A0A087WRV7_MOUSE Loading...

Retinoblastoma binding protein 5, histone lysine methyltransferase complex subunit

AlphaFold DB , UniProt , Accession A0A087WRV7, Species MOUSE (Mus musculus, Mouse), Gene Rbbp5, Length 149 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
1M52.6Low86Confident202 Ų20286.2 Ų86.2100%0.99545%0.451SS*.  0132.60-147171-155.400107.6N19M1-N19 WeakPolarHBondContact O-CB 3.49Å; M1-N19 PolarHBondContact O-N 2.92Å
2A64.6Low86.6Confident61 Ų6182.8 Ų82.850%0.50444%0.436SS..EExtended strand (participates in β ladder)trans-83.9134.9172.600000108.9V16A2-V16 HydrophobicContact CB-CG1 3.48Å; A2-V16 VanDerWaalsContact CB-CG1 3.48Å
3L83.3Confident87.3Confident92 Ų9279 Ų7948%0.48242%0.416SS..EExtended strand (participates in β ladder)trans-99.1-28.6-179.4-73.3175.5000112.5G17 N19 P43L3-G17 PolarHBondContact N-O 3.48Å; L3-N19 HydrophobicContact CD1-CB 4.47Å; L3-P43 HydrophobicContact CD1-CB 3.31Å; L3-P43 HydrophobicContact CD1-CG 4.38Å
4T92.3Very high88Confident31 Ų3175.2 Ų75.219%0.1940%0.396CS..EExtended strand (participates in β ladder)trans-148149.6-178.1-171.90000110G17 V44 L47T4-G17 PolarHBondContact N-O 3.05Å; T4-G17 PolarHBondContact O-N 2.89Å; T4-V44 HydrophobicContact CG2-CG1 4.39Å; T4-L47 HydrophobicContact CG2-CB 4.3Å; T4-L47 HydrophobicContact CG2-CD1 3.97Å; T4-L47 HydrophobicContact CG2-CG 3.81Å
5C94.7Very high88.5Confident83 Ų8370.2 Ų70.256%0.56137%0.37SS*.EExtended strand (participates in β ladder)trans-147.3146.8172.663.60000110.2L14 A15 V16C5-L14 HydrophobicContact CB-CD1 4.09Å; C5-A15 CarbonylContact C-O 3.55Å; C5-A15 WeakPolarHBondContact CA-O 3.39Å; C5-V16 HydrophobicContact CB-CG2 4.18Å
6T95.9Very high89Confident39 Ų3967.6 Ų67.624%0.23936%0.357CS..EExtended strand (participates in β ladder)trans-152.1135.3-179.4-176.30000111.4A15 L47 W49T6-A15 HydrophobicContact CG2-CB 4.29Å; T6-A15 PolarHBondContact N-O 3.02Å; T6-A15 PolarHBondContact O-N 3.39Å; T6-L47 HydrophobicContact CG2-CB 3.64Å; T6-W49 PolarHBondContact O-NE1 3Å
7F95.1Very high89.4Confident107 Ų10763.6 Ų63.647%0.46934%0.336SS..EExtended strand (participates in β ladder)trans-81.3146.5174.2-80.3-82.7000110.6L13 L14 F28 W49F7-L13 WeakPolarHBondContact CA-O 3.49Å; F7-L14 HydrophobicContact CD1-CB 4.11Å; F7-L14 HydrophobicContact CD1-CD1 4.21Å; F7-L14 HydrophobicContact CD2-CD1 3.81Å; F7-L14 HydrophobicContact CE1-CB 3.94Å; F7-L14 HydrophobicContact CE1-CD1 4.2Å; F7-L14 HydrophobicContact CE2-CD1 3.79Å; F7-L14 HydrophobicContact CG-CD1 4.03Å; F7-L14 HydrophobicContact CZ-CB 4.37Å; F7-L14 HydrophobicContact CZ-CD1 3.99Å; F7-L14 HydrophobicContact CZ-CD2 4.41Å; F7-F28 AromaticContact CE1-CD2 3.84Å; F7-F28 HydrophobicContact CE1-CD2 3.84Å; F7-F28 AromaticContact CE1-CE2 3.38Å; F7-F28 HydrophobicContact CE1-CE2 3.38Å; F7-F28 AromaticContact CE1-CZ 3.98Å; F7-F28 HydrophobicContact CE1-CZ 3.98Å; F7-F28 AromaticContact CZ-CE2 3.77Å; F7-F28 HydrophobicContact CZ-CE2 3.77Å; F7-F28 AromaticContact CZ-CZ 3.91Å; F7-F28 HydrophobicContact CZ-CZ 3.91Å; F7-W49 VanDerWaalsContact C-CD1 3.4Å; F7-W49 VanDerWaalsContact O-CD1 3.23Å
8N94.1Very high89.7Confident8 Ų861.4 Ų61.44%0.04333%0.327CS..  trans-64.3164.6162.275.1-6.1000109.6W10 G11 T12 L13 W49N8-W10 PolarHBondContact O-N 2.95Å; N8-W10 PolarHBondContact OD1-N 2.89Å; N8-G11 PolarHBondContact O-N 3.06Å; N8-G11 WeakPolarHBondContact OD1-CA 3.37Å; N8-G11 PolarHBondContact OD1-N 2.75Å; N8-T12 PolarHBondContact ND2-OG1 3.36Å; N8-T12 PolarHBondContact OD1-N 3.43Å; N8-L13 HydrophobicContact CB-CB 4.34Å; N8-L13 PolarHBondContact N-O 2.94Å; N8-L13 PolarHBondContact OD1-N 2.71Å; N8-W49 HydrophobicContact CB-CD2 3.76Å; N8-W49 HydrophobicContact CB-CE3 3.99Å; N8-W49 HydrophobicContact CB-CG 4.07Å; N8-W49 HydrophobicContact CB-CZ2 4.34Å; N8-W49 HydrophobicContact CB-CZ3 4.33Å
9R90.6Very high89.9Confident146 Ų14662.6 Ų62.655%0.55133%0.333SS*.THydrogen-bonded Turntrans-58.5-22.5-177.467.8176.1-78.3-171.4-5.4115.2R51R9-R51 WeakPolarHBondContact CD-O 3.33Å; R9-R51 PolarHBondContact NH1-O 3.35Å
10W92.1Very high90.1Very high141 Ų14163.9 Ų63.953%0.53434%0.34SS..THydrogen-bonded Turntrans-95.2-7.2-176.8-62.6-74.3000112.4N8 T12 D52N8-W10 PolarHBondContact O-N 2.95Å; N8-W10 PolarHBondContact OD1-N 2.89Å; W10-T12 HydrophobicContact CB-CG2 4.29Å; W10-T12 PolarHBondContact O-N 3.13Å; W10-D52 WeakPolarHBondContact CH2-O 3.27Å; W10-D52 VanDerWaalsContact CZ3-C 3.46Å; W10-D52 WeakPolarHBondContact CZ3-O 3.34Å
11G91.3Very high90.2Very high38 Ų3860.9 Ų60.939%0.39232%0.324SS..SBendtrans70.712.1-177.700000114.5N8N8-G11 PolarHBondContact O-N 3.06Å; N8-G11 WeakPolarHBondContact OD1-CA 3.37Å; N8-G11 PolarHBondContact OD1-N 2.75Å
12T93.3Very high92.3Very high45 Ų4557 Ų5728%0.27630%0.298SS..SBendtrans-87.7-35.3-178.254.30000112.3N8 W10 F28 L29N8-T12 PolarHBondContact ND2-OG1 3.36Å; N8-T12 PolarHBondContact OD1-N 3.43Å; W10-T12 HydrophobicContact CB-CG2 4.29Å; W10-T12 PolarHBondContact O-N 3.13Å; T12-F28 PolarHBondContact O-N 2.93Å; T12-L29 HydrophobicContact CG2-CD1 4.38Å
13L95.6Very high93.8Very high34 Ų3454 Ų5418%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-116.7137.2-178.5-58.9177.1000110.6F7 N8 I25 W26 D27 W49 V70F7-L13 WeakPolarHBondContact CA-O 3.49Å; N8-L13 HydrophobicContact CB-CB 4.34Å; N8-L13 PolarHBondContact N-O 2.94Å; N8-L13 PolarHBondContact OD1-N 2.71Å; L13-I25 HydrophobicContact CB-CG2 4.38Å; L13-I25 HydrophobicContact CD2-CG2 4.34Å; L13-W26 CarbonylContact C-O 3.44Å; L13-W26 WeakPolarHBondContact CA-O 3.26Å; L13-D27 HydrophobicContact CD2-CB 3.72Å; L13-W49 HydrophobicContact CB-CH2 3.71Å; L13-W49 HydrophobicContact CB-CZ2 3.88Å; L13-W49 HydrophobicContact CD1-CH2 3.87Å; L13-W49 HydrophobicContact CD1-CZ3 4.2Å; L13-W49 HydrophobicContact CG-CH2 4.46Å; L13-V70 HydrophobicContact CD1-CG1 4.17Å
14L95.9Very high94.4Very high26 Ų2651 Ų5114%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-115.5120.6172.3176.170.1000109C5 F7 V16 I25 W26 F28C5-L14 HydrophobicContact CB-CD1 4.09Å; F7-L14 HydrophobicContact CD1-CB 4.11Å; F7-L14 HydrophobicContact CD1-CD1 4.21Å; F7-L14 HydrophobicContact CD2-CD1 3.81Å; F7-L14 HydrophobicContact CE1-CB 3.94Å; F7-L14 HydrophobicContact CE1-CD1 4.2Å; F7-L14 HydrophobicContact CE2-CD1 3.79Å; F7-L14 HydrophobicContact CG-CD1 4.03Å; F7-L14 HydrophobicContact CZ-CB 4.37Å; F7-L14 HydrophobicContact CZ-CD1 3.99Å; F7-L14 HydrophobicContact CZ-CD2 4.41Å; L14-V16 HydrophobicContact CD2-CG2 3.96Å; L14-V16 HydrophobicContact CG-CG2 3.9Å; L14-I25 CarbonylContact O-C 3.59Å; L14-I25 WeakPolarHBondContact O-CA 3.35Å; L14-W26 HydrophobicContact CB-CB 4.24Å; L14-W26 PolarHBondContact N-O 3.19Å; L14-W26 PolarHBondContact O-N 3.39Å; L14-F28 HydrophobicContact CB-CD2 4.48Å; L14-F28 HydrophobicContact CB-CE2 3.76Å; L14-F28 HydrophobicContact CD2-CE2 4.13Å; L14-F28 HydrophobicContact CD2-CZ 4.39Å
15A96.6Very high94.6Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-92.2133169.200000109.1C5 T6 I23 V24 L47 W49 L56C5-A15 CarbonylContact C-O 3.55Å; C5-A15 WeakPolarHBondContact CA-O 3.39Å; T6-A15 HydrophobicContact CG2-CB 4.29Å; T6-A15 PolarHBondContact N-O 3.02Å; T6-A15 PolarHBondContact O-N 3.39Å; A15-I23 HydrophobicContact CB-CG2 4.45Å; A15-V24 CarbonylContact C-O 3.56Å; A15-L47 HydrophobicContact CB-CD1 3.99Å; A15-W49 HydrophobicContact CB-CZ2 3.58Å; A15-L56 HydrophobicContact CB-CD1 3.89Å; A15-L56 HydrophobicContact CB-CD2 3.91Å
16V96.1Very high94.7Very high28 Ų2849.5 Ų49.517%0.1724%0.239CC..EExtended strand (participates in β ladder)trans-123.8123.8-180-176.90000108.7A2 C5 L14 I23 V24A2-V16 HydrophobicContact CB-CG1 3.48Å; A2-V16 VanDerWaalsContact CB-CG1 3.48Å; C5-V16 HydrophobicContact CB-CG2 4.18Å; L14-V16 HydrophobicContact CD2-CG2 3.96Å; L14-V16 HydrophobicContact CG-CG2 3.9Å; V16-I23 CarbonylContact O-C 3.56Å; V16-I23 VanDerWaalsContact O-CA 3.29Å; V16-I23 WeakPolarHBondContact O-CA 3.32Å; V16-V24 HydrophobicContact CB-CB 4.43Å; V16-V24 PolarHBondContact N-O 3Å; V16-V24 PolarHBondContact O-N 2.92Å
17G95.9Very high94.6Very high0 Ų048.9 Ų48.90%023%0.234CC..EExtended strand (participates in β ladder)trans-94.7121.3176.900000110.1L3 T4L3-G17 PolarHBondContact N-O 3.48Å; T4-G17 PolarHBondContact N-O 3.05Å; T4-G17 PolarHBondContact O-N 2.89Å
18C94.7Very high94.5Very high24 Ų2448 Ų4816%0.16223%0.23CC..EExtended strand (participates in β ladder)trans-97.7156.9-174-65.60000112.3D20 G21 R22 V44C18-D20 WeakPolarHBondContact CB-OD1 3.1Å; C18-D20 PolarHBondContact O-N 3.4Å; C18-G21 PolarHBondContact O-N 2.93Å; C18-R22 HydrophobicContact CB-CB 4.35Å; C18-R22 WeakPolarHBondContact CB-O 3.43Å; C18-R22 PolarHBondContact N-O 3.22Å; C18-V44 PolarHBondContact O-N 2.93Å; C18-V44 VanDerWaalsContact O-N 3.1Å
19N93.7Very high94.3Very high84 Ų8454.1 Ų54.145%0.44926%0.262SS..THydrogen-bonded Turntrans-67.5-18.9176.3-164.754.4000113.7M1 L3 G21 P43M1-N19 WeakPolarHBondContact O-CB 3.49Å; M1-N19 PolarHBondContact O-N 2.92Å; L3-N19 HydrophobicContact CD1-CB 4.47Å; N19-G21 VanDerWaalsContact C-N 3.26Å; N19-P43 WeakPolarHBondContact O-CG 3.2Å; N19-P43 WeakPolarHBondContact OD1-CB 3.18Å; N19-P43 WeakPolarHBondContact OD1-CG 3.47Å
20D93.6Very high94.3Very high89 Ų8951.9 Ų51.948%0.47627%0.265SS..THydrogen-bonded Turntrans-88.210.7175.666.5-12.4000112.8C18 R22C18-D20 WeakPolarHBondContact CB-OD1 3.1Å; C18-D20 PolarHBondContact O-N 3.4Å; D20-R22 VanDerWaalsContact C-N 3.26Å; D20-R22 PolarHBondContact O-N 2.87Å; D20-R22 WeakPolarHBondContact OD1-CB 3.04Å; D20-R22 PolarHBondContact OD1-N 3.23Å; D20-R22 WeakPolarHBondContact OD2-CD 2.83Å; D20-R22 IonicContact OD2-CZ 3.77Å; D20-R22 IonicContact OD2-NE 4Å; D20-R22 IonicContact OD2-NH1 2.83Å
21G93.3Very high94.4Very high0 Ų055 Ų550%028%0.276CS..SBendtrans79.33.1178.900000114.8C18 N19 A39 H40 H42C18-G21 PolarHBondContact O-N 2.93Å; N19-G21 VanDerWaalsContact C-N 3.26Å; G21-A39 PolarHBondContact O-N 2.92Å; G21-H40 WeakPolarHBondContact CA-O 3.23Å; G21-H40 PolarHBondContact O-N 3.21Å; G21-H42 WeakPolarHBondContact CA-O 2.97Å
22R95.9Very high94.5Very high120 Ų12054.2 Ų54.245%0.45327%0.268SS..EExtended strand (participates in β ladder)trans-82.5152.9174.6-63.6-179177.5161.5-3.1112C18 D20 I37C18-R22 HydrophobicContact CB-CB 4.35Å; C18-R22 WeakPolarHBondContact CB-O 3.43Å; C18-R22 PolarHBondContact N-O 3.22Å; D20-R22 VanDerWaalsContact C-N 3.26Å; D20-R22 PolarHBondContact O-N 2.87Å; D20-R22 WeakPolarHBondContact OD1-CB 3.04Å; D20-R22 PolarHBondContact OD1-N 3.23Å; D20-R22 WeakPolarHBondContact OD2-CD 2.83Å; D20-R22 IonicContact OD2-CZ 3.77Å; D20-R22 IonicContact OD2-NE 4Å; D20-R22 IonicContact OD2-NH1 2.83Å; R22-I37 CarbonylContact C-O 3.59Å; R22-I37 WeakPolarHBondContact CA-O 3.39Å
23I96.6Very high94.6Very high0 Ų056.9 Ų56.90%028%0.28CS..EExtended strand (participates in β ladder)trans-113.5124.9166.7-57.2169.1000107.6A15 V16 I36 I37 A39 V44 L47 L56 S58A15-I23 HydrophobicContact CB-CG2 4.45Å; V16-I23 CarbonylContact O-C 3.56Å; V16-I23 VanDerWaalsContact O-CA 3.29Å; V16-I23 WeakPolarHBondContact O-CA 3.32Å; I23-I36 WeakPolarHBondContact O-CA 3.41Å; I23-I37 HydrophobicContact CB-CB 4.29Å; I23-I37 PolarHBondContact N-O 2.89Å; I23-I37 PolarHBondContact O-N 2.8Å; I23-A39 HydrophobicContact CD1-CB 3.42Å; I23-A39 VanDerWaalsContact CD1-CB 3.42Å; I23-A39 HydrophobicContact CG1-CB 3.66Å; I23-V44 HydrophobicContact CG1-CG1 4.43Å; I23-V44 HydrophobicContact CG1-CG2 4.14Å; I23-L47 HydrophobicContact CD1-CD2 3.73Å; I23-L47 HydrophobicContact CG1-CD2 4.05Å; I23-L47 HydrophobicContact CG2-CD1 4.25Å; I23-L47 HydrophobicContact CG2-CD2 4.39Å; I23-L56 HydrophobicContact CD1-CD2 4.2Å; I23-L56 HydrophobicContact CG2-CD2 3.73Å; I23-S58 VanDerWaalsContact CD1-CB 3.49Å
24V96Very high94.5Very high28 Ų2858 Ų5817%0.1730%0.295CS..EExtended strand (participates in β ladder)trans-106.8126.6175.7-1770000108.1A15 V16 I33 I36A15-V24 CarbonylContact C-O 3.56Å; V16-V24 HydrophobicContact CB-CB 4.43Å; V16-V24 PolarHBondContact N-O 3Å; V16-V24 PolarHBondContact O-N 2.92Å; V24-I33 HydrophobicContact CG1-CD1 4.37Å; V24-I33 HydrophobicContact CG1-CG1 4.11Å; V24-I33 HydrophobicContact CG1-CG2 3.85Å; V24-I36 HydrophobicContact CG2-CG1 4.49Å
25I96.4Very high94.4Very high2 Ų259.7 Ų59.71%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-102.6119.1174.4-54.5-173.8000107.8L13 L14 A34 K35 I37 W49 V70L13-I25 HydrophobicContact CB-CG2 4.38Å; L13-I25 HydrophobicContact CD2-CG2 4.34Å; L14-I25 CarbonylContact O-C 3.59Å; L14-I25 WeakPolarHBondContact O-CA 3.35Å; I25-A34 HydrophobicContact CG2-CB 4.39Å; I25-A34 PolarHBondContact O-N 3.38Å; I25-K35 HydrophobicContact CB-CB 4.13Å; I25-K35 HydrophobicContact CD1-CB 4.45Å; I25-K35 HydrophobicContact CG1-CB 4.43Å; I25-K35 PolarHBondContact N-O 2.87Å; I25-K35 PolarHBondContact O-N 2.91Å; I25-K35 VanDerWaalsContact O-N 3.14Å; I25-I37 HydrophobicContact CD1-CD1 4Å; I25-W49 HydrophobicContact CD1-CH2 4.47Å; I25-W49 HydrophobicContact CG2-CH2 4.21Å; I25-V70 HydrophobicContact CD1-CB 4.45Å; I25-V70 HydrophobicContact CD1-CG1 3.84Å; I25-V70 HydrophobicContact CD1-CG2 4.38Å
26W95.6Very high94.4Very high81 Ų8164.3 Ų64.331%0.30732%0.324SS..EExtended strand (participates in β ladder)trans-104.2132.3178.2-143.677.8000109.8L13 L14 F28 R31L13-W26 CarbonylContact C-O 3.44Å; L13-W26 WeakPolarHBondContact CA-O 3.26Å; L14-W26 HydrophobicContact CB-CB 4.24Å; L14-W26 PolarHBondContact N-O 3.19Å; L14-W26 PolarHBondContact O-N 3.39Å; W26-F28 HydrophobicContact CE3-CD1 4.01Å; W26-F28 AromaticContact CE3-CD2 3.65Å; W26-F28 HydrophobicContact CE3-CD2 3.65Å; W26-F28 AromaticContact CE3-CE1 3.94Å; W26-F28 HydrophobicContact CE3-CE1 3.94Å; W26-F28 AromaticContact CE3-CE2 3.55Å; W26-F28 HydrophobicContact CE3-CE2 3.55Å; W26-F28 AromaticContact CE3-CG 3.87Å; W26-F28 HydrophobicContact CE3-CG 3.87Å; W26-F28 AromaticContact CE3-CZ 3.71Å; W26-F28 HydrophobicContact CE3-CZ 3.71Å; W26-F28 HydrophobicContact CZ3-CB 4.47Å; W26-F28 AromaticContact CZ3-CD1 3.53Å; W26-F28 HydrophobicContact CZ3-CD1 3.53Å; W26-F28 HydrophobicContact CZ3-CD2 4.04Å; W26-F28 AromaticContact CZ3-CE1 3.55Å; W26-F28 HydrophobicContact CZ3-CE1 3.55Å; W26-F28 HydrophobicContact CZ3-CE2 4.05Å; W26-F28 AromaticContact CZ3-CG 3.78Å; W26-F28 HydrophobicContact CZ3-CG 3.78Å; W26-F28 AromaticContact CZ3-CZ 3.82Å; W26-F28 HydrophobicContact CZ3-CZ 3.82Å; W26-R31 HydrophobicContact CH2-CB 4.21Å; W26-R31 VanDerWaalsContact CZ2-C 3.49Å; W26-R31 WeakPolarHBondContact CZ2-O 3.34Å
27D94.9Very high94.3Very high25 Ų2563.3 Ų63.313%0.13432%0.318CS..EExtended strand (participates in β ladder)trans-107.9119.8175.7172.821.1000109.6L13 L29 T30 R31 G32 A34L13-D27 HydrophobicContact CD2-CB 3.72Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 WeakPolarHBondContact OD1-CB 3.26Å; D27-L29 PolarHBondContact OD1-N 2.95Å; D27-T30 WeakPolarHBondContact CB-OG1 3.39Å; D27-T30 VanDerWaalsContact CG-OG1 3.27Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 VanDerWaalsContact OD2-CG2 3.26Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.26Å; D27-T30 PolarHBondContact OD2-N 3.22Å; D27-T30 PolarHBondContact OD2-OG1 2.99Å; D27-R31 WeakPolarHBondContact O-CA 3.41Å; D27-R31 PolarHBondContact O-N 2.85Å; D27-G32 PolarHBondContact N-O 3.29Å; D27-G32 PolarHBondContact O-N 2.76Å; D27-G32 VanDerWaalsContact O-N 3.13Å; D27-A34 HydrophobicContact CB-CB 3.9Å
28F91.5Very high94.3Very high88 Ų8867.7 Ų67.739%0.38635%0.349SS..THydrogen-bonded Turntrans-75.8-21.9-179.1-82.9-93.1000113.2F7 T12 L14 W26F7-F28 AromaticContact CE1-CD2 3.84Å; F7-F28 HydrophobicContact CE1-CD2 3.84Å; F7-F28 AromaticContact CE1-CE2 3.38Å; F7-F28 HydrophobicContact CE1-CE2 3.38Å; F7-F28 AromaticContact CE1-CZ 3.98Å; F7-F28 HydrophobicContact CE1-CZ 3.98Å; F7-F28 AromaticContact CZ-CE2 3.77Å; F7-F28 HydrophobicContact CZ-CE2 3.77Å; F7-F28 AromaticContact CZ-CZ 3.91Å; F7-F28 HydrophobicContact CZ-CZ 3.91Å; T12-F28 PolarHBondContact O-N 2.93Å; L14-F28 HydrophobicContact CB-CD2 4.48Å; L14-F28 HydrophobicContact CB-CE2 3.76Å; L14-F28 HydrophobicContact CD2-CE2 4.13Å; L14-F28 HydrophobicContact CD2-CZ 4.39Å; W26-F28 HydrophobicContact CE3-CD1 4.01Å; W26-F28 AromaticContact CE3-CD2 3.65Å; W26-F28 HydrophobicContact CE3-CD2 3.65Å; W26-F28 AromaticContact CE3-CE1 3.94Å; W26-F28 HydrophobicContact CE3-CE1 3.94Å; W26-F28 AromaticContact CE3-CE2 3.55Å; W26-F28 HydrophobicContact CE3-CE2 3.55Å; W26-F28 AromaticContact CE3-CG 3.87Å; W26-F28 HydrophobicContact CE3-CG 3.87Å; W26-F28 AromaticContact CE3-CZ 3.71Å; W26-F28 HydrophobicContact CE3-CZ 3.71Å; W26-F28 HydrophobicContact CZ3-CB 4.47Å; W26-F28 AromaticContact CZ3-CD1 3.53Å; W26-F28 HydrophobicContact CZ3-CD1 3.53Å; W26-F28 HydrophobicContact CZ3-CD2 4.04Å; W26-F28 AromaticContact CZ3-CE1 3.55Å; W26-F28 HydrophobicContact CZ3-CE1 3.55Å; W26-F28 HydrophobicContact CZ3-CE2 4.05Å; W26-F28 AromaticContact CZ3-CG 3.78Å; W26-F28 HydrophobicContact CZ3-CG 3.78Å; W26-F28 AromaticContact CZ3-CZ 3.82Å; W26-F28 HydrophobicContact CZ3-CZ 3.82Å
29L91.1Very high94.2Very high138 Ų13867 Ų6772%0.72334%0.344SS*.THydrogen-bonded Turntrans-70.4-45.8176.9-63.1174.8000110.4T12 D27T12-L29 HydrophobicContact CG2-CD1 4.38Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 WeakPolarHBondContact OD1-CB 3.26Å; D27-L29 PolarHBondContact OD1-N 2.95Å
30T91.3Very high94.3Very high99 Ų9963.8 Ų63.861%0.60733%0.327SS*.THydrogen-bonded Turntrans-86.1-8.4176.755.50000113.6D27 G32D27-T30 WeakPolarHBondContact CB-OG1 3.39Å; D27-T30 VanDerWaalsContact CG-OG1 3.27Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 VanDerWaalsContact OD2-CG2 3.26Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.26Å; D27-T30 PolarHBondContact OD2-N 3.22Å; D27-T30 PolarHBondContact OD2-OG1 2.99Å; T30-G32 PolarHBondContact O-N 2.96Å
31R92.3Very high94.3Very high205 Ų20566.5 Ų66.577%0.77434%0.34SS*.THydrogen-bonded Turntrans55.237.7-176.9-57.4-177.3176.7-171.3-0.8112.8W26 D27W26-R31 HydrophobicContact CH2-CB 4.21Å; W26-R31 VanDerWaalsContact CZ2-C 3.49Å; W26-R31 WeakPolarHBondContact CZ2-O 3.34Å; D27-R31 WeakPolarHBondContact O-CA 3.41Å; D27-R31 PolarHBondContact O-N 2.85Å
32G94.1Very high94.3Very high22 Ų2271.1 Ų71.123%0.22736%0.361CS..EExtended strand (participates in β ladder)trans-146.2173-17100000113.7D27 T30 A34D27-G32 PolarHBondContact N-O 3.29Å; D27-G32 PolarHBondContact O-N 2.76Å; D27-G32 VanDerWaalsContact O-N 3.13Å; T30-G32 PolarHBondContact O-N 2.96Å; G32-A34 PolarHBondContact O-N 3.5Å
33I95.4Very high94.2Very high102 Ų10266.7 Ų66.752%0.52335%0.348SS..EExtended strand (participates in β ladder)trans-75.3112.4170.3-63.2169.5000107.3V24 I36V24-I33 HydrophobicContact CG1-CD1 4.37Å; V24-I33 HydrophobicContact CG1-CG1 4.11Å; V24-I33 HydrophobicContact CG1-CG2 3.85Å; I33-I36 HydrophobicContact CG2-CD1 4.24Å; I33-I36 HydrophobicContact CG2-CG1 3.72Å
34A93.9Very high94.2Very high58 Ų5866.7 Ų66.748%0.47935%0.348SS..EExtended strand (participates in β ladder)trans-74.9-38.5173.300000110.9I25 D27 G32I25-A34 HydrophobicContact CG2-CB 4.39Å; I25-A34 PolarHBondContact O-N 3.38Å; D27-A34 HydrophobicContact CB-CB 3.9Å; G32-A34 PolarHBondContact O-N 3.5Å
35K94.3Very high94.1Very high60 Ų6067.2 Ų67.226%0.26135%0.352SS..EExtended strand (participates in β ladder)trans-156.9154.3-176.7-145.6156.8-158.5170.50114.5I25 I37 L71 S72 G73I25-K35 HydrophobicContact CB-CB 4.13Å; I25-K35 HydrophobicContact CD1-CB 4.45Å; I25-K35 HydrophobicContact CG1-CB 4.43Å; I25-K35 PolarHBondContact N-O 2.87Å; I25-K35 PolarHBondContact O-N 2.91Å; I25-K35 VanDerWaalsContact O-N 3.14Å; K35-I37 HydrophobicContact CG-CG1 4.4Å; K35-L71 PolarHBondContact NZ-O 3.5Å; K35-S72 PolarHBondContact NZ-O 2.86Å; K35-G73 VanDerWaalsContact NZ-N 3.12Å
36I95.4Very high94Very high97 Ų9767.6 Ų67.650%0.49736%0.355SS..EExtended strand (participates in β ladder)trans-128.8123.4169.8-55.2177.3000107.5I23 V24 I33I23-I36 WeakPolarHBondContact O-CA 3.41Å; V24-I36 HydrophobicContact CG2-CG1 4.49Å; I33-I36 HydrophobicContact CG2-CD1 4.24Å; I33-I36 HydrophobicContact CG2-CG1 3.72Å
37I95.4Very high94Very high7 Ų764.2 Ų64.24%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-115.5122.9-177.9-56.4173.6000108R22 I23 I25 K35 A39 W68R22-I37 CarbonylContact C-O 3.59Å; R22-I37 WeakPolarHBondContact CA-O 3.39Å; I23-I37 HydrophobicContact CB-CB 4.29Å; I23-I37 PolarHBondContact N-O 2.89Å; I23-I37 PolarHBondContact O-N 2.8Å; I25-I37 HydrophobicContact CD1-CD1 4Å; K35-I37 HydrophobicContact CG-CG1 4.4Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 HydrophobicContact CG2-CB 4.28Å; I37-A39 PolarHBondContact O-N 2.5Å; I37-W68 HydrophobicContact CG2-CD2 3.9Å; I37-W68 HydrophobicContact CG2-CE3 3.42Å; I37-W68 VanDerWaalsContact CG2-CE3 3.42Å; I37-W68 HydrophobicContact CG2-CH2 4.01Å; I37-W68 HydrophobicContact CG2-CZ2 4.43Å; I37-W68 HydrophobicContact CG2-CZ3 3.46Å; I37-W68 VanDerWaalsContact CG2-CZ3 3.46Å
38S94.8Very high94.1Very high93 Ų9364.1 Ų64.165%0.6534%0.344SS*.EExtended strand (participates in β ladder)trans-79.284.6172-64.80000109.2
39A93.6Very high94.3Very high8 Ų860.7 Ų60.77%0.06633%0.329CS..  trans-86.9-47.5-165.100000114G21 I23 I37 W68G21-A39 PolarHBondContact O-N 2.92Å; I23-A39 HydrophobicContact CD1-CB 3.42Å; I23-A39 VanDerWaalsContact CD1-CB 3.42Å; I23-A39 HydrophobicContact CG1-CB 3.66Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 HydrophobicContact CG2-CB 4.28Å; I37-A39 PolarHBondContact O-N 2.5Å; A39-W68 HydrophobicContact CB-CH2 4.02Å; A39-W68 HydrophobicContact CB-CZ2 3.41Å; A39-W68 VanDerWaalsContact CB-CZ2 3.41Å
40H94.2Very high94.5Very high18 Ų1854.3 Ų54.38%0.08330%0.295CS..  trans-134.1160-170.6-68.3-78.4000111.3G21 H42 V44 S58 S60 D62 I64G21-H40 WeakPolarHBondContact CA-O 3.23Å; G21-H40 PolarHBondContact O-N 3.21Å; H40-H42 WeakPolarHBondContact CB-O 3.48Å; H40-V44 HydrophobicContact CB-CG2 4.49Å; H40-S58 WeakPolarHBondContact NE2-CB 3.37Å; H40-S58 PolarHBondContact NE2-OG 2.91Å; H40-S60 WeakPolarHBondContact ND1-CB 3.26Å; H40-D62 WeakPolarHBondContact CB-OD2 3.49Å; H40-D62 IonicContact CE1-OD1 3.31Å; H40-D62 IonicContact CG-OD2 2.69Å; H40-D62 IonicContact ND1-OD1 2.89Å; H40-D62 PolarHBondContact ND1-OD1 2.8Å; H40-D62 IonicContact ND1-OD2 3.48Å; H40-D62 PolarHBondContact ND1-OD2 2.81Å; H40-I64 PolarHBondContact CE1-O 3.31Å; H40-I64 VanDerWaalsContact CE1-O 3.29Å
41I94.5Very high94.5Very high145 Ų14553.8 Ų53.874%0.74428%0.282SS*.SBendtrans-83.3-29.5173.4-60.3168.8000110.2D62I41-D62 PolarHBondContact N-OD2 3.01Å
42H93.8Very high94.5Very high97 Ų9745.9 Ų45.945%0.44926%0.255SS..SBendtrans-110.1169.5-179.3-74.7-45.6000111.1G21 H40 V44 S60 T61 D62G21-H42 WeakPolarHBondContact CA-O 2.97Å; H40-H42 WeakPolarHBondContact CB-O 3.48Å; H42-V44 PolarHBondContact O-N 3.11Å; H42-S60 VanDerWaalsContact C-OG 3.26Å; H42-S60 WeakPolarHBondContact CB-OG 3.41Å; H42-S60 PolarHBondContact O-OG 2.84Å; H42-S60 VanDerWaalsContact O-OG 3.04Å; H42-T61 WeakPolarHBondContact CB-OG1 3.49Å; H42-D62 HydrophobicContact CB-CB 3.99Å
43P93.8Very high94.4Very high28 Ų2845.1 Ų45.118%0.18225%0.247CC..  trans-53.7139.7-177.1-25.632.6000113.3L3 N19 C45 S60L3-P43 HydrophobicContact CD1-CB 3.31Å; L3-P43 HydrophobicContact CD1-CG 4.38Å; N19-P43 WeakPolarHBondContact O-CG 3.2Å; N19-P43 WeakPolarHBondContact OD1-CB 3.18Å; N19-P43 WeakPolarHBondContact OD1-CG 3.47Å; P43-C45 PolarHBondContact O-N 2.7Å; P43-S60 WeakPolarHBondContact O-CA 3.42Å; P43-S60 VanDerWaalsContact O-CB 3.26Å; P43-S60 WeakPolarHBondContact O-CB 3.43Å; P43-S60 PolarHBondContact O-OG 3.29Å
44V95.8Very high94.3Very high0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-79.6110.4174.5-173.90000108.7T4 C18 I23 H40 H42 L47T4-V44 HydrophobicContact CG2-CG1 4.39Å; C18-V44 PolarHBondContact O-N 2.93Å; C18-V44 VanDerWaalsContact O-N 3.1Å; I23-V44 HydrophobicContact CG1-CG1 4.43Å; I23-V44 HydrophobicContact CG1-CG2 4.14Å; H40-V44 HydrophobicContact CB-CG2 4.49Å; H42-V44 PolarHBondContact O-N 3.11Å; V44-L47 HydrophobicContact CG1-CD2 3.73Å; V44-L47 HydrophobicContact CG1-CG 3.92Å
45C93.8Very high94.3Very high38 Ų3844.3 Ų44.326%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-86.7-31.8-174.5-65.60000112.8P43 A59P43-C45 PolarHBondContact O-N 2.7Å; C45-A59 PolarHBondContact N-O 2.66Å
46S94.9Very high94.4Very high11 Ų1141.5 Ų41.58%0.07722%0.218CC..EExtended strand (participates in β ladder)trans-148144.7-176.9-177.80000111.3S58 A59 V88S46-S58 WeakPolarHBondContact O-CA 3.36Å; S46-A59 PolarHBondContact N-O 2.73Å; S46-A59 PolarHBondContact O-N 3.32Å; S46-V88 WeakPolarHBondContact OG-CG2 3.48Å; S46-V88 PolarHBondContact OG-N 2.78Å; S46-V88 PolarHBondContact OG-O 2.79Å
47L96.5Very high94.5Very high10 Ų1036.9 Ų36.95%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-133.8142177.4-70.9177.2000109.8T4 T6 A15 I23 V44 L56 V57 S58T4-L47 HydrophobicContact CG2-CB 4.3Å; T4-L47 HydrophobicContact CG2-CD1 3.97Å; T4-L47 HydrophobicContact CG2-CG 3.81Å; T6-L47 HydrophobicContact CG2-CB 3.64Å; A15-L47 HydrophobicContact CB-CD1 3.99Å; I23-L47 HydrophobicContact CD1-CD2 3.73Å; I23-L47 HydrophobicContact CG1-CD2 4.05Å; I23-L47 HydrophobicContact CG2-CD1 4.25Å; I23-L47 HydrophobicContact CG2-CD2 4.39Å; V44-L47 HydrophobicContact CG1-CD2 3.73Å; V44-L47 HydrophobicContact CG1-CG 3.92Å; L47-L56 HydrophobicContact CD2-CD2 4.01Å; L47-L56 HydrophobicContact CD2-CG 4.4Å; L47-V57 CarbonylContact C-O 3.59Å; L47-V57 WeakPolarHBondContact CA-O 3.42Å; L47-S58 VanDerWaalsContact CD2-CB 3.49Å
48C96.1Very high94.5Very high22 Ų2236.6 Ų36.615%0.14919%0.193CC..EExtended strand (participates in β ladder)trans-145.4131.8172.9-165.80000111.2V57 Y90C48-V57 PolarHBondContact N-O 3.42Å; C48-V57 PolarHBondContact O-N 2.85Å; C48-Y90 HydrophobicContact CB-CD2 4.25Å; C48-Y90 WeakPolarHBondContact O-CD2 3.42Å; C48-Y90 WeakPolarHBondContact O-CE2 3.45Å; C48-Y90 PolarHBondContact SG-N 2.9Å
49W96.3Very high94.5Very high17 Ų1732.1 Ų32.16%0.06416%0.162CC..EExtended strand (participates in β ladder)trans-80144.6173.9-69.693.7000111.2T6 F7 N8 L13 A15 I25 G53 L56 V70 Y90T6-W49 PolarHBondContact O-NE1 3Å; F7-W49 VanDerWaalsContact C-CD1 3.4Å; F7-W49 VanDerWaalsContact O-CD1 3.23Å; N8-W49 HydrophobicContact CB-CD2 3.76Å; N8-W49 HydrophobicContact CB-CE3 3.99Å; N8-W49 HydrophobicContact CB-CG 4.07Å; N8-W49 HydrophobicContact CB-CZ2 4.34Å; N8-W49 HydrophobicContact CB-CZ3 4.33Å; L13-W49 HydrophobicContact CB-CH2 3.71Å; L13-W49 HydrophobicContact CB-CZ2 3.88Å; L13-W49 HydrophobicContact CD1-CH2 3.87Å; L13-W49 HydrophobicContact CD1-CZ3 4.2Å; L13-W49 HydrophobicContact CG-CH2 4.46Å; A15-W49 HydrophobicContact CB-CZ2 3.58Å; I25-W49 HydrophobicContact CD1-CH2 4.47Å; I25-W49 HydrophobicContact CG2-CH2 4.21Å; W49-G53 VanDerWaalsContact CZ3-O 3.32Å; W49-G53 WeakPolarHBondContact CZ3-O 3.21Å; W49-L56 HydrophobicContact CD2-CD1 3.65Å; W49-L56 HydrophobicContact CE3-CD1 4.13Å; W49-L56 HydrophobicContact CG-CD1 3.84Å; W49-L56 HydrophobicContact CZ2-CD1 4.37Å; W49-V70 HydrophobicContact CE3-CG2 4.11Å; W49-V70 HydrophobicContact CH2-CG1 4.06Å; W49-V70 HydrophobicContact CH2-CG2 4.06Å; W49-V70 HydrophobicContact CZ3-CB 4.21Å; W49-V70 HydrophobicContact CZ3-CG1 3.91Å; W49-V70 HydrophobicContact CZ3-CG2 3.39Å; W49-Y90 VanDerWaalsContact C-CD2 3.43Å; W49-Y90 WeakPolarHBondContact O-CD2 3.4Å
50S94.9Very high94.6Very high3 Ų331.8 Ų31.82%0.02116%0.159CC..  trans-66.1159.4163.660.70000110.7D52 G53 H54 K55S50-D52 VanDerWaalsContact CB-OD1 3.26Å; S50-D52 WeakPolarHBondContact CB-OD1 3.32Å; S50-D52 PolarHBondContact O-N 2.67Å; S50-D52 PolarHBondContact OG-OD1 2.9Å; S50-G53 PolarHBondContact O-N 2.8Å; S50-G53 PolarHBondContact OG-N 3.14Å; S50-H54 PolarHBondContact OG-N 3.46Å; S50-K55 PolarHBondContact N-O 2.99Å; S50-K55 PolarHBondContact OG-N 2.92Å; S50-K55 PolarHBondContact OG-O 2.93Å
51R91.8Very high94.5Very high89 Ų8933.3 Ų33.334%0.33617%0.17SC..THydrogen-bonded Turntrans-64.8-20.9-179-161.9-160.1173.481.94.5113.5R9 P92 R93R9-R51 WeakPolarHBondContact CD-O 3.33Å; R9-R51 PolarHBondContact NH1-O 3.35Å; R51-P92 WeakPolarHBondContact CD-O 3.38Å; R51-P92 WeakPolarHBondContact CG-O 3.37Å; R51-P92 PolarHBondContact NH1-O 3.43Å; R51-R93 VanDerWaalsContact NH2-NH1 3.12Å
52D91.7Very high94.4Very high39 Ų3927.2 Ų27.221%0.20914%0.138CC..THydrogen-bonded Turntrans-96.11173.361.7-0.2000112.5W10 S50 H54 Q95W10-D52 WeakPolarHBondContact CH2-O 3.27Å; W10-D52 VanDerWaalsContact CZ3-C 3.46Å; W10-D52 WeakPolarHBondContact CZ3-O 3.34Å; S50-D52 VanDerWaalsContact CB-OD1 3.26Å; S50-D52 WeakPolarHBondContact CB-OD1 3.32Å; S50-D52 PolarHBondContact O-N 2.67Å; S50-D52 PolarHBondContact OG-OD1 2.9Å; D52-H54 PolarHBondContact O-CD2 2.83Å; D52-H54 PolarHBondContact O-N 3.22Å; D52-H54 PolarHBondContact OD1-N 2.89Å; D52-H54 IonicContact OD2-CD2 3.73Å; D52-Q95 PolarHBondContact OD2-NE2 2.96Å; D52-Q95 PolarHBondContact OD2-OE1 2.92Å
53G91.7Very high94.4Very high5 Ų524.1 Ų24.15%0.05213%0.125CC..SBendtrans60.99.3179.500000115.7W49 S50W49-G53 VanDerWaalsContact CZ3-O 3.32Å; W49-G53 WeakPolarHBondContact CZ3-O 3.21Å; S50-G53 PolarHBondContact O-N 2.8Å; S50-G53 PolarHBondContact OG-N 3.14Å
54H92.8Very high94.4Very high93 Ų9324.3 Ų24.343%0.43112%0.124SC..SBendtrans-87.8-24.2177.9-66.9-54.3000112.6S50 D52 V70S50-H54 PolarHBondContact OG-N 3.46Å; D52-H54 PolarHBondContact O-CD2 2.83Å; D52-H54 PolarHBondContact O-N 3.22Å; D52-H54 PolarHBondContact OD1-N 2.89Å; D52-H54 IonicContact OD2-CD2 3.73Å; H54-V70 WeakPolarHBondContact O-CB 3.23Å; H54-V70 WeakPolarHBondContact O-CG2 3.48Å; H54-V70 PolarHBondContact O-N 2.82Å
55K95.1Very high94.4Very high50 Ų5024.4 Ų24.422%0.21713%0.125CC..EExtended strand (participates in β ladder)trans-117.3150.9179.6-56.1-61.7-169.4-178.50111.2S50 Q67 W68 D69 D76 Y90S50-K55 PolarHBondContact N-O 2.99Å; S50-K55 PolarHBondContact OG-N 2.92Å; S50-K55 PolarHBondContact OG-O 2.93Å; K55-Q67 HydrophobicContact CB-CG 4.48Å; K55-W68 CarbonylContact C-O 3.54Å; K55-W68 VanDerWaalsContact CA-O 3.27Å; K55-W68 WeakPolarHBondContact CA-O 3.24Å; K55-D69 HydrophobicContact CD-CB 4.38Å; K55-D69 IonicContact NZ-OD2 3.56Å; K55-D69 PolarHBondContact NZ-OD2 2.97Å; K55-D76 WeakPolarHBondContact CD-OD2 3.44Å; K55-D76 VanDerWaalsContact CE-OD2 3.26Å; K55-D76 WeakPolarHBondContact CE-OD2 3.29Å; K55-D76 IonicContact NZ-OD1 2.66Å; K55-D76 IonicContact NZ-OD2 3.76Å; K55-D76 PolarHBondContact NZ-OD2 2.81Å; K55-Y90 WeakPolarHBondContact CB-OH 3.49Å
56L96.1Very high94.5Very high1 Ų122.6 Ų22.61%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-128.6137.9174.2-169.175.7000108.7A15 I23 L47 W49 Q67 W68 V70A15-L56 HydrophobicContact CB-CD1 3.89Å; A15-L56 HydrophobicContact CB-CD2 3.91Å; I23-L56 HydrophobicContact CD1-CD2 4.2Å; I23-L56 HydrophobicContact CG2-CD2 3.73Å; L47-L56 HydrophobicContact CD2-CD2 4.01Å; L47-L56 HydrophobicContact CD2-CG 4.4Å; W49-L56 HydrophobicContact CD2-CD1 3.65Å; W49-L56 HydrophobicContact CE3-CD1 4.13Å; W49-L56 HydrophobicContact CG-CD1 3.84Å; W49-L56 HydrophobicContact CZ2-CD1 4.37Å; L56-Q67 CarbonylContact O-C 3.59Å; L56-Q67 WeakPolarHBondContact O-CA 3.31Å; L56-W68 HydrophobicContact CB-CB 4.43Å; L56-W68 PolarHBondContact N-O 2.78Å; L56-W68 PolarHBondContact O-N 2.83Å; L56-V70 HydrophobicContact CB-CG2 4.12Å
57V96.4Very high94.5Very high1 Ų123.1 Ų23.11%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-110133.9168.5166.40000108.7L47 C48 V65 S66 Q67 V88 Y90 V98L47-V57 CarbonylContact C-O 3.59Å; L47-V57 WeakPolarHBondContact CA-O 3.42Å; C48-V57 PolarHBondContact N-O 3.42Å; C48-V57 PolarHBondContact O-N 2.85Å; V57-V65 HydrophobicContact CG1-CG1 3.46Å; V57-V65 VanDerWaalsContact CG1-CG1 3.46Å; V57-S66 WeakPolarHBondContact CA-O 3.49Å; V57-Q67 HydrophobicContact CG2-CB 4.17Å; V57-Q67 HydrophobicContact CG2-CG 4.21Å; V57-V88 HydrophobicContact CG1-CB 4Å; V57-V88 HydrophobicContact CG1-CG1 4.36Å; V57-V88 HydrophobicContact CG1-CG2 3.93Å; V57-Y90 HydrophobicContact CB-CD2 4.24Å; V57-Y90 HydrophobicContact CB-CE2 3.66Å; V57-Y90 HydrophobicContact CG2-CD2 4.21Å; V57-Y90 HydrophobicContact CG2-CE1 4.11Å; V57-Y90 HydrophobicContact CG2-CE2 3.34Å; V57-Y90 VanDerWaalsContact CG2-OH 3.25Å; V57-Y90 WeakPolarHBondContact CG2-OH 3.29Å; V57-V98 HydrophobicContact CG1-CG1 4.12Å; V57-V98 HydrophobicContact CG2-CG2 4.14Å
58S96.4Very high94.5Very high0 Ų023 Ų230%011%0.113CC..EExtended strand (participates in β ladder)trans-122.2149.8176.464.60000111.1I23 H40 S46 L47 V65 S66 W68I23-S58 VanDerWaalsContact CD1-CB 3.49Å; H40-S58 WeakPolarHBondContact NE2-CB 3.37Å; H40-S58 PolarHBondContact NE2-OG 2.91Å; S46-S58 WeakPolarHBondContact O-CA 3.36Å; L47-S58 VanDerWaalsContact CD2-CB 3.49Å; S58-V65 VanDerWaalsContact O-CA 3.29Å; S58-V65 WeakPolarHBondContact O-CA 3.47Å; S58-V65 WeakPolarHBondContact O-CG1 3.44Å; S58-S66 PolarHBondContact N-O 3.21Å; S58-S66 PolarHBondContact O-N 3.38Å; S58-W68 PolarHBondContact OG-NE1 2.98Å
59A95.1Very high94.4Very high0 Ų023.2 Ų23.20%011%0.113CC..EExtended strand (participates in β ladder)trans-134149.1172.200000111.2C45 S46 V65 I85 V88C45-A59 PolarHBondContact N-O 2.66Å; S46-A59 PolarHBondContact N-O 2.73Å; S46-A59 PolarHBondContact O-N 3.32Å; A59-V65 HydrophobicContact CB-CG2 4.43Å; A59-I85 HydrophobicContact CB-CB 3.92Å; A59-I85 HydrophobicContact CB-CG2 3.53Å; A59-V88 HydrophobicContact CB-CB 4.25Å; A59-V88 HydrophobicContact CB-CG1 3.46Å; A59-V88 VanDerWaalsContact CB-CG1 3.46Å; A59-V88 HydrophobicContact CB-CG2 3.77Å
60S94.4Very high94.3Very high0 Ų023.1 Ų23.10%011%0.114CC..EExtended strand (participates in β ladder)trans-141.2166-177.5175.60000111.9H40 H42 P43 D62 N63 I64 I85H40-S60 WeakPolarHBondContact ND1-CB 3.26Å; H42-S60 VanDerWaalsContact C-OG 3.26Å; H42-S60 WeakPolarHBondContact CB-OG 3.41Å; H42-S60 PolarHBondContact O-OG 2.84Å; H42-S60 VanDerWaalsContact O-OG 3.04Å; P43-S60 WeakPolarHBondContact O-CA 3.42Å; P43-S60 VanDerWaalsContact O-CB 3.26Å; P43-S60 WeakPolarHBondContact O-CB 3.43Å; P43-S60 PolarHBondContact O-OG 3.29Å; S60-D62 VanDerWaalsContact CB-OD1 3.25Å; S60-D62 WeakPolarHBondContact CB-OD1 3.19Å; S60-D62 PolarHBondContact O-N 2.78Å; S60-D62 PolarHBondContact OG-N 2.94Å; S60-N63 PolarHBondContact O-N 2.85Å; S60-I64 PolarHBondContact N-O 2.86Å; S60-I85 PolarHBondContact O-N 2.69Å
61T92.1Very high94.1Very high51 Ų5129.3 Ų29.331%0.31315%0.146SC..THydrogen-bonded Turntrans-71.30.9169.146.40000113.7H42 N63 P84H42-T61 WeakPolarHBondContact CB-OG1 3.49Å; T61-N63 PolarHBondContact O-N 3.13Å; T61-N63 PolarHBondContact O-OD1 2.7Å; T61-P84 HydrophobicContact CG2-CB 4.24Å
62D92.7Very high94.1Very high16 Ų1627.6 Ų27.69%0.08615%0.147CC..THydrogen-bonded Turntrans-77.14.1165.366.37.5000114.4H40 I41 H42 S60 I64H40-D62 WeakPolarHBondContact CB-OD2 3.49Å; H40-D62 IonicContact CE1-OD1 3.31Å; H40-D62 IonicContact CG-OD2 2.69Å; H40-D62 IonicContact ND1-OD1 2.89Å; H40-D62 PolarHBondContact ND1-OD1 2.8Å; H40-D62 IonicContact ND1-OD2 3.48Å; H40-D62 PolarHBondContact ND1-OD2 2.81Å; I41-D62 PolarHBondContact N-OD2 3.01Å; H42-D62 HydrophobicContact CB-CB 3.99Å; S60-D62 VanDerWaalsContact CB-OD1 3.25Å; S60-D62 WeakPolarHBondContact CB-OD1 3.19Å; S60-D62 PolarHBondContact O-N 2.78Å; S60-D62 PolarHBondContact OG-N 2.94Å; D62-I64 PolarHBondContact O-N 2.84Å; D62-I64 WeakPolarHBondContact OD1-CA 3.41Å; D62-I64 VanDerWaalsContact OD1-CB 3.27Å; D62-I64 WeakPolarHBondContact OD1-CB 3.43Å; D62-I64 PolarHBondContact OD1-N 2.84Å
63N93.3Very high94Very high32 Ų3226.4 Ų26.417%0.17115%0.145CC..SBendtrans6622.1-177.7-46.2-10.2000113.3S60 T61 F81 S83 P84S60-N63 PolarHBondContact O-N 2.85Å; T61-N63 PolarHBondContact O-N 3.13Å; T61-N63 PolarHBondContact O-OD1 2.7Å; N63-F81 VanDerWaalsContact CB-O 3.23Å; N63-F81 WeakPolarHBondContact CB-O 3.35Å; N63-F81 PolarHBondContact O-N 3.25Å; N63-S83 WeakPolarHBondContact CB-O 3.26Å; N63-S83 VanDerWaalsContact CG-C 3.46Å; N63-S83 VanDerWaalsContact OD1-C 3.32Å; N63-P84 WeakPolarHBondContact OD1-CA 3.48Å; N63-P84 WeakPolarHBondContact OD1-CD 3.25Å; N63-P84 WeakPolarHBondContact OD1-CG 3.42Å
64I94.6Very high94.2Very high32 Ų3231 Ų3116%0.16417%0.168CC..EExtended strand (participates in β ladder)trans-111.8133.9180-56.2174.8000109.9H40 S60 D62 S66 R78 F79H40-I64 PolarHBondContact CE1-O 3.31Å; H40-I64 VanDerWaalsContact CE1-O 3.29Å; S60-I64 PolarHBondContact N-O 2.86Å; D62-I64 PolarHBondContact O-N 2.84Å; D62-I64 WeakPolarHBondContact OD1-CA 3.41Å; D62-I64 VanDerWaalsContact OD1-CB 3.27Å; D62-I64 WeakPolarHBondContact OD1-CB 3.43Å; D62-I64 PolarHBondContact OD1-N 2.84Å; I64-S66 WeakPolarHBondContact CG2-OG 3.35Å; I64-R78 HydrophobicContact CG2-CB 4.31Å; I64-F79 CarbonylContact C-O 3.52Å; I64-F79 WeakPolarHBondContact CA-O 2.93Å
65V95.4Very high94.3Very high2 Ų228.4 Ų28.41%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-101.5129.7159-175.70000108.1V57 S58 A59 R78 F79 F81 I85 V88 V100V57-V65 HydrophobicContact CG1-CG1 3.46Å; V57-V65 VanDerWaalsContact CG1-CG1 3.46Å; S58-V65 VanDerWaalsContact O-CA 3.29Å; S58-V65 WeakPolarHBondContact O-CA 3.47Å; S58-V65 WeakPolarHBondContact O-CG1 3.44Å; A59-V65 HydrophobicContact CB-CG2 4.43Å; V65-R78 CarbonylContact O-C 3.48Å; V65-R78 WeakPolarHBondContact O-CA 3.35Å; V65-F79 HydrophobicContact CB-CB 4.33Å; V65-F79 PolarHBondContact N-O 2.85Å; V65-F79 PolarHBondContact O-N 2.8Å; V65-F81 HydrophobicContact CB-CE2 4.19Å; V65-F81 HydrophobicContact CG2-CD2 4Å; V65-F81 HydrophobicContact CG2-CE2 3.59Å; V65-F81 HydrophobicContact CG2-CZ 4.46Å; V65-I85 HydrophobicContact CB-CD1 4.41Å; V65-I85 HydrophobicContact CG2-CD1 3.17Å; V65-I85 HydrophobicContact CG2-CG1 4.49Å; V65-I85 HydrophobicContact CG2-CG2 4.34Å; V65-V88 HydrophobicContact CG1-CG1 4.17Å; V65-V88 HydrophobicContact CG2-CG1 4.03Å; V65-V100 HydrophobicContact CG2-CG1 3.9Å; V65-V100 HydrophobicContact CG2-CG2 4.17Å
66S95.4Very high94.1Very high0 Ų029.5 Ų29.50%017%0.168CC..EExtended strand (participates in β ladder)trans-122.6138.7178.2-61.20000110.3V57 S58 I64 W68 Q77V57-S66 WeakPolarHBondContact CA-O 3.49Å; S58-S66 PolarHBondContact N-O 3.21Å; S58-S66 PolarHBondContact O-N 3.38Å; I64-S66 WeakPolarHBondContact CG2-OG 3.35Å; S66-W68 VanDerWaalsContact CB-NE1 3.32Å; S66-Q77 WeakPolarHBondContact CA-O 3.49Å
67Q96Very high93.9Very high22 Ų2232 Ų3210%0.10318%0.18CC..EExtended strand (participates in β ladder)trans-100.7134.5167.8-174.4-179.533.200109.1K55 L56 V57 C75 D76 Q77 Y90K55-Q67 HydrophobicContact CB-CG 4.48Å; L56-Q67 CarbonylContact O-C 3.59Å; L56-Q67 WeakPolarHBondContact O-CA 3.31Å; V57-Q67 HydrophobicContact CG2-CB 4.17Å; V57-Q67 HydrophobicContact CG2-CG 4.21Å; Q67-C75 CarbonylContact O-C 3.58Å; Q67-D76 PolarHBondContact O-N 2.87Å; Q67-Q77 HydrophobicContact CB-CB 4.25Å; Q67-Q77 PolarHBondContact N-O 2.92Å; Q67-Y90 PolarHBondContact NE2-OH 3.44Å
68W96Very high93.8Very high7 Ų739.2 Ų39.23%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-123.6140.2-176.5-53.890.6000110.7I37 A39 K55 L56 S58 S66 D74 C75I37-W68 HydrophobicContact CG2-CD2 3.9Å; I37-W68 HydrophobicContact CG2-CE3 3.42Å; I37-W68 VanDerWaalsContact CG2-CE3 3.42Å; I37-W68 HydrophobicContact CG2-CH2 4.01Å; I37-W68 HydrophobicContact CG2-CZ2 4.43Å; I37-W68 HydrophobicContact CG2-CZ3 3.46Å; I37-W68 VanDerWaalsContact CG2-CZ3 3.46Å; A39-W68 HydrophobicContact CB-CH2 4.02Å; A39-W68 HydrophobicContact CB-CZ2 3.41Å; A39-W68 VanDerWaalsContact CB-CZ2 3.41Å; K55-W68 CarbonylContact C-O 3.54Å; K55-W68 VanDerWaalsContact CA-O 3.27Å; K55-W68 WeakPolarHBondContact CA-O 3.24Å; L56-W68 HydrophobicContact CB-CB 4.43Å; L56-W68 PolarHBondContact N-O 2.78Å; L56-W68 PolarHBondContact O-N 2.83Å; S58-W68 PolarHBondContact OG-NE1 2.98Å; S66-W68 VanDerWaalsContact CB-NE1 3.32Å; W68-D74 WeakPolarHBondContact CA-O 3.42Å; W68-C75 HydrophobicContact CD2-CB 4.45Å; W68-C75 HydrophobicContact CE3-CB 3.75Å; W68-C75 HydrophobicContact CH2-CB 3.79Å; W68-C75 HydrophobicContact CZ2-CB 4.47Å; W68-C75 HydrophobicContact CZ3-CB 3.4Å; W68-C75 VanDerWaalsContact CZ3-CB 3.4Å
69D94.9Very high93.6Very high28 Ų2840.2 Ų40.215%0.1521%0.211CC..EExtended strand (participates in β ladder)trans-80.9125.6161.9-168.9-74.8000109.6K55 L71 S72 G73 D74K55-D69 HydrophobicContact CD-CB 4.38Å; K55-D69 IonicContact NZ-OD2 3.56Å; K55-D69 PolarHBondContact NZ-OD2 2.97Å; D69-L71 WeakPolarHBondContact OD1-CA 3.26Å; D69-L71 WeakPolarHBondContact OD1-CB 3.29Å; D69-L71 PolarHBondContact OD1-N 2.84Å; D69-S72 WeakPolarHBondContact CB-OG 3.13Å; D69-S72 PolarHBondContact OD1-N 3.01Å; D69-G73 WeakPolarHBondContact O-CA 3.32Å; D69-G73 PolarHBondContact O-N 2.81Å; D69-D74 PolarHBondContact N-O 2.85Å
70V92.8Very high93.5Very high14 Ų1449.1 Ų49.19%0.08525%0.245CC..THydrogen-bonded Turntrans-73.1-35.4-175.7170.60000111.3L13 I25 W49 H54 L56L13-V70 HydrophobicContact CD1-CG1 4.17Å; I25-V70 HydrophobicContact CD1-CB 4.45Å; I25-V70 HydrophobicContact CD1-CG1 3.84Å; I25-V70 HydrophobicContact CD1-CG2 4.38Å; W49-V70 HydrophobicContact CE3-CG2 4.11Å; W49-V70 HydrophobicContact CH2-CG1 4.06Å; W49-V70 HydrophobicContact CH2-CG2 4.06Å; W49-V70 HydrophobicContact CZ3-CB 4.21Å; W49-V70 HydrophobicContact CZ3-CG1 3.91Å; W49-V70 HydrophobicContact CZ3-CG2 3.39Å; H54-V70 WeakPolarHBondContact O-CB 3.23Å; H54-V70 WeakPolarHBondContact O-CG2 3.48Å; H54-V70 PolarHBondContact O-N 2.82Å; L56-V70 HydrophobicContact CB-CG2 4.12Å
71L90.7Very high93.3Very high133 Ų13350.1 Ų50.170%0.69625%0.249SC*.THydrogen-bonded Turntrans-75.2-48-177.7-67.3174000110.9K35 D69K35-L71 PolarHBondContact NZ-O 3.5Å; D69-L71 WeakPolarHBondContact OD1-CA 3.26Å; D69-L71 WeakPolarHBondContact OD1-CB 3.29Å; D69-L71 PolarHBondContact OD1-N 2.84Å
72S92.7Very high93.2Very high53 Ų5353.5 Ų53.537%0.37127%0.272SS..THydrogen-bonded Turntrans-83.4-28.4-179.2880000112.6K35 D69 D74K35-S72 PolarHBondContact NZ-O 2.86Å; D69-S72 WeakPolarHBondContact CB-OG 3.13Å; D69-S72 PolarHBondContact OD1-N 3.01Å; S72-D74 WeakPolarHBondContact CB-OD2 3.39Å; S72-D74 WeakPolarHBondContact OG-CB 3.34Å; S72-D74 VanDerWaalsContact OG-CG 3.25Å; S72-D74 PolarHBondContact OG-N 2.9Å; S72-D74 VanDerWaalsContact OG-N 3.13Å; S72-D74 PolarHBondContact OG-OD2 3.06Å
73G90.6Very high93Very high15 Ų1553.6 Ų53.616%0.15527%0.274CS..  trans78.15.5-176.300000113.1K35 D69K35-G73 VanDerWaalsContact NZ-N 3.12Å; D69-G73 WeakPolarHBondContact O-CA 3.32Å; D69-G73 PolarHBondContact O-N 2.81Å
74D94.1Very high92.8Very high100 Ų10053.8 Ų53.854%0.53528%0.277SS..  trans-82.4155.3-178.4-58.7-49.6000111.2W68 D69 S72W68-D74 WeakPolarHBondContact CA-O 3.42Å; D69-D74 PolarHBondContact N-O 2.85Å; S72-D74 WeakPolarHBondContact CB-OD2 3.39Å; S72-D74 WeakPolarHBondContact OG-CB 3.34Å; S72-D74 VanDerWaalsContact OG-CG 3.25Å; S72-D74 PolarHBondContact OG-N 2.9Å; S72-D74 VanDerWaalsContact OG-N 3.13Å; S72-D74 PolarHBondContact OG-OD2 3.06Å
75C94.8Very high92.7Very high39 Ų3952.2 Ų52.226%0.26427%0.269SS..EExtended strand (participates in β ladder)trans-86.8111.3173.1-162.30000108.8Q67 W68 Q77 R78Q67-C75 CarbonylContact O-C 3.58Å; W68-C75 HydrophobicContact CD2-CB 4.45Å; W68-C75 HydrophobicContact CE3-CB 3.75Å; W68-C75 HydrophobicContact CH2-CB 3.79Å; W68-C75 HydrophobicContact CZ2-CB 4.47Å; W68-C75 HydrophobicContact CZ3-CB 3.4Å; W68-C75 VanDerWaalsContact CZ3-CB 3.4Å; C75-Q77 PolarHBondContact SG-O 2.95Å; C75-R78 WeakPolarHBondContact SG-CG 3.19Å; C75-R78 PolarHBondContact SG-NE 2.91Å
76D92.3Very high92.4Very high73 Ų7355.9 Ų55.939%0.3929%0.288SS..EExtended strand (participates in β ladder)trans-73.5-44.9176.9-64.8-41.3000110.9K55 Q67K55-D76 WeakPolarHBondContact CD-OD2 3.44Å; K55-D76 VanDerWaalsContact CE-OD2 3.26Å; K55-D76 WeakPolarHBondContact CE-OD2 3.29Å; K55-D76 IonicContact NZ-OD1 2.66Å; K55-D76 IonicContact NZ-OD2 3.76Å; K55-D76 PolarHBondContact NZ-OD2 2.81Å; Q67-D76 PolarHBondContact O-N 2.87Å
77Q91.5Very high92.2Very high53 Ų5358.9 Ų58.925%0.24830%0.301CS..EExtended strand (participates in β ladder)trans-145.3148.3-172.9-61.9-172.7-31.600111.6S66 Q67 C75 F79 L112S66-Q77 WeakPolarHBondContact CA-O 3.49Å; Q67-Q77 HydrophobicContact CB-CB 4.25Å; Q67-Q77 PolarHBondContact N-O 2.92Å; C75-Q77 PolarHBondContact SG-O 2.95Å; Q77-F79 HydrophobicContact CB-CE2 3.63Å; Q77-F79 HydrophobicContact CB-CZ 3.86Å; Q77-F79 HydrophobicContact CG-CZ 4.42Å; Q77-L112 PolarHBondContact NE2-O 3.18Å; Q77-L112 PolarHBondContact OE1-O 3.31Å
78R93.9Very high92.2Very high154 Ų15458 Ų5858%0.58130%0.297SS*.EExtended strand (participates in β ladder)trans-134.7131.4174.6-65-172.2176.3-178.3-2.8110.3I64 V65 C75I64-R78 HydrophobicContact CG2-CB 4.31Å; V65-R78 CarbonylContact O-C 3.48Å; V65-R78 WeakPolarHBondContact O-CA 3.35Å; C75-R78 WeakPolarHBondContact SG-CG 3.19Å; C75-R78 PolarHBondContact SG-NE 2.91Å
79F93.1Very high92.1Very high20 Ų2059.5 Ų59.59%0.08830%0.304CS..EExtended strand (participates in β ladder)trans-123.2122-178.7-56.9-80.3000109.4I64 V65 Q77 F81 L110 L112 S115I64-F79 CarbonylContact C-O 3.52Å; I64-F79 WeakPolarHBondContact CA-O 2.93Å; V65-F79 HydrophobicContact CB-CB 4.33Å; V65-F79 PolarHBondContact N-O 2.85Å; V65-F79 PolarHBondContact O-N 2.8Å; Q77-F79 HydrophobicContact CB-CE2 3.63Å; Q77-F79 HydrophobicContact CB-CZ 3.86Å; Q77-F79 HydrophobicContact CG-CZ 4.42Å; F79-F81 HydrophobicContact CB-CD2 4.42Å; F79-F81 HydrophobicContact CB-CE2 3.74Å; F79-L110 HydrophobicContact CB-CD2 4.35Å; F79-L110 HydrophobicContact CD1-CD1 3.9Å; F79-L110 HydrophobicContact CD1-CD2 4.1Å; F79-L110 HydrophobicContact CD2-CD2 3.5Å; F79-L110 HydrophobicContact CE1-CD1 4.1Å; F79-L110 HydrophobicContact CE1-CD2 4.26Å; F79-L110 HydrophobicContact CE2-CD2 3.69Å; F79-L110 HydrophobicContact CG-CD1 4.23Å; F79-L110 HydrophobicContact CG-CD2 3.71Å; F79-L110 HydrophobicContact CZ-CD2 4.05Å; F79-L112 HydrophobicContact CE2-CD2 3.54Å; F79-L112 HydrophobicContact CZ-CD2 3.84Å; F79-S115 WeakPolarHBondContact CE1-OG 3.34Å
80R92.8Very high92.2Very high187 Ų18758.6 Ų58.671%0.70630%0.299SS*.EExtended strand (participates in β ladder)trans-96.4130.2178.7-170.5170.8-171.9760.4110.1
81F90.7Very high92.2Very high22 Ų2259.2 Ų59.210%0.09630%0.301CS..  trans-110.6158177.2-72.3-97.7000110.5N63 V65 F79 S83 I85 V100 P102 V108N63-F81 VanDerWaalsContact CB-O 3.23Å; N63-F81 WeakPolarHBondContact CB-O 3.35Å; N63-F81 PolarHBondContact O-N 3.25Å; V65-F81 HydrophobicContact CB-CE2 4.19Å; V65-F81 HydrophobicContact CG2-CD2 4Å; V65-F81 HydrophobicContact CG2-CE2 3.59Å; V65-F81 HydrophobicContact CG2-CZ 4.46Å; F79-F81 HydrophobicContact CB-CD2 4.42Å; F79-F81 HydrophobicContact CB-CE2 3.74Å; F81-S83 VanDerWaalsContact C-N 3.25Å; F81-S83 PolarHBondContact O-N 2.85Å; F81-I85 HydrophobicContact CB-CD1 3.95Å; F81-I85 HydrophobicContact CB-CG1 4.3Å; F81-I85 HydrophobicContact CD2-CD1 3.38Å; F81-I85 HydrophobicContact CD2-CG1 4.49Å; F81-I85 HydrophobicContact CE2-CD1 4.05Å; F81-I85 HydrophobicContact CG-CD1 3.76Å; F81-I85 HydrophobicContact CG-CG1 4.45Å; F81-V100 HydrophobicContact CE1-CG1 4.17Å; F81-V100 HydrophobicContact CE2-CG1 4.27Å; F81-V100 HydrophobicContact CZ-CB 4.28Å; F81-V100 HydrophobicContact CZ-CG1 3.97Å; F81-V100 HydrophobicContact CZ-CG2 4.13Å; F81-P102 HydrophobicContact CD1-CG 4.46Å; F81-V108 HydrophobicContact CE1-CB 4.46Å; F81-V108 HydrophobicContact CE1-CG1 4.41Å
82P88.3Confident92.2Very high121 Ų12154 Ų5479%0.78628%0.275SS*.SBendtrans-74.4-16.3177.930-35.4000112.9
83S89.2Confident92Very high19 Ų1958.8 Ų58.813%0.13329%0.285CS..SBendtrans-131.6160-178.265.20000113.1N63 F81 P102 M103N63-S83 WeakPolarHBondContact CB-O 3.26Å; N63-S83 VanDerWaalsContact CG-C 3.46Å; N63-S83 VanDerWaalsContact OD1-C 3.32Å; F81-S83 VanDerWaalsContact C-N 3.25Å; F81-S83 PolarHBondContact O-N 2.85Å; S83-P102 WeakPolarHBondContact OG-CB 3.34Å; S83-M103 VanDerWaalsContact CB-O 3.29Å; S83-M103 WeakPolarHBondContact CB-O 3.4Å; S83-M103 PolarHBondContact OG-O 3.06Å
84P90.2Very high92.1Very high35 Ų3560.6 Ų60.623%0.22729%0.291CS..  trans-59.1146.1176.2-2635.7000111.7T61 N63 M103T61-P84 HydrophobicContact CG2-CB 4.24Å; N63-P84 WeakPolarHBondContact OD1-CA 3.48Å; N63-P84 WeakPolarHBondContact OD1-CD 3.25Å; N63-P84 WeakPolarHBondContact OD1-CG 3.42Å; P84-M103 HydrophobicContact CB-CB 4.47Å; P84-M103 HydrophobicContact CG-CE 4.2Å; P84-M103 WeakPolarHBondContact O-CB 3.31Å; P84-M103 PolarHBondContact O-N 2.88Å
85I91.6Very high91.8Very high0 Ų060.1 Ų60.10%029%0.286CS..EExtended strand (participates in β ladder)trans-109.6122.3-173.2-52.9177.3000109.4A59 S60 V65 F81 V88 V100A59-I85 HydrophobicContact CB-CB 3.92Å; A59-I85 HydrophobicContact CB-CG2 3.53Å; S60-I85 PolarHBondContact O-N 2.69Å; V65-I85 HydrophobicContact CB-CD1 4.41Å; V65-I85 HydrophobicContact CG2-CD1 3.17Å; V65-I85 HydrophobicContact CG2-CG1 4.49Å; V65-I85 HydrophobicContact CG2-CG2 4.34Å; F81-I85 HydrophobicContact CB-CD1 3.95Å; F81-I85 HydrophobicContact CB-CG1 4.3Å; F81-I85 HydrophobicContact CD2-CD1 3.38Å; F81-I85 HydrophobicContact CD2-CG1 4.49Å; F81-I85 HydrophobicContact CE2-CD1 4.05Å; F81-I85 HydrophobicContact CG-CD1 3.76Å; F81-I85 HydrophobicContact CG-CG1 4.45Å; I85-V88 HydrophobicContact CG2-CG1 4Å; I85-V100 HydrophobicContact CD1-CG1 4.11Å; I85-V100 HydrophobicContact CG1-CG1 4.48Å; I85-V100 HydrophobicContact CG2-CG1 3.6Å
86L88.9Confident91.6Very high78 Ų7861 Ų6141%0.40829%0.288SS..EExtended strand (participates in β ladder)trans-92.5-36.6-174.9-62.7179.9000112C101 M103L86-C101 PolarHBondContact N-O 3.07Å; L86-M103 HydrophobicContact CD1-CB 4.01Å; L86-M103 HydrophobicContact CD1-CG 3.94Å; L86-M103 HydrophobicContact CG-CB 4.03Å; L86-M103 HydrophobicContact CG-CG 4.39Å
87K91.5Very high91.7Very high63 Ų6360.9 Ų60.927%0.27428%0.284SS..EExtended strand (participates in β ladder)trans-144.1142.2-174.7-163.2179.9178.7-167.20111.8C101 V131 A132K87-C101 HydrophobicContact CB-CB 4Å; K87-C101 PolarHBondContact N-O 3.37Å; K87-C101 PolarHBondContact O-N 3.44Å; K87-V131 HydrophobicContact CD-CG1 3.48Å; K87-V131 VanDerWaalsContact CD-CG1 3.48Å; K87-A132 PolarHBondContact NZ-O 2.68Å
88V95Very high91.9Very high4 Ų458.3 Ų58.32%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-134.6144.5170.9-730000110.4S46 V57 A59 V65 I85 V98 L99 V100S46-V88 WeakPolarHBondContact OG-CG2 3.48Å; S46-V88 PolarHBondContact OG-N 2.78Å; S46-V88 PolarHBondContact OG-O 2.79Å; V57-V88 HydrophobicContact CG1-CB 4Å; V57-V88 HydrophobicContact CG1-CG1 4.36Å; V57-V88 HydrophobicContact CG1-CG2 3.93Å; A59-V88 HydrophobicContact CB-CB 4.25Å; A59-V88 HydrophobicContact CB-CG1 3.46Å; A59-V88 VanDerWaalsContact CB-CG1 3.46Å; A59-V88 HydrophobicContact CB-CG2 3.77Å; V65-V88 HydrophobicContact CG1-CG1 4.17Å; V65-V88 HydrophobicContact CG2-CG1 4.03Å; I85-V88 HydrophobicContact CG2-CG1 4Å; V88-V98 HydrophobicContact CB-CG1 4.48Å; V88-L99 CarbonylContact C-O 3.59Å; V88-L99 VanDerWaalsContact CA-O 3.29Å; V88-L99 WeakPolarHBondContact CA-O 3.45Å; V88-V100 HydrophobicContact CG1-CB 4.47Å; V88-V100 HydrophobicContact CG1-CG1 4.19Å; V88-V100 HydrophobicContact CG1-CG2 4.2Å
89Q95.4Very high91.9Very high38 Ų3851 Ų5118%0.17825%0.245CC..EExtended strand (participates in β ladder)trans-147.5127.5179.1-167.8-174.6600110.7V98 L99 S133 F134Q89-V98 CarbonylContact O-C 3.59Å; Q89-V98 WeakPolarHBondContact O-CA 3.36Å; Q89-L99 HydrophobicContact CB-CB 4.45Å; Q89-L99 PolarHBondContact N-O 2.81Å; Q89-L99 PolarHBondContact O-N 2.89Å; Q89-S133 VanDerWaalsContact OE1-CA 3.25Å; Q89-S133 PolarHBondContact OE1-OG 3.39Å; Q89-F134 HydrophobicContact CG-CD2 4.46Å
90Y95.4Very high92Very high9 Ų950.1 Ų50.14%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-64.2143.3166.6-89.4-76.6000110.9C48 W49 K55 V57 Q67 Q95 V98 L112C48-Y90 HydrophobicContact CB-CD2 4.25Å; C48-Y90 WeakPolarHBondContact O-CD2 3.42Å; C48-Y90 WeakPolarHBondContact O-CE2 3.45Å; C48-Y90 PolarHBondContact SG-N 2.9Å; W49-Y90 VanDerWaalsContact C-CD2 3.43Å; W49-Y90 WeakPolarHBondContact O-CD2 3.4Å; K55-Y90 WeakPolarHBondContact CB-OH 3.49Å; V57-Y90 HydrophobicContact CB-CD2 4.24Å; V57-Y90 HydrophobicContact CB-CE2 3.66Å; V57-Y90 HydrophobicContact CG2-CD2 4.21Å; V57-Y90 HydrophobicContact CG2-CE1 4.11Å; V57-Y90 HydrophobicContact CG2-CE2 3.34Å; V57-Y90 VanDerWaalsContact CG2-OH 3.25Å; V57-Y90 WeakPolarHBondContact CG2-OH 3.29Å; Q67-Y90 PolarHBondContact NE2-OH 3.44Å; Y90-Q95 WeakPolarHBondContact CE1-O 3.36Å; Y90-V98 HydrophobicContact CD1-CG2 3.75Å; Y90-V98 HydrophobicContact CE1-CG2 3.8Å; Y90-V98 HydrophobicContact CG-CG2 4.35Å; Y90-L112 HydrophobicContact CE1-CD1 3.85Å
91H94.2Very high91.9Very high27 Ų2741.3 Ų41.313%0.12521%0.208CC..  trans-62.5129.4168.2-178.9-83.5000109.2R93 D94 K97 F134 G138H91-R93 PolarHBondContact ND1-N 2.82Å; H91-R93 PolarHBondContact O-N 3.25Å; H91-D94 HydrophobicContact CB-CB 4.15Å; H91-D94 WeakPolarHBondContact CB-O 3.44Å; H91-D94 VanDerWaalsContact ND1-CB 3.26Å; H91-D94 WeakPolarHBondContact ND1-CB 3.32Å; H91-D94 PolarHBondContact ND1-N 3.25Å; H91-D94 PolarHBondContact O-N 2.81Å; H91-K97 HydrophobicContact CB-CB 3.77Å; H91-K97 WeakPolarHBondContact CB-O 3.48Å; H91-K97 PolarHBondContact N-O 3.21Å; H91-F134 HydrophobicContact CB-CD2 4.49Å; H91-F134 HydrophobicContact CB-CE2 3.98Å; H91-F134 HydrophobicContact CB-CZ 4.17Å; H91-F134 AromaticContact CD2-CD1 3.93Å; H91-F134 AromaticContact CD2-CE1 3.49Å; H91-F134 VanDerWaalsContact CD2-CE1 3.49Å; H91-F134 WeakPolarHBondContact CD2-CE1 3.4Å; H91-F134 AromaticContact CD2-CZ 3.61Å; H91-G138 WeakPolarHBondContact NE2-CA 3.38Å; H91-G138 PolarHBondContact NE2-O 2.76Å
92P89.8Confident91.9Very high25 Ų2540.4 Ų40.416%0.16220%0.204CC..SBendtrans-58.3-24.9-170.5-23.227.4000114.7R51 F134 D135 R136R51-P92 WeakPolarHBondContact CD-O 3.38Å; R51-P92 WeakPolarHBondContact CG-O 3.37Å; R51-P92 PolarHBondContact NH1-O 3.43Å; P92-F134 HydrophobicContact CG-CB 3.9Å; P92-D135 WeakPolarHBondContact CG-O 3.42Å; P92-R136 WeakPolarHBondContact CB-O 3.34Å
93R89.9Confident91.7Very high153 Ų15337.6 Ų37.658%0.57718%0.181SC*.SBendtrans-117.9-18.4-176.4-63.8-71.4177.2164.44114.5R51 H91 R137R51-R93 VanDerWaalsContact NH2-NH1 3.12Å; H91-R93 PolarHBondContact ND1-N 2.82Å; H91-R93 PolarHBondContact O-N 3.25Å; R93-R137 WeakPolarHBondContact CG-O 3.43Å
94D91.1Very high91.4Very high53 Ų5343.6 Ų43.628%0.28321%0.205SC..  trans-122.2106.8-170.3-175.9-9.1000106.7H91 N96 K97H91-D94 HydrophobicContact CB-CB 4.15Å; H91-D94 WeakPolarHBondContact CB-O 3.44Å; H91-D94 VanDerWaalsContact ND1-CB 3.26Å; H91-D94 WeakPolarHBondContact ND1-CB 3.32Å; H91-D94 PolarHBondContact ND1-N 3.25Å; H91-D94 PolarHBondContact O-N 2.81Å; D94-N96 PolarHBondContact O-N 2.82Å; D94-N96 VanDerWaalsContact OD1-CB 3.31Å; D94-N96 WeakPolarHBondContact OD1-CB 3.39Å; D94-N96 PolarHBondContact OD1-N 3.03Å; D94-K97 HydrophobicContact CB-CD 4.49Å; D94-K97 PolarHBondContact O-N 2.72Å; D94-K97 VanDerWaalsContact OD2-CD 3.24Å; D94-K97 WeakPolarHBondContact OD2-CD 3.12Å; D94-K97 VanDerWaalsContact OD2-CE 3.23Å; D94-K97 WeakPolarHBondContact OD2-CE 3.49Å; D94-K97 IonicContact OD2-NZ 3.67Å
95Q88.6Confident91.1Very high89 Ų8944 Ų4442%0.41621%0.209SC..THydrogen-bonded Turntrans-70.7-13.4-176.5-65.5177-13.100112.3D52 Y90 L112D52-Q95 PolarHBondContact OD2-NE2 2.96Å; D52-Q95 PolarHBondContact OD2-OE1 2.92Å; Y90-Q95 WeakPolarHBondContact CE1-O 3.36Å; Q95-L112 WeakPolarHBondContact O-CD1 3.14Å
96N91.3Very high90.9Very high57 Ų5744.8 Ų44.831%0.30522%0.215SC..THydrogen-bonded Turntrans-89.4-6.2-175.9-15023.9000112.5D94 T111 L112 S113D94-N96 PolarHBondContact O-N 2.82Å; D94-N96 VanDerWaalsContact OD1-CB 3.31Å; D94-N96 WeakPolarHBondContact OD1-CB 3.39Å; D94-N96 PolarHBondContact OD1-N 3.03Å; N96-T111 CarbonylContact O-C 3.59Å; N96-T111 VanDerWaalsContact O-CA 3.31Å; N96-T111 WeakPolarHBondContact O-CA 3.46Å; N96-L112 PolarHBondContact O-N 3.47Å; N96-S113 VanDerWaalsContact ND2-CB 3.26Å; N96-S113 WeakPolarHBondContact ND2-CB 3.35Å; N96-S113 PolarHBondContact ND2-OG 3.38Å; N96-S113 WeakPolarHBondContact OD1-CB 3.27Å; N96-S113 PolarHBondContact OD1-N 3.23Å
97K93.4Very high90.9Very high71 Ų7141.1 Ų41.131%0.30920%0.196SC..EExtended strand (participates in β ladder)trans-115.6133.4-178.9-69.3177.7-175.1171.90111.4H91 D94 M109 L110H91-K97 HydrophobicContact CB-CB 3.77Å; H91-K97 WeakPolarHBondContact CB-O 3.48Å; H91-K97 PolarHBondContact N-O 3.21Å; D94-K97 HydrophobicContact CB-CD 4.49Å; D94-K97 PolarHBondContact O-N 2.72Å; D94-K97 VanDerWaalsContact OD2-CD 3.24Å; D94-K97 WeakPolarHBondContact OD2-CD 3.12Å; D94-K97 VanDerWaalsContact OD2-CE 3.23Å; D94-K97 WeakPolarHBondContact OD2-CE 3.49Å; D94-K97 IonicContact OD2-NZ 3.67Å; K97-M109 HydrophobicContact CD-SD 3.88Å; K97-M109 HydrophobicContact CG-SD 4.48Å; K97-L110 CarbonylContact C-O 3.51Å; K97-L110 WeakPolarHBondContact CA-O 3.37Å
98V95Very high91Very high0 Ų038.5 Ų38.50%019%0.185CC..EExtended strand (participates in β ladder)trans-129126.8176.1177.50000108.4V57 V88 Q89 Y90 V100 L110 L112V57-V98 HydrophobicContact CG1-CG1 4.12Å; V57-V98 HydrophobicContact CG2-CG2 4.14Å; V88-V98 HydrophobicContact CB-CG1 4.48Å; Q89-V98 CarbonylContact O-C 3.59Å; Q89-V98 WeakPolarHBondContact O-CA 3.36Å; Y90-V98 HydrophobicContact CD1-CG2 3.75Å; Y90-V98 HydrophobicContact CE1-CG2 3.8Å; Y90-V98 HydrophobicContact CG-CG2 4.35Å; V98-V100 HydrophobicContact CG1-CG2 4.02Å; V98-L110 HydrophobicContact CB-CB 4.42Å; V98-L110 PolarHBondContact N-O 3.33Å; V98-L110 WeakPolarHBondContact O-CB 3.5Å; V98-L110 PolarHBondContact O-N 3.16Å; V98-L112 HydrophobicContact CG2-CD1 3.8Å; V98-L112 HydrophobicContact CG2-CD2 4.09Å; V98-L112 HydrophobicContact CG2-CG 4.04Å
99L94.9Very high90.9Very high1 Ų140 Ų401%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-83.1124.2168.3178.365.1000108.7V88 Q89 P107 L120 A132 F134 I141V88-L99 CarbonylContact C-O 3.59Å; V88-L99 VanDerWaalsContact CA-O 3.29Å; V88-L99 WeakPolarHBondContact CA-O 3.45Å; Q89-L99 HydrophobicContact CB-CB 4.45Å; Q89-L99 PolarHBondContact N-O 2.81Å; Q89-L99 PolarHBondContact O-N 2.89Å; L99-P107 HydrophobicContact CD1-CB 4.25Å; L99-L120 HydrophobicContact CD1-CD1 3.43Å; L99-L120 VanDerWaalsContact CD1-CD1 3.43Å; L99-A132 HydrophobicContact CD1-CB 4.12Å; L99-A132 HydrophobicContact CD2-CB 3.72Å; L99-A132 HydrophobicContact CG-CB 4.24Å; L99-F134 HydrophobicContact CB-CD2 3.97Å; L99-F134 HydrophobicContact CB-CE2 3.36Å; L99-F134 HydrophobicContact CB-CZ 4.03Å; L99-F134 HydrophobicContact CD2-CD2 4.05Å; L99-F134 HydrophobicContact CD2-CE2 4.09Å; L99-F134 HydrophobicContact CG-CE2 4.33Å; L99-I141 HydrophobicContact CD2-CG2 4.18Å
100V94.2Very high90.8Very high0 Ų038.3 Ų38.30%018%0.184CC..EExtended strand (participates in β ladder)trans-116131.1178.7-175.80000107.4V65 F81 I85 V88 V98 P102 P107 V108 L110V65-V100 HydrophobicContact CG2-CG1 3.9Å; V65-V100 HydrophobicContact CG2-CG2 4.17Å; F81-V100 HydrophobicContact CE1-CG1 4.17Å; F81-V100 HydrophobicContact CE2-CG1 4.27Å; F81-V100 HydrophobicContact CZ-CB 4.28Å; F81-V100 HydrophobicContact CZ-CG1 3.97Å; F81-V100 HydrophobicContact CZ-CG2 4.13Å; I85-V100 HydrophobicContact CD1-CG1 4.11Å; I85-V100 HydrophobicContact CG1-CG1 4.48Å; I85-V100 HydrophobicContact CG2-CG1 3.6Å; V88-V100 HydrophobicContact CG1-CB 4.47Å; V88-V100 HydrophobicContact CG1-CG1 4.19Å; V88-V100 HydrophobicContact CG1-CG2 4.2Å; V98-V100 HydrophobicContact CG1-CG2 4.02Å; V100-P102 WeakPolarHBondContact O-CD 3.47Å; V100-P107 WeakPolarHBondContact O-CA 3.46Å; V100-V108 PolarHBondContact N-O 3.04Å; V100-V108 PolarHBondContact O-N 2.82Å; V100-L110 HydrophobicContact CG2-CB 4.11Å; V100-L110 HydrophobicContact CG2-CD2 4.48Å
101C91.8Very high90.7Very high3 Ų339.4 Ų39.42%0.0219%0.192CC..EExtended strand (participates in β ladder)trans-114.795.6175.8-56.40000108.5L86 K87 A132L86-C101 PolarHBondContact N-O 3.07Å; K87-C101 HydrophobicContact CB-CB 4Å; K87-C101 PolarHBondContact N-O 3.37Å; K87-C101 PolarHBondContact O-N 3.44Å; C101-A132 PolarHBondContact SG-N 2.88Å
102P89.5Confident90.4Very high3 Ų338.4 Ų38.42%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-73.7154.5173.7-5.823.4000110.8F81 S83 V100 V108F81-P102 HydrophobicContact CD1-CG 4.46Å; S83-P102 WeakPolarHBondContact OG-CB 3.34Å; V100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-V108 HydrophobicContact CG-CG2 4.31Å
103M85.6Confident90.3Very high61 Ų6140.4 Ų40.430%0.320%0.203SC..THydrogen-bonded Turntrans-74.1139.5172.5-164.7178.373.600109.4S83 P84 L86 S105S83-M103 VanDerWaalsContact CB-O 3.29Å; S83-M103 WeakPolarHBondContact CB-O 3.4Å; S83-M103 PolarHBondContact OG-O 3.06Å; P84-M103 HydrophobicContact CB-CB 4.47Å; P84-M103 HydrophobicContact CG-CE 4.2Å; P84-M103 WeakPolarHBondContact O-CB 3.31Å; P84-M103 PolarHBondContact O-N 2.88Å; L86-M103 HydrophobicContact CD1-CB 4.01Å; L86-M103 HydrophobicContact CD1-CG 3.94Å; L86-M103 HydrophobicContact CG-CB 4.03Å; L86-M103 HydrophobicContact CG-CG 4.39Å; M103-S105 PolarHBondContact O-N 3.15Å; M103-S105 VanDerWaalsContact O-N 3.11Å
104K82.7Confident90Very high145 Ų14537.4 Ų37.463%0.6320%0.198SC*.THydrogen-bonded Turntrans5230.7-179.7-59.9175.2-178.3-176.50113.4L128 N129K104-L128 CarbonylContact C-O 3.6Å; K104-L128 WeakPolarHBondContact CA-O 3.25Å; K104-L128 PolarHBondContact N-O 3.43Å; K104-L128 WeakPolarHBondContact O-CD1 3.26Å; K104-N129 PolarHBondContact N-OD1 3.25Å
105S84.1Confident89.6Confident45 Ų4538 Ų3832%0.31521%0.206SC..BIsolated β-bridgetrans-146.4158.1174.4-157.50000110M103 L128M103-S105 PolarHBondContact O-N 3.15Å; M103-S105 VanDerWaalsContact O-N 3.11Å; S105-L128 PolarHBondContact N-O 2.89Å; S105-L128 VanDerWaalsContact N-O 3.11Å
106A86.8Confident89.5Confident16 Ų1640 Ų4013%0.13221%0.214CC..  trans-63146.7176.100000110.8V108 V119 V122A106-V108 WeakPolarHBondContact O-CG2 3.34Å; A106-V119 HydrophobicContact CB-CG1 3.5Å; A106-V122 HydrophobicContact CB-CG2 3.77Å
107P89.3Confident89.4Confident0 Ų043 Ų430%023%0.225CC..  trans-58.2144.7172.4-23.334.6000111.4L99 V100 L120 V130 A132L99-P107 HydrophobicContact CD1-CB 4.25Å; V100-P107 WeakPolarHBondContact O-CA 3.46Å; P107-L120 HydrophobicContact CB-CD1 4.13Å; P107-L120 WeakPolarHBondContact O-CB 3.14Å; P107-L120 PolarHBondContact O-N 3.48Å; P107-V130 HydrophobicContact CG-CB 4.12Å; P107-V130 HydrophobicContact CG-CG1 3.87Å; P107-A132 HydrophobicContact CB-CB 3.83Å; P107-A132 HydrophobicContact CG-CB 3.86Å
108V92.3Very high89.2Confident9 Ų943.9 Ų43.96%0.05524%0.237CC..EExtended strand (participates in β ladder)trans-124.7131.2-173.7-177.80000109.5F81 V100 P102 A106 H117 V118 V119F81-V108 HydrophobicContact CE1-CB 4.46Å; F81-V108 HydrophobicContact CE1-CG1 4.41Å; V100-V108 PolarHBondContact N-O 3.04Å; V100-V108 PolarHBondContact O-N 2.82Å; P102-V108 HydrophobicContact CG-CG2 4.31Å; A106-V108 WeakPolarHBondContact O-CG2 3.34Å; V108-H117 HydrophobicContact CG1-CB 3.54Å; V108-V118 CarbonylContact C-O 3.59Å; V108-V118 WeakPolarHBondContact CA-O 3.38Å; V108-V119 HydrophobicContact CG2-CG2 4.44Å
109M93.1Very high88.9Confident35 Ų3548 Ų4817%0.17226%0.262CS..EExtended strand (participates in β ladder)trans-90107.5167.7-172.3174.3-63.400109.2K97 H117 V118 L120 F134 I141K97-M109 HydrophobicContact CD-SD 3.88Å; K97-M109 HydrophobicContact CG-SD 4.48Å; M109-H117 CarbonylContact O-C 3.6Å; M109-H117 WeakPolarHBondContact O-CA 3.19Å; M109-V118 PolarHBondContact N-O 3.01Å; M109-V118 PolarHBondContact O-N 3.05Å; M109-L120 HydrophobicContact CB-CD2 4.4Å; M109-L120 HydrophobicContact CE-CD2 4.28Å; M109-F134 HydrophobicContact CE-CE1 4.02Å; M109-F134 HydrophobicContact CE-CZ 3.79Å; M109-I141 HydrophobicContact CE-CD1 3.64Å
110L93.5Very high88.5Confident2 Ų249.2 Ų49.21%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-88.2132.2176.1-177.673.4000109.8F79 K97 V98 V100 L112 H117F79-L110 HydrophobicContact CB-CD2 4.35Å; F79-L110 HydrophobicContact CD1-CD1 3.9Å; F79-L110 HydrophobicContact CD1-CD2 4.1Å; F79-L110 HydrophobicContact CD2-CD2 3.5Å; F79-L110 HydrophobicContact CE1-CD1 4.1Å; F79-L110 HydrophobicContact CE1-CD2 4.26Å; F79-L110 HydrophobicContact CE2-CD2 3.69Å; F79-L110 HydrophobicContact CG-CD1 4.23Å; F79-L110 HydrophobicContact CG-CD2 3.71Å; F79-L110 HydrophobicContact CZ-CD2 4.05Å; K97-L110 CarbonylContact C-O 3.51Å; K97-L110 WeakPolarHBondContact CA-O 3.37Å; V98-L110 HydrophobicContact CB-CB 4.42Å; V98-L110 PolarHBondContact N-O 3.33Å; V98-L110 WeakPolarHBondContact O-CB 3.5Å; V98-L110 PolarHBondContact O-N 3.16Å; V100-L110 HydrophobicContact CG2-CB 4.11Å; V100-L110 HydrophobicContact CG2-CD2 4.48Å; L110-L112 HydrophobicContact CD2-CD2 3.92Å; L110-L112 HydrophobicContact CG-CD2 4.47Å; L110-H117 HydrophobicContact CD1-CB 4.14Å
111T92.8Very high87.8Confident32 Ų3254.8 Ų54.820%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-104.7117.3170.7-53.80000109.3N96 S115 K116N96-T111 CarbonylContact O-C 3.59Å; N96-T111 VanDerWaalsContact O-CA 3.31Å; N96-T111 WeakPolarHBondContact O-CA 3.46Å; T111-S115 WeakPolarHBondContact O-CA 3.3Å; T111-S115 PolarHBondContact O-N 3.36Å; T111-K116 PolarHBondContact N-O 3.1Å
112L89.4Confident87Confident6 Ų656.4 Ų56.43%0.03131%0.314CS..THydrogen-bonded Turntrans-70.5-37.2-170.2-64174.8000113.1Q77 F79 Y90 Q95 N96 V98 L110 D114Q77-L112 PolarHBondContact NE2-O 3.18Å; Q77-L112 PolarHBondContact OE1-O 3.31Å; F79-L112 HydrophobicContact CE2-CD2 3.54Å; F79-L112 HydrophobicContact CZ-CD2 3.84Å; Y90-L112 HydrophobicContact CE1-CD1 3.85Å; Q95-L112 WeakPolarHBondContact O-CD1 3.14Å; N96-L112 PolarHBondContact O-N 3.47Å; V98-L112 HydrophobicContact CG2-CD1 3.8Å; V98-L112 HydrophobicContact CG2-CD2 4.09Å; V98-L112 HydrophobicContact CG2-CG 4.04Å; L110-L112 HydrophobicContact CD2-CD2 3.92Å; L110-L112 HydrophobicContact CG-CD2 4.47Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-D114 PolarHBondContact O-N 2.83Å
113S87Confident86Confident68 Ų6864 Ų6448%0.47635%0.354SS..THydrogen-bonded Turntrans-61.1-39.4-178.961.70000114N96N96-S113 VanDerWaalsContact ND2-CB 3.26Å; N96-S113 WeakPolarHBondContact ND2-CB 3.35Å; N96-S113 PolarHBondContact ND2-OG 3.38Å; N96-S113 WeakPolarHBondContact OD1-CB 3.27Å; N96-S113 PolarHBondContact OD1-N 3.23Å
114D84.4Confident85Confident89 Ų8963.1 Ų63.148%0.47635%0.351SS..THydrogen-bonded Turntrans-112.2-2.3-170.9-70.126.9000112.3L112 K116L112-D114 VanDerWaalsContact C-N 3.34Å; L112-D114 PolarHBondContact O-N 2.83Å; D114-K116 HydrophobicContact CB-CB 4.3Å; D114-K116 HydrophobicContact CB-CD 3.9Å; D114-K116 HydrophobicContact CB-CG 3.89Å; D114-K116 PolarHBondContact O-N 3Å; D114-K116 IonicContact OD2-NZ 3.21Å; D114-K116 PolarHBondContact OD2-NZ 2.87Å
115S82.8Confident84Confident66 Ų6663.3 Ų63.346%0.46236%0.359SS..THydrogen-bonded Turntrans55.615.9-170.5-52.90000114.3F79 T111F79-S115 WeakPolarHBondContact CE1-OG 3.34Å; T111-S115 WeakPolarHBondContact O-CA 3.3Å; T111-S115 PolarHBondContact O-N 3.36Å
116K86.5Confident83Confident131 Ų13164.7 Ų64.757%0.5737%0.368SS*.EExtended strand (participates in β ladder)trans-76.2146.4176.5-73.5172.6-1741490109.5T111 D114T111-K116 PolarHBondContact N-O 3.1Å; D114-K116 HydrophobicContact CB-CB 4.3Å; D114-K116 HydrophobicContact CB-CD 3.9Å; D114-K116 HydrophobicContact CB-CG 3.89Å; D114-K116 PolarHBondContact O-N 3Å; D114-K116 IonicContact OD2-NZ 3.21Å; D114-K116 PolarHBondContact OD2-NZ 2.87Å
117H88.8Confident82Confident119 Ų11965.8 Ų65.855%0.55137%0.372SS*.EExtended strand (participates in β ladder)trans-133.9138.6178.361.8-89.2000110.4V108 M109 L110V108-H117 HydrophobicContact CG1-CB 3.54Å; M109-H117 CarbonylContact O-C 3.6Å; M109-H117 WeakPolarHBondContact O-CA 3.19Å; L110-H117 HydrophobicContact CD1-CB 4.14Å
118V89.1Confident81.1Confident90 Ų9069.3 Ų69.355%0.54539%0.39SS..EExtended strand (participates in β ladder)trans-117.6123.5178.61790000107.9V108 M109V108-V118 CarbonylContact C-O 3.59Å; V108-V118 WeakPolarHBondContact CA-O 3.38Å; M109-V118 PolarHBondContact N-O 3.01Å; M109-V118 PolarHBondContact O-N 3.05Å
119V88.6Confident80.1Confident88 Ų8872.4 Ų72.453%0.53341%0.407SS..EExtended strand (participates in β ladder)trans-73.8129.6174.1-175.80000108.3A106 V108A106-V119 HydrophobicContact CB-CG1 3.5Å; V108-V119 HydrophobicContact CG2-CG2 4.44Å
120L86Confident79.6Confident25 Ų2571 Ų7113%0.13140%0.4CS..PPolyproline II helixtrans-79.4142.5178.5-66.3173.5000110.2L99 P107 M109 V122 I141L99-L120 HydrophobicContact CD1-CD1 3.43Å; L99-L120 VanDerWaalsContact CD1-CD1 3.43Å; P107-L120 HydrophobicContact CB-CD1 4.13Å; P107-L120 WeakPolarHBondContact O-CB 3.14Å; P107-L120 PolarHBondContact O-N 3.48Å; M109-L120 HydrophobicContact CB-CD2 4.4Å; M109-L120 HydrophobicContact CE-CD2 4.28Å; L120-V122 PolarHBondContact O-N 2.89Å; L120-I141 HydrophobicContact CD1-CD1 3.58Å; L120-I141 HydrophobicContact CD1-CG2 4.36Å; L120-I141 HydrophobicContact CD2-CD1 4.04Å
121P79.9Confident79.1Confident117 Ų11774.1 Ų74.176%0.7642%0.419SS*.PPolyproline II helixtrans-63.3136.6175.227.8-33.5000109.5
122V75.8Confident79Confident37 Ų3772.6 Ų72.622%0.22441%0.41CS..  trans-122.1135.3176.4-1760000107.4A106 L120 D124 V130A106-V122 HydrophobicContact CB-CG2 3.77Å; L120-V122 PolarHBondContact O-N 2.89Å; V122-D124 PolarHBondContact O-N 2.79Å; V122-V130 HydrophobicContact CG1-CG2 3.85Å
123D67.1Low79.1Confident162 Ų16274.1 Ų74.187%0.86642%0.421SS*.SBendtrans-70.4-13.5-172.2-66.8-29.9000114.5
124D64.8Low79.3Confident43 Ų4371.4 Ų71.423%0.2340%0.401CS..  trans-147.7107-171.7-155.9-25.4000110.8V122 S126 K149V122-D124 PolarHBondContact O-N 2.79Å; D124-S126 PolarHBondContact O-N 3.24Å; D124-S126 VanDerWaalsContact O-N 3.09Å; D124-S126 PolarHBondContact OD1-N 2.88Å; D124-S126 PolarHBondContact OD1-OG 3.37Å; D124-K149 IonicContact OD2-NZ 2.73Å; D124-K149 PolarHBondContact OD2-NZ 3.39Å
125D62.8Low79.7Confident149 Ų14968.6 Ų68.680%0.79739%0.386SS*.THydrogen-bonded Turntrans-65-10.1-179.8-76.1-28000113.4
126S62.6Low79.9Confident74 Ų7476.3 Ų76.352%0.51741%0.405SS..THydrogen-bonded Turntrans-81.8-23.5-174.7670000114.6D124 K147D124-S126 PolarHBondContact O-N 3.24Å; D124-S126 VanDerWaalsContact O-N 3.09Å; D124-S126 PolarHBondContact OD1-N 2.88Å; D124-S126 PolarHBondContact OD1-OG 3.37Å; S126-K147 PolarHBondContact OG-NZ 3.04Å
127D66.4Low80Confident39 Ų3977.7 Ų77.721%0.20941%0.406CS..  trans-127.6100.6178.7-93.2-46000112.2N129 V130 K147D127-N129 PolarHBondContact O-N 3.29Å; D127-V130 VanDerWaalsContact O-CG2 3.3Å; D127-V130 WeakPolarHBondContact O-CG2 3.39Å; D127-K147 WeakPolarHBondContact OD2-CD 3.45Å; D127-K147 WeakPolarHBondContact OD2-CE 3.47Å; D127-K147 VanDerWaalsContact OD2-CG 3.28Å; D127-K147 WeakPolarHBondContact OD2-CG 3.29Å; D127-K147 IonicContact OD2-NZ 3.98Å; D127-K147 PolarHBondContact OD2-NZ 2.69Å
128L68.8Low80Confident74 Ų7472.5 Ų72.539%0.38739%0.385SS..  trans-86.87.6178.9-59.6169.3000113.2K104 S105 V130K104-L128 CarbonylContact C-O 3.6Å; K104-L128 WeakPolarHBondContact CA-O 3.25Å; K104-L128 PolarHBondContact N-O 3.43Å; K104-L128 WeakPolarHBondContact O-CD1 3.26Å; S105-L128 PolarHBondContact N-O 2.89Å; S105-L128 VanDerWaalsContact N-O 3.11Å; L128-V130 VanDerWaalsContact C-N 3.26Å; L128-V130 PolarHBondContact O-N 3.45Å
129N72.3Confident80Confident74 Ų7474.3 Ų74.340%0.39639%0.388SS..BIsolated β-bridgetrans-89.370.2169.5-79.6-14.1000109.3K104 D127K104-N129 PolarHBondContact N-OD1 3.25Å; D127-N129 PolarHBondContact O-N 3.29Å
130V82.2Confident80.1Confident7 Ų777.6 Ų77.64%0.04239%0.392CS..EExtended strand (participates in β ladder)trans-106.4130.7178.9-1760000109.3P107 V122 D127 L128 T143 G144 N145P107-V130 HydrophobicContact CG-CB 4.12Å; P107-V130 HydrophobicContact CG-CG1 3.87Å; V122-V130 HydrophobicContact CG1-CG2 3.85Å; D127-V130 VanDerWaalsContact O-CG2 3.3Å; D127-V130 WeakPolarHBondContact O-CG2 3.39Å; L128-V130 VanDerWaalsContact C-N 3.26Å; L128-V130 PolarHBondContact O-N 3.45Å; V130-T143 HydrophobicContact CG1-CG2 4.13Å; V130-G144 CarbonylContact C-O 3.47Å; V130-G144 WeakPolarHBondContact CA-O 3.47Å; V130-N145 HydrophobicContact CG2-CB 4.22Å
131V84.1Confident80.3Confident66 Ų6678.9 Ų78.940%0.440%0.398SS..EExtended strand (participates in β ladder)trans-105.4130.7169.4-177.10000107.7K87 T143 G144K87-V131 HydrophobicContact CD-CG1 3.48Å; K87-V131 VanDerWaalsContact CD-CG1 3.48Å; V131-T143 CarbonylContact O-C 3.6Å; V131-T143 WeakPolarHBondContact O-CA 3.28Å; V131-G144 PolarHBondContact N-O 3.5Å; V131-G144 PolarHBondContact O-N 2.89Å
132A89.1Confident80.7Confident1 Ų180.3 Ų80.31%0.00839%0.39CS..EExtended strand (participates in β ladder)trans-112.6155.817600000111.3K87 L99 C101 P107 I141 Y142 T143K87-A132 PolarHBondContact NZ-O 2.68Å; L99-A132 HydrophobicContact CD1-CB 4.12Å; L99-A132 HydrophobicContact CD2-CB 3.72Å; L99-A132 HydrophobicContact CG-CB 4.24Å; C101-A132 PolarHBondContact SG-N 2.88Å; P107-A132 HydrophobicContact CB-CB 3.83Å; P107-A132 HydrophobicContact CG-CB 3.86Å; A132-I141 HydrophobicContact CB-CG2 3.81Å; A132-Y142 CarbonylContact C-O 3.52Å; A132-Y142 VanDerWaalsContact CA-O 3.26Å; A132-Y142 WeakPolarHBondContact CA-O 3.03Å; A132-T143 HydrophobicContact CB-CG2 4.11Å
133S91.3Very high81.2Confident38 Ų3881.2 Ų81.227%0.26640%0.395SS..EExtended strand (participates in β ladder)trans-150.2136.8174.4-166.10000110.8Q89 I141 Y142Q89-S133 VanDerWaalsContact OE1-CA 3.25Å; Q89-S133 PolarHBondContact OE1-OG 3.39Å; S133-I141 WeakPolarHBondContact O-CA 2.82Å; S133-Y142 PolarHBondContact N-O 3.33Å; S133-Y142 PolarHBondContact O-N 3.32Å
134F93.3Very high82Confident11 Ų1175 Ų755%0.04837%0.37CS..EExtended strand (participates in β ladder)trans-68.7148.1167.8-72.7-69.8000111.4Q89 H91 P92 L99 M109 Y140 I141Q89-F134 HydrophobicContact CG-CD2 4.46Å; H91-F134 HydrophobicContact CB-CD2 4.49Å; H91-F134 HydrophobicContact CB-CE2 3.98Å; H91-F134 HydrophobicContact CB-CZ 4.17Å; H91-F134 AromaticContact CD2-CD1 3.93Å; H91-F134 AromaticContact CD2-CE1 3.49Å; H91-F134 VanDerWaalsContact CD2-CE1 3.49Å; H91-F134 WeakPolarHBondContact CD2-CE1 3.4Å; H91-F134 AromaticContact CD2-CZ 3.61Å; P92-F134 HydrophobicContact CG-CB 3.9Å; L99-F134 HydrophobicContact CB-CD2 3.97Å; L99-F134 HydrophobicContact CB-CE2 3.36Å; L99-F134 HydrophobicContact CB-CZ 4.03Å; L99-F134 HydrophobicContact CD2-CD2 4.05Å; L99-F134 HydrophobicContact CD2-CE2 4.09Å; L99-F134 HydrophobicContact CG-CE2 4.33Å; M109-F134 HydrophobicContact CE-CE1 4.02Å; M109-F134 HydrophobicContact CE-CZ 3.79Å; F134-Y140 WeakPolarHBondContact CA-O 3.37Å; F134-I141 HydrophobicContact CD1-CD1 4.25Å; F134-I141 HydrophobicContact CD1-CG1 3.59Å; F134-I141 HydrophobicContact CE1-CD1 3.58Å; F134-I141 HydrophobicContact CE1-CG1 3.45Å; F134-I141 VanDerWaalsContact CE1-CG1 3.45Å; F134-I141 HydrophobicContact CZ-CD1 4.12Å; F134-I141 HydrophobicContact CZ-CG1 4.35Å
135D91.7Very high82.9Confident29 Ų2974.4 Ų74.416%0.15537%0.366CS..  trans-67.2173.1161.790.7-59.4000111P92 R137 G138 E139 Y140 Y142P92-D135 WeakPolarHBondContact CG-O 3.42Å; D135-R137 PolarHBondContact O-N 3.09Å; D135-R137 PolarHBondContact OD1-N 3.22Å; D135-R137 VanDerWaalsContact OD2-CB 3.32Å; D135-R137 WeakPolarHBondContact OD2-CB 3.47Å; D135-R137 PolarHBondContact OD2-N 3.11Å; D135-G138 PolarHBondContact O-N 3.38Å; D135-G138 VanDerWaalsContact OD1-C 3.28Å; D135-G138 VanDerWaalsContact OD1-CA 3.23Å; D135-G138 WeakPolarHBondContact OD1-CA 3.33Å; D135-G138 PolarHBondContact OD1-N 3.31Å; D135-E139 PolarHBondContact OD1-N 3.35Å; D135-Y140 PolarHBondContact N-O 3.29Å; D135-Y140 PolarHBondContact OD1-N 3.31Å; D135-Y140 VanDerWaalsContact OD1-N 3.11Å; D135-Y142 HydrophobicContact CB-CD2 4.38Å; D135-Y142 HydrophobicContact CB-CE2 3.64Å
136R87.1Confident83.5Confident228 Ų22871.2 Ų71.286%0.8636%0.36SS*.SBendtrans-62.8-27.9-179.1-176.1177.5175.3120-2.7113P92P92-R136 WeakPolarHBondContact CB-O 3.34Å
137R89.4Confident84.2Confident160 Ų16073.2 Ų73.260%0.60436%0.36SS*.SBendtrans-89-23.3-178.2-61.1-18060.8170.6-3.2112.6R93 D135 E139R93-R137 WeakPolarHBondContact CG-O 3.43Å; D135-R137 PolarHBondContact O-N 3.09Å; D135-R137 PolarHBondContact OD1-N 3.22Å; D135-R137 VanDerWaalsContact OD2-CB 3.32Å; D135-R137 WeakPolarHBondContact OD2-CB 3.47Å; D135-R137 PolarHBondContact OD2-N 3.11Å; R137-E139 HydrophobicContact CB-CG 3.82Å
138G88.1Confident84.3Confident11 Ų1174.8 Ų74.811%0.11339%0.385CS..SBendtrans84.29-171.700000113.7H91 D135H91-G138 WeakPolarHBondContact NE2-CA 3.38Å; H91-G138 PolarHBondContact NE2-O 2.76Å; D135-G138 PolarHBondContact O-N 3.38Å; D135-G138 VanDerWaalsContact OD1-C 3.28Å; D135-G138 VanDerWaalsContact OD1-CA 3.23Å; D135-G138 WeakPolarHBondContact OD1-CA 3.33Å; D135-G138 PolarHBondContact OD1-N 3.31Å
139E89.3Confident84.2Confident127 Ų12779 Ų7959%0.59340%0.401SS*.SBendtrans-79.7-33.5-179-60.6-66.4154.800111.6D135 R137D135-E139 PolarHBondContact OD1-N 3.35Å; R137-E139 HydrophobicContact CB-CG 3.82Å
140Y89.8Confident84.8Confident157 Ų15779.3 Ų79.362%0.61640%0.401SS*.  trans-125.1146.1-175.6-60.6-75.6000111.1F134 D135F134-Y140 WeakPolarHBondContact CA-O 3.37Å; D135-Y140 PolarHBondContact N-O 3.29Å; D135-Y140 PolarHBondContact OD1-N 3.31Å; D135-Y140 VanDerWaalsContact OD1-N 3.11Å
141I89.9Confident84.9Confident52 Ų5283.1 Ų83.127%0.26742%0.42SS..EExtended strand (participates in β ladder)trans-112120.2171.5-58.1176.7000106.9L99 M109 L120 A132 S133 F134 T143L99-I141 HydrophobicContact CD2-CG2 4.18Å; M109-I141 HydrophobicContact CE-CD1 3.64Å; L120-I141 HydrophobicContact CD1-CD1 3.58Å; L120-I141 HydrophobicContact CD1-CG2 4.36Å; L120-I141 HydrophobicContact CD2-CD1 4.04Å; A132-I141 HydrophobicContact CB-CG2 3.81Å; S133-I141 WeakPolarHBondContact O-CA 2.82Å; F134-I141 HydrophobicContact CD1-CD1 4.25Å; F134-I141 HydrophobicContact CD1-CG1 3.59Å; F134-I141 HydrophobicContact CE1-CD1 3.58Å; F134-I141 HydrophobicContact CE1-CG1 3.45Å; F134-I141 VanDerWaalsContact CE1-CG1 3.45Å; F134-I141 HydrophobicContact CZ-CD1 4.12Å; F134-I141 HydrophobicContact CZ-CG1 4.35Å; I141-T143 HydrophobicContact CG2-CG2 4.46Å
142Y89Confident85Confident148 Ų14884.1 Ų84.158%0.5842%0.421SS*.EExtended strand (participates in β ladder)trans-91.3123.5170.9-60.9-77.2000108.4A132 S133 D135A132-Y142 CarbonylContact C-O 3.52Å; A132-Y142 VanDerWaalsContact CA-O 3.26Å; A132-Y142 WeakPolarHBondContact CA-O 3.03Å; S133-Y142 PolarHBondContact N-O 3.33Å; S133-Y142 PolarHBondContact O-N 3.32Å; D135-Y142 HydrophobicContact CB-CD2 4.38Å; D135-Y142 HydrophobicContact CB-CE2 3.64Å
143T86.9Confident84.7Confident56 Ų5688.9 Ų88.934%0.34445%0.445SS..EExtended strand (participates in β ladder)trans-102.1141.2172.751.20000109.2V130 V131 A132 I141V130-T143 HydrophobicContact CG1-CG2 4.13Å; V131-T143 CarbonylContact O-C 3.6Å; V131-T143 WeakPolarHBondContact O-CA 3.28Å; A132-T143 HydrophobicContact CB-CG2 4.11Å; I141-T143 HydrophobicContact CG2-CG2 4.46Å
144G83.6Confident84.3Confident32 Ų3292.1 Ų92.133%0.3346%0.456SS..EExtended strand (participates in β ladder)trans-133.1136.8173.900000110.3V130 V131 K149V130-G144 CarbonylContact C-O 3.47Å; V130-G144 WeakPolarHBondContact CA-O 3.47Å; V131-G144 PolarHBondContact N-O 3.5Å; V131-G144 PolarHBondContact O-N 2.89Å; G144-K149 CarbonylContact C-O 3.6Å; G144-K149 WeakPolarHBondContact CA-O 3.44Å
145N82.6Confident83.7Confident29 Ų2997.5 Ų97.516%0.15548%0.484CS..EExtended strand (participates in β ladder)trans-117.5171.3177.572.117.9000113.1V130 K147 G148 K149V130-N145 HydrophobicContact CG2-CB 4.22Å; N145-K147 PolarHBondContact O-N 3.04Å; N145-K147 VanDerWaalsContact O-N 3.16Å; N145-K147 WeakPolarHBondContact OD1-CA 3.23Å; N145-K147 WeakPolarHBondContact OD1-CB 3.47Å; N145-K147 PolarHBondContact OD1-N 2.73Å; N145-G148 PolarHBondContact O-N 3.46Å; N145-G148 PolarHBondContact OD1-N 2.83Å; N145-G148 VanDerWaalsContact OD1-N 3.15Å; N145-K149 PolarHBondContact N-O 3Å; N145-K149 PolarHBondContact OD1-N 3.11Å; N145-K149 PolarHBondContact OD1-O 3.28Å
146A75.7Confident83.1Confident82 Ų82102.4 Ų102.468%0.67851%0.507SS*.THydrogen-bonded Turntrans-63.8-17.417900000114G148A146-G148 VanDerWaalsContact C-N 3.29Å
147K78.1Confident82.8Confident117 Ų11792.8 Ų92.851%0.50948%0.48SS..THydrogen-bonded Turntrans-85.10.2175.6-71.1174.4172.3138.70113S126 D127 N145S126-K147 PolarHBondContact OG-NZ 3.04Å; D127-K147 WeakPolarHBondContact OD2-CD 3.45Å; D127-K147 WeakPolarHBondContact OD2-CE 3.47Å; D127-K147 VanDerWaalsContact OD2-CG 3.28Å; D127-K147 WeakPolarHBondContact OD2-CG 3.29Å; D127-K147 IonicContact OD2-NZ 3.98Å; D127-K147 PolarHBondContact OD2-NZ 2.69Å; N145-K147 PolarHBondContact O-N 3.04Å; N145-K147 VanDerWaalsContact O-N 3.16Å; N145-K147 WeakPolarHBondContact OD1-CA 3.23Å; N145-K147 WeakPolarHBondContact OD1-CB 3.47Å; N145-K147 PolarHBondContact OD1-N 2.73Å
148G69Low82.3Confident72 Ų7287.2 Ų87.274%0.74247%0.47SS*.  trans77.120.2178.800000114.4N145 A146N145-G148 PolarHBondContact O-N 3.46Å; N145-G148 PolarHBondContact OD1-N 2.83Å; N145-G148 VanDerWaalsContact OD1-N 3.15Å; A146-G148 VanDerWaalsContact C-N 3.29Å
149K65.4Low81.8Confident163 Ų16394.1 Ų94.171%0.70950%0.502SS*.  trans-890166.2-61.7-177.9-178.8172.70109.9D124 G144 N145D124-K149 IonicContact OD2-NZ 2.73Å; D124-K149 PolarHBondContact OD2-NZ 3.39Å; G144-K149 CarbonylContact C-O 3.6Å; G144-K149 WeakPolarHBondContact CA-O 3.44Å; N145-K149 PolarHBondContact N-O 3Å; N145-K149 PolarHBondContact OD1-N 3.11Å; N145-K149 PolarHBondContact OD1-O 3.28Å

Retrieved 149 of 149 residues in 42.8 ms (Link to these results)

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