159-K190 PolarHBondContact OE1-NZ 2.84Å; E159-K190 WeakPolarHBondContact OE2-CE 3.38Å; E159-K190 IonicContact OE2-NZ 2.69Å; E159-K190 PolarHBondContact OE2-NZ 2.99Å; E159-I191 CarbonylContact C-O 3.59Å; E159-I191 WeakPolarHBondContact CA-O 3.41Å; E159-T192 HydrophobicContact CG-CG2 3.95Å
160M90.2Very high74.2Confident1 Ų156.1 Ų56.11%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-137.7136.3170.5-179-174.9176.100107.8F42 H43 W44 Q45 E46 Y91 I162 I191F42-M160 HydrophobicContact CB-CE 4.24Å; F42-M160 HydrophobicContact CD1-CE 4.14Å; H43-M160 WeakPolarHBondContact O-CE 3.23Å; W44-M160 HydrophobicContact CE3-CB 4.06Å; W44-M160 HydrophobicContact CE3-SD 3.99Å; W44-M160 HydrophobicContact CH2-CB 4Å; W44-M160 HydrophobicContact CZ3-CB 3.44Å; W44-M160 VanDerWaalsContact CZ3-CB 3.44Å; W44-M160 HydrophobicContact CZ3-CG 4.49Å; W44-M160 HydrophobicContact CZ3-SD 4.33Å; Q45-M160 PolarHBondContact N-SD 2.97Å; E46-M160 WeakPolarHBondContact O-CE 3.42Å; Y91-M160 WeakPolarHBondContact O-CA 3.36Å; M160-I162 HydrophobicContact CE-CG1 4.38Å; M160-I191 HydrophobicContact CB-CB 4.46Å; M160-I191 HydrophobicContact CB-CD1 4.45Å; M160-I191 HydrophobicContact CG-CD1 4.49Å; M160-I191 PolarHBondContact N-O 3.2Å; M160-I191 PolarHBondContact O-N 2.88Å; M160-I191 HydrophobicContact SD-CD1 4.14Å
161Y91.4Very high75Confident28 Ų2854.3 Ų54.311%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-113.7127.9177.1-64.3-97.1000108.8S90 Y91 I97 E159 I187 K190S90-Y161 CarbonylContact C-O 3.55Å; S90-Y161 VanDerWaalsContact CA-O 3.26Å; S90-Y161 WeakPolarHBondContact CA-O 3.2Å; Y91-Y161 PolarHBondContact N-O 2.89Å; Y91-Y161 PolarHBondContact O-N 3.32Å; I97-Y161 HydrophobicContact CD1-CD2 3.42Å; I97-Y161 VanDerWaalsContact CD1-CD2 3.42Å; I97-Y161 HydrophobicContact CD1-CE2 3.84Å; I97-Y161 HydrophobicContact CD1-CG 4.23Å; E159-Y161 HydrophobicContact CB-CE2 3.98Å; E159-Y161 PolarHBondContact OE2-OH 3.03Å; Y161-I187 HydrophobicContact CD1-CD1 4.13Å; Y161-I187 HydrophobicContact CD1-CG2 4.14Å; Y161-I187 HydrophobicContact CE1-CD1 4.3Å; Y161-K190 HydrophobicContact CD1-CB 4.01Å; Y161-K190 HydrophobicContact CD1-CG 4.14Å; Y161-K190 HydrophobicContact CE1-CB 3.88Å; Y161-K190 HydrophobicContact CE1-CD 3.62Å; Y161-K190 HydrophobicContact CE1-CG 3.64Å; Y161-K190 VanDerWaalsContact OH-CE 3.31Å; Y161-K190 WeakPolarHBondContact OH-CE 3.35Å; Y161-K190 PolarHBondContact OH-NZ 2.93Å
162I93.1Very high75.8Confident0 Ų053.6 Ų53.60%029%0.294CS..EExtended strand (participates in β ladder)trans-97.2125.4167.9-58.7173.9000107.1I20 V22 F42 M160 L188 C189 I191I20-I162 HydrophobicContact CB-CD1 4.3Å; I20-I162 HydrophobicContact CD1-CD1 4.16Å; I20-I162 HydrophobicContact CG2-CD1 4.27Å; V22-I162 HydrophobicContact CG2-CD1 4.16Å; V22-I162 HydrophobicContact CG2-CG2 4.06Å; F42-I162 HydrophobicContact CB-CD1 4.01Å; F42-I162 HydrophobicContact CD1-CG1 4.46Å; F42-I162 HydrophobicContact CD2-CD1 4.09Å; F42-I162 HydrophobicContact CD2-CG1 4.42Å; F42-I162 HydrophobicContact CD2-CG2 3.95Å; F42-I162 HydrophobicContact CE1-CG2 4.35Å; F42-I162 HydrophobicContact CE2-CG2 3.62Å; F42-I162 HydrophobicContact CG-CD1 4.06Å; F42-I162 HydrophobicContact CG-CG1 4.22Å; F42-I162 HydrophobicContact CG-CG2 4.45Å; F42-I162 HydrophobicContact CZ-CG2 3.84Å; M160-I162 HydrophobicContact CE-CG1 4.38Å; I162-L188 WeakPolarHBondContact O-CA 3.11Å; I162-L188 WeakPolarHBondContact O-CB 3.32Å; I162-L188 PolarHBondContact O-N 3.47Å; I162-C189 PolarHBondContact N-O 3.41Å; I162-C189 PolarHBondContact O-N 2.83Å; I162-I191 HydrophobicContact CD1-CD1 3.95Å; I162-I191 HydrophobicContact CG1-CD1 4.29Å
163M91.3Very high76.7Confident6 Ų654.5 Ų54.53%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-127.2161.4-169.3-54.4-64.8-67.500110.6F89 Y91 E186 I187F89-M163 HydrophobicContact CD1-CB 4.23Å; F89-M163 HydrophobicContact CD2-CB 3.75Å; F89-M163 HydrophobicContact CD2-CG 4.24Å; F89-M163 HydrophobicContact CE1-CB 3.82Å; F89-M163 HydrophobicContact CE2-CB 3.29Å; F89-M163 HydrophobicContact CE2-CG 3.69Å; F89-M163 HydrophobicContact CG-CB 4.19Å; F89-M163 HydrophobicContact CZ-CB 3.31Å; F89-M163 HydrophobicContact CZ-CG 4.08Å; F89-M163 PolarHBondContact N-O 3.43Å; F89-M163 PolarHBondContact O-N 2.92Å; F89-M163 VanDerWaalsContact O-O 3.11Å; Y91-M163 HydrophobicContact CD2-CG 3.69Å; Y91-M163 HydrophobicContact CD2-SD 4.41Å; Y91-M163 HydrophobicContact CE2-CG 4.11Å; M163-E186 VanDerWaalsContact CA-O 3.3Å; M163-E186 WeakPolarHBondContact CA-O 3.43Å; M163-E186 WeakPolarHBondContact CE-O 3.23Å; M163-I187 HydrophobicContact CE-CB 4.21Å; M163-I187 HydrophobicContact CE-CG1 3.55Å; M163-I187 VanDerWaalsContact SD-CA 3.51Å; M163-I187 HydrophobicContact SD-CB 3.82Å; M163-I187 HydrophobicContact SD-CG1 3.52Å; M163-I187 VanDerWaalsContact SD-CG1 3.52Å; M163-I187 HydrophobicContact SD-CG2 4.01Å
164A90.6Very high77.5Confident0 Ų050.4 Ų50.40%027%0.272CS..EExtended strand (participates in β ladder)trans-135.8141.9168.300000111.2L24 R87 L88 L166 E186 L188L24-A164 HydrophobicContact CD2-CB 4.09Å; R87-A164 WeakPolarHBondContact O-CA 3.29Å; L88-A164 HydrophobicContact CD2-CB 4.05Å; A164-L166 HydrophobicContact CB-CD2 3.89Å; A164-E186 PolarHBondContact N-O 2.79Å; A164-E186 PolarHBondContact O-N 2.84Å; A164-L188 HydrophobicContact CB-CD1 3.83Å; A164-L188 HydrophobicContact CB-CD2 4.16Å; A164-L188 HydrophobicContact CB-CG 4.07Å
165D89.4Confident78.2Confident0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-91.8113.5168.3-165-25.3000109.6P51 R87 F89 S167 I170 Y181 D184P51-D165 HydrophobicContact CG-CB 4.18Å; R87-D165 PolarHBondContact NH1-O 3.1Å; R87-D165 PolarHBondContact O-N 2.81Å; F89-D165 HydrophobicContact CE1-CB 4.04Å; D165-S167 VanDerWaalsContact C-N 3.34Å; D165-S167 VanDerWaalsContact OD1-CB 3.25Å; D165-S167 WeakPolarHBondContact OD1-CB 3.48Å; D165-S167 PolarHBondContact OD1-N 2.7Å; D165-S167 PolarHBondContact OD1-OG 2.91Å; D165-I170 HydrophobicContact CB-CD1 4.08Å; D165-Y181 WeakPolarHBondContact OD2-CE1 3.46Å; D165-Y181 PolarHBondContact OD2-OH 3.4Å; D165-D184 WeakPolarHBondContact CA-O 3.36Å; D165-D184 PolarHBondContact OD1-N 3.01Å
166L85.6Confident78.6Confident0 Ų048.3 Ų48.30%027%0.271CS..  trans-93.27.3-174.5-53.3-173.9000113.1L24 A164 D184 E186 I214 S216 Y222L24-L166 HydrophobicContact CD2-CD2 4.42Å; A164-L166 HydrophobicContact CB-CD2 3.89Å; L166-D184 HydrophobicContact CB-CB 4.41Å; L166-D184 PolarHBondContact N-O 2.89Å; L166-E186 HydrophobicContact CD1-CB 4.05Å; L166-E186 HydrophobicContact CD1-CG 3.83Å; L166-E186 HydrophobicContact CG-CB 4.4Å; L166-E186 HydrophobicContact CG-CG 4.39Å; L166-I214 HydrophobicContact CD1-CG1 4.37Å; L166-I214 HydrophobicContact CD1-CG2 3.78Å; L166-S216 PolarHBondContact O-OG 3.21Å; L166-Y222 HydrophobicContact CB-CD2 4.06Å; L166-Y222 HydrophobicContact CB-CE2 3.75Å; L166-Y222 HydrophobicContact CD1-CD2 3.91Å; L166-Y222 HydrophobicContact CD1-CE2 4.45Å; L166-Y222 HydrophobicContact CD1-CG 4.49Å; L166-Y222 HydrophobicContact CD2-CD1 4.11Å; L166-Y222 HydrophobicContact CD2-CD2 3.72Å; L166-Y222 HydrophobicContact CD2-CE1 4.39Å; L166-Y222 HydrophobicContact CD2-CE2 4.03Å; L166-Y222 HydrophobicContact CD2-CG 3.76Å; L166-Y222 HydrophobicContact CG-CD2 4.11Å; L166-Y222 HydrophobicContact CG-CE2 4.29Å; L166-Y222 PolarHBondContact O-OH 2.8Å
167S83.9Confident78.5Confident2 Ų244.1 Ų44.11%0.01425%0.249CC..  trans-57.2145.9178.6-59.90000112.4R87 D165 Y181 G183 D184R87-S167 PolarHBondContact NH1-O 3.28Å; R87-S167 PolarHBondContact NH2-O 2.75Å; D165-S167 VanDerWaalsContact C-N 3.34Å; D165-S167 VanDerWaalsContact OD1-CB 3.25Å; D165-S167 WeakPolarHBondContact OD1-CB 3.48Å; D165-S167 PolarHBondContact OD1-N 2.7Å; D165-S167 PolarHBondContact OD1-OG 2.91Å; S167-Y181 WeakPolarHBondContact CB-OH 3.29Å; S167-Y181 PolarHBondContact OG-OH 3.26Å; S167-Y181 VanDerWaalsContact OG-OH 3.08Å; S167-G183 WeakPolarHBondContact OG-CA 3.36Å; S167-D184 PolarHBondContact OG-N 2.87Å
168S72.9Confident78.2Confident59 Ų5945 Ų4541%0.41326%0.257SS..SBendtrans-68.6-44.6-176.8-59.30000112
169D71.6Confident77.1Confident138 Ų13846.7 Ų46.774%0.73828%0.276SS*.  trans-111.983.4-172.8-60.9-40.5000111.2P171D169-P171 WeakPolarHBondContact O-CD 3.4Å
170I72.7Confident76.1Confident11 Ų1151.7 Ų51.76%0.05630%0.303CS..  trans-95.1112166.9-63.2159.5000107.4P51 K86 R87 D165 Y181P51-I170 HydrophobicContact CB-CG2 4.49Å; P51-I170 HydrophobicContact CG-CG2 4.18Å; K86-I170 WeakPolarHBondContact CE-O 3.42Å; K86-I170 HydrophobicContact CG-CB 4.46Å; K86-I170 HydrophobicContact CG-CG2 3.91Å; K86-I170 PolarHBondContact NZ-O 2.79Å; R87-I170 HydrophobicContact CB-CD1 4.49Å; R87-I170 HydrophobicContact CG-CD1 3.74Å; D165-I170 HydrophobicContact CB-CD1 4.08Å; I170-Y181 WeakPolarHBondContact CG1-OH 3.48Å
171P70.6Confident75.2Confident42 Ų4253.5 Ų53.527%0.27331%0.311SS..  trans-57.1146.2172.7-19.230000111.1D169 D176 L177D169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-D176 HydrophobicContact CB-CB 3.75Å; P171-D176 HydrophobicContact CG-CB 4.22Å; P171-L177 HydrophobicContact CG-CD2 3.96Å; P171-L177 HydrophobicContact CG-CG 4.27Å
172N68.5Low74.2Confident138 Ų13857.8 Ų57.874%0.73834%0.339SS*.SBendtrans-69.6-38.3176.9-69.4-16.6000111K86K86-N172 PolarHBondContact NZ-OD1 2.89Å
173D68.2Low73.3Confident110 Ų11058.4 Ų58.459%0.58835%0.345SS*.SBendtrans-93.3128.9176.7-83.2-40000111.6A175 D176D173-A175 PolarHBondContact O-N 3.3Å; D173-D176 PolarHBondContact O-N 2.82Å
174A64.3Low73.1Confident19 Ų1958.2 Ų58.216%0.15735%0.345CS..THydrogen-bonded Turntrans-64.9-6.1174.800000113.4K54 R58 F83 L177K54-A174 HydrophobicContact CB-CB 4.36Å; R58-A174 PolarHBondContact NH1-O 2.85Å; F83-A174 HydrophobicContact CE2-CB 3.84Å; A174-L177 HydrophobicContact CB-CD1 4.22Å
175A64.8Low72.9Confident62 Ų6260.2 Ų60.251%0.51235%0.354SS..THydrogen-bonded Turntrans-78-26.7171.300000113.7D173 L177D173-A175 PolarHBondContact O-N 3.3Å; A175-L177 VanDerWaalsContact C-N 3.31Å
176D67.1Low72.9Confident115 Ų11562.1 Ų62.162%0.61536%0.363SS*.SBendtrans-90.1-3.8-178.7-58.5-24.9000111.9P171 D173 S178P171-D176 HydrophobicContact CB-CB 3.75Å; P171-D176 HydrophobicContact CG-CB 4.22Å; D173-D176 PolarHBondContact O-N 2.82Å; D176-S178 PolarHBondContact O-N 3.39Å
177L68Low72.9Confident18 Ų1862.8 Ų62.89%0.09437%0.366CS..  trans-70.7116.1173.9-76.1169.2000110.4P51 K54 A55 P171 A174 A175 Y181P51-L177 HydrophobicContact CB-CD1 4.2Å; P51-L177 HydrophobicContact CB-CD2 4.33Å; P51-L177 WeakPolarHBondContact O-CD1 3.28Å; K54-L177 HydrophobicContact CB-CD1 4.47Å; A55-L177 HydrophobicContact CB-CB 4.23Å; P171-L177 HydrophobicContact CG-CD2 3.96Å; P171-L177 HydrophobicContact CG-CG 4.27Å; A174-L177 HydrophobicContact CB-CD1 4.22Å; A175-L177 VanDerWaalsContact C-N 3.31Å; L177-Y181 HydrophobicContact CD2-CD1 4.46Å; L177-Y181 HydrophobicContact CD2-CD2 4.11Å; L177-Y181 HydrophobicContact CD2-CE2 4.3Å; L177-Y181 HydrophobicContact CD2-CG 4.18Å
178S67.5Low73.2Confident61 Ų6162.7 Ų62.743%0.42737%0.366SS..  trans-61.4140.7172.2176.90000110.9D176 L180 Y181D176-S178 PolarHBondContact O-N 3.39Å; S178-L180 PolarHBondContact O-N 3.22Å; S178-L180 VanDerWaalsContact O-N 3.12Å; S178-L180 PolarHBondContact OG-N 3.13Å; S178-Y181 WeakPolarHBondContact O-CB 3.05Å; S178-Y181 PolarHBondContact O-N 3.14Å
179P62.3Low73.9Confident126 Ų12659.9 Ų59.982%0.81835%0.346SS*.THydrogen-bonded Turntrans-58-22.2170.1-21.531.5000113.6Y181P179-Y181 VanDerWaalsContact C-N 3.29Å
180L64.8Low74.7Confident150 Ų15055.5 Ų55.579%0.78532%0.32SS*.THydrogen-bonded Turntrans-90.714.5177.8-72.4156.7000112.8S178 V182S178-L180 PolarHBondContact O-N 3.22Å; S178-L180 VanDerWaalsContact O-N 3.12Å; S178-L180 PolarHBondContact OG-N 3.13Å; L180-V182 PolarHBondContact O-N 2.89Å; L180-V182 VanDerWaalsContact O-N 3.16Å
181Y70.4Confident75.4Confident39 Ų3955 Ų5515%0.15332%0.318CS..  trans-64.8113.3177.1-174.3-98.7000110.8P51 D165 S167 I170 L177 S178 P179 G183P51-Y181 HydrophobicContact CB-CD1 4.5Å; P51-Y181 HydrophobicContact CB-CE1 3.91Å; D165-Y181 WeakPolarHBondContact OD2-CE1 3.46Å; D165-Y181 PolarHBondContact OD2-OH 3.4Å; S167-Y181 WeakPolarHBondContact CB-OH 3.29Å; S167-Y181 PolarHBondContact OG-OH 3.26Å; S167-Y181 VanDerWaalsContact OG-OH 3.08Å; I170-Y181 WeakPolarHBondContact CG1-OH 3.48Å; L177-Y181 HydrophobicContact CD2-CD1 4.46Å; L177-Y181 HydrophobicContact CD2-CD2 4.11Å; L177-Y181 HydrophobicContact CD2-CE2 4.3Å; L177-Y181 HydrophobicContact CD2-CG 4.18Å; S178-Y181 WeakPolarHBondContact O-CB 3.05Å; S178-Y181 PolarHBondContact O-N 3.14Å; P179-Y181 VanDerWaalsContact C-N 3.29Å; Y181-G183 VanDerWaalsContact CE1-CA 3.4Å
182V70.6Confident76Confident117 Ų11753.7 Ų53.771%0.70931%0.309SS*.  trans-75.6-36.8-177.2-178.80000111.4L180L180-V182 PolarHBondContact O-N 2.89Å; L180-V182 VanDerWaalsContact O-N 3.16Å
183G75.3Confident76.6Confident13 Ų1347.7 Ų47.713%0.13428%0.277CS..  trans66.9162.9-172.400000113.4S167 Y181S167-G183 WeakPolarHBondContact OG-CA 3.36Å; Y181-G183 VanDerWaalsContact CE1-CA 3.4Å
184D85.5Confident76.9Confident2 Ų242.9 Ų42.91%0.01125%0.251CS..  trans-127.269.7170.6-172.323.4000108.5D165 L166 S167 S216 K217D165-D184 WeakPolarHBondContact CA-O 3.36Å; D165-D184 PolarHBondContact OD1-N 3.01Å; L166-D184 HydrophobicContact CB-CB 4.41Å; L166-D184 PolarHBondContact N-O 2.89Å; S167-D184 PolarHBondContact OG-N 2.87Å; D184-S216 VanDerWaalsContact OD2-CA 3.29Å; D184-S216 WeakPolarHBondContact OD2-CA 3.47Å; D184-S216 WeakPolarHBondContact OD2-CB 3.38Å; D184-S216 PolarHBondContact OD2-OG 3.19Å; D184-K217 WeakPolarHBondContact OD1-CB 3.36Å; D184-K217 WeakPolarHBondContact OD1-CD 3.25Å; D184-K217 WeakPolarHBondContact OD1-CG 3.46Å; D184-K217 IonicContact OD1-NZ 3.09Å; D184-K217 PolarHBondContact OD1-NZ 3.08Å; D184-K217 PolarHBondContact OD2-N 3.1Å
185E87.3Confident77.2Confident42 Ų4245.7 Ų45.720%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-75.5125.9-177.9-61-169.7167.800110.9S50 F89 Y91S50-E185 VanDerWaalsContact CB-OE1 3.32Å; S50-E185 WeakPolarHBondContact CB-OE1 3.33Å; S50-E185 PolarHBondContact OG-OE1 2.85Å; F89-E185 HydrophobicContact CE1-CG 4.13Å; F89-E185 HydrophobicContact CZ-CB 3.9Å; F89-E185 VanDerWaalsContact CZ-CD 3.49Å; F89-E185 HydrophobicContact CZ-CG 3.56Å; Y91-E185 PolarHBondContact OH-OE1 2.96Å; Y91-E185 PolarHBondContact OH-OE2 2.88Å
186E88.1Confident77.5Confident41 Ų4148.8 Ų48.819%0.19228%0.278CS..EExtended strand (participates in β ladder)trans-132.8144.2-179.3-76-62.8152.700111.6M163 A164 L166 I214 K217M163-E186 VanDerWaalsContact CA-O 3.3Å; M163-E186 WeakPolarHBondContact CA-O 3.43Å; M163-E186 WeakPolarHBondContact CE-O 3.23Å; A164-E186 PolarHBondContact N-O 2.79Å; A164-E186 PolarHBondContact O-N 2.84Å; L166-E186 HydrophobicContact CD1-CB 4.05Å; L166-E186 HydrophobicContact CD1-CG 3.83Å; L166-E186 HydrophobicContact CG-CB 4.4Å; L166-E186 HydrophobicContact CG-CG 4.39Å; E186-I214 HydrophobicContact CB-CD1 3.63Å; E186-I214 HydrophobicContact CB-CG1 4.26Å; E186-I214 HydrophobicContact CG-CD1 4.27Å; E186-I214 HydrophobicContact CG-CG1 4.41Å; E186-K217 WeakPolarHBondContact OE1-CE 3.37Å; E186-K217 IonicContact OE1-NZ 3.89Å; E186-K217 PolarHBondContact OE1-NZ 2.88Å
187I87.6Confident77.6Confident14 Ų1446.1 Ų46.17%0.07228%0.277CS..EExtended strand (participates in β ladder)trans-80.7126.7-178.8-50.2180000110.6V99 I103 F104 Y161 M163 I214V99-I187 HydrophobicContact CG1-CD1 3.93Å; I103-I187 HydrophobicContact CB-CD1 4.49Å; I103-I187 HydrophobicContact CD1-CD1 3.34Å; I103-I187 HydrophobicContact CD1-CG1 4.27Å; I103-I187 HydrophobicContact CG1-CD1 4.49Å; I103-I187 HydrophobicContact CG2-CD1 4.45Å; F104-I187 HydrophobicContact CZ-CG2 4.45Å; Y161-I187 HydrophobicContact CD1-CD1 4.13Å; Y161-I187 HydrophobicContact CD1-CG2 4.14Å; Y161-I187 HydrophobicContact CE1-CD1 4.3Å; M163-I187 HydrophobicContact CE-CB 4.21Å; M163-I187 HydrophobicContact CE-CG1 3.55Å; M163-I187 VanDerWaalsContact SD-CA 3.51Å; M163-I187 HydrophobicContact SD-CB 3.82Å; M163-I187 HydrophobicContact SD-CG1 3.52Å; M163-I187 VanDerWaalsContact SD-CG1 3.52Å; M163-I187 HydrophobicContact SD-CG2 4.01Å; I187-I214 WeakPolarHBondContact O-CD1 3.42Å
188L88.5Confident78Confident0 Ų048.1 Ų48.10%029%0.287CS..EExtended strand (participates in β ladder)trans-95.6-53.2173.6-56.8-171.4000112.9V22 L88 I162 A164 P203 I214 F224V22-L188 HydrophobicContact CG1-CD1 3.83Å; L88-L188 HydrophobicContact CD2-CD1 3.66Å; I162-L188 WeakPolarHBondContact O-CA 3.11Å; I162-L188 WeakPolarHBondContact O-CB 3.32Å; I162-L188 PolarHBondContact O-N 3.47Å; A164-L188 HydrophobicContact CB-CD1 3.83Å; A164-L188 HydrophobicContact CB-CD2 4.16Å; A164-L188 HydrophobicContact CB-CG 4.07Å; L188-P203 WeakPolarHBondContact O-CD 3.47Å; L188-I214 HydrophobicContact CD2-CD1 4.15Å; L188-F224 HydrophobicContact CB-CD2 4.15Å; L188-F224 HydrophobicContact CB-CE2 3.99Å; L188-F224 HydrophobicContact CB-CZ 4.25Å; L188-F224 HydrophobicContact CD1-CG 4.48Å; L188-F224 HydrophobicContact CD2-CD1 3.67Å; L188-F224 HydrophobicContact CD2-CD2 4.39Å; L188-F224 HydrophobicContact CD2-CE1 3.8Å; L188-F224 HydrophobicContact CD2-CG 3.97Å; L188-F224 HydrophobicContact CD2-CZ 4.22Å; L188-F224 VanDerWaalsContact O-CE2 3.25Å; L188-F224 WeakPolarHBondContact O-CE2 3.42Å; L188-F224 VanDerWaalsContact O-CZ 3.3Å; L188-F224 WeakPolarHBondContact O-CZ 3.44Å
189C88.4Confident78.5Confident0 Ų045.8 Ų45.80%027%0.27CS..EExtended strand (participates in β ladder)trans-140144.5168.3163.40000111I162 I191 C201 K202 L226I162-C189 PolarHBondContact N-O 3.41Å; I162-C189 PolarHBondContact O-N 2.83Å; C189-I191 VanDerWaalsContact SG-CG1 3.58Å; C189-C201 WeakPolarHBondContact CB-SG 3.42Å; C189-C201 WeakPolarHBondContact SG-CB 3.17Å; C189-C201 CovalentContact SG-SG 2.09Å; C189-C201 PolarHBondContact SG-SG 3.42Å; C189-K202 CarbonylContact C-O 3.54Å; C189-K202 VanDerWaalsContact CA-O 3.23Å; C189-K202 WeakPolarHBondContact CA-O 3.44Å; C189-L226 HydrophobicContact CB-CD1 3.59Å; C189-L226 HydrophobicContact CB-CD2 4.34Å
190K87.8Confident79.3Confident45 Ų4543.8 Ų43.820%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-102.3124163.9174.9177.7175.4151.20109.4E159 Y161 T192 C201 K202E159-K190 VanDerWaalsContact CD-CE 3.43Å; E159-K190 WeakPolarHBondContact OE1-CE 3.25Å; E159-K190 IonicContact OE1-NZ 3.89Å; E159-K190 PolarHBondContact OE1-NZ 2.84Å; E159-K190 WeakPolarHBondContact OE2-CE 3.38Å; E159-K190 IonicContact OE2-NZ 2.69Å; E159-K190 PolarHBondContact OE2-NZ 2.99Å; Y161-K190 HydrophobicContact CD1-CB 4.01Å; Y161-K190 HydrophobicContact CD1-CG 4.14Å; Y161-K190 HydrophobicContact CE1-CB 3.88Å; Y161-K190 HydrophobicContact CE1-CD 3.62Å; Y161-K190 HydrophobicContact CE1-CG 3.64Å; Y161-K190 VanDerWaalsContact OH-CE 3.31Å; Y161-K190 WeakPolarHBondContact OH-CE 3.35Å; Y161-K190 PolarHBondContact OH-NZ 2.93Å; K190-T192 HydrophobicContact CD-CG2 4.1Å; K190-T192 HydrophobicContact CG-CG2 3.94Å; K190-C201 CarbonylContact O-C 3.51Å; K190-C201 WeakPolarHBondContact O-CA 3.47Å; K190-K202 PolarHBondContact N-O 3.39Å; K190-K202 PolarHBondContact O-N 2.95Å
191I88Confident80.2Confident2 Ų237.5 Ų37.51%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-109.3125.9175.1-51.7150.9000107.6F18 I20 W44 E159 M160 I162 C189 L199 R200 C201F18-I191 HydrophobicContact CE1-CD1 4.22Å; F18-I191 HydrophobicContact CE1-CG2 4.07Å; I20-I191 HydrophobicContact CD1-CD1 3.41Å; I20-I191 VanDerWaalsContact CD1-CD1 3.41Å; I20-I191 HydrophobicContact CD1-CG1 3.85Å; W44-I191 HydrophobicContact CE3-CG2 3.98Å; W44-I191 HydrophobicContact CH2-CG2 4.37Å; W44-I191 HydrophobicContact CZ3-CB 3.82Å; W44-I191 HydrophobicContact CZ3-CG2 3.45Å; W44-I191 VanDerWaalsContact CZ3-CG2 3.45Å; E159-I191 CarbonylContact C-O 3.59Å; E159-I191 WeakPolarHBondContact CA-O 3.41Å; M160-I191 HydrophobicContact CB-CB 4.46Å; M160-I191 HydrophobicContact CB-CD1 4.45Å; M160-I191 HydrophobicContact CG-CD1 4.49Å; M160-I191 PolarHBondContact N-O 3.2Å; M160-I191 PolarHBondContact O-N 2.88Å; M160-I191 HydrophobicContact SD-CD1 4.14Å; I162-I191 HydrophobicContact CD1-CD1 3.95Å; I162-I191 HydrophobicContact CG1-CD1 4.29Å; C189-I191 VanDerWaalsContact SG-CG1 3.58Å; I191-L199 HydrophobicContact CG2-CD1 4.09Å; I191-L199 HydrophobicContact CG2-CD2 4.23Å; I191-L199 HydrophobicContact CG2-CG 4.02Å; I191-R200 CarbonylContact C-O 3.57Å; I191-R200 VanDerWaalsContact CA-O 3.26Å; I191-R200 WeakPolarHBondContact CA-O 3.4Å; I191-C201 HydrophobicContact CG1-CB 4.22Å
192T82.6Confident80.8Confident13 Ų1340.8 Ų40.88%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-124.4136.3178.363.40000110.5Q158 E159 K190 L199 R200Q158-T192 WeakPolarHBondContact O-CA 3.49Å; E159-T192 HydrophobicContact CG-CG2 3.95Å; K190-T192 HydrophobicContact CD-CG2 4.1Å; K190-T192 HydrophobicContact CG-CG2 3.94Å; T192-L199 CarbonylContact O-C 3.45Å; T192-L199 WeakPolarHBondContact O-CA 3.48Å; T192-R200 PolarHBondContact N-O 2.92Å; T192-R200 PolarHBondContact O-N 3.49Å; T192-R200 PolarHBondContact OG1-NE 2.81Å; T192-R200 PolarHBondContact OG1-NH2 3.25Å
193I81.6Confident81.6Confident13 Ų1336.2 Ų36.27%0.06720%0.203CC..EExtended strand (participates in β ladder)trans-122.8128.1172.9-58.2177.5000107.6L15 W44 T157 Q158 L198 L199L15-I193 HydrophobicContact CD1-CD1 3.47Å; L15-I193 VanDerWaalsContact CD1-CD1 3.47Å; L15-I193 HydrophobicContact CD2-CD1 3.32Å; L15-I193 HydrophobicContact CG-CD1 3.91Å; W44-I193 HydrophobicContact CD2-CD1 3.86Å; W44-I193 VanDerWaalsContact CE2-CD1 3.4Å; W44-I193 HydrophobicContact CE3-CD1 4.16Å; W44-I193 HydrophobicContact CH2-CD1 3.66Å; W44-I193 HydrophobicContact CH2-CG1 3.86Å; W44-I193 HydrophobicContact CZ2-CB 4.4Å; W44-I193 HydrophobicContact CZ2-CD1 3.31Å; W44-I193 HydrophobicContact CZ2-CG1 3.92Å; W44-I193 HydrophobicContact CZ3-CD1 4.07Å; W44-I193 HydrophobicContact CZ3-CG1 4.36Å; T157-I193 CarbonylContact C-O 3.55Å; T157-I193 WeakPolarHBondContact CA-O 3.34Å; Q158-I193 PolarHBondContact N-O 3.38Å; Q158-I193 PolarHBondContact O-N 2.88Å; I193-L198 WeakPolarHBondContact CA-O 3.43Å; I193-L199 HydrophobicContact CD1-CD1 3.73Å; I193-L199 HydrophobicContact CD1-CG 4.37Å; I193-L199 HydrophobicContact CG1-CB 4.07Å; I193-L199 HydrophobicContact CG1-CD1 3.88Å; I193-L199 HydrophobicContact CG1-CG 3.97Å
194D74.9Confident82Confident8 Ų838.7 Ų38.74%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-92.7169.3174.458.638000112.6R155 T157 N196 G197 L198 R200R155-D194 HydrophobicContact CB-CB 4.22Å; T157-D194 HydrophobicContact CG2-CB 4.14Å; D194-N196 PolarHBondContact O-N 2.86Å; D194-N196 WeakPolarHBondContact OD1-CB 3.48Å; D194-N196 PolarHBondContact OD1-N 3.46Å; D194-N196 VanDerWaalsContact OD1-N 3.1Å; D194-G197 PolarHBondContact O-N 2.8Å; D194-G197 PolarHBondContact OD1-N 2.93Å; D194-L198 PolarHBondContact N-O 2.82Å; D194-L198 WeakPolarHBondContact OD1-CB 3.42Å; D194-L198 PolarHBondContact OD1-N 3.48Å; D194-R200 IonicContact OD2-CZ 2.85Å; D194-R200 IonicContact OD2-NH1 3.96Å; D194-R200 PolarHBondContact OD2-NH1 3.17Å
195S70.7Confident82Confident79 Ų7939.1 Ų39.155%0.55221%0.214SC*.THydrogen-bonded Turntrans-53.2-17.8175.557.10000114.7I156 G197I156-S195 PolarHBondContact O-N 2.91Å; I156-S195 VanDerWaalsContact O-N 3.07Å; S195-G197 VanDerWaalsContact C-N 3.34Å
196N69.7Low81.8Confident127 Ų12737.2 Ų37.268%0.67921%0.206SC*.THydrogen-bonded Turntrans-93.11.5-179.8-58.7-4.2000112D194 L198D194-N196 PolarHBondContact O-N 2.86Å; D194-N196 WeakPolarHBondContact OD1-CB 3.48Å; D194-N196 PolarHBondContact OD1-N 3.46Å; D194-N196 VanDerWaalsContact OD1-N 3.1Å; N196-L198 VanDerWaalsContact C-N 3.35Å
197G69.8Low81Confident58 Ų5841.6 Ų41.660%0.59822%0.221SC*.  trans80.112.2-178.700000114.1D194 S195 L199D194-G197 PolarHBondContact O-N 2.8Å; D194-G197 PolarHBondContact OD1-N 2.93Å; S195-G197 VanDerWaalsContact C-N 3.34Å; G197-L199 PolarHBondContact O-N 2.83Å
198L75.5Confident80.2Confident60 Ų6044.7 Ų44.731%0.31426%0.256SS..  trans-80.8115.6176.3174.766.2000110.1T8 I193 D194 N196 R200T8-L198 HydrophobicContact CG2-CD1 3.78Å; I193-L198 WeakPolarHBondContact CA-O 3.43Å; D194-L198 PolarHBondContact N-O 2.82Å; D194-L198 WeakPolarHBondContact OD1-CB 3.42Å; D194-L198 PolarHBondContact OD1-N 3.48Å; N196-L198 VanDerWaalsContact C-N 3.35Å; L198-R200 HydrophobicContact CD2-CG 4.48Å; L198-R200 HydrophobicContact CG-CG 4.27Å
199L79.2Confident79.5Confident12 Ų1248.3 Ų48.36%0.06328%0.281CS..EExtended strand (participates in β ladder)trans-90132.7173.5-173.7144.6000111.2I11 L15 F18 I191 T192 I193 G197I11-L199 HydrophobicContact CD1-CD1 3.85Å; L15-L199 HydrophobicContact CD1-CD1 3.89Å; F18-L199 HydrophobicContact CD1-CD1 3.83Å; F18-L199 HydrophobicContact CD2-CD1 4.26Å; F18-L199 HydrophobicContact CE1-CD1 3.8Å; F18-L199 HydrophobicContact CE1-CD2 4.17Å; F18-L199 HydrophobicContact CE2-CD1 4.25Å; F18-L199 HydrophobicContact CE2-CD2 3.94Å; F18-L199 HydrophobicContact CG-CD1 4.03Å; F18-L199 HydrophobicContact CZ-CD1 3.99Å; F18-L199 HydrophobicContact CZ-CD2 3.62Å; F18-L199 HydrophobicContact CZ-CG 4.47Å; I191-L199 HydrophobicContact CG2-CD1 4.09Å; I191-L199 HydrophobicContact CG2-CD2 4.23Å; I191-L199 HydrophobicContact CG2-CG 4.02Å; T192-L199 CarbonylContact O-C 3.45Å; T192-L199 WeakPolarHBondContact O-CA 3.48Å; I193-L199 HydrophobicContact CD1-CD1 3.73Å; I193-L199 HydrophobicContact CD1-CG 4.37Å; I193-L199 HydrophobicContact CG1-CB 4.07Å; I193-L199 HydrophobicContact CG1-CD1 3.88Å; I193-L199 HydrophobicContact CG1-CG 3.97Å; G197-L199 PolarHBondContact O-N 2.83Å
200R79.8Confident79.2Confident84 Ų8454.4 Ų54.432%0.31732%0.318SS..EExtended strand (participates in β ladder)trans-129.7132.1174.2-59-179.5-66.9-89.1-3.7109.6I191 T192 D194 L198I191-R200 CarbonylContact C-O 3.57Å; I191-R200 VanDerWaalsContact CA-O 3.26Å; I191-R200 WeakPolarHBondContact CA-O 3.4Å; T192-R200 PolarHBondContact N-O 2.92Å; T192-R200 PolarHBondContact O-N 3.49Å; T192-R200 PolarHBondContact OG1-NE 2.81Å; T192-R200 PolarHBondContact OG1-NH2 3.25Å; D194-R200 IonicContact OD2-CZ 2.85Å; D194-R200 IonicContact OD2-NH1 3.96Å; D194-R200 PolarHBondContact OD2-NH1 3.17Å; L198-R200 HydrophobicContact CD2-CG 4.48Å; L198-R200 HydrophobicContact CG-CG 4.27Å
201C83.3Confident79.1Confident18 Ų1855.1 Ų55.112%0.12232%0.321CS..EExtended strand (participates in β ladder)trans-110.2139.4165.5171.70000109.1C189 K190 I191 P203 F205C189-C201 WeakPolarHBondContact CB-SG 3.42Å; C189-C201 WeakPolarHBondContact SG-CB 3.17Å; C189-C201 CovalentContact SG-SG 2.09Å; C189-C201 PolarHBondContact SG-SG 3.42Å; K190-C201 CarbonylContact O-C 3.51Å; K190-C201 WeakPolarHBondContact O-CA 3.47Å; I191-C201 HydrophobicContact CG1-CB 4.22Å; C201-P203 CarbonylContact C-O 3.55Å; C201-P203 PolarHBondContact SG-O 3.46Å; C201-F205 HydrophobicContact CB-CZ 4.2Å
202K83.5Confident79.1Confident108 Ų10858.3 Ų58.347%0.4733%0.334SS..EExtended strand (participates in β ladder)trans-130.8122.2175-173.2176.4-177.7-178.20108.9F104 C189 K190F104-K202 HydrophobicContact CD2-CD 3.7Å; F104-K202 HydrophobicContact CD2-CG 4.08Å; F104-K202 HydrophobicContact CE2-CD 3.99Å; F104-K202 HydrophobicContact CE2-CG 4Å; F104-K202 HydrophobicContact CG-CD 4.23Å; F104-K202 HydrophobicContact CG-CG 4.44Å; F104-K202 HydrophobicContact CZ-CG 4.31Å; C189-K202 CarbonylContact C-O 3.54Å; C189-K202 VanDerWaalsContact CA-O 3.23Å; C189-K202 WeakPolarHBondContact CA-O 3.44Å; K190-K202 PolarHBondContact N-O 3.39Å; K190-K202 PolarHBondContact O-N 2.95Å
203P85.9Confident79.3Confident22 Ų2263.3 Ų63.314%0.14335%0.354CS..SBendcis-70.2174-2.134.5-35.5000112L188 C201 Y212 F224 L226L188-P203 WeakPolarHBondContact O-CD 3.47Å; C201-P203 CarbonylContact C-O 3.55Å; C201-P203 PolarHBondContact SG-O 3.46Å; P203-Y212 HydrophobicContact CB-CD1 4.38Å; P203-Y212 HydrophobicContact CB-CD2 4.41Å; P203-Y212 HydrophobicContact CB-CE1 3.83Å; P203-Y212 HydrophobicContact CB-CE2 3.84Å; P203-Y212 HydrophobicContact CG-CD1 4.3Å; P203-Y212 HydrophobicContact CG-CD2 3.75Å; P203-Y212 HydrophobicContact CG-CE1 4.16Å; P203-Y212 HydrophobicContact CG-CE2 3.57Å; P203-Y212 HydrophobicContact CG-CG 4.13Å; P203-F224 HydrophobicContact CG-CE2 4.31Å; P203-F224 HydrophobicContact CG-CZ 4.38Å; P203-L226 HydrophobicContact CG-CD1 3.89Å
204D83.8Confident79.5Confident65 Ų6563.7 Ų63.735%0.34836%0.356SS..PPolyproline II helixtrans-71.4170.1179.1-161.37.6000111.7Y9 Y212Y9-D204 PolarHBondContact OH-OD1 3.22Å; D204-Y212 VanDerWaalsContact O-CE2 3.24Å; D204-Y212 WeakPolarHBondContact O-CE2 3.29Å; D204-Y212 PolarHBondContact O-OH 2.99Å
205F86.1Confident79.9Confident10 Ų1070.5 Ų70.54%0.04439%0.385CS..PPolyproline II helixtrans-69139.4179.7-60.9-62.8000112Y9 F18 I20 C201 R207 L226 N228Y9-F205 HydrophobicContact CD1-CD2 4.43Å; Y9-F205 HydrophobicContact CD1-CE2 4.26Å; Y9-F205 HydrophobicContact CD2-CD2 4.49Å; Y9-F205 AromaticContact CD2-CE2 3.96Å; Y9-F205 HydrophobicContact CD2-CE2 3.96Å; Y9-F205 AromaticContact CE1-CD2 3.71Å; Y9-F205 HydrophobicContact CE1-CD2 3.71Å; Y9-F205 AromaticContact CE1-CE2 3.97Å; Y9-F205 HydrophobicContact CE1-CE2 3.97Å; Y9-F205 AromaticContact CE2-CD2 3.78Å; Y9-F205 HydrophobicContact CE2-CD2 3.78Å; Y9-F205 AromaticContact CE2-CE2 3.64Å; Y9-F205 HydrophobicContact CE2-CE2 3.64Å; Y9-F205 HydrophobicContact CG-CE2 4.26Å; Y9-F205 AromaticContact CZ-CD2 3.35Å; Y9-F205 AromaticContact CZ-CE2 3.67Å; Y9-F205 WeakPolarHBondContact OH-CD2 2.81Å; F18-F205 HydrophobicContact CE2-CZ 4.37Å; F18-F205 HydrophobicContact CZ-CZ 4.09Å; I20-F205 HydrophobicContact CD1-CE1 3.91Å; I20-F205 HydrophobicContact CD1-CZ 4.16Å; I20-F205 HydrophobicContact CG1-CE1 3.81Å; I20-F205 HydrophobicContact CG1-CZ 4.12Å; I20-F205 HydrophobicContact CG2-CE1 4.08Å; C201-F205 HydrophobicContact CB-CZ 4.2Å; F205-R207 VanDerWaalsContact C-N 3.35Å; F205-R207 HydrophobicContact CB-CG 4.37Å; F205-R207 PolarHBondContact O-N 3.48Å; F205-L226 CarbonylContact C-O 3.54Å; F205-L226 WeakPolarHBondContact CA-O 3.33Å; F205-L226 WeakPolarHBondContact CB-O 3.35Å; F205-L226 HydrophobicContact CD1-CB 3.85Å; F205-N228 HydrophobicContact CD1-CB 4.21Å; F205-N228 HydrophobicContact CD2-CB 3.76Å; F205-N228 HydrophobicContact CE1-CB 4.07Å; F205-N228 HydrophobicContact CE2-CB 3.62Å; F205-N228 HydrophobicContact CG-CB 4.09Å; F205-N228 HydrophobicContact CZ-CB 3.78Å
206T82.1Confident80.4Confident2 Ų267.5 Ų67.51%0.01236%0.364CS..  trans-67.2-26.4-17539.20000113.9G208 S209 Y212 T225 L226T206-G208 PolarHBondContact O-N 2.72Å; T206-S209 WeakPolarHBondContact O-CA 3.29Å; T206-S209 WeakPolarHBondContact O-CB 3.35Å; T206-S209 PolarHBondContact O-N 3.29Å; T206-S209 PolarHBondContact O-OG 2.89Å; T206-Y212 HydrophobicContact CG2-CD2 3.58Å; T206-Y212 HydrophobicContact CG2-CE2 3.43Å; T206-Y212 VanDerWaalsContact CG2-CE2 3.43Å; T206-Y212 HydrophobicContact CG2-CG 4.49Å; T206-T225 HydrophobicContact CG2-CG2 4.44Å; T206-T225 WeakPolarHBondContact OG1-CA 3.38Å; T206-T225 VanDerWaalsContact OG1-CB 3.3Å; T206-T225 WeakPolarHBondContact OG1-CB 3.5Å; T206-L226 PolarHBondContact N-O 2.84Å; T206-L226 PolarHBondContact OG1-N 3.14Å; T206-L226 PolarHBondContact OG1-O 2.84Å
207R72.8Confident80.8Confident134 Ų13468.4 Ų68.451%0.50636%0.362SS..THydrogen-bonded Turntrans44.135.7174.7-58.1-179.2-172.8-154.2-3.1116E7 Y9 F205 S209E7-R207 IonicContact OE1-CZ 3.01Å; E7-R207 IonicContact OE1-NH1 3.02Å; E7-R207 PolarHBondContact OE1-NH1 2.9Å; E7-R207 IonicContact OE1-NH2 3.06Å; E7-R207 IonicContact OE2-CZ 3.3Å; E7-R207 VanDerWaalsContact OE2-CZ 3.26Å; E7-R207 IonicContact OE2-NH1 2.7Å; E7-R207 PolarHBondContact OE2-NH1 3.07Å; E7-R207 IonicContact OE2-NH2 3.44Å; E7-R207 PolarHBondContact OE2-NH2 3.25Å; Y9-R207 VanDerWaalsContact CE1-NH2 3.34Å; Y9-R207 PolarHBondContact OH-NH2 2.66Å; F205-R207 VanDerWaalsContact C-N 3.35Å; F205-R207 HydrophobicContact CB-CG 4.37Å; F205-R207 PolarHBondContact O-N 3.48Å; R207-S209 VanDerWaalsContact C-N 3.26Å; R207-S209 PolarHBondContact O-N 3.46Å
208G69.5Low80.9Confident78 Ų7870.7 Ų70.780%0.80436%0.357SS*.THydrogen-bonded Turntrans75.27.3-175.100000115.6T206T206-G208 PolarHBondContact O-N 2.72Å
209S75.3Confident80.5Confident76 Ų7675.9 Ų75.953%0.53138%0.377SS..SBendtrans-78.6-171.6169.477.40000112.2T206 R207 K211T206-S209 WeakPolarHBondContact O-CA 3.29Å; T206-S209 WeakPolarHBondContact O-CB 3.35Å; T206-S209 PolarHBondContact O-N 3.29Å; T206-S209 PolarHBondContact O-OG 2.89Å; R207-S209 VanDerWaalsContact C-N 3.26Å; R207-S209 PolarHBondContact O-N 3.46Å; S209-K211 PolarHBondContact O-N 3.38Å
210V81.4Confident80.3Confident129 Ų12977 Ų7778%0.78239%0.392SS*.PPolyproline II helixtrans-62.5128.4-178.4-1750000109.9
211K85.1Confident80.5Confident60 Ų6074.4 Ų74.426%0.26139%0.387SS..PPolyproline II helixtrans-59.1141.7176.1-50.2-170.6-174.7168.30110.6F25 S209 Y223 T225F25-K211 HydrophobicContact CD2-CD 3.8Å; F25-K211 HydrophobicContact CE2-CD 3.87Å; F25-K211 HydrophobicContact CG-CD 4.41Å; S209-K211 PolarHBondContact O-N 3.38Å; K211-Y223 HydrophobicContact CB-CD1 4.49Å; K211-T225 HydrophobicContact CB-CG2 4.13Å; K211-T225 HydrophobicContact CD-CG2 3.92Å; K211-T225 HydrophobicContact CG-CG2 3.59Å
212Y88.3Confident80.6Confident69 Ų6973.9 Ų73.927%0.27138%0.382SS..EExtended strand (participates in β ladder)trans-68.5138.4174-67.1-62.7000110.1P203 D204 T206 Y223 F224 L226P203-Y212 HydrophobicContact CB-CD1 4.38Å; P203-Y212 HydrophobicContact CB-CD2 4.41Å; P203-Y212 HydrophobicContact CB-CE1 3.83Å; P203-Y212 HydrophobicContact CB-CE2 3.84Å; P203-Y212 HydrophobicContact CG-CD1 4.3Å; P203-Y212 HydrophobicContact CG-CD2 3.75Å; P203-Y212 HydrophobicContact CG-CE1 4.16Å; P203-Y212 HydrophobicContact CG-CE2 3.57Å; P203-Y212 HydrophobicContact CG-CG 4.13Å; D204-Y212 VanDerWaalsContact O-CE2 3.24Å; D204-Y212 WeakPolarHBondContact O-CE2 3.29Å; D204-Y212 PolarHBondContact O-OH 2.99Å; T206-Y212 HydrophobicContact CG2-CD2 3.58Å; T206-Y212 HydrophobicContact CG2-CE2 3.43Å; T206-Y212 VanDerWaalsContact CG2-CE2 3.43Å; T206-Y212 HydrophobicContact CG2-CG 4.49Å; Y212-Y223 CarbonylContact O-C 3.54Å; Y212-Y223 WeakPolarHBondContact O-CA 3.49Å; Y212-F224 HydrophobicContact CD2-CD2 4.21Å; Y212-F224 AromaticContact CD2-CE2 3.67Å; Y212-F224 HydrophobicContact CD2-CE2 3.67Å; Y212-F224 HydrophobicContact CD2-CZ 4.04Å; Y212-F224 HydrophobicContact CG-CE1 4.43Å; Y212-F224 HydrophobicContact CG-CE2 4.03Å; Y212-F224 AromaticContact CG-CZ 3.91Å; Y212-F224 HydrophobicContact CG-CZ 3.91Å; Y212-F224 PolarHBondContact N-O 3.31Å; Y212-F224 PolarHBondContact O-N 2.79Å; Y212-L226 HydrophobicContact CE2-CD1 4.41Å
213K87.1Confident81Confident117 Ų11770 Ų7051%0.50937%0.365SS..EExtended strand (participates in β ladder)trans-104.8131.9-179.9-178.1-179.9178.8175.70109.7S221 Y223K213-S221 WeakPolarHBondContact CE-OG 2.98Å; K213-Y223 HydrophobicContact CB-CD1 3.88Å; K213-Y223 HydrophobicContact CB-CE1 3.71Å; K213-Y223 HydrophobicContact CD-CE1 3.84Å; K213-Y223 HydrophobicContact CG-CD1 4.15Å; K213-Y223 HydrophobicContact CG-CE1 3.64Å
214I85.6Confident81.1Confident22 Ų2269.3 Ų69.311%0.11336%0.359CS..EExtended strand (participates in β ladder)trans-128144.4172.5-158.9152.8000109.9L166 E186 I187 L188 Y222 F224L166-I214 HydrophobicContact CD1-CG1 4.37Å; L166-I214 HydrophobicContact CD1-CG2 3.78Å; E186-I214 HydrophobicContact CB-CD1 3.63Å; E186-I214 HydrophobicContact CB-CG1 4.26Å; E186-I214 HydrophobicContact CG-CD1 4.27Å; E186-I214 HydrophobicContact CG-CG1 4.41Å; I187-I214 WeakPolarHBondContact O-CD1 3.42Å; L188-I214 HydrophobicContact CD2-CD1 4.15Å; I214-Y222 PolarHBondContact N-O 2.78Å; I214-Y222 PolarHBondContact O-N 2.89Å; I214-Y222 VanDerWaalsContact O-O 3.09Å; I214-F224 HydrophobicContact CB-CE1 4.31Å; I214-F224 HydrophobicContact CG2-CD1 4.37Å
215K83.5Confident81.5Confident150 Ų15066.9 Ų66.965%0.65235%0.347SS*.EExtended strand (participates in β ladder)trans-107.4129.2-177.5-66.2178.3-176.81710108.3
216S81Confident81.6Confident16 Ų1666.4 Ų66.411%0.11235%0.345CS..  trans-72.2147.3170.1172.40000110.3L166 D184 Q218 K219 G220L166-S216 PolarHBondContact O-OG 3.21Å; D184-S216 VanDerWaalsContact OD2-CA 3.29Å; D184-S216 WeakPolarHBondContact OD2-CA 3.47Å; D184-S216 WeakPolarHBondContact OD2-CB 3.38Å; D184-S216 PolarHBondContact OD2-OG 3.19Å; S216-Q218 VanDerWaalsContact C-N 3.32Å; S216-Q218 PolarHBondContact OG-N 3.08Å; S216-Q218 VanDerWaalsContact OG-N 3.12Å; S216-K219 PolarHBondContact OG-N 3.02Å; S216-G220 PolarHBondContact N-O 2.92Å; S216-G220 VanDerWaalsContact N-O 3.16Å
217K79Confident81.9Confident146 Ų14669.3 Ų69.364%0.63536%0.358SS*.SBendtrans-68.1-30.9170.7-63-175.8-167.681.70112.4D184 E186D184-K217 WeakPolarHBondContact OD1-CB 3.36Å; D184-K217 WeakPolarHBondContact OD1-CD 3.25Å; D184-K217 WeakPolarHBondContact OD1-CG 3.46Å; D184-K217 IonicContact OD1-NZ 3.09Å; D184-K217 PolarHBondContact OD1-NZ 3.08Å; D184-K217 PolarHBondContact OD2-N 3.1Å; E186-K217 WeakPolarHBondContact OE1-CE 3.37Å; E186-K217 IonicContact OE1-NZ 3.89Å; E186-K217 PolarHBondContact OE1-NZ 2.88Å
218Q70.7Confident82.5Confident107 Ų10764.5 Ų64.550%0.534%0.343SS..SBendtrans-88.7-59.5-175.5-64.7179.31.400111.7S216S216-Q218 VanDerWaalsContact C-N 3.32Å; S216-Q218 PolarHBondContact OG-N 3.08Å; S216-Q218 VanDerWaalsContact OG-N 3.12Å
219K68.3Low83.1Confident168 Ų16863.7 Ų63.773%0.7332%0.319SS*.SBendtrans-170.5135.4177.1-145.1171.7179.2178.10111.8S216S216-K219 PolarHBondContact OG-N 3.02Å
220G74.3Confident83.3Confident36 Ų3660.3 Ų60.337%0.37130%0.296SS..  trans108.9160.1170.200000114.6S216S216-G220 PolarHBondContact N-O 2.92Å; S216-G220 VanDerWaalsContact N-O 3.16Å
221S83.4Confident83Confident29 Ų2960 Ų6020%0.20329%0.289CS..EExtended strand (participates in β ladder)trans-112.5127.3169.8-66.60000108.4R27 K213R27-S221 PolarHBondContact N-O 3Å; K213-S221 WeakPolarHBondContact CE-OG 2.98Å
222Y87.1Confident82.4Confident8 Ų863 Ų633%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-102.4153.4173.3-67.9-97.8000109.4L24 F25 C26 L166 I214L24-Y222 HydrophobicContact CD1-CD1 4.26Å; L24-Y222 HydrophobicContact CD2-CD1 4.32Å; L24-Y222 HydrophobicContact CG-CD1 4.18Å; F25-Y222 CarbonylContact O-C 3.59Å; F25-Y222 VanDerWaalsContact O-CA 3.26Å; F25-Y222 WeakPolarHBondContact O-CA 3.19Å; C26-Y222 HydrophobicContact CB-CD1 3.92Å; C26-Y222 HydrophobicContact CB-CE1 3.69Å; L166-Y222 HydrophobicContact CB-CD2 4.06Å; L166-Y222 HydrophobicContact CB-CE2 3.75Å; L166-Y222 HydrophobicContact CD1-CD2 3.91Å; L166-Y222 HydrophobicContact CD1-CE2 4.45Å; L166-Y222 HydrophobicContact CD1-CG 4.49Å; L166-Y222 HydrophobicContact CD2-CD1 4.11Å; L166-Y222 HydrophobicContact CD2-CD2 3.72Å; L166-Y222 HydrophobicContact CD2-CE1 4.39Å; L166-Y222 HydrophobicContact CD2-CE2 4.03Å; L166-Y222 HydrophobicContact CD2-CG 3.76Å; L166-Y222 HydrophobicContact CG-CD2 4.11Å; L166-Y222 HydrophobicContact CG-CE2 4.29Å; L166-Y222 PolarHBondContact O-OH 2.8Å; I214-Y222 PolarHBondContact N-O 2.78Å; I214-Y222 PolarHBondContact O-N 2.89Å; I214-Y222 VanDerWaalsContact O-O 3.09Å
223Y90Very high81.6Confident25 Ų2560.8 Ų60.810%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-126.2144.6174.3-59.7-95.8000108.6F25 R27 Q34 K211 Y212 K213F25-Y223 WeakPolarHBondContact CD2-O 3.14Å; F25-Y223 PolarHBondContact N-O 2.88Å; F25-Y223 PolarHBondContact O-N 2.98Å; R27-Y223 HydrophobicContact CB-CE2 4.07Å; Q34-Y223 HydrophobicContact CG-CD2 4.24Å; K211-Y223 HydrophobicContact CB-CD1 4.49Å; Y212-Y223 CarbonylContact O-C 3.54Å; Y212-Y223 WeakPolarHBondContact O-CA 3.49Å; K213-Y223 HydrophobicContact CB-CD1 3.88Å; K213-Y223 HydrophobicContact CB-CE1 3.71Å; K213-Y223 HydrophobicContact CD-CE1 3.84Å; K213-Y223 HydrophobicContact CG-CD1 4.15Å; K213-Y223 HydrophobicContact CG-CE1 3.64Å
224F89.6Confident81.1Confident8 Ų857.8 Ų57.84%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-137.4152.1176.967.1-84000112.3K23 L24 L188 P203 Y212 I214 L226K23-F224 CarbonylContact O-C 3.56Å; K23-F224 WeakPolarHBondContact O-CA 3.3Å; L24-F224 HydrophobicContact CD1-CB 4.19Å; L188-F224 HydrophobicContact CB-CD2 4.15Å; L188-F224 HydrophobicContact CB-CE2 3.99Å; L188-F224 HydrophobicContact CB-CZ 4.25Å; L188-F224 HydrophobicContact CD1-CG 4.48Å; L188-F224 HydrophobicContact CD2-CD1 3.67Å; L188-F224 HydrophobicContact CD2-CD2 4.39Å; L188-F224 HydrophobicContact CD2-CE1 3.8Å; L188-F224 HydrophobicContact CD2-CG 3.97Å; L188-F224 HydrophobicContact CD2-CZ 4.22Å; L188-F224 VanDerWaalsContact O-CE2 3.25Å; L188-F224 WeakPolarHBondContact O-CE2 3.42Å; L188-F224 VanDerWaalsContact O-CZ 3.3Å; L188-F224 WeakPolarHBondContact O-CZ 3.44Å; P203-F224 HydrophobicContact CG-CE2 4.31Å; P203-F224 HydrophobicContact CG-CZ 4.38Å; Y212-F224 HydrophobicContact CD2-CD2 4.21Å; Y212-F224 AromaticContact CD2-CE2 3.67Å; Y212-F224 HydrophobicContact CD2-CE2 3.67Å; Y212-F224 HydrophobicContact CD2-CZ 4.04Å; Y212-F224 HydrophobicContact CG-CE1 4.43Å; Y212-F224 HydrophobicContact CG-CE2 4.03Å; Y212-F224 AromaticContact CG-CZ 3.91Å; Y212-F224 HydrophobicContact CG-CZ 3.91Å; Y212-F224 PolarHBondContact N-O 3.31Å; Y212-F224 PolarHBondContact O-N 2.79Å; I214-F224 HydrophobicContact CB-CE1 4.31Å; I214-F224 HydrophobicContact CG2-CD1 4.37Å; F224-L226 HydrophobicContact CD2-CD2 3.95Å; F224-L226 HydrophobicContact CD2-CG 3.96Å; F224-L226 HydrophobicContact CE2-CD1 4.02Å; F224-L226 HydrophobicContact CE2-CD2 4.16Å; F224-L226 HydrophobicContact CE2-CG 3.95Å
225T90.4Very high80.7Confident14 Ų1462 Ų629%0.08631%0.313CS..EExtended strand (participates in β ladder)trans-119.3139.3172.9560000109.7V22 K23 F25 T206 K211V22-T225 WeakPolarHBondContact CA-O 3.49Å; K23-T225 WeakPolarHBondContact CB-OG1 3.18Å; K23-T225 PolarHBondContact N-O 2.83Å; K23-T225 PolarHBondContact O-N 2.84Å; F25-T225 HydrophobicContact CE2-CG2 4.12Å; T206-T225 HydrophobicContact CG2-CG2 4.44Å; T206-T225 WeakPolarHBondContact OG1-CA 3.38Å; T206-T225 VanDerWaalsContact OG1-CB 3.3Å; T206-T225 WeakPolarHBondContact OG1-CB 3.5Å; K211-T225 HydrophobicContact CB-CG2 4.13Å; K211-T225 HydrophobicContact CD-CG2 3.92Å; K211-T225 HydrophobicContact CG-CG2 3.59Å
226L89.2Confident80.6Confident0 Ų060.1 Ų60.10%031%0.31CS..EExtended strand (participates in β ladder)trans-113.4122.4174.4-57.3176.6000108.3I20 V22 C189 P203 F205 T206 Y212 F224I20-L226 HydrophobicContact CG2-CD2 4.44Å; V22-L226 HydrophobicContact CB-CD2 4.47Å; V22-L226 HydrophobicContact CG1-CD2 4.26Å; V22-L226 HydrophobicContact CG2-CD2 3.65Å; C189-L226 HydrophobicContact CB-CD1 3.59Å; C189-L226 HydrophobicContact CB-CD2 4.34Å; P203-L226 HydrophobicContact CG-CD1 3.89Å; F205-L226 CarbonylContact C-O 3.54Å; F205-L226 WeakPolarHBondContact CA-O 3.33Å; F205-L226 WeakPolarHBondContact CB-O 3.35Å; F205-L226 HydrophobicContact CD1-CB 3.85Å; T206-L226 PolarHBondContact N-O 2.84Å; T206-L226 PolarHBondContact OG1-N 3.14Å; T206-L226 PolarHBondContact OG1-O 2.84Å; Y212-L226 HydrophobicContact CE2-CD1 4.41Å; F224-L226 HydrophobicContact CD2-CD2 3.95Å; F224-L226 HydrophobicContact CD2-CG 3.96Å; F224-L226 HydrophobicContact CE2-CD1 4.02Å; F224-L226 HydrophobicContact CE2-CD2 4.16Å; F224-L226 HydrophobicContact CE2-CG 3.95Å
227E88Confident80.4Confident63 Ų6362.3 Ų62.329%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-124.3126.6176.4-66.1179171.600109.7I20 R21 I229I20-E227 WeakPolarHBondContact CA-O 3.39Å; R21-E227 HydrophobicContact CB-CB 4.29Å; R21-E227 WeakPolarHBondContact CD-OE2 3.41Å; R21-E227 PolarHBondContact N-O 3.23Å; R21-E227 IonicContact NH1-OE2 2.82Å; R21-E227 PolarHBondContact NH1-OE2 2.65Å; R21-E227 PolarHBondContact O-N 3.02Å; E227-I229 HydrophobicContact CB-CG2 4.34Å; E227-I229 PolarHBondContact O-N 2.84Å
228N85.8Confident80.2Confident33 Ų3358.4 Ų58.418%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-75.2110.5168.1-176.80000108.9F205 S230F205-N228 HydrophobicContact CD1-CB 4.21Å; F205-N228 HydrophobicContact CD2-CB 3.76Å; F205-N228 HydrophobicContact CE1-CB 4.07Å; F205-N228 HydrophobicContact CE2-CB 3.62Å; F205-N228 HydrophobicContact CG-CB 4.09Å; F205-N228 HydrophobicContact CZ-CB 3.78Å; N228-S230 WeakPolarHBondContact OD1-CB 3.43Å; N228-S230 PolarHBondContact OD1-N 2.99Å; N228-S230 PolarHBondContact OD1-OG 2.99Å
229I82.5Confident80.5Confident61 Ų6158.7 Ų58.731%0.31330%0.304SS..  trans-105.311.2178.466.2159.5000112.6S19 R21 V41 E227S19-I229 WeakPolarHBondContact O-CG1 3.25Å; S19-I229 PolarHBondContact O-N 2.82Å; R21-I229 HydrophobicContact CB-CD1 4.37Å; R21-I229 HydrophobicContact CB-CG1 4.46Å; R21-I229 HydrophobicContact CB-CG2 3.73Å; V41-I229 HydrophobicContact CB-CD1 4.15Å; V41-I229 HydrophobicContact CG1-CD1 3.29Å; V41-I229 HydrophobicContact CG1-CG1 4.21Å; V41-I229 HydrophobicContact CG2-CD1 3.7Å; E227-I229 HydrophobicContact CB-CG2 4.34Å; E227-I229 PolarHBondContact O-N 2.84Å
230S80Confident81Confident6 Ų656 Ų564%0.04229%0.293CS..SBendtrans-59147.5176.6-47.10000110.3F18 S19 N228 Q232F18-S230 WeakPolarHBondContact CA-OG 3.44Å; F18-S230 WeakPolarHBondContact CD2-OG 3.41Å; S19-S230 PolarHBondContact N-OG 3.3Å; S19-S230 PolarHBondContact O-N 2.86Å; S19-S230 PolarHBondContact O-OG 3.03Å; N228-S230 WeakPolarHBondContact OD1-CB 3.43Å; N228-S230 PolarHBondContact OD1-N 2.99Å; N228-S230 PolarHBondContact OD1-OG 2.99Å; S230-Q232 PolarHBondContact O-N 2.88Å; S230-Q232 PolarHBondContact O-NE2 2.85Å
231L74.7Confident81.1Confident123 Ų12357.3 Ų57.364%0.64429%0.291SS*.PPolyproline II helixtrans-50.8116.5173.7-84.3148.2000109.9T12T12-L231 PolarHBondContact OG1-O 3.15Å; T12-L231 VanDerWaalsContact OG1-O 3.13Å
232Q71.6Confident80.8Confident122 Ų12263.7 Ų63.757%0.5731%0.31SS*.PPolyproline II helixtrans-79.6138.2179.6-64.2-60.8-53.500109.5S230S230-Q232 PolarHBondContact O-N 2.88Å; S230-Q232 PolarHBondContact O-NE2 2.85Å
233M71.3Confident80.5Confident23 Ų2367.6 Ų67.611%0.11333%0.331CS..PPolyproline II helixtrans-61.5142.4174.1-166.7151.749.900111.4V10 T12 D237 K238 I241V10-M233 HydrophobicContact CB-CE 4.39Å; V10-M233 HydrophobicContact CG1-CE 4.09Å; T12-M233 HydrophobicContact CG2-CB 3.36Å; T12-M233 HydrophobicContact CG2-CG 3.52Å; T12-M233 HydrophobicContact CG2-SD 3.66Å; M233-D237 HydrophobicContact CG-CB 3.63Å; M233-D237 HydrophobicContact SD-CB 3.93Å; M233-K238 HydrophobicContact CB-CG 3.97Å; M233-K238 HydrophobicContact CE-CB 4.2Å; M233-K238 HydrophobicContact CE-CG 3.47Å; M233-K238 VanDerWaalsContact CE-CG 3.47Å; M233-K238 HydrophobicContact CG-CG 4.02Å; M233-K238 WeakPolarHBondContact O-CE 2.91Å; M233-K238 PolarHBondContact O-NZ 3.19Å; M233-K238 HydrophobicContact SD-CG 4.47Å; M233-I241 HydrophobicContact CE-CD1 3.55Å; M233-I241 HydrophobicContact SD-CD1 3.41Å; M233-I241 WeakPolarHBondContact SD-CD1 3.48Å
234S77Confident79.9Confident54 Ų5471.8 Ų71.838%0.37835%0.353SS..PPolyproline II helixtrans-58.8146.1169.782.90000110.3L236 D237 K238S234-L236 PolarHBondContact O-N 3.47Å; S234-D237 PolarHBondContact O-N 2.82Å; S234-D237 VanDerWaalsContact O-N 3.13Å; S234-D237 WeakPolarHBondContact OG-CB 3.39Å; S234-D237 PolarHBondContact OG-N 2.87Å; S234-D237 VanDerWaalsContact OG-N 3.08Å; S234-D237 PolarHBondContact OG-OD2 2.95Å; S234-K238 PolarHBondContact O-N 2.94Å
235D77.5Confident79.1Confident111 Ų11175.4 Ų75.459%0.59437%0.373SS*.Hα-helixtrans-64.2-27178.7-68.1-34.9000112.2K238 Q239D235-K238 IonicContact OD1-NZ 2.71Å; D235-K238 PolarHBondContact OD1-NZ 3.28Å; D235-Q239 WeakPolarHBondContact O-CG 3.49Å; D235-Q239 PolarHBondContact O-N 2.83Å
236L81.4Confident78.5Confident110 Ų11081 Ų8158%0.57640%0.396SS*.Hα-helixtrans-64-45173.2-162.697.1000111.3S234 Q239 K240S234-L236 PolarHBondContact O-N 3.47Å; L236-Q239 PolarHBondContact O-N 3.32Å; L236-K240 WeakPolarHBondContact O-CG 3.2Å; L236-K240 PolarHBondContact O-N 2.72Å
237D77.6Confident77.9Confident62 Ų6286 Ų8633%0.33242%0.419SS..Hα-helixtrans-73.7-34.4179.7-61.4-40.1000111.7M233 S234 Q239 K240 I241M233-D237 HydrophobicContact CG-CB 3.63Å; M233-D237 HydrophobicContact SD-CB 3.93Å; S234-D237 PolarHBondContact O-N 2.82Å; S234-D237 VanDerWaalsContact O-N 3.13Å; S234-D237 WeakPolarHBondContact OG-CB 3.39Å; S234-D237 PolarHBondContact OG-N 2.87Å; S234-D237 VanDerWaalsContact OG-N 3.08Å; S234-D237 PolarHBondContact OG-OD2 2.95Å; D237-Q239 VanDerWaalsContact C-N 3.27Å; D237-Q239 PolarHBondContact O-N 3.5Å; D237-K240 PolarHBondContact O-N 2.96Å; D237-K240 IonicContact OD1-NZ 3.46Å; D237-K240 PolarHBondContact OD1-NZ 2.88Å; D237-I241 WeakPolarHBondContact O-CG1 3.49Å; D237-I241 PolarHBondContact O-N 3.24Å
238K73.5Confident77.3Confident63 Ų6386.3 Ų86.327%0.27442%0.423SS..Hα-helixtrans-56.2-42.9168-69.9175.7-166155.60111.7M233 S234 D235 R242M233-K238 HydrophobicContact CB-CG 3.97Å; M233-K238 HydrophobicContact CE-CB 4.2Å; M233-K238 HydrophobicContact CE-CG 3.47Å; M233-K238 VanDerWaalsContact CE-CG 3.47Å; M233-K238 HydrophobicContact CG-CG 4.02Å; M233-K238 WeakPolarHBondContact O-CE 2.91Å; M233-K238 PolarHBondContact O-NZ 3.19Å; M233-K238 HydrophobicContact SD-CG 4.47Å; S234-K238 PolarHBondContact O-N 2.94Å; D235-K238 IonicContact OD1-NZ 2.71Å; D235-K238 PolarHBondContact OD1-NZ 3.28Å; K238-R242 WeakPolarHBondContact O-CG 3.45Å; K238-R242 PolarHBondContact O-N 2.92Å
239Q77.8Confident76.4Confident114 Ų11488.2 Ų88.253%0.53344%0.439SS..Hα-helixtrans-67-41.9176.4-74-179.98.300112.1D235 L236 D237 I241 R242 N243D235-Q239 WeakPolarHBondContact O-CG 3.49Å; D235-Q239 PolarHBondContact O-N 2.83Å; L236-Q239 PolarHBondContact O-N 3.32Å; D237-Q239 VanDerWaalsContact C-N 3.27Å; D237-Q239 PolarHBondContact O-N 3.5Å; Q239-I241 PolarHBondContact O-N 2.94Å; Q239-R242 PolarHBondContact O-N 3.4Å; Q239-N243 WeakPolarHBondContact O-CB 3.46Å; Q239-N243 PolarHBondContact O-N 3.12Å; Q239-N243 PolarHBondContact O-ND2 3.12Å
240K79.4Confident76Confident111 Ų11188.2 Ų88.248%0.48344%0.439SS..Hα-helixtrans-59.1-45.5175.1-70.4175.1-165.6157.90112L236 D237 N243 M244L236-K240 WeakPolarHBondContact O-CG 3.2Å; L236-K240 PolarHBondContact O-N 2.72Å; D237-K240 PolarHBondContact O-N 2.96Å; D237-K240 IonicContact OD1-NZ 3.46Å; D237-K240 PolarHBondContact OD1-NZ 2.88Å; K240-N243 PolarHBondContact O-N 2.92Å; K240-M244 WeakPolarHBondContact O-CB 2.94Å; K240-M244 PolarHBondContact O-N 3.37Å
241I75.9Confident75.8Confident64 Ų6496.5 Ų96.533%0.32847%0.469SS..Hα-helixtrans-62.7-47.1177.2-68.1175.5000110.4M233 D237 Q239 N243 M244 D245M233-I241 HydrophobicContact CE-CD1 3.55Å; M233-I241 HydrophobicContact SD-CD1 3.41Å; M233-I241 WeakPolarHBondContact SD-CD1 3.48Å; D237-I241 WeakPolarHBondContact O-CG1 3.49Å; D237-I241 PolarHBondContact O-N 3.24Å; Q239-I241 PolarHBondContact O-N 2.94Å; I241-N243 VanDerWaalsContact C-N 3.28Å; I241-N243 PolarHBondContact O-N 3.16Å; I241-M244 CarbonylContact O-C 3.59Å; I241-M244 WeakPolarHBondContact O-CB 3.28Å; I241-M244 PolarHBondContact O-N 3.45Å; I241-M244 VanDerWaalsContact O-N 3.11Å; I241-D245 PolarHBondContact O-N 2.74Å
242R75.8Confident75.7Confident163 Ų16397.6 Ų97.662%0.61547%0.469SS*.Hα-helixtrans-58.4-39175.5-75.1176.3-177.3170.51.4112.8K238 Q239 K246K238-R242 WeakPolarHBondContact O-CG 3.45Å; K238-R242 PolarHBondContact O-N 2.92Å; Q239-R242 PolarHBondContact O-N 3.4Å; R242-K246 VanDerWaalsContact O-CG 3.25Å; R242-K246 WeakPolarHBondContact O-CG 3.13Å; R242-K246 PolarHBondContact O-N 3.39Å
243N81.4Confident75.4Confident89 Ų8999 Ų9948%0.47647%0.47SS..Hα-helixtrans-69.7-39.8177.2-70.6-17000111.3Q239 K240 I241 K246 E247Q239-N243 WeakPolarHBondContact O-CB 3.46Å; Q239-N243 PolarHBondContact O-N 3.12Å; Q239-N243 PolarHBondContact O-ND2 3.12Å; K240-N243 PolarHBondContact O-N 2.92Å; I241-N243 VanDerWaalsContact C-N 3.28Å; I241-N243 PolarHBondContact O-N 3.16Å; N243-K246 WeakPolarHBondContact O-CB 3.39Å; N243-K246 PolarHBondContact O-N 3.07Å; N243-E247 WeakPolarHBondContact O-CG 3.41Å; N243-E247 PolarHBondContact O-N 3.2Å
244M77.7Confident75.1Confident113 Ų11399.6 Ų99.656%0.55748%0.476SS*.Hα-helixtrans-62.6-44.7173.7-167.6-169.6-54.700111.7K240 I241 K246 E247 I248K240-M244 WeakPolarHBondContact O-CB 2.94Å; K240-M244 PolarHBondContact O-N 3.37Å; I241-M244 CarbonylContact O-C 3.59Å; I241-M244 WeakPolarHBondContact O-CB 3.28Å; I241-M244 PolarHBondContact O-N 3.45Å; I241-M244 VanDerWaalsContact O-N 3.11Å; M244-K246 VanDerWaalsContact C-N 3.32Å; M244-K246 PolarHBondContact O-N 3.11Å; M244-E247 WeakPolarHBondContact O-CB 3.15Å; M244-E247 PolarHBondContact O-N 3.39Å; M244-E247 VanDerWaalsContact O-N 3.16Å; M244-I248 HydrophobicContact CG-CD1 4.05Å; M244-I248 VanDerWaalsContact O-CG1 3.31Å; M244-I248 WeakPolarHBondContact O-CG1 3.34Å; M244-I248 PolarHBondContact O-N 3.45Å
245D73.2Confident74.7Confident84 Ų84103.3 Ų103.345%0.44949%0.487SS..Hα-helixtrans-61.6-40.3176.6-73-26.9000111.9I241 I248 S249I241-D245 PolarHBondContact O-N 2.74Å; D245-I248 PolarHBondContact O-N 3.43Å; D245-S249 VanDerWaalsContact O-CB 3.29Å; D245-S249 WeakPolarHBondContact O-CB 3.46Å; D245-S249 PolarHBondContact O-N 3.36Å; D245-S249 PolarHBondContact O-OG 3.45Å
246K76.7Confident73.9Confident133 Ų133104 Ų10458%0.57849%0.485SS*.Hα-helixtrans-61.9-46.6172.6-75.2172.2-178179.70111.3R242 N243 M244 S249 L250R242-K246 VanDerWaalsContact O-CG 3.25Å; R242-K246 WeakPolarHBondContact O-CG 3.13Å; R242-K246 PolarHBondContact O-N 3.39Å; N243-K246 WeakPolarHBondContact O-CB 3.39Å; N243-K246 PolarHBondContact O-N 3.07Å; M244-K246 VanDerWaalsContact C-N 3.32Å; M244-K246 PolarHBondContact O-N 3.11Å; K246-S249 PolarHBondContact O-N 3.03Å; K246-L250 WeakPolarHBondContact O-CB 3.31Å; K246-L250 VanDerWaalsContact O-CG 3.29Å; K246-L250 WeakPolarHBondContact O-CG 3.5Å; K246-L250 PolarHBondContact O-N 3.18Å
247E78.2Confident73Confident103 Ų103101.5 Ų101.548%0.48148%0.477SS..Hα-helixtrans-62-44177.1-76.3-68.115200112N243 M244 S249 L250 R251N243-E247 WeakPolarHBondContact O-CG 3.41Å; N243-E247 PolarHBondContact O-N 3.2Å; M244-E247 WeakPolarHBondContact O-CB 3.15Å; M244-E247 PolarHBondContact O-N 3.39Å; M244-E247 VanDerWaalsContact O-N 3.16Å; E247-S249 VanDerWaalsContact C-N 3.33Å; E247-S249 PolarHBondContact O-N 2.68Å; E247-L250 PolarHBondContact O-N 2.95Å; E247-R251 WeakPolarHBondContact O-CG 3.37Å; E247-R251 PolarHBondContact O-N 3.25Å
248I74.4Confident72.3Confident71 Ų71102.2 Ų102.236%0.36449%0.491SS..Hα-helixtrans-61-44.8174.7-69.2166000110.2M244 D245 L250 R251 K252M244-I248 HydrophobicContact CG-CD1 4.05Å; M244-I248 VanDerWaalsContact O-CG1 3.31Å; M244-I248 WeakPolarHBondContact O-CG1 3.34Å; M244-I248 PolarHBondContact O-N 3.45Å; D245-I248 PolarHBondContact O-N 3.43Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 3.46Å; I248-R251 PolarHBondContact O-N 3.27Å; I248-K252 HydrophobicContact CG2-CD 4.16Å; I248-K252 HydrophobicContact CG2-CG 4.43Å; I248-K252 WeakPolarHBondContact O-CB 3.45Å; I248-K252 WeakPolarHBondContact O-CG 3.05Å; I248-K252 PolarHBondContact O-N 2.81Å
249S67.7Low71.9Confident73 Ų73103 Ų10351%0.5150%0.504SS..Hα-helixtrans-62.6-41.4178.2-59.60000111.8D245 K246 E247 K252 Y253D245-S249 VanDerWaalsContact O-CB 3.29Å; D245-S249 WeakPolarHBondContact O-CB 3.46Å; D245-S249 PolarHBondContact O-N 3.36Å; D245-S249 PolarHBondContact O-OG 3.45Å; K246-S249 PolarHBondContact O-N 3.03Å; E247-S249 VanDerWaalsContact C-N 3.33Å; E247-S249 PolarHBondContact O-N 2.68Å; S249-K252 PolarHBondContact O-N 3.47Å; S249-Y253 WeakPolarHBondContact O-CB 3.46Å; S249-Y253 PolarHBondContact O-N 2.95Å
250L73.8Confident71Confident61 Ų61101.9 Ų101.932%0.31950%0.501SS..Hα-helixtrans-65.5-41.3175.1-73.6170.2000112.1K246 E247 I248 Y253 S254K246-L250 WeakPolarHBondContact O-CB 3.31Å; K246-L250 VanDerWaalsContact O-CG 3.29Å; K246-L250 WeakPolarHBondContact O-CG 3.5Å; K246-L250 PolarHBondContact O-N 3.18Å; E247-L250 PolarHBondContact O-N 2.95Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 3.46Å; L250-Y253 PolarHBondContact O-N 3.23Å; L250-S254 WeakPolarHBondContact O-CB 3.42Å; L250-S254 PolarHBondContact O-N 2.83Å; L250-S254 PolarHBondContact O-OG 3.3Å
251R74.7Confident69.8Low180 Ų18098.3 Ų98.368%0.67950%0.496SS*.Hα-helixtrans-64.2-43.4174.6-73.4179.2-173.4-168.11.6111.6E247 I248 S254 H255E247-R251 WeakPolarHBondContact O-CG 3.37Å; E247-R251 PolarHBondContact O-N 3.25Å; I248-R251 PolarHBondContact O-N 3.27Å; R251-S254 PolarHBondContact O-N 2.94Å; R251-H255 WeakPolarHBondContact O-CB 3.4Å; R251-H255 PolarHBondContact O-N 3.28Å
252K72.3Confident68.9Low146 Ų146102.9 Ų102.964%0.63551%0.513SS*.Hα-helixtrans-60.6-45.1174.5-75.6-179.4177.8-174.90111.3I248 S249 H255 F256I248-K252 HydrophobicContact CG2-CD 4.16Å; I248-K252 HydrophobicContact CG2-CG 4.43Å; I248-K252 WeakPolarHBondContact O-CB 3.45Å; I248-K252 WeakPolarHBondContact O-CG 3.05Å; I248-K252 PolarHBondContact O-N 2.81Å; S249-K252 PolarHBondContact O-N 3.47Å; K252-H255 PolarHBondContact O-N 2.91Å; K252-F256 VanDerWaalsContact O-CB 3.31Å; K252-F256 WeakPolarHBondContact O-CB 3.5Å; K252-F256 PolarHBondContact O-N 2.89Å
253Y65.6Low68.1Low152 Ų152103.5 Ų103.560%0.59652%0.524SS*.Hα-helixtrans-60.9-45.5175-180-99.8000111.8S249 L250 H255 F256 C257S249-Y253 WeakPolarHBondContact O-CB 3.46Å; S249-Y253 PolarHBondContact O-N 2.95Å; L250-Y253 PolarHBondContact O-N 3.23Å; Y253-H255 PolarHBondContact O-N 3.5Å; Y253-F256 WeakPolarHBondContact O-CB 3.46Å; Y253-F256 PolarHBondContact O-N 3.03Å; Y253-C257 VanDerWaalsContact CE1-SG 3.57Å; Y253-C257 VanDerWaalsContact CZ-SG 3.53Å; Y253-C257 WeakPolarHBondContact O-CB 3.38Å; Y253-C257 PolarHBondContact O-N 3.31Å; Y253-C257 PolarHBondContact O-SG 2.85Å
254S64.7Low67.5Low35 Ų35106 Ų10625%0.24553%0.53CS..Hα-helixtrans-63.5-42.7178.7-54.80000111.8L250 R251 C257 A258L250-S254 WeakPolarHBondContact O-CB 3.42Å; L250-S254 PolarHBondContact O-N 2.83Å; L250-S254 PolarHBondContact O-OG 3.3Å; R251-S254 PolarHBondContact O-N 2.94Å; S254-C257 PolarHBondContact O-N 3.47Å; S254-A258 WeakPolarHBondContact O-CB 3.48Å; S254-A258 PolarHBondContact O-N 2.9Å
255H68.6Low67.3Low132 Ų132106.4 Ų106.461%0.61153%0.531SS*.Hα-helixtrans-62.3-45.1173.8-17874.3000111.1R251 K252 Y253 C257 A258 S259R251-H255 WeakPolarHBondContact O-CB 3.4Å; R251-H255 PolarHBondContact O-N 3.28Å; K252-H255 PolarHBondContact O-N 2.91Å; Y253-H255 PolarHBondContact O-N 3.5Å; H255-C257 PolarHBondContact O-N 3.42Å; H255-A258 PolarHBondContact O-N 3.29Å; H255-S259 WeakPolarHBondContact O-CB 3.31Å; H255-S259 PolarHBondContact O-N 2.77Å; H255-S259 PolarHBondContact O-OG 3Å
256F62.5Low67.5Low124 Ų124105.2 Ų105.254%0.54452%0.523SS..Hα-helixtrans-60.6-44.1176.2-176.6-111.5000112.4K252 Y253 A258 S259 I260K252-F256 VanDerWaalsContact O-CB 3.31Å; K252-F256 WeakPolarHBondContact O-CB 3.5Å; K252-F256 PolarHBondContact O-N 2.89Å; Y253-F256 WeakPolarHBondContact O-CB 3.46Å; Y253-F256 PolarHBondContact O-N 3.03Å; F256-A258 VanDerWaalsContact C-N 3.33Å; F256-A258 PolarHBondContact O-N 3.48Å; F256-S259 PolarHBondContact O-N 2.82Å; F256-I260 HydrophobicContact CD1-CD1 3.51Å; F256-I260 HydrophobicContact CD2-CD1 4.16Å; F256-I260 HydrophobicContact CE1-CD1 3.12Å; F256-I260 HydrophobicContact CE1-CG1 4.33Å; F256-I260 HydrophobicContact CE2-CD1 3.82Å; F256-I260 HydrophobicContact CE2-CG1 4.26Å; F256-I260 HydrophobicContact CG-CD1 4.03Å; F256-I260 HydrophobicContact CZ-CD1 3.31Å; F256-I260 HydrophobicContact CZ-CG1 4.2Å; F256-I260 WeakPolarHBondContact O-CG1 3.29Å; F256-I260 PolarHBondContact O-N 2.75Å
257C61.1Low67.7Low59 Ų5999.6 Ų99.640%0.39950%0.501SS..Hα-helixtrans-62.6-37.7174.3-70.60000112.6Y253 S254 H255Y253-C257 VanDerWaalsContact CE1-SG 3.57Å; Y253-C257 VanDerWaalsContact CZ-SG 3.53Å; Y253-C257 WeakPolarHBondContact O-CB 3.38Å; Y253-C257 PolarHBondContact O-N 3.31Å; Y253-C257 PolarHBondContact O-SG 2.85Å; S254-C257 PolarHBondContact O-N 3.47Å; H255-C257 PolarHBondContact O-N 3.42Å
258A63.7Low67.8Low77 Ų7798.1 Ų98.164%0.63650%0.496SS*.Hα-helixtrans-68.1-40.9174.500000111.8S254 H255 F256 G261S254-A258 WeakPolarHBondContact O-CB 3.48Å; S254-A258 PolarHBondContact O-N 2.9Å; H255-A258 PolarHBondContact O-N 3.29Å; F256-A258 VanDerWaalsContact C-N 3.33Å; F256-A258 PolarHBondContact O-N 3.48Å; A258-G261 PolarHBondContact O-N 3.24Å
259S65.6Low67.7Low79 Ų7999.3 Ų99.355%0.55250%0.5SS*.Hα-helixtrans-71.2-33.5-179.5-61.90000113.6H255 F256 G261H255-S259 WeakPolarHBondContact O-CB 3.31Å; H255-S259 PolarHBondContact O-N 2.77Å; H255-S259 PolarHBondContact O-OG 3Å; F256-S259 PolarHBondContact O-N 2.82Å; S259-G261 PolarHBondContact O-N 2.87Å
260I58.3Low68.1Low90 Ų90102.8 Ų102.846%0.46251%0.508SS..THydrogen-bonded Turntrans-65.2-18.2173.7-72.9166.1000111.6F256F256-I260 HydrophobicContact CD1-CD1 3.51Å; F256-I260 HydrophobicContact CD2-CD1 4.16Å; F256-I260 HydrophobicContact CE1-CD1 3.12Å; F256-I260 HydrophobicContact CE1-CG1 4.33Å; F256-I260 HydrophobicContact CE2-CD1 3.82Å; F256-I260 HydrophobicContact CE2-CG1 4.26Å; F256-I260 HydrophobicContact CG-CD1 4.03Å; F256-I260 HydrophobicContact CZ-CD1 3.31Å; F256-I260 HydrophobicContact CZ-CG1 4.2Å; F256-I260 WeakPolarHBondContact O-CG1 3.29Å; F256-I260 PolarHBondContact O-N 2.75Å
261G54.9Low68.6Low37 Ų37100.3 Ų100.338%0.38150%0.496SS..THydrogen-bonded Turntrans60.8177.4-177.900000112.8A258 S259 Q263A258-G261 PolarHBondContact O-N 3.24Å; S259-G261 PolarHBondContact O-N 2.87Å; G261-Q263 PolarHBondContact O-N 3.48Å
262K56.3Low69.2Low159 Ų15993.2 Ų93.269%0.69147%0.47SS*.THydrogen-bonded Turntrans-88.320.7171.3-61.7176.2-174.6162.40111.7F264 D487K262-F264 PolarHBondContact O-N 3.42Å; K262-D487 VanDerWaalsContact NZ-CB 3.29Å; K262-D487 IonicContact NZ-OD1 2.74Å; K262-D487 IonicContact NZ-OD2 2.91Å; K262-D487 PolarHBondContact NZ-OD2 3.08Å
263Q58.3Low70.1Confident177 Ų17787.9 Ų87.983%0.82745%0.446SS*.  trans-73-10.4-170-69.8-173.3-16.800113.5G261 E265G261-Q263 PolarHBondContact O-N 3.48Å; Q263-E265 PolarHBondContact O-N 2.85Å
264F69.6Low71.4Confident141 Ų14180.7 Ų80.762%0.61842%0.417SS*.SBendtrans-69.599.5175.3-161.4-100.6000109.7K262 M266 Q458K262-F264 PolarHBondContact O-N 3.42Å; F264-M266 HydrophobicContact CD1-SD 4.27Å; F264-M266 HydrophobicContact CE1-SD 4.48Å; F264-M266 PolarHBondContact O-N 3.39Å; F264-M266 VanDerWaalsContact O-N 3.14Å; F264-Q458 HydrophobicContact CE1-CG 4.45Å
265E72.8Confident72.8Confident122 Ų12282.5 Ų82.557%0.5742%0.421SS*.PPolyproline II helixtrans-56.3116.2179.5-173.7-164.7-173.800109.9Q263 R273Q263-E265 PolarHBondContact O-N 2.85Å; E265-R273 IonicContact OE2-CZ 3.26Å; E265-R273 IonicContact OE2-NH1 2.92Å; E265-R273 PolarHBondContact OE2-NH1 3.29Å; E265-R273 IonicContact OE2-NH2 2.66Å; E265-R273 PolarHBondContact OE2-NH2 2.85Å
266M77.6Confident74Confident59 Ų5976.2 Ų76.229%0.29139%0.392SS..PPolyproline II helixtrans-98.2140.3175.6-77.4-68.2-65.200110.2F264 W460 L463F264-M266 HydrophobicContact CD1-SD 4.27Å; F264-M266 HydrophobicContact CE1-SD 4.48Å; F264-M266 PolarHBondContact O-N 3.39Å; F264-M266 VanDerWaalsContact O-N 3.14Å; M266-W460 HydrophobicContact CB-CZ2 4.11Å; M266-W460 HydrophobicContact CE-CD2 4.27Å; M266-W460 HydrophobicContact CE-CG 4.38Å; M266-L463 HydrophobicContact CE-CD2 4.19Å
267P80.7Confident75.6Confident15 Ų1571.9 Ų71.910%0.09738%0.379CS..PPolyproline II helixtrans-63.7168171.228.6-34.8000110.7S271 R273 Q458 W460P267-S271 WeakPolarHBondContact CB-OG 3.47Å; P267-R273 HydrophobicContact CB-CB 3.99Å; P267-R273 HydrophobicContact CG-CB 3.99Å; P267-Q458 HydrophobicContact CG-CB 4.19Å; P267-W460 VanDerWaalsContact O-CD1 3.24Å; P267-W460 PolarHBondContact O-NE1 3.42Å
268N80.3Confident77.3Confident72 Ų7269.8 Ų69.839%0.38537%0.367SS..PPolyproline II helixtrans-67.4158.5178.875.734000112Q270 S271 K342N268-Q270 PolarHBondContact O-N 3.31Å; N268-Q270 PolarHBondContact OD1-N 2.94Å; N268-S271 PolarHBondContact N-OG 2.88Å; N268-S271 VanDerWaalsContact N-OG 3.1Å; N268-S271 PolarHBondContact O-N 2.87Å; N268-S271 PolarHBondContact O-OG 3.47Å; N268-S271 WeakPolarHBondContact OD1-CB 3.39Å; N268-S271 PolarHBondContact OD1-N 3.29Å; N268-S271 PolarHBondContact OD1-OG 2.88Å; N268-K342 VanDerWaalsContact ND2-CE 3.31Å; N268-K342 WeakPolarHBondContact ND2-CE 3.46Å; N268-K342 PolarHBondContact ND2-NZ 3.16Å
269E72.5Confident78.8Confident96 Ų9669 Ų6945%0.44935%0.351SS..THydrogen-bonded Turntrans-57.9-25.1-172.2-69.1-178.2-162.900114.6W460 K493E269-W460 HydrophobicContact CB-CG 4.39Å; E269-W460 HydrophobicContact CG-CD2 4.08Å; E269-W460 HydrophobicContact CG-CG 4.05Å; E269-K493 IonicContact OE1-NZ 3.72Å; E269-K493 PolarHBondContact OE1-NZ 3.48Å
270Q76.7Confident80.4Confident146 Ų14665.3 Ų65.368%0.68232%0.324SS*.THydrogen-bonded Turntrans-104.811.4-179.1-66.4179-18.600113N268 P343N268-Q270 PolarHBondContact O-N 3.31Å; N268-Q270 PolarHBondContact OD1-N 2.94Å; Q270-P343 WeakPolarHBondContact O-CD 3.41Å
271S83.4Confident82.1Confident8 Ų864.4 Ų64.46%0.05632%0.319CS..  trans-123.1161.8-179.467.70000111.7P267 N268 Y341P267-S271 WeakPolarHBondContact CB-OG 3.47Å; N268-S271 PolarHBondContact N-OG 2.88Å; N268-S271 VanDerWaalsContact N-OG 3.1Å; N268-S271 PolarHBondContact O-N 2.87Å; N268-S271 PolarHBondContact O-OG 3.47Å; N268-S271 WeakPolarHBondContact OD1-CB 3.39Å; N268-S271 PolarHBondContact OD1-N 3.29Å; N268-S271 PolarHBondContact OD1-OG 2.88Å; S271-Y341 VanDerWaalsContact CA-O 3.28Å; S271-Y341 WeakPolarHBondContact CA-O 3.34Å; S271-Y341 VanDerWaalsContact CB-O 3.28Å; S271-Y341 WeakPolarHBondContact CB-O 3.37Å
272F86.7Confident84Confident31 Ų3162.8 Ų62.814%0.13630%0.302CS..EExtended strand (participates in β ladder)trans-125.5130174.6151.8-113.2000108.1L274 W303 T340 Y341 W357 I457 Q458F272-L274 HydrophobicContact CE1-CB 3.99Å; F272-L274 HydrophobicContact CE2-CB 4.3Å; F272-L274 HydrophobicContact CZ-CB 3.58Å; F272-L274 HydrophobicContact CZ-CD1 4.16Å; F272-L274 HydrophobicContact CZ-CG 4.33Å; F272-W303 HydrophobicContact CD1-CH2 4.34Å; F272-W303 AromaticContact CE1-CH2 3.77Å; F272-W303 HydrophobicContact CE1-CH2 3.77Å; F272-W303 HydrophobicContact CE1-CZ3 4.38Å; F272-T340 WeakPolarHBondContact O-CA 3.26Å; F272-Y341 PolarHBondContact N-O 3.27Å; F272-Y341 PolarHBondContact O-N 2.76Å; F272-W357 AromaticContact CE1-CH2 3.75Å; F272-W357 HydrophobicContact CE1-CH2 3.75Å; F272-W357 HydrophobicContact CE1-CZ2 4.25Å; F272-I457 HydrophobicContact CD2-CG2 3.81Å; F272-I457 HydrophobicContact CE2-CB 3.74Å; F272-I457 HydrophobicContact CE2-CG1 3.93Å; F272-I457 HydrophobicContact CE2-CG2 3.14Å; F272-I457 HydrophobicContact CZ-CB 4.33Å; F272-I457 HydrophobicContact CZ-CD1 4.43Å; F272-I457 HydrophobicContact CZ-CG1 4Å; F272-I457 HydrophobicContact CZ-CG2 3.9Å; F272-Q458 WeakPolarHBondContact CD2-O 3.29Å
273R91.7Very high85.8Confident35 Ų3555.2 Ų55.213%0.13227%0.269CS..EExtended strand (participates in β ladder)trans-103.4126.1175.6-176.5-176.4-171.2171.77.1109.6E265 P267 D338 L339 Q458E265-R273 IonicContact OE2-CZ 3.26Å; E265-R273 IonicContact OE2-NH1 2.92Å; E265-R273 PolarHBondContact OE2-NH1 3.29Å; E265-R273 IonicContact OE2-NH2 2.66Å; E265-R273 PolarHBondContact OE2-NH2 2.85Å; P267-R273 HydrophobicContact CB-CB 3.99Å; P267-R273 HydrophobicContact CG-CB 3.99Å; R273-D338 IonicContact CZ-OD1 3.71Å; R273-D338 IonicContact CZ-OD2 3.01Å; R273-D338 IonicContact NE-OD1 2.87Å; R273-D338 PolarHBondContact NE-OD1 3.38Å; R273-D338 IonicContact NE-OD2 3.91Å; R273-D338 PolarHBondContact NE-OD2 2.86Å; R273-D338 IonicContact NH2-OD1 2.83Å; R273-D338 IonicContact NH2-OD2 3.98Å; R273-D338 PolarHBondContact NH2-OD2 2.96Å; R273-L339 CarbonylContact C-O 3.58Å; R273-L339 VanDerWaalsContact CA-O 3.29Å; R273-L339 WeakPolarHBondContact CA-O 3.34Å; R273-Q458 HydrophobicContact CB-CB 4.29Å; R273-Q458 PolarHBondContact N-O 2.66Å; R273-Q458 PolarHBondContact O-N 2.88Å
274L92.4Very high87.5Confident0 Ų047.4 Ų47.40%023%0.234CC..EExtended strand (participates in β ladder)trans-108.3113.5174.2177.558.7000107.8F272 I276 W303 L339 W357 L383 I457F272-L274 HydrophobicContact CE1-CB 3.99Å; F272-L274 HydrophobicContact CE2-CB 4.3Å; F272-L274 HydrophobicContact CZ-CB 3.58Å; F272-L274 HydrophobicContact CZ-CD1 4.16Å; F272-L274 HydrophobicContact CZ-CG 4.33Å; L274-I276 HydrophobicContact CD1-CD1 4.28Å; L274-I276 HydrophobicContact CD1-CG1 3.98Å; L274-I276 HydrophobicContact CD2-CD1 4.09Å; L274-I276 HydrophobicContact CD2-CG1 4.45Å; L274-I276 HydrophobicContact CG-CD1 4.13Å; L274-I276 HydrophobicContact CG-CG1 3.94Å; L274-W303 HydrophobicContact CB-CH2 4.43Å; L274-W303 HydrophobicContact CB-CZ3 4.08Å; L274-W303 HydrophobicContact CD2-CH2 3.98Å; L274-W303 HydrophobicContact CD2-CZ3 4.05Å; L274-L339 HydrophobicContact CB-CB 4.38Å; L274-L339 HydrophobicContact CD2-CD1 4.42Å; L274-L339 PolarHBondContact N-O 3.12Å; L274-L339 PolarHBondContact O-N 3.39Å; L274-W357 HydrophobicContact CD2-CZ2 4.13Å; L274-L383 HydrophobicContact CD2-CD1 4.45Å; L274-I457 HydrophobicContact CD1-CG1 3.92Å
275F94.2Very high88.6Confident73 Ų7346 Ų4632%0.3223%0.233SC..EExtended strand (participates in β ladder)trans-105.7126.4172-178.7-98.8000108.8A277 F337 D338 A456F275-A277 HydrophobicContact CE1-CB 3.81Å; F275-A277 HydrophobicContact CZ-CB 4.19Å; F275-F337 WeakPolarHBondContact CA-O 3.38Å; F275-D338 HydrophobicContact CD2-CB 4.13Å; F275-A456 HydrophobicContact CB-CB 4.32Å; F275-A456 HydrophobicContact CD1-CB 4.49Å; F275-A456 PolarHBondContact N-O 3.49Å; F275-A456 PolarHBondContact O-N 3.29Å
276I95.6Very high89.5Confident0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-124.6126.1176.6-56.2-171.8000108L274 E336 F337 L383 L453 N454 C455L274-I276 HydrophobicContact CD1-CD1 4.28Å; L274-I276 HydrophobicContact CD1-CG1 3.98Å; L274-I276 HydrophobicContact CD2-CD1 4.09Å; L274-I276 HydrophobicContact CD2-CG1 4.45Å; L274-I276 HydrophobicContact CG-CD1 4.13Å; L274-I276 HydrophobicContact CG-CG1 3.94Å; I276-E336 CarbonylContact O-C 3.41Å; I276-E336 VanDerWaalsContact O-CA 3.29Å; I276-E336 WeakPolarHBondContact O-CA 3.48Å; I276-F337 HydrophobicContact CB-CB 4.44Å; I276-F337 HydrophobicContact CB-CD2 4.37Å; I276-F337 PolarHBondContact N-O 3.07Å; I276-F337 PolarHBondContact O-N 2.84Å; I276-L383 HydrophobicContact CD1-CB 3.87Å; I276-L383 HydrophobicContact CD1-CD1 3.67Å; I276-L383 HydrophobicContact CD1-CD2 3.85Å; I276-L383 HydrophobicContact CD1-CG 4Å; I276-L453 HydrophobicContact CG2-CB 4.06Å; I276-L453 HydrophobicContact CG2-CD2 4.1Å; I276-L453 HydrophobicContact CG2-CG 4.46Å; I276-N454 WeakPolarHBondContact CA-O 3.39Å; I276-C455 HydrophobicContact CG1-CB 4.5Å
277A96.2Very high90Very high34 Ų3443 Ų4328%0.28122%0.218SC..EExtended strand (participates in β ladder)trans-124.3128.2168.500000108F275 N454F275-A277 HydrophobicContact CE1-CB 3.81Å; F275-A277 HydrophobicContact CZ-CB 4.19Å; A277-N454 PolarHBondContact N-O 3.16Å; A277-N454 WeakPolarHBondContact O-CA 3.34Å; A277-N454 VanDerWaalsContact O-CB 3.3Å; A277-N454 WeakPolarHBondContact O-CB 3.45Å; A277-N454 PolarHBondContact O-N 2.82Å
278G95.3Very high90.3Very high14 Ų1444.1 Ų44.114%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-161.8-169.1-174.400000112.6P334 I335 H452G278-P334 WeakPolarHBondContact O-CA 3.45Å; G278-I335 PolarHBondContact N-O 3.38Å; G278-I335 PolarHBondContact O-N 3.37Å; G278-I335 VanDerWaalsContact O-O 3.1Å; G278-H452 CarbonylContact C-O 3.51Å; G278-H452 WeakPolarHBondContact CA-O 3.25Å
279E96.8Very high90.7Very high62 Ų6244.2 Ų44.229%0.2923%0.228SC..EExtended strand (participates in β ladder)trans-143.3147.6175.761.7179.1167.100111.3M281 H333 H452E279-M281 HydrophobicContact CG-CG 3.87Å; E279-M281 PolarHBondContact O-N 3.05Å; E279-H333 CarbonylContact C-O 3.55Å; E279-H333 WeakPolarHBondContact CA-O 3.47Å; E279-H333 WeakPolarHBondContact CB-O 3.35Å; E279-H452 HydrophobicContact CG-CB 4.25Å; E279-H452 PolarHBondContact N-O 2.7Å; E279-H452 PolarHBondContact O-N 2.81Å
280I97.5Very high91.5Very high0 Ų040.2 Ų40.20%021%0.212CC..EExtended strand (participates in β ladder)trans-79.2100160.4-51.4177.4000105.6V293 Y295 F331 S332 H333 I335 F362 I449 L451I280-V293 HydrophobicContact CD1-CG1 4.3Å; I280-Y295 HydrophobicContact CD1-CD1 3.67Å; I280-Y295 HydrophobicContact CD1-CE1 4.22Å; I280-Y295 HydrophobicContact CD1-CG 4.29Å; I280-F331 HydrophobicContact CG2-CD2 3.94Å; I280-S332 WeakPolarHBondContact O-CA 3.5Å; I280-S332 PolarHBondContact O-N 3.29Å; I280-H333 HydrophobicContact CB-CB 4.37Å; I280-H333 PolarHBondContact N-O 3.48Å; I280-H333 PolarHBondContact O-N 3.02Å; I280-I335 HydrophobicContact CD1-CG2 4.25Å; I280-I335 HydrophobicContact CG1-CD1 4.23Å; I280-I335 HydrophobicContact CG1-CG2 4.14Å; I280-F362 HydrophobicContact CD1-CE1 4.09Å; I280-F362 HydrophobicContact CG1-CE1 4.44Å; I280-I449 HydrophobicContact CG2-CG2 3.79Å; I280-L451 HydrophobicContact CB-CD2 4.14Å; I280-L451 HydrophobicContact CG1-CD2 3.81Å; I280-L451 HydrophobicContact CG2-CD2 4.08Å
281M94.9Very high92.4Very high72 Ų7233.3 Ų33.336%0.35518%0.18SC..EExtended strand (participates in β ladder)trans-66.9-52.6-173.7-66.3-176.871.400110.8E279 F331 S332 F450 H452E279-M281 HydrophobicContact CG-CG 3.87Å; E279-M281 PolarHBondContact O-N 3.05Å; M281-F331 PolarHBondContact O-N 3.37Å; M281-S332 PolarHBondContact O-N 3.02Å; M281-F450 HydrophobicContact CB-CB 4.35Å; M281-F450 WeakPolarHBondContact CB-O 3.3Å; M281-F450 PolarHBondContact N-O 2.72Å; M281-H452 HydrophobicContact CG-CB 3.96Å; M281-H452 HydrophobicContact SD-CB 3.74Å
282G94Very high92.9Very high2 Ų234.8 Ų34.82%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-178.5-179.1-16800000114I329 I449 F450G282-I329 CarbonylContact C-O 3.53Å; G282-I329 WeakPolarHBondContact CA-O 3.29Å; G282-I449 CarbonylContact O-C 3.5Å; G282-I449 WeakPolarHBondContact O-CA 3.21Å; G282-F450 PolarHBondContact N-O 3.25Å; G282-F450 PolarHBondContact O-N 2.72Å
283A95Very high93.4Very high0 Ų033.3 Ų33.30%018%0.178CC..EExtended strand (participates in β ladder)trans-143.1152.7179.200000111.3F286 I329 F331 K448A283-F286 HydrophobicContact CB-CD2 3.83Å; A283-F286 HydrophobicContact CB-CE2 3.6Å; A283-I329 PolarHBondContact N-O 2.73Å; A283-I329 PolarHBondContact O-N 3.27Å; A283-F331 HydrophobicContact CB-CE2 3.55Å; A283-F331 HydrophobicContact CB-CZ 3.97Å; A283-K448 CarbonylContact C-O 3.5Å; A283-K448 WeakPolarHBondContact CA-O 3.45Å
284T94.4Very high93.6Very high13 Ų1334.8 Ų34.88%0.0819%0.186CC..EExtended strand (participates in β ladder)trans-139.1159.7177.1670000111.5F286 I328 G447 K448 F450T284-F286 VanDerWaalsContact C-N 3.34Å; T284-F286 WeakPolarHBondContact O-CD2 3.21Å; T284-F286 PolarHBondContact O-N 3.49Å; T284-I328 HydrophobicContact CG2-CB 4.09Å; T284-I328 HydrophobicContact CG2-CG1 3.82Å; T284-I328 HydrophobicContact CG2-CG2 3.87Å; T284-G447 CarbonylContact O-C 3.49Å; T284-G447 WeakPolarHBondContact O-CA 3.29Å; T284-K448 PolarHBondContact N-O 2.97Å; T284-K448 PolarHBondContact O-N 2.96Å; T284-F450 HydrophobicContact CG2-CD2 4.45Å; T284-F450 HydrophobicContact CG2-CE2 3.67Å
285N91.8Very high93.8Very high113 Ų11335.9 Ų35.960%0.60419%0.191SC*.SBendtrans60.536.7172.1-52.595.2000114.6G447N285-G447 WeakPolarHBondContact O-CA 3.5Å; N285-G447 PolarHBondContact O-N 3.44Å
286F92.1Very high93.8Very high14 Ų1437.4 Ų37.46%0.06120%0.195CC..  trans-96.7157.5169.8-75.2-79000111A283 T284 L291 V364 E376 C396 I449A283-F286 HydrophobicContact CB-CD2 3.83Å; A283-F286 HydrophobicContact CB-CE2 3.6Å; T284-F286 VanDerWaalsContact C-N 3.34Å; T284-F286 WeakPolarHBondContact O-CD2 3.21Å; T284-F286 PolarHBondContact O-N 3.49Å; F286-L291 HydrophobicContact CB-CD1 3.51Å; F286-L291 HydrophobicContact CD1-CD1 4.46Å; F286-L291 HydrophobicContact CD2-CD1 3.66Å; F286-L291 HydrophobicContact CG-CD1 3.62Å; F286-V364 HydrophobicContact CD1-CG1 4.3Å; F286-V364 HydrophobicContact CE1-CB 4.05Å; F286-V364 HydrophobicContact CE1-CG1 3.99Å; F286-V364 HydrophobicContact CE1-CG2 4.11Å; F286-V364 HydrophobicContact CE2-CG1 4.44Å; F286-V364 HydrophobicContact CZ-CB 4.18Å; F286-V364 HydrophobicContact CZ-CG1 4.07Å; F286-V364 HydrophobicContact CZ-CG2 3.79Å; F286-E376 HydrophobicContact CD1-CB 3.82Å; F286-E376 HydrophobicContact CE1-CB 4.27Å; F286-C396 HydrophobicContact CE1-CB 4.06Å; F286-C396 HydrophobicContact CZ-CB 3.95Å; F286-I449 HydrophobicContact CE2-CG1 4.47Å; F286-I449 HydrophobicContact CZ-CG1 4.35Å
287E87Confident93.7Very high103 Ų10337.4 Ų37.448%0.48120%0.195SC..SBendtrans-78.3-33.8-168.2-164.3176.9141.100112.7R398 K444E287-R398 IonicContact OE2-NH2 3.64Å; E287-K444 IonicContact OE2-NZ 3.65Å; E287-K444 PolarHBondContact OE2-NZ 2.91Å
288N88.6Confident93.5Very high38 Ų3837.9 Ų37.920%0.20319%0.191CC..SBendtrans-120.8149.5-173.6-66.7-65.4000112.7L291 E376N288-L291 VanDerWaalsContact O-CD2 3.23Å; N288-L291 WeakPolarHBondContact O-CD2 3.43Å; N288-E376 PolarHBondContact ND2-OE1 2.91Å
289P87.5Confident93.3Very high75 Ų7539 Ų3949%0.48719%0.194SC..SBendtrans-76.8174.5170.933.6-35.8000112.2I320P289-I320 HydrophobicContact CB-CD1 3.76Å; P289-I320 HydrophobicContact CB-CG1 4.11Å
290G90.4Very high92.9Very high12 Ų1237 Ų3712%0.12419%0.187CC..SBendtrans72.344.4177.100000111.7A318 S366 L367G290-A318 WeakPolarHBondContact CA-O 3.31Å; G290-S366 CarbonylContact O-C 3.58Å; G290-S366 WeakPolarHBondContact O-CA 3.23Å; G290-L367 PolarHBondContact O-N 2.8Å
291L94.5Very high92.2Very high0 Ų044.4 Ų44.40%022%0.221CC..EExtended strand (participates in β ladder)trans-79.4148.8-178-59.8-171.1000111.4F286 N288 I317 A318 I329 F331 V364 Q365 E376F286-L291 HydrophobicContact CB-CD1 3.51Å; F286-L291 HydrophobicContact CD1-CD1 4.46Å; F286-L291 HydrophobicContact CD2-CD1 3.66Å; F286-L291 HydrophobicContact CG-CD1 3.62Å; N288-L291 VanDerWaalsContact O-CD2 3.23Å; N288-L291 WeakPolarHBondContact O-CD2 3.43Å; L291-I317 CarbonylContact O-C 3.55Å; L291-I317 WeakPolarHBondContact O-CA 3.22Å; L291-A318 PolarHBondContact N-O 3.13Å; L291-A318 VanDerWaalsContact N-O 3.17Å; L291-A318 PolarHBondContact O-N 3.26Å; L291-I329 HydrophobicContact CB-CD1 4.06Å; L291-I329 HydrophobicContact CD1-CD1 3.18Å; L291-I329 HydrophobicContact CG-CD1 3.53Å; L291-F331 HydrophobicContact CB-CE1 4.17Å; L291-F331 HydrophobicContact CB-CZ 4.04Å; L291-F331 WeakPolarHBondContact O-CE1 2.97Å; L291-V364 HydrophobicContact CB-CG1 4.4Å; L291-V364 HydrophobicContact CD1-CG1 3.99Å; L291-V364 HydrophobicContact CD2-CG1 4.32Å; L291-V364 HydrophobicContact CG-CG1 4.49Å; L291-Q365 CarbonylContact C-O 3.55Å; L291-Q365 VanDerWaalsContact CA-O 3.29Å; L291-Q365 WeakPolarHBondContact CA-O 3.22Å; L291-E376 HydrophobicContact CD2-CB 4.43Å; L291-E376 HydrophobicContact CD2-CG 3.75Å
292Y95.3Very high91.8Very high40 Ų4043.2 Ų43.216%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-140.4157.2160.965.9-77.7000108.8Q294 S315 I317 Q365 L367Y292-Q294 HydrophobicContact CD2-CG 4.15Å; Y292-Q294 HydrophobicContact CE2-CG 3.88Å; Y292-S315 WeakPolarHBondContact CA-OG 3.39Å; Y292-I317 HydrophobicContact CD1-CG1 4Å; Y292-I317 HydrophobicContact CG-CG1 4.25Å; Y292-Q365 HydrophobicContact CD1-CB 4.18Å; Y292-Q365 WeakPolarHBondContact CD1-O 3.48Å; Y292-Q365 HydrophobicContact CE1-CB 3.6Å; Y292-Q365 HydrophobicContact CE2-CB 4.16Å; Y292-Q365 PolarHBondContact N-O 3.05Å; Y292-Q365 PolarHBondContact O-N 2.9Å; Y292-Q365 PolarHBondContact OH-OE1 2.66Å; Y292-L367 HydrophobicContact CE1-CB 4.43Å
293V96.4Very high91.7Very high0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-117.1122.6-177.4-1760000108.5I280 S314 S315 F331 F362 V364 I449I280-V293 HydrophobicContact CD1-CG1 4.3Å; V293-S314 WeakPolarHBondContact O-CA 3.41Å; V293-S315 PolarHBondContact N-OG 3.48Å; V293-S315 PolarHBondContact O-N 2.99Å; V293-F331 HydrophobicContact CG2-CD2 4.29Å; V293-F331 HydrophobicContact CG2-CE1 4.25Å; V293-F331 HydrophobicContact CG2-CE2 3.66Å; V293-F331 HydrophobicContact CG2-CZ 3.65Å; V293-F362 HydrophobicContact CG1-CB 4.08Å; V293-F362 HydrophobicContact CG1-CD1 3.68Å; V293-F362 HydrophobicContact CG1-CG 4.33Å; V293-V364 HydrophobicContact CG2-CG2 4.26Å; V293-I449 HydrophobicContact CG1-CD1 4.19Å; V293-I449 HydrophobicContact CG2-CD1 4.45Å
294Q95.9Very high91.5Very high65 Ų6550.4 Ų50.430%0.30425%0.247SC..EExtended strand (participates in β ladder)trans-91.3132.9164.1-59.9-174-34.700107.8Y292 G313 F362 E363Y292-Q294 HydrophobicContact CD2-CG 4.15Å; Y292-Q294 HydrophobicContact CE2-CG 3.88Å; Q294-G313 WeakPolarHBondContact CA-O 3.43Å; Q294-F362 CarbonylContact O-C 3.49Å; Q294-F362 WeakPolarHBondContact O-CA 3.31Å; Q294-E363 HydrophobicContact CB-CB 4.42Å; Q294-E363 PolarHBondContact N-O 2.98Å; Q294-E363 PolarHBondContact O-N 3.25Å
295Y95.7Very high91.4Very high23 Ų2350.4 Ų50.49%0.0925%0.248CC..EExtended strand (participates in β ladder)trans-125149.9178.564.5-90.4000110.9I280 C312 G313 H333 I335 F337 L360 Y361I280-Y295 HydrophobicContact CD1-CD1 3.67Å; I280-Y295 HydrophobicContact CD1-CE1 4.22Å; I280-Y295 HydrophobicContact CD1-CG 4.29Å; Y295-C312 VanDerWaalsContact O-CA 3.28Å; Y295-C312 WeakPolarHBondContact O-CA 3.43Å; Y295-G313 WeakPolarHBondContact CD1-O 3.42Å; Y295-G313 VanDerWaalsContact CE1-C 3.48Å; Y295-G313 PolarHBondContact N-O 3.41Å; Y295-G313 PolarHBondContact O-N 3.43Å; Y295-G313 VanDerWaalsContact O-N 3.11Å; Y295-H333 AromaticContact CE1-CD2 3.79Å; Y295-H333 AromaticContact CE1-NE2 3.6Å; Y295-I335 HydrophobicContact CD1-CG2 4.38Å; Y295-I335 HydrophobicContact CE1-CG2 3.76Å; Y295-I335 HydrophobicContact CE2-CG2 4.04Å; Y295-F337 HydrophobicContact CD2-CZ 4.29Å; Y295-F337 HydrophobicContact CE2-CE1 4.34Å; Y295-F337 HydrophobicContact CE2-CZ 4.19Å; Y295-L360 HydrophobicContact CD2-CD1 4.14Å; Y295-Y361 CarbonylContact C-O 3.59Å; Y295-Y361 VanDerWaalsContact CA-O 3.23Å; Y295-Y361 WeakPolarHBondContact CA-O 3.24Å
296Y94.4Very high91.2Very high106 Ų10653.5 Ų53.542%0.41625%0.252SS..EExtended strand (participates in β ladder)trans-143.9127.2178.3172.3-108.9000110.1E298 L311 C312 Y361Y296-E298 HydrophobicContact CE1-CB 3.96Å; Y296-L311 CarbonylContact C-O 3.5Å; Y296-L311 WeakPolarHBondContact CA-O 2.93Å; Y296-C312 HydrophobicContact CD2-CB 4.11Å; Y296-Y361 HydrophobicContact CD1-CD2 4.3Å; Y296-Y361 PolarHBondContact N-O 3.43Å; Y296-Y361 PolarHBondContact O-N 2.92Å
297L94.9Very high91.1Very high0 Ų055.9 Ų55.90%027%0.265CS..EExtended strand (participates in β ladder)trans-99.4112.3177177.959.9000110L299 L311 F337 L339 P358 T359 L360 L383L297-L299 HydrophobicContact CD2-CD2 4.13Å; L297-L299 HydrophobicContact CG-CD2 4.06Å; L297-L311 HydrophobicContact CB-CB 4.47Å; L297-L311 HydrophobicContact CB-CD2 3.97Å; L297-L311 HydrophobicContact CD2-CD2 3.68Å; L297-L311 HydrophobicContact CG-CD2 3.98Å; L297-L311 PolarHBondContact N-O 2.98Å; L297-F337 HydrophobicContact CB-CD1 4.48Å; L297-F337 HydrophobicContact CB-CE1 3.99Å; L297-F337 HydrophobicContact CB-CZ 4.29Å; L297-F337 HydrophobicContact CD2-CB 4.12Å; L297-F337 HydrophobicContact CD2-CD1 3.48Å; L297-F337 VanDerWaalsContact CD2-CD1 3.48Å; L297-F337 HydrophobicContact CD2-CD2 4.07Å; L297-F337 HydrophobicContact CD2-CE1 3.8Å; L297-F337 HydrophobicContact CD2-CE2 4.36Å; L297-F337 HydrophobicContact CD2-CG 3.62Å; L297-F337 HydrophobicContact CD2-CZ 4.24Å; L297-L339 HydrophobicContact CD2-CD1 3.9Å; L297-L339 HydrophobicContact CD2-CD2 4.15Å; L297-P358 HydrophobicContact CD1-CB 3.97Å; L297-T359 WeakPolarHBondContact CD1-O 3.42Å; L297-L360 HydrophobicContact CB-CD1 4.04Å; L297-L360 HydrophobicContact CD1-CB 4.24Å; L297-L383 HydrophobicContact CD1-CD1 3.77Å; L297-L383 HydrophobicContact CD1-CD2 4.42Å; L297-L383 HydrophobicContact CD1-CG 4.06Å; L297-L383 HydrophobicContact CD2-CD1 3.98Å
298E91.7Very high91.2Very high43 Ų4356.5 Ų56.520%0.20127%0.268CS..EExtended strand (participates in β ladder)trans-84.9127.4173.8-171.7179.5-146.900110.3Y296 P358 T359 Y361Y296-E298 HydrophobicContact CE1-CB 3.96Å; E298-P358 WeakPolarHBondContact O-CA 3.42Å; E298-T359 PolarHBondContact N-O 2.78Å; E298-T359 PolarHBondContact O-N 3.18Å; E298-Y361 HydrophobicContact CB-CD2 4.17Å; E298-Y361 HydrophobicContact CB-CE2 3.59Å; E298-Y361 HydrophobicContact CG-CE2 4.48Å; E298-Y361 VanDerWaalsContact OE2-CE2 3.27Å; E298-Y361 WeakPolarHBondContact OE2-CE2 3.42Å; E298-Y361 PolarHBondContact OE2-OH 3.42Å
299L91.3Very high91.3Very high37 Ų3762.8 Ų62.819%0.19429%0.294CS..  trans-99.1120.4177.3-61.6-173.9000110.4L297 W303 A305 L311 L339 P358L297-L299 HydrophobicContact CD2-CD2 4.13Å; L297-L299 HydrophobicContact CG-CD2 4.06Å; L299-W303 HydrophobicContact CB-CB 4.01Å; L299-W303 HydrophobicContact CD2-CB 4.4Å; L299-A305 HydrophobicContact CD1-CB 3.93Å; L299-L311 HydrophobicContact CD1-CD1 3.84Å; L299-L311 HydrophobicContact CD1-CD2 4.14Å; L299-L311 HydrophobicContact CD2-CD2 4.25Å; L299-L311 HydrophobicContact CG-CD1 4.21Å; L299-L311 HydrophobicContact CG-CD2 4.2Å; L299-L339 HydrophobicContact CD1-CD2 4.37Å; L299-L339 HydrophobicContact CD2-CD1 4.08Å; L299-L339 HydrophobicContact CD2-CD2 3.81Å; L299-P358 HydrophobicContact CD2-CB 4.16Å; L299-P358 HydrophobicContact CD2-CG 4.34Å
300P87.2Confident91.4Very high22 Ų2261.9 Ų61.914%0.14328%0.284CS..  trans-68.6174.2174.5-16.630000111.9N302 W303 I356 W357 P358P300-N302 PolarHBondContact O-N 3.25Å; P300-W303 WeakPolarHBondContact O-CB 3.33Å; P300-W303 PolarHBondContact O-N 2.96Å; P300-W303 VanDerWaalsContact O-N 3.16Å; P300-I356 HydrophobicContact CB-CB 3.86Å; P300-I356 HydrophobicContact CB-CG2 3.85Å; P300-I356 HydrophobicContact CG-CB 4.14Å; P300-I356 HydrophobicContact CG-CG2 3.72Å; P300-I356 WeakPolarHBondContact CG-O 3.4Å; P300-W357 VanDerWaalsContact CG-C 3.44Å; P300-P358 HydrophobicContact CG-CG 4.46Å
301Q83.7Confident91.6Very high154 Ų15462 Ų6272%0.7228%0.282SS*.THydrogen-bonded Turntrans-51.4142.4171.8-166.7175.117.600110.8W303Q301-W303 PolarHBondContact O-N 3.17Å
302N86.2Confident91.5Very high47 Ų4765.6 Ų65.625%0.25131%0.307SS..THydrogen-bonded Turntrans72.6-0.2-179.4-60.8-26.9000116.4P300 Y341 K342P300-N302 PolarHBondContact O-N 3.25Å; N302-Y341 HydrophobicContact CB-CD2 4Å; N302-Y341 HydrophobicContact CB-CE2 3.58Å; N302-Y341 WeakPolarHBondContact O-CA 3.33Å; N302-K342 VanDerWaalsContact CB-O 3.24Å; N302-K342 WeakPolarHBondContact CB-O 3.45Å; N302-K342 PolarHBondContact O-N 2.83Å
303W90.7Very high91.5Very high14 Ų1464.8 Ų64.85%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-95141.9170-7086.3000111.7F272 L274 L299 P300 Q301 L339 Y341 W357 P358F272-W303 HydrophobicContact CD1-CH2 4.34Å; F272-W303 AromaticContact CE1-CH2 3.77Å; F272-W303 HydrophobicContact CE1-CH2 3.77Å; F272-W303 HydrophobicContact CE1-CZ3 4.38Å; L274-W303 HydrophobicContact CB-CH2 4.43Å; L274-W303 HydrophobicContact CB-CZ3 4.08Å; L274-W303 HydrophobicContact CD2-CH2 3.98Å; L274-W303 HydrophobicContact CD2-CZ3 4.05Å; L299-W303 HydrophobicContact CB-CB 4.01Å; L299-W303 HydrophobicContact CD2-CB 4.4Å; P300-W303 WeakPolarHBondContact O-CB 3.33Å; P300-W303 PolarHBondContact O-N 2.96Å; P300-W303 VanDerWaalsContact O-N 3.16Å; Q301-W303 PolarHBondContact O-N 3.17Å; W303-L339 HydrophobicContact CE3-CB 3.92Å; W303-L339 HydrophobicContact CE3-CD1 4.41Å; W303-L339 HydrophobicContact CZ3-CB 3.93Å; W303-L339 HydrophobicContact CZ3-CD1 4.35Å; W303-Y341 AromaticContact CD1-CD2 3.65Å; W303-Y341 AromaticContact CD2-CD2 3.93Å; W303-Y341 HydrophobicContact CD2-CD2 3.93Å; W303-Y341 HydrophobicContact CD2-CG 4.4Å; W303-Y341 AromaticContact CE2-CD2 3.55Å; W303-Y341 HydrophobicContact CG-CD2 4Å; W303-Y341 HydrophobicContact CZ2-CD2 4.15Å; W303-Y341 HydrophobicContact CZ2-CG 4.27Å; W303-Y341 AromaticContact NE1-CD2 3.35Å; W303-Y341 AromaticContact NE1-CE2 3.78Å; W303-W357 HydrophobicContact CH2-CD2 4.45Å; W303-W357 HydrophobicContact CH2-CE3 4.41Å; W303-W357 AromaticContact CH2-CH2 3.67Å; W303-W357 HydrophobicContact CH2-CH2 3.67Å; W303-W357 AromaticContact CH2-CZ2 3.68Å; W303-W357 HydrophobicContact CH2-CZ2 3.68Å; W303-W357 HydrophobicContact CH2-CZ3 4.06Å; W303-W357 AromaticContact CZ2-CD2 3.91Å; W303-W357 HydrophobicContact CZ2-CD2 3.91Å; W303-W357 AromaticContact CZ2-CE3 3.63Å; W303-W357 HydrophobicContact CZ2-CE3 3.63Å; W303-W357 AromaticContact CZ2-CH2 3.62Å; W303-W357 HydrophobicContact CZ2-CH2 3.62Å; W303-W357 AromaticContact CZ2-CZ2 3.89Å; W303-W357 HydrophobicContact CZ2-CZ2 3.89Å; W303-W357 AromaticContact CZ2-CZ3 3.48Å; W303-W357 HydrophobicContact CZ2-CZ3 3.48Å; W303-W357 VanDerWaalsContact CZ2-CZ3 3.48Å; W303-P358 HydrophobicContact CD2-CG 3.46Å; W303-P358 VanDerWaalsContact CD2-CG 3.46Å; W303-P358 VanDerWaalsContact CE2-CD 3.43Å; W303-P358 HydrophobicContact CE3-CG 3.69Å; W303-P358 HydrophobicContact CG-CG 3.93Å; W303-P358 HydrophobicContact CH2-CG 3.98Å; W303-P358 VanDerWaalsContact CZ2-CD 3.49Å; W303-P358 HydrophobicContact CZ2-CG 3.83Å; W303-P358 HydrophobicContact CZ3-CG 3.94Å
304K91Very high91.4Very high140 Ų14067.8 Ų67.861%0.60933%0.331SS*.EExtended strand (participates in β ladder)trans-136140.5172.7-62.4-169.4177.9-168.30109.5L339 T340K304-L339 CarbonylContact O-C 3.58Å; K304-L339 WeakPolarHBondContact O-CA 3.44Å; K304-T340 PolarHBondContact N-O 3.46Å; K304-T340 PolarHBondContact O-N 3.32Å
305A92.9Very high91.4Very high13 Ų1365.2 Ų65.211%0.10732%0.32CS..EExtended strand (participates in β ladder)trans-87.9150.8168.400000110.2L299 L311 D338 L339L299-A305 HydrophobicContact CD1-CB 3.93Å; A305-L311 HydrophobicContact CB-CD1 4.03Å; A305-L311 HydrophobicContact CB-CD2 3.94Å; A305-L311 HydrophobicContact CB-CG 4.09Å; A305-D338 WeakPolarHBondContact CA-O 3.43Å; A305-L339 HydrophobicContact CB-CD2 3.92Å
306Y87.9Confident91.3Very high178 Ų17868.7 Ų68.770%0.69834%0.337SS*.SBendtrans-69.1-50.4168.3-178.3-95.7000110.8D338Y306-D338 PolarHBondContact N-O 3.26Å
307D89.2Confident91.3Very high63 Ų6368 Ų6834%0.33734%0.34SS..  trans-118.6109.3171.3-170.3-7.5000110.1K309 L310D307-K309 PolarHBondContact O-N 3.34Å; D307-K309 VanDerWaalsContact OD1-CB 3.28Å; D307-K309 WeakPolarHBondContact OD1-CB 3.38Å; D307-K309 WeakPolarHBondContact OD1-CG 3.49Å; D307-K309 PolarHBondContact OD1-N 3.29Å; D307-L310 HydrophobicContact CB-CD1 3.96Å; D307-L310 HydrophobicContact CB-CG 4.11Å; D307-L310 PolarHBondContact O-N 3.14Å
308H89.7Confident91.2Very high117 Ų11768.4 Ų68.454%0.54234%0.344SS..G310 helixtrans-66.1-20.3178.4-78.7-84.3000113.2L310 L311H308-L310 PolarHBondContact O-N 3.27Å; H308-L311 HydrophobicContact CB-CD1 4.32Å; H308-L311 WeakPolarHBondContact ND1-CD1 3.27Å; H308-L311 WeakPolarHBondContact O-CB 3.29Å; H308-L311 WeakPolarHBondContact O-CG 3.46Å; H308-L311 PolarHBondContact O-N 3.42Å
309K89.9Confident90.9Very high169 Ų16970.5 Ų70.574%0.73536%0.363SS*.G310 helixtrans-67.9-27.1178-62.5174.4-177.9174.70112.3D307 L311D307-K309 PolarHBondContact O-N 3.34Å; D307-K309 VanDerWaalsContact OD1-CB 3.28Å; D307-K309 WeakPolarHBondContact OD1-CB 3.38Å; D307-K309 WeakPolarHBondContact OD1-CG 3.49Å; D307-K309 PolarHBondContact OD1-N 3.29Å; K309-L311 PolarHBondContact O-N 3.15Å
310L91.2Very high90.6Very high56 Ų5670.9 Ų70.929%0.29337%0.365SS..G310 helixtrans-77.8-8.5178.6-60.8175.7000112.7D307 H308 C312 E336 F337D307-L310 HydrophobicContact CB-CD1 3.96Å; D307-L310 HydrophobicContact CB-CG 4.11Å; D307-L310 PolarHBondContact O-N 3.14Å; H308-L310 PolarHBondContact O-N 3.27Å; L310-C312 PolarHBondContact O-N 3.18Å; L310-E336 HydrophobicContact CD1-CG 4.11Å; L310-F337 VanDerWaalsContact O-CE1 3.23Å; L310-F337 WeakPolarHBondContact O-CE1 3.3Å
311L93.1Very high90.4Very high16 Ų1675.5 Ų75.58%0.08438%0.383CS..G310 helixtrans-71.4-19.4179.2-64178.4000113Y296 L297 L299 A305 H308 K309 L339Y296-L311 CarbonylContact C-O 3.5Å; Y296-L311 WeakPolarHBondContact CA-O 2.93Å; L297-L311 HydrophobicContact CB-CB 4.47Å; L297-L311 HydrophobicContact CB-CD2 3.97Å; L297-L311 HydrophobicContact CD2-CD2 3.68Å; L297-L311 HydrophobicContact CG-CD2 3.98Å; L297-L311 PolarHBondContact N-O 2.98Å; L299-L311 HydrophobicContact CD1-CD1 3.84Å; L299-L311 HydrophobicContact CD1-CD2 4.14Å; L299-L311 HydrophobicContact CD2-CD2 4.25Å; L299-L311 HydrophobicContact CG-CD1 4.21Å; L299-L311 HydrophobicContact CG-CD2 4.2Å; A305-L311 HydrophobicContact CB-CD1 4.03Å; A305-L311 HydrophobicContact CB-CD2 3.94Å; A305-L311 HydrophobicContact CB-CG 4.09Å; H308-L311 HydrophobicContact CB-CD1 4.32Å; H308-L311 WeakPolarHBondContact ND1-CD1 3.27Å; H308-L311 WeakPolarHBondContact O-CB 3.29Å; H308-L311 WeakPolarHBondContact O-CG 3.46Å; H308-L311 PolarHBondContact O-N 3.42Å; K309-L311 PolarHBondContact O-N 3.15Å; L311-L339 HydrophobicContact CD2-CD2 4.19Å
312C94.1Very high90.2Very high75 Ų7573.6 Ų73.651%0.50738%0.377SS..EExtended strand (participates in β ladder)trans-132.8151.7174.962.80000111.4Y295 Y296 L310Y295-C312 VanDerWaalsContact O-CA 3.28Å; Y295-C312 WeakPolarHBondContact O-CA 3.43Å; Y296-C312 HydrophobicContact CD2-CB 4.11Å; L310-C312 PolarHBondContact O-N 3.18Å
313G94.3Very high89.7Confident23 Ų2377.9 Ų77.924%0.23739%0.391CS..EExtended strand (participates in β ladder)trans-172.8174.9177.300000112.3Q294 Y295Q294-G313 WeakPolarHBondContact CA-O 3.43Å; Y295-G313 WeakPolarHBondContact CD1-O 3.42Å; Y295-G313 VanDerWaalsContact CE1-C 3.48Å; Y295-G313 PolarHBondContact N-O 3.41Å; Y295-G313 PolarHBondContact O-N 3.43Å; Y295-G313 VanDerWaalsContact O-N 3.11Å
314S95.2Very high89.2Confident63 Ų6380.7 Ų80.744%0.44142%0.424SS..EExtended strand (participates in β ladder)trans-134134.8179.7-58.50000109.2V293 H333V293-S314 WeakPolarHBondContact O-CA 3.41Å; S314-H333 PolarHBondContact O-CE1 3.19Å
315S95.4Very high88.6Confident10 Ų1082.4 Ų82.47%0.0744%0.44CS..PPolyproline II helixtrans-71.7166.7169.7780000111.3Y292 V293Y292-S315 WeakPolarHBondContact CA-OG 3.39Å; V293-S315 PolarHBondContact N-OG 3.48Å; V293-S315 PolarHBondContact O-N 2.99Å
316Q94.4Very high88Confident96 Ų9687.6 Ų87.645%0.44946%0.462SS..PPolyproline II helixtrans-66.316216275.7-791700111.3F331Q316-F331 PolarHBondContact NE2-O 3.32Å
317I93.6Very high87.8Confident91 Ų9183.9 Ų83.947%0.46745%0.451SS..PPolyproline II helixtrans-76.6127.6172.1-59.6170.4000108.8L291 Y292 L367L291-I317 CarbonylContact O-C 3.55Å; L291-I317 WeakPolarHBondContact O-CA 3.22Å; Y292-I317 HydrophobicContact CD1-CG1 4Å; Y292-I317 HydrophobicContact CG-CG1 4.25Å; I317-L367 HydrophobicContact CD1-CB 4.14Å; I317-L367 HydrophobicContact CD1-CD2 3.56Å; I317-L367 HydrophobicContact CD1-CG 4.49Å
318A91.7Very high87.9Confident10 Ų1082.3 Ų82.38%0.08344%0.442CS..BIsolated β-bridgetrans-118142.4-179.600000111.4G290 L291 I329 M330 F331G290-A318 WeakPolarHBondContact CA-O 3.31Å; L291-A318 PolarHBondContact N-O 3.13Å; L291-A318 VanDerWaalsContact N-O 3.17Å; L291-A318 PolarHBondContact O-N 3.26Å; A318-I329 HydrophobicContact CB-CG2 3.44Å; A318-I329 VanDerWaalsContact CB-CG2 3.44Å; A318-M330 WeakPolarHBondContact CB-O 3.2Å; A318-F331 HydrophobicContact CB-CD1 3.65Å; A318-F331 HydrophobicContact CB-CE1 3.83Å
319S86.8Confident87.9Confident86 Ų8677 Ų7760%0.60142%0.418SS*.  trans-90.5155.7174.458.60000111.5
320I84Confident88.1Confident46 Ų4673.2 Ų73.224%0.23640%0.404CS..EExtended strand (participates in β ladder)trans-70.3136.8177.6-61.5173.9000109.7P289 N322 E327 I329P289-I320 HydrophobicContact CB-CD1 3.76Å; P289-I320 HydrophobicContact CB-CG1 4.11Å; I320-N322 WeakPolarHBondContact CG2-OD1 3.09Å; I320-E327 HydrophobicContact CG2-CB 3.74Å; I320-E327 HydrophobicContact CG2-CG 4.14Å; I320-I329 HydrophobicContact CB-CG1 4.27Å; I320-I329 HydrophobicContact CG1-CD1 3.77Å; I320-I329 HydrophobicContact CG1-CG1 3.66Å
321K83.8Confident88.2Confident119 Ų11970.7 Ų70.752%0.51739%0.391SS..EExtended strand (participates in β ladder)trans-117.7131.2165.5-69.8-174.6178.6179.30109.5Y323 I328K321-Y323 HydrophobicContact CB-CD2 4.3Å; K321-Y323 HydrophobicContact CB-CE2 3.92Å; K321-Y323 HydrophobicContact CD-CE2 4.49Å; K321-I328 PolarHBondContact N-O 3.28Å; K321-I328 PolarHBondContact O-N 2.85Å
322N80.1Confident88.2Confident114 Ų11473.4 Ų73.461%0.6141%0.411SS*.EExtended strand (participates in β ladder)trans-88.7117.3179.8-63.4-12.1000109.3I320I320-N322 WeakPolarHBondContact CG2-OD1 3.09Å
323Y74.9Confident88.3Confident137 Ų13771.3 Ų71.354%0.53739%0.394SS..EExtended strand (participates in β ladder)trans-111.194.2172.1-77.8-84.5000108.4K321 N325 E326 I328K321-Y323 HydrophobicContact CB-CD2 4.3Å; K321-Y323 HydrophobicContact CB-CE2 3.92Å; K321-Y323 HydrophobicContact CD-CE2 4.49Å; Y323-N325 PolarHBondContact O-N 2.88Å; Y323-E326 PolarHBondContact N-O 3.11Å; Y323-E326 PolarHBondContact O-N 2.8Å; Y323-I328 HydrophobicContact CD2-CB 4.32Å; Y323-I328 HydrophobicContact CD2-CD1 4.24Å; Y323-I328 HydrophobicContact CD2-CG1 4.48Å; Y323-I328 HydrophobicContact CG-CD1 4.5Å
324G79.5Confident88.4Confident73 Ų7374.8 Ų74.875%0.75341%0.412SS*.THydrogen-bonded Turntrans66-120.1-173.600000111.2
325N79Confident88.4Confident175 Ų17572 Ų7294%0.93639%0.392SS*.THydrogen-bonded Turntrans-94.11178.3-71.4-4.3000113.4Y323Y323-N325 PolarHBondContact O-N 2.88Å
326E80.2Confident88.4Confident122 Ų12276.2 Ų76.257%0.5741%0.411SS*.EExtended strand (participates in β ladder)trans-109.2129.3-177.9-64.8-173.9172.600111.4Y323 I328Y323-E326 PolarHBondContact N-O 3.11Å; Y323-E326 PolarHBondContact O-N 2.8Å; E326-I328 HydrophobicContact CB-CG1 4.32Å
327E84.2Confident88.5Confident100 Ų10071.8 Ų71.847%0.46739%0.39SS..EExtended strand (participates in β ladder)trans-86.6112173-63.6-171.3171.800109.1I320I320-E327 HydrophobicContact CG2-CB 3.74Å; I320-E327 HydrophobicContact CG2-CG 4.14Å
328I90.4Very high88.5Confident31 Ų3168.6 Ų68.616%0.15937%0.374CS..EExtended strand (participates in β ladder)trans-119.8132.8-177.6-47.3-178.5000109.9T284 K321 Y323 E326 M330T284-I328 HydrophobicContact CG2-CB 4.09Å; T284-I328 HydrophobicContact CG2-CG1 3.82Å; T284-I328 HydrophobicContact CG2-CG2 3.87Å; K321-I328 PolarHBondContact N-O 3.28Å; K321-I328 PolarHBondContact O-N 2.85Å; Y323-I328 HydrophobicContact CD2-CB 4.32Å; Y323-I328 HydrophobicContact CD2-CD1 4.24Å; Y323-I328 HydrophobicContact CD2-CG1 4.48Å; Y323-I328 HydrophobicContact CG-CD1 4.5Å; E326-I328 HydrophobicContact CB-CG1 4.32Å; I328-M330 HydrophobicContact CG2-CE 3.65Å; I328-M330 HydrophobicContact CG2-SD 4.12Å
329I91Very high88.7Confident5 Ų568.2 Ų68.23%0.02637%0.37CS..EExtended strand (participates in β ladder)trans-108.1130.5174.3-62.6162.5000107.3G282 A283 L291 A318 I320 F331G282-I329 CarbonylContact C-O 3.53Å; G282-I329 WeakPolarHBondContact CA-O 3.29Å; A283-I329 PolarHBondContact N-O 2.73Å; A283-I329 PolarHBondContact O-N 3.27Å; L291-I329 HydrophobicContact CB-CD1 4.06Å; L291-I329 HydrophobicContact CD1-CD1 3.18Å; L291-I329 HydrophobicContact CG-CD1 3.53Å; A318-I329 HydrophobicContact CB-CG2 3.44Å; A318-I329 VanDerWaalsContact CB-CG2 3.44Å; I320-I329 HydrophobicContact CB-CG1 4.27Å; I320-I329 HydrophobicContact CG1-CD1 3.77Å; I320-I329 HydrophobicContact CG1-CG1 3.66Å; I329-F331 HydrophobicContact CG2-CD1 4.3Å; I329-F331 HydrophobicContact CG2-CE1 3.75Å; I329-F331 HydrophobicContact CG2-CE2 4.32Å; I329-F331 HydrophobicContact CG2-CZ 3.76Å
330M92.9Very high88.9Confident89 Ų8965.7 Ų65.744%0.43835%0.351SS..EExtended strand (participates in β ladder)trans-110.4120.4177.4-64.3-63.1-173.200109.2A318 I328A318-M330 WeakPolarHBondContact CB-O 3.2Å; I328-M330 HydrophobicContact CG2-CE 3.65Å; I328-M330 HydrophobicContact CG2-SD 4.12Å
331F93.4Very high89.1Confident4 Ų465.8 Ų65.82%0.01835%0.349CS..EExtended strand (participates in β ladder)trans-95.1-47.3171.9-51.3-73.3000110.2I280 M281 A283 L291 V293 Q316 A318 I329 H333I280-F331 HydrophobicContact CG2-CD2 3.94Å; M281-F331 PolarHBondContact O-N 3.37Å; A283-F331 HydrophobicContact CB-CE2 3.55Å; A283-F331 HydrophobicContact CB-CZ 3.97Å; L291-F331 HydrophobicContact CB-CE1 4.17Å; L291-F331 HydrophobicContact CB-CZ 4.04Å; L291-F331 WeakPolarHBondContact O-CE1 2.97Å; V293-F331 HydrophobicContact CG2-CD2 4.29Å; V293-F331 HydrophobicContact CG2-CE1 4.25Å; V293-F331 HydrophobicContact CG2-CE2 3.66Å; V293-F331 HydrophobicContact CG2-CZ 3.65Å; Q316-F331 PolarHBondContact NE2-O 3.32Å; A318-F331 HydrophobicContact CB-CD1 3.65Å; A318-F331 HydrophobicContact CB-CE1 3.83Å; I329-F331 HydrophobicContact CG2-CD1 4.3Å; I329-F331 HydrophobicContact CG2-CE1 3.75Å; I329-F331 HydrophobicContact CG2-CE2 4.32Å; I329-F331 HydrophobicContact CG2-CZ 3.76Å; F331-H333 HydrophobicContact CB-CB 4.27Å; F331-H333 PolarHBondContact O-N 2.91Å
332S93.5Very high89.1Confident72 Ų7265 Ų6550%0.50335%0.346SS..EExtended strand (participates in β ladder)trans4842-169.6-61.40000112I280 M281I280-S332 WeakPolarHBondContact O-CA 3.5Å; I280-S332 PolarHBondContact O-N 3.29Å; M281-S332 PolarHBondContact O-N 3.02Å
333H96.3Very high88.9Confident32 Ų3262.4 Ų62.415%0.14834%0.335CS..EExtended strand (participates in β ladder)trans-87.5117.6-176.9-178.976.7000109.8E279 I280 Y295 S314 F331E279-H333 CarbonylContact C-O 3.55Å; E279-H333 WeakPolarHBondContact CA-O 3.47Å; E279-H333 WeakPolarHBondContact CB-O 3.35Å; I280-H333 HydrophobicContact CB-CB 4.37Å; I280-H333 PolarHBondContact N-O 3.48Å; I280-H333 PolarHBondContact O-N 3.02Å; Y295-H333 AromaticContact CE1-CD2 3.79Å; Y295-H333 AromaticContact CE1-NE2 3.6Å; S314-H333 PolarHBondContact O-CE1 3.19Å; F331-H333 HydrophobicContact CB-CB 4.27Å; F331-H333 PolarHBondContact O-N 2.91Å
334P96.6Very high88.5Confident95 Ų9560.8 Ų60.862%0.61733%0.332SS*.EExtended strand (participates in β ladder)trans-71.6140.5-177.730-34.7000111.2G278G278-P334 WeakPolarHBondContact O-CA 3.45Å
335I95.6Very high87.6Confident5 Ų564.4 Ų64.43%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-133.5142.2174.460.9177.6000109.7G278 I280 Y295 F337 L360 L453G278-I335 PolarHBondContact N-O 3.38Å; G278-I335 PolarHBondContact O-N 3.37Å; G278-I335 VanDerWaalsContact O-O 3.1Å; I280-I335 HydrophobicContact CD1-CG2 4.25Å; I280-I335 HydrophobicContact CG1-CD1 4.23Å; I280-I335 HydrophobicContact CG1-CG2 4.14Å; Y295-I335 HydrophobicContact CD1-CG2 4.38Å; Y295-I335 HydrophobicContact CE1-CG2 3.76Å; Y295-I335 HydrophobicContact CE2-CG2 4.04Å; I335-F337 HydrophobicContact CB-CE2 4.49Å; I335-F337 HydrophobicContact CB-CZ 4.46Å; I335-F337 HydrophobicContact CD1-CE2 4.02Å; I335-F337 HydrophobicContact CD1-CZ 4.42Å; I335-F337 HydrophobicContact CG1-CE2 4.43Å; I335-L360 HydrophobicContact CD1-CD2 4.21Å; I335-L453 HydrophobicContact CD1-CD2 3.9Å; I335-L453 HydrophobicContact CG1-CD2 4.39Å
336E95.5Very high86.4Confident99 Ų9960.5 Ų60.546%0.46332%0.319SS..EExtended strand (participates in β ladder)trans-139.3137.5178.553.4169.4-162.600111I276 L310I276-E336 CarbonylContact O-C 3.41Å; I276-E336 VanDerWaalsContact O-CA 3.29Å; I276-E336 WeakPolarHBondContact O-CA 3.48Å; L310-E336 HydrophobicContact CD1-CG 4.11Å
337F95.8Very high85.1Confident2 Ų258.8 Ų58.81%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-134.9125.9177.5-53.2-64.3000109.7F275 I276 Y295 L297 L310 I335 L339 L360F275-F337 WeakPolarHBondContact CA-O 3.38Å; I276-F337 HydrophobicContact CB-CB 4.44Å; I276-F337 HydrophobicContact CB-CD2 4.37Å; I276-F337 PolarHBondContact N-O 3.07Å; I276-F337 PolarHBondContact O-N 2.84Å; Y295-F337 HydrophobicContact CD2-CZ 4.29Å; Y295-F337 HydrophobicContact CE2-CE1 4.34Å; Y295-F337 HydrophobicContact CE2-CZ 4.19Å; L297-F337 HydrophobicContact CB-CD1 4.48Å; L297-F337 HydrophobicContact CB-CE1 3.99Å; L297-F337 HydrophobicContact CB-CZ 4.29Å; L297-F337 HydrophobicContact CD2-CB 4.12Å; L297-F337 HydrophobicContact CD2-CD1 3.48Å; L297-F337 VanDerWaalsContact CD2-CD1 3.48Å; L297-F337 HydrophobicContact CD2-CD2 4.07Å; L297-F337 HydrophobicContact CD2-CE1 3.8Å; L297-F337 HydrophobicContact CD2-CE2 4.36Å; L297-F337 HydrophobicContact CD2-CG 3.62Å; L297-F337 HydrophobicContact CD2-CZ 4.24Å; L310-F337 VanDerWaalsContact O-CE1 3.23Å; L310-F337 WeakPolarHBondContact O-CE1 3.3Å; I335-F337 HydrophobicContact CB-CE2 4.49Å; I335-F337 HydrophobicContact CB-CZ 4.46Å; I335-F337 HydrophobicContact CD1-CE2 4.02Å; I335-F337 HydrophobicContact CD1-CZ 4.42Å; I335-F337 HydrophobicContact CG1-CE2 4.43Å; F337-L339 HydrophobicContact CB-CD1 4.38Å; F337-L339 HydrophobicContact CB-CD2 4.32Å; F337-L339 HydrophobicContact CB-CG 4.14Å; F337-L360 HydrophobicContact CE2-CD1 4.31Å; F337-L360 HydrophobicContact CE2-CD2 4.11Å; F337-L360 HydrophobicContact CZ-CD1 3.82Å; F337-L360 HydrophobicContact CZ-CD2 4.36Å
338D94.3Very high83.3Confident25 Ų2558.8 Ų58.813%0.13432%0.316CS..EExtended strand (participates in β ladder)trans-116.2104.1172.4-174.65.9000109.2R273 F275 A305 Y306R273-D338 IonicContact CZ-OD1 3.71Å; R273-D338 IonicContact CZ-OD2 3.01Å; R273-D338 IonicContact NE-OD1 2.87Å; R273-D338 PolarHBondContact NE-OD1 3.38Å; R273-D338 IonicContact NE-OD2 3.91Å; R273-D338 PolarHBondContact NE-OD2 2.86Å; R273-D338 IonicContact NH2-OD1 2.83Å; R273-D338 IonicContact NH2-OD2 3.98Å; R273-D338 PolarHBondContact NH2-OD2 2.96Å; F275-D338 HydrophobicContact CD2-CB 4.13Å; A305-D338 WeakPolarHBondContact CA-O 3.43Å; Y306-D338 PolarHBondContact N-O 3.26Å
339L94.4Very high81.5Confident1 Ų165.3 Ų65.31%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-120142.3-168.8-50.1177.3000110.4R273 L274 L297 L299 W303 K304 A305 L311 F337 P358 L383R273-L339 CarbonylContact C-O 3.58Å; R273-L339 VanDerWaalsContact CA-O 3.29Å; R273-L339 WeakPolarHBondContact CA-O 3.34Å; L274-L339 HydrophobicContact CB-CB 4.38Å; L274-L339 HydrophobicContact CD2-CD1 4.42Å; L274-L339 PolarHBondContact N-O 3.12Å; L274-L339 PolarHBondContact O-N 3.39Å; L297-L339 HydrophobicContact CD2-CD1 3.9Å; L297-L339 HydrophobicContact CD2-CD2 4.15Å; L299-L339 HydrophobicContact CD1-CD2 4.37Å; L299-L339 HydrophobicContact CD2-CD1 4.08Å; L299-L339 HydrophobicContact CD2-CD2 3.81Å; W303-L339 HydrophobicContact CE3-CB 3.92Å; W303-L339 HydrophobicContact CE3-CD1 4.41Å; W303-L339 HydrophobicContact CZ3-CB 3.93Å; W303-L339 HydrophobicContact CZ3-CD1 4.35Å; K304-L339 CarbonylContact O-C 3.58Å; K304-L339 WeakPolarHBondContact O-CA 3.44Å; A305-L339 HydrophobicContact CB-CD2 3.92Å; L311-L339 HydrophobicContact CD2-CD2 4.19Å; F337-L339 HydrophobicContact CB-CD1 4.38Å; F337-L339 HydrophobicContact CB-CD2 4.32Å; F337-L339 HydrophobicContact CB-CG 4.14Å; L339-P358 HydrophobicContact CD1-CB 4.42Å; L339-P358 HydrophobicContact CD1-CG 4.36Å; L339-L383 HydrophobicContact CD1-CD1 3.7Å
340T91.5Very high79.6Confident34 Ų3470.5 Ų70.521%0.20938%0.383CS..EExtended strand (participates in β ladder)trans-123.1127.6174.6-60.50000109.9F272 K304 K342F272-T340 WeakPolarHBondContact O-CA 3.26Å; K304-T340 PolarHBondContact N-O 3.46Å; K304-T340 PolarHBondContact O-N 3.32Å; T340-K342 HydrophobicContact CG2-CG 4.21Å
341Y89.2Confident77.6Confident48 Ų4874 Ų7419%0.18840%0.396CS..EExtended strand (participates in β ladder)trans-102.2128172.2178.1-105.4000110.5S271 F272 N302 W303 P343S271-Y341 VanDerWaalsContact CA-O 3.28Å; S271-Y341 WeakPolarHBondContact CA-O 3.34Å; S271-Y341 VanDerWaalsContact CB-O 3.28Å; S271-Y341 WeakPolarHBondContact CB-O 3.37Å; F272-Y341 PolarHBondContact N-O 3.27Å; F272-Y341 PolarHBondContact O-N 2.76Å; N302-Y341 HydrophobicContact CB-CD2 4Å; N302-Y341 HydrophobicContact CB-CE2 3.58Å; N302-Y341 WeakPolarHBondContact O-CA 3.33Å; W303-Y341 AromaticContact CD1-CD2 3.65Å; W303-Y341 AromaticContact CD2-CD2 3.93Å; W303-Y341 HydrophobicContact CD2-CD2 3.93Å; W303-Y341 HydrophobicContact CD2-CG 4.4Å; W303-Y341 AromaticContact CE2-CD2 3.55Å; W303-Y341 HydrophobicContact CG-CD2 4Å; W303-Y341 HydrophobicContact CZ2-CD2 4.15Å; W303-Y341 HydrophobicContact CZ2-CG 4.27Å; W303-Y341 AromaticContact NE1-CD2 3.35Å; W303-Y341 AromaticContact NE1-CE2 3.78Å; Y341-P343 HydrophobicContact CE1-CB 3.95Å; Y341-P343 HydrophobicContact CE1-CG 4.23Å
342K83.9Confident75.3Confident103 Ų10377.1 Ų77.145%0.44843%0.429SS..  trans-124.9102.6175.1-66.7-171.3-176.8177.60109.9N268 N302 T340 E344N268-K342 VanDerWaalsContact ND2-CE 3.31Å; N268-K342 WeakPolarHBondContact ND2-CE 3.46Å; N268-K342 PolarHBondContact ND2-NZ 3.16Å; N302-K342 VanDerWaalsContact CB-O 3.24Å; N302-K342 WeakPolarHBondContact CB-O 3.45Å; N302-K342 PolarHBondContact O-N 2.83Å; T340-K342 HydrophobicContact CG2-CG 4.21Å; K342-E344 PolarHBondContact O-N 2.83Å
343P74.9Confident73.2Confident59 Ų5977.9 Ų77.938%0.38343%0.434SS..  trans-61.9132.6176.427.4-32.4000110.1Q270 Y341Q270-P343 WeakPolarHBondContact O-CD 3.41Å; Y341-P343 HydrophobicContact CE1-CB 3.95Å; Y341-P343 HydrophobicContact CE1-CG 4.23Å
344E67.3Low71.2Confident102 Ų10282.4 Ų82.448%0.47746%0.463SS..  trans-76.3137.4170.7-161.2164.7-156.900109.3K342 S346 I347K342-E344 PolarHBondContact O-N 2.83Å; E344-S346 VanDerWaalsContact C-N 3.28Å; E344-S346 PolarHBondContact O-N 2.99Å; E344-I347 WeakPolarHBondContact O-CG1 3.23Å
345I60.4Low69.5Low150 Ų15080.5 Ų80.577%0.76945%0.453SS*.SBendtrans-71.8-26.7-174.1-62.5168.8000111.1I347I345-I347 VanDerWaalsContact C-N 3.3Å; I345-I347 PolarHBondContact O-N 2.64Å; I345-I347 VanDerWaalsContact O-N 3.07Å
346S54.2Low68.6Low92 Ų9285.2 Ų85.264%0.64348%0.477SS*.  trans-85.963.2-178.758.10000111.8E344 D348E344-S346 VanDerWaalsContact C-N 3.28Å; E344-S346 PolarHBondContact O-N 2.99Å; S346-D348 PolarHBondContact O-N 3.12Å
347I51.4Low68.3Low87 Ų8782 Ų8245%0.44646%0.46SS..  trans-89.4108.7168.9-59.8161.2000106.9E344 I345 L349E344-I347 WeakPolarHBondContact O-CG1 3.23Å; I345-I347 VanDerWaalsContact C-N 3.3Å; I345-I347 PolarHBondContact O-N 2.64Å; I345-I347 VanDerWaalsContact O-N 3.07Å; I347-L349 PolarHBondContact O-N 3.11Å
348D47.3Very low68.1Low100 Ų10081.9 Ų81.954%0.53546%0.46SS..  trans-61.7102.4167.7-166.4-12.2000108S346 T350 K351S346-D348 PolarHBondContact O-N 3.12Å; D348-T350 PolarHBondContact O-N 3.14Å; D348-T350 WeakPolarHBondContact OD1-CG2 3.3Å; D348-T350 PolarHBondContact OD1-OG1 2.87Å; D348-T350 PolarHBondContact OD2-OG1 2.96Å; D348-K351 PolarHBondContact O-N 2.87Å
349L51.7Low68.1Low168 Ų16880.8 Ų80.888%0.8845%0.454SS*.THydrogen-bonded Turntrans-57.2-11.6-176.1-72.5165.2000113.4I347I347-L349 PolarHBondContact O-N 3.11Å
350T52.6Low68.2Low114 Ų11480.8 Ų80.870%0.69945%0.454SS*.THydrogen-bonded Turntrans-73.3-28.1177.362.40000113.1D348D348-T350 PolarHBondContact O-N 3.14Å; D348-T350 WeakPolarHBondContact OD1-CG2 3.3Å; D348-T350 PolarHBondContact OD1-OG1 2.87Å; D348-T350 PolarHBondContact OD2-OG1 2.96Å
351K50.4Low68.4Low163 Ų16379.3 Ų79.371%0.70945%0.445SS*.SBendtrans-96105.9174.1-65.4-175.5-178-1790107.7D348 S353D348-K351 PolarHBondContact O-N 2.87Å; K351-S353 PolarHBondContact O-N 2.91Å
352G44.2Very low68.7Low69 Ų6977.1 Ų77.171%0.71144%0.436SS*.  trans-48.1111.7174.400000109.5V354G352-V354 VanDerWaalsContact C-N 3.33Å; G352-V354 PolarHBondContact O-N 2.99Å
353S50.4Low69.3Low87 Ų8773.4 Ų73.461%0.60842%0.42SS*.  trans-7392.4-172.572.80000108.4K351 S355K351-S353 PolarHBondContact O-N 2.91Å; S353-S355 VanDerWaalsContact C-N 3.26Å; S353-S355 PolarHBondContact O-N 3.25Å
354V52.9Low70.2Confident127 Ų12770.6 Ų70.677%0.7740%0.402SS*.  trans-7094.8166.7-174.20000105.4G352 I356G352-V354 VanDerWaalsContact C-N 3.33Å; G352-V354 PolarHBondContact O-N 2.99Å; V354-I356 VanDerWaalsContact C-N 3.32Å; V354-I356 PolarHBondContact O-N 3.13Å
355S62.6Low71.5Confident56 Ų5666.4 Ų66.439%0.39238%0.382SS..  trans-67.895.4176.2-176.20000108.2S353S353-S355 VanDerWaalsContact C-N 3.26Å; S353-S355 PolarHBondContact O-N 3.25Å
356I75.2Confident73.1Confident104 Ų10459.3 Ų59.353%0.53335%0.346SS..  trans-63.8134.9173.6-55.1172000107.7P300 V354P300-I356 HydrophobicContact CB-CB 3.86Å; P300-I356 HydrophobicContact CB-CG2 3.85Å; P300-I356 HydrophobicContact CG-CB 4.14Å; P300-I356 HydrophobicContact CG-CG2 3.72Å; P300-I356 WeakPolarHBondContact CG-O 3.4Å; V354-I356 VanDerWaalsContact C-N 3.32Å; V354-I356 PolarHBondContact O-N 3.13Å
357W88.8Confident74.9Confident31 Ų3157.7 Ų57.712%0.11733%0.33CS..  trans-105.4147.7-178.2-159.5-103.1000110.6F272 L274 P300 W303 T359 L383 R385F272-W357 AromaticContact CE1-CH2 3.75Å; F272-W357 HydrophobicContact CE1-CH2 3.75Å; F272-W357 HydrophobicContact CE1-CZ2 4.25Å; L274-W357 HydrophobicContact CD2-CZ2 4.13Å; P300-W357 VanDerWaalsContact CG-C 3.44Å; W303-W357 HydrophobicContact CH2-CD2 4.45Å; W303-W357 HydrophobicContact CH2-CE3 4.41Å; W303-W357 AromaticContact CH2-CH2 3.67Å; W303-W357 HydrophobicContact CH2-CH2 3.67Å; W303-W357 AromaticContact CH2-CZ2 3.68Å; W303-W357 HydrophobicContact CH2-CZ2 3.68Å; W303-W357 HydrophobicContact CH2-CZ3 4.06Å; W303-W357 AromaticContact CZ2-CD2 3.91Å; W303-W357 HydrophobicContact CZ2-CD2 3.91Å; W303-W357 AromaticContact CZ2-CE3 3.63Å; W303-W357 HydrophobicContact CZ2-CE3 3.63Å; W303-W357 AromaticContact CZ2-CH2 3.62Å; W303-W357 HydrophobicContact CZ2-CH2 3.62Å; W303-W357 AromaticContact CZ2-CZ2 3.89Å; W303-W357 HydrophobicContact CZ2-CZ2 3.89Å; W303-W357 AromaticContact CZ2-CZ3 3.48Å; W303-W357 HydrophobicContact CZ2-CZ3 3.48Å; W303-W357 VanDerWaalsContact CZ2-CZ3 3.48Å; W357-T359 PolarHBondContact O-N 3.08Å; W357-T359 PolarHBondContact O-OG1 3.02Å; W357-L383 PolarHBondContact NE1-O 2.97Å; W357-R385 HydrophobicContact CD2-CG 4.08Å; W357-R385 HydrophobicContact CG-CG 4.3Å; W357-R385 HydrophobicContact CZ2-CB 4.48Å; W357-R385 HydrophobicContact CZ2-CG 4.2Å
358P93.2Very high76.6Confident0 Ų055.3 Ų55.30%032%0.318CS..  trans-53.9133.1178.9-25.733.3000112.5L297 E298 L299 P300 W303 L339 L383L297-P358 HydrophobicContact CD1-CB 3.97Å; E298-P358 WeakPolarHBondContact O-CA 3.42Å; L299-P358 HydrophobicContact CD2-CB 4.16Å; L299-P358 HydrophobicContact CD2-CG 4.34Å; P300-P358 HydrophobicContact CG-CG 4.46Å; W303-P358 HydrophobicContact CD2-CG 3.46Å; W303-P358 VanDerWaalsContact CD2-CG 3.46Å; W303-P358 VanDerWaalsContact CE2-CD 3.43Å; W303-P358 HydrophobicContact CE3-CG 3.69Å; W303-P358 HydrophobicContact CG-CG 3.93Å; W303-P358 HydrophobicContact CH2-CG 3.98Å; W303-P358 VanDerWaalsContact CZ2-CD 3.49Å; W303-P358 HydrophobicContact CZ2-CG 3.83Å; W303-P358 HydrophobicContact CZ3-CG 3.94Å; L339-P358 HydrophobicContact CD1-CB 4.42Å; L339-P358 HydrophobicContact CD1-CG 4.36Å; P358-L383 HydrophobicContact CB-CD1 3.86Å; P358-L383 HydrophobicContact CB-CG 4.32Å; P358-L383 PolarHBondContact O-N 2.78Å
359T93.8Very high78.4Confident2 Ų259.8 Ų59.81%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-120.6125.3-174.1-58.40000109.2L297 E298 W357 Y361 F380 K426L297-T359 WeakPolarHBondContact CD1-O 3.42Å; E298-T359 PolarHBondContact N-O 2.78Å; E298-T359 PolarHBondContact O-N 3.18Å; W357-T359 PolarHBondContact O-N 3.08Å; W357-T359 PolarHBondContact O-OG1 3.02Å; T359-Y361 HydrophobicContact CG2-CD2 4.26Å; T359-Y361 HydrophobicContact CG2-CE1 4.17Å; T359-Y361 HydrophobicContact CG2-CE2 3.72Å; T359-Y361 WeakPolarHBondContact O-CD2 3.13Å; T359-F380 HydrophobicContact CG2-CB 4.08Å; T359-F380 HydrophobicContact CG2-CD2 3.87Å; T359-F380 HydrophobicContact CG2-CG 4.39Å; T359-K426 HydrophobicContact CG2-CD 4.21Å; T359-K426 PolarHBondContact OG1-NZ 2.89Å
360L95.6Very high80.1Confident0 Ų060.1 Ų60.10%032%0.323CS..EExtended strand (participates in β ladder)trans-93.8120.7176.5-176.460.3000109Y295 L297 I335 F337 F362 F380 T381 L383Y295-L360 HydrophobicContact CD2-CD1 4.14Å; L297-L360 HydrophobicContact CB-CD1 4.04Å; L297-L360 HydrophobicContact CD1-CB 4.24Å; I335-L360 HydrophobicContact CD1-CD2 4.21Å; F337-L360 HydrophobicContact CE2-CD1 4.31Å; F337-L360 HydrophobicContact CE2-CD2 4.11Å; F337-L360 HydrophobicContact CZ-CD1 3.82Å; F337-L360 HydrophobicContact CZ-CD2 4.36Å; L360-F362 HydrophobicContact CB-CE2 4.44Å; L360-F362 HydrophobicContact CB-CZ 4.41Å; L360-F362 HydrophobicContact CD2-CE1 3.92Å; L360-F362 HydrophobicContact CD2-CE2 4.11Å; L360-F362 HydrophobicContact CD2-CZ 3.32Å; L360-F362 HydrophobicContact CG-CE1 3.97Å; L360-F362 HydrophobicContact CG-CE2 3.88Å; L360-F362 HydrophobicContact CG-CZ 3.45Å; L360-F362 VanDerWaalsContact CG-CZ 3.45Å; L360-F380 CarbonylContact O-C 3.54Å; L360-F380 VanDerWaalsContact O-CA 3.22Å; L360-F380 WeakPolarHBondContact O-CA 3.28Å; L360-T381 HydrophobicContact CB-CG2 4.31Å; L360-T381 PolarHBondContact N-O 3.24Å; L360-T381 PolarHBondContact O-N 3.03Å; L360-L383 HydrophobicContact CB-CD2 4.21Å; L360-L383 HydrophobicContact CD2-CD2 4.47Å
361Y95.7Very high81.7Confident4 Ų460.1 Ų60.12%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-102.1151.2177.5-61.9-92.9000110.1Y295 Y296 E298 T359 G379 F380 T423 A425 K426Y295-Y361 CarbonylContact C-O 3.59Å; Y295-Y361 VanDerWaalsContact CA-O 3.23Å; Y295-Y361 WeakPolarHBondContact CA-O 3.24Å; Y296-Y361 HydrophobicContact CD1-CD2 4.3Å; Y296-Y361 PolarHBondContact N-O 3.43Å; Y296-Y361 PolarHBondContact O-N 2.92Å; E298-Y361 HydrophobicContact CB-CD2 4.17Å; E298-Y361 HydrophobicContact CB-CE2 3.59Å; E298-Y361 HydrophobicContact CG-CE2 4.48Å; E298-Y361 VanDerWaalsContact OE2-CE2 3.27Å; E298-Y361 WeakPolarHBondContact OE2-CE2 3.42Å; E298-Y361 PolarHBondContact OE2-OH 3.42Å; T359-Y361 HydrophobicContact CG2-CD2 4.26Å; T359-Y361 HydrophobicContact CG2-CE1 4.17Å; T359-Y361 HydrophobicContact CG2-CE2 3.72Å; T359-Y361 WeakPolarHBondContact O-CD2 3.13Å; Y361-G379 CarbonylContact C-O 3.36Å; Y361-G379 WeakPolarHBondContact CA-O 3.39Å; Y361-F380 HydrophobicContact CD1-CB 3.54Å; Y361-F380 HydrophobicContact CD1-CG 4.41Å; Y361-F380 HydrophobicContact CE1-CB 3.83Å; Y361-F380 HydrophobicContact CE1-CG 4.27Å; Y361-F380 HydrophobicContact CG-CB 4.22Å; Y361-T423 HydrophobicContact CE2-CG2 4.19Å; Y361-A425 HydrophobicContact CD1-CB 4.33Å; Y361-K426 HydrophobicContact CE1-CB 3.92Å
362F96.2Very high83.5Confident2 Ų255.2 Ų55.21%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-133.1134.3179.4-57.3-80.7000109.6I280 V293 Q294 L360 Y378 G379 T381 V394 I449 L451I280-F362 HydrophobicContact CD1-CE1 4.09Å; I280-F362 HydrophobicContact CG1-CE1 4.44Å; V293-F362 HydrophobicContact CG1-CB 4.08Å; V293-F362 HydrophobicContact CG1-CD1 3.68Å; V293-F362 HydrophobicContact CG1-CG 4.33Å; Q294-F362 CarbonylContact O-C 3.49Å; Q294-F362 WeakPolarHBondContact O-CA 3.31Å; L360-F362 HydrophobicContact CB-CE2 4.44Å; L360-F362 HydrophobicContact CB-CZ 4.41Å; L360-F362 HydrophobicContact CD2-CE1 3.92Å; L360-F362 HydrophobicContact CD2-CE2 4.11Å; L360-F362 HydrophobicContact CD2-CZ 3.32Å; L360-F362 HydrophobicContact CG-CE1 3.97Å; L360-F362 HydrophobicContact CG-CE2 3.88Å; L360-F362 HydrophobicContact CG-CZ 3.45Å; L360-F362 VanDerWaalsContact CG-CZ 3.45Å; F362-Y378 CarbonylContact O-C 3.41Å; F362-Y378 VanDerWaalsContact O-CA 3.27Å; F362-Y378 WeakPolarHBondContact O-CA 3.35Å; F362-G379 PolarHBondContact N-O 3.31Å; F362-G379 PolarHBondContact O-N 3.22Å; F362-T381 HydrophobicContact CE2-CG2 4.08Å; F362-V394 HydrophobicContact CD2-CG1 4.24Å; F362-V394 HydrophobicContact CE2-CG2 4.11Å; F362-I449 HydrophobicContact CB-CD1 3.65Å; F362-I449 HydrophobicContact CD1-CD1 4.34Å; F362-I449 HydrophobicContact CD2-CD1 4.49Å; F362-I449 HydrophobicContact CG-CD1 3.92Å; F362-L451 HydrophobicContact CE1-CD1 4.46Å; F362-L451 HydrophobicContact CE1-CD2 3.88Å; F362-L451 HydrophobicContact CE2-CD1 3.75Å; F362-L451 HydrophobicContact CZ-CD1 3.41Å; F362-L451 VanDerWaalsContact CZ-CD1 3.41Å; F362-L451 HydrophobicContact CZ-CD2 3.63Å; F362-L451 HydrophobicContact CZ-CG 4.1Å
363E95.6Very high85.6Confident24 Ų2454 Ų5411%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-115.3115.5162.7-175.6176.3175.600108.3Q294 Q365 T375 Y378Q294-E363 HydrophobicContact CB-CB 4.42Å; Q294-E363 PolarHBondContact N-O 2.98Å; Q294-E363 PolarHBondContact O-N 3.25Å; E363-Q365 VanDerWaalsContact CD-NE2 3.35Å; E363-Q365 HydrophobicContact CG-CG 3.95Å; E363-Q365 PolarHBondContact OE1-NE2 3.36Å; E363-T375 HydrophobicContact CG-CG2 3.94Å; E363-T375 WeakPolarHBondContact OE1-CG2 3.06Å; E363-T375 PolarHBondContact OE1-OG1 3.28Å; E363-Y378 HydrophobicContact CB-CD1 3.96Å; E363-Y378 HydrophobicContact CB-CE1 3.88Å; E363-Y378 VanDerWaalsContact CD-CE1 3.41Å; E363-Y378 HydrophobicContact CG-CD1 3.9Å; E363-Y378 HydrophobicContact CG-CE1 3.46Å; E363-Y378 VanDerWaalsContact CG-CE1 3.46Å; E363-Y378 PolarHBondContact OE1-OH 3.43Å
364V95.6Very high87.6Confident0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-90.9125.4174.8-170.60000108F286 L291 V293 E376 G377 I449F286-V364 HydrophobicContact CD1-CG1 4.3Å; F286-V364 HydrophobicContact CE1-CB 4.05Å; F286-V364 HydrophobicContact CE1-CG1 3.99Å; F286-V364 HydrophobicContact CE1-CG2 4.11Å; F286-V364 HydrophobicContact CE2-CG1 4.44Å; F286-V364 HydrophobicContact CZ-CB 4.18Å; F286-V364 HydrophobicContact CZ-CG1 4.07Å; F286-V364 HydrophobicContact CZ-CG2 3.79Å; L291-V364 HydrophobicContact CB-CG1 4.4Å; L291-V364 HydrophobicContact CD1-CG1 3.99Å; L291-V364 HydrophobicContact CD2-CG1 4.32Å; L291-V364 HydrophobicContact CG-CG1 4.49Å; V293-V364 HydrophobicContact CG2-CG2 4.26Å; V364-E376 HydrophobicContact CB-CB 4.26Å; V364-E376 HydrophobicContact CG1-CB 4.09Å; V364-E376 WeakPolarHBondContact O-CA 3.18Å; V364-E376 PolarHBondContact O-N 3.15Å; V364-G377 PolarHBondContact N-O 3.17Å; V364-G377 PolarHBondContact O-N 3.35Å; V364-I449 HydrophobicContact CG2-CD1 3.37Å; V364-I449 HydrophobicContact CG2-CG1 3.92Å
365Q94Very high89.4Confident14 Ų1444.1 Ų44.17%0.06522%0.216CC..EExtended strand (participates in β ladder)trans-125.1144.9178-65.3-179.1-30.800110L291 Y292 E363 R374L291-Q365 CarbonylContact C-O 3.55Å; L291-Q365 VanDerWaalsContact CA-O 3.29Å; L291-Q365 WeakPolarHBondContact CA-O 3.22Å; Y292-Q365 HydrophobicContact CD1-CB 4.18Å; Y292-Q365 WeakPolarHBondContact CD1-O 3.48Å; Y292-Q365 HydrophobicContact CE1-CB 3.6Å; Y292-Q365 HydrophobicContact CE2-CB 4.16Å; Y292-Q365 PolarHBondContact N-O 3.05Å; Y292-Q365 PolarHBondContact O-N 2.9Å; Y292-Q365 PolarHBondContact OH-OE1 2.66Å; E363-Q365 VanDerWaalsContact CD-NE2 3.35Å; E363-Q365 HydrophobicContact CG-CG 3.95Å; E363-Q365 PolarHBondContact OE1-NE2 3.36Å; Q365-R374 CarbonylContact C-O 3.57Å; Q365-R374 WeakPolarHBondContact CA-O 3.31Å
366S93.3Very high90.9Very high1 Ų141.5 Ų41.51%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-103.8144.1170.968.30000110.2G290 S373 R374 E376G290-S366 CarbonylContact O-C 3.58Å; G290-S366 WeakPolarHBondContact O-CA 3.23Å; S366-S373 VanDerWaalsContact O-CA 3.31Å; S366-S373 WeakPolarHBondContact O-CA 3.46Å; S366-R374 PolarHBondContact N-O 2.92Å; S366-R374 PolarHBondContact O-N 3.38Å; S366-R374 VanDerWaalsContact O-N 3.1Å; S366-E376 PolarHBondContact OG-OE1 3.01Å
367L91.9Very high91.8Very high59 Ų5936.5 Ų36.531%0.30917%0.172SC..EExtended strand (participates in β ladder)trans-122122.5168.1-171.470.9000109.5G290 Y292 I317G290-L367 PolarHBondContact O-N 2.8Å; Y292-L367 HydrophobicContact CE1-CB 4.43Å; I317-L367 HydrophobicContact CD1-CB 4.14Å; I317-L367 HydrophobicContact CD1-CD2 3.56Å; I317-L367 HydrophobicContact CD1-CG 4.49Å
368D87.1Confident92.1Very high36 Ų3635.1 Ų35.119%0.19317%0.167CC..  trans-96.6178.5178.57123.2000113.6W370 T371 R372 R374D368-W370 PolarHBondContact O-N 3.39Å; D368-W370 WeakPolarHBondContact OD1-CA 3.48Å; D368-W370 PolarHBondContact OD1-N 2.63Å; D368-T371 WeakPolarHBondContact O-CA 3.32Å; D368-T371 PolarHBondContact O-N 3.1Å; D368-T371 PolarHBondContact OD1-N 2.98Å; D368-R372 PolarHBondContact N-O 2.69Å; D368-R372 WeakPolarHBondContact OD1-CB 3.09Å; D368-R372 PolarHBondContact OD1-N 3.36Å; D368-R372 IonicContact OD1-NE 3.51Å; D368-R372 WeakPolarHBondContact OD2-CB 3.16Å; D368-R372 IonicContact OD2-CZ 2.76Å; D368-R372 IonicContact OD2-NE 3.31Å; D368-R372 PolarHBondContact OD2-NE 3.4Å; D368-R372 IonicContact OD2-NH2 3.71Å; D368-R372 PolarHBondContact OD2-NH2 2.63Å; D368-R374 IonicContact OD2-NE 3.68Å; D368-R374 IonicContact OD2-NH2 3.3Å
369F86.6Confident92.2Very high194 Ų19435.2 Ų35.285%0.85117%0.168SC*.THydrogen-bonded Turntrans-61.7-26.2-179.3-174.8-96.9000113.8T371F369-T371 PolarHBondContact O-N 3.1Å
370W86.6Confident92.3Very high176 Ų17638.7 Ų38.767%0.66718%0.183SC*.THydrogen-bonded Turntrans-87.913.4175.2-65.9-79000112.4D368 R372D368-W370 PolarHBondContact O-N 3.39Å; D368-W370 WeakPolarHBondContact OD1-CA 3.48Å; D368-W370 PolarHBondContact OD1-N 2.63Å; W370-R372 HydrophobicContact CB-CG 4.02Å; W370-R372 PolarHBondContact O-N 3.44Å
371T86Confident92.2Very high114 Ų11439.8 Ų39.870%0.69919%0.19SC*.  trans59.521.1-175.965.30000113.7D368 F369 S373D368-T371 WeakPolarHBondContact O-CA 3.32Å; D368-T371 PolarHBondContact O-N 3.1Å; D368-T371 PolarHBondContact OD1-N 2.98Å; F369-T371 PolarHBondContact O-N 3.1Å; T371-S373 PolarHBondContact O-N 3.01Å
372R88Confident92.1Very high59 Ų5942.9 Ų42.922%0.22320%0.204CC..  trans-78.5123.8175.8-55.4175.4-62.2-174.32108.1D368 W370 F412D368-R372 PolarHBondContact N-O 2.69Å; D368-R372 WeakPolarHBondContact OD1-CB 3.09Å; D368-R372 PolarHBondContact OD1-N 3.36Å; D368-R372 IonicContact OD1-NE 3.51Å; D368-R372 WeakPolarHBondContact OD2-CB 3.16Å; D368-R372 IonicContact OD2-CZ 2.76Å; D368-R372 IonicContact OD2-NE 3.31Å; D368-R372 PolarHBondContact OD2-NE 3.4Å; D368-R372 IonicContact OD2-NH2 3.71Å; D368-R372 PolarHBondContact OD2-NH2 2.63Å; W370-R372 HydrophobicContact CB-CG 4.02Å; W370-R372 PolarHBondContact O-N 3.44Å; R372-F412 PolarHBondContact NH1-O 2.87Å
373S88.3Confident92Very high43 Ų4342.9 Ų42.930%0.30120%0.204SC..EExtended strand (participates in β ladder)trans-96.3141174.6-169.20000110.7S366 T371S366-S373 VanDerWaalsContact O-CA 3.31Å; S366-S373 WeakPolarHBondContact O-CA 3.46Å; T371-S373 PolarHBondContact O-N 3.01Å
374R91.7Very high91.9Very high7 Ų742.4 Ų42.43%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-137139.7177-60.8141.3-167.6-84.8-14.5109Q365 S366 D368 E376 R410 F411 T416Q365-R374 CarbonylContact C-O 3.57Å; Q365-R374 WeakPolarHBondContact CA-O 3.31Å; S366-R374 PolarHBondContact N-O 2.92Å; S366-R374 PolarHBondContact O-N 3.38Å; S366-R374 VanDerWaalsContact O-N 3.1Å; D368-R374 IonicContact OD2-NE 3.68Å; D368-R374 IonicContact OD2-NH2 3.3Å; R374-E376 PolarHBondContact O-N 3.07Å; R374-R410 PolarHBondContact NH1-O 3.44Å; R374-R410 PolarHBondContact NH2-O 3.03Å; R374-F411 PolarHBondContact NH1-O 3.26Å; R374-F411 PolarHBondContact NH2-O 2.88Å; R374-T416 HydrophobicContact CB-CG2 3.73Å; R374-T416 HydrophobicContact CG-CG2 4.02Å
375T92.5Very high91.6Very high1 Ų148.9 Ų48.91%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-79.1112.2168.7-58.10000109.8E363 Y378 R410 T416 Q418E363-T375 HydrophobicContact CG-CG2 3.94Å; E363-T375 WeakPolarHBondContact OE1-CG2 3.06Å; E363-T375 PolarHBondContact OE1-OG1 3.28Å; T375-Y378 HydrophobicContact CG2-CD2 4.24Å; T375-Y378 HydrophobicContact CG2-CE1 4.23Å; T375-Y378 HydrophobicContact CG2-CE2 3.57Å; T375-R410 VanDerWaalsContact O-CZ 3.25Å; T375-R410 PolarHBondContact O-NH1 3.03Å; T375-R410 PolarHBondContact O-NH2 3.29Å; T375-T416 PolarHBondContact N-OG1 3.19Å; T375-Q418 WeakPolarHBondContact OG1-CG 3.13Å; T375-Q418 PolarHBondContact OG1-NE2 2.85Å; T375-Q418 VanDerWaalsContact OG1-NE2 3.08Å
376E92.8Very high91.4Very high0 Ų052.4 Ų52.40%025%0.25CS..EExtended strand (participates in β ladder)trans-84.9-24-179.2-69.2-62134.700112.6F286 N288 L291 V364 S366 R374 R410 T446F286-E376 HydrophobicContact CD1-CB 3.82Å; F286-E376 HydrophobicContact CE1-CB 4.27Å; N288-E376 PolarHBondContact ND2-OE1 2.91Å; L291-E376 HydrophobicContact CD2-CB 4.43Å; L291-E376 HydrophobicContact CD2-CG 3.75Å; V364-E376 HydrophobicContact CB-CB 4.26Å; V364-E376 HydrophobicContact CG1-CB 4.09Å; V364-E376 WeakPolarHBondContact O-CA 3.18Å; V364-E376 PolarHBondContact O-N 3.15Å; S366-E376 PolarHBondContact OG-OE1 3.01Å; R374-E376 PolarHBondContact O-N 3.07Å; E376-R410 IonicContact OE1-CZ 2.81Å; E376-R410 IonicContact OE1-NH2 2.84Å; E376-R410 PolarHBondContact OE1-NH2 2.89Å; E376-R410 IonicContact OE2-NH2 3.8Å; E376-R410 PolarHBondContact OE2-NH2 2.82Å; E376-T446 VanDerWaalsContact O-CB 3.31Å; E376-T446 WeakPolarHBondContact O-CB 3.48Å; E376-T446 WeakPolarHBondContact O-CG2 3.43Å; E376-T446 PolarHBondContact O-OG1 3.02Å
377G93.9Very high91.2Very high0 Ų055.3 Ų55.30%027%0.274CS..EExtended strand (participates in β ladder)trans165.9162.1168.400000113.9V364 W397V364-G377 PolarHBondContact N-O 3.17Å; V364-G377 PolarHBondContact O-N 3.35Å; G377-W397 CarbonylContact C-O 3.5Å; G377-W397 VanDerWaalsContact CA-O 3.27Å; G377-W397 WeakPolarHBondContact CA-O 3.16Å
378Y95.7Very high91.3Very high2 Ų254.3 Ų54.31%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-107.8142.1173.2-60.1-81000109.7F362 E363 T375 C396 W397 L419F362-Y378 CarbonylContact O-C 3.41Å; F362-Y378 VanDerWaalsContact O-CA 3.27Å; F362-Y378 WeakPolarHBondContact O-CA 3.35Å; E363-Y378 HydrophobicContact CB-CD1 3.96Å; E363-Y378 HydrophobicContact CB-CE1 3.88Å; E363-Y378 VanDerWaalsContact CD-CE1 3.41Å; E363-Y378 HydrophobicContact CG-CD1 3.9Å; E363-Y378 HydrophobicContact CG-CE1 3.46Å; E363-Y378 VanDerWaalsContact CG-CE1 3.46Å; E363-Y378 PolarHBondContact OE1-OH 3.43Å; T375-Y378 HydrophobicContact CG2-CD2 4.24Å; T375-Y378 HydrophobicContact CG2-CE1 4.23Å; T375-Y378 HydrophobicContact CG2-CE2 3.57Å; Y378-C396 CarbonylContact O-C 3.58Å; Y378-C396 VanDerWaalsContact O-CA 3.23Å; Y378-C396 WeakPolarHBondContact O-CA 3.25Å; Y378-W397 PolarHBondContact N-O 2.83Å; Y378-W397 PolarHBondContact O-N 2.72Å; Y378-L419 HydrophobicContact CD1-CD1 4.16Å; Y378-L419 HydrophobicContact CD2-CD1 3.67Å; Y378-L419 HydrophobicContact CD2-CG 4.02Å; Y378-L419 HydrophobicContact CE1-CB 4.43Å; Y378-L419 HydrophobicContact CE1-CD1 4.31Å; Y378-L419 HydrophobicContact CE2-CB 4.24Å; Y378-L419 HydrophobicContact CE2-CD1 3.83Å; Y378-L419 HydrophobicContact CE2-CG 3.68Å; Y378-L419 HydrophobicContact CG-CD1 3.83Å; Y378-L419 PolarHBondContact OH-N 2.89Å; Y378-L419 VanDerWaalsContact OH-N 3.09Å
379G95.3Very high91.8Very high2 Ų255.8 Ų55.82%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-145.1160.6174.900000110.5Y361 F362Y361-G379 CarbonylContact C-O 3.36Å; Y361-G379 WeakPolarHBondContact CA-O 3.39Å; F362-G379 PolarHBondContact N-O 3.31Å; F362-G379 PolarHBondContact O-N 3.22Å
380F95.2Very high92.3Very high75 Ų7548.7 Ų48.733%0.32927%0.265SS..EExtended strand (participates in β ladder)trans-147.8155.3173.870.9-88.6000111.3T359 L360 Y361 A425 K426T359-F380 HydrophobicContact CG2-CB 4.08Å; T359-F380 HydrophobicContact CG2-CD2 3.87Å; T359-F380 HydrophobicContact CG2-CG 4.39Å; L360-F380 CarbonylContact O-C 3.54Å; L360-F380 VanDerWaalsContact O-CA 3.22Å; L360-F380 WeakPolarHBondContact O-CA 3.28Å; Y361-F380 HydrophobicContact CD1-CB 3.54Å; Y361-F380 HydrophobicContact CD1-CG 4.41Å; Y361-F380 HydrophobicContact CE1-CB 3.83Å; Y361-F380 HydrophobicContact CE1-CG 4.27Å; Y361-F380 HydrophobicContact CG-CB 4.22Å; F380-A425 HydrophobicContact CD1-CB 4.03Å; F380-A425 VanDerWaalsContact CE1-O 3.28Å; F380-A425 WeakPolarHBondContact CE1-O 3.3Å; F380-K426 HydrophobicContact CD1-CB 4.3Å; F380-K426 HydrophobicContact CD2-CB 4.31Å; F380-K426 HydrophobicContact CD2-CD 4.18Å; F380-K426 HydrophobicContact CD2-CG 4.26Å; F380-K426 HydrophobicContact CE1-CB 4.14Å; F380-K426 HydrophobicContact CE1-CG 4.47Å; F380-K426 HydrophobicContact CE2-CB 4.16Å; F380-K426 HydrophobicContact CE2-CD 3.98Å; F380-K426 HydrophobicContact CE2-CG 3.78Å; F380-K426 HydrophobicContact CG-CB 4.39Å; F380-K426 HydrophobicContact CZ-CB 4.07Å; F380-K426 HydrophobicContact CZ-CG 3.9Å
381T95.1Very high92.8Very high23 Ų2345.1 Ų45.114%0.14127%0.266CS..EExtended strand (participates in β ladder)trans-145.9146.4170.8-171.90000110.5L360 F362 V394 L451L360-T381 HydrophobicContact CB-CG2 4.31Å; L360-T381 PolarHBondContact N-O 3.24Å; L360-T381 PolarHBondContact O-N 3.03Å; F362-T381 HydrophobicContact CE2-CG2 4.08Å; T381-V394 HydrophobicContact CG2-CG2 4.04Å; T381-L451 HydrophobicContact CG2-CD1 3.9Å
382E93.1Very high93.3Very high69 Ų6941.3 Ų41.332%0.32224%0.241SC..EExtended strand (participates in β ladder)trans-74.6144.3167.3-58.7-163.716000109.7R385 K426E382-R385 IonicContact OE2-CZ 3.71Å; E382-R385 IonicContact OE2-NE 2.86Å; E382-R385 IonicContact OE2-NH2 3.63Å; E382-R385 PolarHBondContact OE2-NH2 3.15Å; E382-K426 IonicContact OE1-NZ 3.82Å; E382-K426 PolarHBondContact OE1-NZ 2.97Å
383L94Very high93.7Very high2 Ų240.8 Ų40.81%0.0125%0.254CS..PPolyproline II helixtrans-64.3144.3173.5-66-176.3000110.5L274 I276 L297 L339 W357 P358 L360 R385 L453L274-L383 HydrophobicContact CD2-CD1 4.45Å; I276-L383 HydrophobicContact CD1-CB 3.87Å; I276-L383 HydrophobicContact CD1-CD1 3.67Å; I276-L383 HydrophobicContact CD1-CD2 3.85Å; I276-L383 HydrophobicContact CD1-CG 4Å; L297-L383 HydrophobicContact CD1-CD1 3.77Å; L297-L383 HydrophobicContact CD1-CD2 4.42Å; L297-L383 HydrophobicContact CD1-CG 4.06Å; L297-L383 HydrophobicContact CD2-CD1 3.98Å; L339-L383 HydrophobicContact CD1-CD1 3.7Å; W357-L383 PolarHBondContact NE1-O 2.97Å; P358-L383 HydrophobicContact CB-CD1 3.86Å; P358-L383 HydrophobicContact CB-CG 4.32Å; P358-L383 PolarHBondContact O-N 2.78Å; L360-L383 HydrophobicContact CB-CD2 4.21Å; L360-L383 HydrophobicContact CD2-CD2 4.47Å; L383-R385 PolarHBondContact O-N 2.8Å; L383-L453 HydrophobicContact CD2-CD1 4.48Å
384P93.5Very high94.2Very high13 Ų1339 Ų398%0.08424%0.242CC..PPolyproline II helixtrans-56.9136.1179-25.934.7000112.8H390 I392 L453P384-H390 VanDerWaalsContact CB-CD2 3.48Å; P384-H390 WeakPolarHBondContact CB-CD2 3.44Å; P384-H390 HydrophobicContact CG-CB 3.97Å; P384-I392 HydrophobicContact CG-CD1 3.95Å; P384-L453 HydrophobicContact CG-CD1 4.14Å
385R88.4Confident94.4Very high136 Ų13642.2 Ų42.251%0.51327%0.266SS..SBendtrans-87.7-9.5179.2-58.5-176.9-173.9-146.52.5113W357 E382 L383 I457W357-R385 HydrophobicContact CD2-CG 4.08Å; W357-R385 HydrophobicContact CG-CG 4.3Å; W357-R385 HydrophobicContact CZ2-CB 4.48Å; W357-R385 HydrophobicContact CZ2-CG 4.2Å; E382-R385 IonicContact OE2-CZ 3.71Å; E382-R385 IonicContact OE2-NE 2.86Å; E382-R385 IonicContact OE2-NH2 3.63Å; E382-R385 PolarHBondContact OE2-NH2 3.15Å; L383-R385 PolarHBondContact O-N 2.8Å; R385-I457 WeakPolarHBondContact O-CD1 3.23Å
386T89.5Confident94.6Very high88 Ų8842.4 Ų42.454%0.5427%0.267SS..SBendtrans-116.4144.8-177.252.60000110.6H390T386-H390 PolarHBondContact O-NE2 2.79Å; T386-H390 PolarHBondContact OG1-CE1 3.04Å
387A90.4Very high94.7Very high63 Ų6344.7 Ų44.752%0.52128%0.275SS..SBendtrans-72.1150.9175.700000110.7C455 I457A387-C455 CarbonylContact C-O 3.59Å; A387-C455 VanDerWaalsContact CA-O 3.25Å; A387-C455 WeakPolarHBondContact CA-O 3.38Å; A387-I457 HydrophobicContact CB-CB 4.21Å; A387-I457 HydrophobicContact CB-CD1 4.12Å; A387-I457 HydrophobicContact CB-CG1 4.1Å
388G94.1Very high94.6Very high37 Ų3744.8 Ų44.838%0.38128%0.276SS..EExtended strand (participates in β ladder)trans124.2-171.6-177.700000112.8H390 C455G388-H390 PolarHBondContact O-CD2 2.98Å; G388-C455 PolarHBondContact N-O 3.08Å; G388-C455 PolarHBondContact O-N 2.77Å
389A96.7Very high94.4Very high67 Ų6745.1 Ų45.155%0.55428%0.278SS*.EExtended strand (participates in β ladder)trans-91.4136.2177.100000110.4L453 N454A389-L453 CarbonylContact C-O 3.52Å; A389-N454 VanDerWaalsContact CB-OD1 3.28Å; A389-N454 WeakPolarHBondContact CB-OD1 3.28Å
390H97.2Very high94.1Very high45 Ų4546.4 Ų46.421%0.20829%0.286CS..EExtended strand (participates in β ladder)trans-132.5131.6-177.6-62.4-83.8000110.4P384 T386 G388 I392 H452 L453P384-H390 VanDerWaalsContact CB-CD2 3.48Å; P384-H390 WeakPolarHBondContact CB-CD2 3.44Å; P384-H390 HydrophobicContact CG-CB 3.97Å; T386-H390 PolarHBondContact O-NE2 2.79Å; T386-H390 PolarHBondContact OG1-CE1 3.04Å; G388-H390 PolarHBondContact O-CD2 2.98Å; H390-I392 HydrophobicContact CB-CG1 4.35Å; H390-H452 CarbonylContact O-C 3.53Å; H390-H452 WeakPolarHBondContact O-CA 3.34Å; H390-H452 PolarHBondContact O-CD2 2.85Å; H390-L453 PolarHBondContact N-O 2.92Å; H390-L453 PolarHBondContact O-N 3.2Å
391S97.5Very high93.5Very high101 Ų10143.1 Ų43.171%0.70627%0.273SS*.EExtended strand (participates in β ladder)trans-108.1118.6170.6-60.10000108.8L451S391-L451 WeakPolarHBondContact CA-O 3.48Å
392I96.8Very high92.9Very high34 Ų3448.1 Ų48.117%0.17430%0.299CS..EExtended strand (participates in β ladder)trans-122.7127.6-171.7-52.3175.5000109.2P384 H390 V394 L451 L453P384-I392 HydrophobicContact CG-CD1 3.95Å; H390-I392 HydrophobicContact CB-CG1 4.35Å; I392-V394 HydrophobicContact CG2-CG2 4.15Å; I392-L451 HydrophobicContact CB-CB 4.34Å; I392-L451 HydrophobicContact CB-CD1 4.5Å; I392-L451 PolarHBondContact N-O 3.32Å; I392-L451 PolarHBondContact O-N 2.82Å; I392-L453 HydrophobicContact CD1-CD1 3.83Å
393G96.7Very high92.6Very high48 Ų4847.6 Ų47.650%0.49530%0.302SS..EExtended strand (participates in β ladder)trans-101.2118.1170.700000110.7I449G393-I449 CarbonylContact C-O 3.59Å; G393-I449 WeakPolarHBondContact CA-O 3.5Å
394V97.1Very high92.3Very high6 Ų652.8 Ų52.84%0.03633%0.334CS..EExtended strand (participates in β ladder)trans-103117.8-179.1-176.40000109.2F362 T381 I392 K448 I449 L451F362-V394 HydrophobicContact CD2-CG1 4.24Å; F362-V394 HydrophobicContact CE2-CG2 4.11Å; T381-V394 HydrophobicContact CG2-CG2 4.04Å; I392-V394 HydrophobicContact CG2-CG2 4.15Å; V394-K448 CarbonylContact O-C 3.59Å; V394-K448 VanDerWaalsContact O-CA 3.25Å; V394-K448 WeakPolarHBondContact O-CA 3.42Å; V394-I449 HydrophobicContact CB-CB 4.45Å; V394-I449 PolarHBondContact N-O 2.93Å; V394-I449 PolarHBondContact O-N 2.93Å; V394-L451 HydrophobicContact CG2-CD1 3.74Å; V394-L451 HydrophobicContact CG2-CG 4.49Å
395S96.4Very high92.1Very high75 Ų7555.5 Ų55.552%0.52435%0.35SS..EExtended strand (participates in β ladder)trans-82.3133.9176-56.40000110.3K448S395-K448 WeakPolarHBondContact OG-CE 3.3Å
396C96.4Very high92.1Very high5 Ų551.6 Ų51.63%0.03434%0.338CS..EExtended strand (participates in β ladder)trans-107.6156.1-176.3-61.10000111.7F286 Y378 T446 G447F286-C396 HydrophobicContact CE1-CB 4.06Å; F286-C396 HydrophobicContact CZ-CB 3.95Å; Y378-C396 CarbonylContact O-C 3.58Å; Y378-C396 VanDerWaalsContact O-CA 3.23Å; Y378-C396 WeakPolarHBondContact O-CA 3.25Å; C396-T446 PolarHBondContact O-N 2.59Å; C396-T446 PolarHBondContact O-OG1 3.3Å; C396-G447 WeakPolarHBondContact CB-O 3.48Å; C396-G447 PolarHBondContact N-O 2.97Å
397W94.9Very high92Very high47 Ų4750.2 Ų50.218%0.17833%0.325CS..EExtended strand (participates in β ladder)trans-145.8155.8175.563-93.1000110.3G377 Y378 L419 A425 F441 T443 K444G377-W397 CarbonylContact C-O 3.5Å; G377-W397 VanDerWaalsContact CA-O 3.27Å; G377-W397 WeakPolarHBondContact CA-O 3.16Å; Y378-W397 PolarHBondContact N-O 2.83Å; Y378-W397 PolarHBondContact O-N 2.72Å; W397-L419 HydrophobicContact CH2-CD1 4.12Å; W397-A425 HydrophobicContact CZ2-CB 4.31Å; W397-F441 AromaticContact CH2-CE1 3.62Å; W397-F441 HydrophobicContact CH2-CE1 3.62Å; W397-F441 HydrophobicContact CH2-CZ 4.28Å; W397-F441 AromaticContact CZ3-CE1 3.51Å; W397-F441 HydrophobicContact CZ3-CE1 3.51Å; W397-F441 HydrophobicContact CZ3-CZ 4.13Å; W397-T443 HydrophobicContact CD2-CG2 4.36Å; W397-T443 HydrophobicContact CE3-CG2 3.53Å; W397-T443 HydrophobicContact CH2-CG2 4.31Å; W397-T443 HydrophobicContact CZ3-CG2 3.57Å; W397-K444 CarbonylContact C-O 3.52Å; W397-K444 WeakPolarHBondContact CA-O 3.38Å
398R92.3Very high92Very high3 Ų351.4 Ų51.41%0.01132%0.323CS..EExtended strand (participates in β ladder)trans-126.2151.7175.468176.7179.583.2-13.2111.6E287 E407 T443 K444 T446E287-R398 IonicContact OE2-NH2 3.64Å; R398-E407 IonicContact CZ-OE1 3.48Å; R398-E407 IonicContact CZ-OE2 3.47Å; R398-E407 IonicContact NH1-OE1 2.88Å; R398-E407 PolarHBondContact NH1-OE1 3.37Å; R398-E407 IonicContact NH1-OE2 2.84Å; R398-E407 IonicContact NH2-OE1 3.46Å; R398-E407 PolarHBondContact NH2-OE1 2.74Å; R398-E407 IonicContact NH2-OE2 3.49Å; R398-E407 PolarHBondContact NH2-OE2 3.31Å; R398-T443 CarbonylContact O-C 3.53Å; R398-T443 VanDerWaalsContact O-CA 3.28Å; R398-T443 WeakPolarHBondContact O-CA 3.13Å; R398-K444 HydrophobicContact CG-CB 4.43Å; R398-K444 PolarHBondContact N-O 2.82Å; R398-K444 PolarHBondContact O-N 2.96Å; R398-T446 HydrophobicContact CB-CG2 4.31Å; R398-T446 HydrophobicContact CG-CG2 3.74Å
399P91.5Very high91.8Very high9 Ų956.5 Ų56.56%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-62.2150.2166.228-34.6000110.8C417 F441 R442P399-C417 HydrophobicContact CB-CB 4.17Å; P399-C417 HydrophobicContact CG-CB 3.95Å; P399-C417 WeakPolarHBondContact CG-O 3.29Å; P399-F441 HydrophobicContact CB-CE1 4.38Å; P399-F441 HydrophobicContact CB-CE2 4.33Å; P399-F441 HydrophobicContact CB-CZ 3.75Å; P399-R442 WeakPolarHBondContact CA-O 3.37Å
400V88.6Confident91.4Very high29 Ų2953.8 Ų53.818%0.17631%0.306CS..  trans-123.7137174.9-179.90000107.8R442 K444V400-R442 HydrophobicContact CB-CB 4.37Å; V400-R442 PolarHBondContact N-O 2.83Å; V400-K444 HydrophobicContact CG2-CB 3.41Å; V400-K444 VanDerWaalsContact CG2-CB 3.41Å
401G83.8Confident91Very high6 Ų657.8 Ų57.86%0.06232%0.323CS..  trans-64162.6176.800000115.2S403 E406 R442G401-S403 VanDerWaalsContact C-N 3.29Å; G401-E406 WeakPolarHBondContact CA-OE2 3.38Å; G401-R442 PolarHBondContact O-NH1 2.9Å
402D82.4Confident90.5Very high128 Ų12859 Ų5968%0.68432%0.315SS*.SBendtrans-76.5-23.4176.1-76.6-32.2000112.3E406 R442D402-E406 PolarHBondContact N-OE1 3.37Å; D402-R442 PolarHBondContact O-NH1 2.82Å; D402-R442 WeakPolarHBondContact OD1-CD 3.34Å; D402-R442 IonicContact OD1-NH1 3.63Å
403S85.5Confident90Very high57 Ų5762.9 Ų62.940%0.39934%0.335SS..SBendtrans-117149.6-177.5-178.20000113.3G401 V405 E406G401-S403 VanDerWaalsContact C-N 3.29Å; S403-V405 PolarHBondContact O-N 2.95Å; S403-V405 VanDerWaalsContact O-N 3.14Å; S403-V405 WeakPolarHBondContact OG-CG2 3.44Å; S403-V405 PolarHBondContact OG-N 3.35Å; S403-E406 WeakPolarHBondContact O-CB 3.41Å; S403-E406 PolarHBondContact O-N 3.13Å
404V88.2Confident89.4Confident111 Ų11161 Ų6167%0.67332%0.316SS*.Hα-helixtrans-55.6-28.5168.8179.20000111.5E406 E407 L408V404-E406 PolarHBondContact O-N 2.87Å; V404-E407 PolarHBondContact O-N 2.88Å; V404-L408 HydrophobicContact CG1-CD1 4.36Å; V404-L408 HydrophobicContact CG1-CG 4.39Å; V404-L408 WeakPolarHBondContact O-CG 3.26Å; V404-L408 PolarHBondContact O-N 3.01Å
405V89.8Confident88.7Confident71 Ų7162.4 Ų62.443%0.4333%0.331SS..Hα-helixtrans-58.7-32.9176.3178.10000111.8S403 L408 R409S403-V405 PolarHBondContact O-N 2.95Å; S403-V405 VanDerWaalsContact O-N 3.14Å; S403-V405 WeakPolarHBondContact OG-CG2 3.44Å; S403-V405 PolarHBondContact OG-N 3.35Å; V405-L408 PolarHBondContact O-N 2.88Å; V405-R409 HydrophobicContact CG1-CG 4.42Å; V405-R409 WeakPolarHBondContact O-CB 3.48Å; V405-R409 VanDerWaalsContact O-CG 3.3Å; V405-R409 WeakPolarHBondContact O-CG 3.4Å; V405-R409 PolarHBondContact O-N 3.47Å
406E87.6Confident88Confident53 Ų5360 Ų6025%0.24831%0.314CS..Hα-helixtrans-73.2-37.1179.6-68.3175.8-125.200112.1G401 D402 S403 V404 L408 R409 R410 C417G401-E406 WeakPolarHBondContact CA-OE2 3.38Å; D402-E406 PolarHBondContact N-OE1 3.37Å; S403-E406 WeakPolarHBondContact O-CB 3.41Å; S403-E406 PolarHBondContact O-N 3.13Å; V404-E406 PolarHBondContact O-N 2.87Å; E406-L408 VanDerWaalsContact C-N 3.34Å; E406-R409 PolarHBondContact O-N 3.18Å; E406-R410 PolarHBondContact O-N 3.04Å; E406-C417 PolarHBondContact OE2-SG 3.02Å
407E87.8Confident87.4Confident60 Ų6062.3 Ų62.328%0.2833%0.329SS..Hα-helixtrans-69.1-34.6172.1-67.8-65.2136.300111.3R398 V404 R410 F411R398-E407 IonicContact CZ-OE1 3.48Å; R398-E407 IonicContact CZ-OE2 3.47Å; R398-E407 IonicContact NH1-OE1 2.88Å; R398-E407 PolarHBondContact NH1-OE1 3.37Å; R398-E407 IonicContact NH1-OE2 2.84Å; R398-E407 IonicContact NH2-OE1 3.46Å; R398-E407 PolarHBondContact NH2-OE1 2.74Å; R398-E407 IonicContact NH2-OE2 3.49Å; R398-E407 PolarHBondContact NH2-OE2 3.31Å; V404-E407 PolarHBondContact O-N 2.88Å; E407-R410 WeakPolarHBondContact O-CB 3.46Å; E407-R410 PolarHBondContact O-N 2.67Å; E407-F411 WeakPolarHBondContact O-CB 3.29Å; E407-F411 PolarHBondContact O-N 3.43Å
408L90.9Very high87.1Confident88 Ų8865.3 Ų65.346%0.46135%0.345SS..Hα-helixtrans-66.1-41.4170.9-66.5173.3000111.7V404 V405 E406 F411 F412V404-L408 HydrophobicContact CG1-CD1 4.36Å; V404-L408 HydrophobicContact CG1-CG 4.39Å; V404-L408 WeakPolarHBondContact O-CG 3.26Å; V404-L408 PolarHBondContact O-N 3.01Å; V405-L408 PolarHBondContact O-N 2.88Å; E406-L408 VanDerWaalsContact C-N 3.34Å; L408-F411 PolarHBondContact O-N 2.83Å; L408-F412 HydrophobicContact CB-CD2 4.41Å; L408-F412 HydrophobicContact CD2-CE2 4.05Å; L408-F412 WeakPolarHBondContact O-CD2 3.25Å; L408-F412 PolarHBondContact O-N 3.01Å
409R90Very high86.8Confident144 Ų14466.2 Ų66.254%0.54335%0.35SS..Hα-helixtrans-62.9-43.1174.8-78.7175.3-179.81660.4111.2V405 E406 I413 G414 G415V405-R409 HydrophobicContact CG1-CG 4.42Å; V405-R409 WeakPolarHBondContact O-CB 3.48Å; V405-R409 VanDerWaalsContact O-CG 3.3Å; V405-R409 WeakPolarHBondContact O-CG 3.4Å; V405-R409 PolarHBondContact O-N 3.47Å; E406-R409 PolarHBondContact O-N 3.18Å; R409-I413 HydrophobicContact CB-CD1 4.18Å; R409-I413 HydrophobicContact CB-CG1 4.15Å; R409-I413 HydrophobicContact CG-CD1 4.09Å; R409-I413 WeakPolarHBondContact O-CG1 3.46Å; R409-I413 PolarHBondContact O-N 2.97Å; R409-G414 PolarHBondContact O-N 2.09Å; R409-G415 CarbonylContact C-O 3.55Å; R409-G415 PolarHBondContact O-N 3.23Å; R409-G415 VanDerWaalsContact O-N 3.17Å
410R88.8Confident86.4Confident10 Ų1075.7 Ų75.74%0.03839%0.394CS..Hα-helixtrans-52.6-64.2169.2175176.7-169.698.76107.4R374 T375 E376 E406 E407 F412 G414 G415 T416R374-R410 PolarHBondContact NH1-O 3.44Å; R374-R410 PolarHBondContact NH2-O 3.03Å; T375-R410 VanDerWaalsContact O-CZ 3.25Å; T375-R410 PolarHBondContact O-NH1 3.03Å; T375-R410 PolarHBondContact O-NH2 3.29Å; E376-R410 IonicContact OE1-CZ 2.81Å; E376-R410 IonicContact OE1-NH2 2.84Å; E376-R410 PolarHBondContact OE1-NH2 2.89Å; E376-R410 IonicContact OE2-NH2 3.8Å; E376-R410 PolarHBondContact OE2-NH2 2.82Å; E406-R410 PolarHBondContact O-N 3.04Å; E407-R410 WeakPolarHBondContact O-CB 3.46Å; E407-R410 PolarHBondContact O-N 2.67Å; R410-F412 PolarHBondContact O-N 2.63Å; R410-G414 VanDerWaalsContact O-CA 3.28Å; R410-G414 WeakPolarHBondContact O-CA 3.4Å; R410-G414 PolarHBondContact O-N 2.85Å; R410-G415 WeakPolarHBondContact CA-O 3.45Å; R410-G415 WeakPolarHBondContact CB-O 3.26Å; R410-G415 PolarHBondContact N-O 3.28Å; R410-T416 HydrophobicContact CB-CG2 4.23Å; R410-T416 HydrophobicContact CG-CG2 3.77Å
411F87.5Confident86.2Confident129 Ų12977.3 Ų77.357%0.56640%0.401SS*.Hα-helixtrans-52.1-50.6-175.1-173.7-99.7000114.5R374 E407 L408R374-F411 PolarHBondContact NH1-O 3.26Å; R374-F411 PolarHBondContact NH2-O 2.88Å; E407-F411 WeakPolarHBondContact O-CB 3.29Å; E407-F411 PolarHBondContact O-N 3.43Å; L408-F411 PolarHBondContact O-N 2.83Å
412F87.9Confident86.1Confident126 Ų12679 Ų7955%0.55341%0.411SS*.Hα-helixtrans-86.4-39.5-172-74.3-71.3000114.9R372 L408 R410R372-F412 PolarHBondContact NH1-O 2.87Å; L408-F412 HydrophobicContact CB-CD2 4.41Å; L408-F412 HydrophobicContact CD2-CE2 4.05Å; L408-F412 WeakPolarHBondContact O-CD2 3.25Å; L408-F412 PolarHBondContact O-N 3.01Å; R410-F412 PolarHBondContact O-N 2.63Å
413I87.1Confident86.2Confident116 Ų11673.2 Ų73.260%0.59538%0.38SS*.Hα-helixtrans-116.6-3.7-172.159.2170.5000113.7R409 G415R409-I413 HydrophobicContact CB-CD1 4.18Å; R409-I413 HydrophobicContact CB-CG1 4.15Å; R409-I413 HydrophobicContact CG-CD1 4.09Å; R409-I413 WeakPolarHBondContact O-CG1 3.46Å; R409-I413 PolarHBondContact O-N 2.97Å; I413-G415 PolarHBondContact O-N 3.43Å
414G84Confident86.2Confident9 Ų973 Ų739%0.09337%0.372CS..  trans769.9-17400000113.4R409 R410 T416R409-G414 PolarHBondContact O-N 2.09Å; R410-G414 VanDerWaalsContact O-CA 3.28Å; R410-G414 WeakPolarHBondContact O-CA 3.4Å; R410-G414 PolarHBondContact O-N 2.85Å; G414-T416 PolarHBondContact O-N 3.06Å; G414-T416 VanDerWaalsContact O-N 3.1Å
415G81.3Confident85.8Confident34 Ų3468.1 Ų68.135%0.35134%0.344SS..  trans-6910917800000110.2R409 R410 I413R409-G415 CarbonylContact C-O 3.55Å; R409-G415 PolarHBondContact O-N 3.23Å; R409-G415 VanDerWaalsContact O-N 3.17Å; R410-G415 WeakPolarHBondContact CA-O 3.45Å; R410-G415 WeakPolarHBondContact CB-O 3.26Å; R410-G415 PolarHBondContact N-O 3.28Å; I413-G415 PolarHBondContact O-N 3.43Å
416T82.8Confident85.4Confident25 Ų2567 Ų6715%0.15333%0.333CS..  trans-119.8142.4178.3610000111.1R374 T375 R410 G414 Q418R374-T416 HydrophobicContact CB-CG2 3.73Å; R374-T416 HydrophobicContact CG-CG2 4.02Å; T375-T416 PolarHBondContact N-OG1 3.19Å; R410-T416 HydrophobicContact CB-CG2 4.23Å; R410-T416 HydrophobicContact CG-CG2 3.77Å; G414-T416 PolarHBondContact O-N 3.06Å; G414-T416 VanDerWaalsContact O-N 3.1Å; T416-Q418 PolarHBondContact O-N 2.86Å
417C83.8Confident84.9Confident54 Ų5469.6 Ų69.637%0.36535%0.348SS..  trans-63.9126.3165.9-580000108.3P399 E406P399-C417 HydrophobicContact CB-CB 4.17Å; P399-C417 HydrophobicContact CG-CB 3.95Å; P399-C417 WeakPolarHBondContact CG-O 3.29Å; E406-C417 PolarHBondContact OE2-SG 3.02Å
418Q86.8Confident84.1Confident109 Ų10967.4 Ų67.451%0.50934%0.339SS..  trans-118.1153.7179.9-70.2-178.1-12.100109.1T375 T416T375-Q418 WeakPolarHBondContact OG1-CG 3.13Å; T375-Q418 PolarHBondContact OG1-NE2 2.85Å; T375-Q418 VanDerWaalsContact OG1-NE2 3.08Å; T416-Q418 PolarHBondContact O-N 2.86Å
419L87Confident82.8Confident22 Ų2266.2 Ų66.212%0.11535%0.347CS..  trans-77.9135.2169.1-63.4176.5000108.6Y378 W397 F424 F441Y378-L419 HydrophobicContact CD1-CD1 4.16Å; Y378-L419 HydrophobicContact CD2-CD1 3.67Å; Y378-L419 HydrophobicContact CD2-CG 4.02Å; Y378-L419 HydrophobicContact CE1-CB 4.43Å; Y378-L419 HydrophobicContact CE1-CD1 4.31Å; Y378-L419 HydrophobicContact CE2-CB 4.24Å; Y378-L419 HydrophobicContact CE2-CD1 3.83Å; Y378-L419 HydrophobicContact CE2-CG 3.68Å; Y378-L419 HydrophobicContact CG-CD1 3.83Å; Y378-L419 PolarHBondContact OH-N 2.89Å; Y378-L419 VanDerWaalsContact OH-N 3.09Å; W397-L419 HydrophobicContact CH2-CD1 4.12Å; L419-F424 HydrophobicContact CD1-CB 4.39Å; L419-F424 HydrophobicContact CD1-CD1 4.47Å; L419-F424 HydrophobicContact CD2-CB 4.44Å; L419-F424 HydrophobicContact CD2-CD1 3.65Å; L419-F424 HydrophobicContact CD2-CE1 4.37Å; L419-F424 HydrophobicContact CD2-CG 4.39Å; L419-F441 HydrophobicContact CD2-CE2 4.41Å; L419-F441 HydrophobicContact CD2-CZ 3.73Å
420E83.7Confident81.7Confident209 Ų20963.9 Ų63.998%0.97735%0.353SS*.SBendtrans-65-35.2170.1-66-175.4165.400111.2
421D84.1Confident80.7Confident62 Ų6266.6 Ų66.633%0.33237%0.365SS..SBendtrans-127.2114.2177.2-176.6-6.8000110T423 F424D421-T423 PolarHBondContact O-N 3.41Å; D421-T423 VanDerWaalsContact O-N 3.12Å; D421-T423 WeakPolarHBondContact OD1-CB 3.47Å; D421-T423 VanDerWaalsContact OD1-CG2 3.31Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.23Å; D421-T423 PolarHBondContact OD1-N 2.88Å; D421-T423 PolarHBondContact OD1-OG1 3.28Å; D421-T423 PolarHBondContact OD2-OG1 3Å; D421-F424 WeakPolarHBondContact O-CB 3.38Å; D421-F424 PolarHBondContact O-N 2.96Å
422P81.7Confident79.6Confident42 Ų4269.6 Ų69.627%0.27338%0.381SS..G310 helixtrans-56.1-25.1175.2-25.834.7000114F424 A425P422-F424 PolarHBondContact O-N 2.88Å; P422-A425 WeakPolarHBondContact O-CB 3.15Å; P422-A425 PolarHBondContact O-N 3.36Å
423T84.2Confident78.7Confident6 Ų666.8 Ų66.84%0.03738%0.377CS..G310 helixtrans-67.5-17.3177.475.60000112.7Y361 D421 A425 K426 P428Y361-T423 HydrophobicContact CE2-CG2 4.19Å; D421-T423 PolarHBondContact O-N 3.41Å; D421-T423 VanDerWaalsContact O-N 3.12Å; D421-T423 WeakPolarHBondContact OD1-CB 3.47Å; D421-T423 VanDerWaalsContact OD1-CG2 3.31Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.23Å; D421-T423 PolarHBondContact OD1-N 2.88Å; D421-T423 PolarHBondContact OD1-OG1 3.28Å; D421-T423 PolarHBondContact OD2-OG1 3Å; T423-A425 PolarHBondContact O-N 2.78Å; T423-A425 VanDerWaalsContact O-N 3.08Å; T423-K426 CarbonylContact O-C 3.45Å; T423-K426 PolarHBondContact O-N 3.1Å; T423-P428 WeakPolarHBondContact OG1-CA 3.44Å
424F84.4Confident77.9Confident53 Ų5368.9 Ų68.923%0.23239%0.389CS..G310 helixtrans-59.7-17168.4-170.3-95.3000112.8L419 D421 P422 K426 P428 K438 F441L419-F424 HydrophobicContact CD1-CB 4.39Å; L419-F424 HydrophobicContact CD1-CD1 4.47Å; L419-F424 HydrophobicContact CD2-CB 4.44Å; L419-F424 HydrophobicContact CD2-CD1 3.65Å; L419-F424 HydrophobicContact CD2-CE1 4.37Å; L419-F424 HydrophobicContact CD2-CG 4.39Å; D421-F424 WeakPolarHBondContact O-CB 3.38Å; D421-F424 PolarHBondContact O-N 2.96Å; P422-F424 PolarHBondContact O-N 2.88Å; F424-K426 PolarHBondContact O-N 3.08Å; F424-P428 HydrophobicContact CB-CG 4.32Å; F424-P428 HydrophobicContact CD2-CG 4.06Å; F424-K438 HydrophobicContact CE1-CD 4.18Å; F424-K438 HydrophobicContact CE2-CG 4.47Å; F424-K438 HydrophobicContact CZ-CD 3.94Å; F424-K438 HydrophobicContact CZ-CG 3.94Å; F424-K438 PolarHBondContact O-NZ 3.32Å; F424-F441 HydrophobicContact CE1-CD1 4.22Å; F424-F441 HydrophobicContact CE1-CD2 4.46Å; F424-F441 HydrophobicContact CE1-CE1 4.03Å; F424-F441 HydrophobicContact CE1-CE2 4.3Å; F424-F441 HydrophobicContact CE1-CG 4.42Å; F424-F441 HydrophobicContact CE1-CZ 4.07Å
425A79.8Confident77.4Confident9 Ų974.6 Ų74.67%0.07442%0.418CS..G310 helixtrans-57-33.6168.700000112.4Y361 F380 W397 P422 T423Y361-A425 HydrophobicContact CD1-CB 4.33Å; F380-A425 HydrophobicContact CD1-CB 4.03Å; F380-A425 VanDerWaalsContact CE1-O 3.28Å; F380-A425 WeakPolarHBondContact CE1-O 3.3Å; W397-A425 HydrophobicContact CZ2-CB 4.31Å; P422-A425 WeakPolarHBondContact O-CB 3.15Å; P422-A425 PolarHBondContact O-N 3.36Å; T423-A425 PolarHBondContact O-N 2.78Å; T423-A425 VanDerWaalsContact O-N 3.08Å
426K82.1Confident77Confident46 Ų4675.5 Ų75.520%0.242%0.415CS..SBendtrans-106.6-133.9173.7-163.5-174.5-174.1175.70109.4T359 Y361 F380 E382 T423 F424 K438T359-K426 HydrophobicContact CG2-CD 4.21Å; T359-K426 PolarHBondContact OG1-NZ 2.89Å; Y361-K426 HydrophobicContact CE1-CB 3.92Å; F380-K426 HydrophobicContact CD1-CB 4.3Å; F380-K426 HydrophobicContact CD2-CB 4.31Å; F380-K426 HydrophobicContact CD2-CD 4.18Å; F380-K426 HydrophobicContact CD2-CG 4.26Å; F380-K426 HydrophobicContact CE1-CB 4.14Å; F380-K426 HydrophobicContact CE1-CG 4.47Å; F380-K426 HydrophobicContact CE2-CB 4.16Å; F380-K426 HydrophobicContact CE2-CD 3.98Å; F380-K426 HydrophobicContact CE2-CG 3.78Å; F380-K426 HydrophobicContact CG-CB 4.39Å; F380-K426 HydrophobicContact CZ-CB 4.07Å; F380-K426 HydrophobicContact CZ-CG 3.9Å; E382-K426 IonicContact OE1-NZ 3.82Å; E382-K426 PolarHBondContact OE1-NZ 2.97Å; T423-K426 CarbonylContact O-C 3.45Å; T423-K426 PolarHBondContact O-N 3.1Å; F424-K426 PolarHBondContact O-N 3.08Å; K426-K438 PolarHBondContact O-NZ 2.98Å
427I76.5Confident76.8Confident109 Ų10979.8 Ų79.856%0.55944%0.441SS*.  trans-107.2115.7168.8-62.6170.7000103.8G429 F431 L436I427-G429 PolarHBondContact O-N 3.43Å; I427-F431 HydrophobicContact CG2-CB 4.33Å; I427-F431 HydrophobicContact CG2-CD1 4.33Å; I427-L436 HydrophobicContact CG1-CD2 4.29Å; I427-L436 HydrophobicContact CG2-CD2 4.32Å
428P71.4Confident76.7Confident14 Ų1480.7 Ų80.79%0.09144%0.438CS..  trans-53.4136.4178.7-24.731.7000111T423 F424 S430 F431T423-P428 WeakPolarHBondContact OG1-CA 3.44Å; F424-P428 HydrophobicContact CB-CG 4.32Å; F424-P428 HydrophobicContact CD2-CG 4.06Å; P428-S430 PolarHBondContact O-N 3.11Å; P428-F431 HydrophobicContact CB-CB 4.46Å; P428-F431 WeakPolarHBondContact O-CB 3.5Å; P428-F431 PolarHBondContact O-N 2.99Å
429G64.8Low76.4Confident62 Ų6286 Ų8664%0.63946%0.455SS*.THydrogen-bonded Turntrans-61.4-25.1178.200000113.4I427 F431I427-G429 PolarHBondContact O-N 3.43Å; G429-F431 PolarHBondContact O-N 3.31Å
430S66.3Low76.1Confident95 Ų9587.7 Ų87.766%0.66448%0.478SS*.THydrogen-bonded Turntrans-74.7-5.9175.155.50000114.1P428 E432P428-S430 PolarHBondContact O-N 3.11Å; S430-E432 PolarHBondContact O-N 3.23Å
431F68.4Low76.1Confident67 Ų6781.5 Ų81.529%0.29445%0.448SS..  trans-82.1102.9-176.6-168.4-105.1000111.7I427 P428 G429 S433 N435 L436I427-F431 HydrophobicContact CG2-CB 4.33Å; I427-F431 HydrophobicContact CG2-CD1 4.33Å; P428-F431 HydrophobicContact CB-CB 4.46Å; P428-F431 WeakPolarHBondContact O-CB 3.5Å; P428-F431 PolarHBondContact O-N 2.99Å; G429-F431 PolarHBondContact O-N 3.31Å; F431-S433 VanDerWaalsContact CD1-O 3.26Å; F431-S433 WeakPolarHBondContact CD1-O 3.49Å; F431-S433 WeakPolarHBondContact CE1-O 3.34Å; F431-S433 VanDerWaalsContact CE1-OG 3.22Å; F431-S433 WeakPolarHBondContact CE1-OG 3.5Å; F431-S433 WeakPolarHBondContact CZ-OG 3.15Å; F431-N435 VanDerWaalsContact CZ-C 3.49Å; F431-N435 WeakPolarHBondContact CZ-O 3.43Å; F431-L436 HydrophobicContact CD1-CB 4.11Å; F431-L436 HydrophobicContact CD1-CD1 4.47Å; F431-L436 HydrophobicContact CD2-CD1 3.8Å; F431-L436 HydrophobicContact CE1-CB 3.49Å; F431-L436 VanDerWaalsContact CE1-CB 3.49Å; F431-L436 HydrophobicContact CE1-CD1 4.24Å; F431-L436 HydrophobicContact CE1-CG 4.39Å; F431-L436 HydrophobicContact CE2-CB 4.3Å; F431-L436 HydrophobicContact CE2-CD1 3.55Å; F431-L436 HydrophobicContact CG-CD1 4.25Å; F431-L436 HydrophobicContact CZ-CB 3.6Å; F431-L436 HydrophobicContact CZ-CD1 3.76Å; F431-L436 HydrophobicContact CZ-CG 4.27Å
432E64Low76.3Confident192 Ų19284.5 Ų84.590%0.89745%0.454SS*.  trans-87.6-14-176.5-63.6-176.5168.800114.4S430S430-E432 PolarHBondContact O-N 3.23Å
433S69.2Low76.7Confident67 Ų6786.1 Ų86.147%0.46946%0.463SS..SBendtrans-88.1161.2-175.196.70000112.5F431 N435F431-S433 VanDerWaalsContact CD1-O 3.26Å; F431-S433 WeakPolarHBondContact CD1-O 3.49Å; F431-S433 WeakPolarHBondContact CE1-O 3.34Å; F431-S433 VanDerWaalsContact CE1-OG 3.22Å; F431-S433 WeakPolarHBondContact CE1-OG 3.5Å; F431-S433 WeakPolarHBondContact CZ-OG 3.15Å; S433-N435 VanDerWaalsContact C-N 3.33Å; S433-N435 PolarHBondContact OG-N 3.11Å
434N68.9Low77.1Confident160 Ų16090.3 Ų90.386%0.85648%0.481SS*.SBendtrans-77.2-17.2177.8-74.5-11.5000113.8
435N73.5Confident77.5Confident129 Ų12992.7 Ų92.769%0.6950%0.504SS*.  trans-124.488-167.2-69.3-29.8000112F431 S433 V437F431-N435 VanDerWaalsContact CZ-C 3.49Å; F431-N435 WeakPolarHBondContact CZ-O 3.43Å; S433-N435 VanDerWaalsContact C-N 3.33Å; S433-N435 PolarHBondContact OG-N 3.11Å; N435-V437 PolarHBondContact O-N 3.49Å
436L73.8Confident78.2Confident54 Ų5493.8 Ų93.828%0.28351%0.51SS..  trans-80.3101.6172.8-175.361.2000110.2I427 F431 K438I427-L436 HydrophobicContact CG1-CD2 4.29Å; I427-L436 HydrophobicContact CG2-CD2 4.32Å; F431-L436 HydrophobicContact CD1-CB 4.11Å; F431-L436 HydrophobicContact CD1-CD1 4.47Å; F431-L436 HydrophobicContact CD2-CD1 3.8Å; F431-L436 HydrophobicContact CE1-CB 3.49Å; F431-L436 VanDerWaalsContact CE1-CB 3.49Å; F431-L436 HydrophobicContact CE1-CD1 4.24Å; F431-L436 HydrophobicContact CE1-CG 4.39Å; F431-L436 HydrophobicContact CE2-CB 4.3Å; F431-L436 HydrophobicContact CE2-CD1 3.55Å; F431-L436 HydrophobicContact CG-CD1 4.25Å; F431-L436 HydrophobicContact CZ-CB 3.6Å; F431-L436 HydrophobicContact CZ-CD1 3.76Å; F431-L436 HydrophobicContact CZ-CG 4.27Å; L436-K438 HydrophobicContact CD2-CD 4.49Å; L436-K438 HydrophobicContact CD2-CG 4.37Å; L436-K438 HydrophobicContact CG-CG 4.1Å; L436-K438 PolarHBondContact O-N 2.85Å
437V78.9Confident78.7Confident115 Ų11591.7 Ų91.770%0.69750%0.501SS*.  trans-85.6105.7175.9-177.70000109.3N435N435-V437 PolarHBondContact O-N 3.49Å
438K81Confident79.6Confident73 Ų7391.3 Ų91.332%0.31750%0.496SS..  trans-96.914.7167.9-57.3-167.7-177.7-1730112.8F424 K426 L436 F441F424-K438 HydrophobicContact CE1-CD 4.18Å; F424-K438 HydrophobicContact CE2-CG 4.47Å; F424-K438 HydrophobicContact CZ-CD 3.94Å; F424-K438 HydrophobicContact CZ-CG 3.94Å; F424-K438 PolarHBondContact O-NZ 3.32Å; K426-K438 PolarHBondContact O-NZ 2.98Å; L436-K438 HydrophobicContact CD2-CD 4.49Å; L436-K438 HydrophobicContact CD2-CG 4.37Å; L436-K438 HydrophobicContact CG-CG 4.1Å; L436-K438 PolarHBondContact O-N 2.85Å; K438-F441 VanDerWaalsContact O-CB 3.25Å; K438-F441 WeakPolarHBondContact O-CB 3.26Å; K438-F441 PolarHBondContact O-N 3.34Å
439Y80.6Confident80.8Confident221 Ų22190.7 Ų90.787%0.86749%0.492SS*.THydrogen-bonded Turntrans-63.5140-179.6-177.2-98.3000110.9F441Y439-F441 PolarHBondContact O-N 2.88Å
440G81.4Confident82.4Confident57 Ų5791.7 Ų91.759%0.58848%0.479SS*.THydrogen-bonded Turntrans83.3-14.1-174.900000114.3R442G440-R442 PolarHBondContact O-N 2.84Å; G440-R442 VanDerWaalsContact O-N 3.15Å
441F83.5Confident83.9Confident78 Ų7887.2 Ų87.234%0.34245%0.447SS..  trans-76.4104.3177.6-169.2-102.5000110.8W397 P399 L419 F424 K438 Y439 T443W397-F441 AromaticContact CH2-CE1 3.62Å; W397-F441 HydrophobicContact CH2-CE1 3.62Å; W397-F441 HydrophobicContact CH2-CZ 4.28Å; W397-F441 AromaticContact CZ3-CE1 3.51Å; W397-F441 HydrophobicContact CZ3-CE1 3.51Å; W397-F441 HydrophobicContact CZ3-CZ 4.13Å; P399-F441 HydrophobicContact CB-CE1 4.38Å; P399-F441 HydrophobicContact CB-CE2 4.33Å; P399-F441 HydrophobicContact CB-CZ 3.75Å; L419-F441 HydrophobicContact CD2-CE2 4.41Å; L419-F441 HydrophobicContact CD2-CZ 3.73Å; F424-F441 HydrophobicContact CE1-CD1 4.22Å; F424-F441 HydrophobicContact CE1-CD2 4.46Å; F424-F441 HydrophobicContact CE1-CE1 4.03Å; F424-F441 HydrophobicContact CE1-CE2 4.3Å; F424-F441 HydrophobicContact CE1-CG 4.42Å; F424-F441 HydrophobicContact CE1-CZ 4.07Å; K438-F441 VanDerWaalsContact O-CB 3.25Å; K438-F441 WeakPolarHBondContact O-CB 3.26Å; K438-F441 PolarHBondContact O-N 3.34Å; Y439-F441 PolarHBondContact O-N 2.88Å; F441-T443 HydrophobicContact CD1-CG2 3.51Å; F441-T443 HydrophobicContact CE1-CG2 3.5Å; F441-T443 VanDerWaalsContact CE1-CG2 3.5Å
442R88.4Confident85.3Confident126 Ų12686.6 Ų86.648%0.47545%0.445SS..  trans-81.6130.1-176.9-65.5176.166.2-167.7-5.7110.9P399 V400 G401 D402 G440P399-R442 WeakPolarHBondContact CA-O 3.37Å; V400-R442 HydrophobicContact CB-CB 4.37Å; V400-R442 PolarHBondContact N-O 2.83Å; G401-R442 PolarHBondContact O-NH1 2.9Å; D402-R442 PolarHBondContact O-NH1 2.82Å; D402-R442 WeakPolarHBondContact OD1-CD 3.34Å; D402-R442 IonicContact OD1-NH1 3.63Å; G440-R442 PolarHBondContact O-N 2.84Å; G440-R442 VanDerWaalsContact O-N 3.15Å
443T90.7Very high86.9Confident75 Ų7577.5 Ų77.546%0.4640%0.402SS..EExtended strand (participates in β ladder)trans-131.3152.4-178.860.20000111.6W397 R398 F441W397-T443 HydrophobicContact CD2-CG2 4.36Å; W397-T443 HydrophobicContact CE3-CG2 3.53Å; W397-T443 HydrophobicContact CH2-CG2 4.31Å; W397-T443 HydrophobicContact CZ3-CG2 3.57Å; R398-T443 CarbonylContact O-C 3.53Å; R398-T443 VanDerWaalsContact O-CA 3.28Å; R398-T443 WeakPolarHBondContact O-CA 3.13Å; F441-T443 HydrophobicContact CD1-CG2 3.51Å; F441-T443 HydrophobicContact CE1-CG2 3.5Å; F441-T443 VanDerWaalsContact CE1-CG2 3.5Å
444K91.2Very high88.2Confident94 Ų9477.9 Ų77.941%0.40940%0.399SS..EExtended strand (participates in β ladder)trans-122.9128.9170.4178.2-179-179.4-167.10109E287 W397 R398 V400E287-K444 IonicContact OE2-NZ 3.65Å; E287-K444 PolarHBondContact OE2-NZ 2.91Å; W397-K444 CarbonylContact C-O 3.52Å; W397-K444 WeakPolarHBondContact CA-O 3.38Å; R398-K444 HydrophobicContact CG-CB 4.43Å; R398-K444 PolarHBondContact N-O 2.82Å; R398-K444 PolarHBondContact O-N 2.96Å; V400-K444 HydrophobicContact CG2-CB 3.41Å; V400-K444 VanDerWaalsContact CG2-CB 3.41Å
445S93.5Very high89.5Confident103 Ų10370.7 Ų70.772%0.7236%0.361SS*.EExtended strand (participates in β ladder)trans-65.1136.6170.4-54.80000109.7
446T93.4Very high90.4Very high33 Ų3366.5 Ų66.520%0.20235%0.345CS..EExtended strand (participates in β ladder)trans-118.8-132.5-179.661.30000110E376 C396 R398E376-T446 VanDerWaalsContact O-CB 3.31Å; E376-T446 WeakPolarHBondContact O-CB 3.48Å; E376-T446 WeakPolarHBondContact O-CG2 3.43Å; E376-T446 PolarHBondContact O-OG1 3.02Å; C396-T446 PolarHBondContact O-N 2.59Å; C396-T446 PolarHBondContact O-OG1 3.3Å; R398-T446 HydrophobicContact CB-CG2 4.31Å; R398-T446 HydrophobicContact CG-CG2 3.74Å
447G93.8Very high91.1Very high1 Ų166 Ų661%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-86.9-170.3-17500000114.2T284 N285 C396T284-G447 CarbonylContact O-C 3.49Å; T284-G447 WeakPolarHBondContact O-CA 3.29Å; N285-G447 WeakPolarHBondContact O-CA 3.5Å; N285-G447 PolarHBondContact O-N 3.44Å; C396-G447 WeakPolarHBondContact CB-O 3.48Å; C396-G447 PolarHBondContact N-O 2.97Å
448K96Very high91.6Very high102 Ų10262.1 Ų62.144%0.44332%0.316SS..EExtended strand (participates in β ladder)trans-124.9143.2175-65.4-176.3178.4175.70110.6A283 T284 V394 S395 F450A283-K448 CarbonylContact C-O 3.5Å; A283-K448 WeakPolarHBondContact CA-O 3.45Å; T284-K448 PolarHBondContact N-O 2.97Å; T284-K448 PolarHBondContact O-N 2.96Å; V394-K448 CarbonylContact O-C 3.59Å; V394-K448 VanDerWaalsContact O-CA 3.25Å; V394-K448 WeakPolarHBondContact O-CA 3.42Å; S395-K448 WeakPolarHBondContact OG-CE 3.3Å; K448-F450 HydrophobicContact CB-CE2 4.48Å; K448-F450 HydrophobicContact CB-CZ 4.36Å
449I96.2Very high91.7Very high0 Ų059.3 Ų59.30%031%0.306CS..EExtended strand (participates in β ladder)trans-105.1141.5172-54.9170.8000108.5I280 G282 F286 V293 F362 V364 G393 V394 L451I280-I449 HydrophobicContact CG2-CG2 3.79Å; G282-I449 CarbonylContact O-C 3.5Å; G282-I449 WeakPolarHBondContact O-CA 3.21Å; F286-I449 HydrophobicContact CE2-CG1 4.47Å; F286-I449 HydrophobicContact CZ-CG1 4.35Å; V293-I449 HydrophobicContact CG1-CD1 4.19Å; V293-I449 HydrophobicContact CG2-CD1 4.45Å; F362-I449 HydrophobicContact CB-CD1 3.65Å; F362-I449 HydrophobicContact CD1-CD1 4.34Å; F362-I449 HydrophobicContact CD2-CD1 4.49Å; F362-I449 HydrophobicContact CG-CD1 3.92Å; V364-I449 HydrophobicContact CG2-CD1 3.37Å; V364-I449 HydrophobicContact CG2-CG1 3.92Å; G393-I449 CarbonylContact C-O 3.59Å; G393-I449 WeakPolarHBondContact CA-O 3.5Å; V394-I449 HydrophobicContact CB-CB 4.45Å; V394-I449 PolarHBondContact N-O 2.93Å; V394-I449 PolarHBondContact O-N 2.93Å; I449-L451 HydrophobicContact CG2-CD2 4.18Å
450F97.2Very high91.5Very high84 Ų8451.4 Ų51.437%0.36828%0.275SS..EExtended strand (participates in β ladder)trans-111.7129.8176.6-60.9-79.3000110.5M281 G282 T284 K448M281-F450 HydrophobicContact CB-CB 4.35Å; M281-F450 WeakPolarHBondContact CB-O 3.3Å; M281-F450 PolarHBondContact N-O 2.72Å; G282-F450 PolarHBondContact N-O 3.25Å; G282-F450 PolarHBondContact O-N 2.72Å; T284-F450 HydrophobicContact CG2-CD2 4.45Å; T284-F450 HydrophobicContact CG2-CE2 3.67Å; K448-F450 HydrophobicContact CB-CE2 4.48Å; K448-F450 HydrophobicContact CB-CZ 4.36Å
451L97.4Very high91.1Very high1 Ų152.7 Ų52.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-121.5144.2-179-54.4167.6000109.6I280 F362 T381 S391 I392 V394 I449 L453I280-L451 HydrophobicContact CB-CD2 4.14Å; I280-L451 HydrophobicContact CG1-CD2 3.81Å; I280-L451 HydrophobicContact CG2-CD2 4.08Å; F362-L451 HydrophobicContact CE1-CD1 4.46Å; F362-L451 HydrophobicContact CE1-CD2 3.88Å; F362-L451 HydrophobicContact CE2-CD1 3.75Å; F362-L451 HydrophobicContact CZ-CD1 3.41Å; F362-L451 VanDerWaalsContact CZ-CD1 3.41Å; F362-L451 HydrophobicContact CZ-CD2 3.63Å; F362-L451 HydrophobicContact CZ-CG 4.1Å; T381-L451 HydrophobicContact CG2-CD1 3.9Å; S391-L451 WeakPolarHBondContact CA-O 3.48Å; I392-L451 HydrophobicContact CB-CB 4.34Å; I392-L451 HydrophobicContact CB-CD1 4.5Å; I392-L451 PolarHBondContact N-O 3.32Å; I392-L451 PolarHBondContact O-N 2.82Å; V394-L451 HydrophobicContact CG2-CD1 3.74Å; V394-L451 HydrophobicContact CG2-CG 4.49Å; I449-L451 HydrophobicContact CG2-CD2 4.18Å; L451-L453 HydrophobicContact CB-CG 4.5Å
452H97.8Very high90.5Very high54 Ų5450.9 Ų50.925%0.2527%0.268CS..EExtended strand (participates in β ladder)trans-123.8117.4167.4-175.6-124.4000109.4G278 E279 M281 H390G278-H452 CarbonylContact C-O 3.51Å; G278-H452 WeakPolarHBondContact CA-O 3.25Å; E279-H452 HydrophobicContact CG-CB 4.25Å; E279-H452 PolarHBondContact N-O 2.7Å; E279-H452 PolarHBondContact O-N 2.81Å; M281-H452 HydrophobicContact CG-CB 3.96Å; M281-H452 HydrophobicContact SD-CB 3.74Å; H390-H452 CarbonylContact O-C 3.53Å; H390-H452 WeakPolarHBondContact O-CA 3.34Å; H390-H452 PolarHBondContact O-CD2 2.85Å
453L97.6Very high89.6Confident0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-123123.7-173.6-56.5-178.2000110.5I276 I335 L383 P384 A389 H390 I392 L451I276-L453 HydrophobicContact CG2-CB 4.06Å; I276-L453 HydrophobicContact CG2-CD2 4.1Å; I276-L453 HydrophobicContact CG2-CG 4.46Å; I335-L453 HydrophobicContact CD1-CD2 3.9Å; I335-L453 HydrophobicContact CG1-CD2 4.39Å; L383-L453 HydrophobicContact CD2-CD1 4.48Å; P384-L453 HydrophobicContact CG-CD1 4.14Å; A389-L453 CarbonylContact C-O 3.52Å; H390-L453 PolarHBondContact N-O 2.92Å; H390-L453 PolarHBondContact O-N 3.2Å; I392-L453 HydrophobicContact CD1-CD1 3.83Å; L451-L453 HydrophobicContact CB-CG 4.5Å
454N97.8Very high88.4Confident75 Ų7549.1 Ų49.140%0.40126%0.259SS..EExtended strand (participates in β ladder)trans-98.4116.3168.7-61.5-58.5000109.3I276 A277 A389I276-N454 WeakPolarHBondContact CA-O 3.39Å; A277-N454 PolarHBondContact N-O 3.16Å; A277-N454 WeakPolarHBondContact O-CA 3.34Å; A277-N454 VanDerWaalsContact O-CB 3.3Å; A277-N454 WeakPolarHBondContact O-CB 3.45Å; A277-N454 PolarHBondContact O-N 2.82Å; A389-N454 VanDerWaalsContact CB-OD1 3.28Å; A389-N454 WeakPolarHBondContact CB-OD1 3.28Å
455C95.5Very high87Confident9 Ų951 Ų516%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-107.9125.3-174.7-61.20000110.6I276 A387 G388I276-C455 HydrophobicContact CG1-CB 4.5Å; A387-C455 CarbonylContact C-O 3.59Å; A387-C455 VanDerWaalsContact CA-O 3.25Å; A387-C455 WeakPolarHBondContact CA-O 3.38Å; G388-C455 PolarHBondContact N-O 3.08Å; G388-C455 PolarHBondContact O-N 2.77Å
456A92.6Very high85.5Confident41 Ų4150 Ų5034%0.33925%0.253SS..EExtended strand (participates in β ladder)trans-114.3132.3170.600000109.9F275F275-A456 HydrophobicContact CB-CB 4.32Å; F275-A456 HydrophobicContact CD1-CB 4.49Å; F275-A456 PolarHBondContact N-O 3.49Å; F275-A456 PolarHBondContact O-N 3.29Å
457I89.5Confident83.7Confident43 Ų4354.2 Ų54.222%0.22127%0.272CS..EExtended strand (participates in β ladder)trans-120.4116.2-173.5-68.8-179.8000108.3F272 L274 R385 A387 N462F272-I457 HydrophobicContact CD2-CG2 3.81Å; F272-I457 HydrophobicContact CE2-CB 3.74Å; F272-I457 HydrophobicContact CE2-CG1 3.93Å; F272-I457 HydrophobicContact CE2-CG2 3.14Å; F272-I457 HydrophobicContact CZ-CB 4.33Å; F272-I457 HydrophobicContact CZ-CD1 4.43Å; F272-I457 HydrophobicContact CZ-CG1 4Å; F272-I457 HydrophobicContact CZ-CG2 3.9Å; L274-I457 HydrophobicContact CD1-CG1 3.92Å; R385-I457 WeakPolarHBondContact O-CD1 3.23Å; A387-I457 HydrophobicContact CB-CB 4.21Å; A387-I457 HydrophobicContact CB-CD1 4.12Å; A387-I457 HydrophobicContact CB-CG1 4.1Å; I457-N462 WeakPolarHBondContact CG2-ND2 3.46Å
458Q87.7Confident81.8Confident35 Ų3559 Ų5916%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-114.6124.7179.2-61.7179.2200111.1F264 P267 F272 R273F264-Q458 HydrophobicContact CE1-CG 4.45Å; P267-Q458 HydrophobicContact CG-CB 4.19Å; F272-Q458 WeakPolarHBondContact CD2-O 3.29Å; R273-Q458 HydrophobicContact CB-CB 4.29Å; R273-Q458 PolarHBondContact N-O 2.66Å; R273-Q458 PolarHBondContact O-N 2.88Å
459S84.2Confident79.7Confident14 Ų1461.4 Ų61.410%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-154.7151.8170.269.40000110.5S461 N462 L463S459-S461 VanDerWaalsContact C-N 3.26Å; S459-S461 PolarHBondContact O-N 3.02Å; S459-N462 PolarHBondContact O-N 3.08Å; S459-N462 WeakPolarHBondContact OG-CB 3.33Å; S459-N462 PolarHBondContact OG-N 2.92Å; S459-N462 VanDerWaalsContact OG-N 3.13Å; S459-N462 PolarHBondContact OG-ND2 3.22Å; S459-L463 PolarHBondContact O-N 2.62Å; S459-L463 VanDerWaalsContact O-N 3.08Å
460W75.6Confident77.1Confident55 Ų5565.1 Ų65.121%0.20834%0.341CS..Hα-helixtrans-61.3-37.6174.2-77.388.4000111.9M266 P267 E269 N462 L463 Y464M266-W460 HydrophobicContact CB-CZ2 4.11Å; M266-W460 HydrophobicContact CE-CD2 4.27Å; M266-W460 HydrophobicContact CE-CG 4.38Å; P267-W460 VanDerWaalsContact O-CD1 3.24Å; P267-W460 PolarHBondContact O-NE1 3.42Å; E269-W460 HydrophobicContact CB-CG 4.39Å; E269-W460 HydrophobicContact CG-CD2 4.08Å; E269-W460 HydrophobicContact CG-CG 4.05Å; W460-N462 VanDerWaalsContact C-N 3.32Å; W460-N462 PolarHBondContact O-N 2.82Å; W460-L463 HydrophobicContact CE3-CD2 4.01Å; W460-L463 HydrophobicContact CZ3-CD2 4Å; W460-L463 WeakPolarHBondContact O-CB 3.25Å; W460-L463 PolarHBondContact O-N 2.91Å; W460-Y464 HydrophobicContact CB-CD2 4.37Å; W460-Y464 HydrophobicContact CB-CE2 4.03Å; W460-Y464 HydrophobicContact CE3-CE2 4.08Å; W460-Y464 AromaticContact CE3-CZ 3.84Å; W460-Y464 WeakPolarHBondContact O-CD2 3.41Å; W460-Y464 PolarHBondContact O-N 2.95Å
461S73.6Confident74.5Confident84 Ų8466 Ų6659%0.58736%0.355SS*.Hα-helixtrans-58.7-41.7175.2-57.90000112.5S459 R465S459-S461 VanDerWaalsContact C-N 3.26Å; S459-S461 PolarHBondContact O-N 3.02Å; S461-R465 WeakPolarHBondContact O-CB 3.27Å; S461-R465 PolarHBondContact O-N 3.46Å; S461-R465 VanDerWaalsContact O-N 3.14Å
462N71Confident72Confident39 Ų3969.4 Ų69.421%0.20938%0.376CS..Hα-helixtrans-67.4-42.1175.5-75.9-20.5000111.6I457 S459 W460 R465 T466I457-N462 WeakPolarHBondContact CG2-ND2 3.46Å; S459-N462 PolarHBondContact O-N 3.08Å; S459-N462 WeakPolarHBondContact OG-CB 3.33Å; S459-N462 PolarHBondContact OG-N 2.92Å; S459-N462 VanDerWaalsContact OG-N 3.13Å; S459-N462 PolarHBondContact OG-ND2 3.22Å; W460-N462 VanDerWaalsContact C-N 3.32Å; W460-N462 PolarHBondContact O-N 2.82Å; N462-R465 PolarHBondContact O-N 3.26Å; N462-R465 VanDerWaalsContact OD1-CZ 3.31Å; N462-R465 PolarHBondContact OD1-NH1 2.62Å; N462-R465 PolarHBondContact OD1-NH2 2.78Å; N462-T466 PolarHBondContact O-N 2.86Å; N462-T466 PolarHBondContact O-OG1 2.94Å; N462-T466 VanDerWaalsContact O-OG1 3.08Å
463L68.3Low69.5Low73 Ų7373.8 Ų73.838%0.38241%0.407SS..Hα-helixtrans-60-48.8177-177.967.9000111.7M266 S459 W460 R465 T466 M467M266-L463 HydrophobicContact CE-CD2 4.19Å; S459-L463 PolarHBondContact O-N 2.62Å; S459-L463 VanDerWaalsContact O-N 3.08Å; W460-L463 HydrophobicContact CE3-CD2 4.01Å; W460-L463 HydrophobicContact CZ3-CD2 4Å; W460-L463 WeakPolarHBondContact O-CB 3.25Å; W460-L463 PolarHBondContact O-N 2.91Å; L463-R465 VanDerWaalsContact C-N 3.3Å; L463-R465 PolarHBondContact O-N 2.68Å; L463-T466 PolarHBondContact O-N 2.88Å; L463-M467 HydrophobicContact CD1-CG 4.42Å; L463-M467 HydrophobicContact CG-CG 4.49Å; L463-M467 WeakPolarHBondContact O-CB 3.18Å; L463-M467 WeakPolarHBondContact O-CG 3.49Å; L463-M467 PolarHBondContact O-N 2.79Å
464Y66.2Low66.9Low91 Ų9174.5 Ų74.536%0.35741%0.414SS..Hα-helixtrans-61.3-38.5178.3-70.6-52.9000112.2W460 S468W460-Y464 HydrophobicContact CB-CD2 4.37Å; W460-Y464 HydrophobicContact CB-CE2 4.03Å; W460-Y464 HydrophobicContact CE3-CE2 4.08Å; W460-Y464 AromaticContact CE3-CZ 3.84Å; W460-Y464 WeakPolarHBondContact O-CD2 3.41Å; W460-Y464 PolarHBondContact O-N 2.95Å; Y464-S468 WeakPolarHBondContact O-CB 3.37Å; Y464-S468 PolarHBondContact O-N 3.06Å; Y464-S468 PolarHBondContact O-OG 3Å
465R62.7Low64.6Low134 Ų13477 Ų7751%0.50643%0.427SS..Hα-helixtrans-63.8-43.4176-172.3179.168.1-129.4-3.9111.6S461 N462 L463 K469S461-R465 WeakPolarHBondContact O-CB 3.27Å; S461-R465 PolarHBondContact O-N 3.46Å; S461-R465 VanDerWaalsContact O-N 3.14Å; N462-R465 PolarHBondContact O-N 3.26Å; N462-R465 VanDerWaalsContact OD1-CZ 3.31Å; N462-R465 PolarHBondContact OD1-NH1 2.62Å; N462-R465 PolarHBondContact OD1-NH2 2.78Å; L463-R465 VanDerWaalsContact C-N 3.3Å; L463-R465 PolarHBondContact O-N 2.68Å; R465-K469 WeakPolarHBondContact O-CB 3.45Å; R465-K469 WeakPolarHBondContact O-CG 3.45Å; R465-K469 PolarHBondContact O-N 3.03Å; R465-K469 VanDerWaalsContact O-N 3.1Å
466T60.7Low62.3Low82 Ų8282.8 Ų82.850%0.50345%0.453SS..Hα-helixtrans-67.8-45.3179.1-55.80000111.5N462 L463 S468 K469 C470N462-T466 PolarHBondContact O-N 2.86Å; N462-T466 PolarHBondContact O-OG1 2.94Å; N462-T466 VanDerWaalsContact O-OG1 3.08Å; L463-T466 PolarHBondContact O-N 2.88Å; T466-S468 VanDerWaalsContact C-N 3.3Å; T466-S468 PolarHBondContact O-N 2.8Å; T466-K469 PolarHBondContact O-N 2.88Å; T466-K469 VanDerWaalsContact O-N 3.12Å; T466-C470 PolarHBondContact O-N 2.64Å; T466-C470 VanDerWaalsContact O-N 3.16Å
467M56.5Low60.2Low121 Ų12188 Ų8860%0.59647%0.469SS*.Hα-helixtrans-60.6-38.5176.2-72.8-72-7700112.4L463 K469L463-M467 HydrophobicContact CD1-CG 4.42Å; L463-M467 HydrophobicContact CG-CG 4.49Å; L463-M467 WeakPolarHBondContact O-CB 3.18Å; L463-M467 WeakPolarHBondContact O-CG 3.49Å; L463-M467 PolarHBondContact O-N 2.79Å; M467-K469 VanDerWaalsContact C-N 3.33Å
468S54.6Low58.2Low102 Ų10289.9 Ų89.971%0.71348%0.476SS*.Hα-helixtrans-70.9-29.7177.3-55.30000112.6Y464 T466Y464-S468 WeakPolarHBondContact O-CB 3.37Å; Y464-S468 PolarHBondContact O-N 3.06Å; Y464-S468 PolarHBondContact O-OG 3Å; T466-S468 VanDerWaalsContact C-N 3.3Å; T466-S468 PolarHBondContact O-N 2.8Å
469K50.2Low56.2Low153 Ų15395.2 Ų95.267%0.66550%0.495SS*.Hα-helixtrans-79.5-21.8179.8-82.6-173.1179.3-169.40113.6R465 T466 M467 P471R465-K469 WeakPolarHBondContact O-CB 3.45Å; R465-K469 WeakPolarHBondContact O-CG 3.45Å; R465-K469 PolarHBondContact O-N 3.03Å; R465-K469 VanDerWaalsContact O-N 3.1Å; T466-K469 PolarHBondContact O-N 2.88Å; T466-K469 VanDerWaalsContact O-N 3.12Å; M467-K469 VanDerWaalsContact C-N 3.33Å; K469-P471 WeakPolarHBondContact O-CD 3.21Å; K469-P471 VanDerWaalsContact O-N 3.13Å
470C43Very low54.5Low78 Ų78102.9 Ų102.953%0.52752%0.522SS..  trans-71.797.9170.7-74.80000108.1T466 T472T466-C470 PolarHBondContact O-N 2.64Å; T466-C470 VanDerWaalsContact O-N 3.16Å; C470-T472 PolarHBondContact O-N 3.02Å
471P41.7Very low53.2Low103 Ų103104 Ų10467%0.66953%0.531SS*.  trans-77.493.6168.916.16.5000102K469 T473K469-P471 WeakPolarHBondContact O-CD 3.21Å; K469-P471 VanDerWaalsContact O-N 3.13Å; P471-T473 PolarHBondContact O-N 3.42Å; P471-T473 PolarHBondContact O-OG1 2.91Å
472T45.6Very low51.9Low71 Ų71102.7 Ų102.744%0.43653%0.525SS..  trans-60.294.1160.255.70000104.5C470 G474C470-T472 PolarHBondContact O-N 3.02Å; T472-G474 PolarHBondContact O-N 2.99Å
473T44.5Very low50.8Low147 Ų147105.1 Ų105.190%0.90254%0.538SS*.  trans-62.68.4161.622.80000111P471P471-T473 PolarHBondContact O-N 3.42Å; P471-T473 PolarHBondContact O-OG1 2.91Å
474G43.5Very low49.8Very low15 Ų15105.3 Ų105.316%0.15555%0.55CS..  trans-61.9124.2161.500000112.6T472T472-G474 PolarHBondContact O-N 2.99Å
475D48.8Very low49Very low126 Ų126107.2 Ų107.267%0.67456%0.561SS**  trans-29146.5156-159.26.3000112.5K477 Q478D475-K477 PolarHBondContact O-N 2.85Å; D475-Q478 WeakPolarHBondContact O-CB 3.19Å; D475-Q478 PolarHBondContact O-N 3.33Å
476E48.1Very low48.4Very low131 Ų131103.5 Ų103.561%0.61255%0.551SS**Hα-helixtrans-48.8-28.9-174.3-81.8-166.1141.600113.5Q478 R479 R480E476-Q478 PolarHBondContact O-N 2.75Å; E476-R479 WeakPolarHBondContact O-CB 3.15Å; E476-R479 PolarHBondContact O-N 3.47Å; E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 2.59Å
477K47.5Very low48Very low152 Ų152102.5 Ų102.566%0.66154%0.542SS*.Hα-helixtrans-60.4-39.9175.4-151.1177.5-174.9-1760113D475 R480 I481D475-K477 PolarHBondContact O-N 2.85Å; K477-R480 PolarHBondContact O-N 2.95Å; K477-I481 VanDerWaalsContact O-CG1 3.31Å; K477-I481 WeakPolarHBondContact O-CG1 3.38Å; K477-I481 PolarHBondContact O-N 2.99Å
478Q48.7Very low48Very low81 Ų81101.3 Ų101.338%0.37954%0.542SS..Hα-helixtrans-70.5-37.2176-70.3-175.4-1.800111.8D475 E476 R480 I481 A482D475-Q478 WeakPolarHBondContact O-CB 3.19Å; D475-Q478 PolarHBondContact O-N 3.33Å; E476-Q478 PolarHBondContact O-N 2.75Å; Q478-R480 VanDerWaalsContact C-N 3.32Å; Q478-R480 PolarHBondContact O-N 3.1Å; Q478-I481 PolarHBondContact O-N 2.72Å; Q478-A482 WeakPolarHBondContact O-CB 3.19Å; Q478-A482 PolarHBondContact O-N 2.97Å
479R45.7Very low48.2Very low148 Ų14899.3 Ų99.356%0.55853%0.527SS*.Hα-helixtrans-59.3-45.1169-76.8-178174.8173.4-0.3110.8E476 I481 A482 L483E476-R479 WeakPolarHBondContact O-CB 3.15Å; E476-R479 PolarHBondContact O-N 3.47Å; R479-I481 VanDerWaalsContact C-N 3.34Å; R479-I481 PolarHBondContact O-N 3.45Å; R479-A482 PolarHBondContact O-N 3.12Å; R479-L483 HydrophobicContact CB-CD1 4.47Å; R479-L483 WeakPolarHBondContact O-CB 3.04Å; R479-L483 WeakPolarHBondContact O-CD1 3.06Å; R479-L483 WeakPolarHBondContact O-CG 3.47Å; R479-L483 PolarHBondContact O-N 2.63Å
480R48.2Very low48.5Very low175 Ų17594.4 Ų94.466%0.6651%0.51SS*.Hα-helixtrans-62.5-38.4177.1-73.2-175.5-172.8-166.94.3112.5E476 K477 Q478 A484E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 2.59Å; K477-R480 PolarHBondContact O-N 2.95Å; Q478-R480 VanDerWaalsContact C-N 3.32Å; Q478-R480 PolarHBondContact O-N 3.1Å; R480-A484 WeakPolarHBondContact O-CA 3.34Å; R480-A484 WeakPolarHBondContact O-CB 3.48Å; R480-A484 PolarHBondContact O-N 3.09Å
481I48.5Very low49.2Very low78 Ų7894 Ų9440%0.450%0.502SS..Hα-helixtrans-69-49.3176.9-66.5163000110.3K477 Q478 R479 L483 A484 H485K477-I481 VanDerWaalsContact O-CG1 3.31Å; K477-I481 WeakPolarHBondContact O-CG1 3.38Å; K477-I481 PolarHBondContact O-N 2.99Å; Q478-I481 PolarHBondContact O-N 2.72Å; R479-I481 VanDerWaalsContact C-N 3.34Å; R479-I481 PolarHBondContact O-N 3.45Å; I481-L483 VanDerWaalsContact C-N 3.3Å; I481-L483 PolarHBondContact O-N 3.06Å; I481-A484 PolarHBondContact O-N 3.31Å; I481-A484 VanDerWaalsContact O-N 3.11Å; I481-H485 PolarHBondContact O-CD2 2.89Å; I481-H485 PolarHBondContact O-N 3.24Å
482A46.8Very low50.5Low56 Ų5693.2 Ų93.246%0.46349%0.491SS..Hα-helixtrans-59.9-40.5177.100000112.2Q478 R479 H485 M486Q478-A482 WeakPolarHBondContact O-CB 3.19Å; Q478-A482 PolarHBondContact O-N 2.97Å; R479-A482 PolarHBondContact O-N 3.12Å; A482-H485 PolarHBondContact O-N 3.25Å; A482-M486 PolarHBondContact O-N 2.78Å
483L46.6Very low51.5Low91 Ų9195 Ų9548%0.47649%0.493SS..Hα-helixtrans-70-36.6173.6-72166.2000112.3R479 I481 H485 M486R479-L483 HydrophobicContact CB-CD1 4.47Å; R479-L483 WeakPolarHBondContact O-CB 3.04Å; R479-L483 WeakPolarHBondContact O-CD1 3.06Å; R479-L483 WeakPolarHBondContact O-CG 3.47Å; R479-L483 PolarHBondContact O-N 2.63Å; I481-L483 VanDerWaalsContact C-N 3.3Å; I481-L483 PolarHBondContact O-N 3.06Å; L483-H485 PolarHBondContact O-N 3.15Å; L483-M486 HydrophobicContact CD2-SD 3.8Å; L483-M486 WeakPolarHBondContact O-CB 3.47Å; L483-M486 PolarHBondContact O-N 2.67Å
484A48.1Very low52.5Low76 Ų7690.5 Ų90.563%0.62847%0.471SS*.Hα-helixtrans-67.6-26.4176.400000112R480 I481R480-A484 WeakPolarHBondContact O-CA 3.34Å; R480-A484 WeakPolarHBondContact O-CB 3.48Å; R480-A484 PolarHBondContact O-N 3.09Å; I481-A484 PolarHBondContact O-N 3.31Å; I481-A484 VanDerWaalsContact O-N 3.11Å
485H48.8Very low54Low131 Ų13197.4 Ų97.461%0.60649%0.494SS*.THydrogen-bonded Turntrans-87-7.4171.7-68.9-65.7000113.5I481 A482 L483I481-H485 PolarHBondContact O-CD2 2.89Å; I481-H485 PolarHBondContact O-N 3.24Å; A482-H485 PolarHBondContact O-N 3.25Å; L483-H485 PolarHBondContact O-N 3.15Å
486M49.5Very low55.3Low57 Ų5797.1 Ų97.128%0.28149%0.488SS..SBendtrans-70.1137.3164.9-72.7-178.472.700108.9A482 L483 V488 T490 I491A482-M486 PolarHBondContact O-N 2.78Å; L483-M486 HydrophobicContact CD2-SD 3.8Å; L483-M486 WeakPolarHBondContact O-CB 3.47Å; L483-M486 PolarHBondContact O-N 2.67Å; M486-V488 PolarHBondContact O-N 3.2Å; M486-T490 HydrophobicContact CE-CG2 3.3Å; M486-I491 HydrophobicContact CB-CD1 4.46Å; M486-I491 HydrophobicContact CB-CG1 4.05Å
487D53.7Low56.6Low60 Ų6097.4 Ų97.432%0.32149%0.487SS..  trans-54140.1172.2-164.3-6.4000110.5K262 S489 T490 I491K262-D487 VanDerWaalsContact NZ-CB 3.29Å; K262-D487 IonicContact NZ-OD1 2.74Å; K262-D487 IonicContact NZ-OD2 2.91Å; K262-D487 PolarHBondContact NZ-OD2 3.08Å; D487-S489 PolarHBondContact O-N 2.99Å; D487-S489 VanDerWaalsContact O-N 3.12Å; D487-S489 PolarHBondContact OD1-N 3.26Å; D487-S489 PolarHBondContact OD2-OG 3.4Å; D487-T490 WeakPolarHBondContact CB-OG1 3.44Å; D487-T490 WeakPolarHBondContact O-CA 3.48Å; D487-T490 WeakPolarHBondContact O-CB 3.5Å; D487-T490 PolarHBondContact O-N 2.96Å; D487-I491 WeakPolarHBondContact O-CG1 3.12Å; D487-I491 PolarHBondContact O-N 3.18Å
488V56.6Low58Low97 Ų9792.9 Ų92.959%0.58848%0.479SS*.Hα-helixtrans-52.3-35.5173.21780000109.9M486 T490 I491 I492M486-V488 PolarHBondContact O-N 3.2Å; V488-T490 PolarHBondContact O-N 3.16Å; V488-I491 PolarHBondContact O-N 3.3Å; V488-I492 HydrophobicContact CG1-CD1 3.75Å; V488-I492 HydrophobicContact CG1-CG1 4.25Å; V488-I492 WeakPolarHBondContact O-CB 3.47Å; V488-I492 WeakPolarHBondContact O-CG1 3.33Å; V488-I492 PolarHBondContact O-N 3.49Å
489S57.5Low59.6Low59 Ų5996.7 Ų96.741%0.41349%0.49SS..Hα-helixtrans-60.8-43.5174.473.50000112.9D487 I492 K493D487-S489 PolarHBondContact O-N 2.99Å; D487-S489 VanDerWaalsContact O-N 3.12Å; D487-S489 PolarHBondContact OD1-N 3.26Å; D487-S489 PolarHBondContact OD2-OG 3.4Å; S489-I492 PolarHBondContact O-N 3.09Å; S489-K493 WeakPolarHBondContact O-CB 3.39Å; S489-K493 WeakPolarHBondContact O-CG 3.35Å; S489-K493 PolarHBondContact O-N 3.34Å
490T56.6Low61.1Low50 Ų5092.9 Ų92.931%0.30749%0.486SS..Hα-helixtrans-69.6-36.9177.7-36.30000111.1M486 D487 V488 K493 A494M486-T490 HydrophobicContact CE-CG2 3.3Å; D487-T490 WeakPolarHBondContact CB-OG1 3.44Å; D487-T490 WeakPolarHBondContact O-CA 3.48Å; D487-T490 WeakPolarHBondContact O-CB 3.5Å; D487-T490 PolarHBondContact O-N 2.96Å; V488-T490 PolarHBondContact O-N 3.16Å; T490-K493 PolarHBondContact O-N 3.02Å; T490-A494 VanDerWaalsContact O-CB 3.29Å; T490-A494 WeakPolarHBondContact O-CB 3.44Å; T490-A494 PolarHBondContact O-N 3.26Å
491I57.3Low62.7Low71 Ų7191.7 Ų91.736%0.36449%0.485SS..Hα-helixtrans-63.9-47.4173.6-61.6170.4000110.2M486 D487 V488 K493 A494 Y495M486-I491 HydrophobicContact CB-CD1 4.46Å; M486-I491 HydrophobicContact CB-CG1 4.05Å; D487-I491 WeakPolarHBondContact O-CG1 3.12Å; D487-I491 PolarHBondContact O-N 3.18Å; V488-I491 PolarHBondContact O-N 3.3Å; I491-K493 PolarHBondContact O-N 2.89Å; I491-A494 PolarHBondContact O-N 3.24Å; I491-Y495 WeakPolarHBondContact O-CB 3.49Å; I491-Y495 PolarHBondContact O-N 3.37Å
492I69.6Low64.2Low85 Ų8593.8 Ų93.844%0.43650%0.497SS..Hα-helixtrans-60.4-46.3177.4-70.5167000110.3V488 S489 Y495 Q496V488-I492 HydrophobicContact CG1-CD1 3.75Å; V488-I492 HydrophobicContact CG1-CG1 4.25Å; V488-I492 WeakPolarHBondContact O-CB 3.47Å; V488-I492 WeakPolarHBondContact O-CG1 3.33Å; V488-I492 PolarHBondContact O-N 3.49Å; S489-I492 PolarHBondContact O-N 3.09Å; I492-Y495 PolarHBondContact O-N 3.04Å; I492-Q496 HydrophobicContact CG2-CG 4.31Å; I492-Q496 WeakPolarHBondContact O-CB 3.43Å; I492-Q496 VanDerWaalsContact O-CG 3.32Å; I492-Q496 WeakPolarHBondContact O-CG 3.3Å; I492-Q496 PolarHBondContact O-N 3.46Å
493K66.1Low65.9Low108 Ų10895.5 Ų95.547%0.4750%0.497SS..Hα-helixtrans-61.4-44.4176.5-79.8-174.3171.9-166.60112.2E269 S489 T490 I491 Y495 Q496 K497E269-K493 IonicContact OE1-NZ 3.72Å; E269-K493 PolarHBondContact OE1-NZ 3.48Å; S489-K493 WeakPolarHBondContact O-CB 3.39Å; S489-K493 WeakPolarHBondContact O-CG 3.35Å; S489-K493 PolarHBondContact O-N 3.34Å; T490-K493 PolarHBondContact O-N 3.02Å; I491-K493 PolarHBondContact O-N 2.89Å; K493-Y495 VanDerWaalsContact C-N 3.31Å; K493-Y495 PolarHBondContact O-N 3.21Å; K493-Q496 PolarHBondContact O-N 2.88Å; K493-K497 WeakPolarHBondContact O-CB 3.33Å; K493-K497 PolarHBondContact O-N 3.32Å
494A66.5Low67.5Low54 Ų5497.1 Ų97.145%0.44650%0.503SS..Hα-helixtrans-61.7-41.4176.200000111.4T490 I491 K497 A498T490-A494 VanDerWaalsContact O-CB 3.29Å; T490-A494 WeakPolarHBondContact O-CB 3.44Å; T490-A494 PolarHBondContact O-N 3.26Å; I491-A494 PolarHBondContact O-N 3.24Å; A494-K497 PolarHBondContact O-N 3.42Å; A494-A498 WeakPolarHBondContact O-CB 3.24Å; A494-A498 PolarHBondContact O-N 3.49Å
495Y73.8Confident68.9Low159 Ų15997.1 Ų97.162%0.62450%0.495SS*.Hα-helixtrans-66.5-44.4177.1-167.6-90.4000112.1I491 I492 K493 K497 A498 R499I491-Y495 WeakPolarHBondContact O-CB 3.49Å; I491-Y495 PolarHBondContact O-N 3.37Å; I492-Y495 PolarHBondContact O-N 3.04Å; K493-Y495 VanDerWaalsContact C-N 3.31Å; K493-Y495 PolarHBondContact O-N 3.21Å; Y495-K497 VanDerWaalsContact C-N 3.34Å; Y495-K497 PolarHBondContact O-N 3.38Å; Y495-A498 PolarHBondContact O-N 3.42Å; Y495-R499 VanDerWaalsContact O-CB 3.29Å; Y495-R499 WeakPolarHBondContact O-CB 2.99Å; Y495-R499 PolarHBondContact O-N 2.87Å
496Q77.1Confident70.4Confident121 Ų12198.1 Ų98.157%0.56549%0.493SS*.Hα-helixtrans-60-44.3174.7-75.9176.8-800111.2I492 K493 R499 S500I492-Q496 HydrophobicContact CG2-CG 4.31Å; I492-Q496 WeakPolarHBondContact O-CB 3.43Å; I492-Q496 VanDerWaalsContact O-CG 3.32Å; I492-Q496 WeakPolarHBondContact O-CG 3.3Å; I492-Q496 PolarHBondContact O-N 3.46Å; K493-Q496 PolarHBondContact O-N 2.88Å; Q496-R499 PolarHBondContact O-N 3.34Å; Q496-S500 WeakPolarHBondContact O-CB 3.16Å; Q496-S500 PolarHBondContact O-N 3.25Å
497K75.8Confident71.7Confident136 Ų136102.9 Ų102.959%0.59151%0.512SS*.Hα-helixtrans-63.2-45176.2-170.9172.8-175170.90111.9K493 A494 Y495 S500 K501K493-K497 WeakPolarHBondContact O-CB 3.33Å; K493-K497 PolarHBondContact O-N 3.32Å; A494-K497 PolarHBondContact O-N 3.42Å; Y495-K497 VanDerWaalsContact C-N 3.34Å; Y495-K497 PolarHBondContact O-N 3.38Å; K497-S500 PolarHBondContact O-N 3.01Å; K497-K501 WeakPolarHBondContact O-CB 3.46Å; K497-K501 PolarHBondContact O-N 2.89Å
498A77.3Confident72.8Confident58 Ų58104.4 Ų104.448%0.47952%0.524SS..Hα-helixtrans-61.5-44.7176.200000111.5A494 Y495 K501 L502A494-A498 WeakPolarHBondContact O-CB 3.24Å; A494-A498 PolarHBondContact O-N 3.49Å; Y495-A498 PolarHBondContact O-N 3.42Å; A498-K501 PolarHBondContact O-N 3.2Å; A498-L502 PolarHBondContact O-N 2.84Å
499R80.6Confident73.7Confident160 Ų160105.4 Ų105.460%0.60453%0.525SS*.Hα-helixtrans-62.6-42.8176.8-175.2175.2177165.5-0.5112.2Y495 Q496 K501 L502 L503Y495-R499 VanDerWaalsContact O-CB 3.29Å; Y495-R499 WeakPolarHBondContact O-CB 2.99Å; Y495-R499 PolarHBondContact O-N 2.87Å; Q496-R499 PolarHBondContact O-N 3.34Å; R499-K501 VanDerWaalsContact C-N 3.33Å; R499-K501 PolarHBondContact O-N 2.89Å; R499-L502 WeakPolarHBondContact O-CB 3.45Å; R499-L502 PolarHBondContact O-N 3.1Å; R499-L503 HydrophobicContact CG-CD1 4.28Å; R499-L503 WeakPolarHBondContact O-CG 3.45Å; R499-L503 PolarHBondContact O-N 2.98Å
500S79Confident74.5Confident68 Ų68107.5 Ų107.548%0.47653%0.528SS..Hα-helixtrans-62.6-42.3177-1540000111.3Q496 K497 L502 L503 E504Q496-S500 WeakPolarHBondContact O-CB 3.16Å; Q496-S500 PolarHBondContact O-N 3.25Å; K497-S500 PolarHBondContact O-N 3.01Å; S500-L502 VanDerWaalsContact C-N 3.33Å; S500-L502 PolarHBondContact O-N 3.12Å; S500-L503 PolarHBondContact O-N 3.25Å; S500-E504 PolarHBondContact O-N 2.69Å
501K80.1Confident75Confident150 Ų150106.9 Ų106.965%0.65253%0.531SS*.Hα-helixtrans-64.2-37.4176.4-153.9177.2-172.4-176.20112.4K497 A498 R499 E504 T505K497-K501 WeakPolarHBondContact O-CB 3.46Å; K497-K501 PolarHBondContact O-N 2.89Å; A498-K501 PolarHBondContact O-N 3.2Å; R499-K501 VanDerWaalsContact C-N 3.33Å; R499-K501 PolarHBondContact O-N 2.89Å; K501-E504 PolarHBondContact O-N 3.44Å; K501-T505 PolarHBondContact O-N 2.91Å; K501-T505 PolarHBondContact O-OG1 3.33Å
502L81.4Confident75.3Confident123 Ų123108.3 Ų108.364%0.64454%0.539SS*.Hα-helixtrans-65.4-40.2174-123.8167.9000111.9A498 R499 S500 T505 R506A498-L502 PolarHBondContact O-N 2.84Å; R499-L502 WeakPolarHBondContact O-CB 3.45Å; R499-L502 PolarHBondContact O-N 3.1Å; S500-L502 VanDerWaalsContact C-N 3.33Å; S500-L502 PolarHBondContact O-N 3.12Å; L502-T505 WeakPolarHBondContact CA-OG1 3.48Å; L502-T505 PolarHBondContact O-OG1 2.98Å; L502-T505 VanDerWaalsContact O-OG1 3.14Å; L502-R506 WeakPolarHBondContact O-CB 3.25Å; L502-R506 PolarHBondContact O-N 2.76Å
503L82.5Confident74.7Confident91 Ų91106 Ų10648%0.47654%0.537SS..Hα-helixtrans-68.8-38.9175.9-72.8167.1000112.1R499 S500 R506 K507R499-L503 HydrophobicContact CG-CD1 4.28Å; R499-L503 WeakPolarHBondContact O-CG 3.45Å; R499-L503 PolarHBondContact O-N 2.98Å; S500-L503 PolarHBondContact O-N 3.25Å; L503-R506 PolarHBondContact O-N 3.48Å; L503-K507 WeakPolarHBondContact O-CG 3.45Å; L503-K507 PolarHBondContact O-N 2.96Å
504E80.2Confident74.2Confident125 Ų125109.3 Ų109.358%0.58455%0.551SS**Hα-helixtrans-62.6-48172.6-80-179.9161.600111.7S500 K501 R506 K507 V508S500-E504 PolarHBondContact O-N 2.69Å; K501-E504 PolarHBondContact O-N 3.44Å; E504-R506 VanDerWaalsContact C-N 3.28Å; E504-R506 PolarHBondContact O-N 3.11Å; E504-K507 WeakPolarHBondContact O-CB 3.36Å; E504-K507 PolarHBondContact O-N 3.2Å; E504-K507 VanDerWaalsContact O-N 3.14Å; E504-V508 WeakPolarHBondContact O-CG2 3.17Å; E504-V508 PolarHBondContact O-N 3.11Å
505T77.6Confident73.5Confident76 Ų76113.5 Ų113.547%0.46657%0.565SS.*Hα-helixtrans-61.8-38.1176.524.70000111.8K501 L502 V508 I509K501-T505 PolarHBondContact O-N 2.91Å; K501-T505 PolarHBondContact O-OG1 3.33Å; L502-T505 WeakPolarHBondContact CA-OG1 3.48Å; L502-T505 PolarHBondContact O-OG1 2.98Å; L502-T505 VanDerWaalsContact O-OG1 3.14Å; T505-V508 PolarHBondContact O-N 3.34Å; T505-I509 VanDerWaalsContact O-CG1 3.3Å; T505-I509 WeakPolarHBondContact O-CG1 3.41Å; T505-I509 PolarHBondContact O-N 3.03Å
506R78.6Confident72.4Confident152 Ų152112.8 Ų112.857%0.57457%0.573SS**Hα-helixtrans-61.4-44.1173.1-175.9175.2176.8165.63.1112.3L502 L503 E504 V508 I509 E510L502-R506 WeakPolarHBondContact O-CB 3.25Å; L502-R506 PolarHBondContact O-N 2.76Å; L503-R506 PolarHBondContact O-N 3.48Å; E504-R506 VanDerWaalsContact C-N 3.28Å; E504-R506 PolarHBondContact O-N 3.11Å; R506-V508 VanDerWaalsContact C-N 3.3Å; R506-V508 PolarHBondContact O-N 2.71Å; R506-I509 PolarHBondContact O-N 3.18Å; R506-E510 HydrophobicContact CG-CG 4.38Å; R506-E510 IonicContact CZ-OE1 2.66Å; R506-E510 IonicContact NE-OE1 2.72Å; R506-E510 PolarHBondContact NE-OE1 3.02Å; R506-E510 IonicContact NH2-OE1 3.45Å; R506-E510 PolarHBondContact NH2-OE1 3.03Å; R506-E510 WeakPolarHBondContact O-CB 3.37Å; R506-E510 WeakPolarHBondContact O-CG 3.38Å; R506-E510 PolarHBondContact O-N 3.35Å
507K77.3Confident70.8Confident157 Ų157117.1 Ų117.168%0.68360%0.599SS**Hα-helixtrans-60.9-38.5174.9-75.8-179.5179.1-1780112.2L503 E504 G511L503-K507 WeakPolarHBondContact O-CG 3.45Å; L503-K507 PolarHBondContact O-N 2.96Å; E504-K507 WeakPolarHBondContact O-CB 3.36Å; E504-K507 PolarHBondContact O-N 3.2Å; E504-K507 VanDerWaalsContact O-N 3.14Å; K507-G511 PolarHBondContact O-N 3.5Å
508V77.8Confident70.5Confident93 Ų93116.2 Ų116.256%0.56460%0.599SS**Hα-helixtrans-64.5-44.4175.3173.90000111E504 T505 R506 G511 L512E504-V508 WeakPolarHBondContact O-CG2 3.17Å; E504-V508 PolarHBondContact O-N 3.11Å; T505-V508 PolarHBondContact O-N 3.34Å; R506-V508 VanDerWaalsContact C-N 3.3Å; R506-V508 PolarHBondContact O-N 2.71Å; V508-G511 PolarHBondContact O-N 3.04Å; V508-L512 HydrophobicContact CG1-CD1 4.04Å; V508-L512 WeakPolarHBondContact O-CG 3.48Å; V508-L512 PolarHBondContact O-N 3.33Å
509I74.7Confident70.2Confident118 Ų118119.3 Ų119.361%0.60561%0.605SS**Hα-helixtrans-65.4-45.3177.8-66.6165.6000111.3T505 R506 G511 L512 G513T505-I509 VanDerWaalsContact O-CG1 3.3Å; T505-I509 WeakPolarHBondContact O-CG1 3.41Å; T505-I509 PolarHBondContact O-N 3.03Å; R506-I509 PolarHBondContact O-N 3.18Å; I509-G511 VanDerWaalsContact C-N 3.31Å; I509-G511 PolarHBondContact O-N 3.47Å; I509-L512 PolarHBondContact O-N 2.93Å; I509-G513 PolarHBondContact O-N 2.99Å
510E74.7Confident69.6Low102 Ų102117 Ų11748%0.47761%0.605SS.*Hα-helixtrans-66.1-34.1176.9-72.7176.3-177.400111.8R506 G513 K514R506-E510 HydrophobicContact CG-CG 4.38Å; R506-E510 IonicContact CZ-OE1 2.66Å; R506-E510 IonicContact NE-OE1 2.72Å; R506-E510 PolarHBondContact NE-OE1 3.02Å; R506-E510 IonicContact NH2-OE1 3.45Å; R506-E510 PolarHBondContact NH2-OE1 3.03Å; R506-E510 WeakPolarHBondContact O-CB 3.37Å; R506-E510 WeakPolarHBondContact O-CG 3.38Å; R506-E510 PolarHBondContact O-N 3.35Å; E510-G513 PolarHBondContact O-N 2.98Å; E510-K514 PolarHBondContact O-N 3Å
511G66.1Low69.1Low37 Ų37119.9 Ų119.938%0.38161%0.613SS.*Hα-helixtrans-66-40.6172.700000113K507 V508 I509 G513 K514K507-G511 PolarHBondContact O-N 3.5Å; V508-G511 PolarHBondContact O-N 3.04Å; I509-G511 VanDerWaalsContact C-N 3.31Å; I509-G511 PolarHBondContact O-N 3.47Å; G511-G513 VanDerWaalsContact C-N 3.34Å; G511-K514 PolarHBondContact O-N 3.3Å
512L63.7Low68.4Low101 Ų101118 Ų11853%0.52961%0.611SS.*Hα-helixtrans-66.2-36173.4-77.2161.3000112V508 I509 K514 L515V508-L512 HydrophobicContact CG1-CD1 4.04Å; V508-L512 WeakPolarHBondContact O-CG 3.48Å; V508-L512 PolarHBondContact O-N 3.33Å; I509-L512 PolarHBondContact O-N 2.93Å; L512-K514 VanDerWaalsContact C-N 3.31Å; L512-K514 PolarHBondContact O-N 3.49Å; L512-L515 PolarHBondContact O-N 2.93Å
513G57.1Low67.5Low38 Ų38117.7 Ų117.739%0.39261%0.608SS.*Hα-helixtrans-64.2-32176.400000113.8I509 E510 G511 L515I509-G513 PolarHBondContact O-N 2.99Å; E510-G513 PolarHBondContact O-N 2.98Å; G511-G513 VanDerWaalsContact C-N 3.34Å; G513-L515 VanDerWaalsContact C-N 3.34Å
514K56Low66.4Low176 Ų176119.6 Ų119.677%0.76562%0.618SS**THydrogen-bonded Turntrans-79.4-11.1176.5-75.8-171.5177.1-175.70114.7E510 G511 L512E510-K514 PolarHBondContact O-N 3Å; G511-K514 PolarHBondContact O-N 3.3Å; L512-K514 VanDerWaalsContact C-N 3.31Å; L512-K514 PolarHBondContact O-N 3.49Å
515L53Low65.4Low142 Ų142119.2 Ų119.274%0.74362%0.62SS**THydrogen-bonded Turntrans-90.7-13.8174-87.3153.9000112.7L512 G513L512-L515 PolarHBondContact O-N 2.93Å; G513-L515 VanDerWaalsContact C-N 3.34Å
516N49.7Very low64.3Low145 Ų145122.8 Ų122.878%0.77563%0.633SS**  trans-106.17.4-179.2-74.4-21.7000113.9
517L43.4Very low63Low212 Ų212120.1 Ų120.1100%1.1164%0.639SS**  trans-120.60169.2-81162.1000107.7

Retrieved 517 of 517 residues in 288.6 ms (Link to these results)

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