A0A087YJQ8_POEFO Loading...

Notchless protein homolog 1

AlphaFold DB , UniProt , Accession A0A087YJQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 430 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
1M39.6Very low64.5Low246 Ų246118 Ų118100%1.21261%0.606SS**  079.80-75.1172.8168.100106.9
2T38.6Very low66.7Low134 Ų134111.3 Ų111.382%0.82257%0.57SS**  trans-86.6115172.941.20000106.5E4T2-E4 PolarHBondContact O-N 3.08Å; T2-E4 VanDerWaalsContact O-N 3.08Å
3S45.1Very low68.5Low105 Ų105102.8 Ų102.873%0.73453%0.526SS*.  trans-59.6105.7163.946.30000107.2D5S3-D5 PolarHBondContact O-N 3.14Å; S3-D5 VanDerWaalsContact O-N 3.14Å
4E51.8Low70.1Confident173 Ų17399 Ų9981%0.80851%0.505SS*.  trans-59.3115.4161.3-75.7176.9159.900106.1T2 V6T2-E4 PolarHBondContact O-N 3.08Å; T2-E4 VanDerWaalsContact O-N 3.08Å; E4-V6 PolarHBondContact O-N 3.03Å
5D52.5Low70.9Confident155 Ų15594.2 Ų94.283%0.82948%0.481SS*.  trans-62.291171.4-80-40.1000107.5S3 E7S3-D5 PolarHBondContact O-N 3.14Å; S3-D5 VanDerWaalsContact O-N 3.14Å; D5-E7 PolarHBondContact O-N 2.81Å
6V66.1Low71.3Confident81 Ų8196.1 Ų96.149%0.49149%0.488SS..  trans-67.3107.2176.3-178.70000106.7E4 R8 P28E4-V6 PolarHBondContact O-N 3.03Å; V6-R8 WeakPolarHBondContact O-CG 3.39Å; V6-R8 PolarHBondContact O-N 3.23Å; V6-P28 HydrophobicContact CG1-CB 3.64Å
7E74.8Confident71.5Confident148 Ų14898.6 Ų98.669%0.69250%0.502SS*.  trans-51.7131.6173.6-73.3-177.3167.600109.7D5 V29D5-E7 PolarHBondContact O-N 2.81Å; E7-V29 HydrophobicContact CB-CB 4.48Å; E7-V29 HydrophobicContact CB-CG2 3.69Å; E7-V29 WeakPolarHBondContact O-CG2 3.38Å; E7-V29 PolarHBondContact O-N 3.29Å
8R82.1Confident71.8Confident182 Ų18295.5 Ų95.569%0.68750%0.499SS*.EExtended strand (participates in β ladder)trans-115.8146-177.5-63.5-171.2178.7-173.7-1.1110.5V6 V27V6-R8 WeakPolarHBondContact O-CG 3.39Å; V6-R8 PolarHBondContact O-N 3.23Å; R8-V27 CarbonylContact C-O 3.59Å; R8-V27 WeakPolarHBondContact CA-O 3.43Å
9L82.9Confident72.5Confident9 Ų997.8 Ų97.85%0.04751%0.507CS..EExtended strand (participates in β ladder)trans-121.9137.3179.3-68.9163.3000109.4I11 D26 V27 V29 L66 I70 T77L9-I11 HydrophobicContact CB-CG2 4.32Å; L9-D26 WeakPolarHBondContact O-CA 3.19Å; L9-V27 HydrophobicContact CB-CG2 4.4Å; L9-V27 PolarHBondContact N-O 3Å; L9-V27 PolarHBondContact O-N 3.04Å; L9-V29 HydrophobicContact CD1-CB 4.26Å; L9-V29 HydrophobicContact CD1-CG2 3.57Å; L9-V29 HydrophobicContact CD2-CG2 4.49Å; L9-V29 HydrophobicContact CG-CG2 3.66Å; L9-L66 HydrophobicContact CD1-CD2 3.87Å; L9-L66 HydrophobicContact CD1-CG 4.43Å; L9-I70 HydrophobicContact CD1-CD1 3.24Å; L9-I70 HydrophobicContact CD2-CD1 4.29Å; L9-I70 HydrophobicContact CG-CD1 4.38Å; L9-T77 HydrophobicContact CD2-CG2 3.81Å
10L87.4Confident73.3Confident65 Ų6597.1 Ų97.134%0.3451%0.507SS..EExtended strand (participates in β ladder)trans-86.3111.6173.4-170.863.8000108.6P24 D26 V80 L81L10-P24 HydrophobicContact CD1-CB 3.98Å; L10-P24 HydrophobicContact CG-CB 4.11Å; L10-D26 WeakPolarHBondContact CD1-OD1 3.11Å; L10-V80 HydrophobicContact CD2-CG2 3.62Å; L10-V80 HydrophobicContact CG-CG2 4.08Å; L10-V80 WeakPolarHBondContact O-CA 3.36Å; L10-L81 PolarHBondContact O-N 3.11Å
11I89Confident73.9Confident0 Ų094 Ų940%049%0.491CS..EExtended strand (participates in β ladder)trans-114.7154.8-177.868.2162000111.6L9 F13 P24 F25 V27 L36 L66 L81 V83L9-I11 HydrophobicContact CB-CG2 4.32Å; I11-F13 HydrophobicContact CD1-CE1 4.42Å; I11-F13 HydrophobicContact CD1-CZ 4.32Å; I11-P24 WeakPolarHBondContact O-CA 3.35Å; I11-F25 HydrophobicContact CD1-CE1 4.22Å; I11-F25 HydrophobicContact CD1-CE2 3.9Å; I11-F25 HydrophobicContact CD1-CZ 3.56Å; I11-F25 HydrophobicContact CG1-CD1 4.49Å; I11-F25 HydrophobicContact CG1-CD2 4.39Å; I11-F25 HydrophobicContact CG1-CE1 4.06Å; I11-F25 HydrophobicContact CG1-CE2 3.98Å; I11-F25 HydrophobicContact CG1-CZ 3.78Å; I11-F25 PolarHBondContact N-O 3.35Å; I11-F25 PolarHBondContact O-N 3.22Å; I11-V27 HydrophobicContact CB-CG2 4.3Å; I11-V27 HydrophobicContact CD1-CB 4.35Å; I11-V27 HydrophobicContact CD1-CG1 3.69Å; I11-V27 HydrophobicContact CD1-CG2 3.72Å; I11-V27 HydrophobicContact CG1-CB 4.49Å; I11-V27 HydrophobicContact CG1-CG1 3.94Å; I11-V27 HydrophobicContact CG1-CG2 3.74Å; I11-V27 HydrophobicContact CG2-CG2 3.58Å; I11-L36 HydrophobicContact CD1-CD2 3.64Å; I11-L66 HydrophobicContact CG2-CD2 3.86Å; I11-L81 WeakPolarHBondContact CA-O 3.36Å; I11-L81 HydrophobicContact CG2-CB 4.25Å; I11-L81 HydrophobicContact CG2-CD2 4.46Å; I11-V83 HydrophobicContact CB-CG2 4.1Å; I11-V83 HydrophobicContact CD1-CG2 4.43Å; I11-V83 HydrophobicContact CG2-CG2 4.24Å
12Q90Very high76Confident38 Ų3884.5 Ų84.518%0.17846%0.456CS..EExtended strand (participates in β ladder)trans-137.5132169.9-165.7175.415.300110.7V20 G22 P24 V80 L81 P82 V83Q12-V20 HydrophobicContact CG-CG1 3.85Å; Q12-G22 PolarHBondContact NE2-O 2.8Å; Q12-P24 HydrophobicContact CB-CB 4.45Å; Q12-P24 HydrophobicContact CB-CG 4.35Å; Q12-P24 HydrophobicContact CG-CG 4.27Å; Q12-V80 HydrophobicContact CB-CG1 3.69Å; Q12-L81 PolarHBondContact N-O 3.34Å; Q12-P82 WeakPolarHBondContact O-CA 3.37Å; Q12-V83 PolarHBondContact O-N 3.4Å
13F90.8Very high78.3Confident0 Ų082.6 Ų82.60%045%0.448CS..EExtended strand (participates in β ladder)trans-77.6142179.1-73.8-52.1000111.6I11 L21 F25 L36 V39 C40 L43 F54 V83 Y85I11-F13 HydrophobicContact CD1-CE1 4.42Å; I11-F13 HydrophobicContact CD1-CZ 4.32Å; F13-L21 HydrophobicContact CB-CB 3.94Å; F13-L21 HydrophobicContact CB-CD2 4.22Å; F13-L21 PolarHBondContact O-N 2.81Å; F13-F25 AromaticContact CD2-CE1 3.78Å; F13-F25 HydrophobicContact CD2-CE1 3.78Å; F13-F25 HydrophobicContact CD2-CZ 4.02Å; F13-F25 AromaticContact CE2-CE1 3.67Å; F13-F25 HydrophobicContact CE2-CE1 3.67Å; F13-F25 AromaticContact CE2-CZ 3.41Å; F13-F25 HydrophobicContact CE2-CZ 3.41Å; F13-F25 VanDerWaalsContact CE2-CZ 3.41Å; F13-F25 HydrophobicContact CZ-CE1 4.48Å; F13-F25 AromaticContact CZ-CZ 3.92Å; F13-F25 HydrophobicContact CZ-CZ 3.92Å; F13-L36 HydrophobicContact CE1-CD2 4.25Å; F13-L36 HydrophobicContact CZ-CB 4.45Å; F13-L36 HydrophobicContact CZ-CD2 3.96Å; F13-V39 HydrophobicContact CE2-CB 4.45Å; F13-V39 HydrophobicContact CE2-CG1 4.1Å; F13-C40 HydrophobicContact CD2-CB 4.24Å; F13-C40 HydrophobicContact CE1-CB 4.36Å; F13-C40 HydrophobicContact CE2-CB 3.81Å; F13-C40 HydrophobicContact CZ-CB 3.89Å; F13-L43 HydrophobicContact CD2-CD1 3.75Å; F13-L43 HydrophobicContact CE2-CD1 4.04Å; F13-F54 HydrophobicContact CD1-CD1 4.19Å; F13-F54 AromaticContact CD1-CE1 3.99Å; F13-F54 HydrophobicContact CD1-CE1 3.99Å; F13-F54 AromaticContact CE1-CD1 3.63Å; F13-F54 HydrophobicContact CE1-CD1 3.63Å; F13-F54 AromaticContact CE1-CE1 3.36Å; F13-F54 HydrophobicContact CE1-CE1 3.36Å; F13-F54 HydrophobicContact CE1-CZ 4.36Å; F13-F54 AromaticContact CZ-CE1 3.96Å; F13-F54 HydrophobicContact CZ-CE1 3.96Å; F13-V83 CarbonylContact C-O 3.57Å; F13-V83 WeakPolarHBondContact CA-O 3.46Å; F13-V83 HydrophobicContact CD1-CB 4.06Å; F13-V83 HydrophobicContact CD1-CG1 4.15Å; F13-V83 HydrophobicContact CE1-CB 4.3Å; F13-V83 HydrophobicContact CE1-CG1 4.08Å; F13-Y85 HydrophobicContact CB-CD1 3.83Å; F13-Y85 HydrophobicContact CB-CE1 4.03Å; F13-Y85 HydrophobicContact CD1-CD1 4.35Å; F13-Y85 HydrophobicContact CG-CD1 4.31Å
14Q90.2Very high80.4Confident50 Ų5080.2 Ų80.223%0.23443%0.43CS..EExtended strand (participates in β ladder)trans-135.9148.3175.4-69179.51.700110.7E19 V20 P82 V83 V84 Y85Q14-E19 CarbonylContact C-O 3.54Å; Q14-E19 VanDerWaalsContact CA-O 3.26Å; Q14-E19 WeakPolarHBondContact CA-O 3.3Å; Q14-V20 HydrophobicContact CG-CG1 3.6Å; Q14-P82 HydrophobicContact CG-CB 4.49Å; Q14-V83 PolarHBondContact N-O 3.32Å; Q14-V84 HydrophobicContact CB-CG2 4.47Å; Q14-V84 CarbonylContact O-C 3.6Å; Q14-V84 VanDerWaalsContact O-CA 3.26Å; Q14-V84 WeakPolarHBondContact O-CA 3.42Å; Q14-Y85 VanDerWaalsContact C-CE1 3.49Å; Q14-Y85 WeakPolarHBondContact O-CD1 3.27Å; Q14-Y85 WeakPolarHBondContact O-CE1 3.43Å; Q14-Y85 PolarHBondContact O-N 2.81Å
15D82.3Confident82.1Confident27 Ų2774.3 Ų74.314%0.14440%0.402CS..  trans-79.6178.4171.589.9-23.6000111.8N17 G18 E19D15-N17 PolarHBondContact O-N 3.18Å; D15-N17 VanDerWaalsContact OD1-C 3.24Å; D15-N17 VanDerWaalsContact OD1-CA 3.26Å; D15-N17 WeakPolarHBondContact OD1-CA 3.44Å; D15-N17 WeakPolarHBondContact OD1-CB 3.4Å; D15-N17 PolarHBondContact OD1-N 3.48Å; D15-N17 PolarHBondContact OD2-ND2 2.91Å; D15-G18 PolarHBondContact O-N 3.28Å; D15-G18 PolarHBondContact OD1-N 3.33Å; D15-E19 PolarHBondContact N-O 3.32Å; D15-E19 PolarHBondContact OD1-N 2.91Å
16E77.9Confident83.8Confident125 Ų12571.6 Ų71.658%0.58439%0.388SS*.THydrogen-bonded Turntrans-63.6-20.3177.1-68.5-173.7174.900113.8Q86E16-Q86 HydrophobicContact CG-CG 3.77Å; E16-Q86 VanDerWaalsContact OE1-CG 3.24Å; E16-Q86 WeakPolarHBondContact OE1-CG 3.43Å; E16-Q86 PolarHBondContact OE1-NE2 3.46Å
17N75Confident84.8Confident138 Ų13868 Ų6874%0.73837%0.366SS*.THydrogen-bonded Turntrans-94.8-1.8-179.5-52.3-57.7000112.6D15D15-N17 PolarHBondContact O-N 3.18Å; D15-N17 VanDerWaalsContact OD1-C 3.24Å; D15-N17 VanDerWaalsContact OD1-CA 3.26Å; D15-N17 WeakPolarHBondContact OD1-CA 3.44Å; D15-N17 WeakPolarHBondContact OD1-CB 3.4Å; D15-N17 PolarHBondContact OD1-N 3.48Å; D15-N17 PolarHBondContact OD2-ND2 2.91Å
18G76.8Confident85.4Confident43 Ų4363.5 Ų63.544%0.44335%0.349SS..  trans85.610-178.200000114.8D15D15-G18 PolarHBondContact O-N 3.28Å; D15-G18 PolarHBondContact OD1-N 3.33Å
19E84.8Confident85.5Confident140 Ų14056 Ų5665%0.65432%0.323SS*.  trans-72.4127172.2-65.7-167165.400110.3Q14 D15Q14-E19 CarbonylContact C-O 3.54Å; Q14-E19 VanDerWaalsContact CA-O 3.26Å; Q14-E19 WeakPolarHBondContact CA-O 3.3Å; D15-E19 PolarHBondContact N-O 3.32Å; D15-E19 PolarHBondContact OD1-N 2.91Å
20V88.6Confident85.5Confident83 Ų8361 Ų6150%0.50335%0.35SS..EExtended strand (participates in β ladder)trans-79.2129.6-177.3-106.40000111.3Q12 Q14Q12-V20 HydrophobicContact CG-CG1 3.85Å; Q14-V20 HydrophobicContact CG-CG1 3.6Å
21L85.8Confident85.4Confident31 Ų3158.4 Ų58.416%0.16234%0.337CS..EExtended strand (participates in β ladder)trans-100104176.1-176.876.4000110F13 L43 L44 Y85F13-L21 HydrophobicContact CB-CB 3.94Å; F13-L21 HydrophobicContact CB-CD2 4.22Å; F13-L21 PolarHBondContact O-N 2.81Å; L21-L43 HydrophobicContact CD2-CB 4.05Å; L21-L43 HydrophobicContact CG-CB 4.37Å; L21-L44 HydrophobicContact CD1-CD2 3.94Å; L21-L44 HydrophobicContact CD1-CG 4.49Å; L21-L44 HydrophobicContact CD2-CD2 4.03Å; L21-L44 HydrophobicContact CD2-CG 3.89Å; L21-Y85 HydrophobicContact CB-CE1 3.7Å; L21-Y85 HydrophobicContact CD2-CD1 4.36Å; L21-Y85 HydrophobicContact CD2-CE1 3.61Å; L21-Y85 HydrophobicContact CG-CE1 4.24Å
22G84.3Confident85.2Confident47 Ų4761.9 Ų61.949%0.48536%0.355SS..EExtended strand (participates in β ladder)trans74.3-174175.800000114.7Q12Q12-G22 PolarHBondContact NE2-O 2.8Å
23S86.5Confident84.8Confident94 Ų9461.2 Ų61.266%0.65735%0.354SS*.EExtended strand (participates in β ladder)trans-84.2152.3177.755.40000111.8
24P88.6Confident84.2Confident55 Ų5566.6 Ų66.636%0.35738%0.383SS..EExtended strand (participates in β ladder)trans-55.7141.7171.9-22.432.5000111.9L10 I11 Q12 V80L10-P24 HydrophobicContact CD1-CB 3.98Å; L10-P24 HydrophobicContact CG-CB 4.11Å; I11-P24 WeakPolarHBondContact O-CA 3.35Å; Q12-P24 HydrophobicContact CB-CB 4.45Å; Q12-P24 HydrophobicContact CB-CG 4.35Å; Q12-P24 HydrophobicContact CG-CG 4.27Å; P24-V80 HydrophobicContact CB-CG1 4.17Å; P24-V80 HydrophobicContact CB-CG2 4.46Å; P24-V80 HydrophobicContact CG-CG1 4.26Å; P24-V80 HydrophobicContact CG-CG2 4.5Å
25F88.6Confident84.1Confident49 Ų4970.3 Ų70.322%0.21540%0.399CS..EExtended strand (participates in β ladder)trans-144.7155.1179.666.7-84000111.8I11 F13 V27 V39 L43I11-F25 HydrophobicContact CD1-CE1 4.22Å; I11-F25 HydrophobicContact CD1-CE2 3.9Å; I11-F25 HydrophobicContact CD1-CZ 3.56Å; I11-F25 HydrophobicContact CG1-CD1 4.49Å; I11-F25 HydrophobicContact CG1-CD2 4.39Å; I11-F25 HydrophobicContact CG1-CE1 4.06Å; I11-F25 HydrophobicContact CG1-CE2 3.98Å; I11-F25 HydrophobicContact CG1-CZ 3.78Å; I11-F25 PolarHBondContact N-O 3.35Å; I11-F25 PolarHBondContact O-N 3.22Å; F13-F25 AromaticContact CD2-CE1 3.78Å; F13-F25 HydrophobicContact CD2-CE1 3.78Å; F13-F25 HydrophobicContact CD2-CZ 4.02Å; F13-F25 AromaticContact CE2-CE1 3.67Å; F13-F25 HydrophobicContact CE2-CE1 3.67Å; F13-F25 AromaticContact CE2-CZ 3.41Å; F13-F25 HydrophobicContact CE2-CZ 3.41Å; F13-F25 VanDerWaalsContact CE2-CZ 3.41Å; F13-F25 HydrophobicContact CZ-CE1 4.48Å; F13-F25 AromaticContact CZ-CZ 3.92Å; F13-F25 HydrophobicContact CZ-CZ 3.92Å; F25-V27 HydrophobicContact CD2-CG1 3.73Å; F25-V27 HydrophobicContact CE2-CG1 3.29Å; F25-V27 HydrophobicContact CZ-CG1 4.26Å; F25-V39 HydrophobicContact CE1-CG1 4.45Å; F25-V39 HydrophobicContact CE2-CG1 3.86Å; F25-V39 HydrophobicContact CZ-CG1 3.71Å; F25-L43 HydrophobicContact CE1-CD1 4.37Å
26D88.1Confident84.3Confident99 Ų9969 Ų6953%0.52939%0.392SS..EExtended strand (participates in β ladder)trans-84.4133.2-177.4-69.2-43000112.1L9 L10L9-D26 WeakPolarHBondContact O-CA 3.19Å; L10-D26 WeakPolarHBondContact CD1-OD1 3.11Å
27V86.6Confident84.6Confident5 Ų565.4 Ų65.43%0.0338%0.375CS..EExtended strand (participates in β ladder)trans-128.3148.9172.7-66.50000111.5R8 L9 I11 F25 I31 L66R8-V27 CarbonylContact C-O 3.59Å; R8-V27 WeakPolarHBondContact CA-O 3.43Å; L9-V27 HydrophobicContact CB-CG2 4.4Å; L9-V27 PolarHBondContact N-O 3Å; L9-V27 PolarHBondContact O-N 3.04Å; I11-V27 HydrophobicContact CB-CG2 4.3Å; I11-V27 HydrophobicContact CD1-CB 4.35Å; I11-V27 HydrophobicContact CD1-CG1 3.69Å; I11-V27 HydrophobicContact CD1-CG2 3.72Å; I11-V27 HydrophobicContact CG1-CB 4.49Å; I11-V27 HydrophobicContact CG1-CG1 3.94Å; I11-V27 HydrophobicContact CG1-CG2 3.74Å; I11-V27 HydrophobicContact CG2-CG2 3.58Å; F25-V27 HydrophobicContact CD2-CG1 3.73Å; F25-V27 HydrophobicContact CE2-CG1 3.29Å; F25-V27 HydrophobicContact CZ-CG1 4.26Å; V27-I31 HydrophobicContact CB-CD1 3.98Å; V27-I31 HydrophobicContact CB-CG2 4.3Å; V27-I31 HydrophobicContact CG1-CD1 3.84Å; V27-I31 HydrophobicContact CG2-CG2 4.22Å; V27-L66 HydrophobicContact CG2-CD2 4.03Å
28P87.9Confident85.2Confident54 Ų5464.9 Ų64.935%0.35137%0.371SS..EExtended strand (participates in β ladder)trans-66.3145.3170.928.2-33000110.8V6 D30 I31V6-P28 HydrophobicContact CG1-CB 3.64Å; P28-D30 PolarHBondContact O-N 3.19Å; P28-I31 HydrophobicContact CG-CB 4.26Å; P28-I31 VanDerWaalsContact O-CB 3.27Å; P28-I31 WeakPolarHBondContact O-CB 3.4Å; P28-I31 VanDerWaalsContact O-CG2 3.3Å; P28-I31 WeakPolarHBondContact O-CG2 3.44Å; P28-I31 PolarHBondContact O-N 3.4Å
29V83.8Confident85.7Confident23 Ų2365.4 Ų65.414%0.13937%0.366CS..THydrogen-bonded Turntrans-57.2-33.7178.8171.90000112.4E7 L9 I31 G67E7-V29 HydrophobicContact CB-CB 4.48Å; E7-V29 HydrophobicContact CB-CG2 3.69Å; E7-V29 WeakPolarHBondContact O-CG2 3.38Å; E7-V29 PolarHBondContact O-N 3.29Å; L9-V29 HydrophobicContact CD1-CB 4.26Å; L9-V29 HydrophobicContact CD1-CG2 3.57Å; L9-V29 HydrophobicContact CD2-CG2 4.49Å; L9-V29 HydrophobicContact CG-CG2 3.66Å; V29-I31 PolarHBondContact O-N 3.43Å; V29-G67 PolarHBondContact O-N 2.94Å
30D82.1Confident85.7Confident115 Ų11558.8 Ų58.862%0.61534%0.335SS*.THydrogen-bonded Turntrans-83.319.2178-66.2-34.4000114.1P28 N32P28-D30 PolarHBondContact O-N 3.19Å; D30-N32 PolarHBondContact O-N 3.33Å; D30-N32 PolarHBondContact O-OD1 3.39Å
31I85.9Confident85.6Confident10 Ų1055.7 Ų55.75%0.05132%0.316CS..  trans-66.6125.8178.3-164.1167.1000111.2V27 P28 V29 K35 L36 L66V27-I31 HydrophobicContact CB-CD1 3.98Å; V27-I31 HydrophobicContact CB-CG2 4.3Å; V27-I31 HydrophobicContact CG1-CD1 3.84Å; V27-I31 HydrophobicContact CG2-CG2 4.22Å; P28-I31 HydrophobicContact CG-CB 4.26Å; P28-I31 VanDerWaalsContact O-CB 3.27Å; P28-I31 WeakPolarHBondContact O-CB 3.4Å; P28-I31 VanDerWaalsContact O-CG2 3.3Å; P28-I31 WeakPolarHBondContact O-CG2 3.44Å; P28-I31 PolarHBondContact O-N 3.4Å; V29-I31 PolarHBondContact O-N 3.43Å; I31-K35 HydrophobicContact CD1-CB 4.11Å; I31-K35 HydrophobicContact CG1-CB 3.74Å; I31-K35 HydrophobicContact CG1-CD 4.41Å; I31-L36 HydrophobicContact CD1-CD2 3.73Å; I31-L36 HydrophobicContact CD1-CG 3.96Å; I31-L36 HydrophobicContact CG1-CD2 4.33Å; I31-L36 HydrophobicContact CG1-CG 4.06Å; I31-L36 HydrophobicContact CG2-CD1 4.16Å; I31-L36 HydrophobicContact CG2-CD2 4.13Å; I31-L36 HydrophobicContact CG2-CG 4.08Å; I31-L66 HydrophobicContact CG2-CB 3.74Å; I31-L66 HydrophobicContact CG2-CD2 4.12Å; I31-L66 PolarHBondContact O-N 2.82Å
32N84.6Confident85.6Confident73 Ų7357.7 Ų57.739%0.3934%0.336SS..  trans-79154.4175.4-70.417.5000111.3D30 D34 K35 L36 S64D30-N32 PolarHBondContact O-N 3.33Å; D30-N32 PolarHBondContact O-OD1 3.39Å; N32-D34 PolarHBondContact O-N 3.32Å; N32-K35 PolarHBondContact O-N 2.95Å; N32-L36 PolarHBondContact O-N 3.47Å; N32-L36 VanDerWaalsContact O-N 3.17Å; N32-S64 PolarHBondContact OD1-O 2.82Å
33P81.2Confident85.6Confident24 Ų2458.9 Ų58.916%0.15633%0.331CS..Hα-helixtrans-53.4-36.9174.7-27.135.4000114K35 L36 Q37 V62P33-K35 VanDerWaalsContact C-N 3.3Å; P33-K35 PolarHBondContact O-N 2.85Å; P33-L36 PolarHBondContact O-N 3.24Å; P33-Q37 WeakPolarHBondContact O-CB 3.43Å; P33-Q37 PolarHBondContact O-N 3.44Å; P33-V62 HydrophobicContact CG-CB 4.44Å; P33-V62 HydrophobicContact CG-CG1 4.04Å; P33-V62 WeakPolarHBondContact CG-O 3.4Å
34D79.9Confident85.5Confident114 Ų11456.2 Ų56.261%0.6131%0.31SS*.Hα-helixtrans-63.1-36.1179.2-59.7-32.7000112.4N32 Q37 L38N32-D34 PolarHBondContact O-N 3.32Å; D34-Q37 WeakPolarHBondContact O-CB 3.46Å; D34-Q37 PolarHBondContact O-N 3.29Å; D34-L38 WeakPolarHBondContact O-CG 3.44Å; D34-L38 PolarHBondContact O-N 3.22Å; D34-L38 VanDerWaalsContact O-N 3.12Å
35K86.3Confident85.1Confident128 Ų12862 Ų6256%0.55733%0.331SS*.Hα-helixtrans-74-41177-68.3-178.6-179.5175.20110.9I31 N32 P33 Q37 L38 V39I31-K35 HydrophobicContact CD1-CB 4.11Å; I31-K35 HydrophobicContact CG1-CB 3.74Å; I31-K35 HydrophobicContact CG1-CD 4.41Å; N32-K35 PolarHBondContact O-N 2.95Å; P33-K35 VanDerWaalsContact C-N 3.3Å; P33-K35 PolarHBondContact O-N 2.85Å; K35-Q37 PolarHBondContact O-N 3.05Å; K35-L38 PolarHBondContact O-N 2.84Å; K35-V39 WeakPolarHBondContact O-CG2 3.32Å; K35-V39 PolarHBondContact O-N 2.88Å; K35-V39 VanDerWaalsContact O-N 3.15Å
36L86.3Confident84.3Confident0 Ų065.6 Ų65.60%035%0.347CS..Hα-helixtrans-59.6-38.6171.8-72.1170.4000111.2I11 F13 I31 N32 P33 V39 C40 F54I11-L36 HydrophobicContact CD1-CD2 3.64Å; F13-L36 HydrophobicContact CE1-CD2 4.25Å; F13-L36 HydrophobicContact CZ-CB 4.45Å; F13-L36 HydrophobicContact CZ-CD2 3.96Å; I31-L36 HydrophobicContact CD1-CD2 3.73Å; I31-L36 HydrophobicContact CD1-CG 3.96Å; I31-L36 HydrophobicContact CG1-CD2 4.33Å; I31-L36 HydrophobicContact CG1-CG 4.06Å; I31-L36 HydrophobicContact CG2-CD1 4.16Å; I31-L36 HydrophobicContact CG2-CD2 4.13Å; I31-L36 HydrophobicContact CG2-CG 4.08Å; N32-L36 PolarHBondContact O-N 3.47Å; N32-L36 VanDerWaalsContact O-N 3.17Å; P33-L36 PolarHBondContact O-N 3.24Å; L36-V39 PolarHBondContact O-N 3.47Å; L36-C40 VanDerWaalsContact O-CB 3.28Å; L36-C40 WeakPolarHBondContact O-CB 3.27Å; L36-C40 PolarHBondContact O-N 3.19Å; L36-F54 HydrophobicContact CB-CD1 4.37Å; L36-F54 HydrophobicContact CB-CD2 3.73Å; L36-F54 HydrophobicContact CB-CE1 4.17Å; L36-F54 HydrophobicContact CB-CE2 3.53Å; L36-F54 HydrophobicContact CB-CG 4.16Å; L36-F54 HydrophobicContact CB-CZ 3.77Å; L36-F54 HydrophobicContact CD1-CB 4.42Å; L36-F54 HydrophobicContact CD1-CD2 4.29Å; L36-F54 HydrophobicContact CD1-CG 4.24Å; L36-F54 WeakPolarHBondContact O-CZ 3.43Å
37Q85.8Confident83Confident49 Ų4970.6 Ų70.623%0.22937%0.367CS..Hα-helixtrans-61.9-43.6176.1-178.5178.2-45.400112.2P33 D34 K35 N41 L52 F54P33-Q37 WeakPolarHBondContact O-CB 3.43Å; P33-Q37 PolarHBondContact O-N 3.44Å; D34-Q37 WeakPolarHBondContact O-CB 3.46Å; D34-Q37 PolarHBondContact O-N 3.29Å; K35-Q37 PolarHBondContact O-N 3.05Å; Q37-N41 VanDerWaalsContact CG-ND2 3.3Å; Q37-N41 WeakPolarHBondContact CG-ND2 3.48Å; Q37-N41 VanDerWaalsContact O-CB 3.31Å; Q37-N41 WeakPolarHBondContact O-CB 3.29Å; Q37-N41 PolarHBondContact O-N 3.13Å; Q37-N41 PolarHBondContact O-ND2 3.14Å; Q37-L52 HydrophobicContact CG-CB 4.27Å; Q37-L52 HydrophobicContact CG-CD1 4.49Å; Q37-F54 HydrophobicContact CB-CE2 3.95Å; Q37-F54 HydrophobicContact CB-CZ 4.3Å; Q37-F54 VanDerWaalsContact N-CE2 3.29Å
38L86.3Confident82Confident126 Ų12677.8 Ų77.866%0.6640%0.401SS*.Hα-helixtrans-61.7-46.2176.8-73.9166.1000111.4D34 K35 A42D34-L38 WeakPolarHBondContact O-CG 3.44Å; D34-L38 PolarHBondContact O-N 3.22Å; D34-L38 VanDerWaalsContact O-N 3.12Å; K35-L38 PolarHBondContact O-N 2.84Å; L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.26Å
39V87.9Confident81Confident55 Ų5580 Ų8033%0.33342%0.415SS..Hα-helixtrans-65.3-45.7179.7-179.20000111.1F13 F25 K35 L36 A42 L43F13-V39 HydrophobicContact CE2-CB 4.45Å; F13-V39 HydrophobicContact CE2-CG1 4.1Å; F25-V39 HydrophobicContact CE1-CG1 4.45Å; F25-V39 HydrophobicContact CE2-CG1 3.86Å; F25-V39 HydrophobicContact CZ-CG1 3.71Å; K35-V39 WeakPolarHBondContact O-CG2 3.32Å; K35-V39 PolarHBondContact O-N 2.88Å; K35-V39 VanDerWaalsContact O-N 3.15Å; L36-V39 PolarHBondContact O-N 3.47Å; V39-A42 PolarHBondContact O-N 3.36Å; V39-L43 HydrophobicContact CG1-CD1 4.21Å; V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 2.97Å
40C85.7Confident80.4Confident0 Ų080.5 Ų80.50%042%0.418CS..Hα-helixtrans-65.3-42-179.4-169.20000111.9F13 L36 A42 L43 L44 L52 F54F13-C40 HydrophobicContact CD2-CB 4.24Å; F13-C40 HydrophobicContact CE1-CB 4.36Å; F13-C40 HydrophobicContact CE2-CB 3.81Å; F13-C40 HydrophobicContact CZ-CB 3.89Å; L36-C40 VanDerWaalsContact O-CB 3.28Å; L36-C40 WeakPolarHBondContact O-CB 3.27Å; L36-C40 PolarHBondContact O-N 3.19Å; C40-A42 VanDerWaalsContact C-N 3.33Å; C40-A42 PolarHBondContact O-N 3.17Å; C40-L43 PolarHBondContact O-N 3.37Å; C40-L44 WeakPolarHBondContact O-CB 3.42Å; C40-L44 WeakPolarHBondContact O-CG 3.49Å; C40-L44 PolarHBondContact O-N 2.88Å; C40-L52 HydrophobicContact CB-CD1 3.77Å; C40-F54 HydrophobicContact CB-CE1 3.86Å; C40-F54 HydrophobicContact CB-CZ 3.82Å
41N85.9Confident80.1Confident19 Ų1976.6 Ų76.610%0.10240%0.399CS..Hα-helixtrans-64.9-36.3174.9-80.9-52.6000112.6Q37 L43 L44 Q45 V50Q37-N41 VanDerWaalsContact CG-ND2 3.3Å; Q37-N41 WeakPolarHBondContact CG-ND2 3.48Å; Q37-N41 VanDerWaalsContact O-CB 3.31Å; Q37-N41 WeakPolarHBondContact O-CB 3.29Å; Q37-N41 PolarHBondContact O-N 3.13Å; Q37-N41 PolarHBondContact O-ND2 3.14Å; N41-L43 VanDerWaalsContact C-N 3.33Å; N41-L44 PolarHBondContact O-N 3.2Å; N41-Q45 PolarHBondContact O-N 2.82Å; N41-V50 PolarHBondContact ND2-O 3.12Å; N41-V50 PolarHBondContact OD1-N 3.4Å; N41-V50 VanDerWaalsContact OD1-N 3.15Å; N41-V50 PolarHBondContact OD1-O 3.46Å
42A85.5Confident79.9Confident72 Ų7276.4 Ų76.460%0.59540%0.398SS*.Hα-helixtrans-64-38.9174.400000112.1L38 V39 C40 Q45L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.26Å; V39-A42 PolarHBondContact O-N 3.36Å; C40-A42 VanDerWaalsContact C-N 3.33Å; C40-A42 PolarHBondContact O-N 3.17Å; A42-Q45 PolarHBondContact O-N 3.05Å
43L85.4Confident79.7Confident73 Ų7373.3 Ų73.338%0.38238%0.383SS..Hα-helixtrans-69.5-35.2175.4-70.5169.8000112.7F13 L21 F25 V39 C40 N41 Q45F13-L43 HydrophobicContact CD2-CD1 3.75Å; F13-L43 HydrophobicContact CE2-CD1 4.04Å; L21-L43 HydrophobicContact CD2-CB 4.05Å; L21-L43 HydrophobicContact CG-CB 4.37Å; F25-L43 HydrophobicContact CE1-CD1 4.37Å; V39-L43 HydrophobicContact CG1-CD1 4.21Å; V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 2.97Å; C40-L43 PolarHBondContact O-N 3.37Å; N41-L43 VanDerWaalsContact C-N 3.33Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 3.14Å
44L83.8Confident79.9Confident38 Ų3872.2 Ų72.220%0.19938%0.376CS..Hα-helixtrans-72.6-16178.8-75.9164.6000113.7L21 C40 N41 K46 L52 Y85L21-L44 HydrophobicContact CD1-CD2 3.94Å; L21-L44 HydrophobicContact CD1-CG 4.49Å; L21-L44 HydrophobicContact CD2-CD2 4.03Å; L21-L44 HydrophobicContact CD2-CG 3.89Å; C40-L44 WeakPolarHBondContact O-CB 3.42Å; C40-L44 WeakPolarHBondContact O-CG 3.49Å; C40-L44 PolarHBondContact O-N 2.88Å; N41-L44 PolarHBondContact O-N 3.2Å; L44-K46 HydrophobicContact CB-CG 4.29Å; L44-K46 PolarHBondContact O-N 2.95Å; L44-L52 HydrophobicContact CD1-CD1 4.19Å; L44-Y85 HydrophobicContact CD1-CE2 4.21Å; L44-Y85 HydrophobicContact CD2-CE2 4.31Å
45Q79.8Confident80.1Confident175 Ų17567.9 Ų67.982%0.81835%0.351SS*.THydrogen-bonded Turntrans48.633.8179.1-60-177.16.800114.6N41 A42 L43N41-Q45 PolarHBondContact O-N 2.82Å; A42-Q45 PolarHBondContact O-N 3.05Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 3.14Å
46K72.1Confident79.9Confident125 Ų12561.8 Ų61.854%0.54333%0.325SS..  trans-81.1143.1177.4-68.9-176.4178.3-1790110.8L44 E48 V50L44-K46 HydrophobicContact CB-CG 4.29Å; L44-K46 PolarHBondContact O-N 2.95Å; K46-E48 PolarHBondContact O-N 3.25Å; K46-V50 HydrophobicContact CD-CG2 4.28Å
47E60.1Low79.2Confident204 Ų20468.8 Ų68.895%0.95335%0.351SS*.SBendtrans-61.3-30.1177.3-70.2-175.8158.500112.8
48E65.3Low78.1Confident157 Ų15768.9 Ų68.973%0.73437%0.365SS*.SBendtrans-118.2129174.8-69.1-173.6164.900111.4K46 V50K46-E48 PolarHBondContact O-N 3.25Å; E48-V50 PolarHBondContact O-N 3.15Å
49P68.6Low77.2Confident99 Ų9970.8 Ų70.864%0.64337%0.371SS*.PPolyproline II helixtrans-69.6122.9178.227-32.1000110.6
50V70.3Confident76.5Confident35 Ų3569.3 Ų69.321%0.21236%0.364CS..PPolyproline II helixtrans-92.2133.6177.8-1710000108.2N41 K46 E48 L52 P87N41-V50 PolarHBondContact ND2-O 3.12Å; N41-V50 PolarHBondContact OD1-N 3.4Å; N41-V50 VanDerWaalsContact OD1-N 3.15Å; N41-V50 PolarHBondContact OD1-O 3.46Å; K46-V50 HydrophobicContact CD-CG2 4.28Å; E48-V50 PolarHBondContact O-N 3.15Å; V50-L52 WeakPolarHBondContact O-CG 3.28Å; V50-L52 PolarHBondContact O-N 2.91Å; V50-P87 HydrophobicContact CG1-CB 3.88Å
51P75.2Confident76.2Confident32 Ų3272.2 Ų72.221%0.20838%0.378CS..PPolyproline II helixtrans-65135171.523.8-26.9000109.5P87 Q88 V90P51-P87 CarbonylContact O-C 3.59Å; P51-Q88 HydrophobicContact CB-CB 4.11Å; P51-Q88 HydrophobicContact CG-CB 4.28Å; P51-Q88 WeakPolarHBondContact O-CA 3.34Å; P51-Q88 WeakPolarHBondContact O-CB 3.19Å; P51-Q88 PolarHBondContact O-N 2.99Å; P51-V90 HydrophobicContact CG-CG2 4.24Å
52L81.9Confident75.9Confident6 Ų671.5 Ų71.53%0.03137%0.374CS..EExtended strand (participates in β ladder)trans-125.1140.2-172.2-68.7160.1000109.7Q37 C40 L44 V50 F54 Y85 Q86 P87 Q88Q37-L52 HydrophobicContact CG-CB 4.27Å; Q37-L52 HydrophobicContact CG-CD1 4.49Å; C40-L52 HydrophobicContact CB-CD1 3.77Å; L44-L52 HydrophobicContact CD1-CD1 4.19Å; V50-L52 WeakPolarHBondContact O-CG 3.28Å; V50-L52 PolarHBondContact O-N 2.91Å; L52-F54 HydrophobicContact CB-CE1 4.45Å; L52-F54 HydrophobicContact CB-CE2 3.98Å; L52-F54 HydrophobicContact CB-CZ 3.77Å; L52-F54 HydrophobicContact CD1-CZ 4.3Å; L52-Y85 HydrophobicContact CD2-CD2 3.87Å; L52-Q86 CarbonylContact C-O 3.59Å; L52-Q86 WeakPolarHBondContact CA-O 3.36Å; L52-P87 HydrophobicContact CD2-CB 4.47Å; L52-Q88 PolarHBondContact O-NE2 3.05Å
53A80.7Confident75.4Confident9 Ų973.3 Ų73.37%0.07438%0.378CS..EExtended strand (participates in β ladder)trans-101.5145.7165.900000108.1F55 Y85 Q86 Q88A53-F55 HydrophobicContact CB-CE2 3.77Å; A53-F55 HydrophobicContact CB-CZ 4.36Å; A53-Y85 CarbonylContact O-C 3.54Å; A53-Y85 WeakPolarHBondContact O-CA 3.39Å; A53-Q86 PolarHBondContact N-O 2.96Å; A53-Q86 PolarHBondContact O-N 2.61Å; A53-Q88 HydrophobicContact CB-CG 3.77Å
54F85.9Confident74.9Confident1 Ų173.3 Ų73.30%0.00438%0.383CS..EExtended strand (participates in β ladder)trans-118.6132.8-178.4-63.3-78.8000109.5F13 L36 Q37 C40 L52 E61 V62 V83 V84F13-F54 HydrophobicContact CD1-CD1 4.19Å; F13-F54 AromaticContact CD1-CE1 3.99Å; F13-F54 HydrophobicContact CD1-CE1 3.99Å; F13-F54 AromaticContact CE1-CD1 3.63Å; F13-F54 HydrophobicContact CE1-CD1 3.63Å; F13-F54 AromaticContact CE1-CE1 3.36Å; F13-F54 HydrophobicContact CE1-CE1 3.36Å; F13-F54 HydrophobicContact CE1-CZ 4.36Å; F13-F54 AromaticContact CZ-CE1 3.96Å; F13-F54 HydrophobicContact CZ-CE1 3.96Å; L36-F54 HydrophobicContact CB-CD1 4.37Å; L36-F54 HydrophobicContact CB-CD2 3.73Å; L36-F54 HydrophobicContact CB-CE1 4.17Å; L36-F54 HydrophobicContact CB-CE2 3.53Å; L36-F54 HydrophobicContact CB-CG 4.16Å; L36-F54 HydrophobicContact CB-CZ 3.77Å; L36-F54 HydrophobicContact CD1-CB 4.42Å; L36-F54 HydrophobicContact CD1-CD2 4.29Å; L36-F54 HydrophobicContact CD1-CG 4.24Å; L36-F54 WeakPolarHBondContact O-CZ 3.43Å; Q37-F54 HydrophobicContact CB-CE2 3.95Å; Q37-F54 HydrophobicContact CB-CZ 4.3Å; Q37-F54 VanDerWaalsContact N-CE2 3.29Å; C40-F54 HydrophobicContact CB-CE1 3.86Å; C40-F54 HydrophobicContact CB-CZ 3.82Å; L52-F54 HydrophobicContact CB-CE1 4.45Å; L52-F54 HydrophobicContact CB-CE2 3.98Å; L52-F54 HydrophobicContact CB-CZ 3.77Å; L52-F54 HydrophobicContact CD1-CZ 4.3Å; F54-E61 WeakPolarHBondContact O-CA 3.28Å; F54-V62 HydrophobicContact CB-CB 4.35Å; F54-V62 HydrophobicContact CB-CG2 4.18Å; F54-V62 PolarHBondContact O-N 2.87Å; F54-V83 HydrophobicContact CB-CG1 3.78Å; F54-V83 HydrophobicContact CD1-CG1 3.78Å; F54-V83 HydrophobicContact CG-CG1 4.2Å; F54-V84 CarbonylContact C-O 3.59Å; F54-V84 WeakPolarHBondContact CA-O 3.33Å
55F82.7Confident74.9Confident22 Ų2272.4 Ų72.410%0.09638%0.38CS..EExtended strand (participates in β ladder)trans-123135.2179.5-63.7-95000110.2A53 A60 E61 V83 V84 Q86A53-F55 HydrophobicContact CB-CE2 3.77Å; A53-F55 HydrophobicContact CB-CZ 4.36Å; F55-A60 CarbonylContact C-O 3.59Å; F55-A60 VanDerWaalsContact CA-O 3.27Å; F55-A60 WeakPolarHBondContact CA-O 3.31Å; F55-E61 HydrophobicContact CD1-CB 3.93Å; F55-E61 HydrophobicContact CE1-CB 3.65Å; F55-E61 HydrophobicContact CE1-CG 4.08Å; F55-E61 HydrophobicContact CZ-CB 4.31Å; F55-E61 HydrophobicContact CZ-CG 4.24Å; F55-V83 CarbonylContact O-C 3.55Å; F55-V83 WeakPolarHBondContact O-CA 3.3Å; F55-V84 HydrophobicContact CB-CB 4.35Å; F55-V84 PolarHBondContact N-O 2.65Å; F55-V84 PolarHBondContact O-N 2.72Å; F55-Q86 HydrophobicContact CD2-CG 3.99Å; F55-Q86 HydrophobicContact CE2-CB 4.14Å; F55-Q86 HydrophobicContact CE2-CG 3.92Å
56V82.4Confident74.9Confident0 Ų064 Ų640%034%0.341CS..EExtended strand (participates in β ladder)trans-95.7127.6173.5-178.90000108.3G58 E59 A60 V62 L66 L73 L81V56-G58 PolarHBondContact O-N 2.9Å; V56-E59 PolarHBondContact O-N 2.59Å; V56-A60 PolarHBondContact N-O 3.18Å; V56-A60 PolarHBondContact O-N 3.31Å; V56-V62 HydrophobicContact CG2-CG2 3.85Å; V56-L66 HydrophobicContact CG2-CD1 3.77Å; V56-L73 HydrophobicContact CB-CD1 4.03Å; V56-L73 HydrophobicContact CG1-CD1 3.95Å; V56-L81 HydrophobicContact CG1-CD1 3.73Å; V56-L81 HydrophobicContact CG1-CD2 3.93Å; V56-L81 HydrophobicContact CG1-CG 4.05Å; V56-L81 HydrophobicContact CG2-CD2 4.28Å
57R72.1Confident75.3Confident148 Ų14858.3 Ų58.356%0.55832%0.318SS*.THydrogen-bonded Turntrans52.922.5-175.3-66.7-174.1171.3-174.2-2.5114.7E59R57-E59 PolarHBondContact O-N 2.87Å
58G63.4Low76.1Confident51 Ų5150.4 Ų50.453%0.52629%0.285SS..THydrogen-bonded Turntrans70.90.9-179.100000115.6V56V56-G58 PolarHBondContact O-N 2.9Å
59E66.3Low76.6Confident166 Ų16643.4 Ų43.478%0.77625%0.253SS*.THydrogen-bonded Turntrans-114.3-39.1-172.7-68.3-176.1176.800113.2V56 R57V56-E59 PolarHBondContact O-N 2.59Å; R57-E59 PolarHBondContact O-N 2.87Å
60A73.4Confident77Confident23 Ų2339.4 Ų39.419%0.1923%0.226CC..EExtended strand (participates in β ladder)trans-112.3123-175.700000112.3F55 V56 C69 L73F55-A60 CarbonylContact C-O 3.59Å; F55-A60 VanDerWaalsContact CA-O 3.27Å; F55-A60 WeakPolarHBondContact CA-O 3.31Å; V56-A60 PolarHBondContact N-O 3.18Å; V56-A60 PolarHBondContact O-N 3.31Å; A60-C69 WeakPolarHBondContact CB-SG 3.45Å; A60-L73 HydrophobicContact CB-CD1 3.45Å; A60-L73 VanDerWaalsContact CB-CD1 3.45Å; A60-L73 HydrophobicContact CB-CD2 4.2Å; A60-L73 HydrophobicContact CB-CG 3.95Å
61E79.2Confident77.4Confident61 Ų6145.7 Ų45.729%0.28525%0.253SS..EExtended strand (participates in β ladder)trans-75.7133.8174.7-172.9176.5-175.100110.6F54 F55 V63 K389F54-E61 WeakPolarHBondContact O-CA 3.28Å; F55-E61 HydrophobicContact CD1-CB 3.93Å; F55-E61 HydrophobicContact CE1-CB 3.65Å; F55-E61 HydrophobicContact CE1-CG 4.08Å; F55-E61 HydrophobicContact CZ-CB 4.31Å; F55-E61 HydrophobicContact CZ-CG 4.24Å; E61-V63 HydrophobicContact CB-CG2 4.31Å; E61-V63 HydrophobicContact CG-CG2 4.15Å; E61-V63 PolarHBondContact O-N 3.22Å; E61-K389 IonicContact OE2-NZ 2.93Å; E61-K389 PolarHBondContact OE2-NZ 3.05Å
62V79.3Confident77.3Confident4 Ų450 Ų502%0.02428%0.28CS..  trans-76.8103.2171.6-170.10000108.2P33 F54 V56 L66P33-V62 HydrophobicContact CG-CB 4.44Å; P33-V62 HydrophobicContact CG-CG1 4.04Å; P33-V62 WeakPolarHBondContact CG-O 3.4Å; F54-V62 HydrophobicContact CB-CB 4.35Å; F54-V62 HydrophobicContact CB-CG2 4.18Å; F54-V62 PolarHBondContact O-N 2.87Å; V56-V62 HydrophobicContact CG2-CG2 3.85Å; V62-L66 HydrophobicContact CG1-CB 4.49Å; V62-L66 HydrophobicContact CG1-CD1 4.43Å; V62-L66 HydrophobicContact CG2-CD1 3.72Å
63V75.2Confident76.8Confident111 Ų11152.2 Ų52.267%0.67329%0.291SS*.SBendtrans-98.9-45.3-177.9-178.80000112.3E61E61-V63 HydrophobicContact CB-CG2 4.31Å; E61-V63 HydrophobicContact CG-CG2 4.15Å; E61-V63 PolarHBondContact O-N 3.22Å
64S75.3Confident76.2Confident72 Ų7255 Ų5550%0.50332%0.32SS..SBendtrans-106.2-61.1-177.539.70000112N32 S68N32-S64 PolarHBondContact OD1-O 2.82Å; S64-S68 PolarHBondContact OG-OG 2.88Å
65S83.1Confident75.5Confident19 Ų1955.7 Ų55.713%0.13332%0.324CS..  trans-150.9154.3178.6660000110.1G67 S68 C69S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 3.43Å; S65-S68 PolarHBondContact N-OG 3.35Å; S65-S68 PolarHBondContact O-N 3.01Å; S65-S68 PolarHBondContact O-OG 2.98Å; S65-S68 PolarHBondContact OG-N 2.94Å; S65-S68 PolarHBondContact OG-OG 3.02Å; S65-C69 PolarHBondContact O-N 3.45Å
66L81.3Confident74.9Confident0 Ų061.2 Ų61.20%035%0.351CS..Hα-helixtrans-60-39.5177.4-165.972.1000111.4L9 I11 V27 I31 V56 V62 C69 I70 L81 V83L9-L66 HydrophobicContact CD1-CD2 3.87Å; L9-L66 HydrophobicContact CD1-CG 4.43Å; I11-L66 HydrophobicContact CG2-CD2 3.86Å; V27-L66 HydrophobicContact CG2-CD2 4.03Å; I31-L66 HydrophobicContact CG2-CB 3.74Å; I31-L66 HydrophobicContact CG2-CD2 4.12Å; I31-L66 PolarHBondContact O-N 2.82Å; V56-L66 HydrophobicContact CG2-CD1 3.77Å; V62-L66 HydrophobicContact CG1-CB 4.49Å; V62-L66 HydrophobicContact CG1-CD1 4.43Å; V62-L66 HydrophobicContact CG2-CD1 3.72Å; L66-C69 WeakPolarHBondContact O-CB 3.33Å; L66-C69 PolarHBondContact O-N 3.27Å; L66-I70 HydrophobicContact CD2-CD1 4.3Å; L66-I70 HydrophobicContact CG-CD1 3.9Å; L66-I70 WeakPolarHBondContact O-CG1 3.41Å; L66-I70 PolarHBondContact O-N 3.24Å; L66-L81 HydrophobicContact CD1-CD2 4.42Å; L66-L81 HydrophobicContact CD2-CD2 4.42Å; L66-V83 HydrophobicContact CD1-CG2 4.48Å
67G78.9Confident74.1Confident5 Ų565.6 Ų65.65%0.05238%0.377CS..Hα-helixtrans-59.3-47.217800000114.6V29 S65 C69 I70 Q71V29-G67 PolarHBondContact O-N 2.94Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 3.43Å; G67-C69 PolarHBondContact O-N 3.03Å; G67-I70 PolarHBondContact O-N 3.5Å; G67-Q71 WeakPolarHBondContact O-CG 3.47Å; G67-Q71 PolarHBondContact O-N 2.85Å
68S77.5Confident73.9Confident38 Ų3867.3 Ų67.327%0.26639%0.392SS..Hα-helixtrans-61-34.217761.50000112.5S64 S65 T72S64-S68 PolarHBondContact OG-OG 2.88Å; S65-S68 PolarHBondContact N-OG 3.35Å; S65-S68 PolarHBondContact O-N 3.01Å; S65-S68 PolarHBondContact O-OG 2.98Å; S65-S68 PolarHBondContact OG-N 2.94Å; S65-S68 PolarHBondContact OG-OG 3.02Å; S68-T72 PolarHBondContact O-N 2.7Å; S68-T72 PolarHBondContact O-OG1 3.22Å
69C76.1Confident74.6Confident10 Ų1071.3 Ų71.37%0.06840%0.397CS..Hα-helixtrans-70.1-43.5177.8-159.20000111.3A60 S65 L66 G67 T72 L73A60-C69 WeakPolarHBondContact CB-SG 3.45Å; S65-C69 PolarHBondContact O-N 3.45Å; L66-C69 WeakPolarHBondContact O-CB 3.33Å; L66-C69 PolarHBondContact O-N 3.27Å; G67-C69 PolarHBondContact O-N 3.03Å; C69-T72 PolarHBondContact O-N 2.59Å; C69-L73 PolarHBondContact O-N 3.18Å; C69-L73 VanDerWaalsContact O-N 3.14Å
70I77.8Confident75.3Confident14 Ų1466.3 Ų66.37%0.07238%0.377CS..Hα-helixtrans-66.2-43.5178.5-70.3164.5000111.9L9 L66 G67 T72 L73 G74 V75 L81L9-I70 HydrophobicContact CD1-CD1 3.24Å; L9-I70 HydrophobicContact CD2-CD1 4.29Å; L9-I70 HydrophobicContact CG-CD1 4.38Å; L66-I70 HydrophobicContact CD2-CD1 4.3Å; L66-I70 HydrophobicContact CG-CD1 3.9Å; L66-I70 WeakPolarHBondContact O-CG1 3.41Å; L66-I70 PolarHBondContact O-N 3.24Å; G67-I70 PolarHBondContact O-N 3.5Å; I70-T72 PolarHBondContact O-N 3.39Å; I70-L73 PolarHBondContact O-N 2.87Å; I70-L73 VanDerWaalsContact O-N 3.13Å; I70-G74 PolarHBondContact O-N 2.83Å; I70-V75 HydrophobicContact CG2-CB 4.27Å; I70-L81 HydrophobicContact CD1-CD2 3.74Å; I70-L81 HydrophobicContact CG1-CD2 4.06Å
71Q76.9Confident75.8Confident167 Ų16765.7 Ų65.778%0.7837%0.371SS*.Hα-helixtrans-59.3-37.3176.1-75.5179.3-2.200111.8G67G67-Q71 WeakPolarHBondContact O-CG 3.47Å; G67-Q71 PolarHBondContact O-N 2.85Å
72T73.8Confident76.1Confident124 Ų12464.6 Ų64.676%0.76137%0.369SS*.Hα-helixtrans-70.1-34.1177.9-54.80000112.1S68 C69 I70S68-T72 PolarHBondContact O-N 2.7Å; S68-T72 PolarHBondContact O-OG1 3.22Å; C69-T72 PolarHBondContact O-N 2.59Å; I70-T72 PolarHBondContact O-N 3.39Å
73L71.4Confident76.6Confident52 Ų5264.4 Ų64.427%0.27237%0.368SS..Hα-helixtrans-89.8-12.5-177.7-78.3166.1000114.3V56 A60 C69 I70 V75V56-L73 HydrophobicContact CB-CD1 4.03Å; V56-L73 HydrophobicContact CG1-CD1 3.95Å; A60-L73 HydrophobicContact CB-CD1 3.45Å; A60-L73 VanDerWaalsContact CB-CD1 3.45Å; A60-L73 HydrophobicContact CB-CD2 4.2Å; A60-L73 HydrophobicContact CB-CG 3.95Å; C69-L73 PolarHBondContact O-N 3.18Å; C69-L73 VanDerWaalsContact O-N 3.14Å; I70-L73 PolarHBondContact O-N 2.87Å; I70-L73 VanDerWaalsContact O-N 3.13Å; L73-V75 HydrophobicContact CB-CG2 3.69Å; L73-V75 PolarHBondContact O-N 3.01Å
74G69.3Low77.2Confident66 Ų6660.1 Ų60.168%0.6834%0.342SS*.THydrogen-bonded Turntrans61.639.7-178.300000113.3I70I70-G74 PolarHBondContact O-N 2.83Å
75V71.4Confident77.7Confident16 Ų1658.1 Ų58.110%0.09732%0.324CS..  trans-84.7134.6-178.5-175.30000110.5I70 L73 L81I70-V75 HydrophobicContact CG2-CB 4.27Å; L73-V75 HydrophobicContact CB-CG2 3.69Å; L73-V75 PolarHBondContact O-N 3.01Å; V75-L81 HydrophobicContact CG1-CD1 3.76Å
76E68.1Low77.4Confident138 Ų13860.1 Ų60.165%0.64533%0.331SS*.  trans-64.2129.9173.1-66.3176.6174.100110.7E78E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 2.89Å
77T65.7Low76.9Confident92 Ų9264.3 Ų64.356%0.56436%0.358SS*.THydrogen-bonded Turntrans-82.1-5.1-17451.50000114L9L9-T77 HydrophobicContact CD2-CG2 3.81Å
78E68.9Low76Confident185 Ų18566 Ų6686%0.86437%0.365SS*.THydrogen-bonded Turntrans-85.3-11.7-174.3-64.3-172166.200114E76E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 2.89Å
79Q77.3Confident74.9Confident135 Ų13566.5 Ų66.563%0.63137%0.371SS*.SBendtrans-107.3156.2-179-64.1-174800112.4L81Q79-L81 PolarHBondContact O-N 2.78Å; Q79-L81 VanDerWaalsContact O-N 3.14Å
80V82.3Confident73.9Confident60 Ų6072 Ų7236%0.36440%0.404SS..  trans-59118.5172.8-178.80000108.9L10 Q12 P24 P82L10-V80 HydrophobicContact CD2-CG2 3.62Å; L10-V80 HydrophobicContact CG-CG2 4.08Å; L10-V80 WeakPolarHBondContact O-CA 3.36Å; Q12-V80 HydrophobicContact CB-CG1 3.69Å; P24-V80 HydrophobicContact CB-CG1 4.17Å; P24-V80 HydrophobicContact CB-CG2 4.46Å; P24-V80 HydrophobicContact CG-CG1 4.26Å; P24-V80 HydrophobicContact CG-CG2 4.5Å; V80-P82 VanDerWaalsContact O-CD 3.28Å; V80-P82 WeakPolarHBondContact O-CD 3.36Å
81L84.3Confident73.2Confident11 Ų1174.2 Ų74.26%0.05841%0.413CS..EExtended strand (participates in β ladder)trans-86.5115.7-179.7-170.974.1000110.1L10 I11 Q12 V56 L66 I70 V75 Q79 V83L10-L81 PolarHBondContact O-N 3.11Å; I11-L81 WeakPolarHBondContact CA-O 3.36Å; I11-L81 HydrophobicContact CG2-CB 4.25Å; I11-L81 HydrophobicContact CG2-CD2 4.46Å; Q12-L81 PolarHBondContact N-O 3.34Å; V56-L81 HydrophobicContact CG1-CD1 3.73Å; V56-L81 HydrophobicContact CG1-CD2 3.93Å; V56-L81 HydrophobicContact CG1-CG 4.05Å; V56-L81 HydrophobicContact CG2-CD2 4.28Å; L66-L81 HydrophobicContact CD1-CD2 4.42Å; L66-L81 HydrophobicContact CD2-CD2 4.42Å; I70-L81 HydrophobicContact CD1-CD2 3.74Å; I70-L81 HydrophobicContact CG1-CD2 4.06Å; V75-L81 HydrophobicContact CG1-CD1 3.76Å; Q79-L81 PolarHBondContact O-N 2.78Å; Q79-L81 VanDerWaalsContact O-N 3.14Å; L81-V83 HydrophobicContact CD2-CG2 4.43Å; L81-V83 PolarHBondContact O-N 2.96Å
82P85.4Confident72.9Confident38 Ų3873 Ų7325%0.24740%0.401CS..EExtended strand (participates in β ladder)trans-73.5121.8173.229.9-33.2000109.9Q12 Q14 V80Q12-P82 WeakPolarHBondContact O-CA 3.37Å; Q14-P82 HydrophobicContact CG-CB 4.49Å; V80-P82 VanDerWaalsContact O-CD 3.28Å; V80-P82 WeakPolarHBondContact O-CD 3.36Å
83V87.9Confident73.2Confident0 Ų067.5 Ų67.50%037%0.368CS..EExtended strand (participates in β ladder)trans-109.9108.7175.8-177.40000108.2I11 Q12 F13 Q14 F54 F55 L66 L81 Y85I11-V83 HydrophobicContact CB-CG2 4.1Å; I11-V83 HydrophobicContact CD1-CG2 4.43Å; I11-V83 HydrophobicContact CG2-CG2 4.24Å; Q12-V83 PolarHBondContact O-N 3.4Å; F13-V83 CarbonylContact C-O 3.57Å; F13-V83 WeakPolarHBondContact CA-O 3.46Å; F13-V83 HydrophobicContact CD1-CB 4.06Å; F13-V83 HydrophobicContact CD1-CG1 4.15Å; F13-V83 HydrophobicContact CE1-CB 4.3Å; F13-V83 HydrophobicContact CE1-CG1 4.08Å; Q14-V83 PolarHBondContact N-O 3.32Å; F54-V83 HydrophobicContact CB-CG1 3.78Å; F54-V83 HydrophobicContact CD1-CG1 3.78Å; F54-V83 HydrophobicContact CG-CG1 4.2Å; F55-V83 CarbonylContact O-C 3.55Å; F55-V83 WeakPolarHBondContact O-CA 3.3Å; L66-V83 HydrophobicContact CD1-CG2 4.48Å; L81-V83 HydrophobicContact CD2-CG2 4.43Å; L81-V83 PolarHBondContact O-N 2.96Å; V83-Y85 PolarHBondContact O-N 3.39Å
84V87.8Confident73.8Confident21 Ų2172.9 Ų72.913%0.12738%0.384CS..EExtended strand (participates in β ladder)trans-78.1119.4178.2-179.30000108.7Q14 F54 F55 Q86Q14-V84 HydrophobicContact CB-CG2 4.47Å; Q14-V84 CarbonylContact O-C 3.6Å; Q14-V84 VanDerWaalsContact O-CA 3.26Å; Q14-V84 WeakPolarHBondContact O-CA 3.42Å; F54-V84 CarbonylContact C-O 3.59Å; F54-V84 WeakPolarHBondContact CA-O 3.33Å; F55-V84 HydrophobicContact CB-CB 4.35Å; F55-V84 PolarHBondContact N-O 2.65Å; F55-V84 PolarHBondContact O-N 2.72Å; V84-Q86 HydrophobicContact CG1-CG 4.39Å
85Y85.8Confident74.5Confident30 Ų3070.5 Ų70.512%0.11836%0.358CS..EExtended strand (participates in β ladder)trans-95.7135.8174.165.7-90.9000110.4F13 Q14 L21 L44 L52 A53 V83F13-Y85 HydrophobicContact CB-CD1 3.83Å; F13-Y85 HydrophobicContact CB-CE1 4.03Å; F13-Y85 HydrophobicContact CD1-CD1 4.35Å; F13-Y85 HydrophobicContact CG-CD1 4.31Å; Q14-Y85 VanDerWaalsContact C-CE1 3.49Å; Q14-Y85 WeakPolarHBondContact O-CD1 3.27Å; Q14-Y85 WeakPolarHBondContact O-CE1 3.43Å; Q14-Y85 PolarHBondContact O-N 2.81Å; L21-Y85 HydrophobicContact CB-CE1 3.7Å; L21-Y85 HydrophobicContact CD2-CD1 4.36Å; L21-Y85 HydrophobicContact CD2-CE1 3.61Å; L21-Y85 HydrophobicContact CG-CE1 4.24Å; L44-Y85 HydrophobicContact CD1-CE2 4.21Å; L44-Y85 HydrophobicContact CD2-CE2 4.31Å; L52-Y85 HydrophobicContact CD2-CD2 3.87Å; A53-Y85 CarbonylContact O-C 3.54Å; A53-Y85 WeakPolarHBondContact O-CA 3.39Å; V83-Y85 PolarHBondContact O-N 3.39Å
86Q77.2Confident75.4Confident61 Ų6169.9 Ų69.929%0.28535%0.354SS..EExtended strand (participates in β ladder)trans-125.8129.5177.2-63.6-170.2-19.800109.7E16 L52 A53 F55 V84 Q88E16-Q86 HydrophobicContact CG-CG 3.77Å; E16-Q86 VanDerWaalsContact OE1-CG 3.24Å; E16-Q86 WeakPolarHBondContact OE1-CG 3.43Å; E16-Q86 PolarHBondContact OE1-NE2 3.46Å; L52-Q86 CarbonylContact C-O 3.59Å; L52-Q86 WeakPolarHBondContact CA-O 3.36Å; A53-Q86 PolarHBondContact N-O 2.96Å; A53-Q86 PolarHBondContact O-N 2.61Å; F55-Q86 HydrophobicContact CD2-CG 3.99Å; F55-Q86 HydrophobicContact CE2-CB 4.14Å; F55-Q86 HydrophobicContact CE2-CG 3.92Å; V84-Q86 HydrophobicContact CG1-CG 4.39Å; Q86-Q88 PolarHBondContact O-N 3.02Å; Q86-Q88 VanDerWaalsContact O-N 3.11Å
87P70.3Confident76.4Confident87 Ų8766 Ų6657%0.56534%0.34SS*.EExtended strand (participates in β ladder)trans-60.4117.8172.923.6-29.9000110.1V50 P51 L52V50-P87 HydrophobicContact CG1-CB 3.88Å; P51-P87 CarbonylContact O-C 3.59Å; L52-P87 HydrophobicContact CD2-CB 4.47Å
88Q61.8Low77.7Confident41 Ų4168.3 Ų68.319%0.19234%0.338CS..PPolyproline II helixtrans-71.5143.9163.5-66-167.333.200108.6P51 L52 A53 Q86 V90 R92P51-Q88 HydrophobicContact CB-CB 4.11Å; P51-Q88 HydrophobicContact CG-CB 4.28Å; P51-Q88 WeakPolarHBondContact O-CA 3.34Å; P51-Q88 WeakPolarHBondContact O-CB 3.19Å; P51-Q88 PolarHBondContact O-N 2.99Å; L52-Q88 PolarHBondContact O-NE2 3.05Å; A53-Q88 HydrophobicContact CB-CG 3.77Å; Q86-Q88 PolarHBondContact O-N 3.02Å; Q86-Q88 VanDerWaalsContact O-N 3.11Å; Q88-V90 PolarHBondContact O-N 3.49Å; Q88-R92 VanDerWaalsContact OE1-NH1 3.16Å
89A53.3Low78.8Confident49 Ų4961.3 Ų61.341%0.40531%0.309SS..PPolyproline II helixtrans-56.2125.6168.500000109.3F91A89-F91 WeakPolarHBondContact CB-O 3.29Å; A89-F91 PolarHBondContact O-N 3.06Å; A89-F91 VanDerWaalsContact O-N 3.12Å
90V54.8Low79.5Confident124 Ų12457.4 Ų57.475%0.75230%0.295SS*.SBendtrans-53.8-29.4174.2178.90000110.8P51 Q88P51-V90 HydrophobicContact CG-CG2 4.24Å; Q88-V90 PolarHBondContact O-N 3.49Å
91F63.4Low79.9Confident61 Ų6155.3 Ų55.327%0.26828%0.283SS..SBendtrans-102.6109.6172.8178.1-97.5000110A89 V93 A296 A369 D412A89-F91 WeakPolarHBondContact CB-O 3.29Å; A89-F91 PolarHBondContact O-N 3.06Å; A89-F91 VanDerWaalsContact O-N 3.12Å; F91-V93 HydrophobicContact CD1-CG2 4.24Å; F91-V93 HydrophobicContact CE1-CG2 3.41Å; F91-V93 VanDerWaalsContact CE1-CG2 3.41Å; F91-V93 HydrophobicContact CZ-CG2 3.86Å; F91-A296 HydrophobicContact CD2-CB 3.43Å; F91-A296 VanDerWaalsContact CD2-CB 3.43Å; F91-A296 HydrophobicContact CE2-CB 3.56Å; F91-A296 HydrophobicContact CG-CB 4.12Å; F91-A296 HydrophobicContact CZ-CB 4.34Å; F91-A369 HydrophobicContact CE1-CB 3.74Å; F91-A369 HydrophobicContact CZ-CB 4.41Å; F91-D412 WeakPolarHBondContact CE2-O 3.32Å; F91-D412 WeakPolarHBondContact CZ-O 3.16Å
92R71.1Confident80.4Confident141 Ų14157.5 Ų57.553%0.53230%0.297SS..  trans-113.3116.5176.5-175.7173.3-176.1156.1-3109.7Q88Q88-R92 VanDerWaalsContact OE1-NH1 3.16Å
93V79Confident80.8Confident9 Ų956.1 Ų56.16%0.05529%0.288CS..PPolyproline II helixtrans-73.1131.3176-177.80000108.6F91 A369 D370 L373 W409 G413F91-V93 HydrophobicContact CD1-CG2 4.24Å; F91-V93 HydrophobicContact CE1-CG2 3.41Å; F91-V93 VanDerWaalsContact CE1-CG2 3.41Å; F91-V93 HydrophobicContact CZ-CG2 3.86Å; V93-A369 HydrophobicContact CG2-CB 4.12Å; V93-D370 HydrophobicContact CG2-CB 4.06Å; V93-D370 PolarHBondContact N-OD2 3.32Å; V93-L373 HydrophobicContact CG1-CD1 4.49Å; V93-W409 HydrophobicContact CG1-CZ2 3.59Å; V93-G413 WeakPolarHBondContact CG1-O 3.43Å
94R84.2Confident81Confident166 Ų16663.1 Ų63.163%0.62632%0.32SS*.PPolyproline II helixtrans-97.3149.4173.8-64.8-174.8179.2-179.50.5109.2V96R94-V96 PolarHBondContact O-N 2.9Å
95A83.5Confident81.2Confident15 Ų1563.6 Ų63.612%0.12433%0.329CS..PPolyproline II helixtrans-62.8136.3175.900000110.4L373 V385 M395A95-L373 HydrophobicContact CB-CD1 3.97Å; A95-V385 HydrophobicContact CB-CG1 4.11Å; A95-M395 HydrophobicContact CB-CG 4.01Å
96V90.7Very high81.6Confident3 Ų362.8 Ų62.82%0.01833%0.327CS..PPolyproline II helixtrans-70.2143.3168.3-73.30000109.6R94 V385 L397 V416 W428R94-V96 PolarHBondContact O-N 2.9Å; V96-V385 HydrophobicContact CG2-CG2 3.84Å; V96-L397 HydrophobicContact CG2-CD1 3.74Å; V96-V416 HydrophobicContact CB-CG2 4.48Å; V96-V416 HydrophobicContact CG1-CB 4.33Å; V96-V416 HydrophobicContact CG1-CG2 3.96Å; V96-V416 HydrophobicContact CG2-CB 4.08Å; V96-V416 HydrophobicContact CG2-CG2 3.67Å; V96-W428 HydrophobicContact CB-CB 4.13Å; V96-W428 HydrophobicContact CG1-CB 4.47Å; V96-W428 HydrophobicContact CG2-CB 4.32Å
97T90.7Very high82.5Confident56 Ų5664.2 Ų64.234%0.34434%0.34SS..  trans-127.2-23.1-16937.10000114.4M395 L397 R429 R430T97-M395 HydrophobicContact CG2-CE 3.77Å; T97-M395 HydrophobicContact CG2-CG 4.09Å; T97-M395 HydrophobicContact CG2-SD 3.86Å; T97-L397 WeakPolarHBondContact O-CD2 3.43Å; T97-R429 PolarHBondContact N-O 3.47Å; T97-R430 VanDerWaalsContact OG1-CA 3.29Å; T97-R430 WeakPolarHBondContact OG1-CA 3.24Å; T97-R430 PolarHBondContact OG1-OXT 3.01Å
98R91.2Very high83.7Confident141 Ų14163.9 Ų63.953%0.53233%0.331SS..EExtended strand (participates in β ladder)trans-147153.6178.967.1175.3-173.5-75.7-21.1113.2T100 W428 R429 R430R98-T100 HydrophobicContact CG-CG2 4.47Å; R98-T100 PolarHBondContact O-N 2.73Å; R98-W428 VanDerWaalsContact O-CA 3.29Å; R98-W428 WeakPolarHBondContact O-CA 3.49Å; R98-R429 PolarHBondContact N-O 3.42Å; R98-R429 PolarHBondContact O-N 3.11Å; R98-R429 VanDerWaalsContact O-O 3.11Å; R98-R430 PolarHBondContact NH1-O 2.68Å; R98-R430 PolarHBondContact NH1-OXT 3.41Å; R98-R430 PolarHBondContact NH2-O 2.93Å
99C93Very high85.4Confident38 Ų3863 Ų6326%0.25733%0.33SS..EExtended strand (participates in β ladder)trans-71.1122.1166.9-178.10000108.4R426 W428C99-R426 PolarHBondContact SG-NH1 2.75Å; C99-R426 VanDerWaalsContact SG-NH1 3.39Å; C99-W428 HydrophobicContact CB-CD2 4.22Å; C99-W428 HydrophobicContact CB-CE3 3.8Å; C99-W428 HydrophobicContact CB-CH2 4.06Å; C99-W428 HydrophobicContact CB-CZ2 4.45Å; C99-W428 HydrophobicContact CB-CZ3 3.71Å; C99-W428 VanDerWaalsContact N-CE3 3.3Å
100T91.4Very high87.4Confident54 Ų5460.7 Ų60.733%0.33131%0.311SS..EExtended strand (participates in β ladder)trans-94.3-36.8175.657.50000112R98 I427 R429R98-T100 HydrophobicContact CG-CG2 4.47Å; R98-T100 PolarHBondContact O-N 2.73Å; T100-I427 PolarHBondContact N-O 2.76Å; T100-I427 PolarHBondContact OG1-O 2.86Å; T100-R429 HydrophobicContact CG2-CB 3.59Å; T100-R429 HydrophobicContact CG2-CG 3.74Å
101S91.6Very high89.4Confident16 Ų1656.5 Ų56.511%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-147144-164.8-41.40000110.7E139 R426 I427S101-E139 WeakPolarHBondContact CB-OE2 3.08Å; S101-E139 PolarHBondContact OG-OE1 2.79Å; S101-E139 PolarHBondContact OG-OE2 2.85Å; S101-R426 WeakPolarHBondContact O-CA 3.48Å; S101-I427 PolarHBondContact N-O 3.49Å; S101-I427 PolarHBondContact O-N 3.18Å
102T93.9Very high90.9Very high57 Ų5754 Ų5435%0.3527%0.274SS..EExtended strand (participates in β ladder)trans-121.1112.4174.9-55.90000108.3Q104 C424 L425 R426T102-Q104 HydrophobicContact CG2-CG 4.37Å; T102-C424 HydrophobicContact CG2-CB 3.74Å; T102-L425 CarbonylContact C-O 3.52Å; T102-L425 WeakPolarHBondContact CA-O 3.48Å; T102-R426 HydrophobicContact CG2-CG 4.47Å; T102-R426 PolarHBondContact OG1-NH1 2.9Å
103L93.8Very high92.1Very high9 Ų947.6 Ų47.65%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-91.4112.5178.4-45.3173.9000108.4L122 W134 L136 E139 L425 I427L103-L122 HydrophobicContact CD1-CD2 4.5Å; L103-W134 HydrophobicContact CB-CD2 4.42Å; L103-W134 HydrophobicContact CB-CE3 3.83Å; L103-W134 HydrophobicContact CB-CH2 4.3Å; L103-W134 HydrophobicContact CB-CZ3 3.76Å; L103-W134 HydrophobicContact CD1-CB 4.17Å; L103-W134 HydrophobicContact CD1-CD2 4.11Å; L103-W134 HydrophobicContact CD1-CE3 4.04Å; L103-W134 HydrophobicContact CD1-CG 4.17Å; L103-W134 HydrophobicContact CG-CE3 4.44Å; L103-L136 HydrophobicContact CD1-CD2 4.47Å; L103-E139 HydrophobicContact CD2-CB 3.89Å; L103-E139 VanDerWaalsContact CD2-O 3.26Å; L103-E139 WeakPolarHBondContact CD2-O 3.4Å; L103-L425 HydrophobicContact CB-CB 4.08Å; L103-L425 HydrophobicContact CD1-CB 4.46Å; L103-L425 PolarHBondContact N-O 2.81Å; L103-L425 PolarHBondContact O-N 2.97Å; L103-I427 HydrophobicContact CD1-CD1 4.27Å; L103-I427 HydrophobicContact CD1-CG1 4.18Å; L103-I427 HydrophobicContact CG-CG1 4.42Å
104Q92.4Very high93Very high147 Ų14747.8 Ų47.869%0.68725%0.253SS*.  trans-97.2147.6177.6-64.3-174-500110.6T102 W134T102-Q104 HydrophobicContact CG2-CG 4.37Å; Q104-W134 WeakPolarHBondContact O-CH2 3.35Å
105G91.1Very high93.5Very high31 Ų3139.9 Ų39.932%0.3222%0.224SC..  trans165.8-34.4170.500000114.5R132G105-R132 VanDerWaalsContact CA-NH1 3.27Å; G105-R132 PolarHBondContact O-NH1 3.45Å; G105-R132 VanDerWaalsContact O-NH1 3.09Å; G105-R132 PolarHBondContact O-NH2 2.92Å
106H95.7Very high93.9Very high13 Ų1339.2 Ų39.26%0.0622%0.218CC..  trans-67.2142.9176.5-78.8-64.1000111.6V110 S124 S126 D128 R132H106-V110 HydrophobicContact CB-CG2 4.16Å; H106-S124 PolarHBondContact NE2-OG 2.89Å; H106-S126 WeakPolarHBondContact CE1-CB 3.32Å; H106-S126 WeakPolarHBondContact ND1-CB 3.46Å; H106-D128 WeakPolarHBondContact CA-OD2 3.37Å; H106-D128 IonicContact CE1-OD1 3.56Å; H106-D128 IonicContact CE1-OD2 3.44Å; H106-D128 IonicContact CG-OD2 3.47Å; H106-D128 IonicContact ND1-OD1 2.88Å; H106-D128 PolarHBondContact ND1-OD1 2.74Å; H106-D128 IonicContact ND1-OD2 2.75Å; H106-D128 PolarHBondContact ND1-OD2 3.43Å; H106-R132 VanDerWaalsContact CE1-CD 3.46Å; H106-R132 WeakPolarHBondContact CE1-CD 3.34Å
107T95.3Very high93.9Very high91 Ų9139 Ų3956%0.55822%0.217SC*.SBendtrans-92.9-18.5-179.758.20000112.9D128 K423T107-D128 PolarHBondContact N-OD2 3.34Å; T107-D128 WeakPolarHBondContact OG1-CB 3.35Å; T107-K423 VanDerWaalsContact O-CD 3.29Å; T107-K423 WeakPolarHBondContact O-CD 3.5Å; T107-K423 WeakPolarHBondContact O-CE 3.26Å; T107-K423 PolarHBondContact O-NZ 2.79Å
108E96.4Very high93.6Very high80 Ų8036.8 Ų36.837%0.37420%0.203SC..SBendtrans-125.8179.4174-61.8-156.9151.800111.8S126 G127 D128 W151E108-S126 PolarHBondContact O-OG 3.15Å; E108-S126 VanDerWaalsContact O-OG 3.09Å; E108-G127 VanDerWaalsContact OE2-CA 3.29Å; E108-G127 WeakPolarHBondContact OE2-CA 3.45Å; E108-D128 HydrophobicContact CB-CB 4.24Å; E108-D128 HydrophobicContact CG-CB 4.28Å; E108-W151 PolarHBondContact OE2-NE1 2.9Å
109A96.1Very high93.4Very high22 Ų2230.1 Ų30.118%0.18218%0.178CC..  trans-53.7139-178.800000112.2S126 G127 Y405 G420 K421A109-S126 VanDerWaalsContact O-CA 3.28Å; A109-S126 WeakPolarHBondContact O-CA 3.08Å; A109-S126 WeakPolarHBondContact O-CB 3.26Å; A109-S126 PolarHBondContact O-OG 2.89Å; A109-G127 PolarHBondContact O-N 3.26Å; A109-Y405 HydrophobicContact CB-CD2 4.37Å; A109-Y405 HydrophobicContact CB-CE2 4.03Å; A109-G420 WeakPolarHBondContact CA-O 3.39Å; A109-K421 HydrophobicContact CB-CB 4.5Å
110V97.2Very high93.1Very high0 Ų032.3 Ų32.30%018%0.183CC..EExtended strand (participates in β ladder)trans-85.2115.8172-177.50000107.9H106 G420 L425H106-V110 HydrophobicContact CB-CG2 4.16Å; V110-G420 PolarHBondContact N-O 3.28Å; V110-L425 HydrophobicContact CG1-CD2 3.89Å; V110-L425 HydrophobicContact CG1-CG 4.34Å; V110-L425 HydrophobicContact CG2-CG 4.4Å
111I95.9Very high93.1Very high36 Ų3633.3 Ų33.319%0.18518%0.181CC..EExtended strand (participates in β ladder)trans-98.3-32.1-171.7-55.2175.2000111G125 W151 L153I111-G125 PolarHBondContact N-O 2.82Å; I111-W151 HydrophobicContact CD1-CB 4.15Å; I111-W151 HydrophobicContact CD1-CD2 4.46Å; I111-W151 HydrophobicContact CD1-CE3 4.11Å; I111-L153 HydrophobicContact CD1-CD2 3.9Å; I111-L153 HydrophobicContact CG2-CD2 4.24Å
112S95.6Very high93.3Very high10 Ų1032.6 Ų32.67%0.0718%0.176CC..EExtended strand (participates in β ladder)trans-141144.5-179.953.70000111.3S124 G125S112-S124 CarbonylContact O-C 3.53Å; S112-S124 VanDerWaalsContact O-CA 3.29Å; S112-S124 WeakPolarHBondContact O-CA 3.49Å; S112-G125 PolarHBondContact N-O 3.24Å; S112-G125 VanDerWaalsContact N-O 3.14Å; S112-G125 PolarHBondContact O-N 3.26Å
113T96.6Very high93.5Very high6 Ų629.9 Ų29.94%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-140.6141.1177.4-168.20000109A123 A406 D408T113-A123 WeakPolarHBondContact CA-O 3.25Å; T113-A406 HydrophobicContact CG2-CB 3.7Å; T113-D408 HydrophobicContact CG2-CB 4.21Å
114A96.1Very high93.6Very high13 Ų1329.4 Ų29.411%0.10716%0.157CC..EExtended strand (participates in β ladder)trans-152.5127.4178.800000111A123 I155 W157 D408A114-A123 PolarHBondContact N-O 3.3Å; A114-A123 PolarHBondContact O-N 3.22Å; A114-I155 HydrophobicContact CB-CD1 3.99Å; A114-I155 HydrophobicContact CB-CG1 3.95Å; A114-W157 PolarHBondContact O-NE1 3.35Å; A114-D408 VanDerWaalsContact CA-OD2 3.3Å; A114-D408 WeakPolarHBondContact CA-OD2 3.34Å
115F95.1Very high93.8Very high0 Ų022.4 Ų22.40%012%0.124CC..EExtended strand (participates in β ladder)trans-69.5143.7169.8-74.2-85.5000110.3L122 L136 D408 R415 A417F115-L122 HydrophobicContact CD1-CD1 3.86Å; F115-L122 HydrophobicContact CD2-CD1 4.03Å; F115-L122 HydrophobicContact CE1-CD1 4.03Å; F115-L122 HydrophobicContact CE2-CD1 4.18Å; F115-L122 HydrophobicContact CG-CD1 3.86Å; F115-L122 HydrophobicContact CZ-CD1 4.19Å; F115-L136 HydrophobicContact CD1-CD1 3.5Å; F115-L136 VanDerWaalsContact CD1-CD1 3.5Å; F115-L136 HydrophobicContact CE1-CD1 3.34Å; F115-D408 HydrophobicContact CD2-CB 3.94Å; F115-D408 WeakPolarHBondContact CD2-OD2 3.48Å; F115-D408 HydrophobicContact CE2-CB 4.33Å; F115-D408 WeakPolarHBondContact CE2-O 3.29Å; F115-D408 PolarHBondContact N-OD2 2.95Å; F115-R415 HydrophobicContact CE1-CB 4.28Å; F115-R415 HydrophobicContact CZ-CB 3.99Å; F115-A417 HydrophobicContact CD2-CB 4.33Å; F115-A417 HydrophobicContact CE1-CB 4.41Å; F115-A417 HydrophobicContact CE2-CB 3.41Å; F115-A417 VanDerWaalsContact CE2-CB 3.41Å; F115-A417 HydrophobicContact CZ-CB 3.45Å; F115-A417 VanDerWaalsContact CZ-CB 3.45Å
116S92.7Very high94.1Very high0 Ų021 Ų210%011%0.109CC..  trans-60.3155.8166.360.90000110.1T118 G119 Y121 P411S116-T118 PolarHBondContact O-N 3.31Å; S116-T118 PolarHBondContact OG-OG1 3.42Å; S116-G119 PolarHBondContact O-N 2.81Å; S116-G119 PolarHBondContact OG-N 3.14Å; S116-Y121 PolarHBondContact N-O 3.37Å; S116-Y121 PolarHBondContact OG-N 3.06Å; S116-Y121 PolarHBondContact OG-O 2.81Å; S116-Y121 VanDerWaalsContact OG-O 3.1Å; S116-P411 VanDerWaalsContact O-CG 3.3Å; S116-P411 WeakPolarHBondContact O-CG 3.48Å
117P89.9Confident94.1Very high0 Ų020.5 Ų20.50%011%0.108CC..THydrogen-bonded Turntrans-55.1-25.9174.7-27.536000113.5W157 S158 R289 F293 P302 P411P117-W157 HydrophobicContact CG-CB 4.34Å; P117-S158 VanDerWaalsContact CG-O 3.31Å; P117-S158 WeakPolarHBondContact CG-O 3.41Å; P117-R289 WeakPolarHBondContact CB-O 3.14Å; P117-F293 VanDerWaalsContact O-CE1 3.31Å; P117-F293 WeakPolarHBondContact O-CE1 3.2Å; P117-P302 HydrophobicContact CB-CG 4.18Å; P117-P411 WeakPolarHBondContact O-CG 3.43Å
118T84.6Confident94.1Very high9 Ų917.1 Ų17.16%0.0559%0.086CC..THydrogen-bonded Turntrans-71.9-25.5172.652.70000114.9S116 K120 F293 N301 P302S116-T118 PolarHBondContact O-N 3.31Å; S116-T118 PolarHBondContact OG-OG1 3.42Å; T118-K120 PolarHBondContact O-N 3.4Å; T118-K120 PolarHBondContact OG1-N 3.14Å; T118-K120 VanDerWaalsContact OG1-N 3.16Å; T118-F293 HydrophobicContact CG2-CZ 4.42Å; T118-N301 HydrophobicContact CG2-CB 3.87Å; T118-P302 HydrophobicContact CG2-CG 3.85Å
119G86.6Confident94.1Very high0 Ų015.6 Ų15.60%08%0.083CC..SBendtrans70.4-0.2-164.200000114.9S116 L136 R415S116-G119 PolarHBondContact O-N 2.81Å; S116-G119 PolarHBondContact OG-N 3.14Å; G119-L136 WeakPolarHBondContact O-CD1 3.37Å; G119-R415 PolarHBondContact O-NH2 3.08Å
120K87.3Confident94.1Very high84 Ų8414.9 Ų14.937%0.3658%0.076SC..SBendtrans-79.9-32.3178.9-68.4-178.6179.8172.80113T118 L136 N301T118-K120 PolarHBondContact O-N 3.4Å; T118-K120 PolarHBondContact OG1-N 3.14Å; T118-K120 VanDerWaalsContact OG1-N 3.16Å; K120-L136 VanDerWaalsContact O-CB 3.3Å; K120-L136 WeakPolarHBondContact O-CB 3.45Å; K120-L136 PolarHBondContact O-N 2.8Å; K120-N301 WeakPolarHBondContact CE-OD1 3.37Å; K120-N301 PolarHBondContact NZ-OD1 2.76Å
121Y92.1Very high94.1Very high76 Ų7614.9 Ų14.930%0.2988%0.076SC..EExtended strand (participates in β ladder)trans-115153.8-179.8-56.8-73000110.8S116 W134 D135S116-Y121 PolarHBondContact N-O 3.37Å; S116-Y121 PolarHBondContact OG-N 3.06Å; S116-Y121 PolarHBondContact OG-O 2.81Å; S116-Y121 VanDerWaalsContact OG-O 3.1Å; Y121-W134 CarbonylContact C-O 3.49Å; Y121-W134 VanDerWaalsContact CA-O 3.3Å; Y121-W134 WeakPolarHBondContact CA-O 3.36Å; Y121-D135 HydrophobicContact CD1-CB 4.36Å; Y121-D135 HydrophobicContact CE1-CB 4.34Å
122L95.3Very high94.2Very high0 Ų014.9 Ų14.90%07%0.073CC..EExtended strand (participates in β ladder)trans-120.5140169.5-172.671.6000108.6L103 F115 F133 W134 L136 A417 L425 I427L103-L122 HydrophobicContact CD1-CD2 4.5Å; F115-L122 HydrophobicContact CD1-CD1 3.86Å; F115-L122 HydrophobicContact CD2-CD1 4.03Å; F115-L122 HydrophobicContact CE1-CD1 4.03Å; F115-L122 HydrophobicContact CE2-CD1 4.18Å; F115-L122 HydrophobicContact CG-CD1 3.86Å; F115-L122 HydrophobicContact CZ-CD1 4.19Å; L122-F133 CarbonylContact O-C 3.42Å; L122-F133 WeakPolarHBondContact O-CA 3.35Å; L122-W134 HydrophobicContact CB-CB 4.17Å; L122-W134 PolarHBondContact N-O 2.93Å; L122-W134 PolarHBondContact O-N 3.01Å; L122-L136 HydrophobicContact CB-CD1 4.05Å; L122-L136 HydrophobicContact CB-CD2 3.99Å; L122-L136 HydrophobicContact CB-CG 4.08Å; L122-L136 HydrophobicContact CD2-CD2 4.43Å; L122-A417 HydrophobicContact CD1-CB 3.67Å; L122-A417 HydrophobicContact CD2-CB 3.87Å; L122-A417 HydrophobicContact CG-CB 4.45Å; L122-L425 HydrophobicContact CD2-CD1 4.38Å; L122-L425 HydrophobicContact CD2-CD2 4.25Å; L122-I427 HydrophobicContact CD2-CD1 4.05Å
123A97Very high94.2Very high0 Ų014.5 Ų14.50%07%0.071CC..EExtended strand (participates in β ladder)trans-110146.3166.500000109.9T113 A114 R132 F133 I155 W157 L164T113-A123 WeakPolarHBondContact CA-O 3.25Å; A114-A123 PolarHBondContact N-O 3.3Å; A114-A123 PolarHBondContact O-N 3.22Å; A123-R132 CarbonylContact C-O 3.55Å; A123-R132 VanDerWaalsContact CA-O 3.27Å; A123-R132 WeakPolarHBondContact CA-O 3.37Å; A123-F133 HydrophobicContact CB-CD1 4.22Å; A123-F133 HydrophobicContact CB-CE1 4.25Å; A123-I155 VanDerWaalsContact C-CD1 3.46Å; A123-I155 HydrophobicContact CB-CD1 3.86Å; A123-I155 WeakPolarHBondContact O-CD1 3.35Å; A123-W157 HydrophobicContact CB-CZ2 3.69Å; A123-L164 HydrophobicContact CB-CD1 3.87Å; A123-L164 HydrophobicContact CB-CD2 3.67Å; A123-L164 HydrophobicContact CB-CG 4.45Å
124S97.3Very high94.2Very high0 Ų014.3 Ų14.30%07%0.069CC..EExtended strand (participates in β ladder)trans-136.9140.6173.859.70000111.9H106 S112 V131 R132 W134H106-S124 PolarHBondContact NE2-OG 2.89Å; S112-S124 CarbonylContact O-C 3.53Å; S112-S124 VanDerWaalsContact O-CA 3.29Å; S112-S124 WeakPolarHBondContact O-CA 3.49Å; S124-V131 CarbonylContact O-C 3.58Å; S124-V131 VanDerWaalsContact O-CA 3.3Å; S124-V131 WeakPolarHBondContact O-CA 3.26Å; S124-R132 PolarHBondContact N-O 3.11Å; S124-R132 PolarHBondContact O-N 2.68Å; S124-W134 PolarHBondContact OG-NE1 3.42Å
125G97Very high94Very high0 Ų014.9 Ų14.90%07%0.071CC..EExtended strand (participates in β ladder)trans-113.1133.8172.800000110.5I111 S112I111-G125 PolarHBondContact N-O 2.82Å; S112-G125 PolarHBondContact N-O 3.24Å; S112-G125 VanDerWaalsContact N-O 3.14Å; S112-G125 PolarHBondContact O-N 3.26Å
126S97.1Very high93.8Very high0 Ų015 Ų150%07%0.071CC..EExtended strand (participates in β ladder)trans-127.1164.7-174.9174.20000112.9H106 E108 A109 D128 T129 T130 V152H106-S126 WeakPolarHBondContact CE1-CB 3.32Å; H106-S126 WeakPolarHBondContact ND1-CB 3.46Å; E108-S126 PolarHBondContact O-OG 3.15Å; E108-S126 VanDerWaalsContact O-OG 3.09Å; A109-S126 VanDerWaalsContact O-CA 3.28Å; A109-S126 WeakPolarHBondContact O-CA 3.08Å; A109-S126 WeakPolarHBondContact O-CB 3.26Å; A109-S126 PolarHBondContact O-OG 2.89Å; S126-D128 WeakPolarHBondContact CB-OD1 3.5Å; S126-D128 PolarHBondContact O-N 2.67Å; S126-D128 PolarHBondContact OG-N 3.2Å; S126-T129 PolarHBondContact O-N 3.45Å; S126-T130 PolarHBondContact N-O 3.45Å; S126-V152 PolarHBondContact O-N 3.44Å
127G95.7Very high93.6Very high3 Ų319.9 Ų19.93%0.03110%0.101CC..THydrogen-bonded Turntrans-58.1-23.4165.700000113.4E108 A109 T129 W151E108-G127 VanDerWaalsContact OE2-CA 3.29Å; E108-G127 WeakPolarHBondContact OE2-CA 3.45Å; A109-G127 PolarHBondContact O-N 3.26Å; G127-T129 PolarHBondContact O-N 3.08Å; G127-W151 PolarHBondContact O-NE1 3.08Å
128D95.4Very high93.5Very high21 Ų2123.8 Ų23.811%0.11213%0.125CC..THydrogen-bonded Turntrans-70.410.3179.372.69.2000114.8H106 T107 E108 S126 T130H106-D128 WeakPolarHBondContact CA-OD2 3.37Å; H106-D128 IonicContact CE1-OD1 3.56Å; H106-D128 IonicContact CE1-OD2 3.44Å; H106-D128 IonicContact CG-OD2 3.47Å; H106-D128 IonicContact ND1-OD1 2.88Å; H106-D128 PolarHBondContact ND1-OD1 2.74Å; H106-D128 IonicContact ND1-OD2 2.75Å; H106-D128 PolarHBondContact ND1-OD2 3.43Å; T107-D128 PolarHBondContact N-OD2 3.34Å; T107-D128 WeakPolarHBondContact OG1-CB 3.35Å; E108-D128 HydrophobicContact CB-CB 4.24Å; E108-D128 HydrophobicContact CG-CB 4.28Å; S126-D128 WeakPolarHBondContact CB-OD1 3.5Å; S126-D128 PolarHBondContact O-N 2.67Å; S126-D128 PolarHBondContact OG-N 3.2Å; D128-T130 VanDerWaalsContact CG-OG1 3.26Å; D128-T130 PolarHBondContact O-N 2.73Å; D128-T130 WeakPolarHBondContact OD1-CA 3.3Å; D128-T130 WeakPolarHBondContact OD1-CB 3.47Å; D128-T130 PolarHBondContact OD1-N 3.07Å; D128-T130 PolarHBondContact OD1-OG1 3.13Å; D128-T130 PolarHBondContact OD2-OG1 2.77Å
129T95.9Very high93.8Very high48 Ų4826.1 Ų26.129%0.29414%0.135SC..SBendtrans63.414.1-179.485.30000114.2S126 G127 H148S126-T129 PolarHBondContact O-N 3.45Å; G127-T129 PolarHBondContact O-N 3.08Å; T129-H148 WeakPolarHBondContact CB-O 3.44Å; T129-H148 PolarHBondContact OG1-O 3.31Å
130T96.4Very high93.9Very high6 Ų629.2 Ų29.24%0.03715%0.154CC..EExtended strand (participates in β ladder)trans-109.7151.9177.6740000112.3S126 D128 T144 R146S126-T130 PolarHBondContact N-O 3.45Å; D128-T130 VanDerWaalsContact CG-OG1 3.26Å; D128-T130 PolarHBondContact O-N 2.73Å; D128-T130 WeakPolarHBondContact OD1-CA 3.3Å; D128-T130 WeakPolarHBondContact OD1-CB 3.47Å; D128-T130 PolarHBondContact OD1-N 3.07Å; D128-T130 PolarHBondContact OD1-OG1 3.13Å; D128-T130 PolarHBondContact OD2-OG1 2.77Å; T130-T144 HydrophobicContact CG2-CG2 4.12Å; T130-R146 HydrophobicContact CG2-CG 4.18Å
131V97.3Very high94.2Very high0 Ų028.9 Ų28.90%016%0.161CC..EExtended strand (participates in β ladder)trans-104.6132.3162.4178.20000107.1S124 F133 A145 V152 L164S124-V131 CarbonylContact O-C 3.58Å; S124-V131 VanDerWaalsContact O-CA 3.3Å; S124-V131 WeakPolarHBondContact O-CA 3.26Å; V131-F133 HydrophobicContact CG1-CE2 4.33Å; V131-F133 HydrophobicContact CG1-CZ 4.49Å; V131-A145 HydrophobicContact CB-CB 4.02Å; V131-A145 PolarHBondContact N-O 2.56Å; V131-A145 VanDerWaalsContact N-O 3.07Å; V131-A145 WeakPolarHBondContact O-CB 3.34Å; V131-A145 PolarHBondContact O-N 3Å; V131-V152 HydrophobicContact CG2-CG1 3.96Å; V131-V152 HydrophobicContact CG2-CG2 4.05Å; V131-L164 HydrophobicContact CG1-CD2 3.56Å
132R96.9Very high94.2Very high36 Ų3628.8 Ų28.814%0.13616%0.163CC..EExtended strand (participates in β ladder)trans-116.5140.9176-68.7-176.1-177.1-142.65.3110.9G105 H106 A123 S124 W134 H143 T144G105-R132 VanDerWaalsContact CA-NH1 3.27Å; G105-R132 PolarHBondContact O-NH1 3.45Å; G105-R132 VanDerWaalsContact O-NH1 3.09Å; G105-R132 PolarHBondContact O-NH2 2.92Å; H106-R132 VanDerWaalsContact CE1-CD 3.46Å; H106-R132 WeakPolarHBondContact CE1-CD 3.34Å; A123-R132 CarbonylContact C-O 3.55Å; A123-R132 VanDerWaalsContact CA-O 3.27Å; A123-R132 WeakPolarHBondContact CA-O 3.37Å; S124-R132 PolarHBondContact N-O 3.11Å; S124-R132 PolarHBondContact O-N 2.68Å; R132-W134 HydrophobicContact CB-CZ2 3.95Å; R132-W134 HydrophobicContact CG-CZ2 4.5Å; R132-H143 WeakPolarHBondContact CA-O 3.18Å; R132-T144 HydrophobicContact CG-CG2 4.19Å
133F96.6Very high94.2Very high2 Ų231.3 Ų31.31%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-105.1137.4169.7-63-88000108.4L122 A123 V131 H142 H143 A145 W157 L164 W176 P178L122-F133 CarbonylContact O-C 3.42Å; L122-F133 WeakPolarHBondContact O-CA 3.35Å; A123-F133 HydrophobicContact CB-CD1 4.22Å; A123-F133 HydrophobicContact CB-CE1 4.25Å; V131-F133 HydrophobicContact CG1-CE2 4.33Å; V131-F133 HydrophobicContact CG1-CZ 4.49Å; F133-H142 HydrophobicContact CB-CB 4.32Å; F133-H142 WeakPolarHBondContact O-CA 3.5Å; F133-H142 WeakPolarHBondContact O-CB 3.22Å; F133-H142 PolarHBondContact O-N 3.05Å; F133-H143 HydrophobicContact CB-CB 4.24Å; F133-H143 HydrophobicContact CD2-CB 3.99Å; F133-H143 PolarHBondContact N-O 2.9Å; F133-H143 PolarHBondContact O-N 2.79Å; F133-A145 HydrophobicContact CE2-CB 4.22Å; F133-W157 AromaticContact CD1-CH2 3.74Å; F133-W157 HydrophobicContact CD1-CH2 3.74Å; F133-W157 AromaticContact CD1-CZ2 3.87Å; F133-W157 HydrophobicContact CD1-CZ2 3.87Å; F133-W157 AromaticContact CE1-CH2 3.66Å; F133-W157 HydrophobicContact CE1-CH2 3.66Å; F133-W157 AromaticContact CE1-CZ2 3.88Å; F133-W157 HydrophobicContact CE1-CZ2 3.88Å; F133-W157 HydrophobicContact CE1-CZ3 4.4Å; F133-L164 HydrophobicContact CE1-CB 4.04Å; F133-L164 HydrophobicContact CE1-CD2 3.54Å; F133-L164 HydrophobicContact CE1-CG 4.31Å; F133-L164 HydrophobicContact CE2-CD2 4.41Å; F133-L164 HydrophobicContact CZ-CB 3.99Å; F133-L164 HydrophobicContact CZ-CD2 3.44Å; F133-L164 VanDerWaalsContact CZ-CD2 3.44Å; F133-L164 HydrophobicContact CZ-CG 4.33Å; F133-W176 HydrophobicContact CE2-CB 4.34Å; F133-W176 HydrophobicContact CZ-CB 3.99Å; F133-P178 HydrophobicContact CD1-CB 4.2Å; F133-P178 HydrophobicContact CE1-CB 3.74Å; F133-P178 HydrophobicContact CZ-CB 4.31Å
134W95.4Very high94.1Very high2 Ų234.1 Ų34.11%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-124.7135.1-179.4-46.981.6000108.5L103 Q104 Y121 L122 S124 R132 T140 P141 L425L103-W134 HydrophobicContact CB-CD2 4.42Å; L103-W134 HydrophobicContact CB-CE3 3.83Å; L103-W134 HydrophobicContact CB-CH2 4.3Å; L103-W134 HydrophobicContact CB-CZ3 3.76Å; L103-W134 HydrophobicContact CD1-CB 4.17Å; L103-W134 HydrophobicContact CD1-CD2 4.11Å; L103-W134 HydrophobicContact CD1-CE3 4.04Å; L103-W134 HydrophobicContact CD1-CG 4.17Å; L103-W134 HydrophobicContact CG-CE3 4.44Å; Q104-W134 WeakPolarHBondContact O-CH2 3.35Å; Y121-W134 CarbonylContact C-O 3.49Å; Y121-W134 VanDerWaalsContact CA-O 3.3Å; Y121-W134 WeakPolarHBondContact CA-O 3.36Å; L122-W134 HydrophobicContact CB-CB 4.17Å; L122-W134 PolarHBondContact N-O 2.93Å; L122-W134 PolarHBondContact O-N 3.01Å; S124-W134 PolarHBondContact OG-NE1 3.42Å; R132-W134 HydrophobicContact CB-CZ2 3.95Å; R132-W134 HydrophobicContact CG-CZ2 4.5Å; W134-T140 WeakPolarHBondContact CA-O 3.36Å; W134-P141 HydrophobicContact CE3-CB 4Å; W134-P141 HydrophobicContact CZ3-CB 3.89Å; W134-L425 HydrophobicContact CD2-CD1 4.14Å; W134-L425 HydrophobicContact CG-CD1 4.46Å; W134-L425 HydrophobicContact CH2-CD1 4.44Å; W134-L425 HydrophobicContact CZ2-CD1 3.54Å
135D93Very high94Very high26 Ų2634.2 Ų34.214%0.13919%0.193CC..EExtended strand (participates in β ladder)trans-87.7119.5169172.917.8000108.3Y121 T137 T138 E139 T140 H142Y121-D135 HydrophobicContact CD1-CB 4.36Å; Y121-D135 HydrophobicContact CE1-CB 4.34Å; D135-T137 WeakPolarHBondContact OD1-CB 3.35Å; D135-T137 PolarHBondContact OD1-N 3.31Å; D135-T137 PolarHBondContact OD1-OG1 2.81Å; D135-T137 PolarHBondContact OD2-OG1 2.9Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.43Å; D135-T138 PolarHBondContact OD2-OG1 3.43Å; D135-E139 CarbonylContact O-C 3.49Å; D135-E139 WeakPolarHBondContact O-CA 3.28Å; D135-E139 PolarHBondContact O-N 3.25Å; D135-T140 PolarHBondContact N-O 2.81Å; D135-T140 PolarHBondContact O-N 2.93Å; D135-T140 VanDerWaalsContact O-N 3.13Å; D135-H142 HydrophobicContact CB-CB 4.45Å
136L90.4Very high93.8Very high2 Ų243.5 Ų43.51%0.0123%0.228CC..THydrogen-bonded Turntrans-88.5-7-177.5-60.4164.8000113.2L103 F115 G119 K120 L122 R415 I427L103-L136 HydrophobicContact CD1-CD2 4.47Å; F115-L136 HydrophobicContact CD1-CD1 3.5Å; F115-L136 VanDerWaalsContact CD1-CD1 3.5Å; F115-L136 HydrophobicContact CE1-CD1 3.34Å; G119-L136 WeakPolarHBondContact O-CD1 3.37Å; K120-L136 VanDerWaalsContact O-CB 3.3Å; K120-L136 WeakPolarHBondContact O-CB 3.45Å; K120-L136 PolarHBondContact O-N 2.8Å; L122-L136 HydrophobicContact CB-CD1 4.05Å; L122-L136 HydrophobicContact CB-CD2 3.99Å; L122-L136 HydrophobicContact CB-CG 4.08Å; L122-L136 HydrophobicContact CD2-CD2 4.43Å; L136-R415 VanDerWaalsContact CB-NH1 3.27Å; L136-I427 HydrophobicContact CD2-CD1 3.81Å; L136-I427 HydrophobicContact CD2-CG1 4.27Å
137T88.2Confident93.5Very high102 Ų10245.4 Ų45.463%0.62625%0.248SC*.THydrogen-bonded Turntrans-74.7-42.717261.40000110.5D135D135-T137 WeakPolarHBondContact OD1-CB 3.35Å; D135-T137 PolarHBondContact OD1-N 3.31Å; D135-T137 PolarHBondContact OD1-OG1 2.81Å; D135-T137 PolarHBondContact OD2-OG1 2.9Å
138T88.6Confident93.4Very high82 Ų8245.7 Ų45.750%0.50325%0.248SC..THydrogen-bonded Turntrans-97-13.1176.359.70000113.5D135 T140D135-T138 WeakPolarHBondContact OD2-CG2 3.43Å; D135-T138 PolarHBondContact OD2-OG1 3.43Å; T138-T140 VanDerWaalsContact C-N 3.26Å; T138-T140 PolarHBondContact O-N 2.92Å; T138-T140 PolarHBondContact OG1-OG1 2.87Å
139E89.8Confident93.2Very high58 Ų5848.4 Ų48.427%0.27127%0.274SS..THydrogen-bonded Turntrans5838-174.1-61.6-172.5160.800112.7S101 L103 D135 R429S101-E139 WeakPolarHBondContact CB-OE2 3.08Å; S101-E139 PolarHBondContact OG-OE1 2.79Å; S101-E139 PolarHBondContact OG-OE2 2.85Å; L103-E139 HydrophobicContact CD2-CB 3.89Å; L103-E139 VanDerWaalsContact CD2-O 3.26Å; L103-E139 WeakPolarHBondContact CD2-O 3.4Å; D135-E139 CarbonylContact O-C 3.49Å; D135-E139 WeakPolarHBondContact O-CA 3.28Å; D135-E139 PolarHBondContact O-N 3.25Å; E139-R429 IonicContact OE1-CZ 2.91Å; E139-R429 IonicContact OE1-NE 2.7Å; E139-R429 IonicContact OE1-NH2 2.59Å; E139-R429 PolarHBondContact OE1-NH2 3.15Å
140T89.9Confident93.2Very high65 Ų6549.2 Ų49.240%0.39927%0.274SS..EExtended strand (participates in β ladder)trans-117154.4-178.164.20000112.4W134 D135 T138 H142W134-T140 WeakPolarHBondContact CA-O 3.36Å; D135-T140 PolarHBondContact N-O 2.81Å; D135-T140 PolarHBondContact O-N 2.93Å; D135-T140 VanDerWaalsContact O-N 3.13Å; T138-T140 VanDerWaalsContact C-N 3.26Å; T138-T140 PolarHBondContact O-N 2.92Å; T138-T140 PolarHBondContact OG1-OG1 2.87Å; T140-H142 PolarHBondContact O-N 3.09Å
141P92.8Very high93.1Very high78 Ų7854 Ų5451%0.50629%0.291SS..EExtended strand (participates in β ladder)trans-64.7126.8170.527.2-33.8000110W134W134-P141 HydrophobicContact CE3-CB 4Å; W134-P141 HydrophobicContact CZ3-CB 3.89Å
142H92.9Very high93.1Very high74 Ų7454 Ų5434%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-93.7-60.6-179.5-170.735.5000111.3F133 D135 T140F133-H142 HydrophobicContact CB-CB 4.32Å; F133-H142 WeakPolarHBondContact O-CA 3.5Å; F133-H142 WeakPolarHBondContact O-CB 3.22Å; F133-H142 PolarHBondContact O-N 3.05Å; D135-H142 HydrophobicContact CB-CB 4.45Å; T140-H142 PolarHBondContact O-N 3.09Å
143H94.6Very high93.1Very high53 Ų5354 Ų5425%0.24529%0.294CS..EExtended strand (participates in β ladder)trans-137.7149.9-180-68.8-59.3000112.1R132 F133 V179R132-H143 WeakPolarHBondContact CA-O 3.18Å; F133-H143 HydrophobicContact CB-CB 4.24Å; F133-H143 HydrophobicContact CD2-CB 3.99Å; F133-H143 PolarHBondContact N-O 2.9Å; F133-H143 PolarHBondContact O-N 2.79Å; H143-V179 PolarHBondContact NE2-O 3.01Å; H143-V179 VanDerWaalsContact NE2-O 3.11Å
144T95.6Very high93Very high59 Ų5954.1 Ų54.136%0.36230%0.295SS..EExtended strand (participates in β ladder)trans-118.6104.2170.9-58.60000109.1T130 R132 R146T130-T144 HydrophobicContact CG2-CG2 4.12Å; R132-T144 HydrophobicContact CG-CG2 4.19Å; T144-R146 HydrophobicContact CG2-CG 4.38Å
145A94.5Very high93.1Very high2 Ų254.7 Ų54.72%0.01730%0.298CS..EExtended strand (participates in β ladder)trans-81.2121177.500000110.5V131 F133 W176V131-A145 HydrophobicContact CB-CB 4.02Å; V131-A145 PolarHBondContact N-O 2.56Å; V131-A145 VanDerWaalsContact N-O 3.07Å; V131-A145 WeakPolarHBondContact O-CB 3.34Å; V131-A145 PolarHBondContact O-N 3Å; F133-A145 HydrophobicContact CE2-CB 4.22Å; A145-W176 HydrophobicContact CB-CD2 3.66Å; A145-W176 HydrophobicContact CB-CE3 3.38Å; A145-W176 HydrophobicContact CB-CG 4.4Å; A145-W176 HydrophobicContact CB-CH2 3.94Å; A145-W176 HydrophobicContact CB-CZ2 4.16Å; A145-W176 HydrophobicContact CB-CZ3 3.52Å
146R93.8Very high93.2Very high194 Ų19454.1 Ų54.173%0.73230%0.296SS*.EExtended strand (participates in β ladder)trans-117.3130.6178.6-62.9-178.5-179-115.22.1109.3T130 T144T130-R146 HydrophobicContact CG2-CG 4.18Å; T144-R146 HydrophobicContact CG2-CG 4.38Å
147G89Confident93.5Very high41 Ų4154.6 Ų54.642%0.42330%0.298SS..  trans172.6-23.2179.300000113.4
148H94.3Very high93.7Very high9 Ų949.8 Ų49.84%0.04227%0.269CS..  trans-74.4139.9169.9-73.2-66.9000111.5T129 V152 S166 C168 C174T129-H148 WeakPolarHBondContact CB-O 3.44Å; T129-H148 PolarHBondContact OG1-O 3.31Å; H148-V152 HydrophobicContact CB-CG2 4.17Å; H148-S166 PolarHBondContact CE1-O 2.95Å; H148-S166 PolarHBondContact NE2-OG 2.98Å; H148-C168 HydrophobicContact CB-CB 4.38Å; H148-C168 WeakPolarHBondContact ND1-CB 3.26Å; H148-C168 PolarHBondContact ND1-SG 3.29Å; H148-C174 VanDerWaalsContact CE1-SG 3.56Å
149A91.4Very high93.8Very high78 Ų7846.1 Ų46.165%0.64525%0.246SC*.SBendtrans-92.5-4.4174.300000113.4
150H95.3Very high93.7Very high64 Ų6444.4 Ų44.430%0.29624%0.239SC..SBendtrans-146.9167.8178.7-150.1-57.4000110.4V152 K169 N170H150-V152 PolarHBondContact O-N 2.83Å; H150-K169 HydrophobicContact CB-CB 4.11Å; H150-K169 WeakPolarHBondContact CE1-CD 3.23Å; H150-K169 WeakPolarHBondContact ND1-CB 3.42Å; H150-K169 WeakPolarHBondContact ND1-CD 3.32Å; H150-N170 HydrophobicContact CB-CB 4.29Å
151W95.9Very high93.7Very high108 Ų10841.3 Ų41.341%0.40922%0.22SC..  trans-32.8126.4172.8-60.14.4000113.6E108 I111 G127 L153 C168 K169E108-W151 PolarHBondContact OE2-NE1 2.9Å; I111-W151 HydrophobicContact CD1-CB 4.15Å; I111-W151 HydrophobicContact CD1-CD2 4.46Å; I111-W151 HydrophobicContact CD1-CE3 4.11Å; G127-W151 PolarHBondContact O-NE1 3.08Å; W151-L153 HydrophobicContact CB-CD2 4.13Å; W151-C168 CarbonylContact O-C 3.5Å; W151-C168 WeakPolarHBondContact O-CA 3.5Å; W151-C168 VanDerWaalsContact O-CB 3.23Å; W151-C168 WeakPolarHBondContact O-CB 3.35Å; W151-K169 HydrophobicContact CB-CB 4.41Å; W151-K169 PolarHBondContact O-N 2.91Å
152V97.1Very high93.6Very high0 Ų042.5 Ų42.50%022%0.217CC..EExtended strand (participates in β ladder)trans-85.6112.2174.3-175.10000108.2S126 V131 H148 H150 I155S126-V152 PolarHBondContact O-N 3.44Å; V131-V152 HydrophobicContact CG2-CG1 3.96Å; V131-V152 HydrophobicContact CG2-CG2 4.05Å; H148-V152 HydrophobicContact CB-CG2 4.17Å; H150-V152 PolarHBondContact O-N 2.83Å; V152-I155 HydrophobicContact CG1-CG2 3.91Å
153L95.6Very high93.7Very high35 Ų3540.8 Ų40.818%0.18321%0.209CC..EExtended strand (participates in β ladder)trans-94.1-34.1-170.8-60.2179.6000112.6I111 W151 G167 K169 W194 I195I111-L153 HydrophobicContact CD1-CD2 3.9Å; I111-L153 HydrophobicContact CG2-CD2 4.24Å; W151-L153 HydrophobicContact CB-CD2 4.13Å; L153-G167 PolarHBondContact N-O 3.06Å; L153-K169 HydrophobicContact CD1-CB 4.04Å; L153-K169 HydrophobicContact CD1-CG 4.25Å; L153-K169 HydrophobicContact CG-CB 4.45Å; L153-W194 HydrophobicContact CD1-CB 3.85Å; L153-W194 HydrophobicContact CD1-CG 4.05Å; L153-I195 VanDerWaalsContact CD1-O 3.25Å; L153-I195 WeakPolarHBondContact CD1-O 3.35Å
154S94.9Very high93.7Very high5 Ų538.3 Ų38.34%0.03520%0.197CC..EExtended strand (participates in β ladder)trans-141.3144.7-178.3-177.20000110.2S166 G167 W197 L198S154-S166 CarbonylContact O-C 3.5Å; S154-S166 WeakPolarHBondContact O-CA 3.39Å; S154-G167 PolarHBondContact N-O 3.5Å; S154-G167 PolarHBondContact O-N 3.2Å; S154-W197 WeakPolarHBondContact OG-CA 3.39Å; S154-L198 PolarHBondContact OG-N 2.93Å; S154-L198 VanDerWaalsContact OG-N 3.1Å
155I97Very high93.8Very high14 Ų1435.5 Ų35.57%0.07218%0.18CC..EExtended strand (participates in β ladder)trans-131.7151171.561.5179.9000109.6A114 A123 V152 L164 A165A114-I155 HydrophobicContact CB-CD1 3.99Å; A114-I155 HydrophobicContact CB-CG1 3.95Å; A123-I155 VanDerWaalsContact C-CD1 3.46Å; A123-I155 HydrophobicContact CB-CD1 3.86Å; A123-I155 WeakPolarHBondContact O-CD1 3.35Å; V152-I155 HydrophobicContact CG1-CG2 3.91Å; I155-L164 HydrophobicContact CB-CD1 4.48Å; I155-A165 CarbonylContact C-O 3.52Å; I155-A165 VanDerWaalsContact CA-O 3.25Å; I155-A165 WeakPolarHBondContact CA-O 3.34Å
156A95.9Very high94Very high13 Ų1335.4 Ų35.411%0.10718%0.179CC..EExtended strand (participates in β ladder)trans-151.2126.8175.900000110.6A165 L198 W200A156-A165 PolarHBondContact N-O 2.96Å; A156-A165 PolarHBondContact O-N 3.23Å; A156-L198 HydrophobicContact CB-CB 3.8Å; A156-W200 PolarHBondContact O-NE1 2.93Å
157W95.6Very high94.1Very high13 Ų1326.1 Ų26.15%0.04914%0.144CC..EExtended strand (participates in β ladder)trans-75.7140.2171.8-7190.7000110.6A114 P117 A123 F133 L164 P178A114-W157 PolarHBondContact O-NE1 3.35Å; P117-W157 HydrophobicContact CG-CB 4.34Å; A123-W157 HydrophobicContact CB-CZ2 3.69Å; F133-W157 AromaticContact CD1-CH2 3.74Å; F133-W157 HydrophobicContact CD1-CH2 3.74Å; F133-W157 AromaticContact CD1-CZ2 3.87Å; F133-W157 HydrophobicContact CD1-CZ2 3.87Å; F133-W157 AromaticContact CE1-CH2 3.66Å; F133-W157 HydrophobicContact CE1-CH2 3.66Å; F133-W157 AromaticContact CE1-CZ2 3.88Å; F133-W157 HydrophobicContact CE1-CZ2 3.88Å; F133-W157 HydrophobicContact CE1-CZ3 4.4Å; W157-L164 HydrophobicContact CB-CD1 4.36Å; W157-L164 HydrophobicContact CD2-CD1 3.61Å; W157-L164 HydrophobicContact CE3-CD1 4.33Å; W157-L164 HydrophobicContact CG-CD1 3.6Å; W157-L164 HydrophobicContact CZ2-CD1 4.37Å; W157-P178 HydrophobicContact CE3-CB 4.48Å; W157-P178 HydrophobicContact CH2-CB 3.51Å; W157-P178 HydrophobicContact CH2-CG 4.38Å; W157-P178 HydrophobicContact CZ3-CB 3.32Å; W157-P178 HydrophobicContact CZ3-CG 3.7Å
158S94Very high94.4Very high0 Ų024.2 Ų24.20%012%0.124CC..  trans-65.8147166.457.40000109.8P117 D160 G161 K162 K163P117-S158 VanDerWaalsContact CG-O 3.31Å; P117-S158 WeakPolarHBondContact CG-O 3.41Å; S158-D160 WeakPolarHBondContact CB-OD1 3.36Å; S158-D160 PolarHBondContact O-N 3.13Å; S158-D160 PolarHBondContact OG-OD1 2.55Å; S158-G161 WeakPolarHBondContact O-CA 3.34Å; S158-G161 PolarHBondContact O-N 2.67Å; S158-K162 PolarHBondContact OG-N 2.87Å; S158-K163 PolarHBondContact N-O 3.12Å; S158-K163 WeakPolarHBondContact OG-CA 3.38Å; S158-K163 PolarHBondContact OG-N 3.21Å; S158-K163 PolarHBondContact OG-O 3.12Å
159P90.5Very high94.4Very high5 Ų527.2 Ų27.23%0.03214%0.137CC..THydrogen-bonded Turntrans-59.8-29.3-180-28.235.7000114.6G161 W200 L203 R289P159-G161 PolarHBondContact O-N 3.32Å; P159-W200 HydrophobicContact CG-CB 4.31Å; P159-L203 HydrophobicContact CB-CB 3.96Å; P159-L203 HydrophobicContact CB-CD1 4.4Å; P159-R289 WeakPolarHBondContact CA-O 3.35Å
160D87.6Confident94.5Very high23 Ų2325.9 Ų25.912%0.12312%0.119CC..THydrogen-bonded Turntrans-74.7-9.117369.4-3.2000113.5S158 K162 L203 P302 Q303S158-D160 WeakPolarHBondContact CB-OD1 3.36Å; S158-D160 PolarHBondContact O-N 3.13Å; S158-D160 PolarHBondContact OG-OD1 2.55Å; D160-K162 HydrophobicContact CB-CG 4.42Å; D160-K162 PolarHBondContact O-N 3.26Å; D160-K162 PolarHBondContact OD1-N 2.84Å; D160-L203 HydrophobicContact CB-CD1 4.45Å; D160-P302 CarbonylContact O-C 3.6Å; D160-P302 WeakPolarHBondContact O-CB 2.98Å; D160-Q303 PolarHBondContact O-N 2.85Å
161G89.9Confident94.4Very high0 Ų023.8 Ų23.80%011%0.112CC..SBendtrans68.95.1-176.800000115.3S158 P159 P178 Q303S158-G161 WeakPolarHBondContact O-CA 3.34Å; S158-G161 PolarHBondContact O-N 2.67Å; P159-G161 PolarHBondContact O-N 3.32Å; G161-P178 WeakPolarHBondContact O-CG 3.29Å; G161-Q303 VanDerWaalsContact C-NE2 3.3Å; G161-Q303 WeakPolarHBondContact O-CG 3.43Å; G161-Q303 PolarHBondContact O-NE2 3.1Å
162K90.6Very high94.3Very high103 Ų10321.2 Ų21.245%0.44811%0.105SC..SBendtrans-85.7-15.8-176.2-64.4-179.3179.9175.60113.7S158 D160 P178 Q303S158-K162 PolarHBondContact OG-N 2.87Å; D160-K162 HydrophobicContact CB-CG 4.42Å; D160-K162 PolarHBondContact O-N 3.26Å; D160-K162 PolarHBondContact OD1-N 2.84Å; K162-P178 WeakPolarHBondContact O-CD 3.48Å; K162-Q303 WeakPolarHBondContact CE-O 3.44Å; K162-Q303 HydrophobicContact CG-CB 4.21Å; K162-Q303 HydrophobicContact CG-CG 3.95Å
163K93.8Very high94.3Very high38 Ų3821.2 Ų21.217%0.16511%0.105CC..  trans-134146.9-178-55.9173.5-170.2162.70110.4S158 W176 I184 W200 C209S158-K163 PolarHBondContact N-O 3.12Å; S158-K163 WeakPolarHBondContact OG-CA 3.38Å; S158-K163 PolarHBondContact OG-N 3.21Å; S158-K163 PolarHBondContact OG-O 3.12Å; K163-W176 WeakPolarHBondContact CA-O 3.39Å; K163-I184 HydrophobicContact CG-CD1 4.01Å; K163-W200 HydrophobicContact CB-CH2 3.99Å; K163-W200 HydrophobicContact CB-CZ2 4Å; K163-W200 HydrophobicContact CD-CH2 3.81Å; K163-W200 HydrophobicContact CD-CZ3 4.4Å; K163-C209 PolarHBondContact NZ-O 2.83Å
164L96.4Very high94.3Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-119.3124.1164.8-177.682.6000109A123 V131 F133 I155 W157 L175 W176A123-L164 HydrophobicContact CB-CD1 3.87Å; A123-L164 HydrophobicContact CB-CD2 3.67Å; A123-L164 HydrophobicContact CB-CG 4.45Å; V131-L164 HydrophobicContact CG1-CD2 3.56Å; F133-L164 HydrophobicContact CE1-CB 4.04Å; F133-L164 HydrophobicContact CE1-CD2 3.54Å; F133-L164 HydrophobicContact CE1-CG 4.31Å; F133-L164 HydrophobicContact CE2-CD2 4.41Å; F133-L164 HydrophobicContact CZ-CB 3.99Å; F133-L164 HydrophobicContact CZ-CD2 3.44Å; F133-L164 VanDerWaalsContact CZ-CD2 3.44Å; F133-L164 HydrophobicContact CZ-CG 4.33Å; I155-L164 HydrophobicContact CB-CD1 4.48Å; W157-L164 HydrophobicContact CB-CD1 4.36Å; W157-L164 HydrophobicContact CD2-CD1 3.61Å; W157-L164 HydrophobicContact CE3-CD1 4.33Å; W157-L164 HydrophobicContact CG-CD1 3.6Å; W157-L164 HydrophobicContact CZ2-CD1 4.37Å; L164-L175 CarbonylContact O-C 3.56Å; L164-L175 WeakPolarHBondContact O-CA 3.14Å; L164-W176 HydrophobicContact CB-CB 4.34Å; L164-W176 PolarHBondContact N-O 3.18Å; L164-W176 PolarHBondContact O-N 2.81Å
165A97.2Very high94.4Very high0 Ų019.6 Ų19.60%010%0.095CC..EExtended strand (participates in β ladder)trans-90.6144.1169.700000110.5I155 A156 L175 L198 W200 L212I155-A165 CarbonylContact C-O 3.52Å; I155-A165 VanDerWaalsContact CA-O 3.25Å; I155-A165 WeakPolarHBondContact CA-O 3.34Å; A156-A165 PolarHBondContact N-O 2.96Å; A156-A165 PolarHBondContact O-N 3.23Å; A165-L175 HydrophobicContact CB-CD2 3.71Å; A165-L198 HydrophobicContact CB-CD1 3.93Å; A165-W200 HydrophobicContact CB-CZ2 3.75Å; A165-L212 HydrophobicContact CB-CD1 4.01Å; A165-L212 HydrophobicContact CB-CD2 3.63Å
166S97.5Very high94.4Very high0 Ų019.1 Ų19.10%09%0.093CC..EExtended strand (participates in β ladder)trans-141131177.859.40000110.3H148 S154 I173 C174 W176H148-S166 PolarHBondContact CE1-O 2.95Å; H148-S166 PolarHBondContact NE2-OG 2.98Å; S154-S166 CarbonylContact O-C 3.5Å; S154-S166 WeakPolarHBondContact O-CA 3.39Å; S166-I173 CarbonylContact O-C 3.58Å; S166-I173 WeakPolarHBondContact O-CA 3.36Å; S166-I173 WeakPolarHBondContact O-CG2 3.32Å; S166-C174 PolarHBondContact N-O 2.75Å; S166-C174 PolarHBondContact O-N 3.2Å; S166-C174 PolarHBondContact OG-O 2.82Å; S166-W176 PolarHBondContact OG-NE1 3.33Å
167G96.6Very high94.3Very high0 Ų020.4 Ų20.40%010%0.098CC..EExtended strand (participates in β ladder)trans-116.6136.1-177.100000109.9L153 S154 L198L153-G167 PolarHBondContact N-O 3.06Å; S154-G167 PolarHBondContact N-O 3.5Å; S154-G167 PolarHBondContact O-N 3.2Å; G167-L198 VanDerWaalsContact N-CD1 3.32Å
168C94.9Very high94.1Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-123.1175-173.870.50000113.1H148 W151 N170 S171 Q172 I195H148-C168 HydrophobicContact CB-CB 4.38Å; H148-C168 WeakPolarHBondContact ND1-CB 3.26Å; H148-C168 PolarHBondContact ND1-SG 3.29Å; W151-C168 CarbonylContact O-C 3.5Å; W151-C168 WeakPolarHBondContact O-CA 3.5Å; W151-C168 VanDerWaalsContact O-CB 3.23Å; W151-C168 WeakPolarHBondContact O-CB 3.35Å; C168-N170 PolarHBondContact O-N 3.1Å; C168-N170 VanDerWaalsContact SG-CG 3.55Å; C168-N170 PolarHBondContact SG-OD1 2.93Å; C168-S171 PolarHBondContact O-N 3.14Å; C168-Q172 PolarHBondContact N-O 2.91Å; C168-Q172 PolarHBondContact SG-O 3.32Å; C168-I195 PolarHBondContact O-N 3.45Å
169K94.4Very high94Very high72 Ų7224.9 Ų24.931%0.31313%0.126SC..THydrogen-bonded Turntrans-66.5-22.5-176.4-158.7-169.7-176.6-179.30113.9H150 W151 L153 S171 W194H150-K169 HydrophobicContact CB-CB 4.11Å; H150-K169 WeakPolarHBondContact CE1-CD 3.23Å; H150-K169 WeakPolarHBondContact ND1-CB 3.42Å; H150-K169 WeakPolarHBondContact ND1-CD 3.32Å; W151-K169 HydrophobicContact CB-CB 4.41Å; W151-K169 PolarHBondContact O-N 2.91Å; L153-K169 HydrophobicContact CD1-CB 4.04Å; L153-K169 HydrophobicContact CD1-CG 4.25Å; L153-K169 HydrophobicContact CG-CB 4.45Å; K169-S171 PolarHBondContact O-N 2.79Å; K169-W194 VanDerWaalsContact CA-CB 3.5Å; K169-W194 HydrophobicContact CB-CB 4.29Å; K169-W194 HydrophobicContact CG-CB 3.93Å; K169-W194 HydrophobicContact CG-CD2 4.32Å; K169-W194 HydrophobicContact CG-CE3 4.15Å; K169-W194 HydrophobicContact CG-CG 4.34Å; K169-W194 WeakPolarHBondContact O-CA 3.21Å; K169-W194 VanDerWaalsContact O-CB 3.22Å; K169-W194 WeakPolarHBondContact O-CB 3.48Å
170N93.3Very high94Very high50 Ų5027.9 Ų27.927%0.26715%0.145SC..THydrogen-bonded Turntrans-88.414.4-179.878.28.2000113.4H150 C168 Q172H150-N170 HydrophobicContact CB-CB 4.29Å; C168-N170 PolarHBondContact O-N 3.1Å; C168-N170 VanDerWaalsContact SG-CG 3.55Å; C168-N170 PolarHBondContact SG-OD1 2.93Å; N170-Q172 VanDerWaalsContact C-N 3.25Å; N170-Q172 PolarHBondContact ND2-OE1 2.79Å; N170-Q172 PolarHBondContact O-N 3.21Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.4Å; N170-Q172 VanDerWaalsContact OD1-CD 3.28Å; N170-Q172 WeakPolarHBondContact OD1-CG 3.13Å; N170-Q172 PolarHBondContact OD1-N 3.22Å; N170-Q172 PolarHBondContact OD1-OE1 2.66Å
171S92.8Very high94.2Very high21 Ų2127.3 Ų27.315%0.14714%0.144CC..SBendtrans71.15.4-177.686.60000116.7C168 K169 H191 K193C168-S171 PolarHBondContact O-N 3.14Å; K169-S171 PolarHBondContact O-N 2.79Å; S171-H191 WeakPolarHBondContact CB-O 3.44Å; S171-H191 PolarHBondContact OG-O 2.95Å; S171-K193 WeakPolarHBondContact CB-O 3.26Å
172Q94.3Very high94.4Very high54 Ų5431.1 Ų31.125%0.25217%0.168SC..  trans-79.3143.1173-68.7169.9-10.200111.8C168 N170 T187 T189C168-Q172 PolarHBondContact N-O 2.91Å; C168-Q172 PolarHBondContact SG-O 3.32Å; N170-Q172 VanDerWaalsContact C-N 3.25Å; N170-Q172 PolarHBondContact ND2-OE1 2.79Å; N170-Q172 PolarHBondContact O-N 3.21Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.4Å; N170-Q172 VanDerWaalsContact OD1-CD 3.28Å; N170-Q172 WeakPolarHBondContact OD1-CG 3.13Å; N170-Q172 PolarHBondContact OD1-N 3.22Å; N170-Q172 PolarHBondContact OD1-OE1 2.66Å; Q172-T187 HydrophobicContact CB-CG2 3.45Å; Q172-T187 VanDerWaalsContact CB-CG2 3.45Å; Q172-T187 HydrophobicContact CG-CG2 3.62Å; Q172-T189 HydrophobicContact CG-CG2 4.08Å
173I96.6Very high94.6Very high0 Ų029.4 Ų29.40%016%0.161CC..EExtended strand (participates in β ladder)trans-119.8124.7167.6-55.3162.8000108.1S166 L188 I195 L198 L212 W224S166-I173 CarbonylContact O-C 3.58Å; S166-I173 WeakPolarHBondContact O-CA 3.36Å; S166-I173 WeakPolarHBondContact O-CG2 3.32Å; I173-L188 HydrophobicContact CB-CB 4.12Å; I173-L188 HydrophobicContact CB-CD1 4.32Å; I173-L188 HydrophobicContact CG2-CD1 4.17Å; I173-L188 PolarHBondContact N-O 2.9Å; I173-L188 PolarHBondContact O-N 2.87Å; I173-I195 HydrophobicContact CD1-CD1 4.04Å; I173-I195 HydrophobicContact CD1-CG1 4.36Å; I173-I195 HydrophobicContact CG1-CD1 4.01Å; I173-I195 HydrophobicContact CG1-CG1 3.84Å; I173-L198 HydrophobicContact CD1-CD2 3.98Å; I173-L198 HydrophobicContact CG1-CD2 4.3Å; I173-L198 HydrophobicContact CG2-CD1 4.31Å; I173-L198 HydrophobicContact CG2-CD2 4.32Å; I173-L212 HydrophobicContact CG2-CD2 4.04Å; I173-W224 HydrophobicContact CD1-CZ2 4.21Å
174C96.3Very high94.6Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-110.1141.6175.1-65.10000110H148 S166 W176H148-C174 VanDerWaalsContact CE1-SG 3.56Å; S166-C174 PolarHBondContact N-O 2.75Å; S166-C174 PolarHBondContact O-N 3.2Å; S166-C174 PolarHBondContact OG-O 2.82Å; C174-W176 HydrophobicContact CB-CZ2 3.77Å
175L96.8Very high94.2Very high5 Ų533.4 Ų33.43%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-101.3140.2171-58.4178.6000108.7L164 A165 Q183 I184 W200 L212 T226L164-L175 CarbonylContact O-C 3.56Å; L164-L175 WeakPolarHBondContact O-CA 3.14Å; A165-L175 HydrophobicContact CB-CD2 3.71Å; L175-Q183 CarbonylContact O-C 3.16Å; L175-Q183 WeakPolarHBondContact O-CA 3.23Å; L175-Q183 WeakPolarHBondContact O-CG 3.48Å; L175-I184 HydrophobicContact CB-CB 4.09Å; L175-I184 PolarHBondContact O-N 3.11Å; L175-W200 HydrophobicContact CD2-CH2 3.99Å; L175-W200 HydrophobicContact CD2-CZ2 3.99Å; L175-L212 HydrophobicContact CD2-CD2 4.37Å; L175-T226 HydrophobicContact CD1-CG2 3.8Å; L175-T226 HydrophobicContact CD2-CG2 4.34Å
176W96.7Very high93.9Very high4 Ų442.3 Ų42.32%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-127144.2-178.2-52.495.5000110.4F133 A145 K163 L164 S166 C174 T182 Q183F133-W176 HydrophobicContact CE2-CB 4.34Å; F133-W176 HydrophobicContact CZ-CB 3.99Å; A145-W176 HydrophobicContact CB-CD2 3.66Å; A145-W176 HydrophobicContact CB-CE3 3.38Å; A145-W176 HydrophobicContact CB-CG 4.4Å; A145-W176 HydrophobicContact CB-CH2 3.94Å; A145-W176 HydrophobicContact CB-CZ2 4.16Å; A145-W176 HydrophobicContact CB-CZ3 3.52Å; K163-W176 WeakPolarHBondContact CA-O 3.39Å; L164-W176 HydrophobicContact CB-CB 4.34Å; L164-W176 PolarHBondContact N-O 3.18Å; L164-W176 PolarHBondContact O-N 2.81Å; S166-W176 PolarHBondContact OG-NE1 3.33Å; C174-W176 HydrophobicContact CB-CZ2 3.77Å; W176-T182 WeakPolarHBondContact CA-O 3.29Å; W176-Q183 HydrophobicContact CE3-CB 3.97Å; W176-Q183 HydrophobicContact CH2-CB 4.35Å; W176-Q183 HydrophobicContact CZ3-CB 3.73Å; W176-Q183 HydrophobicContact CZ3-CG 4.48Å
177D94.7Very high93.6Very high41 Ų4144.3 Ų44.322%0.21925%0.25CC..  trans-84.1117.4165175.8-2.6000108V179 T180 G181 T182 I184D177-V179 VanDerWaalsContact C-N 3.26Å; D177-V179 PolarHBondContact O-N 3.44Å; D177-V179 WeakPolarHBondContact OD1-CB 3.22Å; D177-V179 PolarHBondContact OD1-N 2.59Å; D177-T180 WeakPolarHBondContact CB-OG1 3.28Å; D177-T180 VanDerWaalsContact OD2-CG2 3.29Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.1Å; D177-T180 PolarHBondContact OD2-OG1 2.97Å; D177-G181 WeakPolarHBondContact O-CA 3.5Å; D177-G181 PolarHBondContact O-N 2.9Å; D177-T182 PolarHBondContact N-O 3.18Å; D177-I184 HydrophobicContact CB-CD1 3.89Å; D177-I184 HydrophobicContact CB-CG1 3.9Å
178P92.1Very high93.5Very high8 Ų844.5 Ų44.55%0.05225%0.25CS..THydrogen-bonded Turntrans-69.7-21.3-178.329.2-34.4000113.9F133 W157 G161 K162F133-P178 HydrophobicContact CD1-CB 4.2Å; F133-P178 HydrophobicContact CE1-CB 3.74Å; F133-P178 HydrophobicContact CZ-CB 4.31Å; W157-P178 HydrophobicContact CE3-CB 4.48Å; W157-P178 HydrophobicContact CH2-CB 3.51Å; W157-P178 HydrophobicContact CH2-CG 4.38Å; W157-P178 HydrophobicContact CZ3-CB 3.32Å; W157-P178 HydrophobicContact CZ3-CG 3.7Å; G161-P178 WeakPolarHBondContact O-CG 3.29Å; K162-P178 WeakPolarHBondContact O-CD 3.48Å
179V90.1Very high93.4Very high98 Ų9848.6 Ų48.659%0.59428%0.276SS*.THydrogen-bonded Turntrans-83.1-38.5-178.9-178.40000111.1H143 D177H143-V179 PolarHBondContact NE2-O 3.01Å; H143-V179 VanDerWaalsContact NE2-O 3.11Å; D177-V179 VanDerWaalsContact C-N 3.26Å; D177-V179 PolarHBondContact O-N 3.44Å; D177-V179 WeakPolarHBondContact OD1-CB 3.22Å; D177-V179 PolarHBondContact OD1-N 2.59Å
180T91.2Very high93.2Very high68 Ų6846.6 Ų46.642%0.41728%0.275SS..THydrogen-bonded Turntrans-99.2-18-179.462.60000113.2D177 T182D177-T180 WeakPolarHBondContact CB-OG1 3.28Å; D177-T180 VanDerWaalsContact OD2-CG2 3.29Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.1Å; D177-T180 PolarHBondContact OD2-OG1 2.97Å; T180-T182 PolarHBondContact O-N 3.32Å; T180-T182 PolarHBondContact OG1-N 3.16Å; T180-T182 PolarHBondContact OG1-OG1 3.35Å
181G91.1Very high93.3Very high11 Ų1144.5 Ų44.511%0.11326%0.264CS..  trans7010.1-172.300000114.1D177D177-G181 WeakPolarHBondContact O-CA 3.5Å; D177-G181 PolarHBondContact O-N 2.9Å
182T94.1Very high93.3Very high80 Ų8048.7 Ų48.749%0.49129%0.289SS..PPolyproline II helixtrans-92.2155.4-176.465.80000112.1W176 D177 T180W176-T182 WeakPolarHBondContact CA-O 3.29Å; D177-T182 PolarHBondContact N-O 3.18Å; T180-T182 PolarHBondContact O-N 3.32Å; T180-T182 PolarHBondContact OG1-N 3.16Å; T180-T182 PolarHBondContact OG1-OG1 3.35Å
183Q94.9Very high93.3Very high68 Ų6851.2 Ų51.232%0.31830%0.299SS..EExtended strand (participates in β ladder)trans-74.5129.2176.8-175.8176.5-29.300110.5L175 W176 G185 T187L175-Q183 CarbonylContact O-C 3.16Å; L175-Q183 WeakPolarHBondContact O-CA 3.23Å; L175-Q183 WeakPolarHBondContact O-CG 3.48Å; W176-Q183 HydrophobicContact CE3-CB 3.97Å; W176-Q183 HydrophobicContact CH2-CB 4.35Å; W176-Q183 HydrophobicContact CZ3-CB 3.73Å; W176-Q183 HydrophobicContact CZ3-CG 4.48Å; Q183-G185 PolarHBondContact NE2-O 3.03Å; Q183-T187 PolarHBondContact NE2-OG1 3.36Å; Q183-T187 VanDerWaalsContact NE2-OG1 3.08Å
184I93.8Very high93.2Very high60 Ų6055.4 Ų55.431%0.30832%0.315SS..EExtended strand (participates in β ladder)trans-89.6119.4174.6-57.3171.3000109.1K163 L175 D177K163-I184 HydrophobicContact CG-CD1 4.01Å; L175-I184 HydrophobicContact CB-CB 4.09Å; L175-I184 PolarHBondContact O-N 3.11Å; D177-I184 HydrophobicContact CB-CD1 3.89Å; D177-I184 HydrophobicContact CB-CG1 3.9Å
185G89Confident93.2Very high62 Ų6255.4 Ų55.464%0.63932%0.315SS*.EExtended strand (participates in β ladder)trans64-161.4172.100000114.1Q183Q183-G185 PolarHBondContact NE2-O 3.03Å
186K90.1Very high93.1Very high187 Ų18756.3 Ų56.381%0.81332%0.32SS*.EExtended strand (participates in β ladder)trans-84.2148.6-179.3-65.7-177.6-178.8178.20110.9L188K186-L188 PolarHBondContact O-N 3.35Å
187T92.8Very high93.1Very high42 Ų4258.1 Ų58.126%0.25833%0.327SS..EExtended strand (participates in β ladder)trans-60.3130.9171.4-55.60000110.5Q172 Q183 T189Q172-T187 HydrophobicContact CB-CG2 3.45Å; Q172-T187 VanDerWaalsContact CB-CG2 3.45Å; Q172-T187 HydrophobicContact CG-CG2 3.62Å; Q183-T187 PolarHBondContact NE2-OG1 3.36Å; Q183-T187 VanDerWaalsContact NE2-OG1 3.08Å; T187-T189 HydrophobicContact CG2-CG2 4.29Å; T187-T189 PolarHBondContact O-N 3.04Å
188L93.9Very high93.1Very high3 Ų356.3 Ų56.32%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-80.3121.1176.8-47.1171.9000108.7I173 K186 W224 G229I173-L188 HydrophobicContact CB-CB 4.12Å; I173-L188 HydrophobicContact CB-CD1 4.32Å; I173-L188 HydrophobicContact CG2-CD1 4.17Å; I173-L188 PolarHBondContact N-O 2.9Å; I173-L188 PolarHBondContact O-N 2.87Å; K186-L188 PolarHBondContact O-N 3.35Å; L188-W224 HydrophobicContact CB-CD2 4.24Å; L188-W224 HydrophobicContact CB-CE3 3.76Å; L188-W224 HydrophobicContact CB-CH2 4.42Å; L188-W224 HydrophobicContact CB-CZ3 3.86Å; L188-W224 HydrophobicContact CD1-CB 4.01Å; L188-W224 HydrophobicContact CD1-CD2 4.17Å; L188-W224 HydrophobicContact CD1-CE3 4.24Å; L188-W224 HydrophobicContact CD1-CG 4.07Å; L188-W224 HydrophobicContact CD2-CE3 4.35Å; L188-W224 HydrophobicContact CG-CE3 4.35Å; L188-G229 VanDerWaalsContact CD2-CA 3.46Å
189T92.8Very high93.3Very high87 Ų8756.8 Ų56.853%0.53432%0.321SS..  trans-125.6139.2-179.256.20000110.3Q172 T187Q172-T189 HydrophobicContact CG-CG2 4.08Å; T187-T189 HydrophobicContact CG2-CG2 4.29Å; T187-T189 PolarHBondContact O-N 3.04Å
190G90.6Very high93.5Very high29 Ų2952.7 Ų52.730%0.29930%0.295SS..  trans170.6-29.8171.700000114.1R222G190-R222 VanDerWaalsContact CA-NH1 3.3Å; G190-R222 PolarHBondContact O-NH1 2.99Å; G190-R222 PolarHBondContact O-NH2 2.9Å
191H94.7Very high93.6Very high6 Ų650.6 Ų50.63%0.02828%0.28CS..  trans-61.6144.8172.7-83.2-66.9000110.9S171 I195 S214 S216 D218 S220 W224S171-H191 WeakPolarHBondContact CB-O 3.44Å; S171-H191 PolarHBondContact OG-O 2.95Å; H191-I195 HydrophobicContact CB-CD1 3.9Å; H191-I195 WeakPolarHBondContact CD2-CD1 3.4Å; H191-S214 PolarHBondContact CD2-OG 3.11Å; H191-S214 PolarHBondContact NE2-OG 2.48Å; H191-S216 WeakPolarHBondContact CE1-CB 2.93Å; H191-S216 WeakPolarHBondContact ND1-CB 3.42Å; H191-D218 IonicContact CE1-OD1 2.67Å; H191-D218 IonicContact CE1-OD2 3.54Å; H191-D218 IonicContact CG-OD2 3.46Å; H191-D218 IonicContact ND1-OD1 3.92Å; H191-D218 PolarHBondContact ND1-OD1 2.92Å; H191-D218 IonicContact ND1-OD2 3.94Å; H191-D218 PolarHBondContact ND1-OD2 2.62Å; H191-S220 PolarHBondContact CE1-OG 2.87Å; H191-S220 VanDerWaalsContact CE1-OG 3.28Å; H191-S220 PolarHBondContact ND1-OG 3.42Å; H191-W224 AromaticContact CD2-CZ2 3.84Å
192T92.9Very high93.6Very high109 Ų10950.1 Ų50.167%0.66928%0.275SS*.SBendtrans-89.4-19.3-178.360.20000112.4D218T192-D218 PolarHBondContact N-OD2 2.95Å; T192-D218 VanDerWaalsContact N-OD2 3.12Å; T192-D218 WeakPolarHBondContact OG1-CB 3.4Å
193K95.1Very high93.4Very high107 Ų10746.7 Ų46.747%0.46525%0.254SS..SBendtrans-129.6176.1176.5-62.3-174.1-178.4172.60110.5S171 S216 K217 D218S171-K193 WeakPolarHBondContact CB-O 3.26Å; K193-S216 PolarHBondContact O-OG 3.46Å; K193-S216 VanDerWaalsContact O-OG 3.12Å; K193-K217 HydrophobicContact CB-CB 4.01Å; K193-K217 HydrophobicContact CD-CB 4.33Å; K193-K217 HydrophobicContact CD-CG 4Å; K193-D218 HydrophobicContact CB-CB 4.18Å; K193-D218 HydrophobicContact CG-CB 4.25Å
194W94.4Very high93.1Very high88 Ų8844 Ų4433%0.33324%0.241SC..  trans-58.6148.2-177.256.184.1000114.2L153 K169 S216 K217L153-W194 HydrophobicContact CD1-CB 3.85Å; L153-W194 HydrophobicContact CD1-CG 4.05Å; K169-W194 VanDerWaalsContact CA-CB 3.5Å; K169-W194 HydrophobicContact CB-CB 4.29Å; K169-W194 HydrophobicContact CG-CB 3.93Å; K169-W194 HydrophobicContact CG-CD2 4.32Å; K169-W194 HydrophobicContact CG-CE3 4.15Å; K169-W194 HydrophobicContact CG-CG 4.34Å; K169-W194 WeakPolarHBondContact O-CA 3.21Å; K169-W194 VanDerWaalsContact O-CB 3.22Å; K169-W194 WeakPolarHBondContact O-CB 3.48Å; W194-S216 WeakPolarHBondContact O-CA 3.48Å; W194-S216 PolarHBondContact O-OG 3.05Å; W194-S216 VanDerWaalsContact O-OG 3.11Å; W194-K217 HydrophobicContact CD2-CB 4.24Å; W194-K217 HydrophobicContact CD2-CD 3.86Å; W194-K217 HydrophobicContact CE3-CD 4.33Å; W194-K217 HydrophobicContact CG-CB 4.22Å; W194-K217 HydrophobicContact CH2-CD 3.64Å; W194-K217 HydrophobicContact CZ2-CD 3.06Å; W194-K217 HydrophobicContact CZ2-CG 4.44Å; W194-K217 HydrophobicContact CZ3-CD 4.22Å; W194-K217 PolarHBondContact O-N 2.98Å; W194-K217 VanDerWaalsContact O-N 3.08Å
195I96.6Very high92.8Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-73133.3174.3-50.6-54.9000109.1L153 C168 I173 H191 L198L153-I195 VanDerWaalsContact CD1-O 3.25Å; L153-I195 WeakPolarHBondContact CD1-O 3.35Å; C168-I195 PolarHBondContact O-N 3.45Å; I173-I195 HydrophobicContact CD1-CD1 4.04Å; I173-I195 HydrophobicContact CD1-CG1 4.36Å; I173-I195 HydrophobicContact CG1-CD1 4.01Å; I173-I195 HydrophobicContact CG1-CG1 3.84Å; H191-I195 HydrophobicContact CB-CD1 3.9Å; H191-I195 WeakPolarHBondContact CD2-CD1 3.4Å; I195-L198 HydrophobicContact CG2-CD2 3.94Å; I195-L198 HydrophobicContact CG2-CG 4.18Å
196T94.4Very high92.8Very high24 Ų2442 Ų4215%0.14722%0.216CC..EExtended strand (participates in β ladder)trans-102.7-37.2179.652.10000112.1S215 S216 K217 V242 T243T196-S215 PolarHBondContact N-O 2.89Å; T196-S215 WeakPolarHBondContact OG1-CB 3.48Å; T196-S215 PolarHBondContact OG1-O 3.33Å; T196-S215 VanDerWaalsContact OG1-O 3.12Å; T196-S215 PolarHBondContact OG1-OG 3.36Å; T196-S216 PolarHBondContact OG1-N 2.92Å; T196-K217 HydrophobicContact CG2-CB 4.37Å; T196-V242 WeakPolarHBondContact CB-O 3.23Å; T196-V242 WeakPolarHBondContact CG2-O 3.5Å; T196-V242 PolarHBondContact OG1-O 3.03Å; T196-T243 WeakPolarHBondContact CB-O 3.4Å
197W95.4Very high92.7Very high42 Ų4234.2 Ų34.216%0.15919%0.185CC..EExtended strand (participates in β ladder)trans-153.9155.5-178.6-153.8-89.5000111.9S154 S214 S215 C244 V245 T279 Q364S154-W197 WeakPolarHBondContact OG-CA 3.39Å; W197-S214 WeakPolarHBondContact O-CA 3.39Å; W197-S215 WeakPolarHBondContact CB-OG 3.38Å; W197-S215 PolarHBondContact N-OG 2.82Å; W197-S215 VanDerWaalsContact N-OG 3.14Å; W197-S215 PolarHBondContact O-N 2.92Å; W197-C244 HydrophobicContact CD2-CB 4.16Å; W197-C244 HydrophobicContact CE3-CB 4.28Å; W197-C244 HydrophobicContact CG-CB 4.26Å; W197-V245 HydrophobicContact CB-CG1 4.24Å; W197-T279 HydrophobicContact CH2-CG2 4.35Å; W197-T279 WeakPolarHBondContact CH2-OG1 3.3Å; W197-T279 WeakPolarHBondContact CZ3-OG1 2.99Å; W197-Q364 HydrophobicContact CH2-CG 4.31Å
198L96.2Very high92.4Very high4 Ų437 Ų372%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-129.9139.9176.5-67.2177.4000110.3S154 A156 A165 G167 I173 I195 L212 A213 S214S154-L198 PolarHBondContact OG-N 2.93Å; S154-L198 VanDerWaalsContact OG-N 3.1Å; A156-L198 HydrophobicContact CB-CB 3.8Å; A165-L198 HydrophobicContact CB-CD1 3.93Å; G167-L198 VanDerWaalsContact N-CD1 3.32Å; I173-L198 HydrophobicContact CD1-CD2 3.98Å; I173-L198 HydrophobicContact CG1-CD2 4.3Å; I173-L198 HydrophobicContact CG2-CD1 4.31Å; I173-L198 HydrophobicContact CG2-CD2 4.32Å; I195-L198 HydrophobicContact CG2-CD2 3.94Å; I195-L198 HydrophobicContact CG2-CG 4.18Å; L198-L212 HydrophobicContact CB-CD1 4.47Å; L198-L212 HydrophobicContact CD2-CD2 4.28Å; L198-A213 WeakPolarHBondContact CA-O 3.49Å; L198-S214 VanDerWaalsContact CD2-CB 3.47Å
199C94.8Very high92.2Very high18 Ų1836.9 Ų36.912%0.12219%0.194CC..EExtended strand (participates in β ladder)trans-148.8129.1176-171.30000110.2A213 V245 W247C199-A213 PolarHBondContact N-O 2.96Å; C199-A213 WeakPolarHBondContact O-CA 3.19Å; C199-A213 WeakPolarHBondContact O-CB 3.24Å; C199-A213 PolarHBondContact O-N 2.81Å; C199-V245 HydrophobicContact CB-CG1 4.43Å; C199-V245 WeakPolarHBondContact CB-O 3.46Å; C199-W247 PolarHBondContact SG-N 2.92Å
200W95.4Very high92.2Very high12 Ų1235.9 Ų35.95%0.04518%0.181CC..EExtended strand (participates in β ladder)trans-81.2154.2177.9-71.789.2000111.5A156 P159 K163 A165 L175 C209 L212 T226A156-W200 PolarHBondContact O-NE1 2.93Å; P159-W200 HydrophobicContact CG-CB 4.31Å; K163-W200 HydrophobicContact CB-CH2 3.99Å; K163-W200 HydrophobicContact CB-CZ2 4Å; K163-W200 HydrophobicContact CD-CH2 3.81Å; K163-W200 HydrophobicContact CD-CZ3 4.4Å; A165-W200 HydrophobicContact CB-CZ2 3.75Å; L175-W200 HydrophobicContact CD2-CH2 3.99Å; L175-W200 HydrophobicContact CD2-CZ2 3.99Å; W200-C209 WeakPolarHBondContact CZ3-O 3.39Å; W200-L212 HydrophobicContact CD2-CB 4.48Å; W200-L212 HydrophobicContact CD2-CD1 3.75Å; W200-L212 HydrophobicContact CE3-CB 4.21Å; W200-L212 HydrophobicContact CE3-CD1 4.33Å; W200-L212 HydrophobicContact CG-CD1 3.85Å; W200-L212 HydrophobicContact CZ2-CD1 4.42Å; W200-L212 HydrophobicContact CZ3-CB 4.35Å; W200-T226 HydrophobicContact CH2-CG2 3.75Å; W200-T226 HydrophobicContact CZ3-CG2 3.64Å
201E93.4Very high92.4Very high24 Ų2437.1 Ų37.111%0.11218%0.177CC..PPolyproline II helixtrans-64.3136167.8-172.8177.2-146.500110.6L205 N206 Y211 W247E201-L205 HydrophobicContact CG-CB 4.16Å; E201-L205 HydrophobicContact CG-CD1 4.49Å; E201-N206 VanDerWaalsContact CD-CB 3.47Å; E201-N206 HydrophobicContact CG-CB 4.18Å; E201-N206 WeakPolarHBondContact OE2-CB 3.37Å; E201-N206 PolarHBondContact OE2-ND2 2.86Å; E201-Y211 PolarHBondContact N-O 2.73Å; E201-Y211 VanDerWaalsContact N-O 3.09Å; E201-Y211 WeakPolarHBondContact OE2-CD2 3.42Å; E201-W247 HydrophobicContact CB-CD2 4.13Å; E201-W247 HydrophobicContact CB-CE3 3.93Å; E201-W247 HydrophobicContact CB-CH2 3.87Å; E201-W247 HydrophobicContact CB-CZ2 4.06Å; E201-W247 HydrophobicContact CB-CZ3 3.8Å; E201-W247 HydrophobicContact CG-CD2 4.29Å; E201-W247 HydrophobicContact CG-CH2 4.01Å; E201-W247 HydrophobicContact CG-CZ2 3.73Å; E201-W247 HydrophobicContact CG-CZ3 4.4Å
202P91.3Very high92.5Very high1 Ų136.8 Ų36.81%0.00618%0.175CC..PPolyproline II helixtrans-56.9142.2176.4-27.634000114.2H204 L205 N206 L288P202-H204 VanDerWaalsContact C-N 3.28Å; P202-H204 WeakPolarHBondContact CB-CE1 3.49Å; P202-H204 PolarHBondContact O-N 2.78Å; P202-L205 HydrophobicContact CB-CD1 4.36Å; P202-L205 HydrophobicContact CB-CG 4.5Å; P202-L205 HydrophobicContact CG-CD1 4.18Å; P202-L205 PolarHBondContact O-N 2.92Å; P202-N206 PolarHBondContact O-N 3.39Å; P202-N206 VanDerWaalsContact O-N 3.14Å; P202-L288 HydrophobicContact CB-CD2 3.84Å; P202-L288 HydrophobicContact CG-CD2 3.9Å
203L89.6Confident92.6Very high8 Ų831.6 Ų31.64%0.04214%0.143CC..THydrogen-bonded Turntrans-59.6-34.8-175.7-165.469.6000113.6P159 D160 L205 N206 P207 C209 A292 I312 A316P159-L203 HydrophobicContact CB-CB 3.96Å; P159-L203 HydrophobicContact CB-CD1 4.4Å; D160-L203 HydrophobicContact CB-CD1 4.45Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 2.77Å; L203-N206 CarbonylContact O-C 3.47Å; L203-N206 PolarHBondContact O-N 3.09Å; L203-P207 WeakPolarHBondContact O-CA 3.3Å; L203-P207 VanDerWaalsContact O-N 3.16Å; L203-C209 WeakPolarHBondContact CD1-SG 3.37Å; L203-A292 HydrophobicContact CD2-CB 4.13Å; L203-I312 HydrophobicContact CD2-CG2 3.61Å; L203-I312 HydrophobicContact CG-CG2 4.23Å; L203-A316 HydrophobicContact CB-CB 4.26Å; L203-A316 HydrophobicContact CD2-CB 4.27Å; L203-A316 HydrophobicContact CG-CB 4.48Å
204H87.8Confident92.7Very high11 Ų1126.5 Ų26.55%0.05112%0.121CC..THydrogen-bonded Turntrans-75.3-16.6-179.566.6-81.8000113.7P202 G249 K313 A316 L317P202-H204 VanDerWaalsContact C-N 3.28Å; P202-H204 WeakPolarHBondContact CB-CE1 3.49Å; P202-H204 PolarHBondContact O-N 2.78Å; H204-G249 VanDerWaalsContact CE1-CA 3.5Å; H204-G249 WeakPolarHBondContact CE1-CA 3.19Å; H204-G249 PolarHBondContact CE1-O 2.94Å; H204-G249 PolarHBondContact NE2-O 3.13Å; H204-K313 WeakPolarHBondContact O-CE 3.26Å; H204-K313 WeakPolarHBondContact O-CG 3.4Å; H204-A316 HydrophobicContact CB-CB 3.77Å; H204-L317 HydrophobicContact CB-CB 3.97Å
205L88.4Confident92.7Very high61 Ų6122.3 Ų22.332%0.31911%0.105SC..THydrogen-bonded Turntrans-84.7-42.8169.5-65.1174.5000109.7E201 P202 L203E201-L205 HydrophobicContact CG-CB 4.16Å; E201-L205 HydrophobicContact CG-CD1 4.49Å; P202-L205 HydrophobicContact CB-CD1 4.36Å; P202-L205 HydrophobicContact CB-CG 4.5Å; P202-L205 HydrophobicContact CG-CD1 4.18Å; P202-L205 PolarHBondContact O-N 2.92Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 2.77Å
206N89.1Confident92.6Very high18 Ų1822.3 Ų22.310%0.09611%0.105CC..  trans-142.7101.5-177.4-174-2.5000112.1E201 P202 L203 E208 C209 R210 Y211E201-N206 VanDerWaalsContact CD-CB 3.47Å; E201-N206 HydrophobicContact CG-CB 4.18Å; E201-N206 WeakPolarHBondContact OE2-CB 3.37Å; E201-N206 PolarHBondContact OE2-ND2 2.86Å; P202-N206 PolarHBondContact O-N 3.39Å; P202-N206 VanDerWaalsContact O-N 3.14Å; L203-N206 CarbonylContact O-C 3.47Å; L203-N206 PolarHBondContact O-N 3.09Å; N206-E208 PolarHBondContact O-N 2.93Å; N206-E208 WeakPolarHBondContact OD1-CB 3.1Å; N206-E208 PolarHBondContact OD1-N 3.13Å; N206-C209 PolarHBondContact O-N 3.44Å; N206-R210 WeakPolarHBondContact ND2-CB 3.21Å; N206-Y211 WeakPolarHBondContact ND2-CD2 2.94Å
207P86.5Confident92.6Very high24 Ų2424.5 Ų24.516%0.15611%0.113CC..THydrogen-bonded Turntrans-69.8-15.9-177.428.9-35.6000113.2L203 C209 L309 K313L203-P207 WeakPolarHBondContact O-CA 3.3Å; L203-P207 VanDerWaalsContact O-N 3.16Å; P207-C209 PolarHBondContact O-N 3.13Å; P207-L309 HydrophobicContact CB-CB 4.11Å; P207-L309 HydrophobicContact CB-CD2 4.15Å; P207-L309 WeakPolarHBondContact CB-O 3.47Å; P207-L309 HydrophobicContact CG-CB 3.94Å; P207-K313 HydrophobicContact CB-CB 4.25Å; P207-K313 HydrophobicContact CG-CB 4.24Å
208E87.3Confident92.4Very high101 Ų10124.4 Ų24.447%0.47212%0.115SC..THydrogen-bonded Turntrans-78.2-7.7177.5-59.8-172.6158.700113.4N206 R210 L309N206-E208 PolarHBondContact O-N 2.93Å; N206-E208 WeakPolarHBondContact OD1-CB 3.1Å; N206-E208 PolarHBondContact OD1-N 3.13Å; E208-R210 HydrophobicContact CB-CB 4.33Å; E208-R210 PolarHBondContact O-N 2.78Å; E208-L309 HydrophobicContact CG-CD1 4.1Å
209C89.9Confident92.1Very high0 Ų024.6 Ų24.60%012%0.119CC..  trans46.949.3-172.5-64.10000110.9K163 W200 L203 N206 P207K163-C209 PolarHBondContact NZ-O 2.83Å; W200-C209 WeakPolarHBondContact CZ3-O 3.39Å; L203-C209 WeakPolarHBondContact CD1-SG 3.37Å; N206-C209 PolarHBondContact O-N 3.44Å; P207-C209 PolarHBondContact O-N 3.13Å
210R92.5Very high91.9Very high67 Ų6724.1 Ų24.125%0.25312%0.115SC..  trans-85.1-37.8-173-178.9172176.2178.5-7.7112.4N206 E208 D225 T226 V227N206-R210 WeakPolarHBondContact ND2-CB 3.21Å; E208-R210 HydrophobicContact CB-CB 4.33Å; E208-R210 PolarHBondContact O-N 2.78Å; R210-D225 WeakPolarHBondContact CG-OD1 3.44Å; R210-D225 IonicContact CZ-OD1 3.91Å; R210-D225 IonicContact CZ-OD2 3.21Å; R210-D225 IonicContact NE-OD1 3.01Å; R210-D225 PolarHBondContact NE-OD1 2.98Å; R210-D225 IonicContact NE-OD2 2.93Å; R210-D225 PolarHBondContact NE-OD2 2.88Å; R210-D225 IonicContact NH2-OD1 3.95Å; R210-D225 IonicContact NH2-OD2 2.68Å; R210-D225 PolarHBondContact NH2-OD2 3.49Å; R210-T226 WeakPolarHBondContact O-CB 3.45Å; R210-T226 WeakPolarHBondContact O-CG2 3.29Å; R210-T226 PolarHBondContact O-N 2.91Å; R210-T226 PolarHBondContact O-OG1 3.07Å; R210-V227 HydrophobicContact CG-CG2 4.14Å
211Y95Very high91.9Very high54 Ų5423.7 Ų23.721%0.21211%0.114CC..EExtended strand (participates in β ladder)trans-97.3138.3-174.6-60.9-61.8000113.1E201 N206 I223 W224 D225 E232E201-Y211 PolarHBondContact N-O 2.73Å; E201-Y211 VanDerWaalsContact N-O 3.09Å; E201-Y211 WeakPolarHBondContact OE2-CD2 3.42Å; N206-Y211 WeakPolarHBondContact ND2-CD2 2.94Å; Y211-I223 HydrophobicContact CD1-CG2 4.21Å; Y211-I223 HydrophobicContact CG-CG2 4.33Å; Y211-W224 VanDerWaalsContact CA-O 3.25Å; Y211-W224 WeakPolarHBondContact CA-O 3.43Å; Y211-D225 HydrophobicContact CD1-CB 4.3Å; Y211-D225 HydrophobicContact CE1-CB 4.02Å; Y211-E232 WeakPolarHBondContact CE1-OE2 3.3Å; Y211-E232 PolarHBondContact OH-OE2 2.91Å
212L95.8Very high91.9Very high0 Ų023.5 Ų23.50%011%0.112CC..EExtended strand (participates in β ladder)trans-127.6127.7177174.371.8000109.1A165 I173 L175 L198 W200 I223 W224 T226A165-L212 HydrophobicContact CB-CD1 4.01Å; A165-L212 HydrophobicContact CB-CD2 3.63Å; I173-L212 HydrophobicContact CG2-CD2 4.04Å; L175-L212 HydrophobicContact CD2-CD2 4.37Å; L198-L212 HydrophobicContact CB-CD1 4.47Å; L198-L212 HydrophobicContact CD2-CD2 4.28Å; W200-L212 HydrophobicContact CD2-CB 4.48Å; W200-L212 HydrophobicContact CD2-CD1 3.75Å; W200-L212 HydrophobicContact CE3-CB 4.21Å; W200-L212 HydrophobicContact CE3-CD1 4.33Å; W200-L212 HydrophobicContact CG-CD1 3.85Å; W200-L212 HydrophobicContact CZ2-CD1 4.42Å; W200-L212 HydrophobicContact CZ3-CB 4.35Å; L212-I223 CarbonylContact O-C 3.55Å; L212-I223 WeakPolarHBondContact O-CA 3.43Å; L212-W224 HydrophobicContact CB-CB 4.41Å; L212-W224 PolarHBondContact N-O 3Å; L212-W224 VanDerWaalsContact O-CD1 3.3Å; L212-W224 PolarHBondContact O-N 2.67Å; L212-T226 HydrophobicContact CB-CG2 3.96Å
213A95.9Very high92.1Very high0 Ų024.2 Ų24.20%012%0.116CC..EExtended strand (participates in β ladder)trans-91.6134.7169.800000110.7L198 C199 R222 V245 W247 L253L198-A213 WeakPolarHBondContact CA-O 3.49Å; C199-A213 PolarHBondContact N-O 2.96Å; C199-A213 WeakPolarHBondContact O-CA 3.19Å; C199-A213 WeakPolarHBondContact O-CB 3.24Å; C199-A213 PolarHBondContact O-N 2.81Å; A213-R222 CarbonylContact C-O 3.56Å; A213-R222 VanDerWaalsContact CA-O 3.32Å; A213-R222 WeakPolarHBondContact CA-O 3.45Å; A213-V245 HydrophobicContact CB-CG2 4.33Å; A213-W247 HydrophobicContact CB-CE3 3.72Å; A213-W247 HydrophobicContact CB-CZ3 3.96Å; A213-L253 HydrophobicContact CB-CD2 3.96Å
214S96.5Very high92.4Very high0 Ų023.9 Ų23.90%011%0.114CC..EExtended strand (participates in β ladder)trans-125.2137.2170.968.40000111.5H191 W197 L198 V221 R222 W224H191-S214 PolarHBondContact CD2-OG 3.11Å; H191-S214 PolarHBondContact NE2-OG 2.48Å; W197-S214 WeakPolarHBondContact O-CA 3.39Å; L198-S214 VanDerWaalsContact CD2-CB 3.47Å; S214-V221 CarbonylContact O-C 3.55Å; S214-V221 VanDerWaalsContact O-CA 3.22Å; S214-V221 WeakPolarHBondContact O-CA 3.32Å; S214-V221 WeakPolarHBondContact O-CG1 3.28Å; S214-R222 PolarHBondContact N-O 2.83Å; S214-R222 PolarHBondContact O-N 2.95Å; S214-W224 PolarHBondContact OG-NE1 3.29Å
215S94.8Very high92.7Very high0 Ų023.6 Ų23.60%011%0.113CC..EExtended strand (participates in β ladder)trans-101.3151.5167.961.60000111.2T196 W197T196-S215 PolarHBondContact N-O 2.89Å; T196-S215 WeakPolarHBondContact OG1-CB 3.48Å; T196-S215 PolarHBondContact OG1-O 3.33Å; T196-S215 VanDerWaalsContact OG1-O 3.12Å; T196-S215 PolarHBondContact OG1-OG 3.36Å; W197-S215 WeakPolarHBondContact CB-OG 3.38Å; W197-S215 PolarHBondContact N-OG 2.82Å; W197-S215 VanDerWaalsContact N-OG 3.14Å; W197-S215 PolarHBondContact O-N 2.92Å
216S95.4Very high92.9Very high0 Ų021.5 Ų21.50%010%0.103CC..EExtended strand (participates in β ladder)trans-139159.3-178.9171.50000112.4H191 K193 W194 T196 D218 G219 S220 V242H191-S216 WeakPolarHBondContact CE1-CB 2.93Å; H191-S216 WeakPolarHBondContact ND1-CB 3.42Å; K193-S216 PolarHBondContact O-OG 3.46Å; K193-S216 VanDerWaalsContact O-OG 3.12Å; W194-S216 WeakPolarHBondContact O-CA 3.48Å; W194-S216 PolarHBondContact O-OG 3.05Å; W194-S216 VanDerWaalsContact O-OG 3.11Å; T196-S216 PolarHBondContact OG1-N 2.92Å; S216-D218 VanDerWaalsContact CB-OD1 3.29Å; S216-D218 WeakPolarHBondContact CB-OD1 2.88Å; S216-D218 PolarHBondContact O-N 3.06Å; S216-D218 PolarHBondContact OG-N 2.85Å; S216-D218 VanDerWaalsContact OG-N 3.16Å; S216-D218 PolarHBondContact OG-OD1 3.25Å; S216-D218 PolarHBondContact OG-OD2 2.71Å; S216-G219 PolarHBondContact O-N 3.11Å; S216-S220 PolarHBondContact N-O 3Å; S216-V242 PolarHBondContact O-N 2.9Å
217K93.6Very high93Very high69 Ų6925.3 Ų25.330%0.313%0.127SC..THydrogen-bonded Turntrans-64.3-13.4170.7-178.6165.8-175.5177.80113.7K193 W194 T196 G219 S241K193-K217 HydrophobicContact CB-CB 4.01Å; K193-K217 HydrophobicContact CD-CB 4.33Å; K193-K217 HydrophobicContact CD-CG 4Å; W194-K217 HydrophobicContact CD2-CB 4.24Å; W194-K217 HydrophobicContact CD2-CD 3.86Å; W194-K217 HydrophobicContact CE3-CD 4.33Å; W194-K217 HydrophobicContact CG-CB 4.22Å; W194-K217 HydrophobicContact CH2-CD 3.64Å; W194-K217 HydrophobicContact CZ2-CD 3.06Å; W194-K217 HydrophobicContact CZ2-CG 4.44Å; W194-K217 HydrophobicContact CZ3-CD 4.22Å; W194-K217 PolarHBondContact O-N 2.98Å; W194-K217 VanDerWaalsContact O-N 3.08Å; T196-K217 HydrophobicContact CG2-CB 4.37Å; K217-G219 PolarHBondContact O-N 3.27Å; K217-S241 VanDerWaalsContact CA-OG 3.3Å; K217-S241 WeakPolarHBondContact CA-OG 3.32Å
218D92.1Very high93.2Very high40 Ų4028.5 Ų28.521%0.21414%0.142CC..THydrogen-bonded Turntrans-70.5-4.1172.965.821.5000113.9H191 T192 K193 S216 S220H191-D218 IonicContact CE1-OD1 2.67Å; H191-D218 IonicContact CE1-OD2 3.54Å; H191-D218 IonicContact CG-OD2 3.46Å; H191-D218 IonicContact ND1-OD1 3.92Å; H191-D218 PolarHBondContact ND1-OD1 2.92Å; H191-D218 IonicContact ND1-OD2 3.94Å; H191-D218 PolarHBondContact ND1-OD2 2.62Å; T192-D218 PolarHBondContact N-OD2 2.95Å; T192-D218 VanDerWaalsContact N-OD2 3.12Å; T192-D218 WeakPolarHBondContact OG1-CB 3.4Å; K193-D218 HydrophobicContact CB-CB 4.18Å; K193-D218 HydrophobicContact CG-CB 4.25Å; S216-D218 VanDerWaalsContact CB-OD1 3.29Å; S216-D218 WeakPolarHBondContact CB-OD1 2.88Å; S216-D218 PolarHBondContact O-N 3.06Å; S216-D218 PolarHBondContact OG-N 2.85Å; S216-D218 VanDerWaalsContact OG-N 3.16Å; S216-D218 PolarHBondContact OG-OD1 3.25Å; S216-D218 PolarHBondContact OG-OD2 2.71Å; D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 VanDerWaalsContact CG-OG 3.29Å; D218-S220 WeakPolarHBondContact OD1-CA 3.49Å; D218-S220 WeakPolarHBondContact OD1-CB 3.49Å; D218-S220 PolarHBondContact OD1-N 3.41Å; D218-S220 PolarHBondContact OD1-OG 2.73Å; D218-S220 PolarHBondContact OD2-OG 2.87Å
219G88.4Confident93.2Very high9 Ų925.4 Ų25.49%0.09314%0.137CC..SBendtrans85.84178.600000113.4S216 K217 Q240S216-G219 PolarHBondContact O-N 3.11Å; K217-G219 PolarHBondContact O-N 3.27Å; G219-Q240 WeakPolarHBondContact CA-O 3.39Å
220S91.8Very high93.2Very high7 Ų733.2 Ų33.25%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-108.2151.8178.173.50000112.4H191 S216 D218 L235H191-S220 PolarHBondContact CE1-OG 2.87Å; H191-S220 VanDerWaalsContact CE1-OG 3.28Å; H191-S220 PolarHBondContact ND1-OG 3.42Å; S216-S220 PolarHBondContact N-O 3Å; D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 VanDerWaalsContact CG-OG 3.29Å; D218-S220 WeakPolarHBondContact OD1-CA 3.49Å; D218-S220 WeakPolarHBondContact OD1-CB 3.49Å; D218-S220 PolarHBondContact OD1-N 3.41Å; D218-S220 PolarHBondContact OD1-OG 2.73Å; D218-S220 PolarHBondContact OD2-OG 2.87Å; S220-L235 WeakPolarHBondContact CA-O 3.19Å
221V93.9Very high93.2Very high3 Ų335 Ų352%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-111.5137162.8174.60000108.2S214 L235 V242 V245 T255S214-V221 CarbonylContact O-C 3.55Å; S214-V221 VanDerWaalsContact O-CA 3.22Å; S214-V221 WeakPolarHBondContact O-CA 3.32Å; S214-V221 WeakPolarHBondContact O-CG1 3.28Å; V221-L235 HydrophobicContact CB-CB 4.18Å; V221-L235 HydrophobicContact CB-CD1 4.4Å; V221-L235 HydrophobicContact CG1-CD1 4.23Å; V221-L235 PolarHBondContact N-O 3.44Å; V221-L235 PolarHBondContact O-N 3.46Å; V221-V242 HydrophobicContact CG2-CG1 3.92Å; V221-V242 HydrophobicContact CG2-CG2 4.38Å; V221-V245 HydrophobicContact CG1-CG2 4Å; V221-T255 HydrophobicContact CG2-CG2 3.68Å
222R95Very high93Very high21 Ų2136.8 Ų36.88%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-122.3140.1179.2-66.6-177-171.5-158.210.3110.8G190 A213 S214 W224 K233 I234G190-R222 VanDerWaalsContact CA-NH1 3.3Å; G190-R222 PolarHBondContact O-NH1 2.99Å; G190-R222 PolarHBondContact O-NH2 2.9Å; A213-R222 CarbonylContact C-O 3.56Å; A213-R222 VanDerWaalsContact CA-O 3.32Å; A213-R222 WeakPolarHBondContact CA-O 3.45Å; S214-R222 PolarHBondContact N-O 2.83Å; S214-R222 PolarHBondContact O-N 2.95Å; R222-W224 HydrophobicContact CB-CZ2 4.12Å; R222-K233 WeakPolarHBondContact CA-O 3.37Å; R222-I234 HydrophobicContact CG-CG1 4.25Å; R222-I234 HydrophobicContact CG-CG2 4.23Å
223I95.6Very high92.8Very high15 Ų1541.8 Ų41.88%0.07721%0.206CC..EExtended strand (participates in β ladder)trans-102.5119172.8-56.7178.8000107.3Y211 L212 Y231 E232 K233 W247 L253Y211-I223 HydrophobicContact CD1-CG2 4.21Å; Y211-I223 HydrophobicContact CG-CG2 4.33Å; L212-I223 CarbonylContact O-C 3.55Å; L212-I223 WeakPolarHBondContact O-CA 3.43Å; I223-Y231 CarbonylContact O-C 3.55Å; I223-Y231 VanDerWaalsContact O-CA 3.27Å; I223-Y231 WeakPolarHBondContact O-CA 3.41Å; I223-E232 PolarHBondContact O-N 3.09Å; I223-K233 HydrophobicContact CB-CB 4.32Å; I223-K233 HydrophobicContact CD1-CB 4.29Å; I223-K233 HydrophobicContact CD1-CD 4.43Å; I223-K233 HydrophobicContact CG1-CB 4.47Å; I223-K233 PolarHBondContact N-O 3.09Å; I223-W247 HydrophobicContact CD1-CH2 4.18Å; I223-W247 HydrophobicContact CG2-CH2 3.87Å; I223-W247 HydrophobicContact CG2-CZ3 4.14Å; I223-L253 HydrophobicContact CD1-CD1 3.9Å; I223-L253 HydrophobicContact CG1-CD1 4.33Å
224W95.7Very high92.6Very high1 Ų145.3 Ų45.30%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-103135.8-176.6-57.288000110.8I173 L188 H191 Y211 L212 S214 R222 Y231I173-W224 HydrophobicContact CD1-CZ2 4.21Å; L188-W224 HydrophobicContact CB-CD2 4.24Å; L188-W224 HydrophobicContact CB-CE3 3.76Å; L188-W224 HydrophobicContact CB-CH2 4.42Å; L188-W224 HydrophobicContact CB-CZ3 3.86Å; L188-W224 HydrophobicContact CD1-CB 4.01Å; L188-W224 HydrophobicContact CD1-CD2 4.17Å; L188-W224 HydrophobicContact CD1-CE3 4.24Å; L188-W224 HydrophobicContact CD1-CG 4.07Å; L188-W224 HydrophobicContact CD2-CE3 4.35Å; L188-W224 HydrophobicContact CG-CE3 4.35Å; H191-W224 AromaticContact CD2-CZ2 3.84Å; Y211-W224 VanDerWaalsContact CA-O 3.25Å; Y211-W224 WeakPolarHBondContact CA-O 3.43Å; L212-W224 HydrophobicContact CB-CB 4.41Å; L212-W224 PolarHBondContact N-O 3Å; L212-W224 VanDerWaalsContact O-CD1 3.3Å; L212-W224 PolarHBondContact O-N 2.67Å; S214-W224 PolarHBondContact OG-NE1 3.29Å; R222-W224 HydrophobicContact CB-CZ2 4.12Å; W224-Y231 HydrophobicContact CE3-CD1 4.44Å; W224-Y231 AromaticContact CH2-CD1 3.9Å; W224-Y231 HydrophobicContact CH2-CD1 3.9Å; W224-Y231 AromaticContact CZ3-CD1 3.76Å; W224-Y231 HydrophobicContact CZ3-CD1 3.76Å; W224-Y231 HydrophobicContact CZ3-CG 4.35Å
225D94.6Very high92.3Very high5 Ų548.9 Ų48.93%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-85.5111162.1-174.9-24.2000108.6R210 Y211 V227 L228 G229 R230R210-D225 WeakPolarHBondContact CG-OD1 3.44Å; R210-D225 IonicContact CZ-OD1 3.91Å; R210-D225 IonicContact CZ-OD2 3.21Å; R210-D225 IonicContact NE-OD1 3.01Å; R210-D225 PolarHBondContact NE-OD1 2.98Å; R210-D225 IonicContact NE-OD2 2.93Å; R210-D225 PolarHBondContact NE-OD2 2.88Å; R210-D225 IonicContact NH2-OD1 3.95Å; R210-D225 IonicContact NH2-OD2 2.68Å; R210-D225 PolarHBondContact NH2-OD2 3.49Å; Y211-D225 HydrophobicContact CD1-CB 4.3Å; Y211-D225 HydrophobicContact CE1-CB 4.02Å; D225-V227 VanDerWaalsContact C-N 3.26Å; D225-V227 PolarHBondContact O-N 2.69Å; D225-V227 PolarHBondContact OD1-N 2.78Å; D225-L228 HydrophobicContact CB-CB 4.2Å; D225-L228 PolarHBondContact OD1-N 3.46Å; D225-L228 VanDerWaalsContact OD1-N 3.15Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.3Å; D225-L228 VanDerWaalsContact OD2-CG 3.28Å; D225-L228 WeakPolarHBondContact OD2-CG 3.4Å; D225-G229 WeakPolarHBondContact O-CA 3.48Å; D225-G229 PolarHBondContact O-N 3.27Å; D225-R230 PolarHBondContact N-O 2.72Å
226T92.3Very high91.8Very high17 Ų1754.4 Ų54.410%0.10428%0.276CS..THydrogen-bonded Turntrans-72-18.9-176.759.70000113.8L175 W200 R210 L212L175-T226 HydrophobicContact CD1-CG2 3.8Å; L175-T226 HydrophobicContact CD2-CG2 4.34Å; W200-T226 HydrophobicContact CH2-CG2 3.75Å; W200-T226 HydrophobicContact CZ3-CG2 3.64Å; R210-T226 WeakPolarHBondContact O-CB 3.45Å; R210-T226 WeakPolarHBondContact O-CG2 3.29Å; R210-T226 PolarHBondContact O-N 2.91Å; R210-T226 PolarHBondContact O-OG1 3.07Å; L212-T226 HydrophobicContact CB-CG2 3.96Å
227V90.3Very high91.1Very high99 Ų9956.6 Ų56.660%0.630%0.299SS*.THydrogen-bonded Turntrans-84.7-46.1177.9178.40000109.9R210 D225R210-V227 HydrophobicContact CG-CG2 4.14Å; D225-V227 VanDerWaalsContact C-N 3.26Å; D225-V227 PolarHBondContact O-N 2.69Å; D225-V227 PolarHBondContact OD1-N 2.78Å
228L90Very high90.5Very high90 Ų9054.5 Ų54.547%0.47129%0.29SS..THydrogen-bonded Turntrans-81.3-18.7-179.8-63.6-177000113.5D225 R230D225-L228 HydrophobicContact CB-CB 4.2Å; D225-L228 PolarHBondContact OD1-N 3.46Å; D225-L228 VanDerWaalsContact OD1-N 3.15Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.3Å; D225-L228 VanDerWaalsContact OD2-CG 3.28Å; D225-L228 WeakPolarHBondContact OD2-CG 3.4Å; L228-R230 HydrophobicContact CB-CG 4.05Å
229G88.1Confident90.1Very high36 Ų3658.5 Ų58.537%0.37132%0.316SS..THydrogen-bonded Turntrans72.225.3179.600000114.3L188 D225L188-G229 VanDerWaalsContact CD2-CA 3.46Å; D225-G229 WeakPolarHBondContact O-CA 3.48Å; D225-G229 PolarHBondContact O-N 3.27Å
230R90.8Very high90Very high164 Ų16462.3 Ų62.362%0.61933%0.332SS*.EExtended strand (participates in β ladder)trans-131.1153.8-179.367.3-177.6-177.8-177.30.6111.3D225 L228D225-R230 PolarHBondContact N-O 2.72Å; L228-R230 HydrophobicContact CB-CG 4.05Å
231Y91.6Very high89.9Confident104 Ų10462.4 Ų62.441%0.40833%0.333SS..EExtended strand (participates in β ladder)trans-80.4133.8170.561.5-93.4000110.2I223 W224 I234I223-Y231 CarbonylContact O-C 3.55Å; I223-Y231 VanDerWaalsContact O-CA 3.27Å; I223-Y231 WeakPolarHBondContact O-CA 3.41Å; W224-Y231 HydrophobicContact CE3-CD1 4.44Å; W224-Y231 AromaticContact CH2-CD1 3.9Å; W224-Y231 HydrophobicContact CH2-CD1 3.9Å; W224-Y231 AromaticContact CZ3-CD1 3.76Å; W224-Y231 HydrophobicContact CZ3-CD1 3.76Å; W224-Y231 HydrophobicContact CZ3-CG 4.35Å; Y231-I234 HydrophobicContact CD2-CD1 4.02Å; Y231-I234 HydrophobicContact CD2-CG1 3.68Å; Y231-I234 HydrophobicContact CE2-CD1 3.52Å; Y231-I234 HydrophobicContact CE2-CG1 3.72Å
232E90.9Very high89.7Confident93 Ų9362.3 Ų62.344%0.43533%0.332SS..EExtended strand (participates in β ladder)trans-90.3-40.6177.8-166.1-161.5140.100111.1Y211 I223Y211-E232 WeakPolarHBondContact CE1-OE2 3.3Å; Y211-E232 PolarHBondContact OH-OE2 2.91Å; I223-E232 PolarHBondContact O-N 3.09Å
233K91.2Very high89.5Confident104 Ų10462 Ų6245%0.45233%0.332SS..EExtended strand (participates in β ladder)trans-131.9144.8-177.2-54.4-168.8-160.2-55.70111.1R222 I223R222-K233 WeakPolarHBondContact CA-O 3.37Å; I223-K233 HydrophobicContact CB-CB 4.32Å; I223-K233 HydrophobicContact CD1-CB 4.29Å; I223-K233 HydrophobicContact CD1-CD 4.43Å; I223-K233 HydrophobicContact CG1-CB 4.47Å; I223-K233 PolarHBondContact N-O 3.09Å
234I92.4Very high89.2Confident75 Ų7561.3 Ų61.339%0.38533%0.329SS..EExtended strand (participates in β ladder)trans-118.4123.4169-50179.9000107.2R222 Y231 T236R222-I234 HydrophobicContact CG-CG1 4.25Å; R222-I234 HydrophobicContact CG-CG2 4.23Å; Y231-I234 HydrophobicContact CD2-CD1 4.02Å; Y231-I234 HydrophobicContact CD2-CG1 3.68Å; Y231-I234 HydrophobicContact CE2-CD1 3.52Å; Y231-I234 HydrophobicContact CE2-CG1 3.72Å; I234-T236 HydrophobicContact CG2-CG2 3.85Å
235L89.3Confident89Confident75 Ų7561.2 Ų61.239%0.39333%0.328SS..EExtended strand (participates in β ladder)trans-101.3115.4173.3-53.9174.7000107.5S220 V221 L253S220-L235 WeakPolarHBondContact CA-O 3.19Å; V221-L235 HydrophobicContact CB-CB 4.18Å; V221-L235 HydrophobicContact CB-CD1 4.4Å; V221-L235 HydrophobicContact CG1-CD1 4.23Å; V221-L235 PolarHBondContact N-O 3.44Å; V221-L235 PolarHBondContact O-N 3.46Å; L235-L253 HydrophobicContact CD1-CD1 3.52Å
236T85.5Confident88.8Confident115 Ų11562.5 Ų62.571%0.70633%0.334SS*.EExtended strand (participates in β ladder)trans-119.3151.6174.756.60000109.4I234I234-T236 HydrophobicContact CG2-CG2 3.85Å
237G79.1Confident88.7Confident46 Ų4662.5 Ų62.547%0.47433%0.332SS..  trans156.5-16.217800000114K263G237-K263 PolarHBondContact O-NZ 3.06Å
238H82.8Confident88.5Confident26 Ų2657.8 Ų57.812%0.1230%0.303CS..  trans-76141.8168.6-75.7-71.3000110.6V242 T255 S257 D259 T261 K263H238-V242 HydrophobicContact CB-CG2 4Å; H238-T255 PolarHBondContact NE2-OG1 2.98Å; H238-S257 WeakPolarHBondContact ND1-CB 3.35Å; H238-D259 WeakPolarHBondContact CB-OD2 3.09Å; H238-D259 IonicContact CG-OD2 3.37Å; H238-D259 IonicContact ND1-OD1 3.53Å; H238-D259 IonicContact ND1-OD2 3.63Å; H238-D259 PolarHBondContact ND1-OD2 2.84Å; H238-T261 PolarHBondContact CE1-OG1 2.91Å; H238-T261 VanDerWaalsContact CE1-OG1 3.25Å; H238-T261 PolarHBondContact ND1-OG1 2.88Å; H238-K263 VanDerWaalsContact CE1-CD 3.5Å; H238-K263 WeakPolarHBondContact CE1-CD 3.37Å
239T82.3Confident88.1Confident123 Ų12353.6 Ų53.676%0.75528%0.282SS*.SBendtrans-85.8-18.5178.556.80000111.9D259T239-D259 PolarHBondContact N-OD2 3.08Å; T239-D259 WeakPolarHBondContact OG1-CB 3.5Å
240Q86.1Confident87.7Confident89 Ų8954.8 Ų54.842%0.41628%0.279SS..SBendtrans-128.7-176.4178.1-60.5-171.54.900111.4G219 V242 S257 Q258 D259G219-Q240 WeakPolarHBondContact CA-O 3.39Å; Q240-V242 PolarHBondContact O-N 2.85Å; Q240-S257 PolarHBondContact O-OG 2.79Å; Q240-Q258 HydrophobicContact CB-CB 4.07Å; Q240-Q258 PolarHBondContact OE1-O 2.97Å; Q240-D259 HydrophobicContact CB-CB 4.07Å; Q240-D259 HydrophobicContact CG-CB 4.07Å
241S89.7Confident87.3Confident10 Ų1048.8 Ų48.87%0.0727%0.269CS..  trans-53.8125.7179-178.90000112.1K217 T243 S257 Q258K217-S241 VanDerWaalsContact CA-OG 3.3Å; K217-S241 WeakPolarHBondContact CA-OG 3.32Å; S241-T243 PolarHBondContact O-N 2.85Å; S241-S257 VanDerWaalsContact O-CA 3.28Å; S241-S257 WeakPolarHBondContact O-CA 3.2Å; S241-S257 PolarHBondContact O-OG 3.06Å; S241-S257 VanDerWaalsContact O-OG 3.11Å; S241-Q258 PolarHBondContact O-N 2.92Å
242V91.2Very high86.8Confident0 Ų046.2 Ų46.20%026%0.262CS..EExtended strand (participates in β ladder)trans-75.2123.2168.5-173.60000107.9T196 S216 V221 H238 Q240 T255 S256T196-V242 WeakPolarHBondContact CB-O 3.23Å; T196-V242 WeakPolarHBondContact CG2-O 3.5Å; T196-V242 PolarHBondContact OG1-O 3.03Å; S216-V242 PolarHBondContact O-N 2.9Å; V221-V242 HydrophobicContact CG2-CG1 3.92Å; V221-V242 HydrophobicContact CG2-CG2 4.38Å; H238-V242 HydrophobicContact CB-CG2 4Å; Q240-V242 PolarHBondContact O-N 2.85Å; V242-T255 HydrophobicContact CG1-CG2 4.48Å; V242-S256 CarbonylContact C-O 3.59Å; V242-S256 WeakPolarHBondContact CA-O 3.42Å; V242-S256 VanDerWaalsContact CG1-O 3.24Å; V242-S256 WeakPolarHBondContact CG1-O 3.21Å
243T89.5Confident86.6Confident15 Ų1542.9 Ų42.99%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-92.8-41.3-174.247.80000112.2T196 S241 S256 Q258 V277T196-T243 WeakPolarHBondContact CB-O 3.4Å; S241-T243 PolarHBondContact O-N 2.85Å; T243-S256 PolarHBondContact N-O 2.82Å; T243-S256 PolarHBondContact OG1-O 3.27Å; T243-S256 PolarHBondContact OG1-OG 3.38Å; T243-Q258 HydrophobicContact CG2-CG 3.64Å; T243-V277 VanDerWaalsContact CB-O 3.26Å; T243-V277 WeakPolarHBondContact CB-O 3.16Å; T243-V277 WeakPolarHBondContact CG2-O 3.42Å; T243-V277 PolarHBondContact OG1-O 3.07Å
244C89.9Confident86.3Confident0 Ų039.4 Ų39.40%023%0.231CC..EExtended strand (participates in β ladder)trans-143.2145.6178.6178.10000111.4W197 T255 S256W197-C244 HydrophobicContact CD2-CB 4.16Å; W197-C244 HydrophobicContact CE3-CB 4.28Å; W197-C244 HydrophobicContact CG-CB 4.26Å; C244-T255 CarbonylContact O-C 3.51Å; C244-T255 WeakPolarHBondContact O-CA 3.42Å; C244-S256 WeakPolarHBondContact CB-OG 3.29Å; C244-S256 PolarHBondContact N-OG 3.29Å; C244-S256 PolarHBondContact O-N 3.21Å; C244-S256 PolarHBondContact O-OG 3.43Å
245V91.9Very high85.9Confident0 Ų036.5 Ų36.50%022%0.217CC..EExtended strand (participates in β ladder)trans-126.3137.617160.50000110.2W197 C199 A213 V221 L253 Y254 T255W197-V245 HydrophobicContact CB-CG1 4.24Å; C199-V245 HydrophobicContact CB-CG1 4.43Å; C199-V245 WeakPolarHBondContact CB-O 3.46Å; A213-V245 HydrophobicContact CB-CG2 4.33Å; V221-V245 HydrophobicContact CG1-CG2 4Å; V245-L253 HydrophobicContact CG2-CD2 3.85Å; V245-Y254 CarbonylContact C-O 3.52Å; V245-Y254 WeakPolarHBondContact CA-O 3.43Å; V245-T255 HydrophobicContact CB-CG2 4.32Å; V245-T255 HydrophobicContact CG2-CG2 4Å
246K90.5Very high85.7Confident31 Ų3133 Ų3314%0.13520%0.198CC..EExtended strand (participates in β ladder)trans-131.9135.3174.8-68.7-69.6-176.1152.40110.2L253 Y254 L280 L282 D285K246-L253 CarbonylContact O-C 3.54Å; K246-L253 WeakPolarHBondContact O-CA 3.36Å; K246-Y254 PolarHBondContact N-O 3Å; K246-Y254 PolarHBondContact O-N 2.84Å; K246-L280 WeakPolarHBondContact CE-O 3.39Å; K246-L282 HydrophobicContact CB-CD1 3.87Å; K246-L282 HydrophobicContact CB-CG 4.34Å; K246-D285 WeakPolarHBondContact CE-OD2 3.02Å; K246-D285 IonicContact NZ-OD1 3.83Å; K246-D285 IonicContact NZ-OD2 3.93Å; K246-D285 PolarHBondContact NZ-OD2 3.2Å
247W90.3Very high85.7Confident18 Ų1827.5 Ų27.57%0.06817%0.165CC..EExtended strand (participates in β ladder)trans-100.9105.7176.9-154.4-34.9000108.7C199 E201 A213 I223 L253C199-W247 PolarHBondContact SG-N 2.92Å; E201-W247 HydrophobicContact CB-CD2 4.13Å; E201-W247 HydrophobicContact CB-CE3 3.93Å; E201-W247 HydrophobicContact CB-CH2 3.87Å; E201-W247 HydrophobicContact CB-CZ2 4.06Å; E201-W247 HydrophobicContact CB-CZ3 3.8Å; E201-W247 HydrophobicContact CG-CD2 4.29Å; E201-W247 HydrophobicContact CG-CH2 4.01Å; E201-W247 HydrophobicContact CG-CZ2 3.73Å; E201-W247 HydrophobicContact CG-CZ3 4.4Å; A213-W247 HydrophobicContact CB-CE3 3.72Å; A213-W247 HydrophobicContact CB-CZ3 3.96Å; I223-W247 HydrophobicContact CD1-CH2 4.18Å; I223-W247 HydrophobicContact CG2-CH2 3.87Å; I223-W247 HydrophobicContact CG2-CZ3 4.14Å; W247-L253 HydrophobicContact CB-CD2 3.78Å; W247-L253 HydrophobicContact CD2-CD2 3.7Å; W247-L253 HydrophobicContact CD2-CG 4.3Å; W247-L253 HydrophobicContact CE3-CD2 3.97Å; W247-L253 HydrophobicContact CG-CD2 3.64Å; W247-L253 HydrophobicContact CG-CG 4.31Å
248G84.9Confident85.8Confident0 Ų027.3 Ų27.30%015%0.152CC..  trans-73.7160.5178.800000112.6D250 G251 L252 E329G248-D250 PolarHBondContact O-N 3.45Å; G248-G251 PolarHBondContact O-N 2.82Å; G248-L252 PolarHBondContact N-O 2.93Å; G248-E329 WeakPolarHBondContact CA-OE1 3.3Å
249G82.8Confident85.3Confident2 Ų227.1 Ų27.12%0.02115%0.151CC..THydrogen-bonded Turntrans-70-19.3-175.700000114.1H204 G251 L288 E329H204-G249 VanDerWaalsContact CE1-CA 3.5Å; H204-G249 WeakPolarHBondContact CE1-CA 3.19Å; H204-G249 PolarHBondContact CE1-O 2.94Å; H204-G249 PolarHBondContact NE2-O 3.13Å; G249-G251 PolarHBondContact O-N 2.73Å; G249-L288 VanDerWaalsContact CA-CD2 3.48Å; G249-E329 PolarHBondContact N-OE1 3.47Å; G249-E329 VanDerWaalsContact N-OE1 3.13Å
250D79.4Confident84.6Confident60 Ų6028.6 Ų28.632%0.32114%0.143SC..THydrogen-bonded Turntrans-80.810.2176-66.7-11000113G248 L252 Y320 R324G248-D250 PolarHBondContact O-N 3.45Å; D250-L252 VanDerWaalsContact C-N 3.25Å; D250-L252 HydrophobicContact CB-CD1 4.47Å; D250-L252 HydrophobicContact CB-CG 4.16Å; D250-L252 PolarHBondContact O-N 2.92Å; D250-Y320 PolarHBondContact N-OH 3.49Å; D250-Y320 WeakPolarHBondContact OD1-CE1 3.3Å; D250-Y320 PolarHBondContact OD1-OH 3.36Å; D250-R324 IonicContact OD1-CZ 3.91Å; D250-R324 VanDerWaalsContact OD1-CZ 3.27Å; D250-R324 IonicContact OD1-NH1 2.79Å; D250-R324 PolarHBondContact OD1-NH1 2.74Å; D250-R324 IonicContact OD1-NH2 3.49Å; D250-R324 PolarHBondContact OD1-NH2 3.3Å; D250-R324 IonicContact OD2-CZ 3.27Å; D250-R324 IonicContact OD2-NH1 2.67Å; D250-R324 IonicContact OD2-NH2 3.31Å; D250-R324 PolarHBondContact OD2-NH2 3.34Å
251G80.9Confident83.6Confident38 Ų3825.2 Ų25.239%0.39213%0.128SC..SBendtrans78.610-175.400000113.6G248 G249G248-G251 PolarHBondContact O-N 2.82Å; G249-G251 PolarHBondContact O-N 2.73Å
252L82.6Confident82.2Confident50 Ų5025.1 Ų25.126%0.26213%0.127SC..  trans-90.1142.9-179.1-56.2-172.9000111.2G248 D250 Y254 V265G248-L252 PolarHBondContact N-O 2.93Å; D250-L252 VanDerWaalsContact C-N 3.25Å; D250-L252 HydrophobicContact CB-CD1 4.47Å; D250-L252 HydrophobicContact CB-CG 4.16Å; D250-L252 PolarHBondContact O-N 2.92Å; L252-Y254 HydrophobicContact CB-CE2 4.25Å; L252-V265 HydrophobicContact CD2-CB 3.77Å; L252-V265 HydrophobicContact CD2-CG2 3.92Å
253L85.3Confident81.1Confident23 Ų2328.1 Ų28.112%0.1214%0.141CC..EExtended strand (participates in β ladder)trans-102.8128.9170.7-75.6163.8000109.9A213 I223 L235 V245 K246 W247 G264A213-L253 HydrophobicContact CB-CD2 3.96Å; I223-L253 HydrophobicContact CD1-CD1 3.9Å; I223-L253 HydrophobicContact CG1-CD1 4.33Å; L235-L253 HydrophobicContact CD1-CD1 3.52Å; V245-L253 HydrophobicContact CG2-CD2 3.85Å; K246-L253 CarbonylContact O-C 3.54Å; K246-L253 WeakPolarHBondContact O-CA 3.36Å; W247-L253 HydrophobicContact CB-CD2 3.78Å; W247-L253 HydrophobicContact CD2-CD2 3.7Å; W247-L253 HydrophobicContact CD2-CG 4.3Å; W247-L253 HydrophobicContact CE3-CD2 3.97Å; W247-L253 HydrophobicContact CG-CD2 3.64Å; W247-L253 HydrophobicContact CG-CG 4.31Å; L253-G264 WeakPolarHBondContact O-CA 3.3Å
254Y84.9Confident79.5Confident32 Ų3228.2 Ų28.213%0.12515%0.145CC..EExtended strand (participates in β ladder)trans-106.5123.3173.3-57.7-85.3000109.3V245 K246 L252 K263 L282 E329V245-Y254 CarbonylContact C-O 3.52Å; V245-Y254 WeakPolarHBondContact CA-O 3.43Å; K246-Y254 PolarHBondContact N-O 3Å; K246-Y254 PolarHBondContact O-N 2.84Å; L252-Y254 HydrophobicContact CB-CE2 4.25Å; Y254-K263 CarbonylContact C-O 3.52Å; Y254-K263 WeakPolarHBondContact CA-O 3.49Å; Y254-L282 HydrophobicContact CD2-CD1 3.78Å; Y254-L282 HydrophobicContact CD2-CD2 4.1Å; Y254-L282 HydrophobicContact CE2-CD1 3.98Å; Y254-L282 HydrophobicContact CE2-CD2 4.19Å; Y254-L282 HydrophobicContact CG-CD2 4.43Å; Y254-E329 WeakPolarHBondContact CE2-OE2 3.28Å; Y254-E329 PolarHBondContact OH-OE2 3.11Å
255T85.5Confident77.2Confident14 Ų1433.4 Ų33.49%0.08618%0.176CC..EExtended strand (participates in β ladder)trans-121.1139.8-179.557.40000110V221 H238 V242 C244 V245 V262 K263V221-T255 HydrophobicContact CG2-CG2 3.68Å; H238-T255 PolarHBondContact NE2-OG1 2.98Å; V242-T255 HydrophobicContact CG1-CG2 4.48Å; C244-T255 CarbonylContact O-C 3.51Å; C244-T255 WeakPolarHBondContact O-CA 3.42Å; V245-T255 HydrophobicContact CB-CG2 4.32Å; V245-T255 HydrophobicContact CG2-CG2 4Å; T255-V262 CarbonylContact O-C 3.57Å; T255-V262 WeakPolarHBondContact O-CA 3.23Å; T255-V262 WeakPolarHBondContact O-CG1 3.3Å; T255-K263 PolarHBondContact N-O 3.09Å; T255-K263 PolarHBondContact O-N 2.74Å; T255-K263 PolarHBondContact OG1-O 3.05Å
256S84.9Confident74.8Confident0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-113.8150.2167.347.50000109.9V242 T243 C244V242-S256 CarbonylContact C-O 3.59Å; V242-S256 WeakPolarHBondContact CA-O 3.42Å; V242-S256 VanDerWaalsContact CG1-O 3.24Å; V242-S256 WeakPolarHBondContact CG1-O 3.21Å; T243-S256 PolarHBondContact N-O 2.82Å; T243-S256 PolarHBondContact OG1-O 3.27Å; T243-S256 PolarHBondContact OG1-OG 3.38Å; C244-S256 WeakPolarHBondContact CB-OG 3.29Å; C244-S256 PolarHBondContact N-OG 3.29Å; C244-S256 PolarHBondContact O-N 3.21Å; C244-S256 PolarHBondContact O-OG 3.43Å
257S84.8Confident72.9Confident0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-142159.6-178.21680000111.7H238 Q240 S241 D259 R260 T261H238-S257 WeakPolarHBondContact ND1-CB 3.35Å; Q240-S257 PolarHBondContact O-OG 2.79Å; S241-S257 VanDerWaalsContact O-CA 3.28Å; S241-S257 WeakPolarHBondContact O-CA 3.2Å; S241-S257 PolarHBondContact O-OG 3.06Å; S241-S257 VanDerWaalsContact O-OG 3.11Å; S257-D259 WeakPolarHBondContact CB-OD1 3.49Å; S257-D259 PolarHBondContact O-N 3.37Å; S257-D259 PolarHBondContact OG-N 2.79Å; S257-D259 PolarHBondContact OG-OD1 2.92Å; S257-D259 VanDerWaalsContact OG-OD1 3.13Å; S257-D259 PolarHBondContact OG-OD2 3.42Å; S257-R260 PolarHBondContact O-N 3.1Å; S257-T261 PolarHBondContact N-O 3.08Å; S257-T261 VanDerWaalsContact N-O 3.07Å
258Q81.5Confident71.3Confident43 Ų4347.6 Ų47.620%0.20125%0.253CS..THydrogen-bonded Turntrans-64.2-16.8173.7-66.3-175.3-23.400113Q240 S241 T243 R260 W276Q240-Q258 HydrophobicContact CB-CB 4.07Å; Q240-Q258 PolarHBondContact OE1-O 2.97Å; S241-Q258 PolarHBondContact O-N 2.92Å; T243-Q258 HydrophobicContact CG2-CG 3.64Å; Q258-R260 PolarHBondContact O-N 3.23Å; Q258-W276 HydrophobicContact CB-CG 4.21Å; Q258-W276 HydrophobicContact CG-CB 4.4Å; Q258-W276 HydrophobicContact CG-CD2 4.22Å; Q258-W276 HydrophobicContact CG-CG 4.04Å
259D72.6Confident70.1Confident22 Ų2250.8 Ų50.812%0.11827%0.273CS..THydrogen-bonded Turntrans-66.94.7171.862.121.2000113.6H238 T239 Q240 S257 T261H238-D259 WeakPolarHBondContact CB-OD2 3.09Å; H238-D259 IonicContact CG-OD2 3.37Å; H238-D259 IonicContact ND1-OD1 3.53Å; H238-D259 IonicContact ND1-OD2 3.63Å; H238-D259 PolarHBondContact ND1-OD2 2.84Å; T239-D259 PolarHBondContact N-OD2 3.08Å; T239-D259 WeakPolarHBondContact OG1-CB 3.5Å; Q240-D259 HydrophobicContact CB-CB 4.07Å; Q240-D259 HydrophobicContact CG-CB 4.07Å; S257-D259 WeakPolarHBondContact CB-OD1 3.49Å; S257-D259 PolarHBondContact O-N 3.37Å; S257-D259 PolarHBondContact OG-N 2.79Å; S257-D259 PolarHBondContact OG-OD1 2.92Å; S257-D259 VanDerWaalsContact OG-OD1 3.13Å; S257-D259 PolarHBondContact OG-OD2 3.42Å; D259-T261 PolarHBondContact O-N 2.85Å; D259-T261 WeakPolarHBondContact OD1-CA 3.42Å; D259-T261 VanDerWaalsContact OD1-CB 3.23Å; D259-T261 WeakPolarHBondContact OD1-CB 3.47Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.37Å; D259-T261 PolarHBondContact OD1-N 2.77Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å; D259-T261 PolarHBondContact OD2-OG1 3.1Å
260R66.3Low69.1Low153 Ų15351.9 Ų51.958%0.57728%0.278SS*.SBendtrans65.419.7-177.4-54.1173.1-68.3179.5-1112.9S257 Q258S257-R260 PolarHBondContact O-N 3.1Å; Q258-R260 PolarHBondContact O-N 3.23Å
261T65.3Low68.5Low18 Ų1856 Ų5611%0.1130%0.296CS..  trans-106.4136175.275.30000110.4H238 S257 D259 T269H238-T261 PolarHBondContact CE1-OG1 2.91Å; H238-T261 VanDerWaalsContact CE1-OG1 3.25Å; H238-T261 PolarHBondContact ND1-OG1 2.88Å; S257-T261 PolarHBondContact N-O 3.08Å; S257-T261 VanDerWaalsContact N-O 3.07Å; D259-T261 PolarHBondContact O-N 2.85Å; D259-T261 WeakPolarHBondContact OD1-CA 3.42Å; D259-T261 VanDerWaalsContact OD1-CB 3.23Å; D259-T261 WeakPolarHBondContact OD1-CB 3.47Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.37Å; D259-T261 PolarHBondContact OD1-N 2.77Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å; D259-T261 PolarHBondContact OD2-OG1 3.1Å; T261-T269 HydrophobicContact CG2-CG2 3.46Å; T261-T269 VanDerWaalsContact CG2-CG2 3.46Å
262V61.9Low67.6Low8 Ų856.4 Ų56.45%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-99134.2156.4178.80000106.5T255 L270 L280 L332T255-V262 CarbonylContact O-C 3.57Å; T255-V262 WeakPolarHBondContact O-CA 3.23Å; T255-V262 WeakPolarHBondContact O-CG1 3.3Å; V262-L270 HydrophobicContact CB-CB 3.98Å; V262-L270 HydrophobicContact CB-CD1 3.93Å; V262-L270 HydrophobicContact CB-CG 4.04Å; V262-L270 HydrophobicContact CG1-CD1 3.99Å; V262-L270 HydrophobicContact CG1-CG 4.48Å; V262-L270 HydrophobicContact CG2-CB 4.18Å; V262-L270 HydrophobicContact CG2-CD1 4.27Å; V262-L280 HydrophobicContact CG1-CD1 3.81Å; V262-L280 HydrophobicContact CG2-CD1 4.34Å; V262-L280 HydrophobicContact CG2-CD2 4.03Å; V262-L332 HydrophobicContact CG1-CD2 4.43Å
263K66.9Low67.1Low63 Ų6354.7 Ų54.727%0.27429%0.29SS..EExtended strand (participates in β ladder)trans-122.2127.4175.7-64-176.5-176.6-168.90109.7G237 H238 Y254 T255G237-K263 PolarHBondContact O-NZ 3.06Å; H238-K263 VanDerWaalsContact CE1-CD 3.5Å; H238-K263 WeakPolarHBondContact CE1-CD 3.37Å; Y254-K263 CarbonylContact C-O 3.52Å; Y254-K263 WeakPolarHBondContact CA-O 3.49Å; T255-K263 PolarHBondContact N-O 3.09Å; T255-K263 PolarHBondContact O-N 2.74Å; T255-K263 PolarHBondContact OG1-O 3.05Å
264G57Low66.1Low18 Ų1857.7 Ų57.719%0.18632%0.318CS..  trans-125.4176.3162.600000109.4L253 L266 C267L253-G264 WeakPolarHBondContact O-CA 3.3Å; G264-L266 PolarHBondContact O-N 3.16Å; G264-C267 PolarHBondContact O-N 3.27Å; G264-C267 VanDerWaalsContact O-N 3.09Å
265V40.1Very low65.7Low109 Ų10960 Ų6066%0.66133%0.33SS*.THydrogen-bonded Turntrans-72.177.3176.6-174.20000110.6L252L252-V265 HydrophobicContact CD2-CB 3.77Å; L252-V265 HydrophobicContact CD2-CG2 3.92Å
266L42.7Very low65.4Low119 Ų11964.3 Ų64.362%0.62334%0.344SS*.THydrogen-bonded Turntrans-162.318144.3-148.5117000109.8G264 R268G264-L266 PolarHBondContact O-N 3.16Å; L266-R268 HydrophobicContact CB-CG 4.11Å; L266-R268 HydrophobicContact CD2-CG 4.15Å; L266-R268 PolarHBondContact O-N 3.43Å
267C50.4Low65Low113 Ų11364.6 Ų64.676%0.76435%0.346SS*.  trans48.130.9-170.7-700000113.6G264 T269G264-C267 PolarHBondContact O-N 3.27Å; G264-C267 VanDerWaalsContact O-N 3.09Å; C267-T269 PolarHBondContact O-N 2.83Å
268R55.7Low64.9Low115 Ų11565.8 Ų65.843%0.43435%0.353SS..  trans-74.7121.3176.9-74.6176.9-165.7-126.63.1108.5L266 T348L266-R268 HydrophobicContact CB-CG 4.11Å; L266-R268 HydrophobicContact CD2-CG 4.15Å; L266-R268 PolarHBondContact O-N 3.43Å; R268-T348 PolarHBondContact NH1-O 2.95Å
269T61Low65Low66 Ų6664 Ų6441%0.40534%0.344SS..  trans-94.2105.1176-57.80000108.2T261 C267 Q271T261-T269 HydrophobicContact CG2-CG2 3.46Å; T261-T269 VanDerWaalsContact CG2-CG2 3.46Å; C267-T269 PolarHBondContact O-N 2.83Å; T269-Q271 HydrophobicContact CG2-CG 3.58Å; T269-Q271 PolarHBondContact O-N 2.66Å
270L61.8Low65.6Low26 Ų2662.9 Ų62.914%0.13634%0.339CS..  trans-76.7103.7171.9-54.1178.6000108.7V262 L332 W344 G349V262-L270 HydrophobicContact CB-CB 3.98Å; V262-L270 HydrophobicContact CB-CD1 3.93Å; V262-L270 HydrophobicContact CB-CG 4.04Å; V262-L270 HydrophobicContact CG1-CD1 3.99Å; V262-L270 HydrophobicContact CG1-CG 4.48Å; V262-L270 HydrophobicContact CG2-CB 4.18Å; V262-L270 HydrophobicContact CG2-CD1 4.27Å; L270-L332 HydrophobicContact CD1-CD2 3.48Å; L270-L332 VanDerWaalsContact CD1-CD2 3.48Å; L270-W344 HydrophobicContact CB-CE3 4.44Å; L270-W344 HydrophobicContact CB-CZ3 4.35Å; L270-W344 HydrophobicContact CD1-CD2 4.39Å; L270-W344 HydrophobicContact CD1-CG 4.38Å; L270-W344 HydrophobicContact CD2-CE3 4.39Å; L270-G349 VanDerWaalsContact CD2-CA 3.4Å; L270-G349 VanDerWaalsContact CD2-O 3.3Å; L270-G349 WeakPolarHBondContact CD2-O 3.16Å
271Q65.7Low66.5Low147 Ų14755.7 Ų55.769%0.68731%0.312SS*.  trans-105.9131.9174.4-59-170.8-8.300109.4T269T269-Q271 HydrophobicContact CG2-CG 3.58Å; T269-Q271 PolarHBondContact O-N 2.66Å
272G62Low67.4Low46 Ų4655 Ų5547%0.47431%0.308SS..  trans170.1-15.4174.100000114.8K342G272-K342 VanDerWaalsContact O-CE 3.22Å; G272-K342 WeakPolarHBondContact O-CE 3.38Å
273H72Confident68.2Low14 Ų1454.9 Ų54.97%0.06531%0.307CS..  trans-75.8138.9167.3-80-69.8000111.4H275 V277 S334 S336 D338H273-H275 VanDerWaalsContact C-N 3.3Å; H273-H275 WeakPolarHBondContact CB-O 3.31Å; H273-V277 HydrophobicContact CB-CG2 4.04Å; H273-S334 PolarHBondContact CD2-OG 3.04Å; H273-S334 PolarHBondContact NE2-O 3.13Å; H273-S334 PolarHBondContact NE2-OG 3.36Å; H273-S336 VanDerWaalsContact CE1-CB 3.49Å; H273-S336 WeakPolarHBondContact CE1-CB 3.45Å; H273-S336 WeakPolarHBondContact ND1-CB 3.23Å; H273-D338 IonicContact CE1-OD2 2.85Å; H273-D338 IonicContact CG-OD2 3.63Å; H273-D338 IonicContact ND1-OD1 3.14Å; H273-D338 IonicContact ND1-OD2 3.68Å; H273-D338 PolarHBondContact ND1-OD2 3.12Å
274A64.9Low68.9Low85 Ų8552 Ų5270%0.70230%0.295SS*.SBendtrans-80-17177.600000112.2D338A274-D338 HydrophobicContact CB-CB 4.29Å; A274-D338 PolarHBondContact N-OD2 2.89Å
275H76.6Confident70Confident81 Ų8152.6 Ų52.638%0.37529%0.294SS..SBendtrans-134.1-178.1-179.8-150.4-80.8000111.4H273 S336 F337 D338H273-H275 VanDerWaalsContact C-N 3.3Å; H273-H275 WeakPolarHBondContact CB-O 3.31Å; H275-S336 PolarHBondContact O-OG 3.27Å; H275-F337 HydrophobicContact CB-CB 4.19Å; H275-F337 AromaticContact CE1-CD2 3.87Å; H275-F337 WeakPolarHBondContact ND1-CB 3.17Å; H275-F337 AromaticContact ND1-CD2 3.81Å; H275-D338 HydrophobicContact CB-CB 4.21Å
276W79.1Confident72.2Confident104 Ų10448 Ų4839%0.39427%0.265SS..  trans-52.3136.9174.6-57.4-25000113Q258 S336 F337Q258-W276 HydrophobicContact CB-CG 4.21Å; Q258-W276 HydrophobicContact CG-CB 4.4Å; Q258-W276 HydrophobicContact CG-CD2 4.22Å; Q258-W276 HydrophobicContact CG-CG 4.04Å; W276-S336 WeakPolarHBondContact O-CA 3.43Å; W276-S336 WeakPolarHBondContact O-CB 3.46Å; W276-S336 PolarHBondContact O-OG 3.21Å; W276-F337 HydrophobicContact CE3-CD2 4.16Å; W276-F337 HydrophobicContact CE3-CE2 4Å; W276-F337 HydrophobicContact CZ3-CE2 4.42Å; W276-F337 PolarHBondContact O-N 3.38Å
277V77.6Confident74.1Confident6 Ų642.4 Ų42.44%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-89.7124.7170.9-179.60000108.1T243 H273 L280T243-V277 VanDerWaalsContact CB-O 3.26Å; T243-V277 WeakPolarHBondContact CB-O 3.16Å; T243-V277 WeakPolarHBondContact CG2-O 3.42Å; T243-V277 PolarHBondContact OG1-O 3.07Å; H273-V277 HydrophobicContact CB-CG2 4.04Å; V277-L280 HydrophobicContact CG1-CD2 4.13Å
278N81.2Confident75.9Confident26 Ų2637.7 Ų37.714%0.13920%0.202CC..EExtended strand (participates in β ladder)trans-94.2-45.6-176-59.1-49.4000112.4A335 F337 V362 Y363N278-A335 PolarHBondContact N-O 2.89Å; N278-F337 VanDerWaalsContact CG-CE1 3.48Å; N278-F337 WeakPolarHBondContact ND2-CD1 3.47Å; N278-F337 WeakPolarHBondContact ND2-CE1 3.23Å; N278-F337 WeakPolarHBondContact OD1-CE1 3.21Å; N278-V362 PolarHBondContact ND2-O 3.3Å; N278-Y363 WeakPolarHBondContact CB-O 3.5Å
279T84Confident77.3Confident4 Ų434.5 Ų34.53%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-133.6143.3-175.1-82.30000110W197 S334 A335 Y363 Q364 V365W197-T279 HydrophobicContact CH2-CG2 4.35Å; W197-T279 WeakPolarHBondContact CH2-OG1 3.3Å; W197-T279 WeakPolarHBondContact CZ3-OG1 2.99Å; T279-S334 WeakPolarHBondContact O-CA 3.16Å; T279-A335 PolarHBondContact O-N 2.55Å; T279-Y363 PolarHBondContact OG1-O 3.19Å; T279-Q364 HydrophobicContact CG2-CG 4.25Å; T279-V365 HydrophobicContact CG2-CG2 3.67Å
280L86.3Confident78.5Confident0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-110.8143.4162-64.8177.9000109.1K246 V262 V277 L332 A333K246-L280 WeakPolarHBondContact CE-O 3.39Å; V262-L280 HydrophobicContact CG1-CD1 3.81Å; V262-L280 HydrophobicContact CG2-CD1 4.34Å; V262-L280 HydrophobicContact CG2-CD2 4.03Å; V277-L280 HydrophobicContact CG1-CD2 4.13Å; L280-L332 HydrophobicContact CB-CD1 4.21Å; L280-L332 HydrophobicContact CD2-CD1 4.25Å; L280-L332 HydrophobicContact CD2-CD2 4.25Å; L280-L332 HydrophobicContact CD2-CG 4.38Å; L280-A333 CarbonylContact C-O 3.52Å; L280-A333 WeakPolarHBondContact CA-O 3.48Å
281A84.8Confident79.6Confident2 Ų230.3 Ų30.32%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-134.6128.2169.900000109.7A333 V365 W367A281-A333 PolarHBondContact N-O 3.35Å; A281-A333 PolarHBondContact O-N 3.3Å; A281-V365 HydrophobicContact CB-CG2 4Å; A281-W367 PolarHBondContact O-NE1 3.27Å
282L84.1Confident80.4Confident4 Ų424.5 Ų24.52%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-90.7143.8176.3-58.7166.9000109.2K246 Y254 T284 D285 L332 W367K246-L282 HydrophobicContact CB-CD1 3.87Å; K246-L282 HydrophobicContact CB-CG 4.34Å; Y254-L282 HydrophobicContact CD2-CD1 3.78Å; Y254-L282 HydrophobicContact CD2-CD2 4.1Å; Y254-L282 HydrophobicContact CE2-CD1 3.98Å; Y254-L282 HydrophobicContact CE2-CD2 4.19Å; Y254-L282 HydrophobicContact CG-CD2 4.43Å; L282-T284 PolarHBondContact O-N 2.84Å; L282-D285 WeakPolarHBondContact CB-OD1 3.43Å; L282-D285 PolarHBondContact N-OD2 2.97Å; L282-D285 VanDerWaalsContact N-OD2 3.09Å; L282-D285 VanDerWaalsContact O-CB 3.23Å; L282-D285 WeakPolarHBondContact O-CB 3.04Å; L282-D285 PolarHBondContact O-N 2.84Å; L282-L332 HydrophobicContact CD2-CD1 3.53Å; L282-L332 HydrophobicContact CG-CD1 4.41Å; L282-W367 VanDerWaalsContact C-CD1 3.49Å
283S79.2Confident81.3Confident5 Ų523 Ų234%0.03512%0.124CC..THydrogen-bonded Turntrans-59.7-28.517361.60000112.5D285 R330 L331 S371S283-D285 VanDerWaalsContact C-N 3.34Å; S283-R330 PolarHBondContact OG-N 3.1Å; S283-L331 PolarHBondContact N-O 3.46Å; S283-L331 PolarHBondContact OG-N 2.88Å; S283-S371 PolarHBondContact O-OG 3.39Å; S283-S371 VanDerWaalsContact O-OG 3.09Å
284T80.8Confident81.7Confident3 Ų324.9 Ų24.92%0.01813%0.133CC..THydrogen-bonded Turntrans-82-7.3177.948.50000113.8L282 Y286 V287 L288 Y320 E329L282-T284 PolarHBondContact O-N 2.84Å; T284-Y286 PolarHBondContact O-N 2.72Å; T284-Y286 VanDerWaalsContact O-N 3.08Å; T284-V287 PolarHBondContact O-N 3.27Å; T284-L288 WeakPolarHBondContact O-CG 3.12Å; T284-L288 PolarHBondContact O-N 2.89Å; T284-L288 VanDerWaalsContact O-N 3.12Å; T284-Y320 HydrophobicContact CG2-CE2 4.14Å; T284-E329 HydrophobicContact CG2-CB 4.45Å; T284-E329 HydrophobicContact CG2-CG 4Å; T284-E329 PolarHBondContact OG1-OE1 2.98Å
285D81.1Confident82.2Confident30 Ų3021.7 Ų21.716%0.1611%0.105CC..Hα-helixtrans-53.1-36.9-176.8-84.4-12.1000112.1K246 L282 S283 L288 R289K246-D285 WeakPolarHBondContact CE-OD2 3.02Å; K246-D285 IonicContact NZ-OD1 3.83Å; K246-D285 IonicContact NZ-OD2 3.93Å; K246-D285 PolarHBondContact NZ-OD2 3.2Å; L282-D285 WeakPolarHBondContact CB-OD1 3.43Å; L282-D285 PolarHBondContact N-OD2 2.97Å; L282-D285 VanDerWaalsContact N-OD2 3.09Å; L282-D285 VanDerWaalsContact O-CB 3.23Å; L282-D285 WeakPolarHBondContact O-CB 3.04Å; L282-D285 PolarHBondContact O-N 2.84Å; S283-D285 VanDerWaalsContact C-N 3.34Å; D285-L288 PolarHBondContact O-N 3.49Å; D285-R289 VanDerWaalsContact O-CB 3.25Å; D285-R289 WeakPolarHBondContact O-CB 3.29Å; D285-R289 PolarHBondContact O-N 2.77Å
286Y84.9Confident82Confident12 Ų1220 Ų205%0.04710%0.104CC..Hα-helixtrans-56.8-52.8178168.5-116.6000112.1T284 R289 T290 E294 P295 R319 A369 P411T284-Y286 PolarHBondContact O-N 2.72Å; T284-Y286 VanDerWaalsContact O-N 3.08Å; Y286-R289 PolarHBondContact O-N 3.2Å; Y286-T290 HydrophobicContact CD2-CG2 4.1Å; Y286-T290 HydrophobicContact CE2-CG2 3.65Å; Y286-T290 WeakPolarHBondContact O-CG2 3.35Å; Y286-T290 PolarHBondContact O-N 3.24Å; Y286-T290 VanDerWaalsContact O-N 3.07Å; Y286-E294 PolarHBondContact OH-OE1 3.2Å; Y286-P295 HydrophobicContact CE2-CG 4.2Å; Y286-P295 VanDerWaalsContact OH-CD 3.3Å; Y286-P295 WeakPolarHBondContact OH-CD 3.26Å; Y286-P295 WeakPolarHBondContact OH-CG 3.36Å; Y286-R319 VanDerWaalsContact CE1-NH2 3.27Å; Y286-R319 PolarHBondContact OH-NH2 3.21Å; Y286-A369 HydrophobicContact CD1-CB 3.65Å; Y286-A369 WeakPolarHBondContact CD1-O 3.36Å; Y286-A369 HydrophobicContact CD2-CB 3.55Å; Y286-A369 HydrophobicContact CE1-CB 3.57Å; Y286-A369 HydrophobicContact CE2-CB 3.49Å; Y286-A369 VanDerWaalsContact CE2-CB 3.49Å; Y286-A369 VanDerWaalsContact CG-CA 3.49Å; Y286-A369 HydrophobicContact CG-CB 3.63Å; Y286-A369 VanDerWaalsContact CZ-CB 3.47Å; Y286-P411 HydrophobicContact CD2-CB 4.37Å; Y286-P411 VanDerWaalsContact CE2-CA 3.41Å; Y286-P411 HydrophobicContact CE2-CB 3.71Å; Y286-P411 WeakPolarHBondContact CE2-O 3.18Å; Y286-P411 VanDerWaalsContact CZ-O 3.28Å; Y286-P411 PolarHBondContact OH-O 3.24Å; Y286-P411 VanDerWaalsContact OH-O 3.05Å
287V84.2Confident81.5Confident2 Ų220.3 Ų20.31%0.01212%0.118CC..Hα-helixtrans-70.4-37.5-175.5-179.50000111T284 R289 T290 G291 R319 V323T284-V287 PolarHBondContact O-N 3.27Å; V287-R289 VanDerWaalsContact C-N 3.28Å; V287-R289 PolarHBondContact O-N 3.32Å; V287-T290 PolarHBondContact O-N 2.85Å; V287-G291 PolarHBondContact O-N 3.31Å; V287-R319 HydrophobicContact CG1-CB 4.4Å; V287-R319 HydrophobicContact CG1-CG 3.85Å; V287-V323 HydrophobicContact CG2-CB 3.69Å; V287-V323 HydrophobicContact CG2-CG1 3.71Å; V287-V323 HydrophobicContact CG2-CG2 3.52Å
288L87.3Confident80.8Confident13 Ų1322 Ų227%0.06813%0.133CC..Hα-helixtrans-65.9-34.6177.1-59.4173000111.4P202 G249 T284 D285 Y320P202-L288 HydrophobicContact CB-CD2 3.84Å; P202-L288 HydrophobicContact CG-CD2 3.9Å; G249-L288 VanDerWaalsContact CA-CD2 3.48Å; T284-L288 WeakPolarHBondContact O-CG 3.12Å; T284-L288 PolarHBondContact O-N 2.89Å; T284-L288 VanDerWaalsContact O-N 3.12Å; D285-L288 PolarHBondContact O-N 3.49Å; L288-Y320 HydrophobicContact CD2-CD2 3.81Å; L288-Y320 HydrophobicContact CD2-CE2 3.98Å
289R85.6Confident79.9Confident49 Ų4927.1 Ų27.119%0.18517%0.165CC..Hα-helixtrans-72.2-34.8175.6-174.8177.665.4-177.8-4.1112.9P117 P159 D285 Y286 V287 D408 W409P117-R289 WeakPolarHBondContact CB-O 3.14Å; P159-R289 WeakPolarHBondContact CA-O 3.35Å; D285-R289 VanDerWaalsContact O-CB 3.25Å; D285-R289 WeakPolarHBondContact O-CB 3.29Å; D285-R289 PolarHBondContact O-N 2.77Å; Y286-R289 PolarHBondContact O-N 3.2Å; V287-R289 VanDerWaalsContact C-N 3.28Å; V287-R289 PolarHBondContact O-N 3.32Å; R289-D408 IonicContact CZ-OD1 3.88Å; R289-D408 IonicContact NH1-OD1 3.44Å; R289-D408 PolarHBondContact NH1-OD1 3.48Å; R289-D408 IonicContact NH1-OD2 3.88Å; R289-D408 PolarHBondContact NH1-OD2 2.81Å; R289-W409 PolarHBondContact NH1-O 3.42Å; R289-W409 PolarHBondContact NH2-O 2.76Å
290T85.5Confident79.1Confident1 Ų131.1 Ų31.11%0.00619%0.186CC..Hα-helixtrans-92.4-13.7-179.172.20000113.9Y286 V287 A292 F293 P295 R319 P411Y286-T290 HydrophobicContact CD2-CG2 4.1Å; Y286-T290 HydrophobicContact CE2-CG2 3.65Å; Y286-T290 WeakPolarHBondContact O-CG2 3.35Å; Y286-T290 PolarHBondContact O-N 3.24Å; Y286-T290 VanDerWaalsContact O-N 3.07Å; V287-T290 PolarHBondContact O-N 2.85Å; T290-A292 PolarHBondContact O-N 3.32Å; T290-F293 WeakPolarHBondContact CB-O 3.46Å; T290-F293 WeakPolarHBondContact O-CB 3.34Å; T290-F293 PolarHBondContact O-N 2.6Å; T290-F293 PolarHBondContact OG1-O 3.19Å; T290-P295 HydrophobicContact CG2-CG 3.65Å; T290-R319 PolarHBondContact OG1-NE 3.15Å; T290-R319 PolarHBondContact OG1-NH2 3.4Å; T290-P411 HydrophobicContact CG2-CB 3.73Å; T290-P411 HydrophobicContact CG2-CG 4.3Å
291G85.3Confident78.6Confident3 Ų332.8 Ų32.83%0.03120%0.195CC..THydrogen-bonded Turntrans56-124.417700000112V287 F293 R319V287-G291 PolarHBondContact O-N 3.31Å; G291-F293 PolarHBondContact O-N 3.34Å; G291-R319 WeakPolarHBondContact O-CD 3.35Å
292A81.8Confident77.8Confident24 Ų2433.2 Ų33.220%0.19820%0.197CC..THydrogen-bonded Turntrans-74.3-11.917900000113.7L203 T290 L305 I312 A315 A316L203-A292 HydrophobicContact CD2-CB 4.13Å; T290-A292 PolarHBondContact O-N 3.32Å; A292-L305 HydrophobicContact CB-CD2 4.12Å; A292-I312 HydrophobicContact CB-CG2 3.84Å; A292-I312 WeakPolarHBondContact CB-O 3.48Å; A292-A315 HydrophobicContact CB-CB 3.99Å; A292-A316 HydrophobicContact CB-CB 4.15Å
293F80.8Confident77.3Confident15 Ų1534.6 Ų34.67%0.06620%0.203CC..  trans-93.3132.9-171.8171.2-96.5000111.2P117 T118 T290 G291 P295 A298 I300 P302 R319P117-F293 VanDerWaalsContact O-CE1 3.31Å; P117-F293 WeakPolarHBondContact O-CE1 3.2Å; T118-F293 HydrophobicContact CG2-CZ 4.42Å; T290-F293 WeakPolarHBondContact CB-O 3.46Å; T290-F293 WeakPolarHBondContact O-CB 3.34Å; T290-F293 PolarHBondContact O-N 2.6Å; T290-F293 PolarHBondContact OG1-O 3.19Å; G291-F293 PolarHBondContact O-N 3.34Å; F293-P295 HydrophobicContact CD1-CB 4.39Å; F293-P295 HydrophobicContact CD1-CG 3.86Å; F293-P295 HydrophobicContact CE1-CB 3.64Å; F293-P295 HydrophobicContact CE1-CG 3.57Å; F293-P295 HydrophobicContact CZ-CB 4.32Å; F293-P295 VanDerWaalsContact O-CD 3.3Å; F293-P295 WeakPolarHBondContact O-CD 3.38Å; F293-A298 HydrophobicContact CD2-CB 3.49Å; F293-A298 VanDerWaalsContact CD2-CB 3.49Å; F293-A298 HydrophobicContact CE2-CB 3.03Å; F293-A298 HydrophobicContact CG-CB 4.44Å; F293-A298 HydrophobicContact CZ-CB 3.67Å; F293-I300 WeakPolarHBondContact CD2-O 3.46Å; F293-I300 WeakPolarHBondContact CE2-O 3.3Å; F293-P302 HydrophobicContact CB-CB 4.47Å; F293-P302 HydrophobicContact CB-CG 3.86Å; F293-P302 HydrophobicContact CD1-CG 3.66Å; F293-P302 HydrophobicContact CD2-CG 3.81Å; F293-P302 HydrophobicContact CE1-CG 4.1Å; F293-P302 HydrophobicContact CE2-CG 4.2Å; F293-P302 HydrophobicContact CG-CG 3.53Å; F293-P302 HydrophobicContact CZ-CG 4.35Å; F293-R319 VanDerWaalsContact O-CZ 3.28Å; F293-R319 PolarHBondContact O-NE 2.8Å
294E80.3Confident77Confident53 Ų5338.5 Ų38.525%0.24822%0.224CC..  trans-10399169.5-177.559-89.100109.9Y286 A296 T297 A298 R319Y286-E294 PolarHBondContact OH-OE1 3.2Å; E294-A296 HydrophobicContact CG-CB 4.1Å; E294-A296 PolarHBondContact O-N 3.47Å; E294-T297 WeakPolarHBondContact CB-OG1 3.15Å; E294-T297 HydrophobicContact CG-CG2 4.17Å; E294-T297 VanDerWaalsContact CG-OG1 3.24Å; E294-T297 WeakPolarHBondContact CG-OG1 3.14Å; E294-T297 PolarHBondContact O-N 3.14Å; E294-T297 VanDerWaalsContact O-N 3.11Å; E294-A298 WeakPolarHBondContact O-CB 3.38Å; E294-A298 PolarHBondContact O-N 2.84Å; E294-R319 VanDerWaalsContact CA-NH1 3.28Å; E294-R319 IonicContact OE1-CZ 3.93Å; E294-R319 IonicContact OE1-NH1 2.84Å; E294-R319 IonicContact OE1-NH2 3.62Å; E294-R319 PolarHBondContact OE1-NH2 3.44Å; E294-R319 IonicContact OE2-CZ 2.74Å; E294-R319 IonicContact OE2-NH1 2.84Å; E294-R319 PolarHBondContact OE2-NH1 2.92Å; E294-R319 IonicContact OE2-NH2 2.8Å; E294-R319 PolarHBondContact OE2-NH2 3Å
295P76.4Confident76.4Confident19 Ų1941.2 Ų41.212%0.12324%0.238CC..THydrogen-bonded Turntrans-53.7-30.5178.6-15.315.1000114.5Y286 T290 F293 P411 D412Y286-P295 HydrophobicContact CE2-CG 4.2Å; Y286-P295 VanDerWaalsContact OH-CD 3.3Å; Y286-P295 WeakPolarHBondContact OH-CD 3.26Å; Y286-P295 WeakPolarHBondContact OH-CG 3.36Å; T290-P295 HydrophobicContact CG2-CG 3.65Å; F293-P295 HydrophobicContact CD1-CB 4.39Å; F293-P295 HydrophobicContact CD1-CG 3.86Å; F293-P295 HydrophobicContact CE1-CB 3.64Å; F293-P295 HydrophobicContact CE1-CG 3.57Å; F293-P295 HydrophobicContact CZ-CB 4.32Å; F293-P295 VanDerWaalsContact O-CD 3.3Å; F293-P295 WeakPolarHBondContact O-CD 3.38Å; P295-P411 HydrophobicContact CB-CB 3.9Å; P295-P411 HydrophobicContact CG-CB 3.26Å; P295-D412 HydrophobicContact CB-CB 4.22Å
296A70.9Confident75.6Confident44 Ų4446.2 Ų46.236%0.36427%0.27SS..THydrogen-bonded Turntrans-70.1-30.2-178.600000113.8F91 E294F91-A296 HydrophobicContact CD2-CB 3.43Å; F91-A296 VanDerWaalsContact CD2-CB 3.43Å; F91-A296 HydrophobicContact CE2-CB 3.56Å; F91-A296 HydrophobicContact CG-CB 4.12Å; F91-A296 HydrophobicContact CZ-CB 4.34Å; E294-A296 HydrophobicContact CG-CB 4.1Å; E294-A296 PolarHBondContact O-N 3.47Å
297T69.9Low75Confident112 Ų11247.7 Ų47.769%0.68729%0.289SS*.THydrogen-bonded Turntrans-120.7-6.7-173.461.60000113.3E294E294-T297 WeakPolarHBondContact CB-OG1 3.15Å; E294-T297 HydrophobicContact CG-CG2 4.17Å; E294-T297 VanDerWaalsContact CG-OG1 3.24Å; E294-T297 WeakPolarHBondContact CG-OG1 3.14Å; E294-T297 PolarHBondContact O-N 3.14Å; E294-T297 VanDerWaalsContact O-N 3.11Å
298A63.3Low75Confident42 Ų4250 Ų5035%0.34731%0.305SS..  trans-80.4136.1-170.900000113.3F293 E294F293-A298 HydrophobicContact CD2-CB 3.49Å; F293-A298 VanDerWaalsContact CD2-CB 3.49Å; F293-A298 HydrophobicContact CE2-CB 3.03Å; F293-A298 HydrophobicContact CG-CB 4.44Å; F293-A298 HydrophobicContact CZ-CB 3.67Å; E294-A298 WeakPolarHBondContact O-CB 3.38Å; E294-A298 PolarHBondContact O-N 2.84Å
299T61.8Low74.9Confident133 Ų13353.4 Ų53.482%0.81632%0.323SS*.SBendtrans-96-20.1174.249.50000112.7
300I67.4Low75Confident88 Ų8858.6 Ų58.645%0.45135%0.349SS..SBendtrans-120.8138-173.4-58169.4000109.3F293 D304F293-I300 WeakPolarHBondContact CD2-O 3.46Å; F293-I300 WeakPolarHBondContact CE2-O 3.3Å; I300-D304 HydrophobicContact CG2-CB 3.7Å
301N74.5Confident75Confident35 Ų3564.2 Ų64.219%0.18738%0.375CS..  trans-71.2154179.8-51.2-57.2000112.1T118 K120 Q303 D304 L305T118-N301 HydrophobicContact CG2-CB 3.87Å; K120-N301 WeakPolarHBondContact CE-OD1 3.37Å; K120-N301 PolarHBondContact NZ-OD1 2.76Å; N301-Q303 PolarHBondContact O-N 2.58Å; N301-D304 WeakPolarHBondContact CB-OD2 3.27Å; N301-D304 PolarHBondContact ND2-OD2 3.49Å; N301-D304 CarbonylContact O-C 3.6Å; N301-D304 WeakPolarHBondContact O-CA 3.42Å; N301-D304 PolarHBondContact O-N 2.74Å; N301-L305 PolarHBondContact O-N 2.86Å
302P69.1Low75Confident10 Ų1065.3 Ų65.37%0.06538%0.38CS..G310 helixtrans-52-35.7171-24.533.4000114.1P117 T118 D160 F293 D304 L305P117-P302 HydrophobicContact CB-CG 4.18Å; T118-P302 HydrophobicContact CG2-CG 3.85Å; D160-P302 CarbonylContact O-C 3.6Å; D160-P302 WeakPolarHBondContact O-CB 2.98Å; F293-P302 HydrophobicContact CB-CB 4.47Å; F293-P302 HydrophobicContact CB-CG 3.86Å; F293-P302 HydrophobicContact CD1-CG 3.66Å; F293-P302 HydrophobicContact CD2-CG 3.81Å; F293-P302 HydrophobicContact CE1-CG 4.1Å; F293-P302 HydrophobicContact CE2-CG 4.2Å; F293-P302 HydrophobicContact CG-CG 3.53Å; F293-P302 HydrophobicContact CZ-CG 4.35Å; P302-D304 PolarHBondContact O-N 2.86Å; P302-L305 PolarHBondContact O-N 3.12Å
303Q73.6Confident75.4Confident33 Ų3368.3 Ų68.315%0.15439%0.389CS..G310 helixtrans-67.3-27.7178.7-60.688.31.700112.2D160 G161 K162 N301D160-Q303 PolarHBondContact O-N 2.85Å; G161-Q303 VanDerWaalsContact C-NE2 3.3Å; G161-Q303 WeakPolarHBondContact O-CG 3.43Å; G161-Q303 PolarHBondContact O-NE2 3.1Å; K162-Q303 WeakPolarHBondContact CE-O 3.44Å; K162-Q303 HydrophobicContact CG-CB 4.21Å; K162-Q303 HydrophobicContact CG-CG 3.95Å; N301-Q303 PolarHBondContact O-N 2.58Å
304D71.4Confident75.7Confident87 Ų8772.1 Ų72.147%0.46541%0.407SS..G310 helixtrans-99.37-174.8-53.9-40.6000112I300 N301 P302 T306I300-D304 HydrophobicContact CG2-CB 3.7Å; N301-D304 WeakPolarHBondContact CB-OD2 3.27Å; N301-D304 PolarHBondContact ND2-OD2 3.49Å; N301-D304 CarbonylContact O-C 3.6Å; N301-D304 WeakPolarHBondContact O-CA 3.42Å; N301-D304 PolarHBondContact O-N 2.74Å; P302-D304 PolarHBondContact O-N 2.86Å; D304-T306 PolarHBondContact O-N 2.93Å
305L69.8Low76Confident60 Ų6071.6 Ų71.631%0.31441%0.411SS..  trans-64.5107.9179.1-134.583.7000109.5A292 N301 P302 I312A292-L305 HydrophobicContact CB-CD2 4.12Å; N301-L305 PolarHBondContact O-N 2.86Å; P302-L305 PolarHBondContact O-N 3.12Å; L305-I312 HydrophobicContact CB-CD1 4.37Å; L305-I312 HydrophobicContact CD2-CD1 4Å; L305-I312 HydrophobicContact CD2-CG1 3.91Å; L305-I312 HydrophobicContact CD2-CG2 4.07Å
306T64.4Low76.5Confident136 Ų13670.8 Ų70.883%0.83441%0.406SS*.  trans-94116.2175.955.20000109.5D304D304-T306 PolarHBondContact O-N 2.93Å
307G70.8Confident77.3Confident43 Ų4371.3 Ų71.344%0.44340%0.403SS..SBendtrans177.1170.5179.300000110.7E311G307-E311 WeakPolarHBondContact CA-OE2 3.18Å
308S85.1Confident78.1Confident49 Ų4971.6 Ų71.634%0.34340%0.396SS..  trans-67.8146.3171.169.60000109.8E310 E311 I312S308-E310 PolarHBondContact O-N 3.04Å; S308-E310 VanDerWaalsContact O-N 3.08Å; S308-E311 PolarHBondContact N-OE2 2.71Å; S308-E311 VanDerWaalsContact N-OE2 3.11Å; S308-E311 WeakPolarHBondContact O-CB 3.25Å; S308-E311 PolarHBondContact O-N 3.28Å; S308-E311 WeakPolarHBondContact OG-CG 3.35Å; S308-E311 PolarHBondContact OG-N 3.13Å; S308-E311 PolarHBondContact OG-OE1 3.4Å; S308-I312 WeakPolarHBondContact O-CG1 3.31Å; S308-I312 PolarHBondContact O-N 2.75Å
309L85.5Confident79.1Confident85 Ų8570.8 Ų70.845%0.44538%0.384SS..Hα-helixtrans-57-28.1178.6-71.2173.6000112.1P207 E208 K313P207-L309 HydrophobicContact CB-CB 4.11Å; P207-L309 HydrophobicContact CB-CD2 4.15Å; P207-L309 WeakPolarHBondContact CB-O 3.47Å; P207-L309 HydrophobicContact CG-CB 3.94Å; E208-L309 HydrophobicContact CG-CD1 4.1Å; L309-K313 VanDerWaalsContact O-CB 3.32Å; L309-K313 WeakPolarHBondContact O-CB 3.47Å; L309-K313 PolarHBondContact O-N 3.11Å
310E86.6Confident80.3Confident159 Ų15964.7 Ų64.774%0.74335%0.346SS*.Hα-helixtrans-70.1-42.3176.4-63.1-174.1167.500112.5S308 I312 K313 E314S308-E310 PolarHBondContact O-N 3.04Å; S308-E310 VanDerWaalsContact O-N 3.08Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 3.44Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 3.41Å; E310-E314 WeakPolarHBondContact O-CB 3.35Å; E310-E314 PolarHBondContact O-N 3.44Å
311E86.4Confident80.9Confident119 Ų11964 Ų6456%0.55634%0.343SS*.Hα-helixtrans-60.7-43.4174-75.5152.4-145.600111.6G307 S308 K313 E314 A315G307-E311 WeakPolarHBondContact CA-OE2 3.18Å; S308-E311 PolarHBondContact N-OE2 2.71Å; S308-E311 VanDerWaalsContact N-OE2 3.11Å; S308-E311 WeakPolarHBondContact O-CB 3.25Å; S308-E311 PolarHBondContact O-N 3.28Å; S308-E311 WeakPolarHBondContact OG-CG 3.35Å; S308-E311 PolarHBondContact OG-N 3.13Å; S308-E311 PolarHBondContact OG-OE1 3.4Å; E311-K313 VanDerWaalsContact C-N 3.32Å; E311-K313 PolarHBondContact O-N 2.86Å; E311-E314 PolarHBondContact O-N 3.31Å; E311-A315 WeakPolarHBondContact O-CB 3.35Å; E311-A315 PolarHBondContact O-N 3.41Å
312I85.4Confident81.1Confident25 Ų2571 Ų7113%0.12837%0.372CS..Hα-helixtrans-63.6-42.9178.3-57.7-176.2000110.2L203 A292 L305 S308 E310 A316L203-I312 HydrophobicContact CD2-CG2 3.61Å; L203-I312 HydrophobicContact CG-CG2 4.23Å; A292-I312 HydrophobicContact CB-CG2 3.84Å; A292-I312 WeakPolarHBondContact CB-O 3.48Å; L305-I312 HydrophobicContact CB-CD1 4.37Å; L305-I312 HydrophobicContact CD2-CD1 4Å; L305-I312 HydrophobicContact CD2-CG1 3.91Å; L305-I312 HydrophobicContact CD2-CG2 4.07Å; S308-I312 WeakPolarHBondContact O-CG1 3.31Å; S308-I312 PolarHBondContact O-N 2.75Å; E310-I312 VanDerWaalsContact C-N 3.33Å; E310-I312 PolarHBondContact O-N 3.44Å; I312-A316 WeakPolarHBondContact O-CB 3.44Å; I312-A316 PolarHBondContact O-N 3.48Å
313K89.2Confident81.3Confident88 Ų8873.7 Ų73.738%0.38339%0.388SS..Hα-helixtrans-60.5-47.1177.1-173.6-172.4177.8-179.40111.4H204 P207 L309 E310 E311 A316 L317H204-K313 WeakPolarHBondContact O-CE 3.26Å; H204-K313 WeakPolarHBondContact O-CG 3.4Å; P207-K313 HydrophobicContact CB-CB 4.25Å; P207-K313 HydrophobicContact CG-CB 4.24Å; L309-K313 VanDerWaalsContact O-CB 3.32Å; L309-K313 WeakPolarHBondContact O-CB 3.47Å; L309-K313 PolarHBondContact O-N 3.11Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 3.41Å; E311-K313 VanDerWaalsContact C-N 3.32Å; E311-K313 PolarHBondContact O-N 2.86Å; K313-A316 PolarHBondContact O-N 3.21Å; K313-L317 WeakPolarHBondContact O-CB 3.1Å; K313-L317 PolarHBondContact O-N 3.32Å
314E87.6Confident81.2Confident95 Ų9575.7 Ų75.744%0.44439%0.394SS..Hα-helixtrans-66.6-43.5-179.2-173.158.2-149.900111.5E310 E311 A316 L317 Q318E310-E314 WeakPolarHBondContact O-CB 3.35Å; E310-E314 PolarHBondContact O-N 3.44Å; E311-E314 PolarHBondContact O-N 3.31Å; E314-A316 VanDerWaalsContact C-N 3.33Å; E314-A316 PolarHBondContact O-N 2.96Å; E314-L317 WeakPolarHBondContact O-CB 3.43Å; E314-L317 PolarHBondContact O-N 2.92Å; E314-L317 VanDerWaalsContact O-N 3.14Å; E314-Q318 WeakPolarHBondContact O-CG 3.49Å; E314-Q318 PolarHBondContact O-N 3.39Å; E314-Q318 PolarHBondContact OE1-NE2 3.41Å
315A86.7Confident80.9Confident41 Ų4173.7 Ų73.734%0.33940%0.395SS..Hα-helixtrans-60.5-42.1175.100000112.2A292 E311 Q318 R319A292-A315 HydrophobicContact CB-CB 3.99Å; E311-A315 WeakPolarHBondContact O-CB 3.35Å; E311-A315 PolarHBondContact O-N 3.41Å; A315-Q318 PolarHBondContact O-N 2.99Å; A315-R319 WeakPolarHBondContact O-CB 3.49Å; A315-R319 PolarHBondContact O-N 3.4Å; A315-R319 VanDerWaalsContact O-N 3.08Å
316A86.8Confident79.9Confident2 Ų277.3 Ų77.32%0.01743%0.425CS..Hα-helixtrans-63.3-40.7174.400000111.9L203 H204 A292 I312 K313 E314 R319 Y320L203-A316 HydrophobicContact CB-CB 4.26Å; L203-A316 HydrophobicContact CD2-CB 4.27Å; L203-A316 HydrophobicContact CG-CB 4.48Å; H204-A316 HydrophobicContact CB-CB 3.77Å; A292-A316 HydrophobicContact CB-CB 4.15Å; I312-A316 WeakPolarHBondContact O-CB 3.44Å; I312-A316 PolarHBondContact O-N 3.48Å; K313-A316 PolarHBondContact O-N 3.21Å; E314-A316 VanDerWaalsContact C-N 3.33Å; E314-A316 PolarHBondContact O-N 2.96Å; A316-R319 PolarHBondContact O-N 3.37Å; A316-Y320 WeakPolarHBondContact O-CB 3.33Å; A316-Y320 PolarHBondContact O-N 3.26Å
317L88.3Confident79.2Confident56 Ų5672.7 Ų72.729%0.29340%0.401SS..Hα-helixtrans-65.4-44.9178-176.760.4000111.8H204 K313 E314 R319 Y320 N321H204-L317 HydrophobicContact CB-CB 3.97Å; K313-L317 WeakPolarHBondContact O-CB 3.1Å; K313-L317 PolarHBondContact O-N 3.32Å; E314-L317 WeakPolarHBondContact O-CB 3.43Å; E314-L317 PolarHBondContact O-N 2.92Å; E314-L317 VanDerWaalsContact O-N 3.14Å; L317-R319 VanDerWaalsContact C-N 3.32Å; L317-R319 PolarHBondContact O-N 2.86Å; L317-Y320 PolarHBondContact O-N 3.44Å; L317-N321 WeakPolarHBondContact O-CB 3.41Å; L317-N321 VanDerWaalsContact O-CG 3.29Å; L317-N321 PolarHBondContact O-N 2.87Å; L317-N321 PolarHBondContact O-ND2 3.45Å
318Q86.9Confident78.2Confident117 Ų11772.5 Ų72.555%0.54739%0.392SS..Hα-helixtrans-60.2-43.5177.3-72.4176.87.600111.5E314 A315 N321 K322E314-Q318 WeakPolarHBondContact O-CG 3.49Å; E314-Q318 PolarHBondContact O-N 3.39Å; E314-Q318 PolarHBondContact OE1-NE2 3.41Å; A315-Q318 PolarHBondContact O-N 2.99Å; Q318-N321 PolarHBondContact O-N 3.28Å; Q318-K322 WeakPolarHBondContact O-CB 3.2Å; Q318-K322 PolarHBondContact O-N 2.96Å
319R84.8Confident77Confident26 Ų2670.5 Ų70.510%0.09838%0.377CS..Hα-helixtrans-64.4-44.8176.2-172-162.9172.171.14.9111.8Y286 V287 T290 G291 F293 E294 A315 A316 L317 N321 K322 V323Y286-R319 VanDerWaalsContact CE1-NH2 3.27Å; Y286-R319 PolarHBondContact OH-NH2 3.21Å; V287-R319 HydrophobicContact CG1-CB 4.4Å; V287-R319 HydrophobicContact CG1-CG 3.85Å; T290-R319 PolarHBondContact OG1-NE 3.15Å; T290-R319 PolarHBondContact OG1-NH2 3.4Å; G291-R319 WeakPolarHBondContact O-CD 3.35Å; F293-R319 VanDerWaalsContact O-CZ 3.28Å; F293-R319 PolarHBondContact O-NE 2.8Å; E294-R319 VanDerWaalsContact CA-NH1 3.28Å; E294-R319 IonicContact OE1-CZ 3.93Å; E294-R319 IonicContact OE1-NH1 2.84Å; E294-R319 IonicContact OE1-NH2 3.62Å; E294-R319 PolarHBondContact OE1-NH2 3.44Å; E294-R319 IonicContact OE2-CZ 2.74Å; E294-R319 IonicContact OE2-NH1 2.84Å; E294-R319 PolarHBondContact OE2-NH1 2.92Å; E294-R319 IonicContact OE2-NH2 2.8Å; E294-R319 PolarHBondContact OE2-NH2 3Å; A315-R319 WeakPolarHBondContact O-CB 3.49Å; A315-R319 PolarHBondContact O-N 3.4Å; A315-R319 VanDerWaalsContact O-N 3.08Å; A316-R319 PolarHBondContact O-N 3.37Å; L317-R319 VanDerWaalsContact C-N 3.32Å; L317-R319 PolarHBondContact O-N 2.86Å; R319-N321 PolarHBondContact O-N 3.28Å; R319-K322 PolarHBondContact O-N 3.4Å; R319-V323 PolarHBondContact O-N 3.38Å; R319-V323 VanDerWaalsContact O-N 3.1Å
320Y85.5Confident76.2Confident4 Ų475.5 Ų75.52%0.01639%0.39CS..Hα-helixtrans-57.6-48.4174.7174.3-110.1000111.2D250 T284 L288 A316 L317 K322 V323 R324D250-Y320 PolarHBondContact N-OH 3.49Å; D250-Y320 WeakPolarHBondContact OD1-CE1 3.3Å; D250-Y320 PolarHBondContact OD1-OH 3.36Å; T284-Y320 HydrophobicContact CG2-CE2 4.14Å; L288-Y320 HydrophobicContact CD2-CD2 3.81Å; L288-Y320 HydrophobicContact CD2-CE2 3.98Å; A316-Y320 WeakPolarHBondContact O-CB 3.33Å; A316-Y320 PolarHBondContact O-N 3.26Å; L317-Y320 PolarHBondContact O-N 3.44Å; Y320-K322 VanDerWaalsContact C-N 3.33Å; Y320-K322 PolarHBondContact O-N 3.08Å; Y320-V323 PolarHBondContact O-N 2.88Å; Y320-R324 WeakPolarHBondContact O-CB 3.37Å; Y320-R324 PolarHBondContact O-N 3.41Å
321N81.3Confident75.8Confident73 Ų7369 Ų6939%0.3936%0.36SS..Hα-helixtrans-63.3-37.2177.9-71.6-23.7000112.5L317 Q318 R319 G325L317-N321 WeakPolarHBondContact O-CB 3.41Å; L317-N321 VanDerWaalsContact O-CG 3.29Å; L317-N321 PolarHBondContact O-N 2.87Å; L317-N321 PolarHBondContact O-ND2 3.45Å; Q318-N321 PolarHBondContact O-N 3.28Å; R319-N321 PolarHBondContact O-N 3.28Å; N321-G325 PolarHBondContact O-N 3.37Å
322K77.3Confident75.7Confident182 Ų18263.7 Ų63.779%0.79134%0.335SS*.Hα-helixtrans-63.1-43.1176.6-175177.3-179177.60112.5Q318 R319 Y320Q318-K322 WeakPolarHBondContact O-CB 3.2Å; Q318-K322 PolarHBondContact O-N 2.96Å; R319-K322 PolarHBondContact O-N 3.4Å; Y320-K322 VanDerWaalsContact C-N 3.33Å; Y320-K322 PolarHBondContact O-N 3.08Å
323V75Confident75.9Confident67 Ų6762.5 Ų62.541%0.40633%0.329SS..Hα-helixtrans-79.8-33.7-179.9174.40000112.1V287 R319 Y320V287-V323 HydrophobicContact CG2-CB 3.69Å; V287-V323 HydrophobicContact CG2-CG1 3.71Å; V287-V323 HydrophobicContact CG2-CG2 3.52Å; R319-V323 PolarHBondContact O-N 3.38Å; R319-V323 VanDerWaalsContact O-N 3.1Å; Y320-V323 PolarHBondContact O-N 2.88Å
324R71.4Confident75.9Confident75 Ų7558.4 Ų58.428%0.28331%0.311SS..Hα-helixtrans-63.2-43172179.3-174.2177.6159.221.2111.5D250 Y320 A327D250-R324 IonicContact OD1-CZ 3.91Å; D250-R324 VanDerWaalsContact OD1-CZ 3.27Å; D250-R324 IonicContact OD1-NH1 2.79Å; D250-R324 PolarHBondContact OD1-NH1 2.74Å; D250-R324 IonicContact OD1-NH2 3.49Å; D250-R324 PolarHBondContact OD1-NH2 3.3Å; D250-R324 IonicContact OD2-CZ 3.27Å; D250-R324 IonicContact OD2-NH1 2.67Å; D250-R324 IonicContact OD2-NH2 3.31Å; D250-R324 PolarHBondContact OD2-NH2 3.34Å; Y320-R324 WeakPolarHBondContact O-CB 3.37Å; Y320-R324 PolarHBondContact O-N 3.41Å; R324-A327 WeakPolarHBondContact CG-O 3.41Å
325G65.2Low76Confident46 Ų4653.9 Ų53.947%0.47429%0.29SS..THydrogen-bonded Turntrans65.8-148.7-171.900000112.2N321N321-G325 PolarHBondContact O-N 3.37Å
326S48.8Very low76.1Confident136 Ų13651.9 Ų51.995%0.95127%0.274SS*.THydrogen-bonded Turntrans-82.4-5.4-179.558.70000114.7
327A48.1Very low76.2Confident39 Ų3954.6 Ų54.632%0.32229%0.285SS..SBendtrans-113.7146.2179.400000110.8R324R324-A327 WeakPolarHBondContact CG-O 3.41Å
328P50.5Low76.1Confident39 Ų3954 Ų5425%0.25328%0.283SS..SBendtrans-64.8170.6171.528.4-33000111.6R330 R347P328-R330 PolarHBondContact O-N 2.99Å; P328-R330 VanDerWaalsContact O-N 3.1Å; P328-R347 HydrophobicContact CG-CB 3.77Å; P328-R347 VanDerWaalsContact CG-CD 3.46Å; P328-R347 HydrophobicContact CG-CG 3.63Å
329E59.7Low76.4Confident6 Ų653.5 Ų53.53%0.02828%0.279CS..  trans-30.5109.9-174.8-62.2-178151.400113G248 G249 Y254 T284 G346G248-E329 WeakPolarHBondContact CA-OE1 3.3Å; G249-E329 PolarHBondContact N-OE1 3.47Å; G249-E329 VanDerWaalsContact N-OE1 3.13Å; Y254-E329 WeakPolarHBondContact CE2-OE2 3.28Å; Y254-E329 PolarHBondContact OH-OE2 3.11Å; T284-E329 HydrophobicContact CG2-CB 4.45Å; T284-E329 HydrophobicContact CG2-CG 4Å; T284-E329 PolarHBondContact OG1-OE1 2.98Å; E329-G346 VanDerWaalsContact O-CA 3.29Å; E329-G346 WeakPolarHBondContact O-CA 3.49Å
330R68.6Low76.6Confident190 Ų19052.6 Ų52.672%0.71728%0.277SS*.  trans-68.1-46.2-157.2-164.9177.9177167.61.1112.7S283 P328 G346S283-R330 PolarHBondContact OG-N 3.1Å; P328-R330 PolarHBondContact O-N 2.99Å; P328-R330 VanDerWaalsContact O-N 3.1Å; R330-G346 PolarHBondContact O-N 2.82Å
331L78.6Confident77Confident24 Ų2452.5 Ų52.513%0.12628%0.276CS..EExtended strand (participates in β ladder)trans-140.8137.7-173.2-59.8171.7000111.5S283 I343 W344 L352 W367 I388S283-L331 PolarHBondContact N-O 3.46Å; S283-L331 PolarHBondContact OG-N 2.88Å; L331-I343 HydrophobicContact CB-CG2 4.33Å; L331-I343 HydrophobicContact CD2-CG2 3.94Å; L331-W344 WeakPolarHBondContact CA-O 3.5Å; L331-L352 HydrophobicContact CD2-CD1 3.31Å; L331-W367 HydrophobicContact CB-CH2 3.83Å; L331-W367 HydrophobicContact CB-CZ2 3.87Å; L331-W367 HydrophobicContact CD1-CH2 3.77Å; L331-W367 HydrophobicContact CD1-CZ3 4.3Å; L331-W367 HydrophobicContact CG-CH2 4.45Å; L331-I388 HydrophobicContact CD1-CG2 3.68Å
332L84.9Confident77.5Confident7 Ų750.1 Ų50.14%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-108.9129.2168.2-179.974.8000108.1V262 L270 L280 L282 I343 W344V262-L332 HydrophobicContact CG1-CD2 4.43Å; L270-L332 HydrophobicContact CD1-CD2 3.48Å; L270-L332 VanDerWaalsContact CD1-CD2 3.48Å; L280-L332 HydrophobicContact CB-CD1 4.21Å; L280-L332 HydrophobicContact CD2-CD1 4.25Å; L280-L332 HydrophobicContact CD2-CD2 4.25Å; L280-L332 HydrophobicContact CD2-CG 4.38Å; L282-L332 HydrophobicContact CD2-CD1 3.53Å; L282-L332 HydrophobicContact CG-CD1 4.41Å; L332-I343 WeakPolarHBondContact O-CA 3.18Å; L332-W344 HydrophobicContact CB-CB 4.26Å; L332-W344 PolarHBondContact N-O 3.32Å; L332-W344 PolarHBondContact O-N 2.8Å
333A88.8Confident78.1Confident0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-104.9134.8169.300000109.9L280 A281 I341 K342 I343 V365 W367 L374L280-A333 CarbonylContact C-O 3.52Å; L280-A333 WeakPolarHBondContact CA-O 3.48Å; A281-A333 PolarHBondContact N-O 3.35Å; A281-A333 PolarHBondContact O-N 3.3Å; A333-I341 HydrophobicContact CB-CG2 4.48Å; A333-K342 WeakPolarHBondContact CA-O 3.24Å; A333-I343 HydrophobicContact CB-CD1 3.69Å; A333-V365 HydrophobicContact CB-CG2 4.37Å; A333-W367 HydrophobicContact CB-CZ2 3.78Å; A333-L374 HydrophobicContact CB-CD1 3.99Å; A333-L374 HydrophobicContact CB-CD2 4.11Å
334S88.8Confident78.5Confident1 Ų138.8 Ų38.81%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-126.2127174.860.70000111.3H273 T279 I341 K342 W344H273-S334 PolarHBondContact CD2-OG 3.04Å; H273-S334 PolarHBondContact NE2-O 3.13Å; H273-S334 PolarHBondContact NE2-OG 3.36Å; T279-S334 WeakPolarHBondContact O-CA 3.16Å; S334-I341 CarbonylContact O-C 3.54Å; S334-I341 VanDerWaalsContact O-CA 3.29Å; S334-I341 WeakPolarHBondContact O-CA 3.32Å; S334-K342 PolarHBondContact N-O 2.88Å; S334-K342 PolarHBondContact O-N 3.07Å; S334-K342 PolarHBondContact OG-O 2.79Å; S334-W344 PolarHBondContact OG-NE1 3.19Å
335A90.9Very high78.7Confident0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-100.7139.6177.100000111.1N278 T279 V362 V365N278-A335 PolarHBondContact N-O 2.89Å; T279-A335 PolarHBondContact O-N 2.55Å; A335-V362 HydrophobicContact CB-CB 4.14Å; A335-V362 HydrophobicContact CB-CG1 3.74Å; A335-V365 HydrophobicContact CB-CG1 3.85Å; A335-V365 HydrophobicContact CB-CG2 4.09Å
336S89.1Confident78.9Confident0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-138.4160.8-176.6-177.70000113.3H273 H275 W276 D338 K339 S340 V362H273-S336 VanDerWaalsContact CE1-CB 3.49Å; H273-S336 WeakPolarHBondContact CE1-CB 3.45Å; H273-S336 WeakPolarHBondContact ND1-CB 3.23Å; H275-S336 PolarHBondContact O-OG 3.27Å; W276-S336 WeakPolarHBondContact O-CA 3.43Å; W276-S336 WeakPolarHBondContact O-CB 3.46Å; W276-S336 PolarHBondContact O-OG 3.21Å; S336-D338 WeakPolarHBondContact CB-OD1 3.25Å; S336-D338 PolarHBondContact O-N 3.25Å; S336-D338 PolarHBondContact OG-N 2.97Å; S336-K339 PolarHBondContact O-N 3.48Å; S336-S340 PolarHBondContact N-O 2.64Å; S336-V362 PolarHBondContact O-N 2.89Å
337F87.5Confident79.9Confident58 Ų5836.7 Ų36.725%0.25418%0.175SC..THydrogen-bonded Turntrans-68.1-8.5169.3-74.2-0.2000113.7H275 W276 N278 K339 S361 Y363H275-F337 HydrophobicContact CB-CB 4.19Å; H275-F337 AromaticContact CE1-CD2 3.87Å; H275-F337 WeakPolarHBondContact ND1-CB 3.17Å; H275-F337 AromaticContact ND1-CD2 3.81Å; W276-F337 HydrophobicContact CE3-CD2 4.16Å; W276-F337 HydrophobicContact CE3-CE2 4Å; W276-F337 HydrophobicContact CZ3-CE2 4.42Å; W276-F337 PolarHBondContact O-N 3.38Å; N278-F337 VanDerWaalsContact CG-CE1 3.48Å; N278-F337 WeakPolarHBondContact ND2-CD1 3.47Å; N278-F337 WeakPolarHBondContact ND2-CE1 3.23Å; N278-F337 WeakPolarHBondContact OD1-CE1 3.21Å; F337-K339 PolarHBondContact O-N 3.21Å; F337-K339 VanDerWaalsContact O-N 3.1Å; F337-S361 VanDerWaalsContact CD1-CB 3.48Å; F337-S361 PolarHBondContact O-OG 2.9Å; F337-Y363 AromaticContact CE1-CD1 3.73Å; F337-Y363 HydrophobicContact CE1-CD1 3.73Å; F337-Y363 AromaticContact CE1-CE1 3.57Å; F337-Y363 HydrophobicContact CE1-CE1 3.57Å; F337-Y363 HydrophobicContact CZ-CD1 4.37Å; F337-Y363 AromaticContact CZ-CE1 3.94Å; F337-Y363 HydrophobicContact CZ-CE1 3.94Å
338D87Confident80.8Confident45 Ų4537.8 Ų37.824%0.24118%0.178CC..THydrogen-bonded Turntrans-72.79.7169.470.814.7000113.7H273 A274 H275 S336 S340H273-D338 IonicContact CE1-OD2 2.85Å; H273-D338 IonicContact CG-OD2 3.63Å; H273-D338 IonicContact ND1-OD1 3.14Å; H273-D338 IonicContact ND1-OD2 3.68Å; H273-D338 PolarHBondContact ND1-OD2 3.12Å; A274-D338 HydrophobicContact CB-CB 4.29Å; A274-D338 PolarHBondContact N-OD2 2.89Å; H275-D338 HydrophobicContact CB-CB 4.21Å; S336-D338 WeakPolarHBondContact CB-OD1 3.25Å; S336-D338 PolarHBondContact O-N 3.25Å; S336-D338 PolarHBondContact OG-N 2.97Å; D338-S340 VanDerWaalsContact CG-OG 3.27Å; D338-S340 PolarHBondContact O-N 3.41Å; D338-S340 WeakPolarHBondContact OD1-CA 3.33Å; D338-S340 WeakPolarHBondContact OD1-CB 3.47Å; D338-S340 PolarHBondContact OD1-N 2.76Å; D338-S340 PolarHBondContact OD1-OG 2.87Å; D338-S340 PolarHBondContact OD2-OG 2.8Å
339K92.3Very high81.9Confident105 Ų10536.8 Ų36.846%0.45717%0.174SC..SBendtrans68.19.5177.7-42.4173.6174.5-163.10113.6S336 F337 V359 G360S336-K339 PolarHBondContact O-N 3.48Å; F337-K339 PolarHBondContact O-N 3.21Å; F337-K339 VanDerWaalsContact O-N 3.1Å; K339-V359 WeakPolarHBondContact CD-O 3.49Å; K339-V359 WeakPolarHBondContact CE-O 3.2Å; K339-V359 PolarHBondContact NZ-O 2.89Å; K339-G360 WeakPolarHBondContact CA-O 3.39Å; K339-G360 WeakPolarHBondContact CB-O 3.5Å; K339-G360 WeakPolarHBondContact CG-O 3.43Å
340S90.1Very high82.7Confident8 Ų843.6 Ų43.66%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-115.2153.9179.679.60000111.6S336 D338S336-S340 PolarHBondContact N-O 2.64Å; D338-S340 VanDerWaalsContact CG-OG 3.27Å; D338-S340 PolarHBondContact O-N 3.41Å; D338-S340 WeakPolarHBondContact OD1-CA 3.33Å; D338-S340 WeakPolarHBondContact OD1-CB 3.47Å; D338-S340 PolarHBondContact OD1-N 2.76Å; D338-S340 PolarHBondContact OD1-OG 2.87Å; D338-S340 PolarHBondContact OD2-OG 2.8Å
341I94Very high83.5Confident1 Ų139.5 Ų39.51%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-113.6129.4166.8-56.3153.5000106.3A333 S334 I343 S354 L355 V362 V365 L374 S376 W386A333-I341 HydrophobicContact CB-CG2 4.48Å; S334-I341 CarbonylContact O-C 3.54Å; S334-I341 VanDerWaalsContact O-CA 3.29Å; S334-I341 WeakPolarHBondContact O-CA 3.32Å; I341-I343 HydrophobicContact CG2-CD1 4.38Å; I341-S354 CarbonylContact O-C 3.51Å; I341-S354 WeakPolarHBondContact O-CA 3.48Å; I341-L355 HydrophobicContact CB-CB 4.15Å; I341-L355 HydrophobicContact CB-CD1 4.22Å; I341-L355 HydrophobicContact CG2-CD1 4.11Å; I341-L355 PolarHBondContact N-O 2.76Å; I341-L355 VanDerWaalsContact N-O 3.13Å; I341-L355 PolarHBondContact O-N 2.9Å; I341-V362 HydrophobicContact CD1-CG1 4.15Å; I341-V362 HydrophobicContact CG1-CB 4.44Å; I341-V362 HydrophobicContact CG1-CG1 3.97Å; I341-V362 HydrophobicContact CG1-CG2 4.23Å; I341-V365 HydrophobicContact CD1-CG1 3.81Å; I341-V365 HydrophobicContact CG1-CG1 3.96Å; I341-V365 HydrophobicContact CG2-CG1 4.12Å; I341-L374 HydrophobicContact CG2-CD2 3.81Å; I341-S376 VanDerWaalsContact CD1-CB 3.4Å; I341-W386 HydrophobicContact CD1-CZ2 4.35Å
342K91.1Very high83.7Confident23 Ų2342.1 Ų42.110%0.120%0.203CC..EExtended strand (participates in β ladder)trans-107.3139.2177.4-68.5-178.9-179.2-73.40110G272 A333 S334 W344 Y351 S354G272-K342 VanDerWaalsContact O-CE 3.22Å; G272-K342 WeakPolarHBondContact O-CE 3.38Å; A333-K342 WeakPolarHBondContact CA-O 3.24Å; S334-K342 PolarHBondContact N-O 2.88Å; S334-K342 PolarHBondContact O-N 3.07Å; S334-K342 PolarHBondContact OG-O 2.79Å; K342-W344 HydrophobicContact CB-CZ2 3.78Å; K342-W344 HydrophobicContact CD-CH2 4.18Å; K342-W344 HydrophobicContact CD-CZ2 3.69Å; K342-W344 HydrophobicContact CG-CZ2 4.39Å; K342-W344 PolarHBondContact O-NE1 3.29Å; K342-Y351 HydrophobicContact CB-CE2 4.35Å; K342-Y351 HydrophobicContact CD-CD2 4.42Å; K342-Y351 HydrophobicContact CD-CE2 4.22Å; K342-Y351 HydrophobicContact CG-CE2 4.11Å; K342-S354 PolarHBondContact NZ-OG 2.89Å; K342-S354 VanDerWaalsContact NZ-OG 3.08Å
343I89.6Confident83.9Confident2 Ų243.9 Ų43.91%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-107.5131.7174.6-51.8-57.9000108.2L331 L332 A333 I341 L352 M353 L355 W367 L374 I388L331-I343 HydrophobicContact CB-CG2 4.33Å; L331-I343 HydrophobicContact CD2-CG2 3.94Å; L332-I343 WeakPolarHBondContact O-CA 3.18Å; A333-I343 HydrophobicContact CB-CD1 3.69Å; I341-I343 HydrophobicContact CG2-CD1 4.38Å; I343-L352 HydrophobicContact CG2-CD1 4.28Å; I343-L352 WeakPolarHBondContact O-CB 3.43Å; I343-L352 PolarHBondContact O-N 2.72Å; I343-M353 HydrophobicContact CB-CG 3.88Å; I343-M353 HydrophobicContact CG1-CG 4.04Å; I343-M353 PolarHBondContact N-O 3Å; I343-M353 PolarHBondContact O-N 2.71Å; I343-L355 HydrophobicContact CD1-CD1 4.12Å; I343-L355 HydrophobicContact CG1-CD1 4.29Å; I343-L355 HydrophobicContact CG1-CG 4.44Å; I343-W367 HydrophobicContact CD1-CH2 4.47Å; I343-W367 HydrophobicContact CD1-CZ2 4.38Å; I343-L374 HydrophobicContact CD1-CD2 4.35Å; I343-I388 HydrophobicContact CD1-CD1 3.93Å; I343-I388 HydrophobicContact CG1-CD1 4.21Å
344W84.1Confident84Confident10 Ų1045 Ų454%0.03822%0.219CC..EExtended strand (participates in β ladder)trans-124.7148.5-178.1-41.678.3000109.2L270 L331 L332 S334 K342 G346 K350 Y351L270-W344 HydrophobicContact CB-CE3 4.44Å; L270-W344 HydrophobicContact CB-CZ3 4.35Å; L270-W344 HydrophobicContact CD1-CD2 4.39Å; L270-W344 HydrophobicContact CD1-CG 4.38Å; L270-W344 HydrophobicContact CD2-CE3 4.39Å; L331-W344 WeakPolarHBondContact CA-O 3.5Å; L332-W344 HydrophobicContact CB-CB 4.26Å; L332-W344 PolarHBondContact N-O 3.32Å; L332-W344 PolarHBondContact O-N 2.8Å; S334-W344 PolarHBondContact OG-NE1 3.19Å; K342-W344 HydrophobicContact CB-CZ2 3.78Å; K342-W344 HydrophobicContact CD-CH2 4.18Å; K342-W344 HydrophobicContact CD-CZ2 3.69Å; K342-W344 HydrophobicContact CG-CZ2 4.39Å; K342-W344 PolarHBondContact O-NE1 3.29Å; W344-G346 PolarHBondContact O-N 3.02Å; W344-K350 CarbonylContact C-O 3.58Å; W344-K350 WeakPolarHBondContact CA-O 3.48Å; W344-Y351 HydrophobicContact CZ3-CD2 4.46Å
345D75.5Confident84.3Confident35 Ų3545 Ų4519%0.18722%0.219CC..EExtended strand (participates in β ladder)trans-70.5118.6166.2178.6-77.1000108.2R347 T348 G349 K350 L352D345-R347 PolarHBondContact O-N 3.33Å; D345-R347 WeakPolarHBondContact OD1-CA 3.42Å; D345-R347 WeakPolarHBondContact OD1-CB 3.41Å; D345-R347 PolarHBondContact OD1-N 2.86Å; D345-R347 VanDerWaalsContact OD1-N 3.08Å; D345-T348 VanDerWaalsContact CB-OG1 3.32Å; D345-T348 WeakPolarHBondContact CB-OG1 3.45Å; D345-T348 WeakPolarHBondContact OD1-CB 3.32Å; D345-T348 PolarHBondContact OD1-N 3.1Å; D345-T348 PolarHBondContact OD1-OG1 3.14Å; D345-G349 WeakPolarHBondContact O-CA 3.35Å; D345-G349 PolarHBondContact O-N 3.22Å; D345-K350 HydrophobicContact CB-CB 4.37Å; D345-K350 PolarHBondContact N-O 2.8Å; D345-L352 HydrophobicContact CB-CD1 4.06Å; D345-L352 HydrophobicContact CB-CD2 4.15Å; D345-L352 HydrophobicContact CB-CG 4.12Å
346G69.8Low84.3Confident26 Ų2654.3 Ų54.327%0.26825%0.254SS..THydrogen-bonded Turntrans-66.6-23-17400000113.8E329 R330 W344E329-G346 VanDerWaalsContact O-CA 3.29Å; E329-G346 WeakPolarHBondContact O-CA 3.49Å; R330-G346 PolarHBondContact O-N 2.82Å; W344-G346 PolarHBondContact O-N 3.02Å
347R68.9Low84.5Confident152 Ų15256.2 Ų56.257%0.57427%0.274SS*.THydrogen-bonded Turntrans-80.4-53179.1-176.4170.941.2149.8-3.4112.5P328 D345P328-R347 HydrophobicContact CG-CB 3.77Å; P328-R347 VanDerWaalsContact CG-CD 3.46Å; P328-R347 HydrophobicContact CG-CG 3.63Å; D345-R347 PolarHBondContact O-N 3.33Å; D345-R347 WeakPolarHBondContact OD1-CA 3.42Å; D345-R347 WeakPolarHBondContact OD1-CB 3.41Å; D345-R347 PolarHBondContact OD1-N 2.86Å; D345-R347 VanDerWaalsContact OD1-N 3.08Å
348T68Low84.9Confident61 Ų6154 Ų5437%0.37427%0.265SS..THydrogen-bonded Turntrans-90.4-22.6-171.260.50000111.2R268 D345 K350R268-T348 PolarHBondContact NH1-O 2.95Å; D345-T348 VanDerWaalsContact CB-OG1 3.32Å; D345-T348 WeakPolarHBondContact CB-OG1 3.45Å; D345-T348 WeakPolarHBondContact OD1-CB 3.32Å; D345-T348 PolarHBondContact OD1-N 3.1Å; D345-T348 PolarHBondContact OD1-OG1 3.14Å; T348-K350 PolarHBondContact O-N 2.84Å; T348-K350 WeakPolarHBondContact OG1-CB 3.36Å; T348-K350 PolarHBondContact OG1-N 2.82Å; T348-K350 VanDerWaalsContact OG1-N 3.13Å
349G72.4Confident85.2Confident18 Ų1857.2 Ų57.219%0.18629%0.285CS..  trans71.111.4-167.500000112.5L270 D345 Y351L270-G349 VanDerWaalsContact CD2-CA 3.4Å; L270-G349 VanDerWaalsContact CD2-O 3.3Å; L270-G349 WeakPolarHBondContact CD2-O 3.16Å; D345-G349 WeakPolarHBondContact O-CA 3.35Å; D345-G349 PolarHBondContact O-N 3.22Å; G349-Y351 PolarHBondContact O-N 3.09Å
350K77.4Confident85.3Confident150 Ų15052.7 Ų52.765%0.65227%0.269SS*.  trans-70.5132.6-179.3-168.3179.6178.4-177.20109W344 D345 T348 L352W344-K350 CarbonylContact C-O 3.58Å; W344-K350 WeakPolarHBondContact CA-O 3.48Å; D345-K350 HydrophobicContact CB-CB 4.37Å; D345-K350 PolarHBondContact N-O 2.8Å; T348-K350 PolarHBondContact O-N 2.84Å; T348-K350 WeakPolarHBondContact OG1-CB 3.36Å; T348-K350 PolarHBondContact OG1-N 2.82Å; T348-K350 VanDerWaalsContact OG1-N 3.13Å; K350-L352 PolarHBondContact O-N 3.07Å
351Y84.6Confident85.5Confident103 Ų10353.6 Ų53.640%0.40428%0.275SS..EExtended strand (participates in β ladder)trans-61.8127.4169.3169.2-96.3000109.7K342 W344 G349 M353 S354K342-Y351 HydrophobicContact CB-CE2 4.35Å; K342-Y351 HydrophobicContact CD-CD2 4.42Å; K342-Y351 HydrophobicContact CD-CE2 4.22Å; K342-Y351 HydrophobicContact CG-CE2 4.11Å; W344-Y351 HydrophobicContact CZ3-CD2 4.46Å; G349-Y351 PolarHBondContact O-N 3.09Å; Y351-M353 VanDerWaalsContact CE2-C 3.42Å; Y351-M353 VanDerWaalsContact CE2-O 3.23Å; Y351-M353 WeakPolarHBondContact CE2-O 3.25Å; Y351-M353 VanDerWaalsContact CZ-C 3.41Å; Y351-S354 VanDerWaalsContact CE2-OG 3.32Å; Y351-S354 WeakPolarHBondContact CE2-OG 3.37Å; Y351-S354 WeakPolarHBondContact OH-CB 3.43Å; Y351-S354 PolarHBondContact OH-N 2.87Å; Y351-S354 PolarHBondContact OH-OG 3.18Å
352L83.4Confident85.5Confident79 Ų7953.5 Ų53.541%0.41428%0.275SS..EExtended strand (participates in β ladder)trans-99.7-56.8177.7-64175.8000110.1L331 I343 D345 K350L331-L352 HydrophobicContact CD2-CD1 3.31Å; I343-L352 HydrophobicContact CG2-CD1 4.28Å; I343-L352 WeakPolarHBondContact O-CB 3.43Å; I343-L352 PolarHBondContact O-N 2.72Å; D345-L352 HydrophobicContact CB-CD1 4.06Å; D345-L352 HydrophobicContact CB-CD2 4.15Å; D345-L352 HydrophobicContact CB-CG 4.12Å; K350-L352 PolarHBondContact O-N 3.07Å
353M88.6Confident85.7Confident45 Ų4554.8 Ų54.822%0.22228%0.279CS..EExtended strand (participates in β ladder)trans-161.7168.4-175.165164.1-56.500113.3I343 Y351 L355I343-M353 HydrophobicContact CB-CG 3.88Å; I343-M353 HydrophobicContact CG1-CG 4.04Å; I343-M353 PolarHBondContact N-O 3Å; I343-M353 PolarHBondContact O-N 2.71Å; Y351-M353 VanDerWaalsContact CE2-C 3.42Å; Y351-M353 VanDerWaalsContact CE2-O 3.23Å; Y351-M353 WeakPolarHBondContact CE2-O 3.25Å; Y351-M353 VanDerWaalsContact CZ-C 3.41Å; M353-L355 HydrophobicContact CE-CD2 3.59Å; M353-L355 HydrophobicContact CE-CG 4.42Å; M353-L355 HydrophobicContact SD-CD2 4.44Å
354S91.4Very high85.9Confident22 Ų2255.9 Ų55.915%0.15428%0.284CS..EExtended strand (participates in β ladder)trans-122.4132.2174.5-61.70000109.9I341 K342 Y351I341-S354 CarbonylContact O-C 3.51Å; I341-S354 WeakPolarHBondContact O-CA 3.48Å; K342-S354 PolarHBondContact NZ-OG 2.89Å; K342-S354 VanDerWaalsContact NZ-OG 3.08Å; Y351-S354 VanDerWaalsContact CE2-OG 3.32Å; Y351-S354 WeakPolarHBondContact CE2-OG 3.37Å; Y351-S354 WeakPolarHBondContact OH-CB 3.43Å; Y351-S354 PolarHBondContact OH-N 2.87Å; Y351-S354 PolarHBondContact OH-OG 3.18Å
355L93.7Very high86.4Confident2 Ų255.6 Ų55.61%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-91.2119.9170.4-52.6167.9000107.8I341 I343 M353 L374 W386 I388I341-L355 HydrophobicContact CB-CB 4.15Å; I341-L355 HydrophobicContact CB-CD1 4.22Å; I341-L355 HydrophobicContact CG2-CD1 4.11Å; I341-L355 PolarHBondContact N-O 2.76Å; I341-L355 VanDerWaalsContact N-O 3.13Å; I341-L355 PolarHBondContact O-N 2.9Å; I343-L355 HydrophobicContact CD1-CD1 4.12Å; I343-L355 HydrophobicContact CG1-CD1 4.29Å; I343-L355 HydrophobicContact CG1-CG 4.44Å; M353-L355 HydrophobicContact CE-CD2 3.59Å; M353-L355 HydrophobicContact CE-CG 4.42Å; M353-L355 HydrophobicContact SD-CD2 4.44Å; L355-L374 HydrophobicContact CD1-CD2 3.81Å; L355-W386 HydrophobicContact CB-CD2 3.89Å; L355-W386 HydrophobicContact CB-CE3 3.75Å; L355-W386 HydrophobicContact CB-CG 4.45Å; L355-W386 HydrophobicContact CB-CH2 4.39Å; L355-W386 HydrophobicContact CB-CZ3 4.01Å; L355-W386 HydrophobicContact CD1-CB 3.81Å; L355-W386 HydrophobicContact CD1-CD2 4.06Å; L355-W386 HydrophobicContact CD1-CG 3.72Å; L355-W386 HydrophobicContact CD2-CB 4.17Å; L355-W386 HydrophobicContact CD2-CD2 4.33Å; L355-W386 HydrophobicContact CD2-CE3 4.01Å; L355-W386 HydrophobicContact CD2-CG 4.42Å; L355-W386 HydrophobicContact CG-CD2 4.32Å; L355-W386 HydrophobicContact CG-CE3 4.31Å; L355-W386 HydrophobicContact CG-CG 4.42Å; L355-I388 HydrophobicContact CD1-CD1 3.98Å
356R92.8Very high87.3Confident195 Ų19554.3 Ų54.374%0.73628%0.278SS*.EExtended strand (participates in β ladder)trans-124.4136.8-179.4-64.2-172.7-178.9-163.11.7109.4W386R356-W386 WeakPolarHBondContact O-CZ3 3.42Å
357G92.4Very high88.4Confident40 Ų4053.8 Ų53.841%0.41227%0.268SS..  trans162.5-20178.100000113.8K384G357-K384 WeakPolarHBondContact O-CE 3.5Å
358H95.6Very high89.3Confident13 Ų1346.6 Ų46.66%0.0624%0.241CC..  trans-68.9142.1167.1-81.2-62.4000111.3V362 S376 S378 D380 W386H358-V362 HydrophobicContact CB-CG2 4.03Å; H358-S376 PolarHBondContact CD2-OG 2.84Å; H358-S376 PolarHBondContact NE2-OG 2.8Å; H358-S378 WeakPolarHBondContact CE1-CB 3.5Å; H358-S378 WeakPolarHBondContact ND1-CB 3.45Å; H358-S378 PolarHBondContact ND1-OG 2.95Å; H358-D380 WeakPolarHBondContact CA-OD2 3.46Å; H358-D380 WeakPolarHBondContact CB-OD2 3.05Å; H358-D380 IonicContact CE1-OD1 2.83Å; H358-D380 IonicContact CE1-OD2 2.9Å; H358-D380 IonicContact CG-OD2 3.6Å; H358-D380 IonicContact ND1-OD1 3.76Å; H358-D380 PolarHBondContact ND1-OD1 3.46Å; H358-D380 IonicContact ND1-OD2 3.72Å; H358-D380 PolarHBondContact ND1-OD2 3.2Å; H358-W386 AromaticContact CD2-CZ2 3.95Å
359V94.6Very high90Very high111 Ų11144.1 Ų44.167%0.67323%0.226SC*.SBendtrans-92.7-23.6177.1-177.40000110.5K339 D380K339-V359 WeakPolarHBondContact CD-O 3.49Å; K339-V359 WeakPolarHBondContact CE-O 3.2Å; K339-V359 PolarHBondContact NZ-O 2.89Å; V359-D380 HydrophobicContact CB-CB 4.34Å; V359-D380 PolarHBondContact N-OD2 3.01Å
360G93.5Very high90.2Very high11 Ų1144.5 Ų44.511%0.11322%0.224CC..SBendtrans-108174.1177.500000113.8K339 S378 S379 D380K339-G360 WeakPolarHBondContact CA-O 3.39Å; K339-G360 WeakPolarHBondContact CB-O 3.5Å; K339-G360 WeakPolarHBondContact CG-O 3.43Å; G360-S378 PolarHBondContact O-OG 3.14Å; G360-S379 VanDerWaalsContact CA-OG 3.25Å; G360-S379 WeakPolarHBondContact CA-OG 3.14Å; G360-D380 PolarHBondContact N-OD2 3.11Å
361S93.7Very high90.5Very high26 Ų2638.6 Ų38.618%0.18220%0.202CC..  trans-55.7133169-70.40000111.6F337 S378 S379F337-S361 VanDerWaalsContact CD1-CB 3.48Å; F337-S361 PolarHBondContact O-OG 2.9Å; S361-S378 WeakPolarHBondContact O-CA 3.44Å; S361-S378 PolarHBondContact O-OG 3.35Å; S361-S378 VanDerWaalsContact O-OG 3.11Å; S361-S379 PolarHBondContact N-OG 3.36Å; S361-S379 PolarHBondContact O-N 2.91Å; S361-S379 PolarHBondContact O-OG 2.91Å; S361-S379 VanDerWaalsContact O-OG 3.14Å
362V95.3Very high90.4Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-88.8121.9175.6-170.70000109.1N278 A335 S336 I341 H358 V365 G377N278-V362 PolarHBondContact ND2-O 3.3Å; A335-V362 HydrophobicContact CB-CB 4.14Å; A335-V362 HydrophobicContact CB-CG1 3.74Å; S336-V362 PolarHBondContact O-N 2.89Å; I341-V362 HydrophobicContact CD1-CG1 4.15Å; I341-V362 HydrophobicContact CG1-CB 4.44Å; I341-V362 HydrophobicContact CG1-CG1 3.97Å; I341-V362 HydrophobicContact CG1-CG2 4.23Å; H358-V362 HydrophobicContact CB-CG2 4.03Å; V362-V365 HydrophobicContact CG1-CG1 4.31Å; V362-G377 WeakPolarHBondContact CG1-O 3.47Å
363Y94.1Very high90.7Very high49 Ų4934 Ų3419%0.19218%0.179CC..EExtended strand (participates in β ladder)trans-88.7-51.3-176.3-70.5-61.3000112.1N278 T279 F337 G377 E403 V404 Y405N278-Y363 WeakPolarHBondContact CB-O 3.5Å; T279-Y363 PolarHBondContact OG1-O 3.19Å; F337-Y363 AromaticContact CE1-CD1 3.73Å; F337-Y363 HydrophobicContact CE1-CD1 3.73Å; F337-Y363 AromaticContact CE1-CE1 3.57Å; F337-Y363 HydrophobicContact CE1-CE1 3.57Å; F337-Y363 HydrophobicContact CZ-CD1 4.37Å; F337-Y363 AromaticContact CZ-CE1 3.94Å; F337-Y363 HydrophobicContact CZ-CE1 3.94Å; Y363-G377 PolarHBondContact N-O 2.73Å; Y363-E403 HydrophobicContact CE2-CB 4.23Å; Y363-E403 PolarHBondContact OH-OE2 2.9Å; Y363-V404 VanDerWaalsContact CD2-O 3.28Å; Y363-V404 WeakPolarHBondContact CD2-O 3.48Å; Y363-Y405 HydrophobicContact CD1-CD1 4.39Å; Y363-Y405 AromaticContact CD2-CD1 3.75Å; Y363-Y405 HydrophobicContact CD2-CD1 3.75Å; Y363-Y405 HydrophobicContact CD2-CE1 4.23Å; Y363-Y405 HydrophobicContact CE1-CD1 4.39Å; Y363-Y405 HydrophobicContact CE1-CE1 4.4Å; Y363-Y405 AromaticContact CE2-CD1 3.7Å; Y363-Y405 HydrophobicContact CE2-CD1 3.7Å; Y363-Y405 AromaticContact CE2-CE1 3.68Å; Y363-Y405 HydrophobicContact CE2-CE1 3.68Å; Y363-Y405 HydrophobicContact CG-CD1 4.1Å; Y363-Y405 AromaticContact CZ-CE1 3.81Å
364Q94.5Very high91Very high25 Ų2531.9 Ų31.912%0.11717%0.168CC..EExtended strand (participates in β ladder)trans-140.8150.7-175.1-173172.1-0.300111.4W197 T279 S376 G377 V407W197-Q364 HydrophobicContact CH2-CG 4.31Å; T279-Q364 HydrophobicContact CG2-CG 4.25Å; Q364-S376 WeakPolarHBondContact O-CA 3.47Å; Q364-G377 PolarHBondContact O-N 3.48Å; Q364-V407 HydrophobicContact CB-CG2 4.04Å; Q364-V407 VanDerWaalsContact CD-O 3.31Å; Q364-V407 HydrophobicContact CG-CG2 4Å; Q364-V407 PolarHBondContact NE2-O 3.21Å; Q364-V407 WeakPolarHBondContact O-CG2 2.93Å
365V95.3Very high91.2Very high4 Ų430.8 Ų30.82%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-129.9148.7172.5-730000110.5T279 A281 A333 A335 I341 V362 L374 V375T279-V365 HydrophobicContact CG2-CG2 3.67Å; A281-V365 HydrophobicContact CB-CG2 4Å; A333-V365 HydrophobicContact CB-CG2 4.37Å; A335-V365 HydrophobicContact CB-CG1 3.85Å; A335-V365 HydrophobicContact CB-CG2 4.09Å; I341-V365 HydrophobicContact CD1-CG1 3.81Å; I341-V365 HydrophobicContact CG1-CG1 3.96Å; I341-V365 HydrophobicContact CG2-CG1 4.12Å; V362-V365 HydrophobicContact CG1-CG1 4.31Å; V365-L374 HydrophobicContact CB-CD1 4.28Å; V365-L374 HydrophobicContact CB-CD2 4.27Å; V365-L374 HydrophobicContact CB-CG 4.35Å; V365-L374 HydrophobicContact CG1-CD2 4.1Å; V365-V375 CarbonylContact C-O 3.55Å; V365-V375 VanDerWaalsContact CA-O 3.23Å; V365-V375 WeakPolarHBondContact CA-O 3.48Å
366A93.9Very high91.4Very high8 Ų830.7 Ų30.77%0.06616%0.16CC..EExtended strand (participates in β ladder)trans-141139.4174.300000110.9L374 V375A366-L374 WeakPolarHBondContact O-CD1 3.5Å; A366-V375 HydrophobicContact CB-CG1 3.91Å; A366-V375 PolarHBondContact N-O 3.24Å; A366-V375 PolarHBondContact O-N 2.48Å
367W91.4Very high91.5Very high16 Ų1621.4 Ų21.46%0.06113%0.125CC..EExtended strand (participates in β ladder)trans-82.1147.1177.1-73.6100.5000111.5A281 L282 L331 A333 I343 S371 L374 I388 W409A281-W367 PolarHBondContact O-NE1 3.27Å; L282-W367 VanDerWaalsContact C-CD1 3.49Å; L331-W367 HydrophobicContact CB-CH2 3.83Å; L331-W367 HydrophobicContact CB-CZ2 3.87Å; L331-W367 HydrophobicContact CD1-CH2 3.77Å; L331-W367 HydrophobicContact CD1-CZ3 4.3Å; L331-W367 HydrophobicContact CG-CH2 4.45Å; A333-W367 HydrophobicContact CB-CZ2 3.78Å; I343-W367 HydrophobicContact CD1-CH2 4.47Å; I343-W367 HydrophobicContact CD1-CZ2 4.38Å; W367-S371 WeakPolarHBondContact CZ3-O 3.41Å; W367-L374 HydrophobicContact CD2-CD1 3.58Å; W367-L374 HydrophobicContact CE3-CD1 4.08Å; W367-L374 HydrophobicContact CG-CD1 3.81Å; W367-L374 HydrophobicContact CZ2-CD1 4.22Å; W367-I388 HydrophobicContact CE3-CG1 4.46Å; W367-I388 HydrophobicContact CH2-CD1 3.93Å; W367-I388 HydrophobicContact CH2-CG1 3.93Å; W367-I388 HydrophobicContact CH2-CG2 3.95Å; W367-I388 HydrophobicContact CZ3-CB 4.18Å; W367-I388 HydrophobicContact CZ3-CD1 4.04Å; W367-I388 HydrophobicContact CZ3-CG1 3.56Å; W367-I388 HydrophobicContact CZ3-CG2 4Å; W367-W409 WeakPolarHBondContact O-CB 3.41Å
368S89.6Confident91.8Very high0 Ų019.5 Ų19.50%011%0.106CC..  trans-67.5154.316162.50000110.8D370 S371 R372 L373S368-D370 WeakPolarHBondContact CB-OD1 3.19Å; S368-D370 PolarHBondContact O-N 2.67Å; S368-D370 VanDerWaalsContact O-N 3.13Å; S368-D370 PolarHBondContact OG-OD1 2.8Å; S368-S371 PolarHBondContact O-N 2.89Å; S368-R372 PolarHBondContact OG-N 2.95Å; S368-L373 PolarHBondContact N-O 2.77Å; S368-L373 PolarHBondContact OG-N 3.38Å; S368-L373 PolarHBondContact OG-O 2.87Å; S368-L373 VanDerWaalsContact OG-O 3.09Å
369A82.6Confident91.8Very high9 Ų920.4 Ų20.47%0.07411%0.113CC..THydrogen-bonded Turntrans-58.2-25.8-18000000114.5F91 V93 Y286 P411F91-A369 HydrophobicContact CE1-CB 3.74Å; F91-A369 HydrophobicContact CZ-CB 4.41Å; V93-A369 HydrophobicContact CG2-CB 4.12Å; Y286-A369 HydrophobicContact CD1-CB 3.65Å; Y286-A369 WeakPolarHBondContact CD1-O 3.36Å; Y286-A369 HydrophobicContact CD2-CB 3.55Å; Y286-A369 HydrophobicContact CE1-CB 3.57Å; Y286-A369 HydrophobicContact CE2-CB 3.49Å; Y286-A369 VanDerWaalsContact CE2-CB 3.49Å; Y286-A369 VanDerWaalsContact CG-CA 3.49Å; Y286-A369 HydrophobicContact CG-CB 3.63Å; Y286-A369 VanDerWaalsContact CZ-CB 3.47Å; A369-P411 WeakPolarHBondContact CB-O 3Å
370D76.4Confident91.8Very high26 Ų2616.7 Ų16.714%0.1399%0.09CC..THydrogen-bonded Turntrans-92.84.417667.9-5.9000114.1V93 S368 R372V93-D370 HydrophobicContact CG2-CB 4.06Å; V93-D370 PolarHBondContact N-OD2 3.32Å; S368-D370 WeakPolarHBondContact CB-OD1 3.19Å; S368-D370 PolarHBondContact O-N 2.67Å; S368-D370 VanDerWaalsContact O-N 3.13Å; S368-D370 PolarHBondContact OG-OD1 2.8Å; D370-R372 HydrophobicContact CB-CG 4.34Å; D370-R372 PolarHBondContact O-N 2.92Å; D370-R372 VanDerWaalsContact O-N 3.13Å; D370-R372 PolarHBondContact OD1-N 3.23Å; D370-R372 VanDerWaalsContact OD1-N 3.12Å; D370-R372 WeakPolarHBondContact OD2-CD 3.36Å
371S82.4Confident91.9Very high26 Ų2618 Ų1818%0.18210%0.097CC..SBendtrans58.217.7-177.1-56.50000115.4S283 W367 S368S283-S371 PolarHBondContact O-OG 3.39Å; S283-S371 VanDerWaalsContact O-OG 3.09Å; W367-S371 WeakPolarHBondContact CZ3-O 3.41Å; S368-S371 PolarHBondContact O-N 2.89Å
372R82.5Confident92Very high78 Ų7817.8 Ų17.829%0.29410%0.095SC..SBendtrans-93.7-32-179.4-63.8-176179.8-174.3-6.1113.1S368 D370 I388S368-R372 PolarHBondContact OG-N 2.95Å; D370-R372 HydrophobicContact CB-CG 4.34Å; D370-R372 PolarHBondContact O-N 2.92Å; D370-R372 VanDerWaalsContact O-N 3.13Å; D370-R372 PolarHBondContact OD1-N 3.23Å; D370-R372 VanDerWaalsContact OD1-N 3.12Å; D370-R372 WeakPolarHBondContact OD2-CD 3.36Å; R372-I388 WeakPolarHBondContact O-CB 3.2Å; R372-I388 PolarHBondContact O-N 2.9Å
373L90.7Very high92.1Very high8 Ų817.8 Ų17.84%0.04210%0.095CC..EExtended strand (participates in β ladder)trans-115.4150.5-177.9-56.9175.9000110V93 A95 S368 V385 W386 D387 W409V93-L373 HydrophobicContact CG1-CD1 4.49Å; A95-L373 HydrophobicContact CB-CD1 3.97Å; S368-L373 PolarHBondContact N-O 2.77Å; S368-L373 PolarHBondContact OG-N 3.38Å; S368-L373 PolarHBondContact OG-O 2.87Å; S368-L373 VanDerWaalsContact OG-O 3.09Å; L373-V385 HydrophobicContact CB-CG1 4.17Å; L373-V385 HydrophobicContact CD1-CG1 4.32Å; L373-V385 HydrophobicContact CD2-CG1 4.39Å; L373-W386 VanDerWaalsContact CA-O 3.28Å; L373-W386 WeakPolarHBondContact CA-O 3.29Å; L373-D387 HydrophobicContact CD2-CB 4.33Å; L373-W409 HydrophobicContact CB-CH2 3.75Å; L373-W409 HydrophobicContact CB-CZ3 3.96Å; L373-W409 HydrophobicContact CD1-CH2 3.84Å; L373-W409 HydrophobicContact CD1-CZ2 4.23Å; L373-W409 HydrophobicContact CG-CH2 4.47Å
374L94.1Very high92.3Very high0 Ų016 Ų160%09%0.088CC..EExtended strand (participates in β ladder)trans-127.1134.7171.5-170.882.4000108A333 I341 I343 L355 V365 A366 W367 V385 W386 I388A333-L374 HydrophobicContact CB-CD1 3.99Å; A333-L374 HydrophobicContact CB-CD2 4.11Å; I341-L374 HydrophobicContact CG2-CD2 3.81Å; I343-L374 HydrophobicContact CD1-CD2 4.35Å; L355-L374 HydrophobicContact CD1-CD2 3.81Å; V365-L374 HydrophobicContact CB-CD1 4.28Å; V365-L374 HydrophobicContact CB-CD2 4.27Å; V365-L374 HydrophobicContact CB-CG 4.35Å; V365-L374 HydrophobicContact CG1-CD2 4.1Å; A366-L374 WeakPolarHBondContact O-CD1 3.5Å; W367-L374 HydrophobicContact CD2-CD1 3.58Å; W367-L374 HydrophobicContact CE3-CD1 4.08Å; W367-L374 HydrophobicContact CG-CD1 3.81Å; W367-L374 HydrophobicContact CZ2-CD1 4.22Å; L374-V385 CarbonylContact O-C 3.53Å; L374-V385 WeakPolarHBondContact O-CA 3.07Å; L374-W386 HydrophobicContact CB-CB 4.38Å; L374-W386 PolarHBondContact N-O 3.12Å; L374-W386 VanDerWaalsContact O-CD1 3.32Å; L374-W386 PolarHBondContact O-N 3.27Å; L374-I388 HydrophobicContact CB-CD1 3.85Å; L374-I388 HydrophobicContact CB-CG1 4.13Å; L374-I388 HydrophobicContact CD2-CD1 4.43Å
375V96.4Very high92.4Very high0 Ų014.9 Ų14.90%08%0.083CC..EExtended strand (participates in β ladder)trans-104.7142.7168.368.50000110V365 A366 L383 K384 V385 V407 W409 V416V365-V375 CarbonylContact C-O 3.55Å; V365-V375 VanDerWaalsContact CA-O 3.23Å; V365-V375 WeakPolarHBondContact CA-O 3.48Å; A366-V375 HydrophobicContact CB-CG1 3.91Å; A366-V375 PolarHBondContact N-O 3.24Å; A366-V375 PolarHBondContact O-N 2.48Å; V375-L383 HydrophobicContact CG2-CB 4.46Å; V375-L383 HydrophobicContact CG2-CD2 3.98Å; V375-K384 CarbonylContact C-O 3.6Å; V375-K384 WeakPolarHBondContact CA-O 3.49Å; V375-V385 HydrophobicContact CG2-CG2 4.24Å; V375-V407 HydrophobicContact CG1-CB 4.46Å; V375-V407 HydrophobicContact CG1-CG2 4.31Å; V375-W409 HydrophobicContact CB-CE3 3.78Å; V375-W409 HydrophobicContact CB-CZ3 3.74Å; V375-W409 HydrophobicContact CG1-CE3 3.66Å; V375-W409 HydrophobicContact CG1-CZ3 4.18Å; V375-V416 HydrophobicContact CG1-CG1 4.25Å; V375-V416 HydrophobicContact CG1-CG2 4.43Å; V375-V416 HydrophobicContact CG2-CG1 4.11Å
376S96.8Very high92.4Very high0 Ų014.8 Ų14.80%08%0.082CC..EExtended strand (participates in β ladder)trans-129.5142.1175.657.30000111.8I341 H358 Q364 L383 K384 W386I341-S376 VanDerWaalsContact CD1-CB 3.4Å; H358-S376 PolarHBondContact CD2-OG 2.84Å; H358-S376 PolarHBondContact NE2-OG 2.8Å; Q364-S376 WeakPolarHBondContact O-CA 3.47Å; S376-L383 VanDerWaalsContact O-CA 3.22Å; S376-L383 WeakPolarHBondContact O-CA 3.22Å; S376-K384 PolarHBondContact N-O 2.98Å; S376-K384 PolarHBondContact O-N 2.82Å; S376-K384 PolarHBondContact OG-O 2.89Å; S376-W386 PolarHBondContact OG-NE1 3.38Å
377G96.6Very high92.2Very high0 Ų016.4 Ų16.40%09%0.089CC..EExtended strand (participates in β ladder)trans-112140.9170.500000111.2V362 Y363 Q364V362-G377 WeakPolarHBondContact CG1-O 3.47Å; Y363-G377 PolarHBondContact N-O 2.73Å; Q364-G377 PolarHBondContact O-N 3.48Å
378S96.9Very high91.9Very high0 Ų016.5 Ų16.50%09%0.091CC..EExtended strand (participates in β ladder)trans-137161.6-169.9174.50000112.7H358 G360 S361 D380 S381 T382 V404H358-S378 WeakPolarHBondContact CE1-CB 3.5Å; H358-S378 WeakPolarHBondContact ND1-CB 3.45Å; H358-S378 PolarHBondContact ND1-OG 2.95Å; G360-S378 PolarHBondContact O-OG 3.14Å; S361-S378 WeakPolarHBondContact O-CA 3.44Å; S361-S378 PolarHBondContact O-OG 3.35Å; S361-S378 VanDerWaalsContact O-OG 3.11Å; S378-D380 VanDerWaalsContact CB-OD1 3.26Å; S378-D380 WeakPolarHBondContact CB-OD1 3.2Å; S378-D380 PolarHBondContact O-N 3.48Å; S378-D380 PolarHBondContact OG-N 3.27Å; S378-D380 PolarHBondContact OG-OD1 3.4Å; S378-D380 PolarHBondContact OG-OD2 3.16Å; S378-D380 VanDerWaalsContact OG-OD2 3.06Å; S378-S381 PolarHBondContact O-N 3.18Å; S378-T382 PolarHBondContact N-O 2.69Å; S378-V404 PolarHBondContact O-N 2.97Å
379S96.1Very high91.5Very high31 Ų3123.2 Ų23.222%0.21712%0.12CC..THydrogen-bonded Turntrans-63.8-15.9168.652.30000114G360 S361 S381G360-S379 VanDerWaalsContact CA-OG 3.25Å; G360-S379 WeakPolarHBondContact CA-OG 3.14Å; S361-S379 PolarHBondContact N-OG 3.36Å; S361-S379 PolarHBondContact O-N 2.91Å; S361-S379 PolarHBondContact O-OG 2.91Å; S361-S379 VanDerWaalsContact O-OG 3.14Å; S379-S381 PolarHBondContact O-N 3.24Å; S379-S381 VanDerWaalsContact O-N 3.14Å
380D95.4Very high91.4Very high33 Ų3326.7 Ų26.718%0.17614%0.14CC..THydrogen-bonded Turntrans-77.11417561.528000114.1H358 V359 G360 S378 T382H358-D380 WeakPolarHBondContact CA-OD2 3.46Å; H358-D380 WeakPolarHBondContact CB-OD2 3.05Å; H358-D380 IonicContact CE1-OD1 2.83Å; H358-D380 IonicContact CE1-OD2 2.9Å; H358-D380 IonicContact CG-OD2 3.6Å; H358-D380 IonicContact ND1-OD1 3.76Å; H358-D380 PolarHBondContact ND1-OD1 3.46Å; H358-D380 IonicContact ND1-OD2 3.72Å; H358-D380 PolarHBondContact ND1-OD2 3.2Å; V359-D380 HydrophobicContact CB-CB 4.34Å; V359-D380 PolarHBondContact N-OD2 3.01Å; G360-D380 PolarHBondContact N-OD2 3.11Å; S378-D380 VanDerWaalsContact CB-OD1 3.26Å; S378-D380 WeakPolarHBondContact CB-OD1 3.2Å; S378-D380 PolarHBondContact O-N 3.48Å; S378-D380 PolarHBondContact OG-N 3.27Å; S378-D380 PolarHBondContact OG-OD1 3.4Å; S378-D380 PolarHBondContact OG-OD2 3.16Å; S378-D380 VanDerWaalsContact OG-OD2 3.06Å; D380-T382 PolarHBondContact O-N 3.02Å; D380-T382 VanDerWaalsContact O-N 3.14Å; D380-T382 WeakPolarHBondContact OD1-CB 3.05Å; D380-T382 PolarHBondContact OD1-N 3.17Å; D380-T382 PolarHBondContact OD1-OG1 3.32Å
381S95.6Very high91.8Very high40 Ų4026.1 Ų26.128%0.2814%0.141SC..SBendtrans63.86.9-178.671.30000115.6S378 S379 D402S378-S381 PolarHBondContact O-N 3.18Å; S379-S381 PolarHBondContact O-N 3.24Å; S379-S381 VanDerWaalsContact O-N 3.14Å; S381-D402 WeakPolarHBondContact CA-O 3.32Å; S381-D402 VanDerWaalsContact CB-O 3.3Å; S381-D402 WeakPolarHBondContact CB-O 3.46Å
382T96.1Very high92.1Very high20 Ų2032 Ų3212%0.12316%0.163CC..EExtended strand (participates in β ladder)trans-107.5152.7179.770.80000112.2S378 D380S378-T382 PolarHBondContact N-O 2.69Å; D380-T382 PolarHBondContact O-N 3.02Å; D380-T382 VanDerWaalsContact O-N 3.14Å; D380-T382 WeakPolarHBondContact OD1-CB 3.05Å; D380-T382 PolarHBondContact OD1-N 3.17Å; D380-T382 PolarHBondContact OD1-OG1 3.32Å
383L97.3Very high92.7Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-100.9146.4158.6-74.385.6000109.3V375 S376 L397 V404 V407 V416 W428V375-L383 HydrophobicContact CG2-CB 4.46Å; V375-L383 HydrophobicContact CG2-CD2 3.98Å; S376-L383 VanDerWaalsContact O-CA 3.22Å; S376-L383 WeakPolarHBondContact O-CA 3.22Å; L383-L397 HydrophobicContact CB-CB 3.84Å; L383-L397 HydrophobicContact CB-CD1 4.24Å; L383-L397 PolarHBondContact N-O 2.86Å; L383-L397 WeakPolarHBondContact O-CA 3.22Å; L383-L397 WeakPolarHBondContact O-CB 3.47Å; L383-L397 PolarHBondContact O-N 2.88Å; L383-V404 HydrophobicContact CD1-CG1 3.98Å; L383-V404 HydrophobicContact CD1-CG2 4.02Å; L383-V404 HydrophobicContact CG-CG1 4.38Å; L383-V407 HydrophobicContact CD2-CB 4.48Å; L383-V407 HydrophobicContact CD2-CG1 3.66Å; L383-V407 HydrophobicContact CG-CG1 4.08Å; L383-V416 HydrophobicContact CD2-CG1 4.06Å; L383-W428 HydrophobicContact CD1-CZ2 3.75Å
384K97.1Very high92.8Very high13 Ų1334.5 Ų34.56%0.05718%0.182CC..EExtended strand (participates in β ladder)trans-128.3133.8173.8-71-175.8-169.7-60.30110.3G357 V375 S376 W386 L393 D396G357-K384 WeakPolarHBondContact O-CE 3.5Å; V375-K384 CarbonylContact C-O 3.6Å; V375-K384 WeakPolarHBondContact CA-O 3.49Å; S376-K384 PolarHBondContact N-O 2.98Å; S376-K384 PolarHBondContact O-N 2.82Å; S376-K384 PolarHBondContact OG-O 2.89Å; K384-W386 HydrophobicContact CB-CZ2 3.68Å; K384-W386 HydrophobicContact CD-CH2 4.03Å; K384-W386 HydrophobicContact CD-CZ2 3.76Å; K384-W386 HydrophobicContact CG-CZ2 4.34Å; K384-W386 PolarHBondContact O-NE1 3.3Å; K384-L393 HydrophobicContact CB-CD1 3.59Å; K384-L393 HydrophobicContact CD-CD1 3.86Å; K384-L393 HydrophobicContact CG-CD1 3.8Å; K384-D396 IonicContact NZ-OD1 3.97Å; K384-D396 PolarHBondContact NZ-OD1 2.81Å; K384-D396 IonicContact NZ-OD2 2.79Å; K384-D396 PolarHBondContact NZ-OD2 3.38Å
385V96.8Very high92.8Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-103127.4172.1-174.60000108.7A95 V96 L373 L374 V375 N394 M395 L397 W409A95-V385 HydrophobicContact CB-CG1 4.11Å; V96-V385 HydrophobicContact CG2-CG2 3.84Å; L373-V385 HydrophobicContact CB-CG1 4.17Å; L373-V385 HydrophobicContact CD1-CG1 4.32Å; L373-V385 HydrophobicContact CD2-CG1 4.39Å; L374-V385 CarbonylContact O-C 3.53Å; L374-V385 WeakPolarHBondContact O-CA 3.07Å; V375-V385 HydrophobicContact CG2-CG2 4.24Å; V385-N394 WeakPolarHBondContact O-CA 3.39Å; V385-N394 WeakPolarHBondContact O-CB 3.13Å; V385-N394 PolarHBondContact O-N 3.29Å; V385-M395 HydrophobicContact CB-CB 4.17Å; V385-M395 HydrophobicContact CG2-CB 4.41Å; V385-M395 PolarHBondContact N-O 2.74Å; V385-M395 PolarHBondContact O-N 3.06Å; V385-M395 VanDerWaalsContact O-N 3.11Å; V385-L397 HydrophobicContact CG2-CD1 3.83Å; V385-W409 HydrophobicContact CG1-CH2 3.84Å; V385-W409 HydrophobicContact CG1-CZ3 4.09Å
386W95.4Very high92.8Very high3 Ų341.6 Ų41.61%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-111.7138.8-176.1-49.889.3000109.9I341 L355 R356 H358 L373 L374 S376 K384 L393I341-W386 HydrophobicContact CD1-CZ2 4.35Å; L355-W386 HydrophobicContact CB-CD2 3.89Å; L355-W386 HydrophobicContact CB-CE3 3.75Å; L355-W386 HydrophobicContact CB-CG 4.45Å; L355-W386 HydrophobicContact CB-CH2 4.39Å; L355-W386 HydrophobicContact CB-CZ3 4.01Å; L355-W386 HydrophobicContact CD1-CB 3.81Å; L355-W386 HydrophobicContact CD1-CD2 4.06Å; L355-W386 HydrophobicContact CD1-CG 3.72Å; L355-W386 HydrophobicContact CD2-CB 4.17Å; L355-W386 HydrophobicContact CD2-CD2 4.33Å; L355-W386 HydrophobicContact CD2-CE3 4.01Å; L355-W386 HydrophobicContact CD2-CG 4.42Å; L355-W386 HydrophobicContact CG-CD2 4.32Å; L355-W386 HydrophobicContact CG-CE3 4.31Å; L355-W386 HydrophobicContact CG-CG 4.42Å; R356-W386 WeakPolarHBondContact O-CZ3 3.42Å; H358-W386 AromaticContact CD2-CZ2 3.95Å; L373-W386 VanDerWaalsContact CA-O 3.28Å; L373-W386 WeakPolarHBondContact CA-O 3.29Å; L374-W386 HydrophobicContact CB-CB 4.38Å; L374-W386 PolarHBondContact N-O 3.12Å; L374-W386 VanDerWaalsContact O-CD1 3.32Å; L374-W386 PolarHBondContact O-N 3.27Å; S376-W386 PolarHBondContact OG-NE1 3.38Å; K384-W386 HydrophobicContact CB-CZ2 3.68Å; K384-W386 HydrophobicContact CD-CH2 4.03Å; K384-W386 HydrophobicContact CD-CZ2 3.76Å; K384-W386 HydrophobicContact CG-CZ2 4.34Å; K384-W386 PolarHBondContact O-NE1 3.3Å; W386-L393 HydrophobicContact CD2-CD1 4.29Å; W386-L393 HydrophobicContact CE3-CB 4.19Å; W386-L393 HydrophobicContact CE3-CD1 4.11Å; W386-L393 HydrophobicContact CH2-CD1 4.18Å; W386-L393 HydrophobicContact CZ2-CD1 4.34Å; W386-L393 HydrophobicContact CZ3-CB 4.03Å; W386-L393 HydrophobicContact CZ3-CD1 4.06Å
387D89.4Confident92.7Very high41 Ų4141.7 Ų41.722%0.21922%0.219CC..EExtended strand (participates in β ladder)trans-90120.2166.8-177.3-45.4000108.7L373 K389 T390 G391 K392 N394L373-D387 HydrophobicContact CD2-CB 4.33Å; D387-K389 WeakPolarHBondContact OD1-CB 3.22Å; D387-K389 PolarHBondContact OD1-N 3.08Å; D387-T390 WeakPolarHBondContact CB-OG1 3.36Å; D387-T390 PolarHBondContact OD1-N 3.11Å; D387-T390 PolarHBondContact OD1-OG1 3.23Å; D387-G391 WeakPolarHBondContact O-CA 3.35Å; D387-G391 PolarHBondContact O-N 3.33Å; D387-K392 PolarHBondContact N-O 2.78Å; D387-K392 PolarHBondContact O-N 3.19Å; D387-N394 HydrophobicContact CB-CB 4.31Å
388I85.8Confident92.6Very high19 Ų1946 Ų4610%0.09725%0.248CC..THydrogen-bonded Turntrans-80.9-23.7-172.2-63.9-71.9000112.2L331 I343 L355 W367 R372 L374L331-I388 HydrophobicContact CD1-CG2 3.68Å; I343-I388 HydrophobicContact CD1-CD1 3.93Å; I343-I388 HydrophobicContact CG1-CD1 4.21Å; L355-I388 HydrophobicContact CD1-CD1 3.98Å; W367-I388 HydrophobicContact CE3-CG1 4.46Å; W367-I388 HydrophobicContact CH2-CD1 3.93Å; W367-I388 HydrophobicContact CH2-CG1 3.93Å; W367-I388 HydrophobicContact CH2-CG2 3.95Å; W367-I388 HydrophobicContact CZ3-CB 4.18Å; W367-I388 HydrophobicContact CZ3-CD1 4.04Å; W367-I388 HydrophobicContact CZ3-CG1 3.56Å; W367-I388 HydrophobicContact CZ3-CG2 4Å; R372-I388 WeakPolarHBondContact O-CB 3.2Å; R372-I388 PolarHBondContact O-N 2.9Å; L374-I388 HydrophobicContact CB-CD1 3.85Å; L374-I388 HydrophobicContact CB-CG1 4.13Å; L374-I388 HydrophobicContact CD2-CD1 4.43Å
389K82.1Confident92.2Very high140 Ų14047.6 Ų47.661%0.60926%0.264SS*.THydrogen-bonded Turntrans-71.5-45.9175.7-176.7178.1-179.6175.30110.5E61 D387E61-K389 IonicContact OE2-NZ 2.93Å; E61-K389 PolarHBondContact OE2-NZ 3.05Å; D387-K389 WeakPolarHBondContact OD1-CB 3.22Å; D387-K389 PolarHBondContact OD1-N 3.08Å
390T79.4Confident92.2Very high82 Ų8246.6 Ų46.650%0.50326%0.256SS..THydrogen-bonded Turntrans-86.5-21.8-179.265.60000112.8D387 K392D387-T390 WeakPolarHBondContact CB-OG1 3.36Å; D387-T390 PolarHBondContact OD1-N 3.11Å; D387-T390 PolarHBondContact OD1-OG1 3.23Å; T390-K392 PolarHBondContact O-N 3.22Å; T390-K392 PolarHBondContact OG1-N 3.23Å
391G84.6Confident92.1Very high15 Ų1549.4 Ų49.416%0.15528%0.283CS..THydrogen-bonded Turntrans71.515.4-174.700000114.9D387D387-G391 WeakPolarHBondContact O-CA 3.35Å; D387-G391 PolarHBondContact O-N 3.33Å
392K89.4Confident92.1Very high149 Ų14950 Ų5065%0.64828%0.283SS*.EExtended strand (participates in β ladder)trans-106.4158.3-174.8-65.9-178-179.4178.50111.4D387 T390 N394D387-K392 PolarHBondContact N-O 2.78Å; D387-K392 PolarHBondContact O-N 3.19Å; T390-K392 PolarHBondContact O-N 3.22Å; T390-K392 PolarHBondContact OG1-N 3.23Å; K392-N394 PolarHBondContact O-N 3.49Å
393L94.1Very high92.1Very high76 Ų7651.4 Ų51.440%0.39829%0.288SS..EExtended strand (participates in β ladder)trans-63.4123.6168.4-176.467.4000108.8K384 W386 M395 D396K384-L393 HydrophobicContact CB-CD1 3.59Å; K384-L393 HydrophobicContact CD-CD1 3.86Å; K384-L393 HydrophobicContact CG-CD1 3.8Å; W386-L393 HydrophobicContact CD2-CD1 4.29Å; W386-L393 HydrophobicContact CE3-CB 4.19Å; W386-L393 HydrophobicContact CE3-CD1 4.11Å; W386-L393 HydrophobicContact CH2-CD1 4.18Å; W386-L393 HydrophobicContact CZ2-CD1 4.34Å; W386-L393 HydrophobicContact CZ3-CB 4.03Å; W386-L393 HydrophobicContact CZ3-CD1 4.06Å; L393-M395 WeakPolarHBondContact CD1-O 3.47Å; L393-D396 HydrophobicContact CD2-CB 4.4Å
394N93.1Very high92.1Very high62 Ų6251.4 Ų51.433%0.33229%0.288SS..EExtended strand (participates in β ladder)trans-91.6-51.8176.8-169.5-49000110.3V385 D387 K392V385-N394 WeakPolarHBondContact O-CA 3.39Å; V385-N394 WeakPolarHBondContact O-CB 3.13Å; V385-N394 PolarHBondContact O-N 3.29Å; D387-N394 HydrophobicContact CB-CB 4.31Å; K392-N394 PolarHBondContact O-N 3.49Å
395M94.8Very high92.1Very high69 Ų6953.3 Ų53.334%0.3430%0.296SS..EExtended strand (participates in β ladder)trans-137.8142.5178.7-67.2-65.3166.400111.6A95 T97 V385 L393 L397A95-M395 HydrophobicContact CB-CG 4.01Å; T97-M395 HydrophobicContact CG2-CE 3.77Å; T97-M395 HydrophobicContact CG2-CG 4.09Å; T97-M395 HydrophobicContact CG2-SD 3.86Å; V385-M395 HydrophobicContact CB-CB 4.17Å; V385-M395 HydrophobicContact CG2-CB 4.41Å; V385-M395 PolarHBondContact N-O 2.74Å; V385-M395 PolarHBondContact O-N 3.06Å; V385-M395 VanDerWaalsContact O-N 3.11Å; L393-M395 WeakPolarHBondContact CD1-O 3.47Å; M395-L397 HydrophobicContact CB-CD2 4.5Å
396D95.3Very high92Very high80 Ų8053.3 Ų53.343%0.42830%0.296SS..EExtended strand (participates in β ladder)trans-105.6128.2168.1-162.410.3000109.5K384 L393 P398K384-D396 IonicContact NZ-OD1 3.97Å; K384-D396 PolarHBondContact NZ-OD1 2.81Å; K384-D396 IonicContact NZ-OD2 2.79Å; K384-D396 PolarHBondContact NZ-OD2 3.38Å; L393-D396 HydrophobicContact CD2-CB 4.4Å; D396-P398 VanDerWaalsContact O-CD 3.29Å; D396-P398 WeakPolarHBondContact O-CD 3.49Å
397L95.5Very high92.1Very high2 Ų253.2 Ų53.21%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-122.682-170.1-64.4178.5000110.1V96 T97 L383 V385 M395 W428V96-L397 HydrophobicContact CG2-CD1 3.74Å; T97-L397 WeakPolarHBondContact O-CD2 3.43Å; L383-L397 HydrophobicContact CB-CB 3.84Å; L383-L397 HydrophobicContact CB-CD1 4.24Å; L383-L397 PolarHBondContact N-O 2.86Å; L383-L397 WeakPolarHBondContact O-CA 3.22Å; L383-L397 WeakPolarHBondContact O-CB 3.47Å; L383-L397 PolarHBondContact O-N 2.88Å; V385-L397 HydrophobicContact CG2-CD1 3.83Å; M395-L397 HydrophobicContact CB-CD2 4.5Å; L397-W428 HydrophobicContact CB-CE3 3.9Å; L397-W428 HydrophobicContact CB-CH2 4.09Å; L397-W428 HydrophobicContact CB-CZ3 3.62Å; L397-W428 HydrophobicContact CD1-CD2 4.32Å; L397-W428 HydrophobicContact CD1-CE3 4.04Å; L397-W428 HydrophobicContact CD2-CE3 3.98Å; L397-W428 HydrophobicContact CD2-CZ3 4.2Å; L397-W428 HydrophobicContact CG-CE3 4.2Å; L397-W428 HydrophobicContact CG-CZ3 4.35Å
398P94.4Very high92.4Very high92 Ų9252 Ų5260%0.59729%0.289SS*.EExtended strand (participates in β ladder)trans-76.1149.8171.632.6-34.6000110.6D396 W428D396-P398 VanDerWaalsContact O-CD 3.29Å; D396-P398 WeakPolarHBondContact O-CD 3.49Å; P398-W428 WeakPolarHBondContact O-CH2 3.37Å
399G89.6Confident92.8Very high33 Ų3351.2 Ų51.234%0.3429%0.285SS..  trans162.7-26170.900000115.7R426G399-R426 PolarHBondContact O-NE 2.89Å; G399-R426 PolarHBondContact O-NH2 2.77Å
400H94.6Very high93.2Very high10 Ų1044.5 Ų44.55%0.04626%0.256CS..  trans-69.5145.5171.2-81.5-82000110.7D402 V404 S418 D422H400-D402 WeakPolarHBondContact CB-O 3.4Å; H400-V404 HydrophobicContact CB-CG2 3.73Å; H400-V404 VanDerWaalsContact CD2-CG2 3.44Å; H400-V404 WeakPolarHBondContact CD2-CG2 3.21Å; H400-S418 WeakPolarHBondContact NE2-CB 3.47Å; H400-S418 PolarHBondContact NE2-OG 2.77Å; H400-D422 WeakPolarHBondContact CA-OD2 3.19Å; H400-D422 IonicContact CE1-OD1 2.62Å; H400-D422 IonicContact CE1-OD2 3.7Å; H400-D422 IonicContact CG-OD2 3.72Å; H400-D422 VanDerWaalsContact ND1-CG 3.25Å; H400-D422 IonicContact ND1-OD1 2.95Å; H400-D422 PolarHBondContact ND1-OD1 2.97Å; H400-D422 VanDerWaalsContact ND1-OD1 3.11Å; H400-D422 IonicContact ND1-OD2 3.11Å; H400-D422 PolarHBondContact ND1-OD2 3.08Å
401A94Very high93.6Very high91 Ų9140.6 Ų40.675%0.75223%0.232SC*.SBendtrans-85.2-13179.400000112.9D422A401-D422 HydrophobicContact CB-CB 4.1Å; A401-D422 PolarHBondContact N-OD2 3.44Å
402D95.6Very high93.5Very high52 Ų5240.6 Ų40.628%0.27823%0.228SC..SBendtrans-150.7-174.5-177.2-154.4-32.9000108.8S381 H400 K421 D422S381-D402 WeakPolarHBondContact CA-O 3.32Å; S381-D402 VanDerWaalsContact CB-O 3.3Å; S381-D402 WeakPolarHBondContact CB-O 3.46Å; H400-D402 WeakPolarHBondContact CB-O 3.4Å; D402-K421 HydrophobicContact CB-CB 3.95Å; D402-K421 HydrophobicContact CB-CG 4.33Å; D402-K421 VanDerWaalsContact CG-NZ 3.27Å; D402-K421 IonicContact OD1-NZ 2.81Å; D402-K421 PolarHBondContact OD1-NZ 3.46Å; D402-K421 VanDerWaalsContact OD2-CE 3.32Å; D402-K421 WeakPolarHBondContact OD2-CE 3.48Å; D402-K421 WeakPolarHBondContact OD2-CG 3.25Å; D402-K421 IonicContact OD2-NZ 3.96Å; D402-K421 PolarHBondContact OD2-NZ 2.92Å; D402-D422 HydrophobicContact CB-CB 4.31Å
403E96.4Very high93.3Very high50 Ų5033.8 Ų33.823%0.23420%0.2CC..  trans-51.5138.6-176.9-63.4173.1-167.600113.8Y363 Y405 G420 K421Y363-E403 HydrophobicContact CE2-CB 4.23Å; Y363-E403 PolarHBondContact OH-OE2 2.9Å; E403-Y405 HydrophobicContact CB-CE1 3.83Å; E403-Y405 WeakPolarHBondContact OE2-CE1 3.38Å; E403-Y405 VanDerWaalsContact OE2-CZ 3.29Å; E403-Y405 PolarHBondContact OE2-OH 2.8Å; E403-G420 CarbonylContact O-C 3.43Å; E403-G420 WeakPolarHBondContact O-CA 3.38Å; E403-K421 HydrophobicContact CB-CB 4.34Å; E403-K421 PolarHBondContact O-N 3.33Å
404V97.2Very high93Very high0 Ų036.7 Ų36.70%021%0.212CC..EExtended strand (participates in β ladder)trans-100.7104178.3-176.20000110Y363 S378 L383 H400 V407Y363-V404 VanDerWaalsContact CD2-O 3.28Å; Y363-V404 WeakPolarHBondContact CD2-O 3.48Å; S378-V404 PolarHBondContact O-N 2.97Å; L383-V404 HydrophobicContact CD1-CG1 3.98Å; L383-V404 HydrophobicContact CD1-CG2 4.02Å; L383-V404 HydrophobicContact CG-CG1 4.38Å; H400-V404 HydrophobicContact CB-CG2 3.73Å; H400-V404 VanDerWaalsContact CD2-CG2 3.44Å; H400-V404 WeakPolarHBondContact CD2-CG2 3.21Å; V404-V407 HydrophobicContact CG1-CG1 3.89Å
405Y95.8Very high92.9Very high54 Ų5434.9 Ų34.921%0.21220%0.2CC..EExtended strand (participates in β ladder)trans-82.7-36.5-177.9-62.9-41.2000113.4A109 Y363 E403 G419 K421A109-Y405 HydrophobicContact CB-CD2 4.37Å; A109-Y405 HydrophobicContact CB-CE2 4.03Å; Y363-Y405 HydrophobicContact CD1-CD1 4.39Å; Y363-Y405 AromaticContact CD2-CD1 3.75Å; Y363-Y405 HydrophobicContact CD2-CD1 3.75Å; Y363-Y405 HydrophobicContact CD2-CE1 4.23Å; Y363-Y405 HydrophobicContact CE1-CD1 4.39Å; Y363-Y405 HydrophobicContact CE1-CE1 4.4Å; Y363-Y405 AromaticContact CE2-CD1 3.7Å; Y363-Y405 HydrophobicContact CE2-CD1 3.7Å; Y363-Y405 AromaticContact CE2-CE1 3.68Å; Y363-Y405 HydrophobicContact CE2-CE1 3.68Å; Y363-Y405 HydrophobicContact CG-CD1 4.1Å; Y363-Y405 AromaticContact CZ-CE1 3.81Å; E403-Y405 HydrophobicContact CB-CE1 3.83Å; E403-Y405 WeakPolarHBondContact OE2-CE1 3.38Å; E403-Y405 VanDerWaalsContact OE2-CZ 3.29Å; E403-Y405 PolarHBondContact OE2-OH 2.8Å; Y405-G419 PolarHBondContact N-O 3.09Å; Y405-K421 HydrophobicContact CE2-CB 3.77Å; Y405-K421 HydrophobicContact CE2-CD 4.49Å; Y405-K421 VanDerWaalsContact OH-CD 3.23Å; Y405-K421 WeakPolarHBondContact OH-CD 3.21Å
406A95.4Very high93Very high0 Ų031.6 Ų31.60%018%0.184CC..EExtended strand (participates in β ladder)trans-125.4136.4-170.200000112.2T113 S418 G419T113-A406 HydrophobicContact CG2-CB 3.7Å; A406-S418 CarbonylContact O-C 3.58Å; A406-S418 WeakPolarHBondContact O-CA 3.33Å; A406-G419 PolarHBondContact N-O 3.44Å; A406-G419 PolarHBondContact O-N 2.79Å
407V96.7Very high93.1Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-140141.8172.3-58.80000110.3Q364 V375 L383 V404 A417Q364-V407 HydrophobicContact CB-CG2 4.04Å; Q364-V407 VanDerWaalsContact CD-O 3.31Å; Q364-V407 HydrophobicContact CG-CG2 4Å; Q364-V407 PolarHBondContact NE2-O 3.21Å; Q364-V407 WeakPolarHBondContact O-CG2 2.93Å; V375-V407 HydrophobicContact CG1-CB 4.46Å; V375-V407 HydrophobicContact CG1-CG2 4.31Å; L383-V407 HydrophobicContact CD2-CB 4.48Å; L383-V407 HydrophobicContact CD2-CG1 3.66Å; L383-V407 HydrophobicContact CG-CG1 4.08Å; V404-V407 HydrophobicContact CG1-CG1 3.89Å; V407-A417 WeakPolarHBondContact CA-O 3.48Å
408D95.9Very high93.2Very high17 Ų1727.7 Ų27.79%0.09116%0.163CC..EExtended strand (participates in β ladder)trans-144.2148.1171.5-167.516000110.5T113 A114 F115 R289 V416 A417T113-D408 HydrophobicContact CG2-CB 4.21Å; A114-D408 VanDerWaalsContact CA-OD2 3.3Å; A114-D408 WeakPolarHBondContact CA-OD2 3.34Å; F115-D408 HydrophobicContact CD2-CB 3.94Å; F115-D408 WeakPolarHBondContact CD2-OD2 3.48Å; F115-D408 HydrophobicContact CE2-CB 4.33Å; F115-D408 WeakPolarHBondContact CE2-O 3.29Å; F115-D408 PolarHBondContact N-OD2 2.95Å; R289-D408 IonicContact CZ-OD1 3.88Å; R289-D408 IonicContact NH1-OD1 3.44Å; R289-D408 PolarHBondContact NH1-OD1 3.48Å; R289-D408 IonicContact NH1-OD2 3.88Å; R289-D408 PolarHBondContact NH1-OD2 2.81Å; D408-V416 WeakPolarHBondContact O-CA 3.4Å; D408-A417 PolarHBondContact N-O 3.36Å; D408-A417 PolarHBondContact O-N 3.28Å
409W93.9Very high93.3Very high1 Ų123.3 Ų23.30%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-100.3132.8173.2-150.1-56.6000108.7V93 R289 W367 L373 V375 V385 G413 V416V93-W409 HydrophobicContact CG1-CZ2 3.59Å; R289-W409 PolarHBondContact NH1-O 3.42Å; R289-W409 PolarHBondContact NH2-O 2.76Å; W367-W409 WeakPolarHBondContact O-CB 3.41Å; L373-W409 HydrophobicContact CB-CH2 3.75Å; L373-W409 HydrophobicContact CB-CZ3 3.96Å; L373-W409 HydrophobicContact CD1-CH2 3.84Å; L373-W409 HydrophobicContact CD1-CZ2 4.23Å; L373-W409 HydrophobicContact CG-CH2 4.47Å; V375-W409 HydrophobicContact CB-CE3 3.78Å; V375-W409 HydrophobicContact CB-CZ3 3.74Å; V375-W409 HydrophobicContact CG1-CE3 3.66Å; V375-W409 HydrophobicContact CG1-CZ3 4.18Å; V385-W409 HydrophobicContact CG1-CH2 3.84Å; V385-W409 HydrophobicContact CG1-CZ3 4.09Å; W409-G413 PolarHBondContact NE1-O 3.45Å; W409-G413 VanDerWaalsContact NE1-O 3.08Å; W409-V416 HydrophobicContact CB-CG2 4.47Å; W409-V416 HydrophobicContact CD2-CG2 3.56Å; W409-V416 HydrophobicContact CE3-CG2 3.86Å; W409-V416 HydrophobicContact CG-CG2 3.88Å; W409-V416 HydrophobicContact CH2-CG2 4.43Å; W409-V416 HydrophobicContact CZ2-CG2 4.19Å; W409-V416 HydrophobicContact CZ3-CG2 4.29Å
410S91.8Very high93.5Very high0 Ų021.8 Ų21.80%012%0.119CC..  trans-62.2144.7177.563.30000111D412 G413 Q414 R415S410-D412 WeakPolarHBondContact CB-OD1 3.17Å; S410-D412 PolarHBondContact O-N 3.23Å; S410-D412 PolarHBondContact OG-OD1 3.41Å; S410-G413 PolarHBondContact O-N 3.22Å; S410-Q414 PolarHBondContact OG-N 3.38Å; S410-R415 WeakPolarHBondContact CB-O 3.41Å; S410-R415 PolarHBondContact N-O 2.81Å; S410-R415 WeakPolarHBondContact OG-CA 3.39Å; S410-R415 PolarHBondContact OG-N 3.22Å; S410-R415 PolarHBondContact OG-O 3.06Å
411P86.5Confident93.6Very high0 Ų025.2 Ų25.20%013%0.134CC..THydrogen-bonded Turntrans-56-38.6175.9-26.833.2000113.6S116 P117 Y286 T290 P295 A369 G413S116-P411 VanDerWaalsContact O-CG 3.3Å; S116-P411 WeakPolarHBondContact O-CG 3.48Å; P117-P411 WeakPolarHBondContact O-CG 3.43Å; Y286-P411 HydrophobicContact CD2-CB 4.37Å; Y286-P411 VanDerWaalsContact CE2-CA 3.41Å; Y286-P411 HydrophobicContact CE2-CB 3.71Å; Y286-P411 WeakPolarHBondContact CE2-O 3.18Å; Y286-P411 VanDerWaalsContact CZ-O 3.28Å; Y286-P411 PolarHBondContact OH-O 3.24Å; Y286-P411 VanDerWaalsContact OH-O 3.05Å; T290-P411 HydrophobicContact CG2-CB 3.73Å; T290-P411 HydrophobicContact CG2-CG 4.3Å; P295-P411 HydrophobicContact CB-CB 3.9Å; P295-P411 HydrophobicContact CG-CB 3.26Å; A369-P411 WeakPolarHBondContact CB-O 3Å; P411-G413 PolarHBondContact O-N 3.14Å; P411-G413 VanDerWaalsContact O-N 3.11Å
412D82.9Confident93.6Very high15 Ų1522.2 Ų22.28%0.0811%0.105CC..THydrogen-bonded Turntrans-69.7-2.3176.363.920.3000114.1F91 P295 S410 Q414 R415F91-D412 WeakPolarHBondContact CE2-O 3.32Å; F91-D412 WeakPolarHBondContact CZ-O 3.16Å; P295-D412 HydrophobicContact CB-CB 4.22Å; S410-D412 WeakPolarHBondContact CB-OD1 3.17Å; S410-D412 PolarHBondContact O-N 3.23Å; S410-D412 PolarHBondContact OG-OD1 3.41Å; D412-Q414 HydrophobicContact CB-CG 4.32Å; D412-Q414 WeakPolarHBondContact O-CG 3.49Å; D412-Q414 PolarHBondContact O-N 3.07Å; D412-Q414 VanDerWaalsContact O-N 3.1Å; D412-Q414 WeakPolarHBondContact OD1-CB 3.33Å; D412-Q414 PolarHBondContact OD1-N 3.44Å; D412-R415 IonicContact OD2-CZ 3.45Å; D412-R415 IonicContact OD2-NE 2.74Å; D412-R415 IonicContact OD2-NH2 3.81Å; D412-R415 PolarHBondContact OD2-NH2 2.83Å
413G85.6Confident93.6Very high6 Ų624.5 Ų24.56%0.06211%0.112CC..SBendtrans69.8-3.6-178.700000115.4V93 W409 S410 P411V93-G413 WeakPolarHBondContact CG1-O 3.43Å; W409-G413 PolarHBondContact NE1-O 3.45Å; W409-G413 VanDerWaalsContact NE1-O 3.08Å; S410-G413 PolarHBondContact O-N 3.22Å; P411-G413 PolarHBondContact O-N 3.14Å; P411-G413 VanDerWaalsContact O-N 3.11Å
414Q87.3Confident93.5Very high137 Ų13723.2 Ų23.264%0.6411%0.108SC*.SBendtrans-86.1-21.1-170.5-58.7-171.7-2.500114.3S410 D412S410-Q414 PolarHBondContact OG-N 3.38Å; D412-Q414 HydrophobicContact CB-CG 4.32Å; D412-Q414 WeakPolarHBondContact O-CG 3.49Å; D412-Q414 PolarHBondContact O-N 3.07Å; D412-Q414 VanDerWaalsContact O-N 3.1Å; D412-Q414 WeakPolarHBondContact OD1-CB 3.33Å; D412-Q414 PolarHBondContact OD1-N 3.44Å
415R92.3Very high93.4Very high24 Ų2423.2 Ų23.29%0.09111%0.108CC..  trans-132.8147.3-170.4-73.8170.8-74.9-170.52.1110.9F115 G119 L136 S410 D412 I427 W428 R429F115-R415 HydrophobicContact CE1-CB 4.28Å; F115-R415 HydrophobicContact CZ-CB 3.99Å; G119-R415 PolarHBondContact O-NH2 3.08Å; L136-R415 VanDerWaalsContact CB-NH1 3.27Å; S410-R415 WeakPolarHBondContact CB-O 3.41Å; S410-R415 PolarHBondContact N-O 2.81Å; S410-R415 WeakPolarHBondContact OG-CA 3.39Å; S410-R415 PolarHBondContact OG-N 3.22Å; S410-R415 PolarHBondContact OG-O 3.06Å; D412-R415 IonicContact OD2-CZ 3.45Å; D412-R415 IonicContact OD2-NE 2.74Å; D412-R415 IonicContact OD2-NH2 3.81Å; D412-R415 PolarHBondContact OD2-NH2 2.83Å; R415-I427 HydrophobicContact CB-CG2 4.39Å; R415-I427 HydrophobicContact CG-CG2 4.13Å; R415-W428 WeakPolarHBondContact CA-O 3.21Å; R415-R429 HydrophobicContact CG-CG 3.9Å
416V96.2Very high93.4Very high0 Ų022.9 Ų22.90%011%0.107CC..EExtended strand (participates in β ladder)trans-118.8138.1162.5167.30000107.5V96 V375 L383 D408 W409 I427 W428V96-V416 HydrophobicContact CB-CG2 4.48Å; V96-V416 HydrophobicContact CG1-CB 4.33Å; V96-V416 HydrophobicContact CG1-CG2 3.96Å; V96-V416 HydrophobicContact CG2-CB 4.08Å; V96-V416 HydrophobicContact CG2-CG2 3.67Å; V375-V416 HydrophobicContact CG1-CG1 4.25Å; V375-V416 HydrophobicContact CG1-CG2 4.43Å; V375-V416 HydrophobicContact CG2-CG1 4.11Å; L383-V416 HydrophobicContact CD2-CG1 4.06Å; D408-V416 WeakPolarHBondContact O-CA 3.4Å; W409-V416 HydrophobicContact CB-CG2 4.47Å; W409-V416 HydrophobicContact CD2-CG2 3.56Å; W409-V416 HydrophobicContact CE3-CG2 3.86Å; W409-V416 HydrophobicContact CG-CG2 3.88Å; W409-V416 HydrophobicContact CH2-CG2 4.43Å; W409-V416 HydrophobicContact CZ2-CG2 4.19Å; W409-V416 HydrophobicContact CZ3-CG2 4.29Å; V416-I427 WeakPolarHBondContact O-CA 3.28Å; V416-W428 HydrophobicContact CB-CB 4.16Å; V416-W428 PolarHBondContact N-O 2.88Å; V416-W428 PolarHBondContact O-N 2.88Å
417A96.6Very high93.5Very high0 Ų022.9 Ų22.90%011%0.107CC..EExtended strand (participates in β ladder)trans-110141.717200000109.1F115 L122 V407 D408 R426 I427F115-A417 HydrophobicContact CD2-CB 4.33Å; F115-A417 HydrophobicContact CE1-CB 4.41Å; F115-A417 HydrophobicContact CE2-CB 3.41Å; F115-A417 VanDerWaalsContact CE2-CB 3.41Å; F115-A417 HydrophobicContact CZ-CB 3.45Å; F115-A417 VanDerWaalsContact CZ-CB 3.45Å; L122-A417 HydrophobicContact CD1-CB 3.67Å; L122-A417 HydrophobicContact CD2-CB 3.87Å; L122-A417 HydrophobicContact CG-CB 4.45Å; V407-A417 WeakPolarHBondContact CA-O 3.48Å; D408-A417 PolarHBondContact N-O 3.36Å; D408-A417 PolarHBondContact O-N 3.28Å; A417-R426 CarbonylContact C-O 3.53Å; A417-R426 WeakPolarHBondContact CA-O 3.44Å; A417-I427 HydrophobicContact CB-CD1 3.9Å
418S97.4Very high93.4Very high0 Ų023 Ų230%011%0.107CC..EExtended strand (participates in β ladder)trans-138.7149.1174.364.10000111.7H400 A406 L425 R426 W428H400-S418 WeakPolarHBondContact NE2-CB 3.47Å; H400-S418 PolarHBondContact NE2-OG 2.77Å; A406-S418 CarbonylContact O-C 3.58Å; A406-S418 WeakPolarHBondContact O-CA 3.33Å; S418-L425 CarbonylContact O-C 3.56Å; S418-L425 VanDerWaalsContact O-CA 3.26Å; S418-L425 WeakPolarHBondContact O-CA 3.27Å; S418-R426 PolarHBondContact N-O 3.39Å; S418-R426 PolarHBondContact O-N 2.75Å; S418-W428 PolarHBondContact OG-NE1 3.12Å
419G96.8Very high93.2Very high0 Ų026 Ų260%012%0.117CC..EExtended strand (participates in β ladder)trans-143.3146.2178.700000110.4Y405 A406Y405-G419 PolarHBondContact N-O 3.09Å; A406-G419 PolarHBondContact N-O 3.44Å; A406-G419 PolarHBondContact O-N 2.79Å
420G95.4Very high92.7Very high0 Ų034 Ų340%015%0.148CC..EExtended strand (participates in β ladder)trans-154-164.4-173.900000114.6A109 V110 E403 D422 K423A109-G420 WeakPolarHBondContact CA-O 3.39Å; V110-G420 PolarHBondContact N-O 3.28Å; E403-G420 CarbonylContact O-C 3.43Å; E403-G420 WeakPolarHBondContact O-CA 3.38Å; G420-D422 PolarHBondContact O-N 2.58Å; G420-K423 PolarHBondContact O-N 3.39Å
421K96.1Very high92.7Very high83 Ų8335.8 Ų35.836%0.36116%0.155SC..THydrogen-bonded Turntrans-69.9-18.9-178.6-175.1158.5148.8-107.20113.5A109 D402 E403 Y405 K423A109-K421 HydrophobicContact CB-CB 4.5Å; D402-K421 HydrophobicContact CB-CB 3.95Å; D402-K421 HydrophobicContact CB-CG 4.33Å; D402-K421 VanDerWaalsContact CG-NZ 3.27Å; D402-K421 IonicContact OD1-NZ 2.81Å; D402-K421 PolarHBondContact OD1-NZ 3.46Å; D402-K421 VanDerWaalsContact OD2-CE 3.32Å; D402-K421 WeakPolarHBondContact OD2-CE 3.48Å; D402-K421 WeakPolarHBondContact OD2-CG 3.25Å; D402-K421 IonicContact OD2-NZ 3.96Å; D402-K421 PolarHBondContact OD2-NZ 2.92Å; E403-K421 HydrophobicContact CB-CB 4.34Å; E403-K421 PolarHBondContact O-N 3.33Å; Y405-K421 HydrophobicContact CE2-CB 3.77Å; Y405-K421 HydrophobicContact CE2-CD 4.49Å; Y405-K421 VanDerWaalsContact OH-CD 3.23Å; Y405-K421 WeakPolarHBondContact OH-CD 3.21Å; K421-K423 PolarHBondContact O-N 2.83Å; K421-K423 VanDerWaalsContact O-N 3.16Å
422D94.3Very high93Very high27 Ų2737.6 Ų37.614%0.14416%0.163CC..THydrogen-bonded Turntrans-72.44.317170-3.6000114.1H400 A401 D402 G420 C424H400-D422 WeakPolarHBondContact CA-OD2 3.19Å; H400-D422 IonicContact CE1-OD1 2.62Å; H400-D422 IonicContact CE1-OD2 3.7Å; H400-D422 IonicContact CG-OD2 3.72Å; H400-D422 VanDerWaalsContact ND1-CG 3.25Å; H400-D422 IonicContact ND1-OD1 2.95Å; H400-D422 PolarHBondContact ND1-OD1 2.97Å; H400-D422 VanDerWaalsContact ND1-OD1 3.11Å; H400-D422 IonicContact ND1-OD2 3.11Å; H400-D422 PolarHBondContact ND1-OD2 3.08Å; A401-D422 HydrophobicContact CB-CB 4.1Å; A401-D422 PolarHBondContact N-OD2 3.44Å; D402-D422 HydrophobicContact CB-CB 4.31Å; G420-D422 PolarHBondContact O-N 2.58Å; D422-C424 PolarHBondContact O-N 2.88Å; D422-C424 PolarHBondContact O-SG 3.01Å; D422-C424 VanDerWaalsContact O-SG 3.35Å; D422-C424 PolarHBondContact OD1-N 2.76Å
423K95.2Very high93.6Very high101 Ų10138.9 Ų38.944%0.43917%0.168SC..SBendtrans66.73.6172-42.9173.6176.2-164.70114.3T107 G420 K421T107-K423 VanDerWaalsContact O-CD 3.29Å; T107-K423 WeakPolarHBondContact O-CD 3.5Å; T107-K423 WeakPolarHBondContact O-CE 3.26Å; T107-K423 PolarHBondContact O-NZ 2.79Å; G420-K423 PolarHBondContact O-N 3.39Å; K421-K423 PolarHBondContact O-N 2.83Å; K421-K423 VanDerWaalsContact O-N 3.16Å
424C93.4Very high94.1Very high22 Ų2240.8 Ų40.815%0.14917%0.174CC..  trans-107.1145.7-177.1-63.20000109.8T102 D422T102-C424 HydrophobicContact CG2-CB 3.74Å; D422-C424 PolarHBondContact O-N 2.88Å; D422-C424 PolarHBondContact O-SG 3.01Å; D422-C424 VanDerWaalsContact O-SG 3.35Å; D422-C424 PolarHBondContact OD1-N 2.76Å
425L96.1Very high94.5Very high1 Ų134.8 Ų34.81%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-92.5139.4163.3-73.7153.3000108.6T102 L103 V110 L122 W134 S418T102-L425 CarbonylContact C-O 3.52Å; T102-L425 WeakPolarHBondContact CA-O 3.48Å; L103-L425 HydrophobicContact CB-CB 4.08Å; L103-L425 HydrophobicContact CD1-CB 4.46Å; L103-L425 PolarHBondContact N-O 2.81Å; L103-L425 PolarHBondContact O-N 2.97Å; V110-L425 HydrophobicContact CG1-CD2 3.89Å; V110-L425 HydrophobicContact CG1-CG 4.34Å; V110-L425 HydrophobicContact CG2-CG 4.4Å; L122-L425 HydrophobicContact CD2-CD1 4.38Å; L122-L425 HydrophobicContact CD2-CD2 4.25Å; W134-L425 HydrophobicContact CD2-CD1 4.14Å; W134-L425 HydrophobicContact CG-CD1 4.46Å; W134-L425 HydrophobicContact CH2-CD1 4.44Å; W134-L425 HydrophobicContact CZ2-CD1 3.54Å; S418-L425 CarbonylContact O-C 3.56Å; S418-L425 VanDerWaalsContact O-CA 3.26Å; S418-L425 WeakPolarHBondContact O-CA 3.27Å
426R95.9Very high94.6Very high47 Ų4735.5 Ų35.518%0.17715%0.148CC..EExtended strand (participates in β ladder)trans-118138.1173.6-68.2-177.6176.8-86.6-0.2109.9C99 S101 T102 G399 A417 S418 W428C99-R426 PolarHBondContact SG-NH1 2.75Å; C99-R426 VanDerWaalsContact SG-NH1 3.39Å; S101-R426 WeakPolarHBondContact O-CA 3.48Å; T102-R426 HydrophobicContact CG2-CG 4.47Å; T102-R426 PolarHBondContact OG1-NH1 2.9Å; G399-R426 PolarHBondContact O-NE 2.89Å; G399-R426 PolarHBondContact O-NH2 2.77Å; A417-R426 CarbonylContact C-O 3.53Å; A417-R426 WeakPolarHBondContact CA-O 3.44Å; S418-R426 PolarHBondContact N-O 3.39Å; S418-R426 PolarHBondContact O-N 2.75Å; R426-W428 HydrophobicContact CB-CZ2 4.25Å
427I96.3Very high94.5Very high0 Ų038.1 Ų38.10%016%0.159CC..EExtended strand (participates in β ladder)trans-107.2128.1172.6-53.7-58.6000108.1T100 S101 L103 L122 L136 R415 V416 A417 R429T100-I427 PolarHBondContact N-O 2.76Å; T100-I427 PolarHBondContact OG1-O 2.86Å; S101-I427 PolarHBondContact N-O 3.49Å; S101-I427 PolarHBondContact O-N 3.18Å; L103-I427 HydrophobicContact CD1-CD1 4.27Å; L103-I427 HydrophobicContact CD1-CG1 4.18Å; L103-I427 HydrophobicContact CG-CG1 4.42Å; L122-I427 HydrophobicContact CD2-CD1 4.05Å; L136-I427 HydrophobicContact CD2-CD1 3.81Å; L136-I427 HydrophobicContact CD2-CG1 4.27Å; R415-I427 HydrophobicContact CB-CG2 4.39Å; R415-I427 HydrophobicContact CG-CG2 4.13Å; V416-I427 WeakPolarHBondContact O-CA 3.28Å; A417-I427 HydrophobicContact CB-CD1 3.9Å; I427-R429 HydrophobicContact CG2-CG 4.3Å
428W95.6Very high94.3Very high3 Ų341 Ų411%0.01117%0.171CC..EExtended strand (participates in β ladder)trans-111.3133.2-179.8-50.379000108.9V96 R98 C99 L383 L397 P398 R415 V416 S418 R426V96-W428 HydrophobicContact CB-CB 4.13Å; V96-W428 HydrophobicContact CG1-CB 4.47Å; V96-W428 HydrophobicContact CG2-CB 4.32Å; R98-W428 VanDerWaalsContact O-CA 3.29Å; R98-W428 WeakPolarHBondContact O-CA 3.49Å; C99-W428 HydrophobicContact CB-CD2 4.22Å; C99-W428 HydrophobicContact CB-CE3 3.8Å; C99-W428 HydrophobicContact CB-CH2 4.06Å; C99-W428 HydrophobicContact CB-CZ2 4.45Å; C99-W428 HydrophobicContact CB-CZ3 3.71Å; C99-W428 VanDerWaalsContact N-CE3 3.3Å; L383-W428 HydrophobicContact CD1-CZ2 3.75Å; L397-W428 HydrophobicContact CB-CE3 3.9Å; L397-W428 HydrophobicContact CB-CH2 4.09Å; L397-W428 HydrophobicContact CB-CZ3 3.62Å; L397-W428 HydrophobicContact CD1-CD2 4.32Å; L397-W428 HydrophobicContact CD1-CE3 4.04Å; L397-W428 HydrophobicContact CD2-CE3 3.98Å; L397-W428 HydrophobicContact CD2-CZ3 4.2Å; L397-W428 HydrophobicContact CG-CE3 4.2Å; L397-W428 HydrophobicContact CG-CZ3 4.35Å; P398-W428 WeakPolarHBondContact O-CH2 3.37Å; R415-W428 WeakPolarHBondContact CA-O 3.21Å; V416-W428 HydrophobicContact CB-CB 4.16Å; V416-W428 PolarHBondContact N-O 2.88Å; V416-W428 PolarHBondContact O-N 2.88Å; S418-W428 PolarHBondContact OG-NE1 3.12Å; R426-W428 HydrophobicContact CB-CZ2 4.25Å
429R92.3Very high94.1Very high79 Ų7944.4 Ų44.430%0.29819%0.186SC..EExtended strand (participates in β ladder)trans-135.6178176.3-51.9-172.7-171.7-167.70.2109.2T97 R98 T100 E139 R415 I427T97-R429 PolarHBondContact N-O 3.47Å; R98-R429 PolarHBondContact N-O 3.42Å; R98-R429 PolarHBondContact O-N 3.11Å; R98-R429 VanDerWaalsContact O-O 3.11Å; T100-R429 HydrophobicContact CG2-CB 3.59Å; T100-R429 HydrophobicContact CG2-CG 3.74Å; E139-R429 IonicContact OE1-CZ 2.91Å; E139-R429 IonicContact OE1-NE 2.7Å; E139-R429 IonicContact OE1-NH2 2.59Å; E139-R429 PolarHBondContact OE1-NH2 3.15Å; R415-R429 HydrophobicContact CG-CG 3.9Å; I427-R429 HydrophobicContact CG2-CG 4.3Å
430R81.9Confident93.8Very high170 Ų17048.5 Ų48.564%0.64220%0.202SC*.  trans-65.80169.5-173.8177.9178.8-157.40111.6T97 R98T97-R430 VanDerWaalsContact OG1-CA 3.29Å; T97-R430 WeakPolarHBondContact OG1-CA 3.24Å; T97-R430 PolarHBondContact OG1-OXT 3.01Å; R98-R430 PolarHBondContact NH1-O 2.68Å; R98-R430 PolarHBondContact NH1-OXT 3.41Å; R98-R430 PolarHBondContact NH2-O 2.93Å

Retrieved 430 of 430 residues in 499.4 ms (Link to these results)

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