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DNA damage-binding protein 1

Protein, which is both involved in DNA repair and protein ubiquitination, as part of the UV-DDB complex and DCX (DDB1-CUL4-X-box) complexes, respectively1,2,3,4,5,6,7,8,9. Core component of the UV-DDB complex (UV-damaged DNA-binding protein complex), a complex that recognizes UV-induced DNA damage and recruit proteins of the nucleotide excision repair pathway (the NER pathway) to initiate DNA repair10,11,12,13. The UV-DDB complex preferentially binds to cyclobutane pyrimidine dimers (CPD), 6-4 photoproducts (6-4 PP), apurinic sites and short mismatches14,15,16,17. Also functions as a component of numerous distinct DCX (DDB1-CUL4-X-box) E3 ubiquitin-protein ligase complexes which mediate the ubiquitination and subsequent proteasomal degradation of target proteins18,19,20,21,22,23,24,25,26,27,28. The functional specificity of the DCX E3 ubiquitin-protein ligase complex is determined by the variable substrate recognition component recruited by DDB129,30,31,32,33,34,35,36,37,38. DCX(DDB2) (also known as DDB1-CUL4-ROC1, CUL4-DDB-ROC1 and CUL4-DDB-RBX1) may ubiquitinate histone H2A, histone H3 and histone H4 at sites of UV-induced DNA damage39,40,41,42. The ubiquitination of histones may facilitate their removal from the nucleosome and promote subsequent DNA repair43,44,45,46. DCX(DDB2) also ubiquitinates XPC, which may enhance DNA-binding by XPC and promote NER47. DCX(DTL) plays a role in PCNA-dependent polyubiquitination of CDT1 and MDM2-dependent ubiquitination of TP53 in response to radiation-induced DNA damage and during DNA replication48. DCX(ERCC8) (the CSA complex) plays a role in transcription-coupled repair (TCR)49,50,51. The DDB1-CUL4A-DTL E3 ligase complex regulates the circadian clock function by mediating the ubiquitination and degradation of CRY152. DDB1-mediated CRY1 degradation promotes FOXO1 protein stability and FOXO1-mediated gluconeogenesis in the liver (By similarity). By acting on TET dioxygenses, essential for oocyte maintenance at the primordial follicle stage, hence essential for female fertility (By similarity). Maternal factor required for proper zygotic genome activation and genome reprogramming (By similarity).

AlphaFold DB , UniProt , Accession Q16531, Species HUMAN (Homo sapiens, Human), Gene DDB1, Length 1,140 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
1M74.4Confident91.4Very high123 Ų12330.2 Ų30.261%0.60615%0.146SC*.  0139.90-159.4176-140.900107.6Y3M1-Y3 HydrophobicContact CB-CE1 4.39Å; M1-Y3 HydrophobicContact CG-CE1 4.17Å; M1-Y3 HydrophobicContact SD-CE1 3.83Å
2S85.9Confident91.8Very high5 Ų528.1 Ų28.14%0.03514%0.137CC..  trans-106.6137.4175.9-173.80000108.9N4 N964 G1087S2-N4 WeakPolarHBondContact CB-ND2 3.5Å; S2-N4 PolarHBondContact OG-ND2 2.96Å; S2-N4 PolarHBondContact OG-OD1 2.74Å; S2-N964 WeakPolarHBondContact CB-OD1 3.48Å; S2-N964 PolarHBondContact OG-OD1 3.28Å; S2-G1087 WeakPolarHBondContact O-CA 3.35Å
3Y94.6Very high92.2Very high51 Ų5126.7 Ų26.720%0.213%0.131CC..  trans-113.199-176-57.7-62.3000109.1M1 S1042 L1043 E1045 Y1048M1-Y3 HydrophobicContact CB-CE1 4.39Å; M1-Y3 HydrophobicContact CG-CE1 4.17Å; M1-Y3 HydrophobicContact SD-CE1 3.83Å; Y3-S1042 CarbonylContact O-C 3.47Å; Y3-S1042 WeakPolarHBondContact O-CA 3.12Å; Y3-L1043 WeakPolarHBondContact CB-O 3.34Å; Y3-L1043 PolarHBondContact O-N 3.32Å; Y3-E1045 HydrophobicContact CD2-CB 4.09Å; Y3-E1045 HydrophobicContact CE1-CG 4.25Å; Y3-E1045 HydrophobicContact CE2-CB 3.6Å; Y3-E1045 HydrophobicContact CE2-CG 3.95Å; Y3-E1045 PolarHBondContact OH-OE1 3.36Å; Y3-Y1048 AromaticContact CD1-CD1 3.42Å; Y3-Y1048 HydrophobicContact CD1-CD1 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CD1 3.42Å; Y3-Y1048 AromaticContact CD1-CD2 3.86Å; Y3-Y1048 HydrophobicContact CD1-CD2 3.86Å; Y3-Y1048 AromaticContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE2 4.27Å; Y3-Y1048 AromaticContact CD1-CG 3.42Å; Y3-Y1048 HydrophobicContact CD1-CG 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CG 3.42Å; Y3-Y1048 AromaticContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CE1 4.29Å; Y3-Y1048 HydrophobicContact CE1-CG 4.34Å; Y3-Y1048 HydrophobicContact CG-CD1 4.38Å; Y3-Y1048 HydrophobicContact CG-CD2 4.25Å; Y3-Y1048 AromaticContact CG-CG 3.96Å; Y3-Y1048 HydrophobicContact CG-CG 3.96Å
4N96.2Very high92.6Very high0 Ų024.9 Ų24.90%012%0.122CC..EExtended strand (participates in β ladder)trans-115.3151.2-172.2-53.1-76.9000111.4S2 V1040 T1041 G1087 F1088 I1089S2-N4 WeakPolarHBondContact CB-ND2 3.5Å; S2-N4 PolarHBondContact OG-ND2 2.96Å; S2-N4 PolarHBondContact OG-OD1 2.74Å; N4-V1040 HydrophobicContact CB-CG1 4.39Å; N4-T1041 CarbonylContact C-O 3.57Å; N4-T1041 WeakPolarHBondContact CA-O 3.46Å; N4-G1087 WeakPolarHBondContact CB-O 3.47Å; N4-G1087 PolarHBondContact N-O 2.66Å; N4-G1087 PolarHBondContact ND2-O 3.19Å; N4-F1088 HydrophobicContact CB-CD1 3.6Å; N4-F1088 HydrophobicContact CB-CE1 3.73Å; N4-F1088 HydrophobicContact CB-CG 4.26Å; N4-F1088 HydrophobicContact CB-CZ 4.49Å; N4-F1088 CarbonylContact O-C 3.43Å; N4-F1088 WeakPolarHBondContact O-CA 3.19Å; N4-I1089 PolarHBondContact O-N 3.38Å
5Y95.6Very high92.9Very high0 Ų023.3 Ų23.30%011%0.114CC..EExtended strand (participates in β ladder)trans-119.1128.5170.4-176.9-99.4000108V7 V1040 T1041 L1043 L1051 I1089 G1091 I1094 L1136 I1139Y5-V7 HydrophobicContact CD1-CB 4.28Å; Y5-V7 HydrophobicContact CD1-CG1 4.19Å; Y5-V7 HydrophobicContact CE1-CB 3.6Å; Y5-V7 HydrophobicContact CE1-CG1 3.68Å; Y5-V7 HydrophobicContact CE1-CG2 4.27Å; Y5-V1040 WeakPolarHBondContact O-CA 3.41Å; Y5-T1041 HydrophobicContact CD1-CG2 4.09Å; Y5-T1041 HydrophobicContact CG-CG2 4.46Å; Y5-T1041 PolarHBondContact N-O 2.9Å; Y5-T1041 PolarHBondContact O-N 3.46Å; Y5-L1043 HydrophobicContact CD2-CD1 4.4Å; Y5-L1051 HydrophobicContact CD2-CD1 4.22Å; Y5-L1051 HydrophobicContact CE2-CD1 4.45Å; Y5-I1089 HydrophobicContact CD2-CB 3.89Å; Y5-I1089 HydrophobicContact CD2-CG2 3.72Å; Y5-I1089 HydrophobicContact CE2-CG2 3.99Å; Y5-G1091 VanDerWaalsContact CE2-CA 3.42Å; Y5-G1091 WeakPolarHBondContact OH-CA 3.44Å; Y5-I1094 HydrophobicContact CE2-CB 4.5Å; Y5-I1094 HydrophobicContact CE2-CG1 4.34Å; Y5-L1136 HydrophobicContact CE2-CD1 4.23Å; Y5-I1139 HydrophobicContact CD1-CD1 4Å; Y5-I1139 HydrophobicContact CE1-CD1 3.9Å
6V96.6Very high93Very high4 Ų424.2 Ų24.22%0.02412%0.12CC..EExtended strand (participates in β ladder)trans-120.912917857.90000109.6L974 F998 L1000 F1030 L1039 V1040 F1088 I1089 G1091V6-L974 HydrophobicContact CG2-CD1 4.11Å; V6-F998 HydrophobicContact CG1-CD1 4.08Å; V6-F998 HydrophobicContact CG1-CE1 3.61Å; V6-F998 HydrophobicContact CG1-CE2 4.13Å; V6-F998 HydrophobicContact CG1-CZ 3.62Å; V6-L1000 HydrophobicContact CG2-CD1 4.26Å; V6-F1030 HydrophobicContact CG2-CE1 3.97Å; V6-F1030 HydrophobicContact CG2-CZ 4.01Å; V6-L1039 VanDerWaalsContact CA-O 3.31Å; V6-L1039 WeakPolarHBondContact CA-O 3.41Å; V6-V1040 HydrophobicContact CB-CG2 4.41Å; V6-V1040 HydrophobicContact CG2-CG2 4.19Å; V6-F1088 HydrophobicContact CB-CD1 4.2Å; V6-F1088 HydrophobicContact CG1-CB 4.41Å; V6-F1088 HydrophobicContact CG1-CD1 4.05Å; V6-I1089 WeakPolarHBondContact CG1-O 3.42Å; V6-I1089 PolarHBondContact N-O 3.33Å; V6-G1091 VanDerWaalsContact O-CA 3.31Å; V6-G1091 WeakPolarHBondContact O-CA 3.42Å; V6-G1091 PolarHBondContact O-N 3.06Å
7V94.7Very high93.2Very high1 Ų123.7 Ų23.71%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-145.4153.1-176.667.50000111.9Y5 G1038 L1039 H1140Y5-V7 HydrophobicContact CD1-CB 4.28Å; Y5-V7 HydrophobicContact CD1-CG1 4.19Å; Y5-V7 HydrophobicContact CE1-CB 3.6Å; Y5-V7 HydrophobicContact CE1-CG1 3.68Å; Y5-V7 HydrophobicContact CE1-CG2 4.27Å; V7-G1038 CarbonylContact O-C 3.58Å; V7-G1038 WeakPolarHBondContact O-CA 3.35Å; V7-L1039 HydrophobicContact CG1-CB 4.03Å; V7-L1039 HydrophobicContact CG1-CD2 4.23Å; V7-L1039 PolarHBondContact N-O 2.93Å; V7-L1039 PolarHBondContact O-N 2.91Å; V7-H1140 VanDerWaalsContact CG1-CD2 3.48Å; V7-H1140 WeakPolarHBondContact CG1-CD2 3.31Å; V7-H1140 WeakPolarHBondContact CG2-NE2 3.11Å
8T93Very high93.5Very high14 Ų1423.2 Ų23.29%0.08612%0.121CC..EExtended strand (participates in β ladder)trans-88.3117.8176.6-52.40000111.5Q10 K11 M1036 D1092 H1140T8-Q10 VanDerWaalsContact CG2-C 3.46Å; T8-Q10 VanDerWaalsContact CG2-O 3.26Å; T8-Q10 WeakPolarHBondContact CG2-O 3.42Å; T8-K11 HydrophobicContact CG2-CG 4.25Å; T8-M1036 HydrophobicContact CG2-CE 3.57Å; T8-M1036 HydrophobicContact CG2-CG 4.01Å; T8-M1036 WeakPolarHBondContact OG1-CE 3.48Å; T8-D1092 WeakPolarHBondContact CB-OD1 3.25Å; T8-D1092 PolarHBondContact N-OD1 3.2Å; T8-D1092 PolarHBondContact OG1-OD1 2.56Å; T8-D1092 PolarHBondContact OG1-OD2 3.34Å; T8-H1140 PolarHBondContact O-CE1 3.11Å; T8-H1140 VanDerWaalsContact O-CE1 3.28Å; T8-H1140 PolarHBondContact O-ND1 2.92Å
9A89.8Confident93.7Very high14 Ų1422.9 Ų22.912%0.11612%0.121CC..EExtended strand (participates in β ladder)trans-82.5-47.4171.300000111.7L1012 I1037 H1140A9-L1012 HydrophobicContact CB-CD1 4.4Å; A9-I1037 HydrophobicContact CB-CG2 4.22Å; A9-I1037 PolarHBondContact N-O 3.49Å; A9-H1140 WeakPolarHBondContact CA-ND1 3.5Å; A9-H1140 HydrophobicContact CB-CB 3.89Å
10Q91.8Very high93.8Very high39 Ų3923.9 Ų23.918%0.18213%0.128CC..EExtended strand (participates in β ladder)trans-125126.5172.8-178.358.814.300109.4T8 T13 L356 L710 M1036 I1037T8-Q10 VanDerWaalsContact CG2-C 3.46Å; T8-Q10 VanDerWaalsContact CG2-O 3.26Å; T8-Q10 WeakPolarHBondContact CG2-O 3.42Å; Q10-T13 HydrophobicContact CG-CG2 4.44Å; Q10-L356 HydrophobicContact CG-CD1 3.8Å; Q10-L710 HydrophobicContact CB-CD1 3.96Å; Q10-M1036 WeakPolarHBondContact O-CA 3.37Å; Q10-M1036 WeakPolarHBondContact O-CG 3.33Å; Q10-I1037 HydrophobicContact CB-CB 3.92Å; Q10-I1037 HydrophobicContact CB-CD1 4.1Å; Q10-I1037 HydrophobicContact CB-CG1 4.25Å; Q10-I1037 PolarHBondContact N-O 2.7Å; Q10-I1037 PolarHBondContact O-N 3.1Å
11K93.2Very high93.9Very high81 Ų8123.1 Ų23.135%0.35213%0.125SC..  trans-65.6159.7178.7-61.8171.9179.6178.50111T8 T13 R38 E54T8-K11 HydrophobicContact CG2-CG 4.25Å; K11-T13 PolarHBondContact O-N 3.07Å; K11-R38 VanDerWaalsContact CD-CZ 3.4Å; K11-E54 VanDerWaalsContact CD-OE1 3.28Å; K11-E54 WeakPolarHBondContact CD-OE1 3.48Å; K11-E54 WeakPolarHBondContact CE-OE1 3.2Å; K11-E54 IonicContact NZ-OE1 3.52Å; K11-E54 PolarHBondContact NZ-OE1 2.86Å; K11-E54 IonicContact NZ-OE2 3.74Å; K11-E54 PolarHBondContact NZ-OE2 2.84Å
12P96.2Very high95Very high5 Ų520.2 Ų20.23%0.03211%0.11CC..  trans-54.7131.7173.3-22.433.3000110.6K35 N36 E1002 N1034 M1036P12-K35 WeakPolarHBondContact O-CD 3.19Å; P12-N36 HydrophobicContact CB-CB 4.34Å; P12-E1002 WeakPolarHBondContact CG-OE1 3.48Å; P12-N1034 HydrophobicContact CB-CB 4.16Å; P12-M1036 HydrophobicContact CB-CB 4.5Å; P12-M1036 HydrophobicContact CG-CB 4.09Å; P12-M1036 HydrophobicContact CG-CG 4.36Å
13T96.1Very high95.6Very high10 Ų1020 Ų206%0.06111%0.108CC..  trans-110.4-23.8-175.647.30000112.6Q10 K11 V15 N355 L356 N1034 G1035Q10-T13 HydrophobicContact CG-CG2 4.44Å; K11-T13 PolarHBondContact O-N 3.07Å; T13-V15 PolarHBondContact O-N 3.01Å; T13-N355 PolarHBondContact OG1-OD1 2.97Å; T13-L356 PolarHBondContact OG1-N 3.47Å; T13-N1034 PolarHBondContact N-O 2.93Å; T13-G1035 PolarHBondContact OG1-O 2.84Å
14A97.8Very high95.7Very high1 Ų118 Ų181%0.00810%0.101CC..  trans-66.3129.8177.200000111.6K35 R327 N355 N1034A14-K35 WeakPolarHBondContact O-CA 3.45Å; A14-R327 HydrophobicContact CB-CG 4.29Å; A14-N355 WeakPolarHBondContact CA-OD1 3.17Å; A14-N355 PolarHBondContact N-OD1 2.77Å; A14-N355 VanDerWaalsContact N-OD1 3.11Å; A14-N1034 HydrophobicContact CB-CB 4.16Å; A14-N1034 WeakPolarHBondContact CB-O 3.34Å; A14-N1034 PolarHBondContact N-O 3.01Å
15V98.1Very high95.6Very high1 Ų119.7 Ų19.71%0.00611%0.114CC..  trans-86.8126.5176.9178.20000109.3T13 I33 K35 F323 S326 S331T13-V15 PolarHBondContact O-N 3.01Å; V15-I33 HydrophobicContact CB-CG2 4.29Å; V15-I33 HydrophobicContact CG1-CG2 3.69Å; V15-I33 HydrophobicContact CG2-CG2 3.67Å; V15-K35 HydrophobicContact CG2-CG 4.25Å; V15-F323 HydrophobicContact CG1-CE1 4.49Å; V15-F323 HydrophobicContact CG2-CZ 4.49Å; V15-S326 PolarHBondContact N-O 2.84Å; V15-S331 WeakPolarHBondContact CG2-OG 3.2Å
16N94Very high95.5Very high38 Ų3821.4 Ų21.420%0.20313%0.128CC..  trans-112.9-1.4177.171-72.7000113.6A34 K35 N36 I61N16-A34 PolarHBondContact N-O 2.83Å; N16-A34 PolarHBondContact OD1-O 3.03Å; N16-K35 PolarHBondContact OD1-N 2.82Å; N16-N36 PolarHBondContact OD1-N 2.91Å; N16-I61 PolarHBondContact ND2-O 3.39Å
17G96.6Very high95.3Very high16 Ų1629.3 Ų29.317%0.16516%0.164CC..EExtended strand (participates in β ladder)trans-175.8145.7176.500000111.5A34G17-A34 PolarHBondContact O-N 2.7Å
18C97.8Very high95.4Very high14 Ų1432 Ų3210%0.09518%0.179CC..EExtended strand (participates in β ladder)trans-143.5145.2173.564.10000110.1L31 L32 C313 T315 F323C18-L31 HydrophobicContact CB-CD1 4.23Å; C18-L32 CarbonylContact C-O 3.54Å; C18-L32 VanDerWaalsContact CA-O 3.23Å; C18-L32 WeakPolarHBondContact CA-O 3.3Å; C18-C313 PolarHBondContact SG-SG 3.19Å; C18-T315 PolarHBondContact O-OG1 3.21Å; C18-T315 PolarHBondContact SG-OG1 2.93Å; C18-F323 HydrophobicContact CB-CD1 4Å; C18-F323 HydrophobicContact CB-CE1 4.07Å
19V97.4Very high95.5Very high19 Ų1933.1 Ų33.112%0.11518%0.184CC..EExtended strand (participates in β ladder)trans-140.7151.4176.8-63.80000110.3L32 M64 L66 L77V19-L32 HydrophobicContact CG2-CB 3.74Å; V19-L32 HydrophobicContact CG2-CD2 4.43Å; V19-L32 PolarHBondContact N-O 3.47Å; V19-L32 PolarHBondContact O-N 3.26Å; V19-M64 HydrophobicContact CG1-CE 4.4Å; V19-M64 WeakPolarHBondContact CG1-O 3.47Å; V19-M64 HydrophobicContact CG2-CE 3.97Å; V19-M64 HydrophobicContact CG2-CG 4.23Å; V19-M64 HydrophobicContact CG2-SD 4.32Å; V19-L66 HydrophobicContact CB-CD1 4.18Å; V19-L66 HydrophobicContact CB-CG 4.4Å; V19-L66 HydrophobicContact CG2-CD1 3.7Å; V19-L66 HydrophobicContact CG2-CG 3.77Å; V19-L77 HydrophobicContact CG2-CD1 4.36Å
20T96.7Very high95.9Very high42 Ų4232.5 Ų32.526%0.25818%0.179SC..EExtended strand (participates in β ladder)trans-122.5150.3171.7-167.60000111.9L29 N30 L66 T315 Y316T20-L29 WeakPolarHBondContact OG1-CD1 3.18Å; T20-N30 WeakPolarHBondContact CA-O 3.36Å; T20-N30 WeakPolarHBondContact CB-O 3.31Å; T20-N30 PolarHBondContact OG1-O 2.65Å; T20-L66 VanDerWaalsContact C-CD1 3.49Å; T20-T315 HydrophobicContact CG2-CG2 3.51Å; T20-Y316 WeakPolarHBondContact CG2-O 3.28Å
21G96.1Very high96.2Very high8 Ų830.6 Ų30.68%0.08217%0.17CC..EExtended strand (participates in β ladder)trans170.3-167.4177.600000110.4N30 D75G21-N30 PolarHBondContact N-O 2.87Å; G21-N30 WeakPolarHBondContact O-CA 3.48Å; G21-N30 WeakPolarHBondContact O-CB 3.29Å; G21-N30 PolarHBondContact O-N 3.4Å; G21-D75 WeakPolarHBondContact CA-OD2 3.42Å
22H97.2Very high96.5Very high61 Ų6126.8 Ų26.828%0.28215%0.153SC..  trans-106.379.6-178.1-46.2-96.6000109.8S25 A26 D28 R68 K74 D75H22-S25 CarbonylContact C-O 3.58Å; H22-S25 WeakPolarHBondContact CB-O 3.45Å; H22-A26 PolarHBondContact ND1-O 3.14Å; H22-D28 VanDerWaalsContact CA-O 3.3Å; H22-D28 WeakPolarHBondContact CA-O 3.34Å; H22-D28 WeakPolarHBondContact CB-O 3.06Å; H22-D28 PolarHBondContact ND1-O 3.22Å; H22-R68 VanDerWaalsContact CB-NH2 3.33Å; H22-R68 PolarHBondContact CD2-NH2 2.89Å; H22-K74 CarbonylContact O-C 3.53Å; H22-K74 WeakPolarHBondContact O-CA 3.32Å; H22-K74 WeakPolarHBondContact O-CB 3.36Å; H22-D75 PolarHBondContact N-OD2 2.52Å; H22-D75 WeakPolarHBondContact O-CB 3.34Å; H22-D75 PolarHBondContact O-N 2.69Å
23F97.7Very high96.5Very high0 Ų026.7 Ų26.70%015%0.153CC..SBendtrans-90-38.5-174-176-116.9000112.9N30 L32 I41 L66 K74 D75 L77 Y91 I100F23-N30 WeakPolarHBondContact CA-OD1 3.48Å; F23-N30 HydrophobicContact CB-CB 4.38Å; F23-N30 PolarHBondContact N-OD1 2.87Å; F23-L32 HydrophobicContact CB-CD1 4.12Å; F23-L32 HydrophobicContact CD1-CD1 4.33Å; F23-L32 HydrophobicContact CD1-CD2 4.04Å; F23-L32 HydrophobicContact CE1-CD2 4.4Å; F23-L32 HydrophobicContact CG-CD1 4.45Å; F23-L32 HydrophobicContact CG-CD2 4.19Å; F23-I41 HydrophobicContact CD1-CD1 4.33Å; F23-I41 HydrophobicContact CD1-CG2 4.46Å; F23-I41 HydrophobicContact CE1-CD1 3.91Å; F23-L66 HydrophobicContact CB-CD2 4.23Å; F23-L66 HydrophobicContact CD2-CD2 3.86Å; F23-L66 HydrophobicContact CG-CD2 4.29Å; F23-K74 WeakPolarHBondContact O-CD 3.17Å; F23-D75 WeakPolarHBondContact CD2-O 3.21Å; F23-L77 HydrophobicContact CD2-CB 4.22Å; F23-L77 HydrophobicContact CE2-CB 3.59Å; F23-L77 HydrophobicContact CZ-CB 4.02Å; F23-Y91 WeakPolarHBondContact O-CB 3.44Å; F23-I100 HydrophobicContact CE1-CD1 4.08Å
24T96.1Very high96.6Very high9 Ų926.2 Ų26.26%0.05515%0.15CC..SBendtrans-78.2-45.4-177.655.50000111.4D28 N30 I41 V52 K74 Y91T24-D28 VanDerWaalsContact OG1-CB 3.25Å; T24-D28 WeakPolarHBondContact OG1-CB 3.26Å; T24-D28 PolarHBondContact OG1-OD2 2.92Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.34Å; T24-N30 PolarHBondContact N-OD1 3.41Å; T24-N30 PolarHBondContact OG1-ND2 3.08Å; T24-N30 PolarHBondContact OG1-OD1 2.78Å; T24-I41 HydrophobicContact CG2-CG2 4.34Å; T24-V52 HydrophobicContact CG2-CG1 4.47Å; T24-K74 PolarHBondContact O-NZ 2.81Å; T24-Y91 HydrophobicContact CG2-CD1 4.28Å; T24-Y91 HydrophobicContact CG2-CD2 3.89Å; T24-Y91 HydrophobicContact CG2-CE1 4.22Å; T24-Y91 HydrophobicContact CG2-CE2 3.81Å; T24-Y91 HydrophobicContact CG2-CG 4.13Å; T24-Y91 WeakPolarHBondContact O-CD1 3.3Å
25S94.9Very high96.6Very high37 Ų3727.4 Ų27.426%0.25916%0.155SC..SBendtrans-144.1-175.8176.376.50000111H22 E27 D28H22-S25 CarbonylContact C-O 3.58Å; H22-S25 WeakPolarHBondContact CB-O 3.45Å; S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.3Å; S25-D28 WeakPolarHBondContact CB-OD2 3.45Å; S25-D28 WeakPolarHBondContact OG-CB 3.44Å; S25-D28 PolarHBondContact OG-N 3.02Å; S25-D28 PolarHBondContact OG-OD2 2.88Å
26A93.9Very high96.5Very high36 Ų3627.4 Ų27.430%0.29816%0.155SC..SBendtrans-76.8-23.117700000113.2H22 S73H22-A26 PolarHBondContact ND1-O 3.14Å; A26-S73 WeakPolarHBondContact CB-O 3.28Å
27E93.1Very high96.6Very high169 Ų16926.6 Ų26.679%0.7915%0.151SC*.SBendtrans-107.2-29.3-171.6-56.7-58.514300112.1S25 L29S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.3Å; E27-L29 PolarHBondContact O-N 3.07Å
28D94.9Very high96.5Very high59 Ų5927.9 Ų27.932%0.31615%0.151SC..  trans-69129.7178-61-37.9000109.5H22 T24 S25 V43H22-D28 VanDerWaalsContact CA-O 3.3Å; H22-D28 WeakPolarHBondContact CA-O 3.34Å; H22-D28 WeakPolarHBondContact CB-O 3.06Å; H22-D28 PolarHBondContact ND1-O 3.22Å; T24-D28 VanDerWaalsContact OG1-CB 3.25Å; T24-D28 WeakPolarHBondContact OG1-CB 3.26Å; T24-D28 PolarHBondContact OG1-OD2 2.92Å; S25-D28 WeakPolarHBondContact CB-OD2 3.45Å; S25-D28 WeakPolarHBondContact OG-CB 3.44Å; S25-D28 PolarHBondContact OG-N 3.02Å; S25-D28 PolarHBondContact OG-OD2 2.88Å; D28-V43 HydrophobicContact CB-CG1 4.49Å
29L97Very high96.4Very high37 Ų3727.4 Ų27.419%0.19415%0.147CC..  trans-85.5127.4163.5-175.767.4000108.3T20 E27 V44 L317 D318T20-L29 WeakPolarHBondContact OG1-CD1 3.18Å; E27-L29 PolarHBondContact O-N 3.07Å; L29-V44 HydrophobicContact CB-CB 4.26Å; L29-V44 HydrophobicContact CB-CG2 4.42Å; L29-V44 HydrophobicContact CD2-CB 4.19Å; L29-V44 HydrophobicContact CD2-CG1 4.36Å; L29-V44 HydrophobicContact CD2-CG2 4.12Å; L29-V44 HydrophobicContact CG-CB 4.3Å; L29-V44 HydrophobicContact CG-CG2 4.03Å; L29-V44 PolarHBondContact O-N 3.2Å; L29-L317 HydrophobicContact CD2-CB 4.39Å; L29-L317 WeakPolarHBondContact CD2-O 3.43Å; L29-D318 HydrophobicContact CD2-CB 4.08Å
30N98Very high96.3Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-115.1147.2-179.2-55.8118.5000111.4T20 G21 F23 T24 L32 Y42 V43T20-N30 WeakPolarHBondContact CA-O 3.36Å; T20-N30 WeakPolarHBondContact CB-O 3.31Å; T20-N30 PolarHBondContact OG1-O 2.65Å; G21-N30 PolarHBondContact N-O 2.87Å; G21-N30 WeakPolarHBondContact O-CA 3.48Å; G21-N30 WeakPolarHBondContact O-CB 3.29Å; G21-N30 PolarHBondContact O-N 3.4Å; F23-N30 WeakPolarHBondContact CA-OD1 3.48Å; F23-N30 HydrophobicContact CB-CB 4.38Å; F23-N30 PolarHBondContact N-OD1 2.87Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.34Å; T24-N30 PolarHBondContact N-OD1 3.41Å; T24-N30 PolarHBondContact OG1-ND2 3.08Å; T24-N30 PolarHBondContact OG1-OD1 2.78Å; N30-L32 HydrophobicContact CB-CD1 3.7Å; N30-Y42 CarbonylContact C-O 3.53Å; N30-Y42 WeakPolarHBondContact CA-O 3.49Å; N30-Y42 WeakPolarHBondContact CB-O 3.39Å; N30-Y42 PolarHBondContact ND2-O 2.78Å; N30-V43 VanDerWaalsContact ND2-CG2 3.3Å; N30-V43 WeakPolarHBondContact ND2-CG2 3.19Å
31L97.9Very high96.3Very high0 Ų025.7 Ų25.70%014%0.135CC..EExtended strand (participates in β ladder)trans-110.2124.2164.4170.463.6000107.8C18 I33 Y42 V44 L49 T315 L317 F323C18-L31 HydrophobicContact CB-CD1 4.23Å; L31-I33 HydrophobicContact CD1-CG1 4.21Å; L31-I33 HydrophobicContact CD2-CD1 3.98Å; L31-I33 HydrophobicContact CD2-CG1 4.2Å; L31-I33 HydrophobicContact CG-CD1 4.23Å; L31-I33 HydrophobicContact CG-CG1 3.91Å; L31-Y42 PolarHBondContact N-O 2.9Å; L31-Y42 PolarHBondContact O-N 2.79Å; L31-V44 HydrophobicContact CB-CG2 4.46Å; L31-L49 HydrophobicContact CB-CD2 4.46Å; L31-L49 HydrophobicContact CD2-CD1 3.65Å; L31-L49 HydrophobicContact CD2-CD2 4.11Å; L31-T315 HydrophobicContact CD1-CG2 4.14Å; L31-L317 HydrophobicContact CB-CD2 4.02Å; L31-L317 HydrophobicContact CD1-CD2 4.21Å; L31-L317 HydrophobicContact CG-CD2 4.47Å; L31-F323 HydrophobicContact CD1-CB 4.25Å; L31-F323 HydrophobicContact CD1-CD1 4Å; L31-F323 HydrophobicContact CD1-CG 4.21Å; L31-F323 HydrophobicContact CD2-CB 3.85Å; L31-F323 HydrophobicContact CD2-CD1 4.03Å; L31-F323 HydrophobicContact CD2-CD2 3.75Å; L31-F323 HydrophobicContact CD2-CE2 4.32Å; L31-F323 HydrophobicContact CD2-CG 3.58Å
32L98.1Very high96.2Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-112.3128.6175.2-81.167.2000108.7C18 V19 F23 N30 L39 E40 I41 M64 L66 L77C18-L32 CarbonylContact C-O 3.54Å; C18-L32 VanDerWaalsContact CA-O 3.23Å; C18-L32 WeakPolarHBondContact CA-O 3.3Å; V19-L32 HydrophobicContact CG2-CB 3.74Å; V19-L32 HydrophobicContact CG2-CD2 4.43Å; V19-L32 PolarHBondContact N-O 3.47Å; V19-L32 PolarHBondContact O-N 3.26Å; F23-L32 HydrophobicContact CB-CD1 4.12Å; F23-L32 HydrophobicContact CD1-CD1 4.33Å; F23-L32 HydrophobicContact CD1-CD2 4.04Å; F23-L32 HydrophobicContact CE1-CD2 4.4Å; F23-L32 HydrophobicContact CG-CD1 4.45Å; F23-L32 HydrophobicContact CG-CD2 4.19Å; N30-L32 HydrophobicContact CB-CD1 3.7Å; L32-L39 HydrophobicContact CB-CD1 4.13Å; L32-L39 HydrophobicContact CD2-CD1 4.33Å; L32-L39 HydrophobicContact CG-CD1 4.36Å; L32-E40 WeakPolarHBondContact CA-O 3.4Å; L32-I41 HydrophobicContact CD1-CG2 4.15Å; L32-I41 HydrophobicContact CG-CG1 4.39Å; L32-I41 HydrophobicContact CG-CG2 4.45Å; L32-M64 HydrophobicContact CB-SD 4.41Å; L32-L66 HydrophobicContact CD2-CD2 4.19Å; L32-L77 HydrophobicContact CD2-CD1 3.69Å; L32-L77 HydrophobicContact CD2-CD2 3.68Å; L32-L77 HydrophobicContact CD2-CG 4.19Å
33I98.1Very high96.2Very high4 Ų424.6 Ų24.62%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-120.6129.7-175.9-55.6174.3000108.8V15 L31 K35 L39 E40 Y42 F323V15-I33 HydrophobicContact CB-CG2 4.29Å; V15-I33 HydrophobicContact CG1-CG2 3.69Å; V15-I33 HydrophobicContact CG2-CG2 3.67Å; L31-I33 HydrophobicContact CD1-CG1 4.21Å; L31-I33 HydrophobicContact CD2-CD1 3.98Å; L31-I33 HydrophobicContact CD2-CG1 4.2Å; L31-I33 HydrophobicContact CG-CD1 4.23Å; L31-I33 HydrophobicContact CG-CG1 3.91Å; I33-K35 HydrophobicContact CG2-CG 4.14Å; I33-L39 CarbonylContact O-C 3.6Å; I33-L39 WeakPolarHBondContact O-CA 3.36Å; I33-E40 HydrophobicContact CB-CB 4.34Å; I33-E40 PolarHBondContact N-O 3.18Å; I33-E40 PolarHBondContact O-N 3.09Å; I33-Y42 HydrophobicContact CD1-CD2 4.13Å; I33-Y42 HydrophobicContact CD1-CE2 3.84Å; I33-F323 HydrophobicContact CD1-CE1 3.79Å; I33-F323 HydrophobicContact CD1-CE2 3.91Å; I33-F323 HydrophobicContact CD1-CZ 3.42Å; I33-F323 VanDerWaalsContact CD1-CZ 3.42Å; I33-F323 HydrophobicContact CG1-CE1 3.98Å; I33-F323 HydrophobicContact CG1-CZ 4.13Å
34A97.9Very high96Very high0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-97.2126.5169.800000109.9N16 G17 R38 I61 M64N16-A34 PolarHBondContact N-O 2.83Å; N16-A34 PolarHBondContact OD1-O 3.03Å; G17-A34 PolarHBondContact O-N 2.7Å; A34-R38 WeakPolarHBondContact CA-O 3.41Å; A34-I61 HydrophobicContact CB-CB 4.31Å; A34-I61 HydrophobicContact CB-CD1 3.73Å; A34-I61 HydrophobicContact CB-CG2 3.98Å; A34-M64 HydrophobicContact CB-CE 3.75Å; A34-M64 HydrophobicContact CB-SD 4.1Å
35K97.1Very high95.7Very high26 Ų2628.3 Ų28.311%0.11315%0.15CC..EExtended strand (participates in β ladder)trans-12484.8172.7-64.4-177.5-177164.80109.4P12 A14 V15 N16 I33 T37 R38 E40P12-K35 WeakPolarHBondContact O-CD 3.19Å; A14-K35 WeakPolarHBondContact O-CA 3.45Å; V15-K35 HydrophobicContact CG2-CG 4.25Å; N16-K35 PolarHBondContact OD1-N 2.82Å; I33-K35 HydrophobicContact CG2-CG 4.14Å; K35-T37 PolarHBondContact O-N 3.4Å; K35-R38 PolarHBondContact N-O 3.01Å; K35-R38 PolarHBondContact O-N 2.92Å; K35-E40 WeakPolarHBondContact CD-OE1 3.31Å; K35-E40 WeakPolarHBondContact CE-OE1 3.3Å; K35-E40 WeakPolarHBondContact CE-OE2 3.42Å; K35-E40 IonicContact NZ-OE1 2.88Å; K35-E40 PolarHBondContact NZ-OE1 3.4Å; K35-E40 IonicContact NZ-OE2 3.7Å; K35-E40 PolarHBondContact NZ-OE2 2.86Å
36N96.3Very high95.2Very high1 Ų132 Ų321%0.00518%0.183CC..THydrogen-bonded Turntrans51.3-82.3-174.6-164.352.9000114.3P12 N16 K60 I61 G1001 E1002 N1034P12-N36 HydrophobicContact CB-CB 4.34Å; N16-N36 PolarHBondContact OD1-N 2.91Å; N36-K60 CarbonylContact O-C 3.58Å; N36-K60 WeakPolarHBondContact OD1-CD 3.46Å; N36-K60 VanDerWaalsContact OD1-CE 3.28Å; N36-K60 WeakPolarHBondContact OD1-CE 2.71Å; N36-K60 WeakPolarHBondContact OD1-CG 3.5Å; N36-I61 WeakPolarHBondContact O-CB 3.24Å; N36-I61 WeakPolarHBondContact O-CG1 3.31Å; N36-I61 PolarHBondContact O-N 3.33Å; N36-G1001 PolarHBondContact ND2-O 3.34Å; N36-E1002 PolarHBondContact ND2-OE1 2.89Å; N36-N1034 HydrophobicContact CB-CB 4.41Å; N36-N1034 VanDerWaalsContact CG-ND2 3.33Å; N36-N1034 PolarHBondContact ND2-ND2 2.89Å
37T95.4Very high94.6Very high20 Ų2039.6 Ų39.612%0.12321%0.212CC..THydrogen-bonded Turntrans-105.57.4-179.4550000113.5K35 M57 W1073K35-T37 PolarHBondContact O-N 3.4Å; T37-M57 PolarHBondContact O-N 2.93Å; T37-W1073 HydrophobicContact CG2-CH2 3.9Å; T37-W1073 HydrophobicContact CG2-CZ2 3.94Å
38R94.6Very high94.2Very high44 Ų4432.5 Ų32.517%0.16619%0.185CC..EExtended strand (participates in β ladder)trans-126.3147.5-175.5-62.4-171.2175.5-104.7-3.3112.4K11 A34 K35 E54 V55 I61K11-R38 VanDerWaalsContact CD-CZ 3.4Å; A34-R38 WeakPolarHBondContact CA-O 3.41Å; K35-R38 PolarHBondContact N-O 3.01Å; K35-R38 PolarHBondContact O-N 2.92Å; R38-E54 WeakPolarHBondContact CD-OE1 3.35Å; R38-E54 IonicContact CZ-OE1 3.08Å; R38-E54 IonicContact NE-OE1 2.73Å; R38-E54 IonicContact NH1-OE1 3.26Å; R38-E54 PolarHBondContact NH1-OE1 3.39Å; R38-V55 WeakPolarHBondContact CA-O 3.46Å; R38-I61 WeakPolarHBondContact O-CD1 3.45Å
39L95.9Very high93.9Very high4 Ų430.7 Ų30.72%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-118.2123.3173.6172.471.1000108.9L32 I33 I41 E54 V55 M64 L77L32-L39 HydrophobicContact CB-CD1 4.13Å; L32-L39 HydrophobicContact CD2-CD1 4.33Å; L32-L39 HydrophobicContact CG-CD1 4.36Å; I33-L39 CarbonylContact O-C 3.6Å; I33-L39 WeakPolarHBondContact O-CA 3.36Å; L39-I41 HydrophobicContact CD2-CD1 4.33Å; L39-I41 HydrophobicContact CD2-CG1 4.36Å; L39-I41 HydrophobicContact CG-CG1 4.2Å; L39-E54 CarbonylContact O-C 3.52Å; L39-E54 WeakPolarHBondContact O-CA 3.31Å; L39-V55 HydrophobicContact CB-CB 4.26Å; L39-V55 PolarHBondContact N-O 3.09Å; L39-V55 PolarHBondContact O-N 3.48Å; L39-M64 HydrophobicContact CD1-SD 3.53Å; L39-M64 VanDerWaalsContact CD1-SD 3.53Å; L39-L77 HydrophobicContact CD1-CD2 4.18Å; L39-L77 HydrophobicContact CD2-CD2 3.52Å
40E95.2Very high93.4Very high24 Ų2436 Ų3611%0.11219%0.192CC..EExtended strand (participates in β ladder)trans-107.4138.7171.8-65.9169.5-178.400109.8L32 I33 K35 Y42 E54L32-E40 WeakPolarHBondContact CA-O 3.4Å; I33-E40 HydrophobicContact CB-CB 4.34Å; I33-E40 PolarHBondContact N-O 3.18Å; I33-E40 PolarHBondContact O-N 3.09Å; K35-E40 WeakPolarHBondContact CD-OE1 3.31Å; K35-E40 WeakPolarHBondContact CE-OE1 3.3Å; K35-E40 WeakPolarHBondContact CE-OE2 3.42Å; K35-E40 IonicContact NZ-OE1 2.88Å; K35-E40 PolarHBondContact NZ-OE1 3.4Å; K35-E40 IonicContact NZ-OE2 3.7Å; K35-E40 PolarHBondContact NZ-OE2 2.86Å; E40-Y42 HydrophobicContact CB-CD2 4.34Å; E40-Y42 HydrophobicContact CB-CE2 3.6Å; E40-Y42 PolarHBondContact OE2-OH 3.08Å; E40-E54 HydrophobicContact CG-CG 4.02Å
41I96.3Very high92.9Very high1 Ų140.4 Ų40.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-123.2122.2-176.4-49.5178.5000108.4F23 T24 L32 L39 V52 K53 I100F23-I41 HydrophobicContact CD1-CD1 4.33Å; F23-I41 HydrophobicContact CD1-CG2 4.46Å; F23-I41 HydrophobicContact CE1-CD1 3.91Å; T24-I41 HydrophobicContact CG2-CG2 4.34Å; L32-I41 HydrophobicContact CD1-CG2 4.15Å; L32-I41 HydrophobicContact CG-CG1 4.39Å; L32-I41 HydrophobicContact CG-CG2 4.45Å; L39-I41 HydrophobicContact CD2-CD1 4.33Å; L39-I41 HydrophobicContact CD2-CG1 4.36Å; L39-I41 HydrophobicContact CG-CG1 4.2Å; I41-V52 HydrophobicContact CB-CB 4.42Å; I41-V52 HydrophobicContact CG2-CB 4.27Å; I41-V52 WeakPolarHBondContact O-CB 3.21Å; I41-V52 PolarHBondContact O-N 2.87Å; I41-K53 WeakPolarHBondContact CB-O 3.4Å; I41-K53 HydrophobicContact CD1-CB 4.38Å; I41-K53 PolarHBondContact N-O 3.33Å; I41-K53 PolarHBondContact O-N 2.8Å; I41-I100 HydrophobicContact CD1-CD1 3.81Å; I41-I100 HydrophobicContact CD1-CG1 4.29Å
42Y95.6Very high92.5Very high36 Ų3641.9 Ų41.914%0.14123%0.23CC..EExtended strand (participates in β ladder)trans-119.6148.2177.1-63.5-96.1000110.6N30 L31 I33 E40 L49 R50 P51N30-Y42 CarbonylContact C-O 3.53Å; N30-Y42 WeakPolarHBondContact CA-O 3.49Å; N30-Y42 WeakPolarHBondContact CB-O 3.39Å; N30-Y42 PolarHBondContact ND2-O 2.78Å; L31-Y42 PolarHBondContact N-O 2.9Å; L31-Y42 PolarHBondContact O-N 2.79Å; I33-Y42 HydrophobicContact CD1-CD2 4.13Å; I33-Y42 HydrophobicContact CD1-CE2 3.84Å; E40-Y42 HydrophobicContact CB-CD2 4.34Å; E40-Y42 HydrophobicContact CB-CE2 3.6Å; E40-Y42 PolarHBondContact OE2-OH 3.08Å; Y42-L49 HydrophobicContact CD1-CB 3.9Å; Y42-L49 HydrophobicContact CG-CB 4.35Å; Y42-R50 CarbonylContact C-O 3.51Å; Y42-R50 VanDerWaalsContact CA-O 3.31Å; Y42-R50 WeakPolarHBondContact CA-O 3.36Å; Y42-P51 HydrophobicContact CD1-CB 4.04Å; Y42-P51 HydrophobicContact CE1-CB 3.78Å
43V95.6Very high92Very high9 Ų946.6 Ų46.66%0.05525%0.25CS..EExtended strand (participates in β ladder)trans-98.1129.3163.2171.60000107.4D28 N30 T45 R50 V52D28-V43 HydrophobicContact CB-CG1 4.49Å; N30-V43 VanDerWaalsContact ND2-CG2 3.3Å; N30-V43 WeakPolarHBondContact ND2-CG2 3.19Å; V43-T45 HydrophobicContact CG1-CG2 4.07Å; V43-T45 PolarHBondContact O-N 3.11Å; V43-R50 PolarHBondContact N-O 3.32Å; V43-R50 PolarHBondContact O-N 2.73Å; V43-V52 HydrophobicContact CB-CG2 4.18Å; V43-V52 HydrophobicContact CG2-CG2 3.41Å; V43-V52 VanDerWaalsContact CG2-CG2 3.41Å
44V94.7Very high91.6Very high37 Ų3749.7 Ų49.722%0.22427%0.265CS..EExtended strand (participates in β ladder)trans-77.1117.8174.5-173.60000107.8L29 L31 L49 L317L29-V44 HydrophobicContact CB-CB 4.26Å; L29-V44 HydrophobicContact CB-CG2 4.42Å; L29-V44 HydrophobicContact CD2-CB 4.19Å; L29-V44 HydrophobicContact CD2-CG1 4.36Å; L29-V44 HydrophobicContact CD2-CG2 4.12Å; L29-V44 HydrophobicContact CG-CB 4.3Å; L29-V44 HydrophobicContact CG-CG2 4.03Å; L29-V44 PolarHBondContact O-N 3.2Å; L31-V44 HydrophobicContact CB-CG2 4.46Å; V44-L49 HydrophobicContact CG2-CD2 3.99Å; V44-L317 HydrophobicContact CG1-CB 4.34Å; V44-L317 HydrophobicContact CG1-CD1 4.36Å; V44-L317 HydrophobicContact CG2-CB 4.43Å; V44-L317 HydrophobicContact CG2-CD1 4.13Å; V44-L317 HydrophobicContact CG2-CD2 3.99Å; V44-L317 HydrophobicContact CG2-CG 4.42Å
45T89.9Confident91.3Very high51 Ų5150.3 Ų50.331%0.31327%0.268SS..  trans-118.1171.2177.180.20000110.3V43 E47 G48 R50V43-T45 HydrophobicContact CG1-CG2 4.07Å; V43-T45 PolarHBondContact O-N 3.11Å; T45-E47 PolarHBondContact O-N 3.28Å; T45-E47 PolarHBondContact OG1-N 3.05Å; T45-G48 PolarHBondContact N-O 3.32Å; T45-G48 PolarHBondContact O-N 3.04Å; T45-G48 PolarHBondContact OG1-N 3.25Å; T45-G48 PolarHBondContact OG1-O 3.33Å; T45-R50 HydrophobicContact CG2-CB 3.97Å
46A84.5Confident91Very high114 Ų11451.1 Ų51.194%0.94228%0.284SS*.SBendtrans-66.3-23.4174.600000113.2
47E79.7Confident90.8Very high195 Ų19551.6 Ų51.691%0.91129%0.286SS*.SBendtrans-89.2-18.8-179.3-66.5173.2-175.600112.5T45T45-E47 PolarHBondContact O-N 3.28Å; T45-E47 PolarHBondContact OG1-N 3.05Å
48G84.6Confident90.8Very high21 Ų2152.7 Ų52.722%0.21629%0.289CS..SBendtrans147.6-159-178.600000112.7T45T45-G48 PolarHBondContact N-O 3.32Å; T45-G48 PolarHBondContact O-N 3.04Å; T45-G48 PolarHBondContact OG1-N 3.25Å; T45-G48 PolarHBondContact OG1-O 3.33Å
49L89.2Confident90.8Very high20 Ų2050.7 Ų50.711%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-88113.9175.8-65.8178.3000110L31 Y42 V44 L317 F323 L333 F353L31-L49 HydrophobicContact CB-CD2 4.46Å; L31-L49 HydrophobicContact CD2-CD1 3.65Å; L31-L49 HydrophobicContact CD2-CD2 4.11Å; Y42-L49 HydrophobicContact CD1-CB 3.9Å; Y42-L49 HydrophobicContact CG-CB 4.35Å; V44-L49 HydrophobicContact CG2-CD2 3.99Å; L49-L317 HydrophobicContact CD2-CD1 3.97Å; L49-F323 HydrophobicContact CD1-CD2 4.46Å; L49-L333 HydrophobicContact CD1-CD1 4.09Å; L49-L333 HydrophobicContact CD1-CD2 4.48Å; L49-L333 HydrophobicContact CG-CD1 4.41Å; L49-L333 HydrophobicContact CG-CD2 4.28Å; L49-F353 HydrophobicContact CD1-CE2 4.47Å; L49-F353 HydrophobicContact CD1-CZ 3.9Å
50R87.2Confident90.8Very high148 Ų14853.4 Ų53.456%0.55829%0.293SS*.EExtended strand (participates in β ladder)trans-92.1118.4175.9-172.1177.765.6-178.8-1.4110.4Y42 V43 T45Y42-R50 CarbonylContact C-O 3.51Å; Y42-R50 VanDerWaalsContact CA-O 3.31Å; Y42-R50 WeakPolarHBondContact CA-O 3.36Å; V43-R50 PolarHBondContact N-O 3.32Å; V43-R50 PolarHBondContact O-N 2.73Å; T45-R50 HydrophobicContact CG2-CB 3.97Å
51P87Confident90.9Very high93 Ų9352.5 Ų52.560%0.60429%0.289SS*.EExtended strand (participates in β ladder)trans-64.6138.1176.826.2-33.3000110.9Y42Y42-P51 HydrophobicContact CD1-CB 4.04Å; Y42-P51 HydrophobicContact CE1-CB 3.78Å
52V88.7Confident90.9Very high32 Ų3254.4 Ų54.419%0.19431%0.305CS..EExtended strand (participates in β ladder)trans-111.3-52.8177.9-1800000110.8T24 I41 V43 Y91 I98T24-V52 HydrophobicContact CG2-CG1 4.47Å; I41-V52 HydrophobicContact CB-CB 4.42Å; I41-V52 HydrophobicContact CG2-CB 4.27Å; I41-V52 WeakPolarHBondContact O-CB 3.21Å; I41-V52 PolarHBondContact O-N 2.87Å; V43-V52 HydrophobicContact CB-CG2 4.18Å; V43-V52 HydrophobicContact CG2-CG2 3.41Å; V43-V52 VanDerWaalsContact CG2-CG2 3.41Å; V52-Y91 HydrophobicContact CG1-CE2 3.84Å; V52-I98 HydrophobicContact CG1-CD1 3.96Å
53K87.5Confident91Very high99 Ų9953.3 Ų53.343%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-159.9140.9-176.3-165.968.5179.8-177.30111.1I41 V55 I98I41-K53 WeakPolarHBondContact CB-O 3.4Å; I41-K53 HydrophobicContact CD1-CB 4.38Å; I41-K53 PolarHBondContact N-O 3.33Å; I41-K53 PolarHBondContact O-N 2.8Å; K53-V55 HydrophobicContact CG-CG2 3.99Å; K53-I98 HydrophobicContact CB-CG2 4.37Å; K53-I98 HydrophobicContact CD-CG2 4.39Å; K53-I98 HydrophobicContact CG-CG2 4.41Å
54E89.8Confident91.1Very high69 Ų6953.6 Ų53.632%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-106.8138.1165-169.9-164.614300109.3K11 R38 L39 E40K11-E54 VanDerWaalsContact CD-OE1 3.28Å; K11-E54 WeakPolarHBondContact CD-OE1 3.48Å; K11-E54 WeakPolarHBondContact CE-OE1 3.2Å; K11-E54 IonicContact NZ-OE1 3.52Å; K11-E54 PolarHBondContact NZ-OE1 2.86Å; K11-E54 IonicContact NZ-OE2 3.74Å; K11-E54 PolarHBondContact NZ-OE2 2.84Å; R38-E54 WeakPolarHBondContact CD-OE1 3.35Å; R38-E54 IonicContact CZ-OE1 3.08Å; R38-E54 IonicContact NE-OE1 2.73Å; R38-E54 IonicContact NH1-OE1 3.26Å; R38-E54 PolarHBondContact NH1-OE1 3.39Å; L39-E54 CarbonylContact O-C 3.52Å; L39-E54 WeakPolarHBondContact O-CA 3.31Å; E40-E54 HydrophobicContact CG-CG 4.02Å
55V91.5Very high91.2Very high12 Ų1254.9 Ų54.97%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-132.2119.1-174.3-1770000109.9R38 L39 K53 I100 V1065R38-V55 WeakPolarHBondContact CA-O 3.46Å; L39-V55 HydrophobicContact CB-CB 4.26Å; L39-V55 PolarHBondContact N-O 3.09Å; L39-V55 PolarHBondContact O-N 3.48Å; K53-V55 HydrophobicContact CG-CG2 3.99Å; V55-I100 HydrophobicContact CG2-CG1 3.78Å; V55-V1065 HydrophobicContact CG1-CB 4.11Å; V55-V1065 HydrophobicContact CG1-CG1 4.25Å; V55-V1065 HydrophobicContact CG1-CG2 3.58Å
56G91.6Very high91.6Very high43 Ų4353.8 Ų53.844%0.44330%0.299SS..EExtended strand (participates in β ladder)trans-78.3142.7168.700000111.7
57M92.2Very high92.1Very high11 Ų1149 Ų495%0.05426%0.257CS..  trans-127.3139.5175.1-171172.662.300111.1T37 G59 I61 I79 T81 I1068T37-M57 PolarHBondContact O-N 2.93Å; M57-G59 VanDerWaalsContact CE-O 3.25Å; M57-G59 WeakPolarHBondContact CE-O 3.25Å; M57-G59 PolarHBondContact O-N 3.5Å; M57-I61 HydrophobicContact CE-CB 4.25Å; M57-I61 HydrophobicContact CE-CD1 4.12Å; M57-I61 HydrophobicContact CE-CG1 3.17Å; M57-I79 HydrophobicContact CE-CG2 3.7Å; M57-I79 HydrophobicContact SD-CD1 4.41Å; M57-I79 HydrophobicContact SD-CG2 3.82Å; M57-T81 HydrophobicContact CE-CG2 3.51Å; M57-T81 HydrophobicContact SD-CG2 3.97Å; M57-I1068 HydrophobicContact CG-CD1 4.46Å
58Y95Very high92.9Very high43 Ų4344.2 Ų44.217%0.16923%0.23CC..SBendtrans-78.757.3175-72.6-5.8000111.5I1068 H1070 W1073Y58-I1068 WeakPolarHBondContact CD2-O 3.41Å; Y58-I1068 WeakPolarHBondContact O-CD1 3.38Å; Y58-I1068 WeakPolarHBondContact O-CG2 3.04Å; Y58-H1070 HydrophobicContact CD2-CB 4.3Å; Y58-H1070 HydrophobicContact CE2-CB 3.74Å; Y58-H1070 AromaticContact CZ-CD2 3.85Å; Y58-W1073 AromaticContact CD1-CD1 3.66Å; Y58-W1073 HydrophobicContact CD1-CG 4.32Å; Y58-W1073 HydrophobicContact CD2-CB 4.47Å; Y58-W1073 HydrophobicContact CG-CB 4.15Å; Y58-W1073 AromaticContact CG-CD1 3.77Å; Y58-W1073 HydrophobicContact CG-CG 4.01Å
59G95.1Very high93.3Very high2 Ų244.6 Ų44.62%0.02123%0.229CC..SBendtrans174.4143.4-177.900000111.8M57 I61 W1073M57-G59 VanDerWaalsContact CE-O 3.25Å; M57-G59 WeakPolarHBondContact CE-O 3.25Å; M57-G59 PolarHBondContact O-N 3.5Å; G59-I61 PolarHBondContact O-N 2.81Å; G59-W1073 VanDerWaalsContact CA-CZ3 3.45Å
60K96.3Very high93.3Very high62 Ų6251.7 Ų51.727%0.2726%0.259SS..  trans-69.5119.4168.2170.5170.2-177.2-170.70109.7N36 A62 T81 A82N36-K60 CarbonylContact O-C 3.58Å; N36-K60 WeakPolarHBondContact OD1-CD 3.46Å; N36-K60 VanDerWaalsContact OD1-CE 3.28Å; N36-K60 WeakPolarHBondContact OD1-CE 2.71Å; N36-K60 WeakPolarHBondContact OD1-CG 3.5Å; K60-A62 PolarHBondContact O-N 2.9Å; K60-T81 CarbonylContact O-C 3.55Å; K60-T81 WeakPolarHBondContact O-CA 3.29Å; K60-T81 WeakPolarHBondContact O-CB 3.39Å; K60-A82 HydrophobicContact CB-CB 4.1Å; K60-A82 HydrophobicContact CD-CB 4.38Å; K60-A82 HydrophobicContact CG-CB 4.24Å; K60-A82 PolarHBondContact O-N 2.64Å
61I97.3Very high93.4Very high4 Ų448 Ų482%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-64.4117.3175.4-60.9166000108.2N16 A34 N36 R38 M57 G59 M64 I79N16-I61 PolarHBondContact ND2-O 3.39Å; A34-I61 HydrophobicContact CB-CB 4.31Å; A34-I61 HydrophobicContact CB-CD1 3.73Å; A34-I61 HydrophobicContact CB-CG2 3.98Å; N36-I61 WeakPolarHBondContact O-CB 3.24Å; N36-I61 WeakPolarHBondContact O-CG1 3.31Å; N36-I61 PolarHBondContact O-N 3.33Å; R38-I61 WeakPolarHBondContact O-CD1 3.45Å; M57-I61 HydrophobicContact CE-CB 4.25Å; M57-I61 HydrophobicContact CE-CD1 4.12Å; M57-I61 HydrophobicContact CE-CG1 3.17Å; G59-I61 PolarHBondContact O-N 2.81Å; I61-M64 HydrophobicContact CG2-CB 4.11Å; I61-I79 HydrophobicContact CG1-CG2 4.34Å; I61-I79 HydrophobicContact CG2-CG2 4.34Å
62A96.6Very high93.6Very high42 Ų4244.8 Ų44.835%0.34724%0.243SC..EExtended strand (participates in β ladder)trans-101.7-35.6174.200000111.6K60 L80 I120K60-A62 PolarHBondContact O-N 2.9Å; A62-L80 WeakPolarHBondContact CA-O 3.25Å; A62-L80 WeakPolarHBondContact CB-O 3.36Å; A62-L80 PolarHBondContact N-O 3.23Å; A62-I120 HydrophobicContact CB-CB 4.33Å; A62-I120 HydrophobicContact CB-CD1 4.12Å; A62-I120 HydrophobicContact CB-CG2 4.21Å
63V97.5Very high93.8Very high13 Ų1347.1 Ų47.18%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-135.9139.2176.8-174.80000108.9E65 I79 L80 I120V63-E65 HydrophobicContact CG1-CG 3.97Å; V63-I79 WeakPolarHBondContact O-CA 3.4Å; V63-L80 HydrophobicContact CB-CB 3.96Å; V63-L80 HydrophobicContact CG2-CB 4.19Å; V63-L80 HydrophobicContact CG2-CD2 4.19Å; V63-L80 PolarHBondContact N-O 2.86Å; V63-L80 PolarHBondContact O-N 2.77Å; V63-I120 HydrophobicContact CG2-CG2 3.86Å
64M97.4Very high94.2Very high14 Ų1443.8 Ų43.87%0.06925%0.247CC..EExtended strand (participates in β ladder)trans-140.7117.4174.4180175.863.200108.7V19 L32 A34 L39 I61 L77 F78V19-M64 HydrophobicContact CG1-CE 4.4Å; V19-M64 WeakPolarHBondContact CG1-O 3.47Å; V19-M64 HydrophobicContact CG2-CE 3.97Å; V19-M64 HydrophobicContact CG2-CG 4.23Å; V19-M64 HydrophobicContact CG2-SD 4.32Å; L32-M64 HydrophobicContact CB-SD 4.41Å; A34-M64 HydrophobicContact CB-CE 3.75Å; A34-M64 HydrophobicContact CB-SD 4.1Å; L39-M64 HydrophobicContact CD1-SD 3.53Å; L39-M64 VanDerWaalsContact CD1-SD 3.53Å; I61-M64 HydrophobicContact CG2-CB 4.11Å; M64-L77 HydrophobicContact CG-CD1 3.58Å; M64-L77 HydrophobicContact CG-CG 4.39Å; M64-L77 HydrophobicContact SD-CD1 4.28Å; M64-F78 WeakPolarHBondContact CA-O 3.44Å
65E97.3Very high94.6Very high64 Ų6441.2 Ų41.230%0.29924%0.235SC..EExtended strand (participates in β ladder)trans-138.8135.5-176-71.9-67.2172.900111.2V63 F78 I124V63-E65 HydrophobicContact CG1-CG 3.97Å; E65-F78 PolarHBondContact N-O 3.1Å; E65-F78 PolarHBondContact O-N 2.86Å; E65-I124 HydrophobicContact CB-CD1 3.68Å; E65-I124 HydrophobicContact CB-CG1 4.13Å
66L97.2Very high94.9Very high28 Ų2841 Ų4115%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-92.5142172.8-76.7170.6000110.4V19 T20 F23 L32 D75 L76 L77V19-L66 HydrophobicContact CB-CD1 4.18Å; V19-L66 HydrophobicContact CB-CG 4.4Å; V19-L66 HydrophobicContact CG2-CD1 3.7Å; V19-L66 HydrophobicContact CG2-CG 3.77Å; T20-L66 VanDerWaalsContact C-CD1 3.49Å; F23-L66 HydrophobicContact CB-CD2 4.23Å; F23-L66 HydrophobicContact CD2-CD2 3.86Å; F23-L66 HydrophobicContact CG-CD2 4.29Å; L32-L66 HydrophobicContact CD2-CD2 4.19Å; L66-D75 HydrophobicContact CB-CB 4.44Å; L66-D75 HydrophobicContact CD2-CB 3.93Å; L66-L76 WeakPolarHBondContact CA-O 3.36Å; L66-L77 HydrophobicContact CD2-CB 4.14Å; L66-L77 HydrophobicContact CD2-CD1 3.79Å; L66-L77 HydrophobicContact CG-CD1 4.06Å
67F96.3Very high95.1Very high13 Ų1339 Ų396%0.05721%0.213CC..EExtended strand (participates in β ladder)trans-153.5152.1175.669.3-70.9000111.2P69 D75 L76 F78 I88 I124 C128 L145F67-P69 HydrophobicContact CD2-CG 3.94Å; F67-P69 HydrophobicContact CE2-CG 3.64Å; F67-D75 WeakPolarHBondContact O-CA 3.37Å; F67-L76 HydrophobicContact CD1-CB 4.34Å; F67-L76 WeakPolarHBondContact CD1-O 3.43Å; F67-L76 HydrophobicContact CE1-CB 3.78Å; F67-L76 HydrophobicContact CE2-CD1 4.49Å; F67-L76 HydrophobicContact CZ-CB 3.87Å; F67-L76 HydrophobicContact CZ-CD1 4.21Å; F67-L76 PolarHBondContact N-O 3.26Å; F67-L76 PolarHBondContact O-N 2.68Å; F67-F78 HydrophobicContact CD1-CB 4.31Å; F67-F78 HydrophobicContact CE1-CB 3.94Å; F67-I88 HydrophobicContact CE1-CG2 4.24Å; F67-I88 HydrophobicContact CZ-CD1 3.99Å; F67-I88 HydrophobicContact CZ-CG1 4.26Å; F67-I88 HydrophobicContact CZ-CG2 3.97Å; F67-I124 HydrophobicContact CB-CD1 3.84Å; F67-I124 HydrophobicContact CB-CG2 3.95Å; F67-I124 HydrophobicContact CD1-CD1 3.44Å; F67-I124 VanDerWaalsContact CD1-CD1 3.44Å; F67-I124 HydrophobicContact CD2-CG2 4.43Å; F67-I124 HydrophobicContact CE1-CD1 4.16Å; F67-I124 HydrophobicContact CG-CD1 3.73Å; F67-I124 HydrophobicContact CG-CG2 4.21Å; F67-C128 HydrophobicContact CD2-CB 4.36Å; F67-L145 HydrophobicContact CD2-CD1 4.14Å; F67-L145 HydrophobicContact CE2-CD1 3.91Å; F67-L145 HydrophobicContact CE2-CD2 4.17Å; F67-L145 HydrophobicContact CZ-CD2 4.36Å
68R95.1Very high95.4Very high96 Ų9638.5 Ų38.536%0.36221%0.21SC..  trans-117.2100.3178.4-165.1173-59.7178.37.4111.4H22 D75 C128H22-R68 VanDerWaalsContact CB-NH2 3.33Å; H22-R68 PolarHBondContact CD2-NH2 2.89Å; R68-D75 WeakPolarHBondContact CB-OD1 3.49Å; R68-D75 IonicContact CZ-OD1 3.66Å; R68-D75 IonicContact NE-OD1 2.76Å; R68-D75 PolarHBondContact NE-OD1 2.83Å; R68-D75 IonicContact NH2-OD1 3.63Å; R68-D75 PolarHBondContact NH2-OD1 2.84Å; R68-D75 IonicContact NH2-OD2 2.83Å; R68-C128 PolarHBondContact O-SG 3.27Å; R68-C128 VanDerWaalsContact O-SG 3.33Å
69P92.8Very high95.6Very high28 Ų2836.5 Ų36.518%0.18220%0.203CC..  trans-57.9149.7171.7-22.232.3000112F67 G71 E72 L76F67-P69 HydrophobicContact CD2-CG 3.94Å; F67-P69 HydrophobicContact CE2-CG 3.64Å; P69-G71 PolarHBondContact O-N 2.87Å; P69-E72 HydrophobicContact CB-CG 4.03Å; P69-E72 HydrophobicContact CG-CG 4.17Å; P69-E72 PolarHBondContact O-N 2.76Å; P69-E72 VanDerWaalsContact O-N 3.1Å; P69-L76 HydrophobicContact CG-CD1 3.75Å; P69-L76 HydrophobicContact CG-CG 4.36Å
70K89.3Confident95.7Very high170 Ų17036.4 Ų36.474%0.73920%0.202SC*.THydrogen-bonded Turntrans-57.3123.4174.5-66.9-178.8-178175.40110.4
71G89.2Confident95.7Very high69 Ų6933.5 Ų33.571%0.71119%0.189SC*.THydrogen-bonded Turntrans91.8-2.717900000115.5P69P69-G71 PolarHBondContact O-N 2.87Å
72E92.6Very high95.6Very high26 Ų2635.2 Ų35.212%0.12120%0.204CC..  trans-87141.1165.2-62-67.115100109.4P69 K74 R103 R147P69-E72 HydrophobicContact CB-CG 4.03Å; P69-E72 HydrophobicContact CG-CG 4.17Å; P69-E72 PolarHBondContact O-N 2.76Å; P69-E72 VanDerWaalsContact O-N 3.1Å; E72-K74 VanDerWaalsContact C-N 3.34Å; E72-R103 IonicContact OE1-CZ 3.36Å; E72-R103 IonicContact OE1-NH1 2.75Å; E72-R103 PolarHBondContact OE1-NH1 2.85Å; E72-R103 IonicContact OE1-NH2 3.39Å; E72-R103 PolarHBondContact OE1-NH2 3.1Å; E72-R103 IonicContact OE2-CZ 3.44Å; E72-R103 IonicContact OE2-NH1 3.52Å; E72-R103 IonicContact OE2-NH2 3.19Å; E72-R103 PolarHBondContact OE2-NH2 3.4Å; E72-R147 IonicContact OE1-CZ 2.72Å; E72-R147 IonicContact OE1-NE 2.81Å; E72-R147 PolarHBondContact OE1-NE 2.66Å; E72-R147 IonicContact OE1-NH2 3.52Å; E72-R147 PolarHBondContact OE1-NH2 3.14Å
73S93.4Very high95.5Very high82 Ų8234.7 Ų34.757%0.57319%0.194SC*.SBendtrans-81.7-17.2179.254.70000113.3A26A26-S73 WeakPolarHBondContact CB-O 3.28Å
74K95.8Very high95.4Very high29 Ų2935.4 Ų35.413%0.12620%0.195CC..SBendtrans-141.8166.4-174.770.4-174.3-169.21760110.4H22 F23 T24 E72 Y91H22-K74 CarbonylContact O-C 3.53Å; H22-K74 WeakPolarHBondContact O-CA 3.32Å; H22-K74 WeakPolarHBondContact O-CB 3.36Å; F23-K74 WeakPolarHBondContact O-CD 3.17Å; T24-K74 PolarHBondContact O-NZ 2.81Å; E72-K74 VanDerWaalsContact C-N 3.34Å; K74-Y91 WeakPolarHBondContact CE-O 3.44Å; K74-Y91 PolarHBondContact NZ-O 3.21Å
75D97.3Very high95.3Very high15 Ų1535.8 Ų35.88%0.0820%0.197CC..  trans-74.3150.2-176.5-57.7-18.8000111.4G21 H22 F23 L66 F67 R68G21-D75 WeakPolarHBondContact CA-OD2 3.42Å; H22-D75 PolarHBondContact N-OD2 2.52Å; H22-D75 WeakPolarHBondContact O-CB 3.34Å; H22-D75 PolarHBondContact O-N 2.69Å; F23-D75 WeakPolarHBondContact CD2-O 3.21Å; L66-D75 HydrophobicContact CB-CB 4.44Å; L66-D75 HydrophobicContact CD2-CB 3.93Å; F67-D75 WeakPolarHBondContact O-CA 3.37Å; R68-D75 WeakPolarHBondContact CB-OD1 3.49Å; R68-D75 IonicContact CZ-OD1 3.66Å; R68-D75 IonicContact NE-OD1 2.76Å; R68-D75 PolarHBondContact NE-OD1 2.83Å; R68-D75 IonicContact NH2-OD1 3.63Å; R68-D75 PolarHBondContact NH2-OD1 2.84Å; R68-D75 IonicContact NH2-OD2 2.83Å
76L96.8Very high95.3Very high8 Ų832.8 Ų32.84%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-104.9154.3165.7-58.5-177.3000108.8L66 F67 P69 I88 E90L66-L76 WeakPolarHBondContact CA-O 3.36Å; F67-L76 HydrophobicContact CD1-CB 4.34Å; F67-L76 WeakPolarHBondContact CD1-O 3.43Å; F67-L76 HydrophobicContact CE1-CB 3.78Å; F67-L76 HydrophobicContact CE2-CD1 4.49Å; F67-L76 HydrophobicContact CZ-CB 3.87Å; F67-L76 HydrophobicContact CZ-CD1 4.21Å; F67-L76 PolarHBondContact N-O 3.26Å; F67-L76 PolarHBondContact O-N 2.68Å; P69-L76 HydrophobicContact CG-CD1 3.75Å; P69-L76 HydrophobicContact CG-CG 4.36Å; L76-I88 HydrophobicContact CB-CG2 3.89Å; L76-I88 HydrophobicContact CD1-CG2 3.89Å; L76-I88 HydrophobicContact CG-CG2 4.44Å; L76-E90 HydrophobicContact CD2-CB 3.97Å; L76-E90 HydrophobicContact CD2-CG 4.13Å
77L97.8Very high95.3Very high0 Ų031.6 Ų31.60%018%0.178CC..EExtended strand (participates in β ladder)trans-108.8117.2-179.9-176.768.7000109.9V19 F23 L32 L39 M64 L66 I79 I88 L89V19-L77 HydrophobicContact CG2-CD1 4.36Å; F23-L77 HydrophobicContact CD2-CB 4.22Å; F23-L77 HydrophobicContact CE2-CB 3.59Å; F23-L77 HydrophobicContact CZ-CB 4.02Å; L32-L77 HydrophobicContact CD2-CD1 3.69Å; L32-L77 HydrophobicContact CD2-CD2 3.68Å; L32-L77 HydrophobicContact CD2-CG 4.19Å; L39-L77 HydrophobicContact CD1-CD2 4.18Å; L39-L77 HydrophobicContact CD2-CD2 3.52Å; M64-L77 HydrophobicContact CG-CD1 3.58Å; M64-L77 HydrophobicContact CG-CG 4.39Å; M64-L77 HydrophobicContact SD-CD1 4.28Å; L66-L77 HydrophobicContact CD2-CB 4.14Å; L66-L77 HydrophobicContact CD2-CD1 3.79Å; L66-L77 HydrophobicContact CG-CD1 4.06Å; L77-I79 HydrophobicContact CD2-CD1 3.88Å; L77-I79 HydrophobicContact CD2-CG1 4.13Å; L77-I79 HydrophobicContact CG-CD1 4.37Å; L77-I79 HydrophobicContact CG-CG1 4.06Å; L77-I88 CarbonylContact O-C 3.38Å; L77-I88 WeakPolarHBondContact O-CA 3.48Å; L77-L89 HydrophobicContact CB-CB 4.29Å; L77-L89 HydrophobicContact CD2-CD1 4.38Å; L77-L89 PolarHBondContact N-O 3.29Å; L77-L89 PolarHBondContact O-N 3.32Å
78F97.9Very high95.4Very high0 Ų031.5 Ų31.50%018%0.178CC..EExtended strand (participates in β ladder)trans-88.6133.1168.5175.6-110.6000110M64 E65 F67 L80 A86 C87 I88 I124 I131 L133 L152M64-F78 WeakPolarHBondContact CA-O 3.44Å; E65-F78 PolarHBondContact N-O 3.1Å; E65-F78 PolarHBondContact O-N 2.86Å; F67-F78 HydrophobicContact CD1-CB 4.31Å; F67-F78 HydrophobicContact CE1-CB 3.94Å; F78-L80 HydrophobicContact CE1-CB 4.14Å; F78-L80 HydrophobicContact CZ-CB 4.13Å; F78-A86 HydrophobicContact CE2-CB 4Å; F78-A86 HydrophobicContact CZ-CB 4.29Å; F78-C87 WeakPolarHBondContact CA-O 3.38Å; F78-C87 WeakPolarHBondContact CD2-O 3.22Å; F78-I88 HydrophobicContact CD2-CG1 4.2Å; F78-I124 HydrophobicContact CB-CD1 3.88Å; F78-I124 HydrophobicContact CG-CD1 4.46Å; F78-I131 HydrophobicContact CB-CD1 4.31Å; F78-I131 HydrophobicContact CD1-CD1 4.15Å; F78-I131 HydrophobicContact CD1-CG2 4.31Å; F78-I131 HydrophobicContact CD2-CD1 3.34Å; F78-I131 HydrophobicContact CE1-CD1 4.32Å; F78-I131 HydrophobicContact CE1-CG2 3.84Å; F78-I131 HydrophobicContact CE2-CD1 3.52Å; F78-I131 HydrophobicContact CE2-CG2 4.47Å; F78-I131 HydrophobicContact CG-CD1 3.67Å; F78-I131 HydrophobicContact CZ-CD1 4.03Å; F78-I131 HydrophobicContact CZ-CG2 3.93Å; F78-L133 HydrophobicContact CE1-CD2 4.07Å; F78-L133 HydrophobicContact CZ-CD2 4.07Å; F78-L152 HydrophobicContact CE2-CD1 4.39Å
79I98Very high95.5Very high2 Ų227 Ų271%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-127.4137.1172.9-62.4-177.7000109.4M57 I61 V63 L77 A86 C87 L89M57-I79 HydrophobicContact CE-CG2 3.7Å; M57-I79 HydrophobicContact SD-CD1 4.41Å; M57-I79 HydrophobicContact SD-CG2 3.82Å; I61-I79 HydrophobicContact CG1-CG2 4.34Å; I61-I79 HydrophobicContact CG2-CG2 4.34Å; V63-I79 WeakPolarHBondContact O-CA 3.4Å; L77-I79 HydrophobicContact CD2-CD1 3.88Å; L77-I79 HydrophobicContact CD2-CG1 4.13Å; L77-I79 HydrophobicContact CG-CD1 4.37Å; L77-I79 HydrophobicContact CG-CG1 4.06Å; I79-A86 CarbonylContact O-C 3.11Å; I79-A86 VanDerWaalsContact O-CA 3.31Å; I79-A86 WeakPolarHBondContact O-CA 3.46Å; I79-C87 PolarHBondContact N-O 3.02Å; I79-C87 PolarHBondContact O-N 3.34Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å
80L98Very high95.6Very high0 Ų026.4 Ų26.40%016%0.156CC..EExtended strand (participates in β ladder)trans-120.5132.4165.1179.565.7000109.3A62 V63 F78 A86 V108 I120 L133 L135A62-L80 WeakPolarHBondContact CA-O 3.25Å; A62-L80 WeakPolarHBondContact CB-O 3.36Å; A62-L80 PolarHBondContact N-O 3.23Å; V63-L80 HydrophobicContact CB-CB 3.96Å; V63-L80 HydrophobicContact CG2-CB 4.19Å; V63-L80 HydrophobicContact CG2-CD2 4.19Å; V63-L80 PolarHBondContact N-O 2.86Å; V63-L80 PolarHBondContact O-N 2.77Å; F78-L80 HydrophobicContact CE1-CB 4.14Å; F78-L80 HydrophobicContact CZ-CB 4.13Å; L80-A86 HydrophobicContact CD1-CB 4.03Å; L80-V108 HydrophobicContact CD1-CG2 3.91Å; L80-I120 HydrophobicContact CD2-CG2 3.46Å; L80-I120 VanDerWaalsContact CD2-CG2 3.46Å; L80-I120 HydrophobicContact CG-CG2 4.42Å; L80-L133 HydrophobicContact CD2-CD1 4.33Å; L80-L133 HydrophobicContact CD2-CD2 4.06Å; L80-L135 HydrophobicContact CD2-CD2 3.66Å
81T97Very high95.9Very high1 Ų118.7 Ų18.71%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-93.8160.6176.863.80000112.3M57 K60 K83 Y84 N85 I1068M57-T81 HydrophobicContact CE-CG2 3.51Å; M57-T81 HydrophobicContact SD-CG2 3.97Å; K60-T81 CarbonylContact O-C 3.55Å; K60-T81 WeakPolarHBondContact O-CA 3.29Å; K60-T81 WeakPolarHBondContact O-CB 3.39Å; T81-K83 PolarHBondContact O-N 2.89Å; T81-Y84 WeakPolarHBondContact O-CA 3.44Å; T81-Y84 PolarHBondContact O-N 2.94Å; T81-N85 HydrophobicContact CG2-CB 4.39Å; T81-N85 PolarHBondContact N-O 2.87Å; T81-N85 WeakPolarHBondContact OG1-CA 3.49Å; T81-N85 WeakPolarHBondContact OG1-CB 3.2Å; T81-N85 PolarHBondContact OG1-N 2.8Å; T81-N85 PolarHBondContact OG1-O 2.89Å; T81-N85 VanDerWaalsContact OG1-O 3.07Å; T81-I1068 HydrophobicContact CG2-CD1 4.15Å
82A94.5Very high96.1Very high40 Ų4019.6 Ų19.633%0.33111%0.106SC..THydrogen-bonded Turntrans-60.2-2617500000113.7K60 Y84K60-A82 HydrophobicContact CB-CB 4.1Å; K60-A82 HydrophobicContact CD-CB 4.38Å; K60-A82 HydrophobicContact CG-CB 4.24Å; K60-A82 PolarHBondContact O-N 2.64Å; A82-Y84 VanDerWaalsContact C-N 3.27Å; A82-Y84 PolarHBondContact O-N 3.04Å
83K93.5Very high95.9Very high30 Ų3023.8 Ų23.813%0.1313%0.126CC..THydrogen-bonded Turntrans-91.324.2171.1-68.6-171.4178.2177.50112.8T81 N85 N107 H999 F1072T81-K83 PolarHBondContact O-N 2.89Å; K83-N85 PolarHBondContact O-N 2.83Å; K83-N85 VanDerWaalsContact O-N 3.08Å; K83-N107 PolarHBondContact O-ND2 3.04Å; K83-N107 VanDerWaalsContact O-ND2 3.13Å; K83-H999 WeakPolarHBondContact CE-NE2 3.32Å; K83-H999 PolarHBondContact NZ-CD2 2.9Å; K83-H999 VanDerWaalsContact NZ-CD2 3.34Å; K83-H999 PolarHBondContact NZ-NE2 2.86Å; K83-F1072 HydrophobicContact CB-CE1 4.15Å; K83-F1072 HydrophobicContact CB-CZ 4.16Å; K83-F1072 HydrophobicContact CD-CE1 4.02Å; K83-F1072 HydrophobicContact CD-CZ 4.16Å
84Y95.2Very high95.5Very high29 Ų2924 Ų2411%0.11413%0.127CC..  trans60.317.3173.6-45.2-71.8000116.3T81 A82 A86 V108 Q109 I120 L135T81-Y84 WeakPolarHBondContact O-CA 3.44Å; T81-Y84 PolarHBondContact O-N 2.94Å; A82-Y84 VanDerWaalsContact C-N 3.27Å; A82-Y84 PolarHBondContact O-N 3.04Å; Y84-A86 PolarHBondContact O-N 3.13Å; Y84-V108 WeakPolarHBondContact O-CG2 3.37Å; Y84-V108 PolarHBondContact O-N 3.38Å; Y84-Q109 HydrophobicContact CD2-CB 3.75Å; Y84-Q109 HydrophobicContact CD2-CG 3.6Å; Y84-Q109 HydrophobicContact CE2-CG 4.06Å; Y84-Q109 HydrophobicContact CG-CB 4.09Å; Y84-Q109 HydrophobicContact CG-CG 4.38Å; Y84-I120 HydrophobicContact CE1-CD1 4.06Å; Y84-L135 HydrophobicContact CD1-CD1 3.92Å; Y84-L135 HydrophobicContact CD1-CD2 4.35Å; Y84-L135 HydrophobicContact CE1-CB 4.19Å; Y84-L135 HydrophobicContact CE1-CD1 4.39Å; Y84-L135 HydrophobicContact CE1-CD2 4.47Å
85N96.6Very high94.8Very high21 Ų2125.6 Ų25.611%0.11215%0.152CC..EExtended strand (participates in β ladder)trans-74.5122.9165.3-62.4-60.6000108.7T81 K83 N107 I1068 F1072T81-N85 HydrophobicContact CG2-CB 4.39Å; T81-N85 PolarHBondContact N-O 2.87Å; T81-N85 WeakPolarHBondContact OG1-CA 3.49Å; T81-N85 WeakPolarHBondContact OG1-CB 3.2Å; T81-N85 PolarHBondContact OG1-N 2.8Å; T81-N85 PolarHBondContact OG1-O 2.89Å; T81-N85 VanDerWaalsContact OG1-O 3.07Å; K83-N85 PolarHBondContact O-N 2.83Å; K83-N85 VanDerWaalsContact O-N 3.08Å; N85-N107 PolarHBondContact OD1-ND2 2.92Å; N85-I1068 HydrophobicContact CB-CD1 3.61Å; N85-I1068 HydrophobicContact CB-CG1 3.88Å; N85-F1072 WeakPolarHBondContact ND2-CE1 3.42Å
86A97.7Very high93.6Very high2 Ų233.6 Ų33.62%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-107.7140.6176.200000109.2F78 I79 L80 Y84 H105 G106 V108 L152F78-A86 HydrophobicContact CE2-CB 4Å; F78-A86 HydrophobicContact CZ-CB 4.29Å; I79-A86 CarbonylContact O-C 3.11Å; I79-A86 VanDerWaalsContact O-CA 3.31Å; I79-A86 WeakPolarHBondContact O-CA 3.46Å; L80-A86 HydrophobicContact CD1-CB 4.03Å; Y84-A86 PolarHBondContact O-N 3.13Å; A86-H105 CarbonylContact O-C 3.59Å; A86-H105 WeakPolarHBondContact O-CA 3.47Å; A86-G106 PolarHBondContact N-O 3.3Å; A86-G106 PolarHBondContact O-N 3.04Å; A86-V108 HydrophobicContact CB-CG1 4.16Å; A86-V108 HydrophobicContact CB-CG2 4.41Å; A86-L152 HydrophobicContact CB-CD1 3.76Å
87C97.3Very high92.7Very high2 Ų236.1 Ų36.11%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-148.2155.7173.763.20000112.5F78 I79 L89 T102 A104 H105F78-C87 WeakPolarHBondContact CA-O 3.38Å; F78-C87 WeakPolarHBondContact CD2-O 3.22Å; I79-C87 PolarHBondContact N-O 3.02Å; I79-C87 PolarHBondContact O-N 3.34Å; C87-L89 HydrophobicContact CB-CD2 4.34Å; C87-T102 HydrophobicContact CB-CG2 4.25Å; C87-A104 CarbonylContact C-O 3.58Å; C87-A104 VanDerWaalsContact CA-O 3.27Å; C87-A104 WeakPolarHBondContact CA-O 3.13Å; C87-H105 HydrophobicContact CB-CB 4.1Å
88I97.2Very high92.1Very high12 Ų1238 Ų386%0.06222%0.217CC..EExtended strand (participates in β ladder)trans-115.2121.6170.5-61.9172000107.2F67 L76 L77 F78 R103 A104 L145 L152F67-I88 HydrophobicContact CE1-CG2 4.24Å; F67-I88 HydrophobicContact CZ-CD1 3.99Å; F67-I88 HydrophobicContact CZ-CG1 4.26Å; F67-I88 HydrophobicContact CZ-CG2 3.97Å; L76-I88 HydrophobicContact CB-CG2 3.89Å; L76-I88 HydrophobicContact CD1-CG2 3.89Å; L76-I88 HydrophobicContact CG-CG2 4.44Å; L77-I88 CarbonylContact O-C 3.38Å; L77-I88 WeakPolarHBondContact O-CA 3.48Å; F78-I88 HydrophobicContact CD2-CG1 4.2Å; I88-R103 HydrophobicContact CG2-CB 4.45Å; I88-R103 PolarHBondContact O-N 2.86Å; I88-A104 HydrophobicContact CB-CB 4.31Å; I88-A104 HydrophobicContact CD1-CB 4.22Å; I88-A104 HydrophobicContact CG1-CB 4.49Å; I88-A104 PolarHBondContact N-O 2.8Å; I88-A104 PolarHBondContact O-N 2.81Å; I88-L145 HydrophobicContact CD1-CD2 3.96Å; I88-L152 HydrophobicContact CD1-CD2 3.68Å; I88-L152 HydrophobicContact CG1-CD1 4.39Å; I88-L152 HydrophobicContact CG1-CD2 4.2Å
89L96.6Very high91.7Very high1 Ų142.7 Ų42.71%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-107.3147.5-177.4-52.6-176.1000111.1L77 I79 C87 I100 I101 T102 V1065L77-L89 HydrophobicContact CB-CB 4.29Å; L77-L89 HydrophobicContact CD2-CD1 4.38Å; L77-L89 PolarHBondContact N-O 3.29Å; L77-L89 PolarHBondContact O-N 3.32Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å; C87-L89 HydrophobicContact CB-CD2 4.34Å; L89-I100 HydrophobicContact CB-CG2 3.87Å; L89-I100 HydrophobicContact CD1-CG2 3.95Å; L89-I100 HydrophobicContact CG-CG2 4.33Å; L89-I101 CarbonylContact C-O 3.52Å; L89-I101 WeakPolarHBondContact CA-O 3.49Å; L89-T102 HydrophobicContact CD2-CG2 4.38Å; L89-V1065 HydrophobicContact CD1-CG1 3.44Å; L89-V1065 VanDerWaalsContact CD1-CG1 3.44Å; L89-V1065 HydrophobicContact CD2-CG1 3.6Å; L89-V1065 HydrophobicContact CG-CG1 4.19Å
90E95.7Very high91.5Very high16 Ų1643.7 Ų43.78%0.07525%0.247CC..EExtended strand (participates in β ladder)trans-131.7128.9178176.5-175.7-161.800109.3L76 K92 I101 R103L76-E90 HydrophobicContact CD2-CB 3.97Å; L76-E90 HydrophobicContact CD2-CG 4.13Å; E90-K92 HydrophobicContact CG-CG 4.22Å; E90-K92 VanDerWaalsContact OE1-CE 3.32Å; E90-K92 WeakPolarHBondContact OE1-CE 3.38Å; E90-K92 WeakPolarHBondContact OE2-CE 3.39Å; E90-K92 IonicContact OE2-NZ 3Å; E90-I101 PolarHBondContact N-O 2.96Å; E90-I101 PolarHBondContact O-N 2.83Å; E90-R103 HydrophobicContact CB-CG 4.04Å; E90-R103 VanDerWaalsContact CD-NE 3.29Å; E90-R103 VanDerWaalsContact CD-NH2 3.33Å; E90-R103 IonicContact OE1-CZ 3.45Å; E90-R103 IonicContact OE1-NE 2.79Å; E90-R103 IonicContact OE1-NH2 3.06Å; E90-R103 PolarHBondContact OE1-NH2 2.92Å; E90-R103 WeakPolarHBondContact OE2-CG 3.16Å; E90-R103 IonicContact OE2-CZ 3.67Å; E90-R103 IonicContact OE2-NE 2.94Å; E90-R103 PolarHBondContact OE2-NE 3.48Å; E90-R103 IonicContact OE2-NH2 3.71Å; E90-R103 PolarHBondContact OE2-NH2 3.17Å
91Y96Very high91.2Very high8 Ų846.7 Ų46.73%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-70131.1168.8-179.9-91.7000110.5F23 T24 V52 K74 Q93 I98 I100F23-Y91 WeakPolarHBondContact O-CB 3.44Å; T24-Y91 HydrophobicContact CG2-CD1 4.28Å; T24-Y91 HydrophobicContact CG2-CD2 3.89Å; T24-Y91 HydrophobicContact CG2-CE1 4.22Å; T24-Y91 HydrophobicContact CG2-CE2 3.81Å; T24-Y91 HydrophobicContact CG2-CG 4.13Å; T24-Y91 WeakPolarHBondContact O-CD1 3.3Å; V52-Y91 HydrophobicContact CG1-CE2 3.84Å; K74-Y91 WeakPolarHBondContact CE-O 3.44Å; K74-Y91 PolarHBondContact NZ-O 3.21Å; Y91-Q93 HydrophobicContact CE1-CB 3.76Å; Y91-Q93 PolarHBondContact OH-OE1 2.8Å; Y91-I98 HydrophobicContact CD2-CG2 4.14Å; Y91-I98 HydrophobicContact CE2-CG2 3.34Å; Y91-I100 HydrophobicContact CD2-CD1 3.72Å; Y91-I100 HydrophobicContact CG-CD1 4.39Å
92K93.6Very high91.2Very high88 Ų8847.5 Ų47.538%0.38327%0.268SS..EExtended strand (participates in β ladder)trans-132.5140.2167.4-65.4-152-170168.10110.8E90 D99 I101E90-K92 HydrophobicContact CG-CG 4.22Å; E90-K92 VanDerWaalsContact OE1-CE 3.32Å; E90-K92 WeakPolarHBondContact OE1-CE 3.38Å; E90-K92 WeakPolarHBondContact OE2-CE 3.39Å; E90-K92 IonicContact OE2-NZ 3Å; K92-D99 PolarHBondContact N-O 3.22Å; K92-D99 PolarHBondContact O-N 2.82Å; K92-D99 VanDerWaalsContact O-O 3.09Å; K92-I101 HydrophobicContact CB-CD1 4.07Å; K92-I101 HydrophobicContact CB-CG1 4.41Å; K92-I101 HydrophobicContact CD-CD1 3.4Å; K92-I101 VanDerWaalsContact CD-CD1 3.4Å; K92-I101 HydrophobicContact CD-CG1 4.37Å; K92-I101 HydrophobicContact CG-CD1 3.72Å; K92-I101 HydrophobicContact CG-CG1 4.18Å
93Q88.9Confident91.2Very high114 Ų11449 Ų4953%0.53327%0.265SS..EExtended strand (participates in β ladder)trans-125.3125.6176.2-175.3169.6100109Y91 G95 S97 I98Y91-Q93 HydrophobicContact CE1-CB 3.76Å; Y91-Q93 PolarHBondContact OH-OE1 2.8Å; Q93-G95 WeakPolarHBondContact CG-O 3.46Å; Q93-G95 PolarHBondContact NE2-O 2.97Å; Q93-S97 CarbonylContact C-O 3.6Å; Q93-S97 WeakPolarHBondContact CA-O 3.41Å; Q93-I98 HydrophobicContact CG-CG1 4.23Å
94S83.3Confident91.3Very high85 Ų8547.7 Ų47.759%0.59426%0.26SS*.EExtended strand (participates in β ladder)trans-122.298.1175.8-630000108.6E96 S97S94-E96 PolarHBondContact O-N 3.35Å; S94-S97 PolarHBondContact N-O 2.83Å; S94-S97 PolarHBondContact O-N 2.95Å; S94-S97 VanDerWaalsContact O-N 3.13Å; S94-S97 PolarHBondContact O-OG 3.02Å
95G81.2Confident91.3Very high64 Ų6449 Ų4966%0.6627%0.267SS*.THydrogen-bonded Turntrans63.5-125.3-169.300000110.7Q93Q93-G95 WeakPolarHBondContact CG-O 3.46Å; Q93-G95 PolarHBondContact NE2-O 2.97Å
96E73.3Confident91.3Very high183 Ų18348.9 Ų48.986%0.85527%0.27SS*.THydrogen-bonded Turntrans-84.1-13176-62.8-177.3170.900113S94S94-E96 PolarHBondContact O-N 3.35Å
97S76.6Confident91.1Very high60 Ų6052.1 Ų52.142%0.4229%0.287SS..EExtended strand (participates in β ladder)trans-80.3125.3-179.667.10000111.9Q93 S94Q93-S97 CarbonylContact C-O 3.6Å; Q93-S97 WeakPolarHBondContact CA-O 3.41Å; S94-S97 PolarHBondContact N-O 2.83Å; S94-S97 PolarHBondContact O-N 2.95Å; S94-S97 VanDerWaalsContact O-N 3.13Å; S94-S97 PolarHBondContact O-OG 3.02Å
98I86.4Confident91Very high40 Ų4052.3 Ų52.321%0.20529%0.288CS..EExtended strand (participates in β ladder)trans-109.9123.5178.1-63173.8000109.1V52 K53 Y91 Q93V52-I98 HydrophobicContact CG1-CD1 3.96Å; K53-I98 HydrophobicContact CB-CG2 4.37Å; K53-I98 HydrophobicContact CD-CG2 4.39Å; K53-I98 HydrophobicContact CG-CG2 4.41Å; Y91-I98 HydrophobicContact CD2-CG2 4.14Å; Y91-I98 HydrophobicContact CE2-CG2 3.34Å; Q93-I98 HydrophobicContact CG-CG1 4.23Å
99D88.8Confident90.8Very high98 Ų9856.4 Ų56.452%0.52431%0.307SS..EExtended strand (participates in β ladder)trans-127.2143.6179-79.2-34.2000111.6K92K92-D99 PolarHBondContact N-O 3.22Å; K92-D99 PolarHBondContact O-N 2.82Å; K92-D99 VanDerWaalsContact O-O 3.09Å
100I93.3Very high90.6Very high23 Ų2358 Ų5812%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-105.9111.6169.4-58.2-53000108.9F23 I41 V55 L89 Y91F23-I100 HydrophobicContact CE1-CD1 4.08Å; I41-I100 HydrophobicContact CD1-CD1 3.81Å; I41-I100 HydrophobicContact CD1-CG1 4.29Å; V55-I100 HydrophobicContact CG2-CG1 3.78Å; L89-I100 HydrophobicContact CB-CG2 3.87Å; L89-I100 HydrophobicContact CD1-CG2 3.95Å; L89-I100 HydrophobicContact CG-CG2 4.33Å; Y91-I100 HydrophobicContact CD2-CD1 3.72Å; Y91-I100 HydrophobicContact CG-CD1 4.39Å
101I93.3Very high89.9Confident63 Ų6369.2 Ų69.232%0.32336%0.357SS..EExtended strand (participates in β ladder)trans-96.9132-173.8-57.7-168.4000110.3L89 E90 K92 R103L89-I101 CarbonylContact C-O 3.52Å; L89-I101 WeakPolarHBondContact CA-O 3.49Å; E90-I101 PolarHBondContact N-O 2.96Å; E90-I101 PolarHBondContact O-N 2.83Å; K92-I101 HydrophobicContact CB-CD1 4.07Å; K92-I101 HydrophobicContact CB-CG1 4.41Å; K92-I101 HydrophobicContact CD-CD1 3.4Å; K92-I101 VanDerWaalsContact CD-CD1 3.4Å; K92-I101 HydrophobicContact CD-CG1 4.37Å; K92-I101 HydrophobicContact CG-CD1 3.72Å; K92-I101 HydrophobicContact CG-CG1 4.18Å; I101-R103 PolarHBondContact O-N 2.88Å
102T95.5Very high89.3Confident19 Ų1976.2 Ų76.212%0.11739%0.394CS..EExtended strand (participates in β ladder)trans-78.9101.2168.7-53.70000110.2C87 L89 H105 G1066 K1067C87-T102 HydrophobicContact CB-CG2 4.25Å; L89-T102 HydrophobicContact CD2-CG2 4.38Å; T102-H105 HydrophobicContact CG2-CB 3.82Å; T102-G1066 PolarHBondContact OG1-N 2.79Å; T102-K1067 HydrophobicContact CG2-CG 4.33Å
103R94.2Very high88.7Confident70 Ų7073.7 Ų73.726%0.26439%0.393SS..EExtended strand (participates in β ladder)trans-70-48.3176.5-89.7-147-178.3176.515.4111.7E72 I88 E90 I101E72-R103 IonicContact OE1-CZ 3.36Å; E72-R103 IonicContact OE1-NH1 2.75Å; E72-R103 PolarHBondContact OE1-NH1 2.85Å; E72-R103 IonicContact OE1-NH2 3.39Å; E72-R103 PolarHBondContact OE1-NH2 3.1Å; E72-R103 IonicContact OE2-CZ 3.44Å; E72-R103 IonicContact OE2-NH1 3.52Å; E72-R103 IonicContact OE2-NH2 3.19Å; E72-R103 PolarHBondContact OE2-NH2 3.4Å; I88-R103 HydrophobicContact CG2-CB 4.45Å; I88-R103 PolarHBondContact O-N 2.86Å; E90-R103 HydrophobicContact CB-CG 4.04Å; E90-R103 VanDerWaalsContact CD-NE 3.29Å; E90-R103 VanDerWaalsContact CD-NH2 3.33Å; E90-R103 IonicContact OE1-CZ 3.45Å; E90-R103 IonicContact OE1-NE 2.79Å; E90-R103 IonicContact OE1-NH2 3.06Å; E90-R103 PolarHBondContact OE1-NH2 2.92Å; E90-R103 WeakPolarHBondContact OE2-CG 3.16Å; E90-R103 IonicContact OE2-CZ 3.67Å; E90-R103 IonicContact OE2-NE 2.94Å; E90-R103 PolarHBondContact OE2-NE 3.48Å; E90-R103 IonicContact OE2-NH2 3.71Å; E90-R103 PolarHBondContact OE2-NH2 3.17Å; I101-R103 PolarHBondContact O-N 2.88Å
104A96Very high88.7Confident4 Ų475.4 Ų75.43%0.03339%0.394CS..EExtended strand (participates in β ladder)trans-139151.4178.900000110.5C87 I88 N149 K150 L152C87-A104 CarbonylContact C-O 3.58Å; C87-A104 VanDerWaalsContact CA-O 3.27Å; C87-A104 WeakPolarHBondContact CA-O 3.13Å; I88-A104 HydrophobicContact CB-CB 4.31Å; I88-A104 HydrophobicContact CD1-CB 4.22Å; I88-A104 HydrophobicContact CG1-CB 4.49Å; I88-A104 PolarHBondContact N-O 2.8Å; I88-A104 PolarHBondContact O-N 2.81Å; A104-N149 WeakPolarHBondContact CB-O 3.41Å; A104-K150 VanDerWaalsContact CA-O 3.26Å; A104-K150 WeakPolarHBondContact CA-O 3.37Å; A104-L152 HydrophobicContact CB-CD2 3.6Å; A104-L152 HydrophobicContact CB-CG 3.92Å
105H96.4Very high89Confident56 Ų5674.9 Ų74.926%0.25939%0.389SS..EExtended strand (participates in β ladder)trans-157.1162.8178.864.7-48.7000110.9A86 C87 T102 K150 E151 L152 G1066 K1067A86-H105 CarbonylContact O-C 3.59Å; A86-H105 WeakPolarHBondContact O-CA 3.47Å; C87-H105 HydrophobicContact CB-CB 4.1Å; T102-H105 HydrophobicContact CG2-CB 3.82Å; H105-K150 PolarHBondContact N-O 2.88Å; H105-K150 VanDerWaalsContact N-O 3.16Å; H105-K150 PolarHBondContact ND1-O 2.89Å; H105-E151 WeakPolarHBondContact O-CA 3.29Å; H105-L152 PolarHBondContact O-N 2.81Å; H105-G1066 WeakPolarHBondContact CB-O 3.37Å; H105-K1067 VanDerWaalsContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact NE2-CD 3.3Å
106G95.3Very high89.4Confident18 Ų1872.5 Ų72.519%0.18636%0.363CS..EExtended strand (participates in β ladder)trans178.1160173.300000111A86A86-G106 PolarHBondContact N-O 3.3Å; A86-G106 PolarHBondContact O-N 3.04Å
107N94.9Very high90.1Very high70 Ų7070.1 Ų70.137%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-96.8122168.3-170.3-67000108.6K83 N85 Q109K83-N107 PolarHBondContact O-ND2 3.04Å; K83-N107 VanDerWaalsContact O-ND2 3.13Å; N85-N107 PolarHBondContact OD1-ND2 2.92Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Q109 PolarHBondContact OD1-N 3Å
108V95.1Very high90.7Very high6 Ų669.5 Ų69.54%0.03635%0.345CS..  trans-101.812.5-173.8-62.30000113.3L80 Y84 A86 L133 L135 K141 I143 A154L80-V108 HydrophobicContact CD1-CG2 3.91Å; Y84-V108 WeakPolarHBondContact O-CG2 3.37Å; Y84-V108 PolarHBondContact O-N 3.38Å; A86-V108 HydrophobicContact CB-CG1 4.16Å; A86-V108 HydrophobicContact CB-CG2 4.41Å; V108-L133 HydrophobicContact CG2-CD1 3.96Å; V108-L135 HydrophobicContact CG2-CD1 3.9Å; V108-K141 HydrophobicContact CB-CD 3.88Å; V108-K141 HydrophobicContact CG2-CD 4.34Å; V108-K141 WeakPolarHBondContact O-CD 3.32Å; V108-K141 WeakPolarHBondContact O-CE 3.35Å; V108-K141 PolarHBondContact O-NZ 2.88Å; V108-I143 HydrophobicContact CG1-CD1 4.07Å; V108-A154 HydrophobicContact CB-CB 4.43Å; V108-A154 HydrophobicContact CG1-CB 4.05Å
109Q93.3Very high91Very high98 Ų9869.3 Ų69.346%0.45835%0.353SS..  trans-61.4135.3177.5-170.8173.70.900111.6Y84 N107 Y136Y84-Q109 HydrophobicContact CD2-CB 3.75Å; Y84-Q109 HydrophobicContact CD2-CG 3.6Å; Y84-Q109 HydrophobicContact CE2-CG 4.06Å; Y84-Q109 HydrophobicContact CG-CB 4.09Å; Y84-Q109 HydrophobicContact CG-CG 4.38Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Q109 PolarHBondContact OD1-N 3Å; Q109-Y136 WeakPolarHBondContact CG-OH 3.38Å
110D90.6Very high91.3Very high35 Ų3566.9 Ų66.919%0.18734%0.339CS..  trans-87.4146.1167.3-71-49.4000110.9I112 Y136 K141 N156D110-I112 VanDerWaalsContact C-N 3.29Å; D110-I112 PolarHBondContact O-N 2.85Å; D110-Y136 HydrophobicContact CB-CD2 4.23Å; D110-Y136 HydrophobicContact CB-CE2 3.61Å; D110-Y136 PolarHBondContact N-OH 3.29Å; D110-Y136 WeakPolarHBondContact OD2-CD2 3.38Å; D110-Y136 VanDerWaalsContact OD2-CE2 3.22Å; D110-Y136 WeakPolarHBondContact OD2-CE2 3.33Å; D110-K141 IonicContact OD1-NZ 3.56Å; D110-K141 PolarHBondContact OD1-NZ 2.85Å; D110-K141 VanDerWaalsContact OD2-CE 3.27Å; D110-K141 WeakPolarHBondContact OD2-CE 3.36Å; D110-K141 IonicContact OD2-NZ 2.75Å; D110-K141 PolarHBondContact OD2-NZ 3.01Å; D110-N156 VanDerWaalsContact CG-ND2 3.26Å; D110-N156 PolarHBondContact OD1-ND2 3.14Å; D110-N156 PolarHBondContact OD2-ND2 3.04Å
111R82.9Confident91.5Very high251 Ų25166.9 Ų66.995%0.94734%0.339SS*.SBendtrans-69-29.5176.8-66.9-176.9-179.4-178.8-0.5113
112I81.5Confident91.7Very high155 Ų15564 Ų6480%0.79533%0.326SS*.SBendtrans-138.4121.9-176.6-55.2173.7000106.7D110D110-I112 VanDerWaalsContact C-N 3.29Å; D110-I112 PolarHBondContact O-N 2.85Å
113G81.3Confident91.8Very high35 Ų3563.4 Ų63.436%0.36132%0.322SS..  trans172.2141.3178.300000109P115G113-P115 WeakPolarHBondContact O-CD 3.32Å
114R88.9Confident91.9Very high150 Ų15061.4 Ų61.457%0.56632%0.316SS*.  trans-79115.8171.2-178.2-179.5-178.3-175.13.9107.4S116 E117 Y136 D137R114-S116 PolarHBondContact O-N 3.37Å; R114-E117 IonicContact CZ-OE1 3.55Å; R114-E117 IonicContact NE-OE1 3.6Å; R114-E117 IonicContact NH2-OE1 3.56Å; R114-E117 PolarHBondContact NH2-OE1 2.78Å; R114-E117 IonicContact NH2-OE2 2.7Å; R114-Y136 CarbonylContact O-C 3.46Å; R114-Y136 WeakPolarHBondContact O-CA 3.37Å; R114-Y136 WeakPolarHBondContact O-CB 3.26Å; R114-D137 WeakPolarHBondContact CD-OD2 3.47Å; R114-D137 IonicContact NE-OD2 2.77Å; R114-D137 PolarHBondContact O-N 3.23Å
115P90.3Very high92Very high75 Ų7561.2 Ų61.249%0.48731%0.314SS..BIsolated β-bridgetrans-55140174.1-2334.3000109.4G113G113-P115 WeakPolarHBondContact O-CD 3.32Å
116S90.3Very high91.9Very high14 Ų1460.9 Ų60.910%0.09832%0.317CS..  trans-78.3132.5-171.7-168.30000112R114 T118 G119 R134 L135 D137R114-S116 PolarHBondContact O-N 3.37Å; S116-T118 VanDerWaalsContact C-N 3.27Å; S116-T118 PolarHBondContact O-N 3.31Å; S116-G119 PolarHBondContact O-N 2.84Å; S116-R134 PolarHBondContact OG-NH1 3.42Å; S116-L135 PolarHBondContact N-O 3.07Å; S116-L135 VanDerWaalsContact N-O 3.09Å; S116-D137 WeakPolarHBondContact CA-OD1 3.07Å; S116-D137 VanDerWaalsContact CB-OD1 3.22Å; S116-D137 WeakPolarHBondContact CB-OD1 3.41Å; S116-D137 PolarHBondContact OG-OD1 2.9Å
117E87.2Confident91.9Very high133 Ų13364.1 Ų64.162%0.62133%0.327SS*.THydrogen-bonded Turntrans-71.7-22.6-172.6-65.4-179.2164.800112.8R114 G119R114-E117 IonicContact CZ-OE1 3.55Å; R114-E117 IonicContact NE-OE1 3.6Å; R114-E117 IonicContact NH2-OE1 3.56Å; R114-E117 PolarHBondContact NH2-OE1 2.78Å; R114-E117 IonicContact NH2-OE2 2.7Å; E117-G119 PolarHBondContact O-N 2.89Å
118T89.7Confident91.9Very high47 Ų4761.8 Ų61.829%0.28832%0.316SS..THydrogen-bonded Turntrans-85.614.6176.453.60000112.8S116 R134 V164S116-T118 VanDerWaalsContact C-N 3.27Å; S116-T118 PolarHBondContact O-N 3.31Å; T118-R134 PolarHBondContact O-NH2 2.97Å; T118-R134 PolarHBondContact OG1-NH1 3.31Å; T118-R134 PolarHBondContact OG1-NH2 3.42Å; T118-R134 VanDerWaalsContact OG1-NH2 3.12Å; T118-V164 PolarHBondContact OG1-O 2.69Å
119G91.4Very high91.9Very high35 Ų3563.8 Ų63.836%0.36132%0.323SS..  trans99.5-162172.100000115.6S116 E117 R134S116-G119 PolarHBondContact O-N 2.84Å; E117-G119 PolarHBondContact O-N 2.89Å; G119-R134 PolarHBondContact O-NH1 2.81Å
120I95.7Very high92.1Very high47 Ų4759.1 Ų59.124%0.24130%0.301CS..  trans-109.9126.5174.5-70.6173.6000107.6A62 V63 L80 Y84 L135A62-I120 HydrophobicContact CB-CB 4.33Å; A62-I120 HydrophobicContact CB-CD1 4.12Å; A62-I120 HydrophobicContact CB-CG2 4.21Å; V63-I120 HydrophobicContact CG2-CG2 3.86Å; L80-I120 HydrophobicContact CD2-CG2 3.46Å; L80-I120 VanDerWaalsContact CD2-CG2 3.46Å; L80-I120 HydrophobicContact CG-CG2 4.42Å; Y84-I120 HydrophobicContact CE1-CD1 4.06Å; I120-L135 HydrophobicContact CG2-CD2 3.74Å
121I96.7Very high92.4Very high23 Ų2357.4 Ų57.412%0.11829%0.292CS..EExtended strand (participates in β ladder)trans-116.1132.9172.7-63.7172.6000109I123 L133 R134I121-I123 HydrophobicContact CG2-CG2 3.97Å; I121-L133 CarbonylContact O-C 3.52Å; I121-L133 WeakPolarHBondContact O-CA 3.37Å; I121-R134 HydrophobicContact CB-CB 4.25Å; I121-R134 VanDerWaalsContact CG1-NH2 3.3Å; I121-R134 PolarHBondContact N-O 3.25Å; I121-R134 VanDerWaalsContact N-O 3.16Å; I121-R134 PolarHBondContact O-N 2.91Å
122G97.5Very high93.1Very high4 Ų445.5 Ų45.54%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-128.6132.9166.900000110G132G122-G132 WeakPolarHBondContact CA-O 3.42Å
123I97.8Very high93.9Very high6 Ų638.1 Ų38.13%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-135146.1-17750.7170000110.1I121 I131 G132 F140 V167 K168 F169 I178I121-I123 HydrophobicContact CG2-CG2 3.97Å; I123-I131 CarbonylContact O-C 3.51Å; I123-I131 WeakPolarHBondContact O-CA 3.42Å; I123-I131 WeakPolarHBondContact O-CG2 3.45Å; I123-G132 VanDerWaalsContact CG1-O 3.29Å; I123-G132 WeakPolarHBondContact CG1-O 3.07Å; I123-G132 PolarHBondContact N-O 2.78Å; I123-G132 PolarHBondContact O-N 2.83Å; I123-F140 HydrophobicContact CD1-CE2 4.41Å; I123-F140 HydrophobicContact CD1-CZ 4.37Å; I123-V167 HydrophobicContact CD1-CB 4.2Å; I123-V167 HydrophobicContact CD1-CG1 3.6Å; I123-V167 VanDerWaalsContact CG2-O 3.3Å; I123-V167 WeakPolarHBondContact CG2-O 3.47Å; I123-K168 HydrophobicContact CG2-CD 3.96Å; I123-F169 HydrophobicContact CB-CD2 4.03Å; I123-F169 HydrophobicContact CB-CE2 4.37Å; I123-F169 HydrophobicContact CD1-CD2 3.55Å; I123-F169 HydrophobicContact CD1-CE2 3.72Å; I123-F169 HydrophobicContact CD1-CG 4.18Å; I123-F169 HydrophobicContact CD1-CZ 4.45Å; I123-F169 HydrophobicContact CG1-CD2 3.71Å; I123-F169 HydrophobicContact CG1-CE2 3.67Å; I123-I178 HydrophobicContact CD1-CG2 4.24Å
124I97.6Very high94.6Very high27 Ų2736.7 Ų36.714%0.13819%0.193CC..EExtended strand (participates in β ladder)trans-111.2132178.3-53.5-174000108.3E65 F67 F78 I131 L145 F169E65-I124 HydrophobicContact CB-CD1 3.68Å; E65-I124 HydrophobicContact CB-CG1 4.13Å; F67-I124 HydrophobicContact CB-CD1 3.84Å; F67-I124 HydrophobicContact CB-CG2 3.95Å; F67-I124 HydrophobicContact CD1-CD1 3.44Å; F67-I124 VanDerWaalsContact CD1-CD1 3.44Å; F67-I124 HydrophobicContact CD2-CG2 4.43Å; F67-I124 HydrophobicContact CE1-CD1 4.16Å; F67-I124 HydrophobicContact CG-CD1 3.73Å; F67-I124 HydrophobicContact CG-CG2 4.21Å; F78-I124 HydrophobicContact CB-CD1 3.88Å; F78-I124 HydrophobicContact CG-CD1 4.46Å; I124-I131 HydrophobicContact CG1-CG1 4.21Å; I124-L145 HydrophobicContact CG2-CD1 4.13Å; I124-F169 VanDerWaalsContact C-CD2 3.49Å
125D97.6Very high94.9Very high1 Ų129.6 Ų29.61%0.00517%0.167CC..  trans-60.9132.5173.5170.377.9000110E127 C128 R129 M130 F169D125-E127 PolarHBondContact O-N 3.47Å; D125-E127 VanDerWaalsContact O-N 3.07Å; D125-E127 WeakPolarHBondContact OD2-CB 3.48Å; D125-E127 PolarHBondContact OD2-N 3.05Å; D125-E127 VanDerWaalsContact OD2-N 3.15Å; D125-C128 WeakPolarHBondContact O-CA 3.44Å; D125-C128 PolarHBondContact O-N 2.83Å; D125-C128 PolarHBondContact OD2-N 2.99Å; D125-R129 VanDerWaalsContact CG-NE 3.35Å; D125-R129 IonicContact OD1-CZ 3.15Å; D125-R129 IonicContact OD1-NE 3.94Å; D125-R129 PolarHBondContact OD1-NE 2.88Å; D125-R129 IonicContact OD1-NH2 3.32Å; D125-R129 PolarHBondContact OD1-NH2 3Å; D125-R129 WeakPolarHBondContact OD2-CB 3.42Å; D125-R129 WeakPolarHBondContact OD2-CG 3.27Å; D125-R129 IonicContact OD2-CZ 2.92Å; D125-R129 PolarHBondContact OD2-N 2.88Å; D125-R129 VanDerWaalsContact OD2-N 3.16Å; D125-R129 IonicContact OD2-NE 2.7Å; D125-R129 PolarHBondContact OD2-NE 2.79Å; D125-R129 IonicContact OD2-NH2 2.8Å; D125-M130 HydrophobicContact CB-CG 4.03Å; D125-M130 WeakPolarHBondContact CB-O 3.48Å; D125-M130 PolarHBondContact N-O 3.44Å; D125-F169 HydrophobicContact CB-CD1 4.24Å; D125-F169 HydrophobicContact CB-CD2 4.06Å; D125-F169 HydrophobicContact CB-CE1 4.39Å; D125-F169 HydrophobicContact CB-CE2 4.2Å; D125-F169 HydrophobicContact CB-CG 4.09Å; D125-F169 HydrophobicContact CB-CZ 4.38Å; D125-F169 VanDerWaalsContact N-CD2 3.32Å
126P95Very high95.1Very high49 Ų4926.4 Ų26.432%0.31815%0.145SC..THydrogen-bonded Turntrans-56.2-27.7-176.4-30.636000115.2C128 F169 Y171P126-C128 VanDerWaalsContact C-N 3.25Å; P126-C128 PolarHBondContact O-N 2.96Å; P126-F169 HydrophobicContact CG-CB 4.48Å; P126-Y171 HydrophobicContact CB-CD1 3.53Å; P126-Y171 HydrophobicContact CB-CE1 3.61Å; P126-Y171 HydrophobicContact CB-CG 4.39Å; P126-Y171 HydrophobicContact CG-CD1 3.6Å; P126-Y171 HydrophobicContact CG-CD2 4.5Å; P126-Y171 HydrophobicContact CG-CE1 3.66Å; P126-Y171 HydrophobicContact CG-CG 4.03Å
127E94.6Very high95.2Very high85 Ų8527.2 Ų27.240%0.39715%0.148SC..THydrogen-bonded Turntrans-88.28.5175.6-58.9-167.4155.500113.2D125 R129D125-E127 PolarHBondContact O-N 3.47Å; D125-E127 VanDerWaalsContact O-N 3.07Å; D125-E127 WeakPolarHBondContact OD2-CB 3.48Å; D125-E127 PolarHBondContact OD2-N 3.05Å; D125-E127 VanDerWaalsContact OD2-N 3.15Å; E127-R129 VanDerWaalsContact C-N 3.26Å; E127-R129 HydrophobicContact CB-CG 3.96Å; E127-R129 PolarHBondContact O-N 3.1Å; E127-R129 WeakPolarHBondContact OE2-CD 3.49Å; E127-R129 IonicContact OE2-CZ 2.71Å; E127-R129 IonicContact OE2-NE 2.89Å; E127-R129 PolarHBondContact OE2-NE 2.81Å; E127-R129 IonicContact OE2-NH1 3.47Å; E127-R129 PolarHBondContact OE2-NH1 2.85Å
128C95.1Very high95.5Very high22 Ų2221.4 Ų21.415%0.14912%0.124CC..SBendtrans56.734.5-177.2-60.50000113.4F67 R68 D125 P126 L145F67-C128 HydrophobicContact CD2-CB 4.36Å; R68-C128 PolarHBondContact O-SG 3.27Å; R68-C128 VanDerWaalsContact O-SG 3.33Å; D125-C128 WeakPolarHBondContact O-CA 3.44Å; D125-C128 PolarHBondContact O-N 2.83Å; D125-C128 PolarHBondContact OD2-N 2.99Å; P126-C128 VanDerWaalsContact C-N 3.25Å; P126-C128 PolarHBondContact O-N 2.96Å; C128-L145 HydrophobicContact CB-CD1 4.38Å; C128-L145 WeakPolarHBondContact O-CB 3.33Å; C128-L145 WeakPolarHBondContact O-CD1 3.36Å
129R95.1Very high95.8Very high47 Ų4721.1 Ų21.118%0.17712%0.121CC..SBendtrans-78.4-34.6179.8-63.2171.5-69.4-161.44.7112.5D125 E127 L145 C173 Q174 P176D125-R129 VanDerWaalsContact CG-NE 3.35Å; D125-R129 IonicContact OD1-CZ 3.15Å; D125-R129 IonicContact OD1-NE 3.94Å; D125-R129 PolarHBondContact OD1-NE 2.88Å; D125-R129 IonicContact OD1-NH2 3.32Å; D125-R129 PolarHBondContact OD1-NH2 3Å; D125-R129 WeakPolarHBondContact OD2-CB 3.42Å; D125-R129 WeakPolarHBondContact OD2-CG 3.27Å; D125-R129 IonicContact OD2-CZ 2.92Å; D125-R129 PolarHBondContact OD2-N 2.88Å; D125-R129 VanDerWaalsContact OD2-N 3.16Å; D125-R129 IonicContact OD2-NE 2.7Å; D125-R129 PolarHBondContact OD2-NE 2.79Å; D125-R129 IonicContact OD2-NH2 2.8Å; E127-R129 VanDerWaalsContact C-N 3.26Å; E127-R129 HydrophobicContact CB-CG 3.96Å; E127-R129 PolarHBondContact O-N 3.1Å; E127-R129 WeakPolarHBondContact OE2-CD 3.49Å; E127-R129 IonicContact OE2-CZ 2.71Å; E127-R129 IonicContact OE2-NE 2.89Å; E127-R129 PolarHBondContact OE2-NE 2.81Å; E127-R129 IonicContact OE2-NH1 3.47Å; E127-R129 PolarHBondContact OE2-NH1 2.85Å; R129-L145 PolarHBondContact O-N 2.8Å; R129-L145 VanDerWaalsContact O-N 3.14Å; R129-C173 PolarHBondContact NH1-O 3.04Å; R129-C173 PolarHBondContact NH2-O 3.48Å; R129-Q174 PolarHBondContact NH1-O 3Å; R129-P176 HydrophobicContact CB-CG 4.27Å; R129-P176 VanDerWaalsContact NH2-CA 3.31Å
130M96.4Very high96Very high0 Ų019.6 Ų19.60%010%0.104CC..EExtended strand (participates in β ladder)trans-158.9162.9-17763.9176.36000111.9D125 V142 I143 F169 P176 V195 L197D125-M130 HydrophobicContact CB-CG 4.03Å; D125-M130 WeakPolarHBondContact CB-O 3.48Å; D125-M130 PolarHBondContact N-O 3.44Å; M130-V142 HydrophobicContact CB-CG1 4.04Å; M130-V142 HydrophobicContact CE-CG1 4.05Å; M130-V142 HydrophobicContact CG-CG1 4.47Å; M130-V142 HydrophobicContact SD-CG1 3.81Å; M130-I143 CarbonylContact C-O 3.52Å; M130-I143 WeakPolarHBondContact CA-O 3.37Å; M130-F169 HydrophobicContact CG-CE1 4.25Å; M130-F169 HydrophobicContact CG-CE2 4.34Å; M130-F169 HydrophobicContact CG-CZ 3.7Å; M130-F169 HydrophobicContact SD-CE1 3.86Å; M130-F169 HydrophobicContact SD-CZ 3.57Å; M130-F169 VanDerWaalsContact SD-CZ 3.57Å; M130-P176 HydrophobicContact CE-CB 3.79Å; M130-P176 HydrophobicContact CE-CG 3.57Å; M130-P176 HydrophobicContact CG-CB 4.34Å; M130-P176 HydrophobicContact SD-CB 3.84Å; M130-P176 HydrophobicContact SD-CG 4.26Å; M130-V195 HydrophobicContact CE-CB 4.07Å; M130-V195 HydrophobicContact CE-CG1 3.77Å; M130-V195 HydrophobicContact SD-CB 4.07Å; M130-V195 HydrophobicContact SD-CG1 3.84Å; M130-V195 HydrophobicContact SD-CG2 4.39Å; M130-L197 HydrophobicContact CE-CD1 3.69Å; M130-L197 HydrophobicContact CE-CD2 3.38Å; M130-L197 HydrophobicContact CE-CG 3.28Å
131I97.7Very high96.1Very high0 Ų017.7 Ų17.70%09%0.094CC..EExtended strand (participates in β ladder)trans-104.6131.2161.8-52.3179.8000107.7F78 I123 I124 L133 V142 I143 L145F78-I131 HydrophobicContact CB-CD1 4.31Å; F78-I131 HydrophobicContact CD1-CD1 4.15Å; F78-I131 HydrophobicContact CD1-CG2 4.31Å; F78-I131 HydrophobicContact CD2-CD1 3.34Å; F78-I131 HydrophobicContact CE1-CD1 4.32Å; F78-I131 HydrophobicContact CE1-CG2 3.84Å; F78-I131 HydrophobicContact CE2-CD1 3.52Å; F78-I131 HydrophobicContact CE2-CG2 4.47Å; F78-I131 HydrophobicContact CG-CD1 3.67Å; F78-I131 HydrophobicContact CZ-CD1 4.03Å; F78-I131 HydrophobicContact CZ-CG2 3.93Å; I123-I131 CarbonylContact O-C 3.51Å; I123-I131 WeakPolarHBondContact O-CA 3.42Å; I123-I131 WeakPolarHBondContact O-CG2 3.45Å; I124-I131 HydrophobicContact CG1-CG1 4.21Å; I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.23Å; I131-V142 WeakPolarHBondContact O-CA 3.37Å; I131-I143 HydrophobicContact CB-CB 4.2Å; I131-I143 PolarHBondContact N-O 3.05Å; I131-I143 PolarHBondContact O-N 2.84Å; I131-L145 HydrophobicContact CD1-CD2 3.82Å; I131-L145 HydrophobicContact CD1-CG 4.48Å; I131-L145 HydrophobicContact CG1-CD1 3.92Å; I131-L145 HydrophobicContact CG1-CD2 3.81Å; I131-L145 HydrophobicContact CG1-CG 3.91Å
132G98Very high96.2Very high0 Ų016.6 Ų16.60%09%0.088CC..EExtended strand (participates in β ladder)trans-106132.1173.200000110.3G122 I123 F140 K141G122-G132 WeakPolarHBondContact CA-O 3.42Å; I123-G132 VanDerWaalsContact CG1-O 3.29Å; I123-G132 WeakPolarHBondContact CG1-O 3.07Å; I123-G132 PolarHBondContact N-O 2.78Å; I123-G132 PolarHBondContact O-N 2.83Å; G132-F140 VanDerWaalsContact CA-CZ 3.42Å; G132-K141 CarbonylContact C-O 3.54Å
133L97.9Very high96.1Very high0 Ų016.4 Ų16.40%09%0.086CC..EExtended strand (participates in β ladder)trans-127130.3-177.2-56.5-179.5000110.1F78 L80 V108 I121 I131 L135 K141 I143F78-L133 HydrophobicContact CE1-CD2 4.07Å; F78-L133 HydrophobicContact CZ-CD2 4.07Å; L80-L133 HydrophobicContact CD2-CD1 4.33Å; L80-L133 HydrophobicContact CD2-CD2 4.06Å; V108-L133 HydrophobicContact CG2-CD1 3.96Å; I121-L133 CarbonylContact O-C 3.52Å; I121-L133 WeakPolarHBondContact O-CA 3.37Å; I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.23Å; L133-L135 HydrophobicContact CB-CD1 4.39Å; L133-L135 HydrophobicContact CB-CD2 4.02Å; L133-L135 HydrophobicContact CB-CG 3.97Å; L133-L135 HydrophobicContact CD1-CD1 4.3Å; L133-K141 HydrophobicContact CB-CB 4.17Å; L133-K141 HydrophobicContact CD1-CD 4.47Å; L133-K141 PolarHBondContact N-O 2.89Å; L133-K141 PolarHBondContact O-N 2.99Å; L133-I143 HydrophobicContact CD1-CD1 3.78Å; L133-I143 HydrophobicContact CD1-CG1 4.42Å
134R95.9Very high96Very high5 Ų518.5 Ų18.52%0.01910%0.1CC..EExtended strand (participates in β ladder)trans-108.3100.3169.1-169.6-86.8-63.5163.48107.7S116 T118 G119 I121S116-R134 PolarHBondContact OG-NH1 3.42Å; T118-R134 PolarHBondContact O-NH2 2.97Å; T118-R134 PolarHBondContact OG1-NH1 3.31Å; T118-R134 PolarHBondContact OG1-NH2 3.42Å; T118-R134 VanDerWaalsContact OG1-NH2 3.12Å; G119-R134 PolarHBondContact O-NH1 2.81Å; I121-R134 HydrophobicContact CB-CB 4.25Å; I121-R134 VanDerWaalsContact CG1-NH2 3.3Å; I121-R134 PolarHBondContact N-O 3.25Å; I121-R134 VanDerWaalsContact N-O 3.16Å; I121-R134 PolarHBondContact O-N 2.91Å
135L95.7Very high95.8Very high2 Ų219 Ų191%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-112.2-32.3-175.7-50.7-176.3000112.2L80 Y84 V108 S116 I120 L133 K141L80-L135 HydrophobicContact CD2-CD2 3.66Å; Y84-L135 HydrophobicContact CD1-CD1 3.92Å; Y84-L135 HydrophobicContact CD1-CD2 4.35Å; Y84-L135 HydrophobicContact CE1-CB 4.19Å; Y84-L135 HydrophobicContact CE1-CD1 4.39Å; Y84-L135 HydrophobicContact CE1-CD2 4.47Å; V108-L135 HydrophobicContact CG2-CD1 3.9Å; S116-L135 PolarHBondContact N-O 3.07Å; S116-L135 VanDerWaalsContact N-O 3.09Å; I120-L135 HydrophobicContact CG2-CD2 3.74Å; L133-L135 HydrophobicContact CB-CD1 4.39Å; L133-L135 HydrophobicContact CB-CD2 4.02Å; L133-L135 HydrophobicContact CB-CG 3.97Å; L133-L135 HydrophobicContact CD1-CD1 4.3Å; L135-K141 HydrophobicContact CD1-CD 3.83Å
136Y95.1Very high95.3Very high8 Ų823.2 Ų23.23%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-133150.4-173.8-56.2-78.4000110.2Q109 D110 R114 G138 L139Q109-Y136 WeakPolarHBondContact CG-OH 3.38Å; D110-Y136 HydrophobicContact CB-CD2 4.23Å; D110-Y136 HydrophobicContact CB-CE2 3.61Å; D110-Y136 PolarHBondContact N-OH 3.29Å; D110-Y136 WeakPolarHBondContact OD2-CD2 3.38Å; D110-Y136 VanDerWaalsContact OD2-CE2 3.22Å; D110-Y136 WeakPolarHBondContact OD2-CE2 3.33Å; R114-Y136 CarbonylContact O-C 3.46Å; R114-Y136 WeakPolarHBondContact O-CA 3.37Å; R114-Y136 WeakPolarHBondContact O-CB 3.26Å; Y136-G138 PolarHBondContact O-N 2.94Å; Y136-L139 HydrophobicContact CD2-CD1 4.44Å; Y136-L139 PolarHBondContact O-N 3.04Å
137D92.3Very high94.4Very high30 Ų3028.4 Ų28.416%0.1614%0.139CC..THydrogen-bonded Turntrans-63.7135.3175.2-66.3-15.6000110.8R114 S116 L139R114-D137 WeakPolarHBondContact CD-OD2 3.47Å; R114-D137 IonicContact NE-OD2 2.77Å; R114-D137 PolarHBondContact O-N 3.23Å; S116-D137 WeakPolarHBondContact CA-OD1 3.07Å; S116-D137 VanDerWaalsContact CB-OD1 3.22Å; S116-D137 WeakPolarHBondContact CB-OD1 3.41Å; S116-D137 PolarHBondContact OG-OD1 2.9Å; D137-L139 PolarHBondContact O-N 3.43Å
138G93.4Very high93.8Very high11 Ų1131.1 Ų31.111%0.11316%0.156CC..THydrogen-bonded Turntrans72.48.4179.500000115.5Y136 L159Y136-G138 PolarHBondContact O-N 2.94Å; G138-L159 CarbonylContact C-O 3.55Å; G138-L159 VanDerWaalsContact CA-O 3.28Å; G138-L159 WeakPolarHBondContact CA-O 3.2Å; G138-L159 PolarHBondContact O-N 2.89Å
139L95Very high93.3Very high42 Ų4233.7 Ų33.722%0.2217%0.168CC..EExtended strand (participates in β ladder)trans-129.5130.8178-59.7177.5000111.5Y136 D137 N156Y136-L139 HydrophobicContact CD2-CD1 4.44Å; Y136-L139 PolarHBondContact O-N 3.04Å; D137-L139 PolarHBondContact O-N 3.43Å; L139-N156 HydrophobicContact CD2-CB 4.26Å
140F96.9Very high93.1Very high2 Ų239 Ų391%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-109.5115.1165.3-173.3-107000109.1I123 G132 V142 I157 V167 F169 I178 V195 F202I123-F140 HydrophobicContact CD1-CE2 4.41Å; I123-F140 HydrophobicContact CD1-CZ 4.37Å; G132-F140 VanDerWaalsContact CA-CZ 3.42Å; F140-V142 HydrophobicContact CD1-CG2 3.62Å; F140-V142 HydrophobicContact CE1-CG2 3.71Å; F140-I157 PolarHBondContact N-O 3.04Å; F140-I157 PolarHBondContact O-N 3.46Å; F140-V167 HydrophobicContact CE2-CG1 4.21Å; F140-F169 HydrophobicContact CE1-CZ 4.47Å; F140-F169 HydrophobicContact CZ-CZ 4.14Å; F140-I178 HydrophobicContact CE1-CG2 4.31Å; F140-I178 HydrophobicContact CE2-CD1 4.46Å; F140-I178 HydrophobicContact CE2-CG2 4.42Å; F140-I178 HydrophobicContact CZ-CD1 4.47Å; F140-I178 HydrophobicContact CZ-CG2 3.79Å; F140-V195 HydrophobicContact CE1-CG2 4.36Å; F140-F202 HydrophobicContact CB-CE2 3.89Å; F140-F202 HydrophobicContact CB-CZ 3.44Å; F140-F202 VanDerWaalsContact CB-CZ 3.44Å; F140-F202 AromaticContact CD1-CE1 3.94Å; F140-F202 HydrophobicContact CD1-CE1 3.94Å; F140-F202 AromaticContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CE1-CE1 4.44Å; F140-F202 HydrophobicContact CE1-CZ 4.43Å; F140-F202 HydrophobicContact CG-CE1 4.4Å; F140-F202 AromaticContact CG-CZ 3.63Å; F140-F202 HydrophobicContact CG-CZ 3.63Å
141K96.9Very high92.9Very high7 Ų744.6 Ų44.63%0.0322%0.219CC..EExtended strand (participates in β ladder)trans-94.6129.6-175.3-178.2179.7-59.8-77.50109.8V108 D110 G132 L133 L135 A154 F155 N156V108-K141 HydrophobicContact CB-CD 3.88Å; V108-K141 HydrophobicContact CG2-CD 4.34Å; V108-K141 WeakPolarHBondContact O-CD 3.32Å; V108-K141 WeakPolarHBondContact O-CE 3.35Å; V108-K141 PolarHBondContact O-NZ 2.88Å; D110-K141 IonicContact OD1-NZ 3.56Å; D110-K141 PolarHBondContact OD1-NZ 2.85Å; D110-K141 VanDerWaalsContact OD2-CE 3.27Å; D110-K141 WeakPolarHBondContact OD2-CE 3.36Å; D110-K141 IonicContact OD2-NZ 2.75Å; D110-K141 PolarHBondContact OD2-NZ 3.01Å; G132-K141 CarbonylContact C-O 3.54Å; L133-K141 HydrophobicContact CB-CB 4.17Å; L133-K141 HydrophobicContact CD1-CD 4.47Å; L133-K141 PolarHBondContact N-O 2.89Å; L133-K141 PolarHBondContact O-N 2.99Å; L135-K141 HydrophobicContact CD1-CD 3.83Å; K141-A154 HydrophobicContact CD-CB 3.82Å; K141-A154 HydrophobicContact CG-CB 3.72Å; K141-F155 CarbonylContact C-O 3.58Å; K141-F155 WeakPolarHBondContact CA-O 3.18Å; K141-N156 WeakPolarHBondContact CE-OD1 3.47Å; K141-N156 WeakPolarHBondContact CG-OD1 3.39Å; K141-N156 PolarHBondContact NZ-OD1 3.15Å
142V98Very high92.7Very high0 Ų045.3 Ų45.30%022%0.222CC..EExtended strand (participates in β ladder)trans-116.9129.1-174.3179.70000109.9M130 I131 F140 A154 F155 I157 V195 L197M130-V142 HydrophobicContact CB-CG1 4.04Å; M130-V142 HydrophobicContact CE-CG1 4.05Å; M130-V142 HydrophobicContact CG-CG1 4.47Å; M130-V142 HydrophobicContact SD-CG1 3.81Å; I131-V142 WeakPolarHBondContact O-CA 3.37Å; F140-V142 HydrophobicContact CD1-CG2 3.62Å; F140-V142 HydrophobicContact CE1-CG2 3.71Å; V142-A154 CarbonylContact O-C 3.52Å; V142-A154 VanDerWaalsContact O-CA 3.25Å; V142-A154 WeakPolarHBondContact O-CA 3.31Å; V142-F155 HydrophobicContact CB-CD1 4.46Å; V142-F155 HydrophobicContact CB-CE1 3.96Å; V142-F155 HydrophobicContact CB-CE2 4.01Å; V142-F155 HydrophobicContact CB-CZ 3.71Å; V142-F155 HydrophobicContact CG1-CE1 3.92Å; V142-F155 HydrophobicContact CG1-CZ 3.76Å; V142-F155 HydrophobicContact CG2-CE2 4.38Å; V142-F155 HydrophobicContact CG2-CZ 4.38Å; V142-F155 PolarHBondContact N-O 2.79Å; V142-F155 PolarHBondContact O-N 3.42Å; V142-I157 HydrophobicContact CG2-CD1 3.75Å; V142-I157 HydrophobicContact CG2-CG1 4.18Å; V142-V195 HydrophobicContact CG2-CG1 4.2Å; V142-L197 HydrophobicContact CG1-CD2 4.04Å
143I96.9Very high92.4Very high1 Ų151.7 Ų51.71%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-110.3105.5168.7-54.6169.7000107.3V108 M130 I131 L133 L145 L152 A154V108-I143 HydrophobicContact CG1-CD1 4.07Å; M130-I143 CarbonylContact C-O 3.52Å; M130-I143 WeakPolarHBondContact CA-O 3.37Å; I131-I143 HydrophobicContact CB-CB 4.2Å; I131-I143 PolarHBondContact N-O 3.05Å; I131-I143 PolarHBondContact O-N 2.84Å; L133-I143 HydrophobicContact CD1-CD1 3.78Å; L133-I143 HydrophobicContact CD1-CG1 4.42Å; I143-L145 PolarHBondContact O-N 2.74Å; I143-L152 HydrophobicContact CG2-CB 4.17Å; I143-L152 HydrophobicContact CG2-CD2 4.09Å; I143-A154 HydrophobicContact CG1-CB 3.82Å
144P95.7Very high92.2Very high49 Ų4953.6 Ų53.632%0.31827%0.266SS..EExtended strand (participates in β ladder)trans-59.9132171-2335.2000110.5D146 K153 F155 L197P144-D146 PolarHBondContact O-N 3.02Å; P144-K153 WeakPolarHBondContact CD-O 3.27Å; P144-F155 HydrophobicContact CG-CD1 4.38Å; P144-F155 HydrophobicContact CG-CE1 3.74Å; P144-L197 HydrophobicContact CB-CD2 4.35Å; P144-L197 HydrophobicContact CG-CD2 3.98Å
145L92.8Very high92.2Very high37 Ų3755 Ų5519%0.19427%0.272CS..  trans-88.1112.7176.3-73.9174.6000109.1F67 I88 I124 C128 R129 I131 I143F67-L145 HydrophobicContact CD2-CD1 4.14Å; F67-L145 HydrophobicContact CE2-CD1 3.91Å; F67-L145 HydrophobicContact CE2-CD2 4.17Å; F67-L145 HydrophobicContact CZ-CD2 4.36Å; I88-L145 HydrophobicContact CD1-CD2 3.96Å; I124-L145 HydrophobicContact CG2-CD1 4.13Å; C128-L145 HydrophobicContact CB-CD1 4.38Å; C128-L145 WeakPolarHBondContact O-CB 3.33Å; C128-L145 WeakPolarHBondContact O-CD1 3.36Å; R129-L145 PolarHBondContact O-N 2.8Å; R129-L145 VanDerWaalsContact O-N 3.14Å; I131-L145 HydrophobicContact CD1-CD2 3.82Å; I131-L145 HydrophobicContact CD1-CG 4.48Å; I131-L145 HydrophobicContact CG1-CD1 3.92Å; I131-L145 HydrophobicContact CG1-CD2 3.81Å; I131-L145 HydrophobicContact CG1-CG 3.91Å; I143-L145 PolarHBondContact O-N 2.74Å
146D86.3Confident92.2Very high90 Ų9057.6 Ų57.648%0.48129%0.286SS..  trans-131134.4175.5-176.7-3000108.6P144 D148 N149P144-D146 PolarHBondContact O-N 3.02Å; D146-D148 VanDerWaalsContact C-N 3.29Å; D146-D148 PolarHBondContact O-N 3.28Å; D146-D148 PolarHBondContact OD1-N 2.79Å; D146-N149 HydrophobicContact CB-CB 4.4Å; D146-N149 WeakPolarHBondContact CB-ND2 3.16Å; D146-N149 PolarHBondContact O-N 3.39Å; D146-N149 PolarHBondContact OD2-ND2 2.8Å
147R76.7Confident92.3Very high159 Ų15957.4 Ų57.460%0.629%0.286SS*.THydrogen-bonded Turntrans-66.4-31.2-170.4-167.3179.9-173.3-161.31.9112.7E72E72-R147 IonicContact OE1-CZ 2.72Å; E72-R147 IonicContact OE1-NE 2.81Å; E72-R147 PolarHBondContact OE1-NE 2.66Å; E72-R147 IonicContact OE1-NH2 3.52Å; E72-R147 PolarHBondContact OE1-NH2 3.14Å
148D81.1Confident92.4Very high141 Ų14165.6 Ų65.675%0.75431%0.314SS*.THydrogen-bonded Turntrans-88-10.3-174.4-66.9-32000113.2D146 K150D146-D148 VanDerWaalsContact C-N 3.29Å; D146-D148 PolarHBondContact O-N 3.28Å; D146-D148 PolarHBondContact OD1-N 2.79Å; D148-K150 PolarHBondContact O-N 2.61Å
149N86.3Confident92.5Very high77 Ų7765.4 Ų65.441%0.41231%0.311SS..  trans-85.5111.8-174.8-74.9-26.8000112.2A104 D146 E151A104-N149 WeakPolarHBondContact CB-O 3.41Å; D146-N149 HydrophobicContact CB-CB 4.4Å; D146-N149 WeakPolarHBondContact CB-ND2 3.16Å; D146-N149 PolarHBondContact O-N 3.39Å; D146-N149 PolarHBondContact OD2-ND2 2.8Å; N149-E151 VanDerWaalsContact C-N 3.31Å
150K90.2Very high92.4Very high158 Ų15870.4 Ų70.469%0.68733%0.333SS*.SBendtrans-81.8-10.5172.1-62.6-177.4-179.41770113.8A104 H105 D148A104-K150 VanDerWaalsContact CA-O 3.26Å; A104-K150 WeakPolarHBondContact CA-O 3.37Å; H105-K150 PolarHBondContact N-O 2.88Å; H105-K150 VanDerWaalsContact N-O 3.16Å; H105-K150 PolarHBondContact ND1-O 2.89Å; D148-K150 PolarHBondContact O-N 2.61Å
151E93Very high92.3Very high117 Ų11771.1 Ų71.155%0.54734%0.336SS..BIsolated β-bridgetrans-114.2124.9178.8-173.9-175.9-168.500108.8H105 N149 K153H105-E151 WeakPolarHBondContact O-CA 3.29Å; N149-E151 VanDerWaalsContact C-N 3.31Å; E151-K153 HydrophobicContact CG-CG 4.22Å; E151-K153 PolarHBondContact O-N 3.46Å; E151-K153 WeakPolarHBondContact OE2-CE 3.24Å; E151-K153 IonicContact OE2-NZ 3.55Å
152L93.4Very high92.1Very high15 Ų1576.1 Ų76.18%0.07936%0.363CS..  trans-80.687178.7-64.2179.6000110.2F78 A86 I88 A104 H105 I143 A154F78-L152 HydrophobicContact CE2-CD1 4.39Å; A86-L152 HydrophobicContact CB-CD1 3.76Å; I88-L152 HydrophobicContact CD1-CD2 3.68Å; I88-L152 HydrophobicContact CG1-CD1 4.39Å; I88-L152 HydrophobicContact CG1-CD2 4.2Å; A104-L152 HydrophobicContact CB-CD2 3.6Å; A104-L152 HydrophobicContact CB-CG 3.92Å; H105-L152 PolarHBondContact O-N 2.81Å; I143-L152 HydrophobicContact CG2-CB 4.17Å; I143-L152 HydrophobicContact CG2-CD2 4.09Å; L152-A154 PolarHBondContact O-N 2.94Å
153K91.4Very high92Very high135 Ų13579.4 Ų79.459%0.58738%0.378SS*.  trans-79.6120177.8-66.9-176.9-179.1176.30110.6P144 E151P144-K153 WeakPolarHBondContact CD-O 3.27Å; E151-K153 HydrophobicContact CG-CG 4.22Å; E151-K153 PolarHBondContact O-N 3.46Å; E151-K153 WeakPolarHBondContact OE2-CE 3.24Å; E151-K153 IonicContact OE2-NZ 3.55Å
154A94Very high91.9Very high40 Ų4079.4 Ų79.433%0.33138%0.378SS..  trans-107.4154.3178.200000112V108 K141 V142 I143 L152V108-A154 HydrophobicContact CB-CB 4.43Å; V108-A154 HydrophobicContact CG1-CB 4.05Å; K141-A154 HydrophobicContact CD-CB 3.82Å; K141-A154 HydrophobicContact CG-CB 3.72Å; V142-A154 CarbonylContact O-C 3.52Å; V142-A154 VanDerWaalsContact O-CA 3.25Å; V142-A154 WeakPolarHBondContact O-CA 3.31Å; I143-A154 HydrophobicContact CG1-CB 3.82Å; L152-A154 PolarHBondContact O-N 2.94Å
155F95.3Very high92Very high33 Ų3378.2 Ų78.215%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-136.3158.3165.765.3-89.7000110.5K141 V142 P144 I157 L197 K200K141-F155 CarbonylContact C-O 3.58Å; K141-F155 WeakPolarHBondContact CA-O 3.18Å; V142-F155 HydrophobicContact CB-CD1 4.46Å; V142-F155 HydrophobicContact CB-CE1 3.96Å; V142-F155 HydrophobicContact CB-CE2 4.01Å; V142-F155 HydrophobicContact CB-CZ 3.71Å; V142-F155 HydrophobicContact CG1-CE1 3.92Å; V142-F155 HydrophobicContact CG1-CZ 3.76Å; V142-F155 HydrophobicContact CG2-CE2 4.38Å; V142-F155 HydrophobicContact CG2-CZ 4.38Å; V142-F155 PolarHBondContact N-O 2.79Å; V142-F155 PolarHBondContact O-N 3.42Å; P144-F155 HydrophobicContact CG-CD1 4.38Å; P144-F155 HydrophobicContact CG-CE1 3.74Å; F155-I157 HydrophobicContact CD2-CG1 4.12Å; F155-I157 HydrophobicContact CE2-CD1 3.9Å; F155-I157 HydrophobicContact CE2-CG1 3.68Å; F155-L197 HydrophobicContact CE1-CD2 4.25Å; F155-L197 HydrophobicContact CZ-CD2 4.06Å; F155-K200 HydrophobicContact CD1-CD 4.43Å; F155-K200 HydrophobicContact CD2-CB 3.88Å; F155-K200 HydrophobicContact CD2-CD 3.85Å; F155-K200 HydrophobicContact CD2-CG 3.93Å; F155-K200 HydrophobicContact CE1-CG 4.47Å; F155-K200 HydrophobicContact CE2-CB 3.57Å; F155-K200 HydrophobicContact CE2-CD 4.05Å; F155-K200 HydrophobicContact CE2-CG 3.61Å; F155-K200 HydrophobicContact CG-CD 4.05Å; F155-K200 HydrophobicContact CG-CG 4.5Å; F155-K200 HydrophobicContact CZ-CB 4.31Å; F155-K200 HydrophobicContact CZ-CD 4.42Å; F155-K200 HydrophobicContact CZ-CG 3.91Å
156N95.9Very high92.2Very high58 Ų5877.4 Ų77.431%0.3137%0.365SS..EExtended strand (participates in β ladder)trans-99.9138.1-178.9-63.8-21.3000110.9D110 L139 K141D110-N156 VanDerWaalsContact CG-ND2 3.26Å; D110-N156 PolarHBondContact OD1-ND2 3.14Å; D110-N156 PolarHBondContact OD2-ND2 3.04Å; L139-N156 HydrophobicContact CD2-CB 4.26Å; K141-N156 WeakPolarHBondContact CE-OD1 3.47Å; K141-N156 WeakPolarHBondContact CG-OD1 3.39Å; K141-N156 PolarHBondContact NZ-OD1 3.15Å
157I96.7Very high92.7Very high4 Ų473.3 Ų73.32%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-109.1135.1165.7-55-177.7000107.3F140 V142 F155 L159 V195 F202F140-I157 PolarHBondContact N-O 3.04Å; F140-I157 PolarHBondContact O-N 3.46Å; V142-I157 HydrophobicContact CG2-CD1 3.75Å; V142-I157 HydrophobicContact CG2-CG1 4.18Å; F155-I157 HydrophobicContact CD2-CG1 4.12Å; F155-I157 HydrophobicContact CE2-CD1 3.9Å; F155-I157 HydrophobicContact CE2-CG1 3.68Å; I157-L159 PolarHBondContact O-N 3.36Å; I157-V195 HydrophobicContact CD1-CG1 3.55Å; I157-F202 HydrophobicContact CB-CD2 4.39Å; I157-F202 HydrophobicContact CB-CE2 4.06Å; I157-F202 HydrophobicContact CB-CZ 4.38Å; I157-F202 HydrophobicContact CG2-CD1 4.34Å; I157-F202 HydrophobicContact CG2-CD2 3.35Å; I157-F202 HydrophobicContact CG2-CE1 4.48Å; I157-F202 HydrophobicContact CG2-CE2 3.5Å; I157-F202 VanDerWaalsContact CG2-CE2 3.5Å; I157-F202 HydrophobicContact CG2-CG 3.81Å; I157-F202 HydrophobicContact CG2-CZ 4.11Å
158R95Very high93.7Very high202 Ų20268.2 Ų68.276%0.76233%0.325SS*.EExtended strand (participates in β ladder)trans-70126.3176.2-176.5176.8-178.5174.8-0.8109.7F202R158-F202 VanDerWaalsContact O-CD2 3.31Å; R158-F202 WeakPolarHBondContact O-CD2 3.15Å
159L94.5Very high94.6Very high6 Ų661.8 Ų61.83%0.03129%0.291CS..  trans-105.5124.6171.9-169.460.5000108.1G138 I157 E161 V164 F180 Y193 F202G138-L159 CarbonylContact C-O 3.55Å; G138-L159 VanDerWaalsContact CA-O 3.28Å; G138-L159 WeakPolarHBondContact CA-O 3.2Å; G138-L159 PolarHBondContact O-N 2.89Å; I157-L159 PolarHBondContact O-N 3.36Å; L159-E161 VanDerWaalsContact C-N 3.32Å; L159-V164 HydrophobicContact CD2-CG2 3.66Å; L159-F180 HydrophobicContact CD1-CE1 4.45Å; L159-F180 HydrophobicContact CD1-CZ 4.05Å; L159-Y193 HydrophobicContact CD1-CD2 3.84Å; L159-Y193 HydrophobicContact CD1-CE2 3.59Å; L159-F202 HydrophobicContact CB-CE2 4.1Å; L159-F202 HydrophobicContact CD1-CD2 4.16Å; L159-F202 HydrophobicContact CD1-CE2 3.56Å; L159-F202 HydrophobicContact CD1-CZ 4.06Å; L159-F202 HydrophobicContact CG-CE2 4.4Å
160E94.1Very high95.1Very high148 Ų14858.4 Ų58.469%0.69227%0.272SS*.SBendtrans-72.7-31.5-176.6-65-171.7158.500111.6L162E160-L162 PolarHBondContact O-N 3.39Å
161E95Very high95.4Very high16 Ų1654.6 Ų54.68%0.07525%0.254CS..  trans-78.4113.1177.3-6276.5-167.400110.4L159 V164 F180 Y182 K191 Y193L159-E161 VanDerWaalsContact C-N 3.32Å; E161-V164 HydrophobicContact CB-CG2 4.2Å; E161-V164 WeakPolarHBondContact O-CG2 3.4Å; E161-F180 HydrophobicContact CB-CE2 4.02Å; E161-F180 HydrophobicContact CG-CE2 3.94Å; E161-F180 HydrophobicContact CG-CZ 4.41Å; E161-Y182 HydrophobicContact CB-CD1 4.36Å; E161-Y182 HydrophobicContact CB-CD2 3.93Å; E161-Y182 HydrophobicContact CB-CG 3.83Å; E161-Y182 HydrophobicContact CG-CD1 3.81Å; E161-Y182 HydrophobicContact CG-CD2 3.67Å; E161-Y182 HydrophobicContact CG-CE1 3.91Å; E161-Y182 HydrophobicContact CG-CE2 3.81Å; E161-Y182 HydrophobicContact CG-CG 3.67Å; E161-K191 WeakPolarHBondContact OE1-CD 3.45Å; E161-K191 IonicContact OE1-NZ 3.37Å; E161-K191 PolarHBondContact OE1-NZ 2.9Å; E161-Y193 PolarHBondContact OE1-OH 3.28Å; E161-Y193 WeakPolarHBondContact OE2-CE2 3.31Å; E161-Y193 PolarHBondContact OE2-OH 3.11Å; E161-Y193 VanDerWaalsContact OE2-OH 3.1Å
162L92.6Very high95.4Very high113 Ų11351.3 Ų51.359%0.59225%0.252SS*.SBendtrans-81.1-42-174-61.1179.6000113E160 V164E160-L162 PolarHBondContact O-N 3.39Å; L162-V164 PolarHBondContact O-N 2.8Å
163H94.3Very high95.4Very high68 Ų6851.8 Ų51.832%0.31526%0.256SS..EExtended strand (participates in β ladder)trans-100.672-174.4-165-99.2000111.1Y182 Q183H163-Y182 CarbonylContact O-C 3.52Å; H163-Y182 VanDerWaalsContact O-CA 3.28Å; H163-Y182 WeakPolarHBondContact O-CA 3.43Å; H163-Q183 HydrophobicContact CB-CB 4.48Å; H163-Q183 WeakPolarHBondContact ND1-CB 3.41Å; H163-Q183 PolarHBondContact O-N 3.23Å
164V96.6Very high95.5Very high2 Ų254.1 Ų54.11%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-85125.9178.9179.10000109.9T118 L159 E161 L162 V167 F180T118-V164 PolarHBondContact OG1-O 2.69Å; L159-V164 HydrophobicContact CD2-CG2 3.66Å; E161-V164 HydrophobicContact CB-CG2 4.2Å; E161-V164 WeakPolarHBondContact O-CG2 3.4Å; L162-V164 PolarHBondContact O-N 2.8Å; V164-V167 HydrophobicContact CG1-CG2 3.37Å; V164-F180 HydrophobicContact CG1-CB 4.12Å; V164-F180 HydrophobicContact CG1-CD2 4.14Å; V164-F180 HydrophobicContact CG1-CG 4.48Å; V164-F180 HydrophobicContact CG2-CD2 4.18Å; V164-F180 HydrophobicContact CG2-CE2 4.46Å
165I96.1Very high95.6Very high23 Ų2353.5 Ų53.512%0.11826%0.264CS..EExtended strand (participates in β ladder)trans-88.4-55.4-174.9-64.6162.4000110V181 Q183 R188I165-V181 HydrophobicContact CB-CB 4.47Å; I165-V181 HydrophobicContact CB-CG1 4.34Å; I165-V181 HydrophobicContact CD1-CG1 3.98Å; I165-V181 PolarHBondContact N-O 2.85Å; I165-Q183 HydrophobicContact CD1-CB 4.24Å; I165-R188 HydrophobicContact CD1-CG 3.93Å
166D97.4Very high95.7Very high21 Ų2152.5 Ų52.511%0.11226%0.261CS..EExtended strand (participates in β ladder)trans-144.1153.5177.7-169.321.6000111.5F180 V181 V219D166-F180 CarbonylContact O-C 3.58Å; D166-F180 WeakPolarHBondContact O-CA 3.46Å; D166-F180 WeakPolarHBondContact O-CB 3.25Å; D166-V181 PolarHBondContact O-N 3.38Å; D166-V219 HydrophobicContact CB-CG2 4.22Å; D166-V219 PolarHBondContact OD2-N 2.93Å
167V97.7Very high95.8Very high3 Ų349.8 Ų49.82%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-141.3135.5-175.6-169.10000109.5I123 F140 V164 I178 C179 F180I123-V167 HydrophobicContact CD1-CB 4.2Å; I123-V167 HydrophobicContact CD1-CG1 3.6Å; I123-V167 VanDerWaalsContact CG2-O 3.3Å; I123-V167 WeakPolarHBondContact CG2-O 3.47Å; F140-V167 HydrophobicContact CE2-CG1 4.21Å; V164-V167 HydrophobicContact CG1-CG2 3.37Å; V167-I178 HydrophobicContact CG1-CB 4.07Å; V167-I178 HydrophobicContact CG1-CD1 4.39Å; V167-I178 HydrophobicContact CG1-CG2 4.29Å; V167-C179 CarbonylContact C-O 3.59Å; V167-C179 WeakPolarHBondContact CA-O 3.36Å; V167-F180 HydrophobicContact CB-CB 4.12Å; V167-F180 HydrophobicContact CG1-CB 4.08Å; V167-F180 HydrophobicContact CG2-CB 3.78Å
168K98.1Very high95.8Very high52 Ų5249.7 Ų49.723%0.22625%0.246CC..EExtended strand (participates in β ladder)trans-138.1152.6168.9-63.6-64.8172.5-176.30111.9I123 I178 C179 V219 A221I123-K168 HydrophobicContact CG2-CD 3.96Å; K168-I178 CarbonylContact O-C 3.42Å; K168-I178 WeakPolarHBondContact O-CA 3.28Å; K168-C179 PolarHBondContact N-O 3.29Å; K168-C179 PolarHBondContact O-N 2.55Å; K168-V219 HydrophobicContact CB-CG1 4.11Å; K168-V219 WeakPolarHBondContact CE-O 3.4Å; K168-V219 HydrophobicContact CG-CB 4.14Å; K168-V219 HydrophobicContact CG-CG1 4.09Å; K168-V219 WeakPolarHBondContact CG-O 3.3Å; K168-A221 HydrophobicContact CB-CB 4.1Å
169F98.4Very high96Very high7 Ų740 Ų403%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-79.3135.5165.6-78.3-73.5000110.1I123 I124 D125 P126 M130 F140 P176 T177 I178 V195 A221I123-F169 HydrophobicContact CB-CD2 4.03Å; I123-F169 HydrophobicContact CB-CE2 4.37Å; I123-F169 HydrophobicContact CD1-CD2 3.55Å; I123-F169 HydrophobicContact CD1-CE2 3.72Å; I123-F169 HydrophobicContact CD1-CG 4.18Å; I123-F169 HydrophobicContact CD1-CZ 4.45Å; I123-F169 HydrophobicContact CG1-CD2 3.71Å; I123-F169 HydrophobicContact CG1-CE2 3.67Å; I124-F169 VanDerWaalsContact C-CD2 3.49Å; D125-F169 HydrophobicContact CB-CD1 4.24Å; D125-F169 HydrophobicContact CB-CD2 4.06Å; D125-F169 HydrophobicContact CB-CE1 4.39Å; D125-F169 HydrophobicContact CB-CE2 4.2Å; D125-F169 HydrophobicContact CB-CG 4.09Å; D125-F169 HydrophobicContact CB-CZ 4.38Å; D125-F169 VanDerWaalsContact N-CD2 3.32Å; P126-F169 HydrophobicContact CG-CB 4.48Å; M130-F169 HydrophobicContact CG-CE1 4.25Å; M130-F169 HydrophobicContact CG-CE2 4.34Å; M130-F169 HydrophobicContact CG-CZ 3.7Å; M130-F169 HydrophobicContact SD-CE1 3.86Å; M130-F169 HydrophobicContact SD-CZ 3.57Å; M130-F169 VanDerWaalsContact SD-CZ 3.57Å; F140-F169 HydrophobicContact CE1-CZ 4.47Å; F140-F169 HydrophobicContact CZ-CZ 4.14Å; F169-P176 HydrophobicContact CD1-CB 4.31Å; F169-P176 HydrophobicContact CE1-CB 3.88Å; F169-T177 CarbonylContact C-O 3.6Å; F169-T177 WeakPolarHBondContact CA-O 3.47Å; F169-I178 HydrophobicContact CD1-CG2 3.61Å; F169-I178 HydrophobicContact CE1-CG2 3.42Å; F169-I178 VanDerWaalsContact CE1-CG2 3.42Å; F169-I178 HydrophobicContact CG-CG2 4.26Å; F169-I178 HydrophobicContact CZ-CG2 3.93Å; F169-V195 HydrophobicContact CE1-CG2 4.27Å; F169-A221 WeakPolarHBondContact O-CB 3.3Å
170L98Very high96.1Very high5 Ų539.8 Ų39.83%0.02621%0.208CC..PPolyproline II helixtrans-78.5147.1175.2-64.2-175.9000111.5T177 C179 T192 W207 G228 A229L170-T177 HydrophobicContact CD1-CG2 4.03Å; L170-T177 PolarHBondContact N-O 3.07Å; L170-C179 HydrophobicContact CD1-CB 4.19Å; L170-C179 HydrophobicContact CD2-CB 3.57Å; L170-C179 HydrophobicContact CG-CB 3.84Å; L170-T192 HydrophobicContact CD1-CG2 4.05Å; L170-W207 HydrophobicContact CD1-CZ2 4.05Å; L170-G228 WeakPolarHBondContact CD2-O 3.41Å; L170-A229 HydrophobicContact CD2-CB 4.11Å
171Y96.1Very high96.3Very high78 Ų7832.7 Ų32.731%0.30618%0.175SC..SBendtrans-81.2157.8171.8-65.7-90.5000111.5P126 C173 A221 P223P126-Y171 HydrophobicContact CB-CD1 3.53Å; P126-Y171 HydrophobicContact CB-CE1 3.61Å; P126-Y171 HydrophobicContact CB-CG 4.39Å; P126-Y171 HydrophobicContact CG-CD1 3.6Å; P126-Y171 HydrophobicContact CG-CD2 4.5Å; P126-Y171 HydrophobicContact CG-CE1 3.66Å; P126-Y171 HydrophobicContact CG-CG 4.03Å; Y171-C173 PolarHBondContact O-N 2.88Å; Y171-A221 HydrophobicContact CD2-CB 3.81Å; Y171-A221 HydrophobicContact CE2-CB 3.68Å; Y171-P223 HydrophobicContact CD1-CB 4.22Å; Y171-P223 HydrophobicContact CD2-CB 4.17Å; Y171-P223 HydrophobicContact CE1-CB 4.46Å; Y171-P223 HydrophobicContact CE2-CB 4.39Å; Y171-P223 HydrophobicContact CG-CB 4.09Å
172G92.4Very high96.4Very high49 Ų4932.9 Ų32.951%0.50518%0.175SC..SBendtrans72.68.5173.600000115.3
173C94.3Very high96.5Very high25 Ų2531.3 Ų31.317%0.16917%0.165CC..  trans-93129-177.8-570000113R129 Y171 A175 T177R129-C173 PolarHBondContact NH1-O 3.04Å; R129-C173 PolarHBondContact NH2-O 3.48Å; Y171-C173 PolarHBondContact O-N 2.88Å; C173-A175 VanDerWaalsContact C-N 3.28Å; C173-A175 CarbonylContact C-O 3.59Å; C173-A175 WeakPolarHBondContact CB-O 3.29Å; C173-A175 PolarHBondContact O-N 3.17Å; C173-T177 WeakPolarHBondContact CB-OG1 3.42Å
174Q92.7Very high96.5Very high183 Ų18330.2 Ų30.286%0.85516%0.162SC*.SBendtrans-61.5-34178.6-66-62.6-43.700113.4R129R129-Q174 PolarHBondContact NH1-O 3Å
175A95.7Very high96.5Very high28 Ų2836.3 Ų36.323%0.23120%0.201CC..SBendtrans-107.8150.3167.400000109.6C173 T177 E194C173-A175 VanDerWaalsContact C-N 3.28Å; C173-A175 CarbonylContact C-O 3.59Å; C173-A175 WeakPolarHBondContact CB-O 3.29Å; C173-A175 PolarHBondContact O-N 3.17Å; A175-T177 PolarHBondContact O-N 3.32Å; A175-T177 PolarHBondContact O-OG1 2.84Å; A175-E194 HydrophobicContact CB-CB 4.47Å; A175-E194 HydrophobicContact CB-CG 4.29Å
176P97.4Very high96.3Very high11 Ų1141.8 Ų41.87%0.07123%0.226CC..  trans-54.4116.5170.8-17.126.4000109.2R129 M130 F169 V195R129-P176 HydrophobicContact CB-CG 4.27Å; R129-P176 VanDerWaalsContact NH2-CA 3.31Å; M130-P176 HydrophobicContact CE-CB 3.79Å; M130-P176 HydrophobicContact CE-CG 3.57Å; M130-P176 HydrophobicContact CG-CB 4.34Å; M130-P176 HydrophobicContact SD-CB 3.84Å; M130-P176 HydrophobicContact SD-CG 4.26Å; F169-P176 HydrophobicContact CD1-CB 4.31Å; F169-P176 HydrophobicContact CE1-CB 3.88Å; P176-V195 HydrophobicContact CB-CB 4.28Å; P176-V195 PolarHBondContact O-N 2.74Å
177T98.3Very high96.2Very high2 Ų241.9 Ų41.91%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-123.5121.9-172.8-58.40000108.8F169 L170 C173 A175 Y193 E194 P206F169-T177 CarbonylContact C-O 3.6Å; F169-T177 WeakPolarHBondContact CA-O 3.47Å; L170-T177 HydrophobicContact CD1-CG2 4.03Å; L170-T177 PolarHBondContact N-O 3.07Å; C173-T177 WeakPolarHBondContact CB-OG1 3.42Å; A175-T177 PolarHBondContact O-N 3.32Å; A175-T177 PolarHBondContact O-OG1 2.84Å; T177-Y193 CarbonylContact C-O 3.5Å; T177-Y193 VanDerWaalsContact CA-O 3.31Å; T177-Y193 WeakPolarHBondContact CA-O 3.24Å; T177-E194 HydrophobicContact CG2-CG 4.47Å; T177-P206 HydrophobicContact CG2-CG 4.19Å
178I98.1Very high96.2Very high1 Ų143.9 Ų43.91%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-93.3144.9175.260.1168.9000110.4I123 F140 V167 K168 F169 F180 T192 Y193 V195 F202I123-I178 HydrophobicContact CD1-CG2 4.24Å; F140-I178 HydrophobicContact CE1-CG2 4.31Å; F140-I178 HydrophobicContact CE2-CD1 4.46Å; F140-I178 HydrophobicContact CE2-CG2 4.42Å; F140-I178 HydrophobicContact CZ-CD1 4.47Å; F140-I178 HydrophobicContact CZ-CG2 3.79Å; V167-I178 HydrophobicContact CG1-CB 4.07Å; V167-I178 HydrophobicContact CG1-CD1 4.39Å; V167-I178 HydrophobicContact CG1-CG2 4.29Å; K168-I178 CarbonylContact O-C 3.42Å; K168-I178 WeakPolarHBondContact O-CA 3.28Å; F169-I178 HydrophobicContact CD1-CG2 3.61Å; F169-I178 HydrophobicContact CE1-CG2 3.42Å; F169-I178 VanDerWaalsContact CE1-CG2 3.42Å; F169-I178 HydrophobicContact CG-CG2 4.26Å; F169-I178 HydrophobicContact CZ-CG2 3.93Å; I178-F180 HydrophobicContact CD1-CD1 3.95Å; I178-F180 HydrophobicContact CD1-CE1 4.1Å; I178-F180 HydrophobicContact CG1-CD1 4.18Å; I178-F180 HydrophobicContact CG1-CE1 4.4Å; I178-T192 CarbonylContact O-C 3.57Å; I178-T192 WeakPolarHBondContact O-CA 3.03Å; I178-T192 WeakPolarHBondContact O-CB 3.35Å; I178-Y193 HydrophobicContact CD1-CD2 4.5Å; I178-Y193 PolarHBondContact N-O 3.01Å; I178-Y193 PolarHBondContact O-N 2.71Å; I178-V195 HydrophobicContact CG2-CG2 4.25Å; I178-F202 HydrophobicContact CD1-CD1 4.45Å; I178-F202 HydrophobicContact CD1-CE1 3.5Å; I178-F202 VanDerWaalsContact CD1-CE1 3.5Å; I178-F202 HydrophobicContact CD1-CZ 3.73Å; I178-F202 HydrophobicContact CG1-CE1 4.2Å
179C98.2Very high96.1Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-120.6132.3166.5179.30000107.6V167 K168 L170 V190 K191 T192 W207 V219V167-C179 CarbonylContact C-O 3.59Å; V167-C179 WeakPolarHBondContact CA-O 3.36Å; K168-C179 PolarHBondContact N-O 3.29Å; K168-C179 PolarHBondContact O-N 2.55Å; L170-C179 HydrophobicContact CD1-CB 4.19Å; L170-C179 HydrophobicContact CD2-CB 3.57Å; L170-C179 HydrophobicContact CG-CB 3.84Å; C179-V190 VanDerWaalsContact SG-CG1 3.58Å; C179-K191 WeakPolarHBondContact CA-O 3.4Å; C179-T192 HydrophobicContact CB-CG2 4.04Å; C179-W207 VanDerWaalsContact SG-CH2 3.57Å; C179-V219 HydrophobicContact CB-CG1 4.36Å
180F97.7Very high96.1Very high0 Ų041.4 Ų41.40%023%0.229CC..EExtended strand (participates in β ladder)trans-146.4150.4-177.259.4-83.1000112.1L159 E161 V164 D166 V167 I178 Y182 V190 K191 Y193L159-F180 HydrophobicContact CD1-CE1 4.45Å; L159-F180 HydrophobicContact CD1-CZ 4.05Å; E161-F180 HydrophobicContact CB-CE2 4.02Å; E161-F180 HydrophobicContact CG-CE2 3.94Å; E161-F180 HydrophobicContact CG-CZ 4.41Å; V164-F180 HydrophobicContact CG1-CB 4.12Å; V164-F180 HydrophobicContact CG1-CD2 4.14Å; V164-F180 HydrophobicContact CG1-CG 4.48Å; V164-F180 HydrophobicContact CG2-CD2 4.18Å; V164-F180 HydrophobicContact CG2-CE2 4.46Å; D166-F180 CarbonylContact O-C 3.58Å; D166-F180 WeakPolarHBondContact O-CA 3.46Å; D166-F180 WeakPolarHBondContact O-CB 3.25Å; V167-F180 HydrophobicContact CB-CB 4.12Å; V167-F180 HydrophobicContact CG1-CB 4.08Å; V167-F180 HydrophobicContact CG2-CB 3.78Å; I178-F180 HydrophobicContact CD1-CD1 3.95Å; I178-F180 HydrophobicContact CD1-CE1 4.1Å; I178-F180 HydrophobicContact CG1-CD1 4.18Å; I178-F180 HydrophobicContact CG1-CE1 4.4Å; F180-Y182 HydrophobicContact CD2-CD1 4.12Å; F180-Y182 AromaticContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CG 4.31Å; F180-V190 WeakPolarHBondContact O-CA 3.43Å; F180-K191 WeakPolarHBondContact CD1-O 3.48Å; F180-K191 HydrophobicContact CE1-CB 4.18Å; F180-K191 HydrophobicContact CE2-CB 4.2Å; F180-K191 HydrophobicContact CZ-CB 3.82Å; F180-K191 HydrophobicContact CZ-CD 4.31Å; F180-K191 HydrophobicContact CZ-CG 4.3Å; F180-K191 PolarHBondContact N-O 3.17Å; F180-K191 PolarHBondContact O-N 3.46Å; F180-Y193 AromaticContact CE1-CD2 3.49Å; F180-Y193 HydrophobicContact CE1-CD2 3.49Å; F180-Y193 VanDerWaalsContact CE1-CD2 3.49Å; F180-Y193 AromaticContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CG 4.24Å; F180-Y193 AromaticContact CZ-CD2 3.72Å; F180-Y193 HydrophobicContact CZ-CD2 3.72Å; F180-Y193 AromaticContact CZ-CE2 3.5Å; F180-Y193 HydrophobicContact CZ-CE2 3.5Å
181V97.5Very high96.1Very high0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-96.2131.7169.6177.20000107.9I165 D166 R188 H189 V190 A216 V219 I231I165-V181 HydrophobicContact CB-CB 4.47Å; I165-V181 HydrophobicContact CB-CG1 4.34Å; I165-V181 HydrophobicContact CD1-CG1 3.98Å; I165-V181 PolarHBondContact N-O 2.85Å; D166-V181 PolarHBondContact O-N 3.38Å; V181-R188 HydrophobicContact CG1-CB 4.33Å; V181-H189 CarbonylContact C-O 3.6Å; V181-H189 VanDerWaalsContact CA-O 3.3Å; V181-H189 WeakPolarHBondContact CA-O 3.26Å; V181-V190 HydrophobicContact CG2-CG2 3.72Å; V181-A216 HydrophobicContact CG1-CB 4.35Å; V181-V219 HydrophobicContact CB-CG2 4.25Å; V181-V219 HydrophobicContact CG2-CG2 3.47Å; V181-V219 VanDerWaalsContact CG2-CG2 3.47Å; V181-I231 HydrophobicContact CG2-CD1 4.13Å; V181-I231 HydrophobicContact CG2-CG2 3.93Å
182Y96.5Very high96.2Very high19 Ų1939.5 Ų39.58%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-133.7161.5173.574.7-84.3000110.7E161 H163 F180 D184 R188 H189 K191E161-Y182 HydrophobicContact CB-CD1 4.36Å; E161-Y182 HydrophobicContact CB-CD2 3.93Å; E161-Y182 HydrophobicContact CB-CG 3.83Å; E161-Y182 HydrophobicContact CG-CD1 3.81Å; E161-Y182 HydrophobicContact CG-CD2 3.67Å; E161-Y182 HydrophobicContact CG-CE1 3.91Å; E161-Y182 HydrophobicContact CG-CE2 3.81Å; E161-Y182 HydrophobicContact CG-CG 3.67Å; H163-Y182 CarbonylContact O-C 3.52Å; H163-Y182 VanDerWaalsContact O-CA 3.28Å; H163-Y182 WeakPolarHBondContact O-CA 3.43Å; F180-Y182 HydrophobicContact CD2-CD1 4.12Å; F180-Y182 AromaticContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CG 4.31Å; Y182-D184 HydrophobicContact CE2-CB 4.15Å; Y182-R188 CarbonylContact O-C 3.48Å; Y182-R188 VanDerWaalsContact O-CA 3.31Å; Y182-R188 WeakPolarHBondContact O-CA 3.47Å; Y182-H189 HydrophobicContact CD1-CB 4.09Å; Y182-H189 HydrophobicContact CE1-CB 3.47Å; Y182-H189 VanDerWaalsContact CE1-CB 3.47Å; Y182-H189 HydrophobicContact CE2-CB 4.14Å; Y182-H189 VanDerWaalsContact CZ-CB 3.49Å; Y182-H189 PolarHBondContact N-O 2.68Å; Y182-H189 PolarHBondContact O-N 2.58Å; Y182-K191 HydrophobicContact CD1-CB 4.44Å; Y182-K191 HydrophobicContact CE1-CB 4Å; Y182-K191 HydrophobicContact CE1-CD 4.3Å
183Q95.9Very high96.4Very high80 Ų8038.1 Ų38.137%0.37420%0.202SC..EExtended strand (participates in β ladder)trans-115.4137.8176.5-170.9174.9-9.300111H163 I165 G187 R188H163-Q183 HydrophobicContact CB-CB 4.48Å; H163-Q183 WeakPolarHBondContact ND1-CB 3.41Å; H163-Q183 PolarHBondContact O-N 3.23Å; I165-Q183 HydrophobicContact CD1-CB 4.24Å; Q183-G187 WeakPolarHBondContact CA-O 3.31Å; Q183-R188 HydrophobicContact CB-CG 4.22Å; Q183-R188 HydrophobicContact CG-CG 4.25Å
184D94.5Very high96.6Very high46 Ų4640 Ų4025%0.24621%0.209CC..EExtended strand (participates in β ladder)trans-130.6-177.5169.372.118.8000109.6Y182 Q186 G187 H189Y182-D184 HydrophobicContact CE2-CB 4.15Å; D184-Q186 PolarHBondContact O-N 2.82Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.46Å; D184-Q186 VanDerWaalsContact OD1-CB 3.29Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.37Å; D184-Q186 PolarHBondContact OD1-N 2.93Å; D184-Q186 PolarHBondContact OD1-OE1 2.76Å; D184-Q186 VanDerWaalsContact OD1-OE1 3.05Å; D184-Q186 PolarHBondContact OD2-OE1 2.83Å; D184-G187 PolarHBondContact N-O 3.44Å; D184-G187 PolarHBondContact O-N 2.87Å; D184-G187 PolarHBondContact OD1-N 3.06Å; D184-G187 VanDerWaalsContact OD1-N 3.1Å; D184-H189 IonicContact OD1-CD2 3.59Å; D184-H189 IonicContact OD1-NE2 2.71Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 VanDerWaalsContact OD1-NE2 3.08Å; D184-H189 IonicContact OD2-CD2 2.72Å; D184-H189 IonicContact OD2-NE2 3.75Å
185P95.1Very high96.9Very high130 Ų13031.5 Ų31.584%0.84417%0.169SC*.THydrogen-bonded Turntrans-62.1-16.6178.2-25.336.2000115.3
186Q93.1Very high96.9Very high137 Ų13731 Ų3164%0.6416%0.163SC*.THydrogen-bonded Turntrans-90.5-23.2179.9-66.378.513.700112.7D184D184-Q186 PolarHBondContact O-N 2.82Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.46Å; D184-Q186 VanDerWaalsContact OD1-CB 3.29Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.37Å; D184-Q186 PolarHBondContact OD1-N 2.93Å; D184-Q186 PolarHBondContact OD1-OE1 2.76Å; D184-Q186 VanDerWaalsContact OD1-OE1 3.05Å; D184-Q186 PolarHBondContact OD2-OE1 2.83Å
187G95.1Very high96.7Very high24 Ų2433.6 Ų33.625%0.24718%0.177CC..EExtended strand (participates in β ladder)trans151.6-154.8174.500000113.1Q183 D184 H189Q183-G187 WeakPolarHBondContact CA-O 3.31Å; D184-G187 PolarHBondContact N-O 3.44Å; D184-G187 PolarHBondContact O-N 2.87Å; D184-G187 PolarHBondContact OD1-N 3.06Å; D184-G187 VanDerWaalsContact OD1-N 3.1Å; G187-H189 PolarHBondContact N-NE2 2.84Å; G187-H189 PolarHBondContact O-CD2 3.02Å; G187-H189 PolarHBondContact O-NE2 3.21Å
188R96.8Very high96.5Very high45 Ų4543.3 Ų43.317%0.1721%0.213CC..EExtended strand (participates in β ladder)trans-95.1142.7168.9-68.7-170.8-175.5175.813.7110I165 V181 Y182 Q183 N211 V212 A214 E215 A216I165-R188 HydrophobicContact CD1-CG 3.93Å; V181-R188 HydrophobicContact CG1-CB 4.33Å; Y182-R188 CarbonylContact O-C 3.48Å; Y182-R188 VanDerWaalsContact O-CA 3.31Å; Y182-R188 WeakPolarHBondContact O-CA 3.47Å; Q183-R188 HydrophobicContact CB-CG 4.22Å; Q183-R188 HydrophobicContact CG-CG 4.25Å; R188-N211 CarbonylContact O-C 3.59Å; R188-N211 WeakPolarHBondContact O-CA 3.49Å; R188-V212 VanDerWaalsContact C-CG2 3.5Å; R188-V212 HydrophobicContact CB-CG2 3.8Å; R188-V212 VanDerWaalsContact O-CG2 3.3Å; R188-V212 WeakPolarHBondContact O-CG2 3.48Å; R188-V212 PolarHBondContact O-N 2.85Å; R188-A214 WeakPolarHBondContact CD-O 3.33Å; R188-A214 PolarHBondContact NE-O 3.35Å; R188-E215 PolarHBondContact NH1-O 2.8Å; R188-A216 VanDerWaalsContact CD-O 3.32Å; R188-A216 WeakPolarHBondContact CD-O 3.14Å; R188-A216 PolarHBondContact NH1-O 3.48Å
189H97.4Very high96.3Very high4 Ų448 Ų482%0.01924%0.235CC..EExtended strand (participates in β ladder)trans-139.6152.9-174.2-56.9-97.7000109.6V181 Y182 D184 G187 E210 N211V181-H189 CarbonylContact C-O 3.6Å; V181-H189 VanDerWaalsContact CA-O 3.3Å; V181-H189 WeakPolarHBondContact CA-O 3.26Å; Y182-H189 HydrophobicContact CD1-CB 4.09Å; Y182-H189 HydrophobicContact CE1-CB 3.47Å; Y182-H189 VanDerWaalsContact CE1-CB 3.47Å; Y182-H189 HydrophobicContact CE2-CB 4.14Å; Y182-H189 VanDerWaalsContact CZ-CB 3.49Å; Y182-H189 PolarHBondContact N-O 2.68Å; Y182-H189 PolarHBondContact O-N 2.58Å; D184-H189 IonicContact OD1-CD2 3.59Å; D184-H189 IonicContact OD1-NE2 2.71Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 VanDerWaalsContact OD1-NE2 3.08Å; D184-H189 IonicContact OD2-CD2 2.72Å; D184-H189 IonicContact OD2-NE2 3.75Å; G187-H189 PolarHBondContact N-NE2 2.84Å; G187-H189 PolarHBondContact O-CD2 3.02Å; G187-H189 PolarHBondContact O-NE2 3.21Å; H189-E210 IonicContact CE1-OE2 2.73Å; H189-E210 PolarHBondContact CE1-OE2 2.88Å; H189-E210 IonicContact CG-OE2 3.47Å; H189-E210 WeakPolarHBondContact ND1-CA 3.23Å; H189-E210 IonicContact ND1-OE2 3.53Å; H189-E210 PolarHBondContact ND1-OE2 3.25Å; H189-N211 PolarHBondContact CE1-N 2.86Å; H189-N211 PolarHBondContact CE1-OD1 3.42Å; H189-N211 VanDerWaalsContact CE1-OD1 3.27Å; H189-N211 PolarHBondContact ND1-N 2.76Å
190V97.5Very high96.2Very high3 Ų353.6 Ų53.62%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-113.2133173.9177.60000109.2C179 F180 V181 W207 K208 Q209 V212 I231C179-V190 VanDerWaalsContact SG-CG1 3.58Å; F180-V190 WeakPolarHBondContact O-CA 3.43Å; V181-V190 HydrophobicContact CG2-CG2 3.72Å; V190-W207 HydrophobicContact CG1-CH2 4.1Å; V190-W207 HydrophobicContact CG1-CZ3 3.65Å; V190-K208 CarbonylContact O-C 3.58Å; V190-K208 WeakPolarHBondContact O-CA 3.41Å; V190-K208 WeakPolarHBondContact O-CB 3.39Å; V190-Q209 HydrophobicContact CB-CB 4.26Å; V190-Q209 PolarHBondContact N-O 3.49Å; V190-Q209 PolarHBondContact O-N 2.83Å; V190-V212 HydrophobicContact CB-CG1 4.44Å; V190-V212 HydrophobicContact CG2-CG1 3.73Å; V190-V212 HydrophobicContact CG2-CG2 4.16Å; V190-I231 HydrophobicContact CG1-CD1 4.23Å; V190-I231 HydrophobicContact CG2-CD1 3.82Å; V190-I231 HydrophobicContact CG2-CG1 3.93Å; V190-I231 HydrophobicContact CG2-CG2 4.35Å
191K97.4Very high96.1Very high39 Ų3958.2 Ų58.217%0.1728%0.281CS..EExtended strand (participates in β ladder)trans-137.7153.7179.1-163.3170-174.9-179.20110.6E161 C179 F180 Y182 Y193 K208E161-K191 WeakPolarHBondContact OE1-CD 3.45Å; E161-K191 IonicContact OE1-NZ 3.37Å; E161-K191 PolarHBondContact OE1-NZ 2.9Å; C179-K191 WeakPolarHBondContact CA-O 3.4Å; F180-K191 WeakPolarHBondContact CD1-O 3.48Å; F180-K191 HydrophobicContact CE1-CB 4.18Å; F180-K191 HydrophobicContact CE2-CB 4.2Å; F180-K191 HydrophobicContact CZ-CB 3.82Å; F180-K191 HydrophobicContact CZ-CD 4.31Å; F180-K191 HydrophobicContact CZ-CG 4.3Å; F180-K191 PolarHBondContact N-O 3.17Å; F180-K191 PolarHBondContact O-N 3.46Å; Y182-K191 HydrophobicContact CD1-CB 4.44Å; Y182-K191 HydrophobicContact CE1-CB 4Å; Y182-K191 HydrophobicContact CE1-CD 4.3Å; K191-Y193 HydrophobicContact CD-CE1 4.22Å; K191-Y193 WeakPolarHBondContact CE-OH 3.36Å; K191-Y193 HydrophobicContact CG-CE1 4.47Å; K191-Y193 PolarHBondContact NZ-OH 2.8Å; K191-K208 HydrophobicContact CB-CB 4.5Å; K191-K208 HydrophobicContact CG-CB 4.2Å
192T98.1Very high96.1Very high3 Ų359.9 Ų59.92%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-118.7145172.764.40000111.4L170 I178 C179 G205 P206 W207L170-T192 HydrophobicContact CD1-CG2 4.05Å; I178-T192 CarbonylContact O-C 3.57Å; I178-T192 WeakPolarHBondContact O-CA 3.03Å; I178-T192 WeakPolarHBondContact O-CB 3.35Å; C179-T192 HydrophobicContact CB-CG2 4.04Å; T192-G205 VanDerWaalsContact O-CA 3.23Å; T192-G205 WeakPolarHBondContact O-CA 2.95Å; T192-G205 PolarHBondContact O-N 3.07Å; T192-G205 VanDerWaalsContact O-N 3.12Å; T192-G205 VanDerWaalsContact OG1-C 3.32Å; T192-G205 WeakPolarHBondContact OG1-CA 3.32Å; T192-P206 WeakPolarHBondContact OG1-CD 3.41Å; T192-W207 WeakPolarHBondContact CB-O 3.23Å; T192-W207 HydrophobicContact CG2-CD2 3.79Å; T192-W207 HydrophobicContact CG2-CE3 4.05Å; T192-W207 HydrophobicContact CG2-CG 4.39Å; T192-W207 HydrophobicContact CG2-CH2 4.05Å; T192-W207 HydrophobicContact CG2-CZ2 3.79Å; T192-W207 HydrophobicContact CG2-CZ3 4.18Å; T192-W207 PolarHBondContact N-O 3.24Å; T192-W207 PolarHBondContact OG1-N 3.33Å; T192-W207 VanDerWaalsContact OG1-N 3.08Å; T192-W207 PolarHBondContact OG1-O 2.78Å
193Y98Very high96.2Very high20 Ų2062 Ų628%0.07830%0.301CS..EExtended strand (participates in β ladder)trans-134.1142171.1-70.7-43.9000111.1L159 E161 T177 I178 F180 K191 F202L159-Y193 HydrophobicContact CD1-CD2 3.84Å; L159-Y193 HydrophobicContact CD1-CE2 3.59Å; E161-Y193 PolarHBondContact OE1-OH 3.28Å; E161-Y193 WeakPolarHBondContact OE2-CE2 3.31Å; E161-Y193 PolarHBondContact OE2-OH 3.11Å; E161-Y193 VanDerWaalsContact OE2-OH 3.1Å; T177-Y193 CarbonylContact C-O 3.5Å; T177-Y193 VanDerWaalsContact CA-O 3.31Å; T177-Y193 WeakPolarHBondContact CA-O 3.24Å; I178-Y193 HydrophobicContact CD1-CD2 4.5Å; I178-Y193 PolarHBondContact N-O 3.01Å; I178-Y193 PolarHBondContact O-N 2.71Å; F180-Y193 AromaticContact CE1-CD2 3.49Å; F180-Y193 HydrophobicContact CE1-CD2 3.49Å; F180-Y193 VanDerWaalsContact CE1-CD2 3.49Å; F180-Y193 AromaticContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CG 4.24Å; F180-Y193 AromaticContact CZ-CD2 3.72Å; F180-Y193 HydrophobicContact CZ-CD2 3.72Å; F180-Y193 AromaticContact CZ-CE2 3.5Å; F180-Y193 HydrophobicContact CZ-CE2 3.5Å; K191-Y193 HydrophobicContact CD-CE1 4.22Å; K191-Y193 WeakPolarHBondContact CE-OH 3.36Å; K191-Y193 HydrophobicContact CG-CE1 4.47Å; K191-Y193 PolarHBondContact NZ-OH 2.8Å; Y193-F202 HydrophobicContact CD1-CB 4.37Å; Y193-F202 HydrophobicContact CD2-CB 4.26Å; Y193-F202 HydrophobicContact CD2-CD1 4.14Å; Y193-F202 HydrophobicContact CD2-CD2 4.1Å; Y193-F202 HydrophobicContact CD2-CE1 4.46Å; Y193-F202 HydrophobicContact CD2-CE2 4.46Å; Y193-F202 AromaticContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CG-CB 4.03Å; Y193-F202 HydrophobicContact CG-CD1 4.12Å; Y193-F202 HydrophobicContact CG-CG 4.05Å
194E97.8Very high96.1Very high66 Ų6667 Ų6731%0.30832%0.322SS..EExtended strand (participates in β ladder)trans-88.8131.6168.1-77.8-179.4-175.100109.4A175 T177 F202 N203A175-E194 HydrophobicContact CB-CB 4.47Å; A175-E194 HydrophobicContact CB-CG 4.29Å; T177-E194 HydrophobicContact CG2-CG 4.47Å; E194-F202 WeakPolarHBondContact O-CA 3.35Å; E194-N203 HydrophobicContact CB-CB 3.95Å; E194-N203 PolarHBondContact N-O 3.11Å; E194-N203 PolarHBondContact O-N 2.71Å
195V97.8Very high96Very high3 Ų365.3 Ų65.32%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-93.8110.3-179-1690000109.7M130 F140 V142 I157 F169 P176 I178 L197 F202M130-V195 HydrophobicContact CE-CB 4.07Å; M130-V195 HydrophobicContact CE-CG1 3.77Å; M130-V195 HydrophobicContact SD-CB 4.07Å; M130-V195 HydrophobicContact SD-CG1 3.84Å; M130-V195 HydrophobicContact SD-CG2 4.39Å; F140-V195 HydrophobicContact CE1-CG2 4.36Å; V142-V195 HydrophobicContact CG2-CG1 4.2Å; I157-V195 HydrophobicContact CD1-CG1 3.55Å; F169-V195 HydrophobicContact CE1-CG2 4.27Å; P176-V195 HydrophobicContact CB-CB 4.28Å; P176-V195 PolarHBondContact O-N 2.74Å; I178-V195 HydrophobicContact CG2-CG2 4.25Å; V195-L197 PolarHBondContact O-N 3.26Å; V195-F202 HydrophobicContact CG2-CD1 4.15Å; V195-F202 HydrophobicContact CG2-CE1 3.83Å
196S96.5Very high96Very high17 Ų1762.8 Ų62.812%0.11930%0.298CS..EExtended strand (participates in β ladder)trans-84.4103.9174.4-177.80000110.4R198 E199 K200 E201S196-R198 PolarHBondContact O-N 2.93Å; S196-E199 WeakPolarHBondContact OG-CB 3.36Å; S196-E199 WeakPolarHBondContact OG-CG 3Å; S196-E199 PolarHBondContact OG-N 3.08Å; S196-K200 VanDerWaalsContact O-CA 3.23Å; S196-K200 WeakPolarHBondContact O-CA 3.46Å; S196-K200 PolarHBondContact O-N 2.99Å; S196-E201 PolarHBondContact N-O 3.3Å
197L92.7Very high96.1Very high67 Ų6757.6 Ų57.635%0.35127%0.273SS..THydrogen-bonded Turntrans-61.7-29.3173-81.9174.9000113.3M130 V142 P144 F155 V195M130-L197 HydrophobicContact CE-CD1 3.69Å; M130-L197 HydrophobicContact CE-CD2 3.38Å; M130-L197 HydrophobicContact CE-CG 3.28Å; V142-L197 HydrophobicContact CG1-CD2 4.04Å; P144-L197 HydrophobicContact CB-CD2 4.35Å; P144-L197 HydrophobicContact CG-CD2 3.98Å; F155-L197 HydrophobicContact CE1-CD2 4.25Å; F155-L197 HydrophobicContact CZ-CD2 4.06Å; V195-L197 PolarHBondContact O-N 3.26Å
198R93.9Very high96.1Very high205 Ų20562 Ų6277%0.77429%0.285SS*.THydrogen-bonded Turntrans-76.5-50.4-177-171-17971.1-148.9-4.2111.6S196S196-R198 PolarHBondContact O-N 2.93Å
199E95.5Very high96Very high99 Ų9962.3 Ų62.346%0.46329%0.289SS..THydrogen-bonded Turntrans-86.8-13.7-178.2-52.2-53.4151.300112.4S196 E201S196-E199 WeakPolarHBondContact OG-CB 3.36Å; S196-E199 WeakPolarHBondContact OG-CG 3Å; S196-E199 PolarHBondContact OG-N 3.08Å; E199-E201 VanDerWaalsContact C-N 3.28Å; E199-E201 HydrophobicContact CB-CG 3.83Å; E199-E201 PolarHBondContact O-N 2.67Å
200K95.4Very high95.9Very high119 Ų11965.1 Ų65.152%0.51730%0.301SS..THydrogen-bonded Turntrans56.940.6-176.5-57-176.7176.7-178.40112.9F155 S196F155-K200 HydrophobicContact CD1-CD 4.43Å; F155-K200 HydrophobicContact CD2-CB 3.88Å; F155-K200 HydrophobicContact CD2-CD 3.85Å; F155-K200 HydrophobicContact CD2-CG 3.93Å; F155-K200 HydrophobicContact CE1-CG 4.47Å; F155-K200 HydrophobicContact CE2-CB 3.57Å; F155-K200 HydrophobicContact CE2-CD 4.05Å; F155-K200 HydrophobicContact CE2-CG 3.61Å; F155-K200 HydrophobicContact CG-CD 4.05Å; F155-K200 HydrophobicContact CG-CG 4.5Å; F155-K200 HydrophobicContact CZ-CB 4.31Å; F155-K200 HydrophobicContact CZ-CD 4.42Å; F155-K200 HydrophobicContact CZ-CG 3.91Å; S196-K200 VanDerWaalsContact O-CA 3.23Å; S196-K200 WeakPolarHBondContact O-CA 3.46Å; S196-K200 PolarHBondContact O-N 2.99Å
201E96.7Very high95.6Very high97 Ų9770.2 Ų70.245%0.45333%0.329SS..EExtended strand (participates in β ladder)trans-137.5165.7179.873.5-170.1167.600111.2S196 E199S196-E201 PolarHBondContact N-O 3.3Å; E199-E201 VanDerWaalsContact C-N 3.28Å; E199-E201 HydrophobicContact CB-CG 3.83Å; E199-E201 PolarHBondContact O-N 2.67Å
202F97.5Very high95.5Very high34 Ų3469 Ų6915%0.14933%0.325CS..EExtended strand (participates in β ladder)trans-85.7129.5169.1-71.5-58.2000110.5F140 I157 R158 L159 I178 Y193 E194 V195F140-F202 HydrophobicContact CB-CE2 3.89Å; F140-F202 HydrophobicContact CB-CZ 3.44Å; F140-F202 VanDerWaalsContact CB-CZ 3.44Å; F140-F202 AromaticContact CD1-CE1 3.94Å; F140-F202 HydrophobicContact CD1-CE1 3.94Å; F140-F202 AromaticContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CE1-CE1 4.44Å; F140-F202 HydrophobicContact CE1-CZ 4.43Å; F140-F202 HydrophobicContact CG-CE1 4.4Å; F140-F202 AromaticContact CG-CZ 3.63Å; F140-F202 HydrophobicContact CG-CZ 3.63Å; I157-F202 HydrophobicContact CB-CD2 4.39Å; I157-F202 HydrophobicContact CB-CE2 4.06Å; I157-F202 HydrophobicContact CB-CZ 4.38Å; I157-F202 HydrophobicContact CG2-CD1 4.34Å; I157-F202 HydrophobicContact CG2-CD2 3.35Å; I157-F202 HydrophobicContact CG2-CE1 4.48Å; I157-F202 HydrophobicContact CG2-CE2 3.5Å; I157-F202 VanDerWaalsContact CG2-CE2 3.5Å; I157-F202 HydrophobicContact CG2-CG 3.81Å; I157-F202 HydrophobicContact CG2-CZ 4.11Å; R158-F202 VanDerWaalsContact O-CD2 3.31Å; R158-F202 WeakPolarHBondContact O-CD2 3.15Å; L159-F202 HydrophobicContact CB-CE2 4.1Å; L159-F202 HydrophobicContact CD1-CD2 4.16Å; L159-F202 HydrophobicContact CD1-CE2 3.56Å; L159-F202 HydrophobicContact CD1-CZ 4.06Å; L159-F202 HydrophobicContact CG-CE2 4.4Å; I178-F202 HydrophobicContact CD1-CD1 4.45Å; I178-F202 HydrophobicContact CD1-CE1 3.5Å; I178-F202 VanDerWaalsContact CD1-CE1 3.5Å; I178-F202 HydrophobicContact CD1-CZ 3.73Å; I178-F202 HydrophobicContact CG1-CE1 4.2Å; Y193-F202 HydrophobicContact CD1-CB 4.37Å; Y193-F202 HydrophobicContact CD2-CB 4.26Å; Y193-F202 HydrophobicContact CD2-CD1 4.14Å; Y193-F202 HydrophobicContact CD2-CD2 4.1Å; Y193-F202 HydrophobicContact CD2-CE1 4.46Å; Y193-F202 HydrophobicContact CD2-CE2 4.46Å; Y193-F202 AromaticContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CG-CB 4.03Å; Y193-F202 HydrophobicContact CG-CD1 4.12Å; Y193-F202 HydrophobicContact CG-CG 4.05Å; E194-F202 WeakPolarHBondContact O-CA 3.35Å; V195-F202 HydrophobicContact CG2-CD1 4.15Å; V195-F202 HydrophobicContact CG2-CE1 3.83Å
203N96.7Very high95.3Very high64 Ų6470.6 Ų70.634%0.34233%0.332SS..EExtended strand (participates in β ladder)trans-92156162.6-66.8-35.5000109.4E194 G205E194-N203 HydrophobicContact CB-CB 3.95Å; E194-N203 PolarHBondContact N-O 3.11Å; E194-N203 PolarHBondContact O-N 2.71Å; N203-G205 PolarHBondContact O-N 3.26Å
204K94.8Very high95Very high186 Ų18673.2 Ų73.281%0.80936%0.358SS*.EExtended strand (participates in β ladder)trans-57124.2174.3-174.6-176.2176.3-173.10109.5
205G93.4Very high94.7Very high9 Ų974.4 Ų74.49%0.09336%0.363CS..EExtended strand (participates in β ladder)trans-76.3173.3176.900000113.6T192 N203 W207T192-G205 VanDerWaalsContact O-CA 3.23Å; T192-G205 WeakPolarHBondContact O-CA 2.95Å; T192-G205 PolarHBondContact O-N 3.07Å; T192-G205 VanDerWaalsContact O-N 3.12Å; T192-G205 VanDerWaalsContact OG1-C 3.32Å; T192-G205 WeakPolarHBondContact OG1-CA 3.32Å; N203-G205 PolarHBondContact O-N 3.26Å; G205-W207 VanDerWaalsContact C-N 3.34Å; G205-W207 PolarHBondContact O-N 2.93Å
206P94Very high94.6Very high78 Ų7874.3 Ų74.351%0.50636%0.363SS..EExtended strand (participates in β ladder)trans-64.1-32.2-172.224.5-36.1000114.3T177 T192T177-P206 HydrophobicContact CG2-CG 4.19Å; T192-P206 WeakPolarHBondContact OG1-CD 3.41Å
207W95.8Very high94.5Very high27 Ų2775.2 Ų75.210%0.10237%0.369CS..EExtended strand (participates in β ladder)trans-156.4166.3-175.954.1-96.6000113.4L170 C179 V190 T192 G205 A229 H240 N241 G242L170-W207 HydrophobicContact CD1-CZ2 4.05Å; C179-W207 VanDerWaalsContact SG-CH2 3.57Å; V190-W207 HydrophobicContact CG1-CH2 4.1Å; V190-W207 HydrophobicContact CG1-CZ3 3.65Å; T192-W207 WeakPolarHBondContact CB-O 3.23Å; T192-W207 HydrophobicContact CG2-CD2 3.79Å; T192-W207 HydrophobicContact CG2-CE3 4.05Å; T192-W207 HydrophobicContact CG2-CG 4.39Å; T192-W207 HydrophobicContact CG2-CH2 4.05Å; T192-W207 HydrophobicContact CG2-CZ2 3.79Å; T192-W207 HydrophobicContact CG2-CZ3 4.18Å; T192-W207 PolarHBondContact N-O 3.24Å; T192-W207 PolarHBondContact OG1-N 3.33Å; T192-W207 VanDerWaalsContact OG1-N 3.08Å; T192-W207 PolarHBondContact OG1-O 2.78Å; G205-W207 VanDerWaalsContact C-N 3.34Å; G205-W207 PolarHBondContact O-N 2.93Å; W207-A229 HydrophobicContact CH2-CB 4.31Å; W207-H240 AromaticContact CE3-CE1 3.94Å; W207-H240 AromaticContact CE3-CG 3.99Å; W207-H240 AromaticContact CE3-ND1 3.83Å; W207-H240 HydrophobicContact CH2-CB 4.24Å; W207-H240 WeakPolarHBondContact CZ2-O 3.37Å; W207-H240 HydrophobicContact CZ3-CB 4.11Å; W207-H240 AromaticContact CZ3-CG 3.84Å; W207-N241 PolarHBondContact NE1-O 2.99Å; W207-G242 VanDerWaalsContact CD1-CA 3.44Å; W207-G242 VanDerWaalsContact CG-CA 3.48Å
208K95.2Very high94.6Very high116 Ų11673.3 Ų73.350%0.50436%0.359SS..EExtended strand (participates in β ladder)trans-150.8154174.364.5173.2-170.2155.70109.7V190 K191 E210V190-K208 CarbonylContact O-C 3.58Å; V190-K208 WeakPolarHBondContact O-CA 3.41Å; V190-K208 WeakPolarHBondContact O-CB 3.39Å; K191-K208 HydrophobicContact CB-CB 4.5Å; K191-K208 HydrophobicContact CG-CB 4.2Å; K208-E210 WeakPolarHBondContact CD-OE1 3.32Å; K208-E210 VanDerWaalsContact CE-OE1 3.3Å; K208-E210 WeakPolarHBondContact CE-OE1 3.48Å; K208-E210 IonicContact NZ-OE1 3.65Å; K208-E210 PolarHBondContact NZ-OE1 2.9Å
209Q95Very high94.8Very high53 Ų5363.6 Ų63.625%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-129119.4174.7178.26154.900109.6V190 V212 Y245V190-Q209 HydrophobicContact CB-CB 4.26Å; V190-Q209 PolarHBondContact N-O 3.49Å; V190-Q209 PolarHBondContact O-N 2.83Å; Q209-V212 HydrophobicContact CB-CG1 4.28Å; Q209-V212 HydrophobicContact CG-CG1 3.63Å; Q209-Y245 HydrophobicContact CG-CE2 3.98Å
210E94.1Very high94.9Very high62 Ų6259.1 Ų59.129%0.2930%0.301SS..EExtended strand (participates in β ladder)trans-87.9148.7176.9-54.3-67.717100110.1H189 K208H189-E210 IonicContact CE1-OE2 2.73Å; H189-E210 PolarHBondContact CE1-OE2 2.88Å; H189-E210 IonicContact CG-OE2 3.47Å; H189-E210 WeakPolarHBondContact ND1-CA 3.23Å; H189-E210 IonicContact ND1-OE2 3.53Å; H189-E210 PolarHBondContact ND1-OE2 3.25Å; K208-E210 WeakPolarHBondContact CD-OE1 3.32Å; K208-E210 VanDerWaalsContact CE-OE1 3.3Å; K208-E210 WeakPolarHBondContact CE-OE1 3.48Å; K208-E210 IonicContact NZ-OE1 3.65Å; K208-E210 PolarHBondContact NZ-OE1 2.9Å
211N92.5Very high95Very high111 Ų11154.1 Ų54.159%0.59428%0.283SS*.EExtended strand (participates in β ladder)trans56.456174.7-48-51.5000113.2R188 H189R188-N211 CarbonylContact O-C 3.59Å; R188-N211 WeakPolarHBondContact O-CA 3.49Å; H189-N211 PolarHBondContact CE1-N 2.86Å; H189-N211 PolarHBondContact CE1-OD1 3.42Å; H189-N211 VanDerWaalsContact CE1-OD1 3.27Å; H189-N211 PolarHBondContact ND1-N 2.76Å
212V94.6Very high95.1Very high14 Ų1449.5 Ų49.59%0.08526%0.261CS..EExtended strand (participates in β ladder)trans-71.7174.1165-60.50000110.1R188 V190 Q209 A214 A216R188-V212 VanDerWaalsContact C-CG2 3.5Å; R188-V212 HydrophobicContact CB-CG2 3.8Å; R188-V212 VanDerWaalsContact O-CG2 3.3Å; R188-V212 WeakPolarHBondContact O-CG2 3.48Å; R188-V212 PolarHBondContact O-N 2.85Å; V190-V212 HydrophobicContact CB-CG1 4.44Å; V190-V212 HydrophobicContact CG2-CG1 3.73Å; V190-V212 HydrophobicContact CG2-CG2 4.16Å; Q209-V212 HydrophobicContact CB-CG1 4.28Å; Q209-V212 HydrophobicContact CG-CG1 3.63Å; V212-A214 PolarHBondContact O-N 2.8Å; V212-A216 HydrophobicContact CG2-CB 3.91Å
213E93.1Very high95Very high35 Ų3548.2 Ų48.216%0.16426%0.256CS..  trans-49.8136.4178-167.2-158.9134.900112.2E215 A216 G233 Q234 E235 S236E213-E215 PolarHBondContact O-N 2.75Å; E213-E215 VanDerWaalsContact O-N 3.09Å; E213-A216 HydrophobicContact CB-CB 4.42Å; E213-A216 VanDerWaalsContact O-CB 3.23Å; E213-A216 WeakPolarHBondContact O-CB 3.49Å; E213-A216 PolarHBondContact O-N 2.83Å; E213-G233 VanDerWaalsContact OE2-CA 3.27Å; E213-G233 WeakPolarHBondContact OE2-CA 3.08Å; E213-Q234 PolarHBondContact OE1-N 3.42Å; E213-E235 PolarHBondContact OE1-N 2.99Å; E213-E235 PolarHBondContact OE2-N 3.44Å; E213-S236 WeakPolarHBondContact OE2-CA 3.45Å; E213-S236 WeakPolarHBondContact OE2-CB 3.31Å; E213-S236 PolarHBondContact OE2-N 3.3Å; E213-S236 PolarHBondContact OE2-OG 3.26Å
214A91.8Very high94.8Very high76 Ų7651.6 Ų51.663%0.62827%0.27SS*.THydrogen-bonded Turntrans-60-23.6-174.600000113.9R188 V212R188-A214 WeakPolarHBondContact CD-O 3.33Å; R188-A214 PolarHBondContact NE-O 3.35Å; V212-A214 PolarHBondContact O-N 2.8Å
215E92.3Very high94.7Very high91 Ų9145.8 Ų45.843%0.42525%0.251SS..THydrogen-bonded Turntrans-10812178.2-59.7-148.5176.700114.3R188 E213 S217 Q234R188-E215 PolarHBondContact NH1-O 2.8Å; E213-E215 PolarHBondContact O-N 2.75Å; E213-E215 VanDerWaalsContact O-N 3.09Å; E215-S217 PolarHBondContact O-N 3Å; E215-Q234 HydrophobicContact CB-CB 3.82Å; E215-Q234 HydrophobicContact CG-CB 4.47Å; E215-Q234 PolarHBondContact OE1-OE1 3.21Å; E215-Q234 PolarHBondContact OE2-OE1 3.4Å
216A94.9Very high94.7Very high1 Ų145.9 Ų45.91%0.00825%0.249CC..  trans-52107.9174.700000112.6V181 R188 V212 E213 I231 I232V181-A216 HydrophobicContact CG1-CB 4.35Å; R188-A216 VanDerWaalsContact CD-O 3.32Å; R188-A216 WeakPolarHBondContact CD-O 3.14Å; R188-A216 PolarHBondContact NH1-O 3.48Å; V212-A216 HydrophobicContact CG2-CB 3.91Å; E213-A216 HydrophobicContact CB-CB 4.42Å; E213-A216 VanDerWaalsContact O-CB 3.23Å; E213-A216 WeakPolarHBondContact O-CB 3.49Å; E213-A216 PolarHBondContact O-N 2.83Å; A216-I231 HydrophobicContact CB-CG2 3.85Å; A216-I232 CarbonylContact C-O 3.59Å; A216-I232 WeakPolarHBondContact CA-O 3.32Å
217S94.3Very high94.7Very high36 Ų3642.9 Ų42.925%0.25223%0.232SC..  trans-113.5-16.3-16760.50000114.1E215 I232E215-S217 PolarHBondContact O-N 3Å; S217-I232 PolarHBondContact N-O 3.03Å
218M96.2Very high94.7Very high27 Ų2742 Ų4213%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-134.4147.6-175.3-55-170.8159.700113.6I231 I232 V259M218-I231 WeakPolarHBondContact O-CA 3.41Å; M218-I232 HydrophobicContact CB-CB 4.18Å; M218-I232 PolarHBondContact N-O 3.03Å; M218-I232 PolarHBondContact O-N 3.31Å; M218-I232 VanDerWaalsContact O-N 3.1Å; M218-V259 WeakPolarHBondContact CE-O 3.27Å
219V97.6Very high94.8Very high0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-118.7127.1169-1770000108.9D166 K168 C179 V181 A229 I230 I231D166-V219 HydrophobicContact CB-CG2 4.22Å; D166-V219 PolarHBondContact OD2-N 2.93Å; K168-V219 HydrophobicContact CB-CG1 4.11Å; K168-V219 WeakPolarHBondContact CE-O 3.4Å; K168-V219 HydrophobicContact CG-CB 4.14Å; K168-V219 HydrophobicContact CG-CG1 4.09Å; K168-V219 WeakPolarHBondContact CG-O 3.3Å; C179-V219 HydrophobicContact CB-CG1 4.36Å; V181-V219 HydrophobicContact CB-CG2 4.25Å; V181-V219 HydrophobicContact CG2-CG2 3.47Å; V181-V219 VanDerWaalsContact CG2-CG2 3.47Å; V219-A229 HydrophobicContact CG1-CB 4.02Å; V219-I230 CarbonylContact C-O 3.59Å; V219-I230 WeakPolarHBondContact CA-O 3.36Å; V219-I231 HydrophobicContact CB-CD1 4.37Å; V219-I231 HydrophobicContact CG1-CD1 4.15Å; V219-I231 HydrophobicContact CG2-CD1 3.87Å
220I97.7Very high94.9Very high5 Ų533.9 Ų33.93%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-117113.9173.9-50.2-179000107.8V222 A229 I230 I232 H261 Y271 L273I220-V222 PolarHBondContact O-N 2.93Å; I220-A229 CarbonylContact O-C 3.57Å; I220-A229 WeakPolarHBondContact O-CA 3.48Å; I220-I230 HydrophobicContact CB-CB 4.16Å; I220-I230 PolarHBondContact N-O 3.41Å; I220-I230 PolarHBondContact O-N 3.41Å; I220-I232 HydrophobicContact CD1-CD1 3.61Å; I220-I232 HydrophobicContact CD1-CG1 4.3Å; I220-I232 HydrophobicContact CG1-CD1 4.5Å; I220-H261 HydrophobicContact CD1-CB 3.85Å; I220-H261 VanDerWaalsContact CD1-CG 3.47Å; I220-Y271 HydrophobicContact CG2-CD1 3.99Å; I220-Y271 HydrophobicContact CG2-CE1 3.52Å; I220-L273 HydrophobicContact CD1-CD2 4.42Å
221A97.5Very high95.1Very high15 Ų1531.2 Ų31.212%0.12418%0.183CC..EExtended strand (participates in β ladder)trans-69.5130.5173.400000110.4K168 F169 Y171K168-A221 HydrophobicContact CB-CB 4.1Å; F169-A221 WeakPolarHBondContact O-CB 3.3Å; Y171-A221 HydrophobicContact CD2-CB 3.81Å; Y171-A221 HydrophobicContact CE2-CB 3.68Å
222V97.4Very high95.3Very high0 Ų026 Ų260%016%0.155CC..  trans-98.2124-178.9-173.10000109I220 F226 G227 G228 I230 Y239 L285I220-V222 PolarHBondContact O-N 2.93Å; V222-F226 HydrophobicContact CG1-CB 3.78Å; V222-F226 HydrophobicContact CG1-CD2 4.12Å; V222-F226 HydrophobicContact CG1-CG 4.45Å; V222-G227 CarbonylContact O-C 3.57Å; V222-G227 VanDerWaalsContact O-CA 3.3Å; V222-G227 WeakPolarHBondContact O-CA 3.38Å; V222-G228 PolarHBondContact N-O 3.23Å; V222-I230 HydrophobicContact CG2-CD1 3.73Å; V222-I230 HydrophobicContact CG2-CG1 3.65Å; V222-Y239 HydrophobicContact CB-CE2 4.38Å; V222-Y239 HydrophobicContact CG1-CE2 4.44Å; V222-Y239 HydrophobicContact CG2-CD2 4.19Å; V222-Y239 HydrophobicContact CG2-CE2 4.09Å; V222-L285 HydrophobicContact CG1-CD2 3.99Å
223P96.2Very high95.3Very high7 Ų725.5 Ų25.55%0.04515%0.152CC..  trans-69.1174.1177.233-39.2000112.3Y171 F226 G227 N267 Y271Y171-P223 HydrophobicContact CD1-CB 4.22Å; Y171-P223 HydrophobicContact CD2-CB 4.17Å; Y171-P223 HydrophobicContact CE1-CB 4.46Å; Y171-P223 HydrophobicContact CE2-CB 4.39Å; Y171-P223 HydrophobicContact CG-CB 4.09Å; P223-F226 PolarHBondContact O-N 2.94Å; P223-G227 PolarHBondContact O-N 2.87Å; P223-N267 VanDerWaalsContact CG-C 3.48Å; P223-Y271 WeakPolarHBondContact CD-OH 3.14Å
224E92.5Very high95.2Very high134 Ų13426.5 Ų26.563%0.62616%0.157SC*.THydrogen-bonded Turntrans-60.3144.6167-72-177.3-176.500110.7
225P92.3Very high95.2Very high64 Ų6427.5 Ų27.542%0.41615%0.149SC..THydrogen-bonded Turncis-89.4-11.813.735.3-36.7000115.3V295P225-V295 HydrophobicContact CB-CB 4.07Å; P225-V295 HydrophobicContact CB-CG1 4.41Å; P225-V295 HydrophobicContact CG-CB 4.07Å; P225-V295 HydrophobicContact CG-CG1 3.88Å
226F93.2Very high95.3Very high11 Ų1124.1 Ų24.15%0.04814%0.135CC..THydrogen-bonded Turntrans-75.8-42.1-173-54.5-61.5000112.7V222 P223 Y239 L285 K287 V295 L297V222-F226 HydrophobicContact CG1-CB 3.78Å; V222-F226 HydrophobicContact CG1-CD2 4.12Å; V222-F226 HydrophobicContact CG1-CG 4.45Å; P223-F226 PolarHBondContact O-N 2.94Å; F226-Y239 HydrophobicContact CB-CE2 4.42Å; F226-Y239 PolarHBondContact O-OH 3.1Å; F226-L285 HydrophobicContact CD2-CD2 4.04Å; F226-L285 HydrophobicContact CE2-CB 4.05Å; F226-L285 HydrophobicContact CE2-CD2 4.34Å; F226-L285 HydrophobicContact CZ-CB 4.39Å; F226-K287 HydrophobicContact CE1-CB 3.85Å; F226-K287 HydrophobicContact CZ-CB 3.88Å; F226-V295 HydrophobicContact CD1-CG1 4.45Å; F226-V295 HydrophobicContact CE1-CG1 3.93Å; F226-L297 HydrophobicContact CD1-CB 3.93Å; F226-L297 HydrophobicContact CD1-CD1 4.46Å; F226-L297 HydrophobicContact CE1-CB 4.28Å; F226-L297 HydrophobicContact CE1-CD1 4.25Å; F226-L297 HydrophobicContact CZ-CD1 4.43Å
227G94Very high95.4Very high15 Ų1524 Ų2416%0.15514%0.135CC..  trans61.6178.6-172.800000113.3V222 P223 Y239V222-G227 CarbonylContact O-C 3.57Å; V222-G227 VanDerWaalsContact O-CA 3.3Å; V222-G227 WeakPolarHBondContact O-CA 3.38Å; P223-G227 PolarHBondContact O-N 2.87Å; G227-Y239 WeakPolarHBondContact O-CE2 3.32Å; G227-Y239 PolarHBondContact O-OH 3.3Å
228G95.8Very high95.5Very high8 Ų822.7 Ų22.78%0.08213%0.125CC..SBendtrans83.6-153.9179.800000113.7L170 V222 H240L170-G228 WeakPolarHBondContact CD2-O 3.41Å; V222-G228 PolarHBondContact N-O 3.23Å; G228-H240 WeakPolarHBondContact CA-O 3.5Å
229A97.7Very high95.6Very high0 Ų021.5 Ų21.50%012%0.119CC..EExtended strand (participates in β ladder)trans-140.5150.9-178.300000112.5L170 W207 V219 I220 I231 Y239 H240L170-A229 HydrophobicContact CD2-CB 4.11Å; W207-A229 HydrophobicContact CH2-CB 4.31Å; V219-A229 HydrophobicContact CG1-CB 4.02Å; I220-A229 CarbonylContact O-C 3.57Å; I220-A229 WeakPolarHBondContact O-CA 3.48Å; A229-I231 HydrophobicContact CB-CD1 4.37Å; A229-Y239 WeakPolarHBondContact O-CA 3.48Å; A229-H240 PolarHBondContact N-O 3.45Å; A229-H240 PolarHBondContact O-N 3.24Å
230I98Very high95.5Very high0 Ų022.2 Ų22.20%012%0.122CC..EExtended strand (participates in β ladder)trans-100.4136.1164.5-59.4154.2000107.7V219 I220 V222 I232 I237 T238 Y239 Y271 L283 L285V219-I230 CarbonylContact C-O 3.59Å; V219-I230 WeakPolarHBondContact CA-O 3.36Å; I220-I230 HydrophobicContact CB-CB 4.16Å; I220-I230 PolarHBondContact N-O 3.41Å; I220-I230 PolarHBondContact O-N 3.41Å; V222-I230 HydrophobicContact CG2-CD1 3.73Å; V222-I230 HydrophobicContact CG2-CG1 3.65Å; I230-I232 HydrophobicContact CG2-CG1 4.21Å; I230-I237 HydrophobicContact CG2-CG2 3.46Å; I230-I237 VanDerWaalsContact CG2-CG2 3.46Å; I230-T238 CarbonylContact C-O 3.09Å; I230-T238 VanDerWaalsContact CA-O 3.27Å; I230-T238 WeakPolarHBondContact CA-O 3.28Å; I230-Y239 HydrophobicContact CG1-CD2 4.17Å; I230-Y271 HydrophobicContact CD1-CD2 4.09Å; I230-Y271 HydrophobicContact CD1-CE2 3.73Å; I230-L283 HydrophobicContact CD1-CD2 4.03Å; I230-L283 HydrophobicContact CG2-CD2 4.19Å; I230-L285 HydrophobicContact CD1-CD1 3.87Å; I230-L285 HydrophobicContact CD1-CD2 4.11Å
231I97.8Very high95.3Very high6 Ų624.1 Ų24.13%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-115.5120.7178.5-47.9-61.9000106.8V181 V190 A216 M218 V219 A229 I237 T238V181-I231 HydrophobicContact CG2-CD1 4.13Å; V181-I231 HydrophobicContact CG2-CG2 3.93Å; V190-I231 HydrophobicContact CG1-CD1 4.23Å; V190-I231 HydrophobicContact CG2-CD1 3.82Å; V190-I231 HydrophobicContact CG2-CG1 3.93Å; V190-I231 HydrophobicContact CG2-CG2 4.35Å; A216-I231 HydrophobicContact CB-CG2 3.85Å; M218-I231 WeakPolarHBondContact O-CA 3.41Å; V219-I231 HydrophobicContact CB-CD1 4.37Å; V219-I231 HydrophobicContact CG1-CD1 4.15Å; V219-I231 HydrophobicContact CG2-CD1 3.87Å; A229-I231 HydrophobicContact CB-CD1 4.37Å; I231-I237 WeakPolarHBondContact O-CA 3.31Å; I231-T238 PolarHBondContact N-O 3.49Å; I231-T238 PolarHBondContact O-N 3.41Å
232I96.7Very high95.1Very high1 Ų124.9 Ų24.91%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-105.5124.8178.6-56.5-176.8000108.1A216 S217 M218 I220 I230 I237 I258 L273A216-I232 CarbonylContact C-O 3.59Å; A216-I232 WeakPolarHBondContact CA-O 3.32Å; S217-I232 PolarHBondContact N-O 3.03Å; M218-I232 HydrophobicContact CB-CB 4.18Å; M218-I232 PolarHBondContact N-O 3.03Å; M218-I232 PolarHBondContact O-N 3.31Å; M218-I232 VanDerWaalsContact O-N 3.1Å; I220-I232 HydrophobicContact CD1-CD1 3.61Å; I220-I232 HydrophobicContact CD1-CG1 4.3Å; I220-I232 HydrophobicContact CG1-CD1 4.5Å; I230-I232 HydrophobicContact CG2-CG1 4.21Å; I232-I237 HydrophobicContact CG1-CG1 4.44Å; I232-I237 HydrophobicContact CG1-CG2 4.45Å; I232-I237 HydrophobicContact CG2-CG1 4.41Å; I232-I258 HydrophobicContact CD1-CG2 4.35Å; I232-I258 HydrophobicContact CG2-CB 3.95Å; I232-I258 HydrophobicContact CG2-CG1 4.2Å; I232-I258 HydrophobicContact CG2-CG2 4.19Å; I232-L273 HydrophobicContact CD1-CD1 4.22Å; I232-L273 HydrophobicContact CD1-CD2 3.54Å
233G94.6Very high94.8Very high3 Ų332.8 Ų32.83%0.03118%0.184CC..  trans-113.9-170.9162.300000111.6E213 S236E213-G233 VanDerWaalsContact OE2-CA 3.27Å; E213-G233 WeakPolarHBondContact OE2-CA 3.08Å; G233-S236 PolarHBondContact N-O 3.23Å
234Q91.3Very high94.6Very high57 Ų5735.4 Ų35.427%0.26620%0.195SC..SBendtrans-72.3-35.2179.6-167.2-17027.100111.2E213 E215 I253E213-Q234 PolarHBondContact OE1-N 3.42Å; E215-Q234 HydrophobicContact CB-CB 3.82Å; E215-Q234 HydrophobicContact CG-CB 4.47Å; E215-Q234 PolarHBondContact OE1-OE1 3.21Å; E215-Q234 PolarHBondContact OE2-OE1 3.4Å; Q234-I253 CarbonylContact O-C 3.55Å
235E91.4Very high94.6Very high96 Ų9634 Ų3445%0.44919%0.185SC..SBendtrans-103.7-24.1-175.1-68.2-162.2-141.200114.8E213 A249 K254E213-E235 PolarHBondContact OE1-N 2.99Å; E213-E235 PolarHBondContact OE2-N 3.44Å; E235-A249 WeakPolarHBondContact O-CA 3.41Å; E235-A249 WeakPolarHBondContact O-CB 3.45Å; E235-K254 HydrophobicContact CG-CD 4.38Å; E235-K254 IonicContact OE2-NZ 3.02Å; E235-K254 PolarHBondContact OE2-NZ 3.2Å
236S94.7Very high94.8Very high20 Ų2032.8 Ų32.814%0.1417%0.174CC..  trans-144.3152.9-170.472.60000113.8E213 G233 I248E213-S236 WeakPolarHBondContact OE2-CA 3.45Å; E213-S236 WeakPolarHBondContact OE2-CB 3.31Å; E213-S236 PolarHBondContact OE2-N 3.3Å; E213-S236 PolarHBondContact OE2-OG 3.26Å; G233-S236 PolarHBondContact N-O 3.23Å; S236-I248 CarbonylContact C-O 3.41Å; S236-I248 WeakPolarHBondContact CA-O 3.43Å; S236-I248 WeakPolarHBondContact CB-O 3.37Å
237I96.9Very high94.8Very high0 Ų034.8 Ų34.80%019%0.193CC..EExtended strand (participates in β ladder)trans-118.1124169.9-60.1177.3000107.4I230 I231 I232 A247 I248 I253 L273 L283 L300 V302I230-I237 HydrophobicContact CG2-CG2 3.46Å; I230-I237 VanDerWaalsContact CG2-CG2 3.46Å; I231-I237 WeakPolarHBondContact O-CA 3.31Å; I232-I237 HydrophobicContact CG1-CG1 4.44Å; I232-I237 HydrophobicContact CG1-CG2 4.45Å; I232-I237 HydrophobicContact CG2-CG1 4.41Å; I237-A247 WeakPolarHBondContact O-CA 3.33Å; I237-I248 HydrophobicContact CB-CD1 4.42Å; I237-I248 HydrophobicContact CB-CG1 4.01Å; I237-I248 PolarHBondContact N-O 2.89Å; I237-I248 PolarHBondContact O-N 2.79Å; I237-I253 HydrophobicContact CD1-CD1 4.11Å; I237-I253 HydrophobicContact CG1-CD1 3.8Å; I237-L273 HydrophobicContact CD1-CD1 3.83Å; I237-L283 HydrophobicContact CD1-CD1 4.42Å; I237-L283 HydrophobicContact CG2-CD1 4.4Å; I237-L283 HydrophobicContact CG2-CD2 4.09Å; I237-L300 HydrophobicContact CG2-CD1 4.37Å; I237-V302 HydrophobicContact CD1-CG2 3.75Å
238T96.6Very high94.9Very high7 Ų735.6 Ų35.64%0.04319%0.193CC..EExtended strand (participates in β ladder)trans-121.4125.9-174.5-610000110.9I230 I231 Y245 L246 A247I230-T238 CarbonylContact C-O 3.09Å; I230-T238 VanDerWaalsContact CA-O 3.27Å; I230-T238 WeakPolarHBondContact CA-O 3.28Å; I231-T238 PolarHBondContact N-O 3.49Å; I231-T238 PolarHBondContact O-N 3.41Å; T238-Y245 HydrophobicContact CG2-CD2 3.96Å; T238-Y245 HydrophobicContact CG2-CE1 4.35Å; T238-Y245 HydrophobicContact CG2-CE2 3.27Å; T238-L246 CarbonylContact C-O 3.5Å; T238-L246 VanDerWaalsContact CA-O 3.28Å; T238-L246 WeakPolarHBondContact CA-O 3.3Å; T238-A247 HydrophobicContact CG2-CB 4.37Å
239Y97.2Very high94.9Very high2 Ų237.9 Ų37.91%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-97136166.7169.4-93.8000111V222 F226 G227 A229 I230 N241 K244 Y245 L246 L297V222-Y239 HydrophobicContact CB-CE2 4.38Å; V222-Y239 HydrophobicContact CG1-CE2 4.44Å; V222-Y239 HydrophobicContact CG2-CD2 4.19Å; V222-Y239 HydrophobicContact CG2-CE2 4.09Å; F226-Y239 HydrophobicContact CB-CE2 4.42Å; F226-Y239 PolarHBondContact O-OH 3.1Å; G227-Y239 WeakPolarHBondContact O-CE2 3.32Å; G227-Y239 PolarHBondContact O-OH 3.3Å; A229-Y239 WeakPolarHBondContact O-CA 3.48Å; I230-Y239 HydrophobicContact CG1-CD2 4.17Å; Y239-N241 HydrophobicContact CE1-CB 4.19Å; Y239-N241 WeakPolarHBondContact OH-CB 3.21Å; Y239-N241 PolarHBondContact OH-ND2 3.21Å; Y239-N241 VanDerWaalsContact OH-ND2 3.14Å; Y239-K244 HydrophobicContact CE1-CB 4.48Å; Y239-Y245 WeakPolarHBondContact O-CA 3.47Å; Y239-L246 PolarHBondContact N-O 3.02Å; Y239-L246 PolarHBondContact O-N 3.47Å; Y239-L297 HydrophobicContact CD1-CB 4.49Å; Y239-L297 HydrophobicContact CD1-CD2 3.36Å; Y239-L297 HydrophobicContact CD1-CG 4.5Å; Y239-L297 HydrophobicContact CD2-CD2 3.72Å; Y239-L297 HydrophobicContact CE1-CB 4.07Å; Y239-L297 HydrophobicContact CE1-CD2 3.73Å; Y239-L297 HydrophobicContact CE2-CD2 4.08Å; Y239-L297 HydrophobicContact CG-CD2 3.31Å
240H96.2Very high94.6Very high15 Ų1538.9 Ų38.97%0.06922%0.218CC..EExtended strand (participates in β ladder)trans-145.4129.9175.1-164.6-27.8000111.7W207 G228 A229 G242 K244 Y245W207-H240 AromaticContact CE3-CE1 3.94Å; W207-H240 AromaticContact CE3-CG 3.99Å; W207-H240 AromaticContact CE3-ND1 3.83Å; W207-H240 HydrophobicContact CH2-CB 4.24Å; W207-H240 WeakPolarHBondContact CZ2-O 3.37Å; W207-H240 HydrophobicContact CZ3-CB 4.11Å; W207-H240 AromaticContact CZ3-CG 3.84Å; G228-H240 WeakPolarHBondContact CA-O 3.5Å; A229-H240 PolarHBondContact N-O 3.45Å; A229-H240 PolarHBondContact O-N 3.24Å; H240-G242 PolarHBondContact CE1-N 3.44Å; H240-G242 PolarHBondContact ND1-N 2.95Å; H240-K244 WeakPolarHBondContact CA-O 3.18Å; H240-Y245 HydrophobicContact CB-CD2 4.33Å; H240-Y245 AromaticContact CD2-CD2 3.56Å
241N94.2Very high94.2Very high45 Ų4544 Ų4424%0.24125%0.251CS..  trans-121.9-5.7174.972.3-3.5000116.1W207 Y239 D243 K244W207-N241 PolarHBondContact NE1-O 2.99Å; Y239-N241 HydrophobicContact CE1-CB 4.19Å; Y239-N241 WeakPolarHBondContact OH-CB 3.21Å; Y239-N241 PolarHBondContact OH-ND2 3.21Å; Y239-N241 VanDerWaalsContact OH-ND2 3.14Å; N241-D243 PolarHBondContact OD1-N 2.81Å; N241-D243 VanDerWaalsContact OD1-N 3.1Å; N241-K244 PolarHBondContact N-O 3.28Å; N241-K244 PolarHBondContact OD1-N 2.82Å; N241-K244 PolarHBondContact OD1-O 2.95Å
242G92Very high93.8Very high32 Ų3246.2 Ų46.233%0.3326%0.263SS..SBendtrans122-38178.400000110.8W207 H240W207-G242 VanDerWaalsContact CD1-CA 3.44Å; W207-G242 VanDerWaalsContact CG-CA 3.48Å; H240-G242 PolarHBondContact CE1-N 3.44Å; H240-G242 PolarHBondContact ND1-N 2.95Å
243D90.8Very high93.5Very high166 Ų16646.1 Ų46.189%0.88826%0.262SS*.SBendtrans-103.1-38.5-179.9-60.8-44.2000112N241N241-D243 PolarHBondContact OD1-N 2.81Å; N241-D243 VanDerWaalsContact OD1-N 3.1Å
244K92.1Very high93.2Very high62 Ų6250.3 Ų50.327%0.2728%0.28SS..  trans-114.4136.3-178.5-164.9163.6-168.5170.40110.8Y239 H240 N241 L246 L297Y239-K244 HydrophobicContact CE1-CB 4.48Å; H240-K244 WeakPolarHBondContact CA-O 3.18Å; N241-K244 PolarHBondContact N-O 3.28Å; N241-K244 PolarHBondContact OD1-N 2.82Å; N241-K244 PolarHBondContact OD1-O 2.95Å; K244-L246 HydrophobicContact CD-CD1 4.31Å; K244-L246 HydrophobicContact CD-CG 4.47Å; K244-L246 HydrophobicContact CG-CG 4.23Å; K244-L297 WeakPolarHBondContact CD-O 3.47Å; K244-L297 WeakPolarHBondContact CE-O 3.25Å; K244-L297 PolarHBondContact NZ-O 2.91Å
245Y93.9Very high92.9Very high105 Ų10553.4 Ų53.441%0.41229%0.294SS..EExtended strand (participates in β ladder)trans-127.3122.9174.7179.5-87.9000108.3Q209 T238 Y239 H240 A247Q209-Y245 HydrophobicContact CG-CE2 3.98Å; T238-Y245 HydrophobicContact CG2-CD2 3.96Å; T238-Y245 HydrophobicContact CG2-CE1 4.35Å; T238-Y245 HydrophobicContact CG2-CE2 3.27Å; Y239-Y245 WeakPolarHBondContact O-CA 3.47Å; H240-Y245 HydrophobicContact CB-CD2 4.33Å; H240-Y245 AromaticContact CD2-CD2 3.56Å; Y245-A247 HydrophobicContact CE1-CB 4.09Å
246L95.3Very high92.8Very high37 Ų3749.4 Ų49.419%0.19428%0.277CS..EExtended strand (participates in β ladder)trans-133.7133.3177.6-70.7174.9000108.8T238 Y239 K244 L297T238-L246 CarbonylContact C-O 3.5Å; T238-L246 VanDerWaalsContact CA-O 3.28Å; T238-L246 WeakPolarHBondContact CA-O 3.3Å; Y239-L246 PolarHBondContact N-O 3.02Å; Y239-L246 PolarHBondContact O-N 3.47Å; K244-L246 HydrophobicContact CD-CD1 4.31Å; K244-L246 HydrophobicContact CD-CG 4.47Å; K244-L246 HydrophobicContact CG-CG 4.23Å; L246-L297 HydrophobicContact CD1-CD2 3.91Å; L246-L297 HydrophobicContact CD1-CG 3.98Å
247A94.5Very high92.8Very high54 Ų5451 Ų5145%0.44629%0.286SS..EExtended strand (participates in β ladder)trans-133.7136.4177.200000110.1I237 T238 Y245I237-A247 WeakPolarHBondContact O-CA 3.33Å; T238-A247 HydrophobicContact CG2-CB 4.37Å; Y245-A247 HydrophobicContact CE1-CB 4.09Å
248I96Very high92.7Very high31 Ų3151.1 Ų51.116%0.15929%0.287CS..EExtended strand (participates in β ladder)trans-122.6150172.556.6165.6000109.2S236 I237 P250 L283 L300 V302S236-I248 CarbonylContact C-O 3.41Å; S236-I248 WeakPolarHBondContact CA-O 3.43Å; S236-I248 WeakPolarHBondContact CB-O 3.37Å; I237-I248 HydrophobicContact CB-CD1 4.42Å; I237-I248 HydrophobicContact CB-CG1 4.01Å; I237-I248 PolarHBondContact N-O 2.89Å; I237-I248 PolarHBondContact O-N 2.79Å; I248-P250 HydrophobicContact CD1-CG 3.93Å; I248-P250 HydrophobicContact CG1-CG 4.34Å; I248-L283 HydrophobicContact CD1-CD1 4.45Å; I248-L300 HydrophobicContact CD1-CB 3.57Å; I248-L300 HydrophobicContact CG1-CB 3.95Å; I248-L300 HydrophobicContact CG1-CD1 4.21Å; I248-L300 HydrophobicContact CG2-CB 4Å; I248-V302 HydrophobicContact CD1-CG2 3.78Å
249A94.3Very high92.7Very high56 Ų5652.6 Ų52.646%0.46330%0.295SS..  trans-129.171.5175.800000110.5E235E235-A249 WeakPolarHBondContact O-CA 3.41Å; E235-A249 WeakPolarHBondContact O-CB 3.45Å
250P92.4Very high92.7Very high21 Ų2152.9 Ų52.914%0.13630%0.297CS..  trans-58.2128.7178.5-20.632000110.7I248 I252 I253 V302I248-P250 HydrophobicContact CD1-CG 3.93Å; I248-P250 HydrophobicContact CG1-CG 4.34Å; P250-I252 HydrophobicContact CB-CG2 4.31Å; P250-I252 PolarHBondContact O-N 3.28Å; P250-I252 VanDerWaalsContact O-N 3.1Å; P250-I253 HydrophobicContact CB-CG1 4.22Å; P250-I253 HydrophobicContact CB-CG2 4.45Å; P250-I253 HydrophobicContact CG-CD1 4.35Å; P250-I253 HydrophobicContact CG-CG1 4.38Å; P250-I253 VanDerWaalsContact O-CG1 3.23Å; P250-I253 WeakPolarHBondContact O-CG1 3.49Å; P250-I253 PolarHBondContact O-N 2.99Å; P250-V302 HydrophobicContact CB-CB 4.46Å; P250-V302 HydrophobicContact CG-CB 3.97Å; P250-V302 HydrophobicContact CG-CG2 3.87Å
251P90.1Very high92.7Very high108 Ų10854.6 Ų54.670%0.70131%0.305SS*.THydrogen-bonded Turntrans-57.9-29.1-179.7-27.335.2000113.9K254P251-K254 WeakPolarHBondContact O-CB 3.45Å; P251-K254 PolarHBondContact O-N 3.12Å
252I88.6Confident92.9Very high52 Ų5254 Ų5427%0.26730%0.302SS..THydrogen-bonded Turntrans-71.4-32.4-175.9-160.9165000113.6P250 K254 Q255 F281 L304P250-I252 HydrophobicContact CB-CG2 4.31Å; P250-I252 PolarHBondContact O-N 3.28Å; P250-I252 VanDerWaalsContact O-N 3.1Å; I252-K254 PolarHBondContact O-N 3.02Å; I252-Q255 PolarHBondContact O-N 3.03Å; I252-F281 HydrophobicContact CB-CE1 4.47Å; I252-F281 HydrophobicContact CD1-CE1 4.02Å; I252-F281 HydrophobicContact CG1-CE1 3.98Å; I252-F281 HydrophobicContact CG1-CZ 4.44Å; I252-F281 HydrophobicContact CG2-CD1 4.37Å; I252-F281 HydrophobicContact CG2-CE1 3.75Å; I252-L304 HydrophobicContact CD1-CB 4.03Å; I252-L304 HydrophobicContact CD1-CD2 3.77Å; I252-L304 HydrophobicContact CD1-CG 4.33Å
253I90.2Very high93.1Very high0 Ų057 Ų570%030%0.303CS..G310 helixtrans-75.5-17.1178.666.5164.5000112.1Q234 I237 P250 Q255 I258 V302Q234-I253 CarbonylContact O-C 3.55Å; I237-I253 HydrophobicContact CD1-CD1 4.11Å; I237-I253 HydrophobicContact CG1-CD1 3.8Å; P250-I253 HydrophobicContact CB-CG1 4.22Å; P250-I253 HydrophobicContact CB-CG2 4.45Å; P250-I253 HydrophobicContact CG-CD1 4.35Å; P250-I253 HydrophobicContact CG-CG1 4.38Å; P250-I253 VanDerWaalsContact O-CG1 3.23Å; P250-I253 WeakPolarHBondContact O-CG1 3.49Å; P250-I253 PolarHBondContact O-N 2.99Å; I253-Q255 PolarHBondContact O-N 2.96Å; I253-I258 HydrophobicContact CG2-CD1 4.4Å; I253-V302 HydrophobicContact CG2-CG1 4.36Å
254K88.4Confident93.4Very high91 Ų9149.6 Ų49.640%0.39626%0.264SS..G310 helixtrans-69.9-16176.5-56.4-160.3172.9-150.10113.4E235 P251 I252E235-K254 HydrophobicContact CG-CD 4.38Å; E235-K254 IonicContact OE2-NZ 3.02Å; E235-K254 PolarHBondContact OE2-NZ 3.2Å; P251-K254 WeakPolarHBondContact O-CB 3.45Å; P251-K254 PolarHBondContact O-N 3.12Å; I252-K254 PolarHBondContact O-N 3.02Å
255Q86Confident93.5Very high121 Ų12148.2 Ų48.257%0.56526%0.26SS*.G310 helixtrans-82-25.9-175.3-65.4178-18.900112.3I252 I253I252-Q255 PolarHBondContact O-N 3.03Å; I253-Q255 PolarHBondContact O-N 2.96Å
256S89.6Confident93.4Very high12 Ų1248.3 Ų48.38%0.08427%0.273CS..SBendtrans-155.3144.8177.6173.60000110.6I258 D275 M276 E277S256-I258 PolarHBondContact O-N 3.26Å; S256-D275 WeakPolarHBondContact CB-OD2 3.41Å; S256-M276 PolarHBondContact OG-N 3.27Å; S256-E277 PolarHBondContact OG-N 2.84Å
257T92.8Very high93.3Very high53 Ų5349.9 Ų49.933%0.32528%0.282SS..  trans-66.5130.5178.9-54.50000111.7D275 M276T257-D275 VanDerWaalsContact O-CA 3.3Å; T257-D275 WeakPolarHBondContact O-CA 3.47Å; T257-D275 VanDerWaalsContact O-CB 3.31Å; T257-D275 WeakPolarHBondContact O-CB 3.24Å; T257-M276 PolarHBondContact O-N 3.43Å
258I96.6Very high93.3Very high4 Ų447.3 Ų47.32%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-70.7126.6169.1-58-70000108.9I232 I253 S256 L273 D275 F281I232-I258 HydrophobicContact CD1-CG2 4.35Å; I232-I258 HydrophobicContact CG2-CB 3.95Å; I232-I258 HydrophobicContact CG2-CG1 4.2Å; I232-I258 HydrophobicContact CG2-CG2 4.19Å; I253-I258 HydrophobicContact CG2-CD1 4.4Å; S256-I258 PolarHBondContact O-N 3.26Å; I258-L273 HydrophobicContact CD1-CB 4.07Å; I258-L273 HydrophobicContact CG2-CB 4Å; I258-D275 HydrophobicContact CD1-CB 4.09Å; I258-F281 HydrophobicContact CD1-CD2 3.9Å; I258-F281 HydrophobicContact CD1-CE2 3.94Å
259V95.2Very high93.3Very high37 Ų3747 Ų4722%0.22426%0.261CS..EExtended strand (participates in β ladder)trans-117.4-14.4-171.6-68.40000114.7M218 G274 M276 A311M218-V259 WeakPolarHBondContact CE-O 3.27Å; V259-G274 WeakPolarHBondContact CG2-O 3.01Å; V259-G274 PolarHBondContact N-O 3.04Å; V259-M276 HydrophobicContact CG1-CE 3.81Å; V259-M276 HydrophobicContact CG1-CG 3.53Å; V259-M276 HydrophobicContact CG1-SD 3.76Å; V259-A311 WeakPolarHBondContact CG2-O 3.48Å
260C96.7Very high93.4Very high8 Ų848.6 Ų48.65%0.05426%0.255CS..EExtended strand (participates in β ladder)trans-155.2160.9176.366.80000111.6L273 G274 E312 L314C260-L273 WeakPolarHBondContact O-CA 3.26Å; C260-G274 PolarHBondContact N-O 2.78Å; C260-G274 PolarHBondContact O-N 2.94Å; C260-E312 WeakPolarHBondContact CB-O 3.48Å; C260-L314 VanDerWaalsContact SG-CD1 3.53Å; C260-L314 VanDerWaalsContact SG-CG 3.56Å
261H97.4Very high93.7Very high52 Ų5247.7 Ų47.724%0.24125%0.249CC..EExtended strand (participates in β ladder)trans-14416217572.6-84.3000111.6I220 L272 L273I220-H261 HydrophobicContact CD1-CB 3.85Å; I220-H261 VanDerWaalsContact CD1-CG 3.47Å; H261-L272 CarbonylContact C-O 3.58Å; H261-L272 WeakPolarHBondContact CA-O 3.15Å; H261-L272 WeakPolarHBondContact CB-O 3.3Å; H261-L273 HydrophobicContact CB-CD2 3.68Å
262N97.7Very high94.1Very high33 Ų3342.6 Ų42.618%0.17622%0.216CC..EExtended strand (participates in β ladder)trans-149.2143.3167.3-167.7-100.6000111.5Y271 L272 L314 Y316N262-Y271 CarbonylContact O-C 3.54Å; N262-Y271 VanDerWaalsContact O-CA 3.32Å; N262-Y271 WeakPolarHBondContact O-CA 3.14Å; N262-L272 PolarHBondContact N-O 3.14Å; N262-L272 PolarHBondContact O-N 2.64Å; N262-L314 HydrophobicContact CB-CB 3.84Å; N262-L314 WeakPolarHBondContact CB-O 3.48Å; N262-L314 PolarHBondContact ND2-O 3.35Å; N262-Y316 WeakPolarHBondContact OD1-CB 3.19Å; N262-Y316 PolarHBondContact OD1-N 2.89Å
263R96.4Very high94.5Very high93 Ų9340.1 Ų40.135%0.35120%0.203SC..EExtended strand (participates in β ladder)trans-81.1125.9178.1-176.6-177.565.7176-1.6110.1D265 P266 Y271R263-D265 WeakPolarHBondContact CD-O 3.37Å; R263-D265 WeakPolarHBondContact CG-O 3.13Å; R263-P266 PolarHBondContact NH1-O 2.82Å; R263-P266 VanDerWaalsContact NH1-O 3.17Å; R263-Y271 HydrophobicContact CB-CD1 3.88Å; R263-Y271 HydrophobicContact CB-CE1 3.73Å; R263-Y271 HydrophobicContact CG-CD1 4.19Å; R263-Y271 HydrophobicContact CG-CE1 3.77Å
264V96.4Very high94.9Very high11 Ų1140.2 Ų40.27%0.06720%0.204CC..  trans-85.4-51.9178.4178.10000111.2R270 L272 M282 Y316V264-R270 HydrophobicContact CB-CB 3.95Å; V264-R270 HydrophobicContact CG1-CB 4.45Å; V264-R270 HydrophobicContact CG2-CB 4.43Å; V264-R270 PolarHBondContact N-O 2.88Å; V264-L272 HydrophobicContact CG2-CD1 3.97Å; V264-L272 HydrophobicContact CG2-CD2 4.44Å; V264-L272 HydrophobicContact CG2-CG 3.63Å; V264-M282 HydrophobicContact CG2-CE 4.25Å; V264-M282 HydrophobicContact CG2-SD 4.08Å; V264-Y316 HydrophobicContact CB-CD2 4.43Å; V264-Y316 HydrophobicContact CB-CG 4.39Å; V264-Y316 HydrophobicContact CG1-CD1 4.27Å; V264-Y316 HydrophobicContact CG1-CD2 3.84Å; V264-Y316 HydrophobicContact CG1-CE1 4.24Å; V264-Y316 HydrophobicContact CG1-CE2 3.8Å; V264-Y316 HydrophobicContact CG1-CG 4.08Å; V264-Y316 HydrophobicContact CG2-CD2 4.2Å; V264-Y316 HydrophobicContact CG2-CG 4.35Å
265D95.1Very high95.2Very high33 Ų3335.9 Ų35.918%0.17619%0.186CC..SBendtrans-97.4137.4-176.8-62.9-44.4000111.5R263 N267 G268 R270R263-D265 WeakPolarHBondContact CD-O 3.37Å; R263-D265 WeakPolarHBondContact CG-O 3.13Å; D265-N267 WeakPolarHBondContact CB-OD1 3.43Å; D265-N267 PolarHBondContact O-N 2.78Å; D265-G268 PolarHBondContact O-N 3.48Å; D265-R270 IonicContact OD1-CZ 3.46Å; D265-R270 IonicContact OD1-NE 3.73Å; D265-R270 PolarHBondContact OD1-NE 2.93Å; D265-R270 IonicContact OD1-NH2 3.25Å; D265-R270 PolarHBondContact OD1-NH2 2.63Å; D265-R270 VanDerWaalsContact OD2-CB 3.32Å; D265-R270 WeakPolarHBondContact OD2-CB 3.43Å; D265-R270 VanDerWaalsContact OD2-CG 3.28Å; D265-R270 WeakPolarHBondContact OD2-CG 3.46Å; D265-R270 IonicContact OD2-CZ 2.84Å; D265-R270 IonicContact OD2-NE 3.89Å; D265-R270 PolarHBondContact OD2-NE 2.83Å; D265-R270 IonicContact OD2-NH2 2.7Å
266P91.9Very high95.5Very high107 Ų10734.7 Ų34.770%0.69518%0.181SC*.THydrogen-bonded Turntrans-54.7-29.6176.6-28.135.1000114.5R263 G268R263-P266 PolarHBondContact NH1-O 2.82Å; R263-P266 VanDerWaalsContact NH1-O 3.17Å; P266-G268 VanDerWaalsContact C-N 3.32Å
267N92.8Very high95.7Very high70 Ų7036 Ų3637%0.37419%0.186SC..THydrogen-bonded Turntrans-84.71.8177.971.81.3000114.2P223 D265 S269P223-N267 VanDerWaalsContact CG-C 3.48Å; D265-N267 WeakPolarHBondContact CB-OD1 3.43Å; D265-N267 PolarHBondContact O-N 2.78Å; N267-S269 PolarHBondContact ND2-OG 3.24Å; N267-S269 VanDerWaalsContact ND2-OG 3.08Å; N267-S269 PolarHBondContact O-N 2.96Å; N267-S269 WeakPolarHBondContact OD1-CB 3.28Å; N267-S269 PolarHBondContact OD1-N 3.05Å; N267-S269 PolarHBondContact OD1-OG 2.61Å
268G94.7Very high95.8Very high0 Ų033.5 Ų33.50%017%0.171CC..SBendtrans7125.1178.500000114.9D265 P266 Y271 L285D265-G268 PolarHBondContact O-N 3.48Å; P266-G268 VanDerWaalsContact C-N 3.32Å; G268-Y271 WeakPolarHBondContact O-CE2 3.29Å; G268-L285 WeakPolarHBondContact O-CD2 3.17Å
269S95.5Very high95.8Very high24 Ų2434.2 Ų34.217%0.16817%0.173CC..SBendtrans-78.4-22.1177.5-56.80000113.6N267 L285N267-S269 PolarHBondContact ND2-OG 3.24Å; N267-S269 VanDerWaalsContact ND2-OG 3.08Å; N267-S269 PolarHBondContact O-N 2.96Å; N267-S269 WeakPolarHBondContact OD1-CB 3.28Å; N267-S269 PolarHBondContact OD1-N 3.05Å; N267-S269 PolarHBondContact OD1-OG 2.61Å; S269-L285 PolarHBondContact O-N 3.29Å
270R97.1Very high95.9Very high91 Ų9132.5 Ų32.534%0.34316%0.163SC..EExtended strand (participates in β ladder)trans-140.2139-177.2-68.1-176.2-62.8163.35.5111.6V264 D265 M282 L283 L284V264-R270 HydrophobicContact CB-CB 3.95Å; V264-R270 HydrophobicContact CG1-CB 4.45Å; V264-R270 HydrophobicContact CG2-CB 4.43Å; V264-R270 PolarHBondContact N-O 2.88Å; D265-R270 IonicContact OD1-CZ 3.46Å; D265-R270 IonicContact OD1-NE 3.73Å; D265-R270 PolarHBondContact OD1-NE 2.93Å; D265-R270 IonicContact OD1-NH2 3.25Å; D265-R270 PolarHBondContact OD1-NH2 2.63Å; D265-R270 VanDerWaalsContact OD2-CB 3.32Å; D265-R270 WeakPolarHBondContact OD2-CB 3.43Å; D265-R270 VanDerWaalsContact OD2-CG 3.28Å; D265-R270 WeakPolarHBondContact OD2-CG 3.46Å; D265-R270 IonicContact OD2-CZ 2.84Å; D265-R270 IonicContact OD2-NE 3.89Å; D265-R270 PolarHBondContact OD2-NE 2.83Å; D265-R270 IonicContact OD2-NH2 2.7Å; R270-M282 HydrophobicContact CB-SD 3.82Å; R270-M282 HydrophobicContact CG-SD 4.34Å; R270-L283 CarbonylContact C-O 3.53Å; R270-L283 WeakPolarHBondContact CA-O 3.33Å; R270-L284 HydrophobicContact CG-CD2 4.47Å
271Y98.3Very high95.9Very high2 Ų232.1 Ų32.11%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-134139.7176.7-62.6-95.7000110.2I220 P223 I230 N262 R263 G268 M282 L283 L285I220-Y271 HydrophobicContact CG2-CD1 3.99Å; I220-Y271 HydrophobicContact CG2-CE1 3.52Å; P223-Y271 WeakPolarHBondContact CD-OH 3.14Å; I230-Y271 HydrophobicContact CD1-CD2 4.09Å; I230-Y271 HydrophobicContact CD1-CE2 3.73Å; N262-Y271 CarbonylContact O-C 3.54Å; N262-Y271 VanDerWaalsContact O-CA 3.32Å; N262-Y271 WeakPolarHBondContact O-CA 3.14Å; R263-Y271 HydrophobicContact CB-CD1 3.88Å; R263-Y271 HydrophobicContact CB-CE1 3.73Å; R263-Y271 HydrophobicContact CG-CD1 4.19Å; R263-Y271 HydrophobicContact CG-CE1 3.77Å; G268-Y271 WeakPolarHBondContact O-CE2 3.29Å; Y271-M282 CarbonylContact O-C 3.58Å; Y271-M282 WeakPolarHBondContact O-CA 3.47Å; Y271-L283 PolarHBondContact N-O 2.82Å; Y271-L283 PolarHBondContact O-N 3.21Å; Y271-L285 HydrophobicContact CD2-CD1 4.08Å; Y271-L285 HydrophobicContact CE2-CD1 4.09Å; Y271-L285 HydrophobicContact CE2-CD2 4.29Å
272L98.3Very high95.9Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-86.8139.8166.8-67.4166.6000109.3H261 N262 V264 L280 F281 M282 L305 L314 Y316 V322 L336H261-L272 CarbonylContact C-O 3.58Å; H261-L272 WeakPolarHBondContact CA-O 3.15Å; H261-L272 WeakPolarHBondContact CB-O 3.3Å; N262-L272 PolarHBondContact N-O 3.14Å; N262-L272 PolarHBondContact O-N 2.64Å; V264-L272 HydrophobicContact CG2-CD1 3.97Å; V264-L272 HydrophobicContact CG2-CD2 4.44Å; V264-L272 HydrophobicContact CG2-CG 3.63Å; L272-L280 HydrophobicContact CB-CD1 4.37Å; L272-L280 HydrophobicContact CD2-CD1 4.34Å; L272-L280 HydrophobicContact CD2-CD2 4.31Å; L272-L280 HydrophobicContact CD2-CG 4.28Å; L272-F281 CarbonylContact C-O 3.55Å; L272-F281 VanDerWaalsContact CA-O 3.32Å; L272-F281 WeakPolarHBondContact CA-O 3.31Å; L272-M282 HydrophobicContact CD2-CE 3.63Å; L272-M282 HydrophobicContact CD2-SD 4.12Å; L272-M282 HydrophobicContact CG-CE 4.42Å; L272-L305 HydrophobicContact CD2-CD1 3.68Å; L272-L314 HydrophobicContact CB-CD1 4.22Å; L272-Y316 HydrophobicContact CD1-CD2 4.5Å; L272-V322 HydrophobicContact CD1-CB 4.33Å; L272-V322 HydrophobicContact CD1-CG1 3.81Å; L272-V322 HydrophobicContact CD1-CG2 3.49Å; L272-V322 VanDerWaalsContact CD1-CG2 3.49Å; L272-L336 HydrophobicContact CD2-CD1 4Å
273L98.2Very high96Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-126.2136173.2-48.7176.3000109.1I220 I232 I237 I258 C260 H261 F281 L283I220-L273 HydrophobicContact CD1-CD2 4.42Å; I232-L273 HydrophobicContact CD1-CD1 4.22Å; I232-L273 HydrophobicContact CD1-CD2 3.54Å; I237-L273 HydrophobicContact CD1-CD1 3.83Å; I258-L273 HydrophobicContact CD1-CB 4.07Å; I258-L273 HydrophobicContact CG2-CB 4Å; C260-L273 WeakPolarHBondContact O-CA 3.26Å; H261-L273 HydrophobicContact CB-CD2 3.68Å; L273-F281 HydrophobicContact CB-CB 4.23Å; L273-F281 PolarHBondContact N-O 3.43Å; L273-F281 PolarHBondContact O-N 3.14Å; L273-L283 HydrophobicContact CD1-CB 4Å; L273-L283 HydrophobicContact CG-CB 4.29Å
274G97.5Very high96Very high2 Ų226.3 Ų26.32%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-118.7139.8174.600000111.1V259 C260 R279V259-G274 WeakPolarHBondContact CG2-O 3.01Å; V259-G274 PolarHBondContact N-O 3.04Å; C260-G274 PolarHBondContact N-O 2.78Å; C260-G274 PolarHBondContact O-N 2.94Å; G274-R279 WeakPolarHBondContact CA-O 3.45Å
275D95.6Very high96Very high1 Ų126.1 Ų26.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-111.1174177.476.23.9000113.7S256 T257 I258 E277 G278 R279 F281S256-D275 WeakPolarHBondContact CB-OD2 3.41Å; T257-D275 VanDerWaalsContact O-CA 3.3Å; T257-D275 WeakPolarHBondContact O-CA 3.47Å; T257-D275 VanDerWaalsContact O-CB 3.31Å; T257-D275 WeakPolarHBondContact O-CB 3.24Å; I258-D275 HydrophobicContact CD1-CB 4.09Å; D275-E277 PolarHBondContact O-N 2.88Å; D275-E277 WeakPolarHBondContact OD1-CA 3.36Å; D275-E277 PolarHBondContact OD1-N 2.92Å; D275-G278 PolarHBondContact O-N 2.99Å; D275-G278 VanDerWaalsContact O-N 3.09Å; D275-G278 PolarHBondContact OD1-N 2.85Å; D275-R279 PolarHBondContact N-O 2.83Å; D275-R279 WeakPolarHBondContact OD1-CB 3.49Å; D275-R279 PolarHBondContact OD1-N 2.87Å; D275-R279 IonicContact OD1-NE 3.24Å; D275-R279 IonicContact OD2-CZ 3.86Å; D275-R279 IonicContact OD2-NE 3.11Å; D275-R279 PolarHBondContact OD2-NE 3.45Å; D275-R279 IonicContact OD2-NH2 3.94Å; D275-R279 PolarHBondContact OD2-NH2 2.97Å; D275-F281 HydrophobicContact CB-CE2 4.2Å
276M92.7Very high96Very high95 Ų9527.9 Ų27.947%0.46814%0.143SC..THydrogen-bonded Turntrans-66.2-17.2177.6-77.1-61.4-157.300115S256 T257 V259 G278 I310S256-M276 PolarHBondContact OG-N 3.27Å; T257-M276 PolarHBondContact O-N 3.43Å; V259-M276 HydrophobicContact CG1-CE 3.81Å; V259-M276 HydrophobicContact CG1-CG 3.53Å; V259-M276 HydrophobicContact CG1-SD 3.76Å; M276-G278 VanDerWaalsContact C-N 3.27Å; M276-I310 WeakPolarHBondContact O-CD1 3.39Å; M276-I310 WeakPolarHBondContact O-CG1 3.5Å; M276-I310 WeakPolarHBondContact O-CG2 3.36Å; M276-I310 HydrophobicContact SD-CG2 4.4Å
277E92.6Very high95.9Very high40 Ų4028.6 Ų28.619%0.18714%0.135CC..THydrogen-bonded Turntrans-87.1-0.6173.2-70.4-173131.200112.3S256 D275 R279 K383S256-E277 PolarHBondContact OG-N 2.84Å; D275-E277 PolarHBondContact O-N 2.88Å; D275-E277 WeakPolarHBondContact OD1-CA 3.36Å; D275-E277 PolarHBondContact OD1-N 2.92Å; E277-R279 IonicContact OE2-CZ 2.88Å; E277-R279 IonicContact OE2-NE 3.58Å; E277-R279 PolarHBondContact OE2-NE 2.74Å; E277-R279 IonicContact OE2-NH1 2.87Å; E277-R279 PolarHBondContact OE2-NH1 2.82Å; E277-R279 IonicContact OE2-NH2 3.12Å; E277-R279 PolarHBondContact OE2-NH2 2.88Å; E277-K383 WeakPolarHBondContact O-CE 3.41Å; E277-K383 PolarHBondContact O-NZ 3.48Å
278G95Very high95.8Very high1 Ų129.8 Ų29.81%0.0114%0.139CC..  trans71.828.7-177.400000113D275 M276 E307 T308 K383D275-G278 PolarHBondContact O-N 2.99Å; D275-G278 VanDerWaalsContact O-N 3.09Å; D275-G278 PolarHBondContact OD1-N 2.85Å; M276-G278 VanDerWaalsContact C-N 3.27Å; G278-E307 CarbonylContact O-C 3.56Å; G278-E307 VanDerWaalsContact O-CA 3.32Å; G278-E307 WeakPolarHBondContact O-CA 3.2Å; G278-T308 PolarHBondContact O-N 2.72Å; G278-T308 VanDerWaalsContact O-O 3.1Å; G278-K383 PolarHBondContact O-NZ 3.18Å
279R96.2Very high95.4Very high19 Ų1935.9 Ų35.97%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-84.5139.8168.9-64.5179.5-65.1-158.7-10.5109.8G274 D275 E277 F281 L304 G306 E307G274-R279 WeakPolarHBondContact CA-O 3.45Å; D275-R279 PolarHBondContact N-O 2.83Å; D275-R279 WeakPolarHBondContact OD1-CB 3.49Å; D275-R279 PolarHBondContact OD1-N 2.87Å; D275-R279 IonicContact OD1-NE 3.24Å; D275-R279 IonicContact OD2-CZ 3.86Å; D275-R279 IonicContact OD2-NE 3.11Å; D275-R279 PolarHBondContact OD2-NE 3.45Å; D275-R279 IonicContact OD2-NH2 3.94Å; D275-R279 PolarHBondContact OD2-NH2 2.97Å; E277-R279 IonicContact OE2-CZ 2.88Å; E277-R279 IonicContact OE2-NE 3.58Å; E277-R279 PolarHBondContact OE2-NE 2.74Å; E277-R279 IonicContact OE2-NH1 2.87Å; E277-R279 PolarHBondContact OE2-NH1 2.82Å; E277-R279 IonicContact OE2-NH2 3.12Å; E277-R279 PolarHBondContact OE2-NH2 2.88Å; R279-F281 HydrophobicContact CB-CD2 4.49Å; R279-F281 HydrophobicContact CB-CE2 3.65Å; R279-F281 HydrophobicContact CB-CZ 3.75Å; R279-L304 HydrophobicContact CB-CD1 3.85Å; R279-L304 HydrophobicContact CG-CD1 4.26Å; R279-G306 WeakPolarHBondContact CA-O 3.49Å; R279-E307 HydrophobicContact CG-CG 4.14Å
280L97.8Very high94.9Very high1 Ų139 Ų391%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-108.6126.2177-170.669.8000109.5L272 L305 G306 T308 L314 L336 V347L272-L280 HydrophobicContact CB-CD1 4.37Å; L272-L280 HydrophobicContact CD2-CD1 4.34Å; L272-L280 HydrophobicContact CD2-CD2 4.31Å; L272-L280 HydrophobicContact CD2-CG 4.28Å; L280-L305 HydrophobicContact CD2-CD1 4.11Å; L280-L305 HydrophobicContact CG-CD1 4.2Å; L280-L305 WeakPolarHBondContact O-CB 3.3Å; L280-L305 PolarHBondContact O-N 3.48Å; L280-G306 PolarHBondContact N-O 2.79Å; L280-G306 PolarHBondContact O-N 2.91Å; L280-T308 HydrophobicContact CB-CG2 4.37Å; L280-T308 HydrophobicContact CD2-CG2 4.33Å; L280-L314 HydrophobicContact CD1-CD1 3.79Å; L280-L314 HydrophobicContact CD1-CD2 4.05Å; L280-L336 HydrophobicContact CD2-CD2 3.89Å; L280-V347 HydrophobicContact CD2-CG2 4.05Å
281F97.8Very high94.3Very high0 Ų044.7 Ų44.70%021%0.212CC..EExtended strand (participates in β ladder)trans-116.9152.7178.8-51.9-94.5000111.2I252 I258 L272 L273 D275 R279 V302 E303 L304I252-F281 HydrophobicContact CB-CE1 4.47Å; I252-F281 HydrophobicContact CD1-CE1 4.02Å; I252-F281 HydrophobicContact CG1-CE1 3.98Å; I252-F281 HydrophobicContact CG1-CZ 4.44Å; I252-F281 HydrophobicContact CG2-CD1 4.37Å; I252-F281 HydrophobicContact CG2-CE1 3.75Å; I258-F281 HydrophobicContact CD1-CD2 3.9Å; I258-F281 HydrophobicContact CD1-CE2 3.94Å; L272-F281 CarbonylContact C-O 3.55Å; L272-F281 VanDerWaalsContact CA-O 3.32Å; L272-F281 WeakPolarHBondContact CA-O 3.31Å; L273-F281 HydrophobicContact CB-CB 4.23Å; L273-F281 PolarHBondContact N-O 3.43Å; L273-F281 PolarHBondContact O-N 3.14Å; D275-F281 HydrophobicContact CB-CE2 4.2Å; R279-F281 HydrophobicContact CB-CD2 4.49Å; R279-F281 HydrophobicContact CB-CE2 3.65Å; R279-F281 HydrophobicContact CB-CZ 3.75Å; F281-V302 HydrophobicContact CB-CG1 4.04Å; F281-V302 HydrophobicContact CD1-CG1 3.97Å; F281-V302 HydrophobicContact CG-CG1 4.31Å; F281-E303 CarbonylContact C-O 3.47Å; F281-E303 WeakPolarHBondContact CA-O 3.28Å; F281-L304 HydrophobicContact CD1-CB 4.14Å; F281-L304 HydrophobicContact CD1-CD1 3.93Å; F281-L304 HydrophobicContact CE1-CB 4.22Å; F281-L304 HydrophobicContact CE1-CD1 3.66Å; F281-L304 HydrophobicContact CZ-CD1 4.1Å
282M97.6Very high93.8Very high14 Ų1450 Ų507%0.06924%0.241CC..EExtended strand (participates in β ladder)trans-106.3120164.8-170.768.770.900109.2V264 R270 Y271 L272 L284 V302 E303 L305 L336V264-M282 HydrophobicContact CG2-CE 4.25Å; V264-M282 HydrophobicContact CG2-SD 4.08Å; R270-M282 HydrophobicContact CB-SD 3.82Å; R270-M282 HydrophobicContact CG-SD 4.34Å; Y271-M282 CarbonylContact O-C 3.58Å; Y271-M282 WeakPolarHBondContact O-CA 3.47Å; L272-M282 HydrophobicContact CD2-CE 3.63Å; L272-M282 HydrophobicContact CD2-SD 4.12Å; L272-M282 HydrophobicContact CG-CE 4.42Å; M282-L284 HydrophobicContact CB-CD1 4.42Å; M282-L284 HydrophobicContact CG-CD1 4.06Å; M282-L284 HydrophobicContact CG-CG 4.04Å; M282-V302 WeakPolarHBondContact O-CA 3.33Å; M282-E303 PolarHBondContact N-O 3.05Å; M282-E303 PolarHBondContact O-N 2.99Å; M282-L305 HydrophobicContact CB-CD1 4.09Å; M282-L305 HydrophobicContact CB-CD2 3.97Å; M282-L305 HydrophobicContact CB-CG 4.11Å; M282-L305 HydrophobicContact CE-CD1 4.04Å; M282-L336 HydrophobicContact CE-CD1 4.19Å
283L98Very high93.1Very high0 Ų052.8 Ų52.80%027%0.269CS..EExtended strand (participates in β ladder)trans-93.1119.7166.3172.866.6000108.9I230 I237 I248 R270 Y271 L273 L285 L300 R301 V302I230-L283 HydrophobicContact CD1-CD2 4.03Å; I230-L283 HydrophobicContact CG2-CD2 4.19Å; I237-L283 HydrophobicContact CD1-CD1 4.42Å; I237-L283 HydrophobicContact CG2-CD1 4.4Å; I237-L283 HydrophobicContact CG2-CD2 4.09Å; I248-L283 HydrophobicContact CD1-CD1 4.45Å; R270-L283 CarbonylContact C-O 3.53Å; R270-L283 WeakPolarHBondContact CA-O 3.33Å; Y271-L283 PolarHBondContact N-O 2.82Å; Y271-L283 PolarHBondContact O-N 3.21Å; L273-L283 HydrophobicContact CD1-CB 4Å; L273-L283 HydrophobicContact CG-CB 4.29Å; L283-L285 HydrophobicContact CD2-CD1 4.26Å; L283-L285 HydrophobicContact CG-CD1 4.01Å; L283-L300 HydrophobicContact CD1-CB 4.42Å; L283-L300 HydrophobicContact CD1-CD2 4.39Å; L283-R301 CarbonylContact C-O 3.54Å; L283-R301 WeakPolarHBondContact CA-O 3.45Å; L283-V302 HydrophobicContact CD1-CG2 3.73Å
284L97.2Very high92.4Very high41 Ų4155.8 Ų55.822%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-105.8133.7178.1-54.799.5000110.5R270 M282 L300 R301 E303R270-L284 HydrophobicContact CG-CD2 4.47Å; M282-L284 HydrophobicContact CB-CD1 4.42Å; M282-L284 HydrophobicContact CG-CD1 4.06Å; M282-L284 HydrophobicContact CG-CG 4.04Å; L284-L300 WeakPolarHBondContact O-CA 3.21Å; L284-R301 HydrophobicContact CB-CB 4.38Å; L284-R301 HydrophobicContact CD1-CB 4.36Å; L284-R301 HydrophobicContact CD1-CG 4.47Å; L284-R301 PolarHBondContact N-O 2.9Å; L284-R301 PolarHBondContact O-N 3.05Å; L284-E303 HydrophobicContact CD1-CB 4.46Å; L284-E303 HydrophobicContact CD1-CG 3.91Å
285L96.9Very high92Very high7 Ų757.6 Ų57.64%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-102.6100.7173.5-91.268.1000108.3V222 F226 I230 G268 S269 Y271 L283 K287 L297 L300V222-L285 HydrophobicContact CG1-CD2 3.99Å; F226-L285 HydrophobicContact CD2-CD2 4.04Å; F226-L285 HydrophobicContact CE2-CB 4.05Å; F226-L285 HydrophobicContact CE2-CD2 4.34Å; F226-L285 HydrophobicContact CZ-CB 4.39Å; I230-L285 HydrophobicContact CD1-CD1 3.87Å; I230-L285 HydrophobicContact CD1-CD2 4.11Å; G268-L285 WeakPolarHBondContact O-CD2 3.17Å; S269-L285 PolarHBondContact O-N 3.29Å; Y271-L285 HydrophobicContact CD2-CD1 4.08Å; Y271-L285 HydrophobicContact CE2-CD1 4.09Å; Y271-L285 HydrophobicContact CE2-CD2 4.29Å; L283-L285 HydrophobicContact CD2-CD1 4.26Å; L283-L285 HydrophobicContact CG-CD1 4.01Å; L285-K287 PolarHBondContact O-N 3.23Å; L285-L297 HydrophobicContact CB-CD1 3.4Å; L285-L297 HydrophobicContact CD2-CD1 4.01Å; L285-L297 HydrophobicContact CD2-CD2 4.32Å; L285-L297 HydrophobicContact CG-CD1 3.53Å; L285-L297 HydrophobicContact CG-CD2 4.22Å; L285-L300 HydrophobicContact CD1-CD2 3.58Å; L285-L300 HydrophobicContact CG-CD2 3.67Å
286E94.1Very high91.7Very high70 Ų7059.1 Ų59.133%0.32731%0.308SS..EExtended strand (participates in β ladder)trans-74.7122.3-178.1-66-167.1175.800110.5L297 K298 D299E286-L297 WeakPolarHBondContact O-CD1 3.43Å; E286-K298 HydrophobicContact CB-CB 4.35Å; E286-K298 WeakPolarHBondContact O-CA 3.41Å; E286-K298 VanDerWaalsContact O-CB 3.28Å; E286-K298 WeakPolarHBondContact O-CB 3.47Å; E286-K298 PolarHBondContact O-N 3.1Å; E286-D299 HydrophobicContact CB-CB 4.45Å; E286-D299 PolarHBondContact N-O 2.97Å
287K90.7Very high91.7Very high122 Ų12254.7 Ų54.753%0.5329%0.286SS..EExtended strand (participates in β ladder)trans-84.5146.8177.464.5170-174.91580113.1F226 L285 E289 V295F226-K287 HydrophobicContact CE1-CB 3.85Å; F226-K287 HydrophobicContact CZ-CB 3.88Å; L285-K287 PolarHBondContact O-N 3.23Å; K287-E289 IonicContact NZ-OE1 3.39Å; K287-E289 PolarHBondContact NZ-OE1 3.17Å; K287-V295 HydrophobicContact CB-CG1 3.83Å; K287-V295 HydrophobicContact CD-CG1 4.3Å
288E89.3Confident91.7Very high95 Ų9558 Ų5844%0.44430%0.3SS..EExtended strand (participates in β ladder)trans-124.9122164.7174.3172.2-145.300108.8T296 K298E288-T296 PolarHBondContact N-O 2.89Å; E288-T296 PolarHBondContact O-N 3.49Å; E288-T296 PolarHBondContact O-OG1 2.93Å; E288-K298 HydrophobicContact CB-CB 3.81Å; E288-K298 HydrophobicContact CB-CD 4.43Å; E288-K298 HydrophobicContact CB-CG 4.2Å
289E87.4Confident91.7Very high128 Ų12861.5 Ų61.560%0.59832%0.318SS*.EExtended strand (participates in β ladder)trans-86.7117.2173.9-80.3169.9-15300109.2K287 V295K287-E289 IonicContact NZ-OE1 3.39Å; K287-E289 PolarHBondContact NZ-OE1 3.17Å; E289-V295 HydrophobicContact CG-CG2 3.95Å
290Q84.9Confident91.7Very high91 Ų9160.9 Ų60.943%0.42532%0.316SS..  trans-76.9164177.2-60.4-165.218.200111.2D292 G293 T294 T296Q290-D292 WeakPolarHBondContact CB-OD1 3.4Å; Q290-D292 PolarHBondContact O-N 2.61Å; Q290-D292 VanDerWaalsContact O-N 3.11Å; Q290-G293 PolarHBondContact O-N 2.66Å; Q290-T294 PolarHBondContact N-O 2.66Å; Q290-T296 HydrophobicContact CG-CG2 4.49Å; Q290-T296 VanDerWaalsContact NE2-CG2 3.25Å; Q290-T296 PolarHBondContact NE2-OG1 2.98Å
291M84.7Confident91.6Very high210 Ų21066.8 Ų66.8100%1.03434%0.338SS*.THydrogen-bonded Turntrans-60.2-23.2-178.6-66.7-174-18000113.9G293M291-G293 VanDerWaalsContact C-N 3.31Å
292D86.6Confident91.6Very high113 Ų11368 Ų6860%0.60435%0.346SS*.THydrogen-bonded Turntrans-860.6176.766.9-3.4000113.6Q290 T294Q290-D292 WeakPolarHBondContact CB-OD1 3.4Å; Q290-D292 PolarHBondContact O-N 2.61Å; Q290-D292 VanDerWaalsContact O-N 3.11Å; D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.45Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.14Å; D292-T294 PolarHBondContact OD1-N 3.08Å; D292-T294 PolarHBondContact OD1-OG1 2.9Å; D292-T294 WeakPolarHBondContact OD2-CG2 2.85Å; D292-T294 PolarHBondContact OD2-OG1 2.81Å
293G83.8Confident91.5Very high58 Ų5870.4 Ų70.460%0.59836%0.357SS*.SBendtrans85.30.4-177.500000114.4Q290 M291Q290-G293 PolarHBondContact O-N 2.66Å; M291-G293 VanDerWaalsContact C-N 3.31Å
294T85.2Confident91.4Very high63 Ų6373.8 Ų73.839%0.38738%0.375SS..  trans-72.8135.5174.962.10000110.7Q290 D292Q290-T294 PolarHBondContact N-O 2.66Å; D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.45Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.14Å; D292-T294 PolarHBondContact OD1-N 3.08Å; D292-T294 PolarHBondContact OD1-OG1 2.9Å; D292-T294 WeakPolarHBondContact OD2-CG2 2.85Å; D292-T294 PolarHBondContact OD2-OG1 2.81Å
295V87.5Confident91.4Very high40 Ų4072.6 Ų72.624%0.24237%0.368CS..EExtended strand (participates in β ladder)trans-94.9123.7176.5-1790000108P225 F226 K287 E289P225-V295 HydrophobicContact CB-CB 4.07Å; P225-V295 HydrophobicContact CB-CG1 4.41Å; P225-V295 HydrophobicContact CG-CB 4.07Å; P225-V295 HydrophobicContact CG-CG1 3.88Å; F226-V295 HydrophobicContact CD1-CG1 4.45Å; F226-V295 HydrophobicContact CE1-CG1 3.93Å; K287-V295 HydrophobicContact CB-CG1 3.83Å; K287-V295 HydrophobicContact CD-CG1 4.3Å; E289-V295 HydrophobicContact CG-CG2 3.95Å
296T89.8Confident91.4Very high34 Ų3472.7 Ų72.721%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-123.4151.8175.358.30000110.7E288 Q290 K298E288-T296 PolarHBondContact N-O 2.89Å; E288-T296 PolarHBondContact O-N 3.49Å; E288-T296 PolarHBondContact O-OG1 2.93Å; Q290-T296 HydrophobicContact CG-CG2 4.49Å; Q290-T296 VanDerWaalsContact NE2-CG2 3.25Å; Q290-T296 PolarHBondContact NE2-OG1 2.98Å; T296-K298 PolarHBondContact O-N 3.12Å
297L92.7Very high91.4Very high2 Ų274.2 Ų74.21%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-71.4118.9175.9-178.968.9000109.2F226 Y239 K244 L246 L285 E286 L300F226-L297 HydrophobicContact CD1-CB 3.93Å; F226-L297 HydrophobicContact CD1-CD1 4.46Å; F226-L297 HydrophobicContact CE1-CB 4.28Å; F226-L297 HydrophobicContact CE1-CD1 4.25Å; F226-L297 HydrophobicContact CZ-CD1 4.43Å; Y239-L297 HydrophobicContact CD1-CB 4.49Å; Y239-L297 HydrophobicContact CD1-CD2 3.36Å; Y239-L297 HydrophobicContact CD1-CG 4.5Å; Y239-L297 HydrophobicContact CD2-CD2 3.72Å; Y239-L297 HydrophobicContact CE1-CB 4.07Å; Y239-L297 HydrophobicContact CE1-CD2 3.73Å; Y239-L297 HydrophobicContact CE2-CD2 4.08Å; Y239-L297 HydrophobicContact CG-CD2 3.31Å; K244-L297 WeakPolarHBondContact CD-O 3.47Å; K244-L297 WeakPolarHBondContact CE-O 3.25Å; K244-L297 PolarHBondContact NZ-O 2.91Å; L246-L297 HydrophobicContact CD1-CD2 3.91Å; L246-L297 HydrophobicContact CD1-CG 3.98Å; L285-L297 HydrophobicContact CB-CD1 3.4Å; L285-L297 HydrophobicContact CD2-CD1 4.01Å; L285-L297 HydrophobicContact CD2-CD2 4.32Å; L285-L297 HydrophobicContact CG-CD1 3.53Å; L285-L297 HydrophobicContact CG-CD2 4.22Å; E286-L297 WeakPolarHBondContact O-CD1 3.43Å; L297-L300 HydrophobicContact CD2-CD2 3.82Å; L297-L300 HydrophobicContact CD2-CG 4.32Å
298K93.2Very high91.7Very high109 Ų10968.9 Ų68.947%0.47436%0.356SS..EExtended strand (participates in β ladder)trans-78.3-54.2178.2-171.5-172.1168.7-158.70112E286 E288 T296E286-K298 HydrophobicContact CB-CB 4.35Å; E286-K298 WeakPolarHBondContact O-CA 3.41Å; E286-K298 VanDerWaalsContact O-CB 3.28Å; E286-K298 WeakPolarHBondContact O-CB 3.47Å; E286-K298 PolarHBondContact O-N 3.1Å; E288-K298 HydrophobicContact CB-CB 3.81Å; E288-K298 HydrophobicContact CB-CD 4.43Å; E288-K298 HydrophobicContact CB-CG 4.2Å; T296-K298 PolarHBondContact O-N 3.12Å
299D94.8Very high92.1Very high74 Ų7464.4 Ų64.440%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-155165.6-172.1-156.43.8000111.6E286E286-D299 HydrophobicContact CB-CB 4.45Å; E286-D299 PolarHBondContact N-O 2.97Å
300L96.9Very high92.5Very high6 Ų658.6 Ų58.63%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-113.5137.9173.6-64.5173.9000109.7I237 I248 L283 L284 L285 L297I237-L300 HydrophobicContact CG2-CD1 4.37Å; I248-L300 HydrophobicContact CD1-CB 3.57Å; I248-L300 HydrophobicContact CG1-CB 3.95Å; I248-L300 HydrophobicContact CG1-CD1 4.21Å; I248-L300 HydrophobicContact CG2-CB 4Å; L283-L300 HydrophobicContact CD1-CB 4.42Å; L283-L300 HydrophobicContact CD1-CD2 4.39Å; L284-L300 WeakPolarHBondContact O-CA 3.21Å; L285-L300 HydrophobicContact CD1-CD2 3.58Å; L285-L300 HydrophobicContact CG-CD2 3.67Å; L297-L300 HydrophobicContact CD2-CD2 3.82Å; L297-L300 HydrophobicContact CD2-CG 4.32Å
301R95.7Very high93.1Very high125 Ų12554.4 Ų54.447%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-134.4135.3176.5-172.2175.1179.6-137.6-12.8110.9L283 L284 E303L283-R301 CarbonylContact C-O 3.54Å; L283-R301 WeakPolarHBondContact CA-O 3.45Å; L284-R301 HydrophobicContact CB-CB 4.38Å; L284-R301 HydrophobicContact CD1-CB 4.36Å; L284-R301 HydrophobicContact CD1-CG 4.47Å; L284-R301 PolarHBondContact N-O 2.9Å; L284-R301 PolarHBondContact O-N 3.05Å; R301-E303 IonicContact CZ-OE1 2.66Å; R301-E303 IonicContact NE-OE1 3.21Å; R301-E303 IonicContact NH1-OE1 2.8Å; R301-E303 PolarHBondContact NH1-OE1 3.48Å; R301-E303 IonicContact NH2-OE1 3.63Å; R301-E303 PolarHBondContact NH2-OE1 3.38Å
302V96.5Very high93.7Very high26 Ų2648.5 Ų48.516%0.15826%0.259CS..EExtended strand (participates in β ladder)trans-113.2129.6174.9178.10000109.2I237 I248 P250 I253 F281 M282 L283I237-V302 HydrophobicContact CD1-CG2 3.75Å; I248-V302 HydrophobicContact CD1-CG2 3.78Å; P250-V302 HydrophobicContact CB-CB 4.46Å; P250-V302 HydrophobicContact CG-CB 3.97Å; P250-V302 HydrophobicContact CG-CG2 3.87Å; I253-V302 HydrophobicContact CG2-CG1 4.36Å; F281-V302 HydrophobicContact CB-CG1 4.04Å; F281-V302 HydrophobicContact CD1-CG1 3.97Å; F281-V302 HydrophobicContact CG-CG1 4.31Å; M282-V302 WeakPolarHBondContact O-CA 3.33Å; L283-V302 HydrophobicContact CD1-CG2 3.73Å
303E95.4Very high94.3Very high64 Ų6443.9 Ų43.930%0.29924%0.235SC..EExtended strand (participates in β ladder)trans-121.2133.8175.1-64.9-175.6148.900109.8F281 M282 L284 R301F281-E303 CarbonylContact C-O 3.47Å; F281-E303 WeakPolarHBondContact CA-O 3.28Å; M282-E303 PolarHBondContact N-O 3.05Å; M282-E303 PolarHBondContact O-N 2.99Å; L284-E303 HydrophobicContact CD1-CB 4.46Å; L284-E303 HydrophobicContact CD1-CG 3.91Å; R301-E303 IonicContact CZ-OE1 2.66Å; R301-E303 IonicContact NE-OE1 3.21Å; R301-E303 IonicContact NH1-OE1 2.8Å; R301-E303 PolarHBondContact NH1-OE1 3.48Å; R301-E303 IonicContact NH2-OE1 3.63Å; R301-E303 PolarHBondContact NH2-OE1 3.38Å
304L96.2Very high94.9Very high72 Ų7241.3 Ų41.338%0.37721%0.207SC..EExtended strand (participates in β ladder)trans-77124.8169.4176.267.5000108.9I252 R279 F281I252-L304 HydrophobicContact CD1-CB 4.03Å; I252-L304 HydrophobicContact CD1-CD2 3.77Å; I252-L304 HydrophobicContact CD1-CG 4.33Å; R279-L304 HydrophobicContact CB-CD1 3.85Å; R279-L304 HydrophobicContact CG-CD1 4.26Å; F281-L304 HydrophobicContact CD1-CB 4.14Å; F281-L304 HydrophobicContact CD1-CD1 3.93Å; F281-L304 HydrophobicContact CE1-CB 4.22Å; F281-L304 HydrophobicContact CE1-CD1 3.66Å; F281-L304 HydrophobicContact CZ-CD1 4.1Å
305L97.1Very high95.5Very high15 Ų1538.3 Ų38.38%0.07919%0.189CC..EExtended strand (participates in β ladder)trans-90.8-37.9176.8-58.4180000111.7L272 L280 M282 L336 S345 Y346 V347L272-L305 HydrophobicContact CD2-CD1 3.68Å; L280-L305 HydrophobicContact CD2-CD1 4.11Å; L280-L305 HydrophobicContact CG-CD1 4.2Å; L280-L305 WeakPolarHBondContact O-CB 3.3Å; L280-L305 PolarHBondContact O-N 3.48Å; M282-L305 HydrophobicContact CB-CD1 4.09Å; M282-L305 HydrophobicContact CB-CD2 3.97Å; M282-L305 HydrophobicContact CB-CG 4.11Å; M282-L305 HydrophobicContact CE-CD1 4.04Å; L305-L336 HydrophobicContact CD1-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD2 4Å; L305-S345 CarbonylContact O-C 3.44Å; L305-Y346 WeakPolarHBondContact O-CD2 3.31Å; L305-Y346 PolarHBondContact O-N 3.48Å; L305-V347 HydrophobicContact CB-CG2 3.85Å
306G96.5Very high95.9Very high9 Ų938.3 Ų38.39%0.09319%0.185CC..EExtended strand (participates in β ladder)trans157.7-164.3-177.300000112R279 L280R279-G306 WeakPolarHBondContact CA-O 3.49Å; L280-G306 PolarHBondContact N-O 2.79Å; L280-G306 PolarHBondContact O-N 2.91Å
307E95.1Very high96.2Very high103 Ų10337.2 Ų37.248%0.48118%0.178SC..EExtended strand (participates in β ladder)trans-109.2141.5174.8-72-169.7-151.300111.5G278 R279 K383 R753G278-E307 CarbonylContact O-C 3.56Å; G278-E307 VanDerWaalsContact O-CA 3.32Å; G278-E307 WeakPolarHBondContact O-CA 3.2Å; R279-E307 HydrophobicContact CG-CG 4.14Å; E307-K383 IonicContact OE2-NZ 3.53Å; E307-K383 PolarHBondContact OE2-NZ 2.88Å; E307-R753 IonicContact OE2-NH1 2.98Å; E307-R753 PolarHBondContact OE2-NH1 2.84Å; E307-R753 IonicContact OE2-NH2 3.63Å
308T97Very high96.2Very high9 Ų941 Ų416%0.05520%0.198CC..  trans-126.7-174.2170.560.50000109G278 L280 V324 V334 V347 K383G278-T308 PolarHBondContact O-N 2.72Å; G278-T308 VanDerWaalsContact O-O 3.1Å; L280-T308 HydrophobicContact CB-CG2 4.37Å; L280-T308 HydrophobicContact CD2-CG2 4.33Å; T308-V324 HydrophobicContact CG2-CG2 4.21Å; T308-V334 HydrophobicContact CG2-CG1 4.12Å; T308-V334 HydrophobicContact CG2-CG2 4.46Å; T308-V347 HydrophobicContact CG2-CG1 3.79Å; T308-K383 WeakPolarHBondContact O-CE 3.3Å; T308-K383 PolarHBondContact O-NZ 3.01Å
309S96.6Very high96.2Very high2 Ų241.9 Ų41.91%0.01421%0.208CC..SBendtrans-54.5152.1160.2-54.10000111.4A311 D330 Q332 E384S309-A311 PolarHBondContact O-N 3.26Å; S309-D330 WeakPolarHBondContact CB-O 3.25Å; S309-D330 PolarHBondContact OG-O 3.41Å; S309-Q332 WeakPolarHBondContact OG-CG 3.17Å; S309-Q332 PolarHBondContact OG-NE2 2.94Å; S309-Q332 PolarHBondContact OG-OE1 2.69Å; S309-E384 VanDerWaalsContact CA-OE1 3.22Å; S309-E384 WeakPolarHBondContact CA-OE1 3.49Å
310I97.5Very high96.1Very high5 Ų539 Ų393%0.02620%0.196CC..  trans-59.7112.7173.2-57.4173.3000109.1M276 S326 L328 F382 K383 E384M276-I310 WeakPolarHBondContact O-CD1 3.39Å; M276-I310 WeakPolarHBondContact O-CG1 3.5Å; M276-I310 WeakPolarHBondContact O-CG2 3.36Å; M276-I310 HydrophobicContact SD-CG2 4.4Å; I310-S326 VanDerWaalsContact O-CB 3.23Å; I310-S326 WeakPolarHBondContact O-CB 3.38Å; I310-S326 PolarHBondContact O-OG 2.85Å; I310-L328 HydrophobicContact CD1-CD1 4.3Å; I310-L328 HydrophobicContact CG2-CD1 4.19Å; I310-F382 HydrophobicContact CD1-CB 4.06Å; I310-F382 HydrophobicContact CD1-CD2 4.09Å; I310-K383 HydrophobicContact CD1-CG 4.15Å; I310-K383 HydrophobicContact CG1-CD 4.47Å; I310-K383 HydrophobicContact CG1-CG 4.2Å; I310-E384 HydrophobicContact CB-CG 4.36Å; I310-E384 HydrophobicContact CD1-CG 3.94Å; I310-E384 HydrophobicContact CG1-CG 3.96Å; I310-E384 PolarHBondContact N-OE1 2.92Å
311A97.4Very high96.1Very high3 Ų339.9 Ų39.93%0.02520%0.201CC..  trans-84.5127.6-17100000111.8V259 S309 L314 V324V259-A311 WeakPolarHBondContact CG2-O 3.48Å; S309-A311 PolarHBondContact O-N 3.26Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 4.22Å; A311-V324 HydrophobicContact CB-CG1 3.78Å
312E97.1Very high96.3Very high87 Ų8734 Ų3441%0.40718%0.179SC..SBendtrans-86.8-35.8165-177.972.7-17000110C260 G325 R327C260-E312 WeakPolarHBondContact CB-O 3.48Å; E312-G325 PolarHBondContact N-O 2.82Å; E312-R327 HydrophobicContact CB-CB 4.04Å; E312-R327 HydrophobicContact CG-CB 4.2Å
313C97.6Very high96.4Very high15 Ų1532.8 Ų32.810%0.10117%0.172CC..EExtended strand (participates in β ladder)trans-150.2153.8178.956.20000111.3C18 G325C18-C313 PolarHBondContact SG-SG 3.19Å; C313-G325 PolarHBondContact N-O 2.88Å; C313-G325 PolarHBondContact O-N 3.42Å
314L97.7Very high96.5Very high4 Ų429.7 Ų29.72%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-127.9146.7-178.4-69.5169.5000110.1C260 N262 L272 L280 A311 V322 V324C260-L314 VanDerWaalsContact SG-CD1 3.53Å; C260-L314 VanDerWaalsContact SG-CG 3.56Å; N262-L314 HydrophobicContact CB-CB 3.84Å; N262-L314 WeakPolarHBondContact CB-O 3.48Å; N262-L314 PolarHBondContact ND2-O 3.35Å; L272-L314 HydrophobicContact CB-CD1 4.22Å; L280-L314 HydrophobicContact CD1-CD1 3.79Å; L280-L314 HydrophobicContact CD1-CD2 4.05Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 4.22Å; L314-V322 HydrophobicContact CD2-CG1 4.33Å; L314-V324 HydrophobicContact CD2-CB 4.26Å; L314-V324 HydrophobicContact CD2-CG1 4.09Å; L314-V324 HydrophobicContact CD2-CG2 3.88Å
315T96.9Very high96.6Very high1 Ų126.3 Ų26.31%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-146.3113.5171.7-72.60000110.5C18 T20 L31 L317 V322 F323C18-T315 PolarHBondContact O-OG1 3.21Å; C18-T315 PolarHBondContact SG-OG1 2.93Å; T20-T315 HydrophobicContact CG2-CG2 3.51Å; L31-T315 HydrophobicContact CD1-CG2 4.14Å; T315-L317 HydrophobicContact CG2-CD2 3.85Å; T315-V322 WeakPolarHBondContact O-CA 3.33Å; T315-F323 PolarHBondContact N-O 2.79Å; T315-F323 PolarHBondContact O-N 2.85Å
316Y97.3Very high96.6Very high39 Ų3925.6 Ų25.615%0.15314%0.136CC..EExtended strand (participates in β ladder)trans-70.1127.8167.3-179.4-92.9000108.7T20 N262 V264 L272 N319 G320 V322T20-Y316 WeakPolarHBondContact CG2-O 3.28Å; N262-Y316 WeakPolarHBondContact OD1-CB 3.19Å; N262-Y316 PolarHBondContact OD1-N 2.89Å; V264-Y316 HydrophobicContact CB-CD2 4.43Å; V264-Y316 HydrophobicContact CB-CG 4.39Å; V264-Y316 HydrophobicContact CG1-CD1 4.27Å; V264-Y316 HydrophobicContact CG1-CD2 3.84Å; V264-Y316 HydrophobicContact CG1-CE1 4.24Å; V264-Y316 HydrophobicContact CG1-CE2 3.8Å; V264-Y316 HydrophobicContact CG1-CG 4.08Å; V264-Y316 HydrophobicContact CG2-CD2 4.2Å; V264-Y316 HydrophobicContact CG2-CG 4.35Å; L272-Y316 HydrophobicContact CD1-CD2 4.5Å; Y316-N319 PolarHBondContact OH-N 2.79Å; Y316-G320 PolarHBondContact OH-N 2.87Å; Y316-G320 VanDerWaalsContact OH-N 3.14Å; Y316-V322 HydrophobicContact CD2-CG2 3.97Å
317L95.7Very high96.7Very high12 Ų1228.3 Ų28.36%0.06314%0.143CC..  trans-95.3-83.8-179.6-58.7176.7000109.5L29 L31 V44 L49 T315 V321 F323 L333L29-L317 HydrophobicContact CD2-CB 4.39Å; L29-L317 WeakPolarHBondContact CD2-O 3.43Å; L31-L317 HydrophobicContact CB-CD2 4.02Å; L31-L317 HydrophobicContact CD1-CD2 4.21Å; L31-L317 HydrophobicContact CG-CD2 4.47Å; V44-L317 HydrophobicContact CG1-CB 4.34Å; V44-L317 HydrophobicContact CG1-CD1 4.36Å; V44-L317 HydrophobicContact CG2-CB 4.43Å; V44-L317 HydrophobicContact CG2-CD1 4.13Å; V44-L317 HydrophobicContact CG2-CD2 3.99Å; V44-L317 HydrophobicContact CG2-CG 4.42Å; L49-L317 HydrophobicContact CD2-CD1 3.97Å; T315-L317 HydrophobicContact CG2-CD2 3.85Å; L317-V321 HydrophobicContact CD1-CG1 4.17Å; L317-V321 PolarHBondContact N-O 3.36Å; L317-F323 HydrophobicContact CD1-CB 4.46Å; L317-L333 HydrophobicContact CD1-CD1 3.75Å
318D92.5Very high96.7Very high82 Ų8224.9 Ų24.944%0.43913%0.128SC..SBendtrans-162164.7174.7-167.619.3000110.2L29 G320 V321L29-D318 HydrophobicContact CD2-CB 4.08Å; D318-G320 VanDerWaalsContact C-N 3.26Å; D318-G320 PolarHBondContact O-N 3.43Å; D318-G320 VanDerWaalsContact O-N 3.15Å; D318-V321 VanDerWaalsContact O-CB 3.31Å; D318-V321 WeakPolarHBondContact O-CB 3.44Å; D318-V321 WeakPolarHBondContact O-CG2 3.25Å; D318-V321 PolarHBondContact O-N 2.94Å
319N92.1Very high96.7Very high127 Ų12724.5 Ų24.568%0.67913%0.126SC*.THydrogen-bonded Turntrans51.538.5173.7-61.2-57.2000115Y316 V321Y316-N319 PolarHBondContact OH-N 2.79Å; N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 PolarHBondContact O-N 3.05Å
320G94.6Very high96.8Very high13 Ų1325.6 Ų25.613%0.13413%0.131CC..THydrogen-bonded Turntrans77.87.3-178.900000114.1Y316 D318 L336Y316-G320 PolarHBondContact OH-N 2.87Å; Y316-G320 VanDerWaalsContact OH-N 3.14Å; D318-G320 VanDerWaalsContact C-N 3.26Å; D318-G320 PolarHBondContact O-N 3.43Å; D318-G320 VanDerWaalsContact O-N 3.15Å; G320-L336 WeakPolarHBondContact O-CB 3.18Å; G320-L336 WeakPolarHBondContact O-CG 3.21Å; G320-L336 PolarHBondContact O-N 2.86Å
321V96.9Very high96.8Very high25 Ų2525.5 Ų25.515%0.15213%0.131CC..EExtended strand (participates in β ladder)trans-91134.1178.3-174.40000110.4L317 D318 N319 L333 V334 M350L317-V321 HydrophobicContact CD1-CG1 4.17Å; L317-V321 PolarHBondContact N-O 3.36Å; D318-V321 VanDerWaalsContact O-CB 3.31Å; D318-V321 WeakPolarHBondContact O-CB 3.44Å; D318-V321 WeakPolarHBondContact O-CG2 3.25Å; D318-V321 PolarHBondContact O-N 2.94Å; N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 PolarHBondContact O-N 3.05Å; V321-L333 HydrophobicContact CG1-CD1 3.46Å; V321-L333 VanDerWaalsContact CG1-CD1 3.46Å; V321-L333 HydrophobicContact CG1-CD2 4.16Å; V321-L333 HydrophobicContact CG1-CG 3.7Å; V321-V334 CarbonylContact C-O 3.49Å; V321-V334 WeakPolarHBondContact CA-O 3.18Å; V321-M350 HydrophobicContact CG1-SD 4.09Å; V321-M350 HydrophobicContact CG2-SD 4.02Å
322V98Very high96.8Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-130.1132.9-178.5-178.10000109L272 L314 T315 Y316 V324 V334 L336L272-V322 HydrophobicContact CD1-CB 4.33Å; L272-V322 HydrophobicContact CD1-CG1 3.81Å; L272-V322 HydrophobicContact CD1-CG2 3.49Å; L272-V322 VanDerWaalsContact CD1-CG2 3.49Å; L314-V322 HydrophobicContact CD2-CG1 4.33Å; T315-V322 WeakPolarHBondContact O-CA 3.33Å; Y316-V322 HydrophobicContact CD2-CG2 3.97Å; V322-V324 HydrophobicContact CG1-CG2 4.35Å; V322-V334 HydrophobicContact CB-CG2 3.81Å; V322-V334 HydrophobicContact CG1-CG2 4.48Å; V322-V334 PolarHBondContact N-O 3.06Å; V322-V334 PolarHBondContact O-N 3.38Å; V322-L336 HydrophobicContact CG2-CD1 3.76Å; V322-L336 HydrophobicContact CG2-CG 3.97Å
323F98.4Very high96.8Very high1 Ų123.1 Ų23.10%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-89.8129.3165.5-178.5-102.7000110.1V15 C18 L31 I33 L49 T315 L317 L333 F353V15-F323 HydrophobicContact CG1-CE1 4.49Å; V15-F323 HydrophobicContact CG2-CZ 4.49Å; C18-F323 HydrophobicContact CB-CD1 4Å; C18-F323 HydrophobicContact CB-CE1 4.07Å; L31-F323 HydrophobicContact CD1-CB 4.25Å; L31-F323 HydrophobicContact CD1-CD1 4Å; L31-F323 HydrophobicContact CD1-CG 4.21Å; L31-F323 HydrophobicContact CD2-CB 3.85Å; L31-F323 HydrophobicContact CD2-CD1 4.03Å; L31-F323 HydrophobicContact CD2-CD2 3.75Å; L31-F323 HydrophobicContact CD2-CE2 4.32Å; L31-F323 HydrophobicContact CD2-CG 3.58Å; I33-F323 HydrophobicContact CD1-CE1 3.79Å; I33-F323 HydrophobicContact CD1-CE2 3.91Å; I33-F323 HydrophobicContact CD1-CZ 3.42Å; I33-F323 VanDerWaalsContact CD1-CZ 3.42Å; I33-F323 HydrophobicContact CG1-CE1 3.98Å; I33-F323 HydrophobicContact CG1-CZ 4.13Å; L49-F323 HydrophobicContact CD1-CD2 4.46Å; T315-F323 PolarHBondContact N-O 2.79Å; T315-F323 PolarHBondContact O-N 2.85Å; L317-F323 HydrophobicContact CD1-CB 4.46Å; F323-L333 HydrophobicContact CB-CD1 4.44Å; F323-F353 HydrophobicContact CD2-CE2 4.25Å; F323-F353 AromaticContact CE2-CD2 3.87Å; F323-F353 HydrophobicContact CE2-CD2 3.87Å; F323-F353 AromaticContact CE2-CE2 3.85Å; F323-F353 HydrophobicContact CE2-CE2 3.85Å
324V98.4Very high96.8Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-112.1100.8178.9-175.60000107.9T308 A311 L314 V322 S331 Q332 V334T308-V324 HydrophobicContact CG2-CG2 4.21Å; A311-V324 HydrophobicContact CB-CG1 3.78Å; L314-V324 HydrophobicContact CD2-CB 4.26Å; L314-V324 HydrophobicContact CD2-CG1 4.09Å; L314-V324 HydrophobicContact CD2-CG2 3.88Å; V322-V324 HydrophobicContact CG1-CG2 4.35Å; V324-S331 CarbonylContact O-C 3.58Å; V324-S331 VanDerWaalsContact O-CA 3.3Å; V324-S331 WeakPolarHBondContact O-CA 3.17Å; V324-S331 VanDerWaalsContact O-CB 3.25Å; V324-S331 WeakPolarHBondContact O-CB 3.33Å; V324-Q332 HydrophobicContact CB-CB 4.31Å; V324-Q332 PolarHBondContact N-O 2.71Å; V324-Q332 PolarHBondContact O-N 3.44Å; V324-V334 HydrophobicContact CG2-CG1 4.21Å; V324-V334 HydrophobicContact CG2-CG2 3.96Å
325G98.2Very high96.7Very high0 Ų026.8 Ų26.80%013%0.134CC..EExtended strand (participates in β ladder)trans-81.6122.3175.300000110E312 C313E312-G325 PolarHBondContact N-O 2.82Å; C313-G325 PolarHBondContact N-O 2.88Å; C313-G325 PolarHBondContact O-N 3.42Å
326S98.2Very high96.7Very high0 Ų028 Ų280%014%0.14CC..  trans-115.2141.4177.5-172.70000111.9V15 I310 L328 G329 S331 N355V15-S326 PolarHBondContact N-O 2.84Å; I310-S326 VanDerWaalsContact O-CB 3.23Å; I310-S326 WeakPolarHBondContact O-CB 3.38Å; I310-S326 PolarHBondContact O-OG 2.85Å; S326-L328 PolarHBondContact OG-N 2.82Å; S326-G329 VanDerWaalsContact CB-O 3.28Å; S326-G329 WeakPolarHBondContact CB-O 3.4Å; S326-G329 PolarHBondContact OG-N 3.41Å; S326-G329 PolarHBondContact OG-O 2.85Å; S326-S331 PolarHBondContact N-OG 3.41Å; S326-N355 PolarHBondContact O-ND2 2.97Å
327R96.9Very high96.6Very high66 Ų6629.1 Ų29.125%0.24915%0.149CC..SBendtrans-94.9-24.1170.6-176.5178.7170.376.412.7112.4A14 E312 N355 N1034A14-R327 HydrophobicContact CB-CG 4.29Å; E312-R327 HydrophobicContact CB-CB 4.04Å; E312-R327 HydrophobicContact CG-CB 4.2Å; R327-N355 PolarHBondContact O-ND2 2.93Å; R327-N1034 PolarHBondContact NH1-OD1 2.72Å; R327-N1034 PolarHBondContact NH2-OD1 2.82Å
328L96.8Very high96.4Very high32 Ų3235 Ų3517%0.16819%0.185CC..SBendtrans-107.8-11.8-170.4-59.4179.9000114I310 S326 G380 A381 F382 E384I310-L328 HydrophobicContact CD1-CD1 4.3Å; I310-L328 HydrophobicContact CG2-CD1 4.19Å; S326-L328 PolarHBondContact OG-N 2.82Å; L328-G380 WeakPolarHBondContact O-CA 3.49Å; L328-A381 HydrophobicContact CD2-CB 4.23Å; L328-A381 PolarHBondContact O-N 3.35Å; L328-F382 HydrophobicContact CD1-CD2 4.06Å; L328-F382 HydrophobicContact CD1-CE2 4.08Å; L328-E384 WeakPolarHBondContact O-CB 3.31Å
329G96Very high96.5Very high0 Ų037.3 Ų37.30%020%0.197CC..SBendtrans-155.6-171.8-179.900000111S326 N355S326-G329 VanDerWaalsContact CB-O 3.28Å; S326-G329 WeakPolarHBondContact CB-O 3.4Å; S326-G329 PolarHBondContact OG-N 3.41Å; S326-G329 PolarHBondContact OG-O 2.85Å; G329-N355 WeakPolarHBondContact O-CB 3.43Å; G329-N355 PolarHBondContact O-ND2 2.7Å
330D97.8Very high96.5Very high25 Ų2533.8 Ų33.813%0.13418%0.183CC..  trans-63.6138.7179.6-65-19.2000110.4S309 T352 F353 T354 N355 R388S309-D330 WeakPolarHBondContact CB-O 3.25Å; S309-D330 PolarHBondContact OG-O 3.41Å; D330-T352 HydrophobicContact CB-CG2 3.37Å; D330-F353 CarbonylContact C-O 3.58Å; D330-F353 WeakPolarHBondContact CA-O 3.38Å; D330-F353 WeakPolarHBondContact CB-O 3.47Å; D330-T354 WeakPolarHBondContact OD1-CA 3.23Å; D330-N355 PolarHBondContact OD1-N 2.7Å; D330-R388 IonicContact OD1-CZ 3.79Å; D330-R388 VanDerWaalsContact OD1-CZ 3.26Å; D330-R388 IonicContact OD1-NH1 3.86Å; D330-R388 PolarHBondContact OD1-NH1 3.11Å; D330-R388 IonicContact OD1-NH2 3.94Å; D330-R388 PolarHBondContact OD1-NH2 2.82Å; D330-R388 IonicContact OD2-CZ 3.97Å; D330-R388 IonicContact OD2-NH1 3.5Å; D330-R388 PolarHBondContact OD2-NH1 2.9Å; D330-R388 IonicContact OD2-NH2 2.83Å; D330-R388 PolarHBondContact OD2-NH2 2.74Å
331S98.1Very high96.3Very high3 Ų336.3 Ų36.32%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-76.7156.5173-61.50000109.6V15 V324 S326 T352 F353V15-S331 WeakPolarHBondContact CG2-OG 3.2Å; V324-S331 CarbonylContact O-C 3.58Å; V324-S331 VanDerWaalsContact O-CA 3.3Å; V324-S331 WeakPolarHBondContact O-CA 3.17Å; V324-S331 VanDerWaalsContact O-CB 3.25Å; V324-S331 WeakPolarHBondContact O-CB 3.33Å; S326-S331 PolarHBondContact N-OG 3.41Å; S331-T352 CarbonylContact O-C 3.53Å; S331-T352 WeakPolarHBondContact O-CA 3.33Å; S331-F353 PolarHBondContact N-O 3.3Å; S331-F353 PolarHBondContact O-N 3.21Å
332Q97.7Very high95.9Very high34 Ų3445.1 Ų45.116%0.15923%0.233CC..EExtended strand (participates in β ladder)trans-133.9143.9-173.8-67.8176.1-23.700112.1S309 V324 V334 E351S309-Q332 WeakPolarHBondContact OG-CG 3.17Å; S309-Q332 PolarHBondContact OG-NE2 2.94Å; S309-Q332 PolarHBondContact OG-OE1 2.69Å; V324-Q332 HydrophobicContact CB-CB 4.31Å; V324-Q332 PolarHBondContact N-O 2.71Å; V324-Q332 PolarHBondContact O-N 3.44Å; Q332-V334 HydrophobicContact CB-CG1 3.78Å; Q332-E351 WeakPolarHBondContact CA-O 3.49Å
333L97.3Very high95.4Very high6 Ų653.6 Ų53.63%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-95.7122.4156.9-167.568.6000107.1L49 L317 V321 F323 M350 E351 F353L49-L333 HydrophobicContact CD1-CD1 4.09Å; L49-L333 HydrophobicContact CD1-CD2 4.48Å; L49-L333 HydrophobicContact CG-CD1 4.41Å; L49-L333 HydrophobicContact CG-CD2 4.28Å; L317-L333 HydrophobicContact CD1-CD1 3.75Å; V321-L333 HydrophobicContact CG1-CD1 3.46Å; V321-L333 VanDerWaalsContact CG1-CD1 3.46Å; V321-L333 HydrophobicContact CG1-CD2 4.16Å; V321-L333 HydrophobicContact CG1-CG 3.7Å; F323-L333 HydrophobicContact CB-CD1 4.44Å; L333-M350 HydrophobicContact CB-CB 4.43Å; L333-M350 HydrophobicContact CD2-CB 4.41Å; L333-M350 HydrophobicContact CD2-SD 4.42Å; L333-M350 HydrophobicContact CG-CB 4.45Å; L333-M350 HydrophobicContact CG-SD 4.45Å; L333-M350 WeakPolarHBondContact O-CA 3.5Å; L333-M350 WeakPolarHBondContact O-CB 3.12Å; L333-M350 PolarHBondContact O-N 3.11Å; L333-E351 HydrophobicContact CB-CB 3.92Å; L333-E351 PolarHBondContact N-O 3.11Å; L333-E351 PolarHBondContact O-N 2.8Å; L333-F353 HydrophobicContact CB-CE2 4.12Å
334V97.3Very high95.1Very high0 Ų055.6 Ų55.60%029%0.293CS..EExtended strand (participates in β ladder)trans-124.1147.9-177.2-530000111.2T308 V321 V322 V324 Q332 V347 V348T308-V334 HydrophobicContact CG2-CG1 4.12Å; T308-V334 HydrophobicContact CG2-CG2 4.46Å; V321-V334 CarbonylContact C-O 3.49Å; V321-V334 WeakPolarHBondContact CA-O 3.18Å; V322-V334 HydrophobicContact CB-CG2 3.81Å; V322-V334 HydrophobicContact CG1-CG2 4.48Å; V322-V334 PolarHBondContact N-O 3.06Å; V322-V334 PolarHBondContact O-N 3.38Å; V324-V334 HydrophobicContact CG2-CG1 4.21Å; V324-V334 HydrophobicContact CG2-CG2 3.96Å; Q332-V334 HydrophobicContact CB-CG1 3.78Å; V334-V347 HydrophobicContact CB-CG1 3.67Å; V334-V347 HydrophobicContact CG1-CG1 4.07Å; V334-V347 HydrophobicContact CG2-CG1 3.86Å; V334-V348 CarbonylContact C-O 3.54Å; V334-V348 WeakPolarHBondContact CA-O 3.37Å
335K96.5Very high94.9Very high96 Ų9656.5 Ų56.542%0.41730%0.3SS..EExtended strand (participates in β ladder)trans-104.8130.9172.2-171.4171.4179.31760110.1V348 M350K335-V348 PolarHBondContact N-O 2.77Å; K335-V348 PolarHBondContact O-N 3.19Å; K335-M350 HydrophobicContact CB-CG 3.89Å; K335-M350 HydrophobicContact CB-SD 3.73Å
336L96.5Very high94.8Very high27 Ų2760.3 Ų60.314%0.14131%0.314CS..EExtended strand (participates in β ladder)trans-90114.4170.6-54.4-177.1000108.9L272 L280 M282 L305 G320 V322 Y346 V347L272-L336 HydrophobicContact CD2-CD1 4Å; L280-L336 HydrophobicContact CD2-CD2 3.89Å; M282-L336 HydrophobicContact CE-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD2 4Å; G320-L336 WeakPolarHBondContact O-CB 3.18Å; G320-L336 WeakPolarHBondContact O-CG 3.21Å; G320-L336 PolarHBondContact O-N 2.86Å; V322-L336 HydrophobicContact CG2-CD1 3.76Å; V322-L336 HydrophobicContact CG2-CG 3.97Å; L336-Y346 CarbonylContact C-O 3.25Å; L336-Y346 WeakPolarHBondContact CA-O 3.33Å; L336-V347 HydrophobicContact CD2-CG2 3.91Å
337N95Very high94.8Very high63 Ų6360.9 Ų60.934%0.33732%0.318SS..  trans-88.7154.9174.2-68.4-32.3000110.8D339 Y346 V348N337-D339 WeakPolarHBondContact CB-O 3.28Å; N337-Y346 PolarHBondContact N-O 2.97Å; N337-V348 VanDerWaalsContact ND2-CG2 3.28Å; N337-V348 WeakPolarHBondContact ND2-CG2 3.42Å
338V91.9Very high94.7Very high134 Ų13460.8 Ų60.881%0.81233%0.325SS*.SBendtrans-73.1-41.9176.3179.40000110.8Y346V338-Y346 WeakPolarHBondContact O-CD1 3.48Å; V338-Y346 VanDerWaalsContact O-CE1 3.32Å; V338-Y346 WeakPolarHBondContact O-CE1 3.34Å
339D93.3Very high94.6Very high131 Ų13162 Ų6270%0.70134%0.339SS*.SBendtrans-98.2145.8177.3-58.6-55.8000110.1N337N337-D339 WeakPolarHBondContact CB-O 3.28Å
340S92.6Very high94.4Very high54 Ų5466.9 Ų66.938%0.37836%0.363SS..  trans-75.7150.1172.943.80000111.1S345 Y346S340-S345 CarbonylContact C-O 3.54Å; S340-S345 WeakPolarHBondContact CA-O 3.35Å; S340-Y346 VanDerWaalsContact N-CE1 3.34Å
341N91.8Very high94.2Very high65 Ų6569.2 Ų69.235%0.34837%0.374SS..  trans-74.2-178.9170.370.412.2000111.4Q343 G344 S345N341-Q343 PolarHBondContact O-N 2.78Å; N341-Q343 WeakPolarHBondContact OD1-CA 3.44Å; N341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; N341-Q343 PolarHBondContact OD1-N 2.76Å; N341-G344 PolarHBondContact O-N 2.79Å; N341-G344 PolarHBondContact OD1-N 3.28Å; N341-S345 VanDerWaalsContact CG-O 3.23Å; N341-S345 PolarHBondContact N-O 2.84Å; N341-S345 PolarHBondContact OD1-N 2.8Å; N341-S345 PolarHBondContact OD1-O 3.48Å
342E88Confident93.9Very high211 Ų21172.4 Ų72.499%0.98639%0.393SS*.THydrogen-bonded Turntrans-58.1-21.7-179.5-61.2-176.5172.300114.2
343Q88.1Confident93.7Very high177 Ų17772.6 Ų72.683%0.82739%0.393SS*.THydrogen-bonded Turntrans-93.72.1178.3-61.4176.9-6.800112.9N341 S345N341-Q343 PolarHBondContact O-N 2.78Å; N341-Q343 WeakPolarHBondContact OD1-CA 3.44Å; N341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; N341-Q343 PolarHBondContact OD1-N 2.76Å; Q343-S345 VanDerWaalsContact C-N 3.32Å
344G90.9Very high93.5Very high44 Ų4475.1 Ų75.145%0.45441%0.409SS..SBendtrans80.48.2-176.800000114.5N341N341-G344 PolarHBondContact O-N 2.79Å; N341-G344 PolarHBondContact OD1-N 3.28Å
345S94.6Very high93.5Very high19 Ų1975.2 Ų75.213%0.13341%0.409CS..  trans-89.7134.4177.3179.60000111.4L305 S340 N341 Q343 V347L305-S345 CarbonylContact O-C 3.44Å; S340-S345 CarbonylContact C-O 3.54Å; S340-S345 WeakPolarHBondContact CA-O 3.35Å; N341-S345 VanDerWaalsContact CG-O 3.23Å; N341-S345 PolarHBondContact N-O 2.84Å; N341-S345 PolarHBondContact OD1-N 2.8Å; N341-S345 PolarHBondContact OD1-O 3.48Å; Q343-S345 VanDerWaalsContact C-N 3.32Å; S345-V347 PolarHBondContact OG-N 3.31Å; S345-V347 VanDerWaalsContact OG-N 3.11Å; S345-V347 PolarHBondContact OG-O 2.9Å
346Y96.8Very high93.5Very high79 Ų7970.6 Ų70.631%0.3139%0.39SS..  trans-91.4-1.5171.3-61-91.8000112.1L305 L336 N337 V338 S340L305-Y346 WeakPolarHBondContact O-CD2 3.31Å; L305-Y346 PolarHBondContact O-N 3.48Å; L336-Y346 CarbonylContact C-O 3.25Å; L336-Y346 WeakPolarHBondContact CA-O 3.33Å; N337-Y346 PolarHBondContact N-O 2.97Å; V338-Y346 WeakPolarHBondContact O-CD1 3.48Å; V338-Y346 VanDerWaalsContact O-CE1 3.32Å; V338-Y346 WeakPolarHBondContact O-CE1 3.34Å; S340-Y346 VanDerWaalsContact N-CE1 3.34Å
347V96.9Very high93.5Very high12 Ų1269.3 Ų69.37%0.07338%0.383CS..EExtended strand (participates in β ladder)trans-106.8130.9-174.1-171.20000110.3L280 L305 T308 V334 L336 S345L280-V347 HydrophobicContact CD2-CG2 4.05Å; L305-V347 HydrophobicContact CB-CG2 3.85Å; T308-V347 HydrophobicContact CG2-CG1 3.79Å; V334-V347 HydrophobicContact CB-CG1 3.67Å; V334-V347 HydrophobicContact CG1-CG1 4.07Å; V334-V347 HydrophobicContact CG2-CG1 3.86Å; L336-V347 HydrophobicContact CD2-CG2 3.91Å; S345-V347 PolarHBondContact OG-N 3.31Å; S345-V347 VanDerWaalsContact OG-N 3.11Å; S345-V347 PolarHBondContact OG-O 2.9Å
348V95.7Very high93.6Very high65 Ų6567.3 Ų67.339%0.39437%0.373SS..EExtended strand (participates in β ladder)trans-125.9122.5173.6176.90000109.1V334 K335 N337 M350V334-V348 CarbonylContact C-O 3.54Å; V334-V348 WeakPolarHBondContact CA-O 3.37Å; K335-V348 PolarHBondContact N-O 2.77Å; K335-V348 PolarHBondContact O-N 3.19Å; N337-V348 VanDerWaalsContact ND2-CG2 3.28Å; N337-V348 WeakPolarHBondContact ND2-CG2 3.42Å; V348-M350 PolarHBondContact O-N 2.83Å
349A94.2Very high93.9Very high57 Ų5761 Ų6147%0.47134%0.335SS..EExtended strand (participates in β ladder)trans-67.1125.8172.800000110
350M92.5Very high94.2Very high102 Ų10255.9 Ų55.950%0.50231%0.308SS..EExtended strand (participates in β ladder)trans-94.1-43.9175.9-62179.464.700111V321 L333 K335 V348V321-M350 HydrophobicContact CG1-SD 4.09Å; V321-M350 HydrophobicContact CG2-SD 4.02Å; L333-M350 HydrophobicContact CB-CB 4.43Å; L333-M350 HydrophobicContact CD2-CB 4.41Å; L333-M350 HydrophobicContact CD2-SD 4.42Å; L333-M350 HydrophobicContact CG-CB 4.45Å; L333-M350 HydrophobicContact CG-SD 4.45Å; L333-M350 WeakPolarHBondContact O-CA 3.5Å; L333-M350 WeakPolarHBondContact O-CB 3.12Å; L333-M350 PolarHBondContact O-N 3.11Å; K335-M350 HydrophobicContact CB-CG 3.89Å; K335-M350 HydrophobicContact CB-SD 3.73Å; V348-M350 PolarHBondContact O-N 2.83Å
351E91.8Very high94.4Very high75 Ų7554.4 Ų54.435%0.3530%0.296SS..EExtended strand (participates in β ladder)trans-148.3149.7-175.6-165.3178.5169.500109.3Q332 L333 F353Q332-E351 WeakPolarHBondContact CA-O 3.49Å; L333-E351 HydrophobicContact CB-CB 3.92Å; L333-E351 PolarHBondContact N-O 3.11Å; L333-E351 PolarHBondContact O-N 2.8Å; E351-F353 HydrophobicContact CB-CE2 4.38Å; E351-F353 HydrophobicContact CB-CZ 4.28Å; E351-F353 VanDerWaalsContact CD-CZ 3.45Å; E351-F353 HydrophobicContact CG-CE1 4.28Å; E351-F353 HydrophobicContact CG-CE2 4.33Å; E351-F353 HydrophobicContact CG-CZ 3.9Å; E351-F353 WeakPolarHBondContact OE1-CE1 3.46Å
352T92.8Very high94.7Very high70 Ų7051.6 Ų51.643%0.42928%0.281SS..EExtended strand (participates in β ladder)trans-128.4133.6179.4-61.90000109.5D330 S331D330-T352 HydrophobicContact CB-CG2 3.37Å; S331-T352 CarbonylContact O-C 3.53Å; S331-T352 WeakPolarHBondContact O-CA 3.33Å
353F93.4Very high95.1Very high37 Ų3742.3 Ų42.316%0.16224%0.239CC..EExtended strand (participates in β ladder)trans-111.5114.8-177.8-54.3-87.1000109.5L49 F323 D330 S331 L333 E351 N355L49-F353 HydrophobicContact CD1-CE2 4.47Å; L49-F353 HydrophobicContact CD1-CZ 3.9Å; F323-F353 HydrophobicContact CD2-CE2 4.25Å; F323-F353 AromaticContact CE2-CD2 3.87Å; F323-F353 HydrophobicContact CE2-CD2 3.87Å; F323-F353 AromaticContact CE2-CE2 3.85Å; F323-F353 HydrophobicContact CE2-CE2 3.85Å; D330-F353 CarbonylContact C-O 3.58Å; D330-F353 WeakPolarHBondContact CA-O 3.38Å; D330-F353 WeakPolarHBondContact CB-O 3.47Å; S331-F353 PolarHBondContact N-O 3.3Å; S331-F353 PolarHBondContact O-N 3.21Å; L333-F353 HydrophobicContact CB-CE2 4.12Å; E351-F353 HydrophobicContact CB-CE2 4.38Å; E351-F353 HydrophobicContact CB-CZ 4.28Å; E351-F353 VanDerWaalsContact CD-CZ 3.45Å; E351-F353 HydrophobicContact CG-CE1 4.28Å; E351-F353 HydrophobicContact CG-CE2 4.33Å; E351-F353 HydrophobicContact CG-CZ 3.9Å; E351-F353 WeakPolarHBondContact OE1-CE1 3.46Å; F353-N355 PolarHBondContact O-N 3.05Å
354T92.9Very high95.4Very high60 Ų6035.8 Ų35.837%0.36821%0.212SC..  trans-54.6127-176.1-55.90000112.7D330 L356 I712D330-T354 WeakPolarHBondContact OD1-CA 3.23Å; T354-L356 HydrophobicContact CG2-CD2 4.38Å; T354-I712 HydrophobicContact CG2-CB 4.36Å; T354-I712 HydrophobicContact CG2-CD1 3.97Å; T354-I712 HydrophobicContact CG2-CG2 3.93Å
355N96.6Very high95.4Very high1 Ų134 Ų341%0.00519%0.192CC..  trans-124.8123.1171.5-179.917.9000110.6T13 A14 S326 R327 G329 D330 F353 G357 R388T13-N355 PolarHBondContact OG1-OD1 2.97Å; A14-N355 WeakPolarHBondContact CA-OD1 3.17Å; A14-N355 PolarHBondContact N-OD1 2.77Å; A14-N355 VanDerWaalsContact N-OD1 3.11Å; S326-N355 PolarHBondContact O-ND2 2.97Å; R327-N355 PolarHBondContact O-ND2 2.93Å; G329-N355 WeakPolarHBondContact O-CB 3.43Å; G329-N355 PolarHBondContact O-ND2 2.7Å; D330-N355 PolarHBondContact OD1-N 2.7Å; F353-N355 PolarHBondContact O-N 3.05Å; N355-G357 WeakPolarHBondContact OD1-CA 3.28Å; N355-G357 PolarHBondContact OD1-N 2.85Å; N355-R388 PolarHBondContact O-NH2 2.89Å
356L97.1Very high94.9Very high0 Ų035.9 Ų35.90%020%0.2CC..  trans-87.7-13176.9-58.9-179.9000112.5Q10 T13 T354 P358 I359 S379 R388 I390 I712 I1037Q10-L356 HydrophobicContact CG-CD1 3.8Å; T13-L356 PolarHBondContact OG1-N 3.47Å; T354-L356 HydrophobicContact CG2-CD2 4.38Å; L356-P358 CarbonylContact O-C 3.2Å; L356-I359 HydrophobicContact CB-CD1 4.16Å; L356-I359 HydrophobicContact CB-CG1 4.16Å; L356-I359 VanDerWaalsContact O-CG1 3.23Å; L356-I359 WeakPolarHBondContact O-CG1 3.45Å; L356-I359 PolarHBondContact O-N 3.08Å; L356-S379 WeakPolarHBondContact O-CB 3.33Å; L356-S379 PolarHBondContact O-OG 3.46Å; L356-R388 HydrophobicContact CD2-CB 3.71Å; L356-R388 HydrophobicContact CD2-CG 3.6Å; L356-I390 HydrophobicContact CD1-CD1 3.72Å; L356-I390 HydrophobicContact CD2-CD1 3.99Å; L356-I712 HydrophobicContact CD1-CD1 4.26Å; L356-I712 HydrophobicContact CD2-CD1 4.15Å; L356-I712 HydrophobicContact CD2-CG2 3.86Å; L356-I712 HydrophobicContact CG-CD1 4.42Å; L356-I1037 HydrophobicContact CD1-CD1 3.78Å; L356-I1037 HydrophobicContact CD1-CG1 4.46Å
357G96Very high94Very high0 Ų033.3 Ų33.30%019%0.192CC..  trans-84148.1-172.300000114.3N355N355-G357 WeakPolarHBondContact OD1-CA 3.28Å; N355-G357 PolarHBondContact OD1-N 2.85Å
358P98.3Very high92.8Very high21 Ų2137.4 Ų37.414%0.13621%0.21CC..SBendcis-70.3135.3-16.529.1-35.7000111.6L356 V360 S379 G380 V1033L356-P358 CarbonylContact O-C 3.2Å; P358-V360 HydrophobicContact CB-CG1 4.18Å; P358-V360 HydrophobicContact CG-CG1 4.24Å; P358-V360 PolarHBondContact O-N 3.14Å; P358-S379 VanDerWaalsContact O-CA 3.28Å; P358-S379 WeakPolarHBondContact O-CA 3.46Å; P358-G380 PolarHBondContact O-N 2.96Å; P358-G380 VanDerWaalsContact O-N 3.11Å; P358-V1033 VanDerWaalsContact CA-O 3.31Å; P358-V1033 WeakPolarHBondContact CA-O 3.25Å; P358-V1033 HydrophobicContact CB-CB 4.4Å
359I98.5Very high91.6Very high0 Ų042.6 Ų42.60%022%0.223CC..EExtended strand (participates in β ladder)trans-79.6110.2164.1-62169.9000106.4L356 M362 T377 C378 N1005 V1006 T1032 I1037L356-I359 HydrophobicContact CB-CD1 4.16Å; L356-I359 HydrophobicContact CB-CG1 4.16Å; L356-I359 VanDerWaalsContact O-CG1 3.23Å; L356-I359 WeakPolarHBondContact O-CG1 3.45Å; L356-I359 PolarHBondContact O-N 3.08Å; I359-M362 HydrophobicContact CG2-SD 4.46Å; I359-T377 HydrophobicContact CD1-CG2 4.43Å; I359-T377 HydrophobicContact CG2-CG2 4.15Å; I359-C378 WeakPolarHBondContact CA-O 3.48Å; I359-N1005 VanDerWaalsContact O-CG 3.27Å; I359-N1005 PolarHBondContact O-ND2 2.87Å; I359-N1005 PolarHBondContact O-OD1 3.08Å; I359-V1006 HydrophobicContact CG2-CG1 3.97Å; I359-T1032 PolarHBondContact N-O 2.93Å; I359-I1037 HydrophobicContact CD1-CD1 4.39Å; I359-I1037 HydrophobicContact CD1-CG1 3.74Å
360V97.9Very high90.2Very high25 Ų2544.2 Ų44.215%0.15222%0.22CC..EExtended strand (participates in β ladder)trans-98.5-25.8-176.5-67.30000113.6P358 C378 P721P358-V360 HydrophobicContact CB-CG1 4.18Å; P358-V360 HydrophobicContact CG-CG1 4.24Å; P358-V360 PolarHBondContact O-N 3.14Å; V360-C378 HydrophobicContact CG2-CB 3.57Å; V360-C378 WeakPolarHBondContact CG2-O 3.26Å; V360-C378 PolarHBondContact N-O 2.85Å; V360-P721 VanDerWaalsContact CG2-O 3.3Å; V360-P721 WeakPolarHBondContact CG2-O 3.41Å
361D98.3Very high88.9Confident22 Ų2241.6 Ų41.612%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-158.3161.8172.8-158.919000109.8C378 K723 I724D361-C378 HydrophobicContact CB-CB 4.26Å; D361-C378 PolarHBondContact O-N 2.88Å; D361-K723 HydrophobicContact CB-CD 4.2Å; D361-K723 WeakPolarHBondContact OD2-CA 3.21Å; D361-K723 WeakPolarHBondContact OD2-CD 3.39Å; D361-I724 HydrophobicContact CB-CG2 4.31Å; D361-I724 PolarHBondContact OD2-N 3.36Å
362M97.8Very high87.9Confident7 Ų740.2 Ų40.23%0.03421%0.213CC..EExtended strand (participates in β ladder)trans-158.4154.5179.365.5-171.3-173.500112.6I359 L375 V376 T377 V1006 C1008 L1029I359-M362 HydrophobicContact CG2-SD 4.46Å; M362-L375 HydrophobicContact CB-CD1 3.94Å; M362-L375 HydrophobicContact CG-CD1 4.05Å; M362-L375 HydrophobicContact SD-CD1 3.93Å; M362-L375 HydrophobicContact SD-CD2 4.3Å; M362-V376 VanDerWaalsContact CA-O 3.28Å; M362-V376 WeakPolarHBondContact CA-O 3.36Å; M362-T377 HydrophobicContact CB-CG2 3.98Å; M362-V1006 HydrophobicContact CE-CG1 4.06Å; M362-V1006 HydrophobicContact CE-CG2 4.36Å; M362-V1006 HydrophobicContact CG-CG1 3.96Å; M362-V1006 HydrophobicContact CG-CG2 3.87Å; M362-V1006 HydrophobicContact SD-CG1 3.9Å; M362-C1008 HydrophobicContact CE-CB 3.66Å; M362-C1008 HydrophobicContact CG-CB 4.09Å; M362-L1029 HydrophobicContact CE-CB 4.05Å; M362-L1029 VanDerWaalsContact CE-O 3.26Å; M362-L1029 WeakPolarHBondContact CE-O 3.35Å
363C96Very high87.2Confident15 Ų1537.3 Ų37.310%0.10120%0.197CC..EExtended strand (participates in β ladder)trans-138.2149.7170.767.10000111.1V376 I724C363-V376 PolarHBondContact N-O 3.11Å; C363-V376 PolarHBondContact O-N 3.21Å; C363-I724 HydrophobicContact CB-CG2 4.38Å
364V93.7Very high87Confident41 Ų4136.7 Ų36.725%0.24820%0.195CC..EExtended strand (participates in β ladder)trans-101.2130.2174.7-179.90000109Q374 L375 L1029V364-Q374 WeakPolarHBondContact CA-O 3.3Å; V364-L375 HydrophobicContact CG2-CD1 3.7Å; V364-L1029 HydrophobicContact CG2-CD1 3.81Å
365V91.6Very high87Confident6 Ų633.8 Ų33.84%0.03618%0.177CC..EExtended strand (participates in β ladder)trans-135143.9-177.7-66.10000111.2L367 Q374 V376 Y726 F733V365-L367 HydrophobicContact CB-CD2 4.24Å; V365-L367 HydrophobicContact CB-CG 4.34Å; V365-L367 HydrophobicContact CG2-CD1 4.3Å; V365-L367 HydrophobicContact CG2-CD2 4.08Å; V365-L367 HydrophobicContact CG2-CG 3.82Å; V365-Q374 HydrophobicContact CG2-CB 4.22Å; V365-Q374 PolarHBondContact N-O 3.41Å; V365-Q374 PolarHBondContact O-N 3.48Å; V365-V376 HydrophobicContact CG2-CG2 3.9Å; V365-Y726 HydrophobicContact CB-CD1 4.44Å; V365-Y726 HydrophobicContact CG1-CD1 3.63Å; V365-Y726 HydrophobicContact CG1-CD2 4.3Å; V365-Y726 HydrophobicContact CG1-CE1 4.35Å; V365-Y726 HydrophobicContact CG1-CG 3.59Å; V365-F733 HydrophobicContact CG1-CE1 3.85Å; V365-F733 HydrophobicContact CG1-CZ 4.29Å; V365-F733 HydrophobicContact CG2-CE1 4.33Å; V365-F733 HydrophobicContact CG2-CZ 4.08Å
366D84.2Confident87.1Confident59 Ų5933.8 Ų33.832%0.31618%0.177SC..  trans-109.478.2170.8-177.47.3000108.9E368 R369 Q370 G371D366-E368 VanDerWaalsContact C-N 3.26Å; D366-E368 PolarHBondContact O-N 3.38Å; D366-R369 PolarHBondContact O-N 2.92Å; D366-R369 VanDerWaalsContact OD1-CA 3.29Å; D366-R369 WeakPolarHBondContact OD1-CA 3.49Å; D366-R369 PolarHBondContact OD1-N 2.82Å; D366-R369 WeakPolarHBondContact OD2-CA 3.35Å; D366-Q370 PolarHBondContact OD1-N 3.47Å; D366-Q370 VanDerWaalsContact OD1-N 3.07Å; D366-Q370 PolarHBondContact OD2-N 3.5Å; D366-G371 WeakPolarHBondContact OD2-CA 3.48Å; D366-G371 PolarHBondContact OD2-N 3.02Å
367L77.6Confident87.1Confident24 Ų2433.8 Ų33.813%0.12618%0.177CC..THydrogen-bonded Turntrans-64.3-31.5-176.1-63.2178.4000112.5V365 Y726 F733 Q796V365-L367 HydrophobicContact CB-CD2 4.24Å; V365-L367 HydrophobicContact CB-CG 4.34Å; V365-L367 HydrophobicContact CG2-CD1 4.3Å; V365-L367 HydrophobicContact CG2-CD2 4.08Å; V365-L367 HydrophobicContact CG2-CG 3.82Å; L367-Y726 HydrophobicContact CD2-CE2 4.19Å; L367-F733 HydrophobicContact CD2-CZ 4.29Å; L367-Q796 HydrophobicContact CD2-CB 3.94Å; L367-Q796 HydrophobicContact CD2-CG 4.39Å
368E71.6Confident87.2Confident98 Ų9833.8 Ų33.846%0.45818%0.177SC..THydrogen-bonded Turntrans-93-7-177.5-62.4-171.2-165.400113.5D366 Q370D366-E368 VanDerWaalsContact C-N 3.26Å; D366-E368 PolarHBondContact O-N 3.38Å; E368-Q370 HydrophobicContact CB-CG 4.01Å; E368-Q370 PolarHBondContact O-N 3.13Å; E368-Q370 PolarHBondContact OE2-NE2 2.88Å
369R71.5Confident87.2Confident175 Ų17532.8 Ų32.866%0.6617%0.17SC*.SBendtrans57.535.2-177.6-57.2-178.9168.4-171.7-7.1113D366 E728D366-R369 PolarHBondContact O-N 2.92Å; D366-R369 VanDerWaalsContact OD1-CA 3.29Å; D366-R369 WeakPolarHBondContact OD1-CA 3.49Å; D366-R369 PolarHBondContact OD1-N 2.82Å; D366-R369 WeakPolarHBondContact OD2-CA 3.35Å; R369-E728 IonicContact CZ-OE1 3.12Å; R369-E728 IonicContact NH2-OE1 3.03Å; R369-E728 PolarHBondContact NH2-OE1 3.46Å
370Q64.7Low87.2Confident90 Ų9032.9 Ų32.942%0.42117%0.172SC..SBendtrans-98.61-178.6-68.8-179.62200112.8D366 E368 Q372D366-Q370 PolarHBondContact OD1-N 3.47Å; D366-Q370 VanDerWaalsContact OD1-N 3.07Å; D366-Q370 PolarHBondContact OD2-N 3.5Å; E368-Q370 HydrophobicContact CB-CG 4.01Å; E368-Q370 PolarHBondContact O-N 3.13Å; E368-Q370 PolarHBondContact OE2-NE2 2.88Å; Q370-Q372 VanDerWaalsContact C-N 3.25Å
371G65.7Low87.1Confident47 Ų4732.5 Ų32.549%0.48517%0.171SC..SBendtrans75.516.2-172.700000113D366D366-G371 WeakPolarHBondContact OD2-CA 3.48Å; D366-G371 PolarHBondContact OD2-N 3.02Å
372Q69.3Low87Confident46 Ų4636.3 Ų36.322%0.21519%0.187CC..  trans-110112.3173.3-171.6179.816.900109.1Q370 N392Q370-Q372 VanDerWaalsContact C-N 3.25Å; Q372-N392 PolarHBondContact NE2-O 3.31Å
373G79.2Confident86.9Confident10 Ų1037 Ų3710%0.10319%0.19CC..PPolyproline II helixtrans-69.2131173.900000111.1S1011G373-S1011 WeakPolarHBondContact CA-O 3.32Å
374Q89.1Confident86.9Confident23 Ų2337.9 Ų37.911%0.10719%0.192CC..EExtended strand (participates in β ladder)trans-97.1131.6163.6-56.7-1782400107.9V364 V365 I390V364-Q374 WeakPolarHBondContact CA-O 3.3Å; V365-Q374 HydrophobicContact CG2-CB 4.22Å; V365-Q374 PolarHBondContact N-O 3.41Å; V365-Q374 PolarHBondContact O-N 3.48Å; Q374-I390 WeakPolarHBondContact CA-O 3.16Å
375L93.5Very high87.2Confident0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-92.1123.6174.2-179.171.9000108.6M362 V364 T377 I390 L1012 L1029 I1037M362-L375 HydrophobicContact CB-CD1 3.94Å; M362-L375 HydrophobicContact CG-CD1 4.05Å; M362-L375 HydrophobicContact SD-CD1 3.93Å; M362-L375 HydrophobicContact SD-CD2 4.3Å; V364-L375 HydrophobicContact CG2-CD1 3.7Å; L375-T377 HydrophobicContact CD2-CG2 3.92Å; L375-T377 HydrophobicContact CG-CG2 3.89Å; L375-I390 HydrophobicContact CB-CB 4.28Å; L375-I390 HydrophobicContact CD2-CD1 4.36Å; L375-I390 PolarHBondContact N-O 3.09Å; L375-I390 PolarHBondContact O-N 3.34Å; L375-L1012 HydrophobicContact CB-CD2 3.63Å; L375-L1029 HydrophobicContact CD1-CD1 4.31Å; L375-I1037 HydrophobicContact CD2-CD1 3.69Å; L375-I1037 HydrophobicContact CD2-CG1 4.2Å; L375-I1037 HydrophobicContact CD2-CG2 4.11Å
376V96.7Very high87.5Confident0 Ų035.8 Ų35.80%018%0.18CC..EExtended strand (participates in β ladder)trans-108116.7173.2-173.20000108.2M362 C363 V365 L387 R388 I389 I724 F733M362-V376 VanDerWaalsContact CA-O 3.28Å; M362-V376 WeakPolarHBondContact CA-O 3.36Å; C363-V376 PolarHBondContact N-O 3.11Å; C363-V376 PolarHBondContact O-N 3.21Å; V365-V376 HydrophobicContact CG2-CG2 3.9Å; V376-L387 HydrophobicContact CG1-CB 4.43Å; V376-R388 CarbonylContact C-O 3.46Å; V376-R388 WeakPolarHBondContact CA-O 3.37Å; V376-I389 HydrophobicContact CG2-CG1 4.48Å; V376-I724 HydrophobicContact CB-CD1 4.27Å; V376-I724 HydrophobicContact CG1-CD1 3.63Å; V376-F733 HydrophobicContact CB-CE1 4.43Å; V376-F733 HydrophobicContact CG2-CE1 4.09Å; V376-F733 HydrophobicContact CG2-CZ 3.93Å
377T98.2Very high88.2Confident0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-107.5140.5-178.6680000111.4I359 M362 L375 S379 L387 R388 I390I359-T377 HydrophobicContact CD1-CG2 4.43Å; I359-T377 HydrophobicContact CG2-CG2 4.15Å; M362-T377 HydrophobicContact CB-CG2 3.98Å; L375-T377 HydrophobicContact CD2-CG2 3.92Å; L375-T377 HydrophobicContact CG-CG2 3.89Å; T377-S379 PolarHBondContact OG1-OG 3.46Å; T377-L387 VanDerWaalsContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CA 3.33Å; T377-R388 PolarHBondContact N-O 2.81Å; T377-R388 PolarHBondContact O-N 2.78Å; T377-R388 WeakPolarHBondContact OG1-CB 3.4Å; T377-I390 HydrophobicContact CG2-CD1 3.97Å
378C98.6Very high89Confident0 Ų032 Ų320%016%0.16CC..EExtended strand (participates in β ladder)trans-79.5110.7158.8-70.20000107.7I359 V360 D361 P721I359-C378 WeakPolarHBondContact CA-O 3.48Å; V360-C378 HydrophobicContact CG2-CB 3.57Å; V360-C378 WeakPolarHBondContact CG2-O 3.26Å; V360-C378 PolarHBondContact N-O 2.85Å; D361-C378 HydrophobicContact CB-CB 4.26Å; D361-C378 PolarHBondContact O-N 2.88Å; C378-P721 HydrophobicContact CB-CB 3.7Å; C378-P721 HydrophobicContact CB-CG 3.89Å
379S98.5Very high90.1Very high0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-125.3151-172.7-730000111.7L356 P358 T377 G385 S386 P721L356-S379 WeakPolarHBondContact O-CB 3.33Å; L356-S379 PolarHBondContact O-OG 3.46Å; P358-S379 VanDerWaalsContact O-CA 3.28Å; P358-S379 WeakPolarHBondContact O-CA 3.46Å; T377-S379 PolarHBondContact OG1-OG 3.46Å; S379-G385 WeakPolarHBondContact O-CA 3.47Å; S379-S386 PolarHBondContact N-O 3.12Å; S379-S386 PolarHBondContact O-N 2.93Å; S379-P721 WeakPolarHBondContact O-CG 3.41Å
380G97.9Very high91Very high3 Ų319.4 Ų19.43%0.03111%0.108CC..  trans77.7179.4175.200000114.1L328 P358L328-G380 WeakPolarHBondContact O-CA 3.49Å; P358-G380 PolarHBondContact O-N 2.96Å; P358-G380 VanDerWaalsContact O-N 3.11Å
381A96.5Very high91.9Very high16 Ų1617.8 Ų17.813%0.13210%0.098CC..  trans-146.3158.6178.400000111.5L328 K383 E384 G385L328-A381 HydrophobicContact CD2-CB 4.23Å; L328-A381 PolarHBondContact O-N 3.35Å; A381-K383 PolarHBondContact O-N 2.84Å; A381-E384 WeakPolarHBondContact O-CB 3.18Å; A381-E384 PolarHBondContact O-N 2.86Å; A381-G385 PolarHBondContact O-N 3.01Å
382F95.6Very high92.4Very high102 Ų10217.5 Ų17.545%0.4479%0.086SC..G310 helixtrans53.4-129.7-178.9-47.8-73.1000110.8I310 L328 E384 G385 Y718 E719 S720 I740I310-F382 HydrophobicContact CD1-CB 4.06Å; I310-F382 HydrophobicContact CD1-CD2 4.09Å; L328-F382 HydrophobicContact CD1-CD2 4.06Å; L328-F382 HydrophobicContact CD1-CE2 4.08Å; F382-E384 PolarHBondContact O-N 2.82Å; F382-G385 PolarHBondContact O-N 2.82Å; F382-Y718 CarbonylContact O-C 3.5Å; F382-E719 CarbonylContact O-C 3.59Å; F382-E719 VanDerWaalsContact O-C 3.29Å; F382-E719 WeakPolarHBondContact O-CA 3.38Å; F382-E719 PolarHBondContact O-N 2.74Å; F382-S720 PolarHBondContact N-OG 3.39Å; F382-I740 HydrophobicContact CD1-CG1 4.35Å
383K95.7Very high92.7Very high23 Ų2315.3 Ų15.310%0.18%0.076CC..G310 helixtrans-65.4-17.4178.275175.1-169.6177.50114E277 G278 E307 T308 I310 A381 G385 Y718E277-K383 WeakPolarHBondContact O-CE 3.41Å; E277-K383 PolarHBondContact O-NZ 3.48Å; G278-K383 PolarHBondContact O-NZ 3.18Å; E307-K383 IonicContact OE2-NZ 3.53Å; E307-K383 PolarHBondContact OE2-NZ 2.88Å; T308-K383 WeakPolarHBondContact O-CE 3.3Å; T308-K383 PolarHBondContact O-NZ 3.01Å; I310-K383 HydrophobicContact CD1-CG 4.15Å; I310-K383 HydrophobicContact CG1-CD 4.47Å; I310-K383 HydrophobicContact CG1-CG 4.2Å; A381-K383 PolarHBondContact O-N 2.84Å; K383-G385 VanDerWaalsContact C-N 3.34Å; K383-Y718 WeakPolarHBondContact O-CA 3.32Å; K383-Y718 WeakPolarHBondContact O-CD1 3.32Å
384E96.7Very high92.7Very high32 Ų3215 Ų1515%0.157%0.072CC..G310 helixtrans-90-3.2179.6-53.2-57.7156.600112.8S309 I310 L328 A381 F382 S386S309-E384 VanDerWaalsContact CA-OE1 3.22Å; S309-E384 WeakPolarHBondContact CA-OE1 3.49Å; I310-E384 HydrophobicContact CB-CG 4.36Å; I310-E384 HydrophobicContact CD1-CG 3.94Å; I310-E384 HydrophobicContact CG1-CG 3.96Å; I310-E384 PolarHBondContact N-OE1 2.92Å; L328-E384 WeakPolarHBondContact O-CB 3.31Å; A381-E384 WeakPolarHBondContact O-CB 3.18Å; A381-E384 PolarHBondContact O-N 2.86Å; F382-E384 PolarHBondContact O-N 2.82Å; E384-S386 PolarHBondContact O-N 2.99Å; E384-S386 PolarHBondContact O-OG 3.42Å
385G98.1Very high92.1Very high1 Ų113.9 Ų13.91%0.017%0.066CC..  trans-59.9129.4179.900000111.9S379 A381 F382 K383 L717 Y718 E719S379-G385 WeakPolarHBondContact O-CA 3.47Å; A381-G385 PolarHBondContact O-N 3.01Å; F382-G385 PolarHBondContact O-N 2.82Å; K383-G385 VanDerWaalsContact C-N 3.34Å; G385-L717 WeakPolarHBondContact O-CA 3.5Å; G385-L717 WeakPolarHBondContact O-CB 3.48Å; G385-L717 PolarHBondContact O-N 3.02Å; G385-Y718 PolarHBondContact O-N 3.43Å; G385-Y718 VanDerWaalsContact O-N 3.11Å; G385-E719 WeakPolarHBondContact CA-O 3.42Å
386S98.4Very high91.6Very high3 Ų315.2 Ų15.22%0.0217%0.074CC..EExtended strand (participates in β ladder)trans-152.2157.7-173.751.70000111.7S379 E384 R388 V715S379-S386 PolarHBondContact N-O 3.12Å; S379-S386 PolarHBondContact O-N 2.93Å; E384-S386 PolarHBondContact O-N 2.99Å; E384-S386 PolarHBondContact O-OG 3.42Å; S386-R388 PolarHBondContact OG-NE 3.4Å; S386-R388 PolarHBondContact OG-NH2 3.04Å; S386-V715 CarbonylContact C-O 3.57Å; S386-V715 VanDerWaalsContact CA-O 3.28Å; S386-V715 WeakPolarHBondContact CA-O 3.39Å; S386-V715 WeakPolarHBondContact CB-O 3.41Å
387L98.4Very high90.8Very high0 Ų020.4 Ų20.40%010%0.098CC..EExtended strand (participates in β ladder)trans-92.6136.5160.7-55.2178.6000109V376 T377 V715 L717 P721 I724 V735 I794V376-L387 HydrophobicContact CG1-CB 4.43Å; T377-L387 VanDerWaalsContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CA 3.33Å; L387-V715 HydrophobicContact CB-CB 4.25Å; L387-V715 PolarHBondContact N-O 3.12Å; L387-V715 PolarHBondContact O-N 3.03Å; L387-L717 HydrophobicContact CD2-CD1 4.1Å; L387-L717 HydrophobicContact CG-CD1 4Å; L387-L717 HydrophobicContact CG-CD2 4.46Å; L387-L717 HydrophobicContact CG-CG 4.37Å; L387-P721 HydrophobicContact CD2-CB 4.48Å; L387-I724 HydrophobicContact CD2-CD1 4.31Å; L387-V735 HydrophobicContact CD1-CG2 4.21Å; L387-V735 HydrophobicContact CD2-CG1 4.42Å; L387-V735 HydrophobicContact CD2-CG2 4.32Å; L387-I794 HydrophobicContact CD1-CD1 3.79Å
388R96.1Very high90.3Very high4 Ų426.2 Ų26.22%0.01513%0.125CC..EExtended strand (participates in β ladder)trans-113.9124.6173.3-49.2-72.3-179.614510.9109.1D330 N355 L356 V376 T377 S386 I390 I712 R713 T714D330-R388 IonicContact OD1-CZ 3.79Å; D330-R388 VanDerWaalsContact OD1-CZ 3.26Å; D330-R388 IonicContact OD1-NH1 3.86Å; D330-R388 PolarHBondContact OD1-NH1 3.11Å; D330-R388 IonicContact OD1-NH2 3.94Å; D330-R388 PolarHBondContact OD1-NH2 2.82Å; D330-R388 IonicContact OD2-CZ 3.97Å; D330-R388 IonicContact OD2-NH1 3.5Å; D330-R388 PolarHBondContact OD2-NH1 2.9Å; D330-R388 IonicContact OD2-NH2 2.83Å; D330-R388 PolarHBondContact OD2-NH2 2.74Å; N355-R388 PolarHBondContact O-NH2 2.89Å; L356-R388 HydrophobicContact CD2-CB 3.71Å; L356-R388 HydrophobicContact CD2-CG 3.6Å; V376-R388 CarbonylContact C-O 3.46Å; V376-R388 WeakPolarHBondContact CA-O 3.37Å; T377-R388 PolarHBondContact N-O 2.81Å; T377-R388 PolarHBondContact O-N 2.78Å; T377-R388 WeakPolarHBondContact OG1-CB 3.4Å; S386-R388 PolarHBondContact OG-NE 3.4Å; S386-R388 PolarHBondContact OG-NH2 3.04Å; R388-I390 HydrophobicContact CB-CD1 4.44Å; R388-I390 HydrophobicContact CB-CG1 4.31Å; R388-I712 HydrophobicContact CB-CG2 4.22Å; R388-R713 WeakPolarHBondContact CA-O 3.4Å; R388-T714 PolarHBondContact NH1-OG1 3.02Å
389I93.5Very high89.8Confident8 Ų831.2 Ų31.24%0.04115%0.148CC..EExtended strand (participates in β ladder)trans-101.9114.8177.7-54.982.7000107.3V376 I712 R713 V715 F799V376-I389 HydrophobicContact CG2-CG1 4.48Å; I389-I712 WeakPolarHBondContact O-CA 3.14Å; I389-R713 HydrophobicContact CB-CB 4.26Å; I389-R713 HydrophobicContact CD1-CB 4.46Å; I389-R713 HydrophobicContact CD1-CG 4.37Å; I389-R713 WeakPolarHBondContact CD1-O 3.31Å; I389-R713 PolarHBondContact N-O 3.15Å; I389-R713 PolarHBondContact O-N 2.86Å; I389-V715 HydrophobicContact CD1-CB 4.35Å; I389-V715 HydrophobicContact CD1-CG2 3.5Å; I389-V715 VanDerWaalsContact CD1-CG2 3.5Å; I389-F799 HydrophobicContact CD1-CD1 4.31Å; I389-F799 HydrophobicContact CD1-CE1 3.96Å; I389-F799 HydrophobicContact CD1-CE2 4.29Å; I389-F799 HydrophobicContact CD1-CZ 3.96Å; I389-F799 HydrophobicContact CG1-CE1 3.76Å; I389-F799 HydrophobicContact CG1-CE2 4.06Å; I389-F799 HydrophobicContact CG1-CZ 3.47Å; I389-F799 VanDerWaalsContact CG1-CZ 3.47Å
390I91.2Very high89.4Confident0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-117.5123.4-169.1-52175.3000108L356 Q374 L375 T377 R388 L710 I712 I1037L356-I390 HydrophobicContact CD1-CD1 3.72Å; L356-I390 HydrophobicContact CD2-CD1 3.99Å; Q374-I390 WeakPolarHBondContact CA-O 3.16Å; L375-I390 HydrophobicContact CB-CB 4.28Å; L375-I390 HydrophobicContact CD2-CD1 4.36Å; L375-I390 PolarHBondContact N-O 3.09Å; L375-I390 PolarHBondContact O-N 3.34Å; T377-I390 HydrophobicContact CG2-CD1 3.97Å; R388-I390 HydrophobicContact CB-CD1 4.44Å; R388-I390 HydrophobicContact CB-CG1 4.31Å; I390-L710 HydrophobicContact CG2-CB 4.29Å; I390-L710 HydrophobicContact CG2-CD1 4.16Å; I390-I712 HydrophobicContact CG1-CG1 4.28Å; I390-I712 HydrophobicContact CG1-CG2 4.42Å; I390-I712 HydrophobicContact CG2-CG1 4.37Å; I390-I1037 HydrophobicContact CD1-CD1 3.36Å
391R83.1Confident89.1Confident55 Ų5534.8 Ų34.821%0.20817%0.174CC..EExtended strand (participates in β ladder)trans-132.6150.9178.764.9-176.6175.4175.31.2110.3N672 L710 H711R391-N672 VanDerWaalsContact CZ-ND2 3.3Å; R391-N672 PolarHBondContact NE-ND2 2.95Å; R391-L710 CarbonylContact O-C 3.55Å; R391-L710 WeakPolarHBondContact O-CA 3.3Å; R391-H711 HydrophobicContact CG-CB 3.81Å; R391-H711 PolarHBondContact N-O 3.12Å; R391-H711 PolarHBondContact NE-CE1 3.21Å; R391-H711 VanDerWaalsContact NE-CG 3.33Å; R391-H711 PolarHBondContact NE-ND1 3.09Å; R391-H711 PolarHBondContact NH2-CE1 3.21Å; R391-H711 PolarHBondContact NH2-ND1 3.34Å; R391-H711 PolarHBondContact NH2-NE2 3.19Å; R391-H711 PolarHBondContact O-N 3.39Å
392N77.1Confident88.9Confident41 Ų4136.3 Ų36.322%0.21918%0.179CC..EExtended strand (participates in β ladder)trans-80.6130.7171.8-174-10.8000110.2Q372 N672 K709 L710 L1012Q372-N392 PolarHBondContact NE2-O 3.31Å; N392-N672 PolarHBondContact O-OD1 3.35Å; N392-K709 PolarHBondContact OD1-O 2.78Å; N392-K709 VanDerWaalsContact OD1-O 3.12Å; N392-L710 HydrophobicContact CB-CD2 4.17Å; N392-L1012 WeakPolarHBondContact CB-O 3.21Å
393G75.3Confident88.8Confident1 Ų137.9 Ų37.91%0.0119%0.192CC..SBendtrans121.1164.4179.300000114.4N670 N672 K709 H711G393-N670 CarbonylContact C-O 3.59Å; G393-N670 WeakPolarHBondContact CA-O 3.4Å; G393-N672 PolarHBondContact O-ND2 2.61Å; G393-N672 VanDerWaalsContact O-ND2 3.13Å; G393-K709 PolarHBondContact N-O 2.96Å; G393-H711 WeakPolarHBondContact O-CB 3.48Å; G393-H711 PolarHBondContact O-N 3.17Å
394I78.3Confident88.6Confident2 Ų238 Ų381%0.0119%0.194CC..BIsolated β-bridgetrans-84.7132.3-178.2-55.4166.3000110.2V658 N670 V671 N672 I704 D705 I707I394-V658 HydrophobicContact CD1-CB 3.79Å; I394-V658 HydrophobicContact CD1-CG1 4.32Å; I394-V658 HydrophobicContact CD1-CG2 4.14Å; I394-N670 PolarHBondContact N-O 3.04Å; I394-V671 CarbonylContact O-C 3.51Å; I394-V671 WeakPolarHBondContact O-CA 3.29Å; I394-N672 VanDerWaalsContact C-ND2 3.28Å; I394-N672 PolarHBondContact O-N 2.94Å; I394-N672 PolarHBondContact O-ND2 3.13Å; I394-N672 VanDerWaalsContact O-ND2 3.11Å; I394-I704 HydrophobicContact CG2-CD1 3.95Å; I394-I704 HydrophobicContact CG2-CG1 3.63Å; I394-D705 HydrophobicContact CG2-CB 4.36Å; I394-I707 HydrophobicContact CD1-CB 4.46Å; I394-I707 HydrophobicContact CD1-CG1 4.42Å; I394-I707 HydrophobicContact CD1-CG2 3.87Å
395G77.4Confident88.4Confident0 Ų040.7 Ų40.70%021%0.214CC..  trans-81.4157.3174.200000113.6D705G395-D705 WeakPolarHBondContact CA-OD2 3.48Å; G395-D705 PolarHBondContact N-OD2 3.37Å; G395-D705 PolarHBondContact O-N 2.91Å; G395-D705 VanDerWaalsContact O-N 3.09Å
396I81.7Confident88.2Confident29 Ų2942.3 Ų42.315%0.14923%0.231CC..EExtended strand (participates in β ladder)trans-121.6125.9167.6-62.6-66.9000106.8V671 L673 L693 T703 I704I396-V671 HydrophobicContact CD1-CG1 3.91Å; I396-V671 HydrophobicContact CG1-CG1 3.44Å; I396-V671 VanDerWaalsContact CG1-CG1 3.44Å; I396-L673 HydrophobicContact CB-CD1 4.41Å; I396-L673 HydrophobicContact CG1-CD1 3.84Å; I396-L673 HydrophobicContact CG1-CG 4.18Å; I396-L693 HydrophobicContact CD1-CD1 4.5Å; I396-L693 HydrophobicContact CG1-CD1 4.42Å; I396-L693 HydrophobicContact CG2-CD1 4.26Å; I396-T703 WeakPolarHBondContact CA-O 3.21Å; I396-I704 HydrophobicContact CD1-CB 3.74Å; I396-I704 HydrophobicContact CD1-CD1 4.09Å; I396-I704 HydrophobicContact CD1-CG1 3.72Å
397H81.9Confident88.1Confident109 Ų10942.5 Ų42.551%0.50523%0.231SC..EExtended strand (participates in β ladder)trans-84.4108.4168.2-71.1-61.4000109.3H399 G702 T703 D705H397-H399 PolarHBondContact O-N 2.84Å; H397-G702 CarbonylContact O-C 3.54Å; H397-G702 WeakPolarHBondContact O-CA 3.2Å; H397-T703 PolarHBondContact N-O 2.98Å; H397-T703 PolarHBondContact O-N 2.65Å; H397-D705 IonicContact CD2-OD1 2.94Å; H397-D705 PolarHBondContact CD2-OD1 3.41Å; H397-D705 IonicContact CE1-OD1 3.74Å; H397-D705 IonicContact CG-OD1 2.67Å; H397-D705 IonicContact NE2-OD1 2.71Å; H397-D705 PolarHBondContact NE2-OD1 3.09Å; H397-D705 VanDerWaalsContact NE2-OD1 3.12Å
398E87.5Confident87.9Confident122 Ų12246.5 Ų46.557%0.5725%0.249SC*.EExtended strand (participates in β ladder)trans-74.9119.3176.2174.7170.7151.700110.8S401 T700E398-S401 WeakPolarHBondContact OE1-CB 3.47Å; E398-T700 HydrophobicContact CB-CG2 4.21Å; E398-T700 HydrophobicContact CG-CG2 3.72Å
399H87.7Confident87.8Confident104 Ų10446.4 Ų46.448%0.48125%0.249SC..EExtended strand (participates in β ladder)trans-97.1-38.9176-64.6-53.5000111.8H397 Y687 I701 T703H397-H399 PolarHBondContact O-N 2.84Å; H399-Y687 HydrophobicContact CB-CD1 4.17Å; H399-Y687 HydrophobicContact CB-CE1 4.11Å; H399-I701 PolarHBondContact N-O 3.43Å; H399-T703 VanDerWaalsContact NE2-CG2 3.31Å; H399-T703 WeakPolarHBondContact NE2-CG2 3.41Å; H399-T703 PolarHBondContact NE2-OG1 2.82Å
400A89.9Confident87.9Confident22 Ų2246.3 Ų46.318%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-146.3150.6177.600000111.2Y687 T700 I701A400-Y687 HydrophobicContact CB-CE1 4.08Å; A400-Y687 WeakPolarHBondContact CB-OH 3.37Å; A400-T700 CarbonylContact O-C 3.6Å; A400-T700 WeakPolarHBondContact O-CA 3.14Å; A400-I701 HydrophobicContact CB-CB 4.32Å; A400-I701 PolarHBondContact N-O 2.81Å; A400-I701 PolarHBondContact O-N 3.02Å
401S91.4Very high88.2Confident57 Ų5747.5 Ų47.540%0.39925%0.253SS..EExtended strand (participates in β ladder)trans-141.7130.8175.4-177.30000109.8E398 L699E398-S401 WeakPolarHBondContact OE1-CB 3.47Å; S401-L699 CarbonylContact C-O 3.59Å; S401-L699 WeakPolarHBondContact CA-O 3.48Å
402I93.5Very high88.9Confident48 Ų4846.2 Ų46.225%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-127.8124.3-173.6-47.9176.2000108L404 V443 T698 L699I402-L404 HydrophobicContact CB-CD1 4.25Å; I402-L404 HydrophobicContact CG2-CD1 3.69Å; I402-L404 HydrophobicContact CG2-CG 3.84Å; I402-L404 PolarHBondContact O-N 3.34Å; I402-V443 HydrophobicContact CD1-CB 4.2Å; I402-V443 HydrophobicContact CD1-CG1 4.05Å; I402-V443 HydrophobicContact CD1-CG2 4.25Å; I402-T698 CarbonylContact O-C 3.47Å; I402-T698 WeakPolarHBondContact O-CA 3.38Å; I402-L699 HydrophobicContact CB-CB 4.44Å; I402-L699 HydrophobicContact CD1-CD2 4.42Å; I402-L699 PolarHBondContact N-O 3.18Å; I402-L699 PolarHBondContact O-N 2.89Å
403D92.3Very high89.7Confident134 Ų13444.3 Ų44.372%0.71724%0.242SC*.  trans-72.490.5178.2-70-32.7000111.1T698D403-T698 WeakPolarHBondContact OD1-CG2 3.39Å
404L91.1Very high90.6Very high27 Ų2748.7 Ų48.714%0.14126%0.258CS..  trans-130.386.1-179.2-75.7169.6000110.7I402 I407 L427 L436 S697 L699I402-L404 HydrophobicContact CB-CD1 4.25Å; I402-L404 HydrophobicContact CG2-CD1 3.69Å; I402-L404 HydrophobicContact CG2-CG 3.84Å; I402-L404 PolarHBondContact O-N 3.34Å; L404-I407 HydrophobicContact CB-CD1 4.05Å; L404-I407 WeakPolarHBondContact O-CD1 3.23Å; L404-L427 HydrophobicContact CD1-CD1 3.87Å; L404-L436 HydrophobicContact CD1-CD1 4.27Å; L404-S697 CarbonylContact C-O 3.59Å; L404-S697 VanDerWaalsContact C-O 3.3Å; L404-S697 PolarHBondContact N-O 3.24Å; L404-L699 HydrophobicContact CB-CB 4.47Å; L404-L699 HydrophobicContact CD1-CB 4.41Å; L404-L699 HydrophobicContact CD1-CD2 4.1Å
405P93.2Very high91.2Very high87 Ų8749.2 Ų49.257%0.56526%0.262SS*.THydrogen-bonded Turntrans-74.5150.6-17829.3-35000112.7F429 N696P405-F429 WeakPolarHBondContact O-CE1 3.37Å; P405-N696 WeakPolarHBondContact CA-O 3.06Å
406G93Very high91.7Very high36 Ų3651.8 Ų51.837%0.37128%0.276SS..THydrogen-bonded Turntrans84.416.2169.100000116.2F429 N696G406-F429 WeakPolarHBondContact O-CD1 3.27Å; G406-N696 PolarHBondContact N-O 2.85Å
407I95.9Very high91.8Very high6 Ų652.4 Ų52.43%0.03128%0.281CS..  trans-57.9135.3173.8-64.2166.7000110.4L404 L410 L427 F429 Y678 A694 L699L404-I407 HydrophobicContact CB-CD1 4.05Å; L404-I407 WeakPolarHBondContact O-CD1 3.23Å; I407-L410 HydrophobicContact CG2-CD2 4.38Å; I407-L410 HydrophobicContact CG2-CG 3.98Å; I407-L427 HydrophobicContact CD1-CD2 3.94Å; I407-L427 HydrophobicContact CG1-CD2 4.27Å; I407-L427 HydrophobicContact CG2-CD2 4.47Å; I407-F429 HydrophobicContact CG1-CE1 3.77Å; I407-F429 HydrophobicContact CG1-CZ 3.96Å; I407-Y678 HydrophobicContact CG2-CD2 4.49Å; I407-Y678 VanDerWaalsContact O-CE2 3.32Å; I407-Y678 WeakPolarHBondContact O-CE2 3.41Å; I407-A694 HydrophobicContact CB-CB 4.06Å; I407-A694 HydrophobicContact CD1-CB 3.71Å; I407-A694 HydrophobicContact CG1-CB 4.49Å; I407-A694 HydrophobicContact CG2-CB 3.91Å; I407-L699 HydrophobicContact CD1-CB 4Å
408K94.4Very high92.1Very high85 Ų8553.8 Ų53.837%0.3729%0.292SS..  trans-122.3-0.4179.6-65-57.8179.1-165.80113.9S428 V430 Y678K408-S428 WeakPolarHBondContact CA-O 3.3Å; K408-S428 PolarHBondContact N-O 2.85Å; K408-V430 HydrophobicContact CG-CG2 4.09Å; K408-Y678 VanDerWaalsContact C-CZ 3.48Å; K408-Y678 VanDerWaalsContact CA-CE2 3.5Å; K408-Y678 HydrophobicContact CD-CE2 4.42Å; K408-Y678 WeakPolarHBondContact O-CE1 3.4Å; K408-Y678 PolarHBondContact O-OH 2.99Å
409G95.2Very high92Very high2 Ų252.1 Ų52.12%0.02128%0.281CS..EExtended strand (participates in β ladder)trans179.8149.917600000111.7S428G409-S428 PolarHBondContact N-O 2.88Å; G409-S428 PolarHBondContact O-N 2.94Å
410L96.2Very high91.9Very high5 Ų556.1 Ų56.13%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-138.1128.1-175.8-77.8166000108.8I407 L425 V426 L427 C680 A694 L699I407-L410 HydrophobicContact CG2-CD2 4.38Å; I407-L410 HydrophobicContact CG2-CG 3.98Å; L410-L425 HydrophobicContact CD2-CD1 4.36Å; L410-L425 HydrophobicContact CD2-CD2 4.34Å; L410-L425 HydrophobicContact CD2-CG 4.46Å; L410-V426 WeakPolarHBondContact CA-O 3.04Å; L410-L427 HydrophobicContact CD2-CD2 3.17Å; L410-L427 HydrophobicContact CD2-CG 4.49Å; L410-L427 HydrophobicContact CG-CD2 4.34Å; L410-C680 HydrophobicContact CB-CB 4.11Å; L410-A694 HydrophobicContact CD1-CB 3.6Å; L410-A694 HydrophobicContact CG-CB 4.47Å; L410-L699 HydrophobicContact CD1-CD1 4.25Å; L410-L699 HydrophobicContact CD2-CD1 3.82Å
411W97.1Very high92Very high25 Ų2556.5 Ų56.510%0.09530%0.3CS..EExtended strand (participates in β ladder)trans-145.6132.2173.3-60.8-92.2000111.1V426 T457 F458 F459 C460W411-V426 PolarHBondContact N-O 3Å; W411-V426 VanDerWaalsContact N-O 3.12Å; W411-V426 PolarHBondContact O-N 3.33Å; W411-T457 HydrophobicContact CH2-CG2 4.49Å; W411-T457 HydrophobicContact CZ3-CG2 4.13Å; W411-F458 VanDerWaalsContact CZ2-O 3.22Å; W411-F458 WeakPolarHBondContact CZ2-O 3.44Å; W411-F459 AromaticContact NE1-CD2 3.9Å; W411-C460 VanDerWaalsContact CB-SG 3.58Å
412P96.2Very high92.1Very high29 Ų2954.7 Ų54.719%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-75.4151.1167.636.3-38000109.7D422 T424 P681 L682P412-D422 HydrophobicContact CB-CB 4.05Å; P412-T424 CarbonylContact C-O 3.54Å; P412-T424 WeakPolarHBondContact CA-O 3.48Å; P412-P681 WeakPolarHBondContact CG-O 3.49Å; P412-L682 HydrophobicContact CB-CD1 4.37Å
413L95.3Very high92.1Very high0 Ų052.7 Ų52.70%028%0.276CS..EExtended strand (participates in β ladder)trans-136.3149.3171-65.6179.8000110.1D423 T424 V426 L448 F451 G461 N462 L468L413-D423 PolarHBondContact O-N 2.79Å; L413-D423 VanDerWaalsContact O-N 3.14Å; L413-T424 HydrophobicContact CB-CG2 4.39Å; L413-T424 PolarHBondContact N-O 2.9Å; L413-T424 PolarHBondContact O-N 3.46Å; L413-T424 VanDerWaalsContact O-N 3.12Å; L413-V426 HydrophobicContact CD1-CG2 3.4Å; L413-V426 VanDerWaalsContact CD1-CG2 3.4Å; L413-V426 HydrophobicContact CG-CG2 3.98Å; L413-L448 HydrophobicContact CD1-CD2 3.91Å; L413-F451 HydrophobicContact CD1-CE1 4.22Å; L413-F451 HydrophobicContact CD1-CZ 4.07Å; L413-G461 VanDerWaalsContact CD2-C 3.42Å; L413-N462 WeakPolarHBondContact CA-OD1 3.01Å; L413-L468 HydrophobicContact CD2-CD2 4.46Å
414R93.6Very high92.2Very high94 Ų9446.5 Ų46.536%0.35524%0.243SC..  trans-97.8100.3159.6-59.1-170.6-66.5-85.40.5108.6E420 T421 D422 N462 Q481R414-E420 WeakPolarHBondContact CD-O 3.41Å; R414-T421 WeakPolarHBondContact CG-O 3.38Å; R414-D422 IonicContact NH1-OD1 3.74Å; R414-N462 PolarHBondContact N-OD1 2.79Å; R414-N462 PolarHBondContact O-ND2 3.12Å; R414-Q481 PolarHBondContact O-NE2 2.82Å
415S90.2Very high92.5Very high12 Ų1245.3 Ų45.38%0.08424%0.236CC..  trans-75.1-33.3-17887.90000112.1D423 T424 K484S415-D423 WeakPolarHBondContact CB-OD1 3.42Å; S415-D423 WeakPolarHBondContact CB-OD2 3.47Å; S415-D423 PolarHBondContact N-OD1 2.83Å; S415-D423 PolarHBondContact N-OD2 3.28Å; S415-D423 PolarHBondContact OG-OD1 2.86Å; S415-D423 PolarHBondContact OG-OD2 3.48Å; S415-T424 WeakPolarHBondContact CB-OG1 3.43Å; S415-K484 PolarHBondContact OG-NZ 2.82Å
416D88.2Confident92.7Very high55 Ų5541.1 Ų41.129%0.29421%0.209SC..SBendtrans-94.3126.9174.9-172-19.4000110.6N418 R419 D423D416-N418 PolarHBondContact O-N 2.63Å; D416-N418 WeakPolarHBondContact OD1-CB 3.17Å; D416-N418 PolarHBondContact OD1-N 3.4Å; D416-N418 PolarHBondContact OD1-ND2 3.2Å; D416-R419 HydrophobicContact CB-CG 4.17Å; D416-R419 PolarHBondContact O-N 3.45Å; D416-D423 PolarHBondContact N-OD2 3.09Å
417P84.6Confident92.9Very high41 Ų4139.4 Ų39.427%0.26619%0.192SC..THydrogen-bonded Turntrans-65-18176.227.8-35.9000114Q466P417-Q466 HydrophobicContact CB-CG 4.37Å
418N86.8Confident92.9Very high138 Ų13839.1 Ų39.174%0.73819%0.19SC*.THydrogen-bonded Turntrans-86.8-8.5-178-56.3-62.5000113.9D416D416-N418 PolarHBondContact O-N 2.63Å; D416-N418 WeakPolarHBondContact OD1-CB 3.17Å; D416-N418 PolarHBondContact OD1-N 3.4Å; D416-N418 PolarHBondContact OD1-ND2 3.2Å
419R86.2Confident93Very high88 Ų8835.7 Ų35.733%0.33218%0.175SC..  trans-91.1140.1178.3-72.1-170.9176.4-153.12.2111.5D416D416-R419 HydrophobicContact CB-CG 4.17Å; D416-R419 PolarHBondContact O-N 3.45Å
420E86Confident92.9Very high187 Ų18740.9 Ų40.987%0.87421%0.206SC*.SBendtrans-88.6-27.9172.1-64-171.7167.400112.1R414R414-E420 WeakPolarHBondContact CD-O 3.41Å
421T91.2Very high92.7Very high30 Ų3042.7 Ų42.718%0.18423%0.226CC..SBendtrans-95.2157.6178.949.50000112.2R414 N683 D685R414-T421 WeakPolarHBondContact CG-O 3.38Å; T421-N683 WeakPolarHBondContact CB-O 3.16Å; T421-D685 WeakPolarHBondContact CB-OD1 3.5Å; T421-D685 PolarHBondContact OG1-OD1 3.37Å
422D93.8Very high92.7Very high19 Ų1945 Ų4510%0.10224%0.238CC..  trans-69.3129.4175.8-56.6-42.4000110P412 R414 L682 N683 S684P412-D422 HydrophobicContact CB-CB 4.05Å; R414-D422 IonicContact NH1-OD1 3.74Å; D422-L682 HydrophobicContact CB-CD1 4.13Å; D422-N683 PolarHBondContact N-O 2.92Å; D422-N683 PolarHBondContact OD2-N 3.17Å; D422-N683 VanDerWaalsContact OD2-N 3.11Å; D422-S684 WeakPolarHBondContact O-CB 3.45Å
423D93.7Very high92.7Very high7 Ų744 Ų444%0.03723%0.232CC..  trans-114.1-6.8-177.868.6-3.7000112.9L413 S415 D416 L438L413-D423 PolarHBondContact O-N 2.79Å; L413-D423 VanDerWaalsContact O-N 3.14Å; S415-D423 WeakPolarHBondContact CB-OD1 3.42Å; S415-D423 WeakPolarHBondContact CB-OD2 3.47Å; S415-D423 PolarHBondContact N-OD1 2.83Å; S415-D423 PolarHBondContact N-OD2 3.28Å; S415-D423 PolarHBondContact OG-OD1 2.86Å; S415-D423 PolarHBondContact OG-OD2 3.48Å; D416-D423 PolarHBondContact N-OD2 3.09Å; D423-L438 PolarHBondContact O-N 2.84Å
424T95.1Very high92.7Very high4 Ų448.2 Ų48.23%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-143.6136.4-169.8-56.70000110.3P412 L413 S415 V426 V435 L436P412-T424 CarbonylContact C-O 3.54Å; P412-T424 WeakPolarHBondContact CA-O 3.48Å; L413-T424 HydrophobicContact CB-CG2 4.39Å; L413-T424 PolarHBondContact N-O 2.9Å; L413-T424 PolarHBondContact O-N 3.46Å; L413-T424 VanDerWaalsContact O-N 3.12Å; S415-T424 WeakPolarHBondContact CB-OG1 3.43Å; T424-V426 HydrophobicContact CG2-CG2 4.36Å; T424-V435 HydrophobicContact CG2-CG1 3.22Å; T424-L436 CarbonylContact C-O 3.55Å; T424-L436 VanDerWaalsContact CA-O 3.27Å; T424-L436 WeakPolarHBondContact CA-O 3.41Å
425L96.2Very high92.8Very high1 Ų144.1 Ų44.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-118.1119.5172.9-175.167.8000109.9L410 L436 C680 A692 L699L410-L425 HydrophobicContact CD2-CD1 4.36Å; L410-L425 HydrophobicContact CD2-CD2 4.34Å; L410-L425 HydrophobicContact CD2-CG 4.46Å; L425-L436 HydrophobicContact CB-CB 4.38Å; L425-L436 PolarHBondContact N-O 3.26Å; L425-L436 PolarHBondContact O-N 2.57Å; L425-C680 VanDerWaalsContact CD1-SG 3.59Å; L425-A692 HydrophobicContact CD1-CB 4.45Å; L425-A692 HydrophobicContact CD2-CB 4.36Å; L425-L699 HydrophobicContact CD2-CD2 3.9Å
426V97.3Very high93.1Very high0 Ų044.2 Ų44.20%023%0.233CC..EExtended strand (participates in β ladder)trans-97.3126.8179-177.90000110.5L410 W411 L413 T424 T433 V435L410-V426 WeakPolarHBondContact CA-O 3.04Å; W411-V426 PolarHBondContact N-O 3Å; W411-V426 VanDerWaalsContact N-O 3.12Å; W411-V426 PolarHBondContact O-N 3.33Å; L413-V426 HydrophobicContact CD1-CG2 3.4Å; L413-V426 VanDerWaalsContact CD1-CG2 3.4Å; L413-V426 HydrophobicContact CG-CG2 3.98Å; T424-V426 HydrophobicContact CG2-CG2 4.36Å; V426-T433 HydrophobicContact CG1-CG2 3.53Å; V426-V435 HydrophobicContact CG2-CG1 4.36Å; V426-V435 HydrophobicContact CG2-CG2 4.27Å
427L97Very high93.3Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-111.1119.6-179.2-62.1169000110L404 I407 L410 F429 T433 R434 L436 L699L404-L427 HydrophobicContact CD1-CD1 3.87Å; I407-L427 HydrophobicContact CD1-CD2 3.94Å; I407-L427 HydrophobicContact CG1-CD2 4.27Å; I407-L427 HydrophobicContact CG2-CD2 4.47Å; L410-L427 HydrophobicContact CD2-CD2 3.17Å; L410-L427 HydrophobicContact CD2-CG 4.49Å; L410-L427 HydrophobicContact CG-CD2 4.34Å; L427-F429 HydrophobicContact CB-CD2 4.4Å; L427-F429 HydrophobicContact CB-CE2 3.55Å; L427-F429 HydrophobicContact CB-CZ 4.06Å; L427-F429 HydrophobicContact CD1-CE2 4.44Å; L427-F429 HydrophobicContact CD1-CZ 4.36Å; L427-T433 CarbonylContact O-C 3.56Å; L427-T433 WeakPolarHBondContact O-CA 3.43Å; L427-R434 HydrophobicContact CB-CB 4.38Å; L427-R434 PolarHBondContact N-O 3.5Å; L427-R434 PolarHBondContact O-N 3.06Å; L427-L436 HydrophobicContact CD1-CD1 3.49Å; L427-L436 VanDerWaalsContact CD1-CD1 3.49Å; L427-L436 HydrophobicContact CD1-CD2 4.47Å; L427-L436 HydrophobicContact CD1-CG 3.8Å; L427-L436 HydrophobicContact CG-CD1 4.37Å; L427-L699 HydrophobicContact CD2-CD2 4.11Å
428S96.8Very high93.7Very high0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-96.5138.2174.4-178.40000110.6K408 G409 Q456 T457K408-S428 WeakPolarHBondContact CA-O 3.3Å; K408-S428 PolarHBondContact N-O 2.85Å; G409-S428 PolarHBondContact N-O 2.88Å; G409-S428 PolarHBondContact O-N 2.94Å; S428-Q456 VanDerWaalsContact OG-CG 3.28Å; S428-Q456 WeakPolarHBondContact OG-CG 3.17Å; S428-T457 WeakPolarHBondContact CB-O 3.37Å; S428-T457 PolarHBondContact OG-N 3.1Å; S428-T457 VanDerWaalsContact OG-N 3.11Å; S428-T457 PolarHBondContact OG-O 3.24Å
429F96.3Very high93.8Very high12 Ų1240.9 Ų40.95%0.05321%0.211CC..EExtended strand (participates in β ladder)trans-131.3174.8175.2-57.8-98.7000109.3P405 G406 I407 L427 G431 Q432 R434 Q456P405-F429 WeakPolarHBondContact O-CE1 3.37Å; G406-F429 WeakPolarHBondContact O-CD1 3.27Å; I407-F429 HydrophobicContact CG1-CE1 3.77Å; I407-F429 HydrophobicContact CG1-CZ 3.96Å; L427-F429 HydrophobicContact CB-CD2 4.4Å; L427-F429 HydrophobicContact CB-CE2 3.55Å; L427-F429 HydrophobicContact CB-CZ 4.06Å; L427-F429 HydrophobicContact CD1-CE2 4.44Å; L427-F429 HydrophobicContact CD1-CZ 4.36Å; F429-G431 PolarHBondContact O-N 3.35Å; F429-Q432 CarbonylContact C-O 3.5Å; F429-Q432 HydrophobicContact CB-CG 3.56Å; F429-Q432 HydrophobicContact CD2-CG 4.12Å; F429-Q432 HydrophobicContact CG-CG 4.12Å; F429-Q432 PolarHBondContact N-O 2.93Å; F429-Q432 PolarHBondContact O-N 3.04Å; F429-Q432 VanDerWaalsContact O-O 3.07Å; F429-R434 HydrophobicContact CD2-CG 4.24Å; F429-R434 HydrophobicContact CE2-CB 4.02Å; F429-R434 HydrophobicContact CE2-CG 3.84Å; F429-Q456 WeakPolarHBondContact O-CB 3.5Å; F429-Q456 VanDerWaalsContact O-CG 3.3Å; F429-Q456 WeakPolarHBondContact O-CG 3.13Å
430V93.8Very high93.8Very high111 Ų11138.1 Ų38.167%0.67321%0.21SC*.THydrogen-bonded Turntrans-65.4107.8175.2-177.70000109.6K408 Q432K408-V430 HydrophobicContact CG-CG2 4.09Å; V430-Q432 VanDerWaalsContact C-N 3.33Å; V430-Q432 PolarHBondContact O-N 2.89Å
431G92.1Very high93.8Very high43 Ų4336.5 Ų36.544%0.44320%0.202SC..THydrogen-bonded Turntrans75.611.5176.900000115.8F429 D454F429-G431 PolarHBondContact O-N 3.35Å; G431-D454 CarbonylContact O-C 3.54Å
432Q95.4Very high93.7Very high74 Ų7441 Ų4135%0.34622%0.221SC..EExtended strand (participates in β ladder)trans-151.5156.7174.367.2-177.616.300111.2F429 V430 D453 Q455F429-Q432 CarbonylContact C-O 3.5Å; F429-Q432 HydrophobicContact CB-CG 3.56Å; F429-Q432 HydrophobicContact CD2-CG 4.12Å; F429-Q432 HydrophobicContact CG-CG 4.12Å; F429-Q432 PolarHBondContact N-O 2.93Å; F429-Q432 PolarHBondContact O-N 3.04Å; F429-Q432 VanDerWaalsContact O-O 3.07Å; V430-Q432 VanDerWaalsContact C-N 3.33Å; V430-Q432 PolarHBondContact O-N 2.89Å; Q432-D453 CarbonylContact C-O 3.3Å; Q432-D453 WeakPolarHBondContact CA-O 3.44Å; Q432-Q455 CarbonylContact C-O 3.58Å; Q432-Q455 VanDerWaalsContact C-O 3.3Å
433T96.6Very high93.5Very high9 Ų942.2 Ų42.26%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-128.3129.6172.6-64.10000108.6V426 L427 D453 Q455 T457V426-T433 HydrophobicContact CG1-CG2 3.53Å; L427-T433 CarbonylContact O-C 3.56Å; L427-T433 WeakPolarHBondContact O-CA 3.43Å; T433-D453 PolarHBondContact N-O 3.21Å; T433-Q455 PolarHBondContact N-O 3.48Å; T433-Q455 PolarHBondContact OG1-O 3.2Å; T433-T457 WeakPolarHBondContact CG2-OG1 3.4Å; T433-T457 WeakPolarHBondContact OG1-CB 3.26Å; T433-T457 PolarHBondContact OG1-N 3.28Å; T433-T457 PolarHBondContact OG1-OG1 3.49Å
434R95.9Very high93.4Very high87 Ų8746.4 Ų46.433%0.32825%0.248SC..EExtended strand (participates in β ladder)trans-112.4153.2174.4-61.2-176.1179.3-166.8-0.3110.4L427 F429 E445L427-R434 HydrophobicContact CB-CB 4.38Å; L427-R434 PolarHBondContact N-O 3.5Å; L427-R434 PolarHBondContact O-N 3.06Å; F429-R434 HydrophobicContact CD2-CG 4.24Å; F429-R434 HydrophobicContact CE2-CB 4.02Å; F429-R434 HydrophobicContact CE2-CG 3.84Å; R434-E445 VanDerWaalsContact CD-OE1 3.3Å; R434-E445 WeakPolarHBondContact CD-OE1 2.95Å; R434-E445 IonicContact NE-OE1 2.75Å
435V96Very high93.3Very high9 Ų952.2 Ų52.26%0.05528%0.275CS..EExtended strand (participates in β ladder)trans-126.6127.4-179.5-175.90000108.3T424 V426 E445 T446 L448T424-V435 HydrophobicContact CG2-CG1 3.22Å; V426-V435 HydrophobicContact CG2-CG1 4.36Å; V426-V435 HydrophobicContact CG2-CG2 4.27Å; V435-E445 WeakPolarHBondContact O-CA 3.22Å; V435-T446 HydrophobicContact CB-CG2 4.25Å; V435-T446 WeakPolarHBondContact CB-O 3.31Å; V435-T446 HydrophobicContact CG1-CG2 3.79Å; V435-T446 PolarHBondContact O-N 3.12Å; V435-L448 HydrophobicContact CG1-CB 4.42Å; V435-L448 HydrophobicContact CG2-CB 4.15Å
436L95.3Very high93.2Very high14 Ų1455 Ų557%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-108.5131174.8-56.9-178.4000109.1L404 T424 L425 L427 V443 E444 E445 L699L404-L436 HydrophobicContact CD1-CD1 4.27Å; T424-L436 CarbonylContact C-O 3.55Å; T424-L436 VanDerWaalsContact CA-O 3.27Å; T424-L436 WeakPolarHBondContact CA-O 3.41Å; L425-L436 HydrophobicContact CB-CB 4.38Å; L425-L436 PolarHBondContact N-O 3.26Å; L425-L436 PolarHBondContact O-N 2.57Å; L427-L436 HydrophobicContact CD1-CD1 3.49Å; L427-L436 VanDerWaalsContact CD1-CD1 3.49Å; L427-L436 HydrophobicContact CD1-CD2 4.47Å; L427-L436 HydrophobicContact CD1-CG 3.8Å; L427-L436 HydrophobicContact CG-CD1 4.37Å; L436-V443 HydrophobicContact CB-CG1 3.84Å; L436-V443 HydrophobicContact CD1-CG1 3.7Å; L436-V443 HydrophobicContact CG-CG1 4.23Å; L436-E444 CarbonylContact C-O 3.57Å; L436-E444 VanDerWaalsContact CA-O 3.25Å; L436-E444 WeakPolarHBondContact CA-O 3.36Å; L436-E445 HydrophobicContact CD2-CB 4.02Å; L436-E445 HydrophobicContact CD2-CG 4.35Å; L436-L699 HydrophobicContact CD1-CD2 4.31Å
437M94.1Very high92.8Very high71 Ų7162.9 Ų62.935%0.3533%0.329SS..EExtended strand (participates in β ladder)trans-91.3135.6170.8-170.9173.166.600109.2E444 T446M437-E444 WeakPolarHBondContact CE-OE2 3.43Å; M437-E444 PolarHBondContact N-O 2.99Å; M437-E444 PolarHBondContact O-N 3.13Å; M437-T446 HydrophobicContact CB-CG2 3.93Å
438L92.6Very high92.5Very high4 Ų463.6 Ų63.62%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-104.6112.4179.3-56.3175.1000108.8D423 V443 L682D423-L438 PolarHBondContact O-N 2.84Å; L438-V443 HydrophobicContact CD2-CB 4.42Å; L438-V443 HydrophobicContact CD2-CG1 4.07Å; L438-V443 HydrophobicContact CD2-CG2 3.81Å; L438-L682 HydrophobicContact CD1-CD1 3.53Å; L438-L682 HydrophobicContact CD1-CD2 4.12Å; L438-L682 HydrophobicContact CD1-CG 4.34Å
439N88.8Confident92.1Very high88 Ų8870.1 Ų70.147%0.47137%0.365SS..EExtended strand (participates in β ladder)trans-120.287178.7-171.635.2000110E441 E442N439-E441 PolarHBondContact O-N 3.43Å; N439-E442 PolarHBondContact N-O 3.19Å; N439-E442 PolarHBondContact O-N 2.99Å
440G86.6Confident91.8Very high30 Ų3070.5 Ų70.531%0.30937%0.372SS..THydrogen-bonded Turntrans64-131-165.200000109.9E442 G686G440-E442 VanDerWaalsContact C-N 3.31Å; G440-G686 VanDerWaalsContact C-CA 3.5Å; G440-G686 WeakPolarHBondContact O-CA 3.47Å
441E85.3Confident91.9Very high153 Ų15366.4 Ų66.472%0.71535%0.346SS*.THydrogen-bonded Turntrans-82.9-6.1176.5-63.6177.8-179.600113N439 Y687N439-E441 PolarHBondContact O-N 3.43Å; E441-Y687 PolarHBondContact O-OH 2.86Å
442E88.5Confident92Very high125 Ų12565.5 Ų65.558%0.58433%0.332SS*.EExtended strand (participates in β ladder)trans-85.6136.5177.7-65.8-175.9166.400111.2N439 G440N439-E442 PolarHBondContact N-O 3.19Å; N439-E442 PolarHBondContact O-N 2.99Å; G440-E442 VanDerWaalsContact C-N 3.31Å
443V90.2Very high92Very high44 Ų4466.8 Ų66.827%0.26734%0.341SS..EExtended strand (participates in β ladder)trans-119.6116.4-178.8-174.60000109.3I402 L436 L438 Y687I402-V443 HydrophobicContact CD1-CB 4.2Å; I402-V443 HydrophobicContact CD1-CG1 4.05Å; I402-V443 HydrophobicContact CD1-CG2 4.25Å; L436-V443 HydrophobicContact CB-CG1 3.84Å; L436-V443 HydrophobicContact CD1-CG1 3.7Å; L436-V443 HydrophobicContact CG-CG1 4.23Å; L438-V443 HydrophobicContact CD2-CB 4.42Å; L438-V443 HydrophobicContact CD2-CG1 4.07Å; L438-V443 HydrophobicContact CD2-CG2 3.81Å; V443-Y687 HydrophobicContact CG2-CE2 4.3Å
444E92.3Very high91.9Very high95 Ų9571.6 Ų71.644%0.44437%0.366SS..EExtended strand (participates in β ladder)trans-121.5140.7-175.8-64.1-172.1155.800112.3L436 M437L436-E444 CarbonylContact C-O 3.57Å; L436-E444 VanDerWaalsContact CA-O 3.25Å; L436-E444 WeakPolarHBondContact CA-O 3.36Å; M437-E444 WeakPolarHBondContact CE-OE2 3.43Å; M437-E444 PolarHBondContact N-O 2.99Å; M437-E444 PolarHBondContact O-N 3.13Å
445E92.6Very high91.9Very high126 Ų12670 Ų7059%0.58936%0.362SS*.EExtended strand (participates in β ladder)trans-77.2132174.5-170.6168.6-172.100111.3R434 V435 L436R434-E445 VanDerWaalsContact CD-OE1 3.3Å; R434-E445 WeakPolarHBondContact CD-OE1 2.95Å; R434-E445 IonicContact NE-OE1 2.75Å; V435-E445 WeakPolarHBondContact O-CA 3.22Å; L436-E445 HydrophobicContact CD2-CB 4.02Å; L436-E445 HydrophobicContact CD2-CG 4.35Å
446T93.5Very high91.9Very high60 Ų6072.2 Ų72.237%0.36837%0.372SS..EExtended strand (participates in β ladder)trans-139.1172.4-177.2-164.60000111.7V435 M437V435-T446 HydrophobicContact CB-CG2 4.25Å; V435-T446 WeakPolarHBondContact CB-O 3.31Å; V435-T446 HydrophobicContact CG1-CG2 3.79Å; V435-T446 PolarHBondContact O-N 3.12Å; M437-T446 HydrophobicContact CB-CG2 3.93Å
447E89.9Confident92Very high165 Ų16571.6 Ų71.677%0.77137%0.369SS*.  trans-112.4132.9175.1-69178.9-171.500110.3
448L90.2Very high92.1Very high15 Ų1571 Ų718%0.07937%0.365CS..  trans-101107.4176.1-168.369.8000110.1L413 V435 G450 F451 L468 K484L413-L448 HydrophobicContact CD1-CD2 3.91Å; V435-L448 HydrophobicContact CG1-CB 4.42Å; V435-L448 HydrophobicContact CG2-CB 4.15Å; L448-G450 PolarHBondContact O-N 2.83Å; L448-F451 HydrophobicContact CB-CB 4.42Å; L448-F451 HydrophobicContact CB-CG 4.45Å; L448-F451 HydrophobicContact CD2-CD1 4.01Å; L448-F451 HydrophobicContact CD2-CD2 3.61Å; L448-F451 HydrophobicContact CD2-CE1 3.97Å; L448-F451 HydrophobicContact CD2-CE2 3.6Å; L448-F451 HydrophobicContact CD2-CG 3.85Å; L448-F451 HydrophobicContact CD2-CZ 3.78Å; L448-F451 HydrophobicContact CG-CD2 4.18Å; L448-F451 HydrophobicContact CG-CG 4.4Å; L448-F451 WeakPolarHBondContact O-CB 3.19Å; L448-F451 PolarHBondContact O-N 3.04Å; L448-L468 HydrophobicContact CD1-CD1 4.42Å; L448-L468 HydrophobicContact CD2-CD1 3.91Å; L448-K484 HydrophobicContact CD1-CD 4.11Å
449M89.2Confident92.3Very high137 Ų13772.8 Ų72.868%0.67537%0.372SS*.THydrogen-bonded Turntrans-58.2136.8-179.1-59.2-161.88400111.6F451 V479 K484M449-F451 VanDerWaalsContact C-N 3.34Å; M449-F451 PolarHBondContact O-N 3.18Å; M449-V479 WeakPolarHBondContact O-CG1 3.32Å; M449-K484 CarbonylContact C-O 3.3Å; M449-K484 HydrophobicContact CB-CB 3.89Å; M449-K484 WeakPolarHBondContact CB-O 3.45Å
450G89.3Confident92.7Very high20 Ų2068.6 Ų68.621%0.20635%0.35CS..THydrogen-bonded Turntrans93.3-26.3-176.700000114.7L448 R477L448-G450 PolarHBondContact O-N 2.83Å; G450-R477 PolarHBondContact O-NE 3.12Å; G450-R477 PolarHBondContact O-NH2 3.43Å; G450-R477 VanDerWaalsContact O-NH2 3.12Å
451F94.6Very high93.2Very high25 Ų2567.7 Ų67.711%0.1134%0.34CS..SBendtrans-75.4159.4169.9-82.4-136.2000110.5L413 L448 M449 C460 L468 Q470 V479L413-F451 HydrophobicContact CD1-CE1 4.22Å; L413-F451 HydrophobicContact CD1-CZ 4.07Å; L448-F451 HydrophobicContact CB-CB 4.42Å; L448-F451 HydrophobicContact CB-CG 4.45Å; L448-F451 HydrophobicContact CD2-CD1 4.01Å; L448-F451 HydrophobicContact CD2-CD2 3.61Å; L448-F451 HydrophobicContact CD2-CE1 3.97Å; L448-F451 HydrophobicContact CD2-CE2 3.6Å; L448-F451 HydrophobicContact CD2-CG 3.85Å; L448-F451 HydrophobicContact CD2-CZ 3.78Å; L448-F451 HydrophobicContact CG-CD2 4.18Å; L448-F451 HydrophobicContact CG-CG 4.4Å; L448-F451 WeakPolarHBondContact O-CB 3.19Å; L448-F451 PolarHBondContact O-N 3.04Å; M449-F451 VanDerWaalsContact C-N 3.34Å; M449-F451 PolarHBondContact O-N 3.18Å; F451-C460 HydrophobicContact CE1-CB 3.75Å; F451-C460 HydrophobicContact CZ-CB 4.08Å; F451-L468 HydrophobicContact CE2-CB 3.92Å; F451-L468 HydrophobicContact CE2-CD1 4.42Å; F451-L468 HydrophobicContact CZ-CB 4.24Å; F451-Q470 VanDerWaalsContact CA-OE1 3.29Å; F451-Q470 HydrophobicContact CD1-CB 3.87Å; F451-Q470 HydrophobicContact CD1-CG 3.75Å; F451-Q470 HydrophobicContact CD2-CB 4.24Å; F451-Q470 HydrophobicContact CE1-CB 3.73Å; F451-Q470 HydrophobicContact CE1-CG 3.87Å; F451-Q470 HydrophobicContact CE2-CB 4.09Å; F451-Q470 HydrophobicContact CG-CB 4.12Å; F451-Q470 HydrophobicContact CG-CG 4.29Å; F451-Q470 HydrophobicContact CZ-CB 3.84Å; F451-Q470 HydrophobicContact CZ-CG 4.48Å; F451-V479 HydrophobicContact CD2-CG2 3.99Å; F451-V479 HydrophobicContact CE2-CB 4.38Å; F451-V479 HydrophobicContact CE2-CG2 4.15Å
452V95.1Very high93.7Very high25 Ų2562.3 Ų62.315%0.15232%0.317CS..  trans-108.3123.4174.2176.70000107.9D454 Q455 Q470V452-D454 WeakPolarHBondContact CG1-OD1 3.46Å; V452-Q455 HydrophobicContact CG1-CB 4.15Å; V452-Q455 HydrophobicContact CG1-CG 4Å; V452-Q470 PolarHBondContact O-NE2 3.5Å
453D94.5Very high94Very high101 Ų10157 Ų5754%0.5429%0.293SS..SBendtrans-93.5-21.7-176.561.4-18.6000112.9Q432 T433 Q455Q432-D453 CarbonylContact C-O 3.3Å; Q432-D453 WeakPolarHBondContact CA-O 3.44Å; T433-D453 PolarHBondContact N-O 3.21Å; D453-Q455 VanDerWaalsContact C-N 3.31Å; D453-Q455 PolarHBondContact O-N 2.85Å
454D95.7Very high94.1Very high109 Ų10956.3 Ų56.358%0.58329%0.292SS*.SBendtrans-88.814.1-179.576.8-17000114.6G431 V452G431-D454 CarbonylContact O-C 3.54Å; V452-D454 WeakPolarHBondContact CG1-OD1 3.46Å
455Q95.4Very high94.2Very high54 Ų5456.4 Ų56.425%0.25229%0.292SS..SBendtrans-134154.6176.8-66.6-170.729.200112.1Q432 T433 V452 D453 T457 T472 A474Q432-Q455 CarbonylContact C-O 3.58Å; Q432-Q455 VanDerWaalsContact C-O 3.3Å; T433-Q455 PolarHBondContact N-O 3.48Å; T433-Q455 PolarHBondContact OG1-O 3.2Å; V452-Q455 HydrophobicContact CG1-CB 4.15Å; V452-Q455 HydrophobicContact CG1-CG 4Å; D453-Q455 VanDerWaalsContact C-N 3.31Å; D453-Q455 PolarHBondContact O-N 2.85Å; Q455-T457 PolarHBondContact O-N 2.89Å; Q455-T472 HydrophobicContact CB-CG2 4.1Å; Q455-T472 PolarHBondContact OE1-OG1 2.99Å; Q455-A474 VanDerWaalsContact OE1-CB 3.28Å
456Q96.7Very high94.2Very high55 Ų5556.5 Ų56.526%0.25729%0.292SS..  trans-71.2123.3172-175.2174.3-15.400109.9S428 F429 F458S428-Q456 VanDerWaalsContact OG-CG 3.28Å; S428-Q456 WeakPolarHBondContact OG-CG 3.17Å; F429-Q456 WeakPolarHBondContact O-CB 3.5Å; F429-Q456 VanDerWaalsContact O-CG 3.3Å; F429-Q456 WeakPolarHBondContact O-CG 3.13Å; Q456-F458 HydrophobicContact CB-CE1 4.44Å; Q456-F458 HydrophobicContact CG-CD1 4.18Å; Q456-F458 HydrophobicContact CG-CE1 4.06Å
457T97.2Very high94.3Very high1 Ų153.9 Ų53.91%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-80126.5171-63.60000109.8W411 S428 T433 Q455 F459 C460 Q470W411-T457 HydrophobicContact CH2-CG2 4.49Å; W411-T457 HydrophobicContact CZ3-CG2 4.13Å; S428-T457 WeakPolarHBondContact CB-O 3.37Å; S428-T457 PolarHBondContact OG-N 3.1Å; S428-T457 VanDerWaalsContact OG-N 3.11Å; S428-T457 PolarHBondContact OG-O 3.24Å; T433-T457 WeakPolarHBondContact CG2-OG1 3.4Å; T433-T457 WeakPolarHBondContact OG1-CB 3.26Å; T433-T457 PolarHBondContact OG1-N 3.28Å; T433-T457 PolarHBondContact OG1-OG1 3.49Å; Q455-T457 PolarHBondContact O-N 2.89Å; T457-F459 WeakPolarHBondContact CG2-O 3.37Å; T457-C460 HydrophobicContact CG2-CB 3.95Å; T457-Q470 HydrophobicContact CG2-CG 3.98Å; T457-Q470 PolarHBondContact OG1-NE2 3.12Å
458F96Very high94.6Very high60 Ų6046 Ų4626%0.26324%0.239SC..EExtended strand (participates in β ladder)trans-91.8-28.6173.9-69.4-10.8000112.9W411 Q456 I471 I498W411-F458 VanDerWaalsContact CZ2-O 3.22Å; W411-F458 WeakPolarHBondContact CZ2-O 3.44Å; Q456-F458 HydrophobicContact CB-CE1 4.44Å; Q456-F458 HydrophobicContact CG-CD1 4.18Å; Q456-F458 HydrophobicContact CG-CE1 4.06Å; F458-I471 PolarHBondContact N-O 3.2Å; F458-I498 HydrophobicContact CD2-CG2 4.23Å; F458-I498 VanDerWaalsContact CE2-O 3.31Å; F458-I498 WeakPolarHBondContact CE2-O 3.49Å
459F97.1Very high95Very high40 Ų4045.3 Ų45.318%0.17524%0.235CC..EExtended strand (participates in β ladder)trans-156.6141.1172.5-179.4-84.3000109.4W411 T457 I469 I471 C503W411-F459 AromaticContact NE1-CD2 3.9Å; T457-F459 WeakPolarHBondContact CG2-O 3.37Å; F459-I469 HydrophobicContact CD1-CG2 3.99Å; F459-I469 HydrophobicContact CE1-CG2 3.79Å; F459-I471 HydrophobicContact CB-CB 4.24Å; F459-I471 HydrophobicContact CB-CD1 4.13Å; F459-I471 HydrophobicContact CB-CG1 4.27Å; F459-I471 HydrophobicContact CD1-CD1 4.28Å; F459-I471 PolarHBondContact N-O 3.34Å; F459-I471 PolarHBondContact O-N 2.98Å; F459-C503 HydrophobicContact CD1-CB 3.53Å; F459-C503 HydrophobicContact CD2-CB 4.41Å; F459-C503 HydrophobicContact CE1-CB 3.35Å; F459-C503 HydrophobicContact CE2-CB 4.22Å; F459-C503 HydrophobicContact CG-CB 4.09Å; F459-C503 HydrophobicContact CZ-CB 3.71Å; F459-C503 WeakPolarHBondContact CZ-O 3.31Å
460C97.4Very high95.4Very high1 Ų138.8 Ų38.81%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-143.2159.1160.166.50000110.7W411 F451 T457 I469W411-C460 VanDerWaalsContact CB-SG 3.58Å; F451-C460 HydrophobicContact CE1-CB 3.75Å; F451-C460 HydrophobicContact CZ-CB 4.08Å; T457-C460 HydrophobicContact CG2-CB 3.95Å; C460-I469 WeakPolarHBondContact CA-O 3.17Å; C460-I469 WeakPolarHBondContact CB-O 3.48Å
461G96.4Very high95.8Very high10 Ų1037.9 Ų37.910%0.10319%0.193CC..EExtended strand (participates in β ladder)trans-179.2164.1-177.500000113.3L413 L468 I469L413-G461 VanDerWaalsContact CD2-C 3.42Å; G461-L468 WeakPolarHBondContact O-CA 3.44Å; G461-I469 PolarHBondContact N-O 2.81Å; G461-I469 PolarHBondContact O-N 2.76Å
462N95.7Very high95.9Very high41 Ų4136.7 Ų36.722%0.21919%0.189CC..EExtended strand (participates in β ladder)trans-71129.1163.9-65.587.2000110.1L413 R414 L468 Q481L413-N462 WeakPolarHBondContact CA-OD1 3.01Å; R414-N462 PolarHBondContact N-OD1 2.79Å; R414-N462 PolarHBondContact O-ND2 3.12Å; N462-L468 HydrophobicContact CB-CD2 4.46Å; N462-L468 WeakPolarHBondContact ND2-CD2 3.37Å; N462-Q481 PolarHBondContact ND2-NE2 3.24Å
463V95.5Very high96Very high14 Ų1437.1 Ų37.19%0.08519%0.192CC..EExtended strand (participates in β ladder)trans-123175.1178.4-61.50000110.6Q467 I469 L478 S505 I521V463-Q467 HydrophobicContact CG2-CB 3.79Å; V463-Q467 VanDerWaalsContact CG2-O 3.32Å; V463-Q467 WeakPolarHBondContact CG2-O 3.27Å; V463-Q467 PolarHBondContact N-O 2.84Å; V463-I469 HydrophobicContact CG1-CB 3.93Å; V463-I469 HydrophobicContact CG1-CG2 3.57Å; V463-I469 HydrophobicContact CG2-CB 4.32Å; V463-L478 HydrophobicContact CG2-CD1 3.89Å; V463-S505 WeakPolarHBondContact CB-O 3.29Å; V463-I521 HydrophobicContact CB-CD1 3.74Å; V463-I521 HydrophobicContact CG1-CD1 3.68Å; V463-I521 HydrophobicContact CG2-CD1 4.1Å; V463-I521 HydrophobicContact CG2-CG2 4.17Å
464A92.8Very high96Very high29 Ų2934 Ų3424%0.2418%0.18CC..THydrogen-bonded Turntrans-56.5158.6-179.400000112.2S505A464-S505 VanDerWaalsContact CB-O 3.28Å; A464-S505 WeakPolarHBondContact CB-O 3.46Å; A464-S505 PolarHBondContact N-O 2.84Å
465H92.9Very high96.1Very high97 Ų9728.9 Ų28.945%0.44915%0.154SC..THydrogen-bonded Turntrans67.930.5176-44.9-60.6000115.3Q467H465-Q467 VanDerWaalsContact C-N 3.32Å; H465-Q467 HydrophobicContact CB-CG 4.46Å; H465-Q467 VanDerWaalsContact CB-OE1 3.31Å; H465-Q467 WeakPolarHBondContact O-CG 3.17Å; H465-Q467 PolarHBondContact O-N 2.92Å
466Q93.2Very high96.2Very high128 Ų12826.3 Ų26.360%0.59814%0.142SC*.THydrogen-bonded Turntrans56.747.3-179.4-64.5170.189.600111.8P417 Q481P417-Q466 HydrophobicContact CB-CG 4.37Å; Q466-Q481 VanDerWaalsContact C-OE1 3.24Å; Q466-Q481 VanDerWaalsContact CB-OE1 3.27Å; Q466-Q481 WeakPolarHBondContact O-CB 3.21Å; Q466-Q481 WeakPolarHBondContact O-CG 3.43Å; Q466-Q481 PolarHBondContact O-N 2.83Å
467Q95.8Very high96.2Very high4 Ų425.4 Ų25.42%0.01914%0.136CC..EExtended strand (participates in β ladder)trans-125.2155.1-176.6-71.2162-149.600109.5V463 H465 L478 V479 H522V463-Q467 HydrophobicContact CG2-CB 3.79Å; V463-Q467 VanDerWaalsContact CG2-O 3.32Å; V463-Q467 WeakPolarHBondContact CG2-O 3.27Å; V463-Q467 PolarHBondContact N-O 2.84Å; H465-Q467 VanDerWaalsContact C-N 3.32Å; H465-Q467 HydrophobicContact CB-CG 4.46Å; H465-Q467 VanDerWaalsContact CB-OE1 3.31Å; H465-Q467 WeakPolarHBondContact O-CG 3.17Å; H465-Q467 PolarHBondContact O-N 2.92Å; Q467-L478 HydrophobicContact CB-CD1 4.09Å; Q467-L478 VanDerWaalsContact NE2-CG 3.28Å; Q467-V479 CarbonylContact C-O 3.6Å; Q467-V479 VanDerWaalsContact CA-O 3.25Å; Q467-V479 WeakPolarHBondContact CA-O 3.36Å; Q467-V479 WeakPolarHBondContact CB-O 3.22Å; Q467-H522 PolarHBondContact NE2-O 2.77Å
468L96.4Very high96.3Very high1 Ų125.3 Ų25.31%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-111.3152.6171.6-53.5178.7000108.2L413 L448 F451 G461 N462 V479 Q481L413-L468 HydrophobicContact CD2-CD2 4.46Å; L448-L468 HydrophobicContact CD1-CD1 4.42Å; L448-L468 HydrophobicContact CD2-CD1 3.91Å; F451-L468 HydrophobicContact CE2-CB 3.92Å; F451-L468 HydrophobicContact CE2-CD1 4.42Å; F451-L468 HydrophobicContact CZ-CB 4.24Å; G461-L468 WeakPolarHBondContact O-CA 3.44Å; N462-L468 HydrophobicContact CB-CD2 4.46Å; N462-L468 WeakPolarHBondContact ND2-CD2 3.37Å; L468-V479 HydrophobicContact CB-CB 4.39Å; L468-V479 PolarHBondContact N-O 3.01Å; L468-V479 PolarHBondContact O-N 3.14Å; L468-Q481 HydrophobicContact CD1-CG 4.39Å; L468-Q481 HydrophobicContact CD2-CG 3.87Å; L468-Q481 HydrophobicContact CG-CG 3.82Å
469I97.6Very high96.3Very high0 Ų022.5 Ų22.50%012%0.123CC..EExtended strand (participates in β ladder)trans-125141.8174.2-157.8170000110.3F459 C460 G461 V463 I471 V476 R477 V508 I521 L526F459-I469 HydrophobicContact CD1-CG2 3.99Å; F459-I469 HydrophobicContact CE1-CG2 3.79Å; C460-I469 WeakPolarHBondContact CA-O 3.17Å; C460-I469 WeakPolarHBondContact CB-O 3.48Å; G461-I469 PolarHBondContact N-O 2.81Å; G461-I469 PolarHBondContact O-N 2.76Å; V463-I469 HydrophobicContact CG1-CB 3.93Å; V463-I469 HydrophobicContact CG1-CG2 3.57Å; V463-I469 HydrophobicContact CG2-CB 4.32Å; I469-I471 HydrophobicContact CG1-CG1 4.47Å; I469-V476 HydrophobicContact CD1-CG1 3.73Å; I469-V476 HydrophobicContact CG1-CG1 4.08Å; I469-R477 CarbonylContact C-O 3.57Å; I469-R477 WeakPolarHBondContact CA-O 3.5Å; I469-R477 WeakPolarHBondContact CG1-O 3.28Å; I469-V508 HydrophobicContact CD1-CG2 3.41Å; I469-V508 VanDerWaalsContact CD1-CG2 3.41Å; I469-I521 HydrophobicContact CD1-CD1 4.04Å; I469-L526 HydrophobicContact CD1-CD2 4.48Å
470Q98Very high96.1Very high0 Ų021 Ų210%012%0.117CC..EExtended strand (participates in β ladder)trans-128.8126.8168.9-169.4-166.522.100108.6F451 V452 T457 T472 R477F451-Q470 VanDerWaalsContact CA-OE1 3.29Å; F451-Q470 HydrophobicContact CD1-CB 3.87Å; F451-Q470 HydrophobicContact CD1-CG 3.75Å; F451-Q470 HydrophobicContact CD2-CB 4.24Å; F451-Q470 HydrophobicContact CE1-CB 3.73Å; F451-Q470 HydrophobicContact CE1-CG 3.87Å; F451-Q470 HydrophobicContact CE2-CB 4.09Å; F451-Q470 HydrophobicContact CG-CB 4.12Å; F451-Q470 HydrophobicContact CG-CG 4.29Å; F451-Q470 HydrophobicContact CZ-CB 3.84Å; F451-Q470 HydrophobicContact CZ-CG 4.48Å; V452-Q470 PolarHBondContact O-NE2 3.5Å; T457-Q470 HydrophobicContact CG2-CG 3.98Å; T457-Q470 PolarHBondContact OG1-NE2 3.12Å; Q470-T472 HydrophobicContact CG-CG2 4.22Å; Q470-R477 HydrophobicContact CB-CB 4.45Å; Q470-R477 PolarHBondContact N-O 2.85Å; Q470-R477 PolarHBondContact O-N 2.88Å
471I98.1Very high95.9Very high0 Ų021.8 Ų21.80%012%0.121CC..EExtended strand (participates in β ladder)trans-111.9121.5175-49.7-176.2000107.8F458 F459 I469 V476 I498 A501 C503 V508 V510F458-I471 PolarHBondContact N-O 3.2Å; F459-I471 HydrophobicContact CB-CB 4.24Å; F459-I471 HydrophobicContact CB-CD1 4.13Å; F459-I471 HydrophobicContact CB-CG1 4.27Å; F459-I471 HydrophobicContact CD1-CD1 4.28Å; F459-I471 PolarHBondContact N-O 3.34Å; F459-I471 PolarHBondContact O-N 2.98Å; I469-I471 HydrophobicContact CG1-CG1 4.47Å; I471-V476 HydrophobicContact CD1-CG2 4.47Å; I471-V476 HydrophobicContact CG1-CG1 4.18Å; I471-V476 HydrophobicContact CG1-CG2 4.29Å; I471-V476 HydrophobicContact CG2-CG2 4.02Å; I471-I498 HydrophobicContact CG2-CD1 4.11Å; I471-I498 HydrophobicContact CG2-CG2 4.43Å; I471-A501 HydrophobicContact CB-CB 4.25Å; I471-A501 HydrophobicContact CD1-CB 3.84Å; I471-A501 HydrophobicContact CG2-CB 3.64Å; I471-C503 HydrophobicContact CD1-CB 4.21Å; I471-V508 HydrophobicContact CD1-CG1 3.56Å; I471-V510 HydrophobicContact CD1-CG1 4.47Å; I471-V510 HydrophobicContact CG2-CG1 4.22Å
472T97.3Very high95.4Very high1 Ų128.7 Ų28.71%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-115.1177.917759.70000109.1Q455 Q470 A474 S475 I498Q455-T472 HydrophobicContact CB-CG2 4.1Å; Q455-T472 PolarHBondContact OE1-OG1 2.99Å; Q470-T472 HydrophobicContact CG-CG2 4.22Å; T472-A474 PolarHBondContact O-N 2.82Å; T472-A474 PolarHBondContact OG1-N 2.87Å; T472-S475 PolarHBondContact N-O 3.22Å; T472-S475 PolarHBondContact OG1-N 3.36Å; T472-S475 PolarHBondContact OG1-O 2.95Å; T472-S475 VanDerWaalsContact OG1-O 3.12Å; T472-I498 WeakPolarHBondContact O-CD1 3.46Å
473S95.6Very high95Very high33 Ų3331.6 Ų31.623%0.23117%0.172CC..SBendtrans-61.7-28.2169.955.40000112.8N497 I498S473-N497 CarbonylContact O-C 3.59Å; S473-N497 WeakPolarHBondContact O-CA 3.43Å; S473-I498 PolarHBondContact O-N 3.31Å
474A95.7Very high94.6Very high35 Ų3534.1 Ų34.129%0.28918%0.182SC..SBendtrans-89.4-32.9-17400000114.2Q455 T472Q455-A474 VanDerWaalsContact OE1-CB 3.28Å; T472-A474 PolarHBondContact O-N 2.82Å; T472-A474 PolarHBondContact OG1-N 2.87Å
475S96.8Very high94.7Very high3 Ų334.7 Ų34.72%0.02119%0.186CC..  trans-164162.2-170.862.10000113.7T472 R477 E489 W490T472-S475 PolarHBondContact N-O 3.22Å; T472-S475 PolarHBondContact OG1-N 3.36Å; T472-S475 PolarHBondContact OG1-O 2.95Å; T472-S475 VanDerWaalsContact OG1-O 3.12Å; S475-R477 WeakPolarHBondContact OG-CG 3.36Å; S475-E489 PolarHBondContact OG-OE1 3.32Å; S475-W490 VanDerWaalsContact CA-O 3.3Å; S475-W490 WeakPolarHBondContact CA-O 3.34Å; S475-W490 VanDerWaalsContact CB-O 3.3Å; S475-W490 WeakPolarHBondContact CB-O 3.41Å
476V98Very high94.8Very high0 Ų033.3 Ų33.30%018%0.182CC..EExtended strand (participates in β ladder)trans-98.8119.8164179.50000107.6I469 I471 E489 W490 I498 V508 V510 L519 L526I469-V476 HydrophobicContact CD1-CG1 3.73Å; I469-V476 HydrophobicContact CG1-CG1 4.08Å; I471-V476 HydrophobicContact CD1-CG2 4.47Å; I471-V476 HydrophobicContact CG1-CG1 4.18Å; I471-V476 HydrophobicContact CG1-CG2 4.29Å; I471-V476 HydrophobicContact CG2-CG2 4.02Å; V476-E489 CarbonylContact O-C 3.53Å; V476-E489 WeakPolarHBondContact O-CA 3.34Å; V476-W490 HydrophobicContact CB-CB 4.3Å; V476-W490 HydrophobicContact CB-CE3 4.35Å; V476-W490 HydrophobicContact CG2-CE3 3.86Å; V476-W490 HydrophobicContact CG2-CZ3 4.43Å; V476-W490 PolarHBondContact N-O 2.98Å; V476-W490 PolarHBondContact O-N 3.45Å; V476-I498 HydrophobicContact CG2-CD1 4Å; V476-V508 HydrophobicContact CG1-CG1 4.33Å; V476-V508 HydrophobicContact CG2-CG1 4.37Å; V476-V510 HydrophobicContact CG2-CG1 3.73Å; V476-L519 HydrophobicContact CB-CD1 4.2Å; V476-L519 HydrophobicContact CG1-CD1 4.23Å; V476-L519 HydrophobicContact CG2-CD1 4.01Å; V476-L526 HydrophobicContact CB-CD1 4.14Å; V476-L526 HydrophobicContact CG1-CD1 3.68Å; V476-L526 HydrophobicContact CG1-CD2 4.3Å; V476-L526 VanDerWaalsContact O-CD1 3.28Å; V476-L526 WeakPolarHBondContact O-CD1 3.23Å
477R97.6Very high94.9Very high35 Ų3529.2 Ų29.213%0.13217%0.165CC..EExtended strand (participates in β ladder)trans-114.5126.3-174.2-61.5179.866.792.5-12110.2G450 I469 Q470 S475 L486 E489G450-R477 PolarHBondContact O-NE 3.12Å; G450-R477 PolarHBondContact O-NH2 3.43Å; G450-R477 VanDerWaalsContact O-NH2 3.12Å; I469-R477 CarbonylContact C-O 3.57Å; I469-R477 WeakPolarHBondContact CA-O 3.5Å; I469-R477 WeakPolarHBondContact CG1-O 3.28Å; Q470-R477 HydrophobicContact CB-CB 4.45Å; Q470-R477 PolarHBondContact N-O 2.85Å; Q470-R477 PolarHBondContact O-N 2.88Å; S475-R477 WeakPolarHBondContact OG-CG 3.36Å; R477-L486 HydrophobicContact CB-CD1 3.75Å; R477-L486 HydrophobicContact CG-CD1 4.19Å; R477-E489 HydrophobicContact CG-CG 4.26Å; R477-E489 IonicContact NH1-OE1 2.67Å; R477-E489 PolarHBondContact NH1-OE1 2.87Å
478L97.8Very high95Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-107.5124.2177.6-167.763.1000108.6V463 Q467 V487 S488 I521 L526V463-L478 HydrophobicContact CG2-CD1 3.89Å; Q467-L478 HydrophobicContact CB-CD1 4.09Å; Q467-L478 VanDerWaalsContact NE2-CG 3.28Å; L478-V487 HydrophobicContact CB-CG2 4.14Å; L478-V487 HydrophobicContact CD2-CG2 4.26Å; L478-V487 HydrophobicContact CG-CG2 3.91Å; L478-V487 WeakPolarHBondContact O-CG2 3.23Å; L478-V487 PolarHBondContact O-N 2.77Å; L478-S488 PolarHBondContact N-O 2.76Å; L478-S488 PolarHBondContact O-N 2.83Å; L478-I521 HydrophobicContact CD1-CG2 3.94Å; L478-I521 HydrophobicContact CD2-CG2 4.33Å; L478-L526 HydrophobicContact CB-CD1 4.03Å; L478-L526 HydrophobicContact CB-CD2 4.26Å; L478-L526 HydrophobicContact CB-CG 3.94Å; L478-L526 HydrophobicContact CD1-CD2 4.39Å; L478-L526 HydrophobicContact CD2-CD2 3.98Å; L478-L526 HydrophobicContact CD2-CG 3.89Å; L478-L526 HydrophobicContact CG-CD2 4.48Å; L478-L526 HydrophobicContact CG-CG 4.49Å
479V96.7Very high95Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-122.6132.9-173.21800000108.2M449 F451 Q467 L468 A485 L486M449-V479 WeakPolarHBondContact O-CG1 3.32Å; F451-V479 HydrophobicContact CD2-CG2 3.99Å; F451-V479 HydrophobicContact CE2-CB 4.38Å; F451-V479 HydrophobicContact CE2-CG2 4.15Å; Q467-V479 CarbonylContact C-O 3.6Å; Q467-V479 VanDerWaalsContact CA-O 3.25Å; Q467-V479 WeakPolarHBondContact CA-O 3.36Å; Q467-V479 WeakPolarHBondContact CB-O 3.22Å; L468-V479 HydrophobicContact CB-CB 4.39Å; L468-V479 PolarHBondContact N-O 3.01Å; L468-V479 PolarHBondContact O-N 3.14Å; V479-A485 CarbonylContact C-O 3.56Å; V479-A485 VanDerWaalsContact CA-O 3.31Å; V479-A485 WeakPolarHBondContact CA-O 3.02Å; V479-L486 HydrophobicContact CG2-CD1 4.34Å
480S94Very high95Very high9 Ų934.5 Ų34.56%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-74.5143.3172.765.40000110.3E482 K484 A485S480-E482 WeakPolarHBondContact CB-O 3.1Å; S480-E482 PolarHBondContact O-N 3.07Å; S480-E482 PolarHBondContact OG-O 3.14Å; S480-K484 WeakPolarHBondContact O-CA 3.34Å; S480-K484 PolarHBondContact O-N 3.02Å; S480-K484 VanDerWaalsContact O-N 3.16Å; S480-A485 PolarHBondContact N-O 2.98Å
481Q91.2Very high94.9Very high17 Ų1739.7 Ų39.78%0.07921%0.214CC..THydrogen-bonded Turntrans-65.8-29.9174.3-74.3176.2-58.100111.9R414 N462 Q466 L468 K484R414-Q481 PolarHBondContact O-NE2 2.82Å; N462-Q481 PolarHBondContact ND2-NE2 3.24Å; Q466-Q481 VanDerWaalsContact C-OE1 3.24Å; Q466-Q481 VanDerWaalsContact CB-OE1 3.27Å; Q466-Q481 WeakPolarHBondContact O-CB 3.21Å; Q466-Q481 WeakPolarHBondContact O-CG 3.43Å; Q466-Q481 PolarHBondContact O-N 2.83Å; L468-Q481 HydrophobicContact CD1-CG 4.39Å; L468-Q481 HydrophobicContact CD2-CG 3.87Å; L468-Q481 HydrophobicContact CG-CG 3.82Å; Q481-K484 WeakPolarHBondContact O-CG 3.37Å; Q481-K484 PolarHBondContact O-N 2.94Å
482E87.8Confident94.8Very high155 Ų15540.2 Ų40.272%0.72422%0.217SC*.THydrogen-bonded Turntrans-128123.1172.9-164.1174.9-175.800108.8S480S480-E482 WeakPolarHBondContact CB-O 3.1Å; S480-E482 PolarHBondContact O-N 3.07Å; S480-E482 PolarHBondContact OG-O 3.14Å
483P86.1Confident94.5Very high102 Ų10244.9 Ų44.966%0.66225%0.247SC*.THydrogen-bonded Turncis-91.835.91.238.8-35.9000113.9A485P483-A485 HydrophobicContact CG-CB 4.15Å
484K88.5Confident94.3Very high68 Ų6849.5 Ų49.530%0.29627%0.265SS..  trans63.844.4-173.6-54-176.3178.5-1750112.6S415 L448 M449 S480 Q481S415-K484 PolarHBondContact OG-NZ 2.82Å; L448-K484 HydrophobicContact CD1-CD 4.11Å; M449-K484 CarbonylContact C-O 3.3Å; M449-K484 HydrophobicContact CB-CB 3.89Å; M449-K484 WeakPolarHBondContact CB-O 3.45Å; S480-K484 WeakPolarHBondContact O-CA 3.34Å; S480-K484 PolarHBondContact O-N 3.02Å; S480-K484 VanDerWaalsContact O-N 3.16Å; Q481-K484 WeakPolarHBondContact O-CG 3.37Å; Q481-K484 PolarHBondContact O-N 2.94Å
485A92.9Very high94.1Very high41 Ų4152 Ų5234%0.33929%0.285SS..  trans-110.7144.3-178.700000112V479 S480 P483 V487V479-A485 CarbonylContact C-O 3.56Å; V479-A485 VanDerWaalsContact CA-O 3.31Å; V479-A485 WeakPolarHBondContact CA-O 3.02Å; S480-A485 PolarHBondContact N-O 2.98Å; P483-A485 HydrophobicContact CG-CB 4.15Å; A485-V487 PolarHBondContact O-N 3.01Å
486L95.6Very high94Very high67 Ų6757.1 Ų57.135%0.35131%0.307SS..EExtended strand (participates in β ladder)trans-63.5118.1170.1-178.275.7000109.4R477 V479 E489R477-L486 HydrophobicContact CB-CD1 3.75Å; R477-L486 HydrophobicContact CG-CD1 4.19Å; V479-L486 HydrophobicContact CG2-CD1 4.34Å; L486-E489 HydrophobicContact CD2-CB 4.39Å
487V95.7Very high93.9Very high42 Ų4262.3 Ų62.326%0.25534%0.335SS..EExtended strand (participates in β ladder)trans-104.6-29.8-178.6-69.70000112.9L478 A485 Q524L478-V487 HydrophobicContact CB-CG2 4.14Å; L478-V487 HydrophobicContact CD2-CG2 4.26Å; L478-V487 HydrophobicContact CG-CG2 3.91Å; L478-V487 WeakPolarHBondContact O-CG2 3.23Å; L478-V487 PolarHBondContact O-N 2.77Å; A485-V487 PolarHBondContact O-N 3.01Å; V487-Q524 HydrophobicContact CB-CB 3.94Å; V487-Q524 HydrophobicContact CB-CG 4.17Å; V487-Q524 HydrophobicContact CG1-CB 4.37Å; V487-Q524 HydrophobicContact CG1-CG 4.08Å; V487-Q524 HydrophobicContact CG2-CB 4.24Å; V487-Q524 HydrophobicContact CG2-CG 4.41Å
488S97Very high93.9Very high23 Ų2360.9 Ų60.916%0.16133%0.33CS..EExtended strand (participates in β ladder)trans-151.3147.2176.3-175.30000110.5L478 L526L478-S488 PolarHBondContact N-O 2.76Å; L478-S488 PolarHBondContact O-N 2.83Å; S488-L526 PolarHBondContact OG-N 2.92Å
489E97.1Very high93.7Very high72 Ų7262.9 Ų62.934%0.33634%0.344SS..EExtended strand (participates in β ladder)trans-136.9125.8176.2-174.4179.6-146.400108.9S475 V476 R477 L486 K491S475-E489 PolarHBondContact OG-OE1 3.32Å; V476-E489 CarbonylContact O-C 3.53Å; V476-E489 WeakPolarHBondContact O-CA 3.34Å; R477-E489 HydrophobicContact CG-CG 4.26Å; R477-E489 IonicContact NH1-OE1 2.67Å; R477-E489 PolarHBondContact NH1-OE1 2.87Å; L486-E489 HydrophobicContact CD2-CB 4.39Å; E489-K491 HydrophobicContact CG-CG 4.41Å; E489-K491 WeakPolarHBondContact OE1-CE 3.46Å; E489-K491 IonicContact OE1-NZ 3.78Å; E489-K491 PolarHBondContact OE1-NZ 2.82Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 3.66Å; E489-K491 PolarHBondContact OE2-NZ 2.99Å
490W97.7Very high93.7Very high21 Ų2164.3 Ų64.38%0.0835%0.353CS..EExtended strand (participates in β ladder)trans-105.4132.9171.5177.592.1000109.7S475 V476 E492 I498 V510 Y517 L519 L526S475-W490 VanDerWaalsContact CA-O 3.3Å; S475-W490 WeakPolarHBondContact CA-O 3.34Å; S475-W490 VanDerWaalsContact CB-O 3.3Å; S475-W490 WeakPolarHBondContact CB-O 3.41Å; V476-W490 HydrophobicContact CB-CB 4.3Å; V476-W490 HydrophobicContact CB-CE3 4.35Å; V476-W490 HydrophobicContact CG2-CE3 3.86Å; V476-W490 HydrophobicContact CG2-CZ3 4.43Å; V476-W490 PolarHBondContact N-O 2.98Å; V476-W490 PolarHBondContact O-N 3.45Å; W490-E492 HydrophobicContact CH2-CB 4.05Å; W490-I498 HydrophobicContact CZ3-CD1 4.09Å; W490-I498 HydrophobicContact CZ3-CG1 4.32Å; W490-V510 HydrophobicContact CE3-CG2 4.35Å; W490-V510 HydrophobicContact CH2-CG2 3.68Å; W490-V510 HydrophobicContact CZ3-CG2 3.54Å; W490-Y517 HydrophobicContact CH2-CD1 4.22Å; W490-Y517 AromaticContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CE2 4.38Å; W490-Y517 AromaticContact CH2-CG 3.76Å; W490-Y517 HydrophobicContact CH2-CG 3.76Å; W490-Y517 AromaticContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD2 4.13Å; W490-Y517 HydrophobicContact CZ2-CE1 4.19Å; W490-Y517 AromaticContact CZ2-CG 3.6Å; W490-Y517 HydrophobicContact CZ2-CG 3.6Å; W490-L519 HydrophobicContact CB-CD1 3.98Å; W490-L519 HydrophobicContact CD2-CD1 3.78Å; W490-L519 HydrophobicContact CD2-CD2 4.05Å; W490-L519 HydrophobicContact CE3-CD1 4.06Å; W490-L519 HydrophobicContact CG-CD1 3.75Å; W490-L519 HydrophobicContact CG-CD2 4.02Å; W490-L519 HydrophobicContact CZ2-CD2 4.47Å; W490-L526 HydrophobicContact CB-CB 4.35Å; W490-L526 HydrophobicContact CB-CD1 4.02Å
491K96.5Very high93.8Very high110 Ų11064.7 Ų64.748%0.47836%0.356SS..  trans-127.1147174.8-69.6-179.5176.7151.50108.9E489E489-K491 HydrophobicContact CG-CG 4.41Å; E489-K491 WeakPolarHBondContact OE1-CE 3.46Å; E489-K491 IonicContact OE1-NZ 3.78Å; E489-K491 PolarHBondContact OE1-NZ 2.82Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 3.66Å; E489-K491 PolarHBondContact OE2-NZ 2.99Å
492E95.3Very high94.1Very high11 Ų1164.5 Ų64.55%0.05136%0.357CS..  trans-63.4137.2174-169.7-79.7142.500109.8W490 Q494 A495 K496 V512 Y517W490-E492 HydrophobicContact CH2-CB 4.05Å; E492-Q494 PolarHBondContact O-N 3.04Å; E492-Q494 VanDerWaalsContact O-N 3.1Å; E492-Q494 PolarHBondContact OE1-N 2.78Å; E492-Q494 VanDerWaalsContact OE1-N 3.12Å; E492-Q494 WeakPolarHBondContact OE2-CA 3.21Å; E492-Q494 VanDerWaalsContact OE2-CB 3.26Å; E492-Q494 WeakPolarHBondContact OE2-CB 3.32Å; E492-Q494 PolarHBondContact OE2-N 2.79Å; E492-A495 WeakPolarHBondContact O-CA 3.15Å; E492-A495 PolarHBondContact O-N 3.38Å; E492-A495 PolarHBondContact OE2-N 2.69Å; E492-K496 HydrophobicContact CG-CB 4.47Å; E492-K496 WeakPolarHBondContact OE2-CB 3.26Å; E492-K496 PolarHBondContact OE2-N 2.88Å; E492-V512 HydrophobicContact CB-CG2 4.32Å; E492-V512 HydrophobicContact CG-CG1 4.23Å; E492-V512 HydrophobicContact CG-CG2 4.06Å; E492-Y517 HydrophobicContact CG-CE2 4.06Å; E492-Y517 PolarHBondContact OE1-OH 3.24Å
493P90.7Very high94.6Very high99 Ų9957.6 Ų57.664%0.64333%0.326SS*.THydrogen-bonded Turntrans-55.8-27.7-173.9-30.636.3000116.6
494Q91.6Very high95Very high130 Ų13053.6 Ų53.661%0.60730%0.299SS*.THydrogen-bonded Turntrans-10010.7177.2-55179.7-3.300112.8E492 K496E492-Q494 PolarHBondContact O-N 3.04Å; E492-Q494 VanDerWaalsContact O-N 3.1Å; E492-Q494 PolarHBondContact OE1-N 2.78Å; E492-Q494 VanDerWaalsContact OE1-N 3.12Å; E492-Q494 WeakPolarHBondContact OE2-CA 3.21Å; E492-Q494 VanDerWaalsContact OE2-CB 3.26Å; E492-Q494 WeakPolarHBondContact OE2-CB 3.32Å; E492-Q494 PolarHBondContact OE2-N 2.79Å; Q494-K496 HydrophobicContact CB-CD 4.4Å; Q494-K496 HydrophobicContact CB-CG 4.28Å; Q494-K496 PolarHBondContact O-N 2.99Å
495A91.1Very high95.2Very high86 Ų8652.9 Ų52.971%0.71130%0.302SS*.  trans54.132.1-176.100000113.8E492E492-A495 WeakPolarHBondContact O-CA 3.15Å; E492-A495 PolarHBondContact O-N 3.38Å; E492-A495 PolarHBondContact OE2-N 2.69Å
496K94.5Very high95.3Very high111 Ų11151.8 Ų51.848%0.48329%0.292SS..PPolyproline II helixtrans-76.2149171.4-70.3172.4173.1165.30110.5E492 Q494 V512E492-K496 HydrophobicContact CG-CB 4.47Å; E492-K496 WeakPolarHBondContact OE2-CB 3.26Å; E492-K496 PolarHBondContact OE2-N 2.88Å; Q494-K496 HydrophobicContact CB-CD 4.4Å; Q494-K496 HydrophobicContact CB-CG 4.28Å; Q494-K496 PolarHBondContact O-N 2.99Å; K496-V512 HydrophobicContact CB-CG1 3.42Å; K496-V512 VanDerWaalsContact CB-CG1 3.42Å; K496-V512 HydrophobicContact CD-CG1 4.17Å; K496-V512 HydrophobicContact CG-CG1 4.45Å
497N96.1Very high95.4Very high109 Ų10948.8 Ų48.858%0.58328%0.277SS*.PPolyproline II helixtrans-72.6133.7-179.2-68.5-17.7000111.4S473S473-N497 CarbonylContact O-C 3.59Å; S473-N497 WeakPolarHBondContact O-CA 3.43Å
498I97.3Very high95.5Very high5 Ų546.8 Ų46.83%0.02626%0.264CS..PPolyproline II helixtrans-57.1136.8162.7-62.3165.6000107.4F458 I471 T472 S473 V476 W490 A501 V510 V512F458-I498 HydrophobicContact CD2-CG2 4.23Å; F458-I498 VanDerWaalsContact CE2-O 3.31Å; F458-I498 WeakPolarHBondContact CE2-O 3.49Å; I471-I498 HydrophobicContact CG2-CD1 4.11Å; I471-I498 HydrophobicContact CG2-CG2 4.43Å; T472-I498 WeakPolarHBondContact O-CD1 3.46Å; S473-I498 PolarHBondContact O-N 3.31Å; V476-I498 HydrophobicContact CG2-CD1 4Å; W490-I498 HydrophobicContact CZ3-CD1 4.09Å; W490-I498 HydrophobicContact CZ3-CG1 4.32Å; I498-A501 HydrophobicContact CG2-CB 4.45Å; I498-V510 HydrophobicContact CD1-CG1 4.3Å; I498-V510 HydrophobicContact CG1-CB 4.44Å; I498-V510 HydrophobicContact CG2-CB 4.07Å; I498-V510 HydrophobicContact CG2-CG1 4.22Å; I498-V512 HydrophobicContact CG1-CG2 4.29Å
499S95.2Very high95.6Very high43 Ų4345.7 Ų45.730%0.30126%0.257SS..  trans-107.8-36.6178.557.20000112.5A511 G513S499-A511 PolarHBondContact N-O 2.74Å; S499-A511 PolarHBondContact OG-O 2.91Å; S499-G513 PolarHBondContact OG-N 3Å
500V95.7Very high95.6Very high29 Ų2942.3 Ų42.318%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-145.3145.7179.7-172.10000108.8A511 L541V500-A511 HydrophobicContact CB-CB 4.22Å; V500-A511 PolarHBondContact O-N 2.69Å; V500-L541 HydrophobicContact CB-CD2 3.84Å; V500-L541 HydrophobicContact CG1-CB 4.43Å; V500-L541 HydrophobicContact CG1-CD2 3.59Å; V500-L541 HydrophobicContact CG1-CG 3.85Å
501A97Very high95.6Very high17 Ų1741.3 Ų41.314%0.1424%0.237CC..EExtended strand (participates in β ladder)trans-141.7150.7178.300000111.6I471 I498 V509 V510I471-A501 HydrophobicContact CB-CB 4.25Å; I471-A501 HydrophobicContact CD1-CB 3.84Å; I471-A501 HydrophobicContact CG2-CB 3.64Å; I498-A501 HydrophobicContact CG2-CB 4.45Å; A501-V509 WeakPolarHBondContact CA-O 3.37Å; A501-V510 HydrophobicContact CB-CG1 3.92Å
502S96.9Very high95.6Very high13 Ų1336.7 Ų36.79%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-143.2146.1166.1-171.80000108.8V509 I543S502-V509 PolarHBondContact N-O 3.12Å; S502-V509 PolarHBondContact O-N 2.74Å; S502-I543 PolarHBondContact OG-N 2.87Å
503C97.1Very high95.5Very high11 Ų1137.1 Ų37.17%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-146.8137-173.6-178.40000108.6F459 I471 Q507 V508F459-C503 HydrophobicContact CD1-CB 3.53Å; F459-C503 HydrophobicContact CD2-CB 4.41Å; F459-C503 HydrophobicContact CE1-CB 3.35Å; F459-C503 HydrophobicContact CE2-CB 4.22Å; F459-C503 HydrophobicContact CG-CB 4.09Å; F459-C503 HydrophobicContact CZ-CB 3.71Å; F459-C503 WeakPolarHBondContact CZ-O 3.31Å; I471-C503 HydrophobicContact CD1-CB 4.21Å; C503-Q507 WeakPolarHBondContact CA-O 3.38Å; C503-Q507 PolarHBondContact SG-O 3.11Å; C503-V508 HydrophobicContact CB-CG2 4.42Å
504N95.4Very high95.7Very high17 Ų1738.4 Ų38.49%0.09122%0.217CC..  trans-111.7-161.5165.365.734.1000109.1S506 Q507 I543N504-S506 PolarHBondContact O-N 3.49Å; N504-S506 PolarHBondContact OD1-N 2.77Å; N504-Q507 PolarHBondContact N-O 3.32Å; N504-Q507 PolarHBondContact ND2-OE1 3.24Å; N504-Q507 WeakPolarHBondContact OD1-CB 3.48Å; N504-Q507 PolarHBondContact OD1-N 3.02Å; N504-I543 PolarHBondContact ND2-O 3.09Å
505S93.2Very high96Very high53 Ų5333 Ų3337%0.37120%0.196SC..SBendtrans-65.3-20.9-177.1630000114.3V463 A464V463-S505 WeakPolarHBondContact CB-O 3.29Å; A464-S505 VanDerWaalsContact CB-O 3.28Å; A464-S505 WeakPolarHBondContact CB-O 3.46Å; A464-S505 PolarHBondContact N-O 2.84Å
506S95Very high96.3Very high19 Ų1929 Ų2913%0.13316%0.162CC..SBendtrans-138.8-9.8-169.860.40000115N504 I521 G551 L552N504-S506 PolarHBondContact O-N 3.49Å; N504-S506 PolarHBondContact OD1-N 2.77Å; S506-I521 PolarHBondContact O-N 2.97Å; S506-G551 PolarHBondContact OG-O 2.83Å; S506-L552 VanDerWaalsContact OG-CD2 3.23Å; S506-L552 WeakPolarHBondContact OG-CD2 3.15Å
507Q97Very high96.4Very high4 Ų424.6 Ų24.62%0.01914%0.142CC..EExtended strand (participates in β ladder)trans-129.4145.6-175.2-64.2169.1-5700110.5C503 N504 Y518 I543 L552 S553C503-Q507 WeakPolarHBondContact CA-O 3.38Å; C503-Q507 PolarHBondContact SG-O 3.11Å; N504-Q507 PolarHBondContact N-O 3.32Å; N504-Q507 PolarHBondContact ND2-OE1 3.24Å; N504-Q507 WeakPolarHBondContact OD1-CB 3.48Å; N504-Q507 PolarHBondContact OD1-N 3.02Å; Q507-Y518 HydrophobicContact CB-CE2 3.86Å; Q507-Y518 HydrophobicContact CG-CE2 3.74Å; Q507-Y518 PolarHBondContact NE2-OH 3.47Å; Q507-I543 HydrophobicContact CB-CD1 3.81Å; Q507-I543 WeakPolarHBondContact O-CD1 3.32Å; Q507-L552 HydrophobicContact CG-CD2 3.63Å; Q507-S553 PolarHBondContact NE2-O 3.35Å; Q507-S553 PolarHBondContact OE1-O 3.48Å
508V97.9Very high96.5Very high0 Ų019.7 Ų19.70%012%0.116CC..EExtended strand (participates in β ladder)trans-128.7132.4172.2-173.80000108.1I469 I471 V476 C503 V510 L519 I521I469-V508 HydrophobicContact CD1-CG2 3.41Å; I469-V508 VanDerWaalsContact CD1-CG2 3.41Å; I471-V508 HydrophobicContact CD1-CG1 3.56Å; V476-V508 HydrophobicContact CG1-CG1 4.33Å; V476-V508 HydrophobicContact CG2-CG1 4.37Å; C503-V508 HydrophobicContact CB-CG2 4.42Å; V508-V510 HydrophobicContact CG1-CG1 3.9Å; V508-L519 HydrophobicContact CB-CB 4.11Å; V508-L519 HydrophobicContact CB-CD1 4.38Å; V508-L519 HydrophobicContact CB-CG 4.45Å; V508-L519 HydrophobicContact CG1-CD1 4.4Å; V508-L519 PolarHBondContact N-O 3.34Å; V508-L519 PolarHBondContact O-N 3.01Å; V508-I521 HydrophobicContact CG2-CD1 3.92Å; V508-I521 HydrophobicContact CG2-CG1 3.98Å
509V98.2Very high96.5Very high0 Ų019.4 Ų19.40%011%0.114CC..EExtended strand (participates in β ladder)trans-119.7126.8165.1177.10000108.4A501 S502 L516 Y517 Y518 L541 I543 L571 F574A501-V509 WeakPolarHBondContact CA-O 3.37Å; S502-V509 PolarHBondContact N-O 3.12Å; S502-V509 PolarHBondContact O-N 2.74Å; V509-L516 HydrophobicContact CG1-CD2 4.19Å; V509-Y517 WeakPolarHBondContact CA-O 3.16Å; V509-Y518 HydrophobicContact CG2-CD2 3.83Å; V509-L541 HydrophobicContact CB-CD1 3.88Å; V509-L541 HydrophobicContact CG1-CD1 3.91Å; V509-I543 HydrophobicContact CB-CG2 4.21Å; V509-I543 HydrophobicContact CG2-CD1 4.33Å; V509-I543 HydrophobicContact CG2-CG2 3.75Å; V509-L571 HydrophobicContact CG2-CD1 4.35Å; V509-L571 HydrophobicContact CG2-CD2 4.22Å; V509-F574 HydrophobicContact CG1-CE1 4.2Å; V509-F574 HydrophobicContact CG1-CZ 4.32Å; V509-F574 HydrophobicContact CG2-CE1 4.5Å
510V97.9Very high96.6Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-121.9139.9175.1-64.40000110.4I471 V476 W490 I498 A501 V508 Y517I471-V510 HydrophobicContact CD1-CG1 4.47Å; I471-V510 HydrophobicContact CG2-CG1 4.22Å; V476-V510 HydrophobicContact CG2-CG1 3.73Å; W490-V510 HydrophobicContact CE3-CG2 4.35Å; W490-V510 HydrophobicContact CH2-CG2 3.68Å; W490-V510 HydrophobicContact CZ3-CG2 3.54Å; I498-V510 HydrophobicContact CD1-CG1 4.3Å; I498-V510 HydrophobicContact CG1-CB 4.44Å; I498-V510 HydrophobicContact CG2-CB 4.07Å; I498-V510 HydrophobicContact CG2-CG1 4.22Å; A501-V510 HydrophobicContact CB-CG1 3.92Å; V508-V510 HydrophobicContact CG1-CG1 3.9Å; V510-Y517 HydrophobicContact CG2-CD2 4.41Å; V510-Y517 PolarHBondContact N-O 3.49Å; V510-Y517 PolarHBondContact O-N 2.95Å
511A97.5Very high96.6Very high0 Ų018.8 Ų18.80%011%0.105CC..EExtended strand (participates in β ladder)trans-102.6137.5170.900000110.1S499 V500 A515 L516 V538 L541S499-A511 PolarHBondContact N-O 2.74Å; S499-A511 PolarHBondContact OG-O 2.91Å; V500-A511 HydrophobicContact CB-CB 4.22Å; V500-A511 PolarHBondContact O-N 2.69Å; A511-A515 CarbonylContact C-O 3.57Å; A511-A515 VanDerWaalsContact CA-O 3.32Å; A511-A515 WeakPolarHBondContact CA-O 3.27Å; A511-L516 HydrophobicContact CB-CD2 3.82Å; A511-V538 HydrophobicContact CB-CB 3.74Å; A511-V538 HydrophobicContact CB-CG1 3.97Å; A511-V538 HydrophobicContact CB-CG2 4.07Å; A511-L541 HydrophobicContact CB-CD2 4.08Å
512V96.7Very high96.6Very high13 Ų1320.3 Ų20.38%0.07911%0.109CC..EExtended strand (participates in β ladder)trans-123.884.3172.1178.30000106.3E492 K496 I498 R514 A515 Y517E492-V512 HydrophobicContact CB-CG2 4.32Å; E492-V512 HydrophobicContact CG-CG1 4.23Å; E492-V512 HydrophobicContact CG-CG2 4.06Å; K496-V512 HydrophobicContact CB-CG1 3.42Å; K496-V512 VanDerWaalsContact CB-CG1 3.42Å; K496-V512 HydrophobicContact CD-CG1 4.17Å; K496-V512 HydrophobicContact CG-CG1 4.45Å; I498-V512 HydrophobicContact CG1-CG2 4.29Å; V512-R514 PolarHBondContact O-N 2.81Å; V512-A515 PolarHBondContact N-O 2.75Å; V512-A515 PolarHBondContact O-N 3.07Å; V512-A515 VanDerWaalsContact O-N 3.14Å; V512-Y517 HydrophobicContact CB-CE2 4.16Å; V512-Y517 HydrophobicContact CG2-CD2 4.23Å; V512-Y517 HydrophobicContact CG2-CE2 3.96Å
513G94.3Very high96.5Very high20 Ų2023.7 Ų23.721%0.20613%0.13CC..THydrogen-bonded Turntrans63.3-103.4-168.900000111.4S499 V538S499-G513 PolarHBondContact OG-N 3Å; G513-V538 PolarHBondContact O-N 2.99Å
514R94.9Very high96.3Very high126 Ų12629.1 Ų29.148%0.47516%0.155SC..THydrogen-bonded Turntrans-94.5-20.9178.6-57.2-172.4-175.7170.5-1.3113.8V512 E533 M534V512-R514 PolarHBondContact O-N 2.81Å; R514-E533 HydrophobicContact CB-CG 4.02Å; R514-M534 WeakPolarHBondContact O-CB 3.31Å; R514-M534 PolarHBondContact O-N 2.94Å
515A96.5Very high96.4Very high18 Ų1832 Ų3215%0.14917%0.168CC..EExtended strand (participates in β ladder)trans-80.4133.8-177.600000110A511 V512 Y517 T532A511-A515 CarbonylContact C-O 3.57Å; A511-A515 VanDerWaalsContact CA-O 3.32Å; A511-A515 WeakPolarHBondContact CA-O 3.27Å; V512-A515 PolarHBondContact N-O 2.75Å; V512-A515 PolarHBondContact O-N 3.07Å; V512-A515 VanDerWaalsContact O-N 3.14Å; A515-Y517 HydrophobicContact CB-CE2 3.69Å; A515-T532 CarbonylContact C-O 3.42Å; A515-T532 WeakPolarHBondContact CA-O 3.31Å
516L97.5Very high96.6Very high0 Ų030.3 Ų30.30%015%0.154CC..EExtended strand (participates in β ladder)trans-110136.2172.8-72.3174.7000109.4V509 A511 H531 T532 M534 V538 I558 L569 F574V509-L516 HydrophobicContact CG1-CD2 4.19Å; A511-L516 HydrophobicContact CB-CD2 3.82Å; L516-H531 CarbonylContact O-C 3.29Å; L516-H531 WeakPolarHBondContact O-CA 3.18Å; L516-T532 HydrophobicContact CB-CG2 3.96Å; L516-T532 HydrophobicContact CD1-CG2 4.22Å; L516-T532 PolarHBondContact N-O 3.22Å; L516-T532 PolarHBondContact O-N 3.39Å; L516-M534 HydrophobicContact CD1-CG 3.7Å; L516-M534 HydrophobicContact CD1-SD 3.75Å; L516-M534 HydrophobicContact CG-CG 4.08Å; L516-V538 HydrophobicContact CD2-CG2 3.96Å; L516-V538 HydrophobicContact CG-CG2 4.29Å; L516-I558 HydrophobicContact CD1-CD1 4.28Å; L516-I558 HydrophobicContact CD1-CG2 4.48Å; L516-L569 HydrophobicContact CD1-CD1 3.82Å; L516-F574 HydrophobicContact CB-CE1 4.09Å; L516-F574 HydrophobicContact CB-CE2 4.29Å; L516-F574 HydrophobicContact CB-CZ 3.89Å; L516-F574 HydrophobicContact CD1-CD1 4.25Å; L516-F574 HydrophobicContact CD1-CE1 4.19Å
517Y98Very high96.7Very high20 Ų2034.7 Ų34.78%0.07817%0.168CC..EExtended strand (participates in β ladder)trans-124.1129.9174.9-59.4-95.5000109.2W490 E492 V509 V510 V512 A515 H531W490-Y517 HydrophobicContact CH2-CD1 4.22Å; W490-Y517 AromaticContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CE2 4.38Å; W490-Y517 AromaticContact CH2-CG 3.76Å; W490-Y517 HydrophobicContact CH2-CG 3.76Å; W490-Y517 AromaticContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD2 4.13Å; W490-Y517 HydrophobicContact CZ2-CE1 4.19Å; W490-Y517 AromaticContact CZ2-CG 3.6Å; W490-Y517 HydrophobicContact CZ2-CG 3.6Å; E492-Y517 HydrophobicContact CG-CE2 4.06Å; E492-Y517 PolarHBondContact OE1-OH 3.24Å; V509-Y517 WeakPolarHBondContact CA-O 3.16Å; V510-Y517 HydrophobicContact CG2-CD2 4.41Å; V510-Y517 PolarHBondContact N-O 3.49Å; V510-Y517 PolarHBondContact O-N 2.95Å; V512-Y517 HydrophobicContact CB-CE2 4.16Å; V512-Y517 HydrophobicContact CG2-CD2 4.23Å; V512-Y517 HydrophobicContact CG2-CE2 3.96Å; A515-Y517 HydrophobicContact CB-CE2 3.69Å; Y517-H531 HydrophobicContact CD1-CB 3.76Å; Y517-H531 HydrophobicContact CE1-CB 3.96Å; Y517-H531 HydrophobicContact CG-CB 4.5Å
518Y98Very high96.6Very high5 Ų538.3 Ų38.32%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-106.8121.8174.7169.3-113000109.6Q507 V509 Q520 I529 S530 L571 P572 F574Q507-Y518 HydrophobicContact CB-CE2 3.86Å; Q507-Y518 HydrophobicContact CG-CE2 3.74Å; Q507-Y518 PolarHBondContact NE2-OH 3.47Å; V509-Y518 HydrophobicContact CG2-CD2 3.83Å; Y518-Q520 HydrophobicContact CE1-CG 3.86Å; Y518-Q520 WeakPolarHBondContact OH-CG 3.14Å; Y518-Q520 PolarHBondContact OH-NE2 2.72Å; Y518-I529 HydrophobicContact CD1-CB 3.61Å; Y518-I529 HydrophobicContact CD1-CG1 4.16Å; Y518-I529 HydrophobicContact CD1-CG2 4Å; Y518-I529 HydrophobicContact CE1-CB 3.79Å; Y518-I529 HydrophobicContact CE1-CG1 3.94Å; Y518-I529 HydrophobicContact CE1-CG2 3.95Å; Y518-I529 PolarHBondContact O-N 3.16Å; Y518-S530 PolarHBondContact N-O 3.21Å; Y518-L571 HydrophobicContact CD2-CD1 4.23Å; Y518-L571 HydrophobicContact CD2-CD2 3.81Å; Y518-L571 HydrophobicContact CE2-CD1 4.01Å; Y518-L571 HydrophobicContact CE2-CD2 4.23Å; Y518-L571 HydrophobicContact CG-CD2 4.09Å; Y518-P572 HydrophobicContact CD1-CB 3.62Å; Y518-P572 HydrophobicContact CE1-CB 3.38Å; Y518-F574 VanDerWaalsContact CB-CZ 3.45Å
519L97.6Very high96.6Very high0 Ų041.7 Ų41.70%020%0.202CC..EExtended strand (participates in β ladder)trans-114.3142.3178.1-38.2174.5000109.9V476 W490 V508 R527 Q528V476-L519 HydrophobicContact CB-CD1 4.2Å; V476-L519 HydrophobicContact CG1-CD1 4.23Å; V476-L519 HydrophobicContact CG2-CD1 4.01Å; W490-L519 HydrophobicContact CB-CD1 3.98Å; W490-L519 HydrophobicContact CD2-CD1 3.78Å; W490-L519 HydrophobicContact CD2-CD2 4.05Å; W490-L519 HydrophobicContact CE3-CD1 4.06Å; W490-L519 HydrophobicContact CG-CD1 3.75Å; W490-L519 HydrophobicContact CG-CD2 4.02Å; W490-L519 HydrophobicContact CZ2-CD2 4.47Å; V508-L519 HydrophobicContact CB-CB 4.11Å; V508-L519 HydrophobicContact CB-CD1 4.38Å; V508-L519 HydrophobicContact CB-CG 4.45Å; V508-L519 HydrophobicContact CG1-CD1 4.4Å; V508-L519 PolarHBondContact N-O 3.34Å; V508-L519 PolarHBondContact O-N 3.01Å; L519-R527 CarbonylContact C-O 3.58Å; L519-R527 WeakPolarHBondContact CA-O 3.36Å; L519-Q528 HydrophobicContact CD2-CB 3.61Å; L519-Q528 HydrophobicContact CD2-CG 3.87Å
520Q96.4Very high96.5Very high52 Ų5242.9 Ų42.924%0.24321%0.211CC..EExtended strand (participates in β ladder)trans-105137.4167.9-78-177.5-26.900110.3Y518 R527 I529Y518-Q520 HydrophobicContact CE1-CG 3.86Å; Y518-Q520 WeakPolarHBondContact OH-CG 3.14Å; Y518-Q520 PolarHBondContact OH-NE2 2.72Å; Q520-R527 PolarHBondContact N-O 3.47Å; Q520-R527 PolarHBondContact O-N 3.02Å; Q520-I529 HydrophobicContact CB-CD1 4.24Å; Q520-I529 HydrophobicContact CB-CG1 3.92Å; Q520-I529 HydrophobicContact CG-CD1 4.35Å; Q520-I529 HydrophobicContact CG-CG1 3.67Å
521I96.5Very high96.3Very high7 Ų748.9 Ų48.94%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-86.7112.9176-57.2170.9000107.2V463 I469 L478 S506 V508 L526V463-I521 HydrophobicContact CB-CD1 3.74Å; V463-I521 HydrophobicContact CG1-CD1 3.68Å; V463-I521 HydrophobicContact CG2-CD1 4.1Å; V463-I521 HydrophobicContact CG2-CG2 4.17Å; I469-I521 HydrophobicContact CD1-CD1 4.04Å; L478-I521 HydrophobicContact CD1-CG2 3.94Å; L478-I521 HydrophobicContact CD2-CG2 4.33Å; S506-I521 PolarHBondContact O-N 2.97Å; V508-I521 HydrophobicContact CG2-CD1 3.92Å; V508-I521 HydrophobicContact CG2-CG1 3.98Å; I521-L526 HydrophobicContact CG1-CD2 4.15Å
522H95.4Very high96.3Very high49 Ų4951 Ų5123%0.22725%0.251CS..EExtended strand (participates in β ladder)trans-107.7169.9171.6-71-77.3000109.7Q467 Q524 E525Q467-H522 PolarHBondContact NE2-O 2.77Å; H522-Q524 PolarHBondContact O-N 2.82Å; H522-E525 HydrophobicContact CB-CB 4.25Å; H522-E525 WeakPolarHBondContact CB-O 3.43Å; H522-E525 PolarHBondContact N-O 2.93Å; H522-E525 PolarHBondContact O-N 3.36Å
523P94.9Very high96.2Very high83 Ų8357.2 Ų57.254%0.53928%0.279SS..THydrogen-bonded Turntrans-55.3113.4172.8-2433.9000110E525P523-E525 PolarHBondContact O-N 3.45Å; P523-E525 VanDerWaalsContact O-N 3.09Å
524Q94.1Very high96.2Very high125 Ų12557.1 Ų57.158%0.58427%0.274SS*.THydrogen-bonded Turntrans57.417.3179.4-57.1-173.8-10.300116.3V487 H522V487-Q524 HydrophobicContact CB-CB 3.94Å; V487-Q524 HydrophobicContact CB-CG 4.17Å; V487-Q524 HydrophobicContact CG1-CB 4.37Å; V487-Q524 HydrophobicContact CG1-CG 4.08Å; V487-Q524 HydrophobicContact CG2-CB 4.24Å; V487-Q524 HydrophobicContact CG2-CG 4.41Å; H522-Q524 PolarHBondContact O-N 2.82Å
525E96.7Very high96.1Very high79 Ų7956.5 Ų56.537%0.36928%0.277SS..EExtended strand (participates in β ladder)trans-143.4131.1-175.4-169.8-172.5169.900111.3H522 P523 R527H522-E525 HydrophobicContact CB-CB 4.25Å; H522-E525 WeakPolarHBondContact CB-O 3.43Å; H522-E525 PolarHBondContact N-O 2.93Å; H522-E525 PolarHBondContact O-N 3.36Å; P523-E525 PolarHBondContact O-N 3.45Å; P523-E525 VanDerWaalsContact O-N 3.09Å; E525-R527 HydrophobicContact CG-CG 4.03Å; E525-R527 WeakPolarHBondContact OE1-CG 3.32Å; E525-R527 IonicContact OE1-CZ 2.73Å; E525-R527 IonicContact OE1-NE 3.59Å; E525-R527 PolarHBondContact OE1-NE 3.17Å; E525-R527 IonicContact OE1-NH2 2.87Å; E525-R527 IonicContact OE2-CZ 2.73Å; E525-R527 VanDerWaalsContact OE2-CZ 3.26Å; E525-R527 IonicContact OE2-NE 2.68Å; E525-R527 PolarHBondContact OE2-NE 3.42Å; E525-R527 IonicContact OE2-NH2 3.43Å; E525-R527 PolarHBondContact OE2-NH2 3.02Å
526L97.2Very high95.9Very high16 Ų1657.9 Ų57.98%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-94.9115.9166.7-68169.4000109.1I469 V476 L478 S488 W490 I521I469-L526 HydrophobicContact CD1-CD2 4.48Å; V476-L526 HydrophobicContact CB-CD1 4.14Å; V476-L526 HydrophobicContact CG1-CD1 3.68Å; V476-L526 HydrophobicContact CG1-CD2 4.3Å; V476-L526 VanDerWaalsContact O-CD1 3.28Å; V476-L526 WeakPolarHBondContact O-CD1 3.23Å; L478-L526 HydrophobicContact CB-CD1 4.03Å; L478-L526 HydrophobicContact CB-CD2 4.26Å; L478-L526 HydrophobicContact CB-CG 3.94Å; L478-L526 HydrophobicContact CD1-CD2 4.39Å; L478-L526 HydrophobicContact CD2-CD2 3.98Å; L478-L526 HydrophobicContact CD2-CG 3.89Å; L478-L526 HydrophobicContact CG-CD2 4.48Å; L478-L526 HydrophobicContact CG-CG 4.49Å; S488-L526 PolarHBondContact OG-N 2.92Å; W490-L526 HydrophobicContact CB-CB 4.35Å; W490-L526 HydrophobicContact CB-CD1 4.02Å; I521-L526 HydrophobicContact CG1-CD2 4.15Å
527R96.8Very high95.8Very high112 Ų11261.7 Ų61.742%0.42330%0.297SS..EExtended strand (participates in β ladder)trans-105.2122.2176.5-70-169.7-177.8154.77.4111.4L519 Q520 E525 I529L519-R527 CarbonylContact C-O 3.58Å; L519-R527 WeakPolarHBondContact CA-O 3.36Å; Q520-R527 PolarHBondContact N-O 3.47Å; Q520-R527 PolarHBondContact O-N 3.02Å; E525-R527 HydrophobicContact CG-CG 4.03Å; E525-R527 WeakPolarHBondContact OE1-CG 3.32Å; E525-R527 IonicContact OE1-CZ 2.73Å; E525-R527 IonicContact OE1-NE 3.59Å; E525-R527 PolarHBondContact OE1-NE 3.17Å; E525-R527 IonicContact OE1-NH2 2.87Å; E525-R527 IonicContact OE2-CZ 2.73Å; E525-R527 VanDerWaalsContact OE2-CZ 3.26Å; E525-R527 IonicContact OE2-NE 2.68Å; E525-R527 PolarHBondContact OE2-NE 3.42Å; E525-R527 IonicContact OE2-NH2 3.43Å; E525-R527 PolarHBondContact OE2-NH2 3.02Å; R527-I529 HydrophobicContact CB-CD1 3.97Å; R527-I529 PolarHBondContact O-N 3.04Å
528Q96.5Very high95.8Very high79 Ų7960.8 Ų60.837%0.36929%0.294SS..EExtended strand (participates in β ladder)trans-74.7114.5167.7-175.9-177.1-43.600109.8L519L519-Q528 HydrophobicContact CD2-CB 3.61Å; L519-Q528 HydrophobicContact CD2-CG 3.87Å
529I96.4Very high95.7Very high72 Ų7261.2 Ų61.237%0.36930%0.299SS..EExtended strand (participates in β ladder)trans-93.9-41-175.5-56.8-55.9000111.1Y518 Q520 R527 P572Y518-I529 HydrophobicContact CD1-CB 3.61Å; Y518-I529 HydrophobicContact CD1-CG1 4.16Å; Y518-I529 HydrophobicContact CD1-CG2 4Å; Y518-I529 HydrophobicContact CE1-CB 3.79Å; Y518-I529 HydrophobicContact CE1-CG1 3.94Å; Y518-I529 HydrophobicContact CE1-CG2 3.95Å; Y518-I529 PolarHBondContact O-N 3.16Å; Q520-I529 HydrophobicContact CB-CD1 4.24Å; Q520-I529 HydrophobicContact CB-CG1 3.92Å; Q520-I529 HydrophobicContact CG-CD1 4.35Å; Q520-I529 HydrophobicContact CG-CG1 3.67Å; R527-I529 HydrophobicContact CB-CD1 3.97Å; R527-I529 PolarHBondContact O-N 3.04Å; I529-P572 HydrophobicContact CG2-CB 4.04Å
530S96.4Very high95.6Very high25 Ų2561.5 Ų61.518%0.17530%0.3CS..EExtended strand (participates in β ladder)trans-151.5162.1-178.7630000111.6Y518 P572 F574Y518-S530 PolarHBondContact N-O 3.21Å; S530-P572 VanDerWaalsContact CB-O 3.27Å; S530-P572 WeakPolarHBondContact CB-O 3.49Å; S530-P572 PolarHBondContact OG-O 3.18Å; S530-F574 WeakPolarHBondContact OG-CE2 3.49Å
531H95.1Very high95.6Very high126 Ų12659.6 Ų59.658%0.58329%0.292SS*.EExtended strand (participates in β ladder)trans-142.5152170.379.8-71.2000109.3L516 Y517L516-H531 CarbonylContact O-C 3.29Å; L516-H531 WeakPolarHBondContact O-CA 3.18Å; Y517-H531 HydrophobicContact CD1-CB 3.76Å; Y517-H531 HydrophobicContact CE1-CB 3.96Å; Y517-H531 HydrophobicContact CG-CB 4.5Å
532T96.1Very high95.7Very high44 Ų4459.8 Ų59.827%0.2729%0.293SS..EExtended strand (participates in β ladder)trans-146165.8171.4-165.50000110A515 L516 M534 F574A515-T532 CarbonylContact C-O 3.42Å; A515-T532 WeakPolarHBondContact CA-O 3.31Å; L516-T532 HydrophobicContact CB-CG2 3.96Å; L516-T532 HydrophobicContact CD1-CG2 4.22Å; L516-T532 PolarHBondContact N-O 3.22Å; L516-T532 PolarHBondContact O-N 3.39Å; T532-M534 HydrophobicContact CG2-SD 4.33Å; T532-F574 HydrophobicContact CG2-CB 3.49Å; T532-F574 VanDerWaalsContact CG2-CB 3.49Å; T532-F574 HydrophobicContact CG2-CD1 4.33Å; T532-F574 HydrophobicContact CG2-CD2 3.68Å; T532-F574 HydrophobicContact CG2-CE2 4.41Å; T532-F574 HydrophobicContact CG2-CG 3.61Å
533E95.2Very high95.8Very high143 Ų14357.5 Ų57.567%0.66828%0.283SS*.EExtended strand (participates in β ladder)trans-119.6124.4173.3-169.6175.317600109.9R514R514-E533 HydrophobicContact CB-CG 4.02Å
534M94.7Very high95.8Very high19 Ų1955.4 Ų55.49%0.09427%0.268CS..  trans-81.1158.6178.6-60.5-57.1-56.800111.5R514 L516 T532 H536 V538 I558 L560 L569R514-M534 WeakPolarHBondContact O-CB 3.31Å; R514-M534 PolarHBondContact O-N 2.94Å; L516-M534 HydrophobicContact CD1-CG 3.7Å; L516-M534 HydrophobicContact CD1-SD 3.75Å; L516-M534 HydrophobicContact CG-CG 4.08Å; T532-M534 HydrophobicContact CG2-SD 4.33Å; M534-H536 WeakPolarHBondContact CB-O 3.46Å; M534-H536 PolarHBondContact O-N 3.04Å; M534-V538 HydrophobicContact CG-CG2 4.23Å; M534-I558 HydrophobicContact CE-CD1 3.43Å; M534-I558 VanDerWaalsContact CE-CD1 3.43Å; M534-I558 HydrophobicContact CG-CD1 4.28Å; M534-I558 HydrophobicContact SD-CD1 3.92Å; M534-L560 HydrophobicContact CB-CD2 4.42Å; M534-L560 HydrophobicContact CE-CD1 4.23Å; M534-L569 HydrophobicContact SD-CD1 4.16Å
535E92Very high95.7Very high113 Ų11351.8 Ų51.853%0.52826%0.255SS..SBendtrans-60.6-34.9176.1-66.3167-178.600112.5R567 K579E535-R567 IonicContact OE1-NH1 2.69Å; E535-R567 IonicContact OE2-CZ 2.85Å; E535-R567 IonicContact OE2-NH1 3.7Å; E535-R567 PolarHBondContact OE2-NH1 3.23Å; E535-R567 IonicContact OE2-NH2 3.69Å; E535-R567 PolarHBondContact OE2-NH2 3.48Å; E535-K579 IonicContact OE2-NZ 3.47Å
536H93.7Very high95.3Very high46 Ų4648.3 Ų48.321%0.21324%0.24CC..SBendtrans-136.7168.1-175.8-58.3-52.8000111.3M534 L560 D563M534-H536 WeakPolarHBondContact CB-O 3.46Å; M534-H536 PolarHBondContact O-N 3.04Å; H536-L560 HydrophobicContact CB-CB 4.33Å; H536-L560 HydrophobicContact CB-CD1 4.3Å; H536-D563 IonicContact CD2-OD1 2.77Å
537E95Very high94.5Very high80 Ų8049.8 Ų49.837%0.37426%0.258SS..  trans-67.9139.4-179-175.9163.5-176.200111.8L560 W561E537-L560 WeakPolarHBondContact O-CA 3.13Å; E537-W561 HydrophobicContact CB-CB 4.44Å; E537-W561 HydrophobicContact CB-CG 4.37Å; E537-W561 PolarHBondContact O-N 3.24Å
538V96.8Very high93.2Very high1 Ų152.5 Ų52.51%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-81.5125.4-178.2-177.50000109.8A511 G513 L516 M534 L541 I558 L560A511-V538 HydrophobicContact CB-CB 3.74Å; A511-V538 HydrophobicContact CB-CG1 3.97Å; A511-V538 HydrophobicContact CB-CG2 4.07Å; G513-V538 PolarHBondContact O-N 2.99Å; L516-V538 HydrophobicContact CD2-CG2 3.96Å; L516-V538 HydrophobicContact CG-CG2 4.29Å; M534-V538 HydrophobicContact CG-CG2 4.23Å; V538-L541 HydrophobicContact CG1-CB 4.36Å; V538-L541 HydrophobicContact CG1-CD2 4.48Å; V538-I558 HydrophobicContact CG1-CB 4.48Å; V538-L560 HydrophobicContact CB-CD2 4.41Å; V538-L560 HydrophobicContact CG2-CD2 3.91Å
539A95.9Very high91.7Very high14 Ų1450.5 Ų50.512%0.11628%0.276CS..EExtended strand (participates in β ladder)trans-95.1-39.2-176.800000113.2G559 W561 P588A539-G559 PolarHBondContact N-O 2.56Å; A539-W561 HydrophobicContact CB-CG 4.28Å; A539-P588 HydrophobicContact CB-CG 4.1Å; A539-P588 WeakPolarHBondContact CB-O 3.45Å
540C96.3Very high90.7Very high6 Ų654.8 Ų54.84%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-154.4151.8-18055.60000109I558 G559 I591C540-I558 CarbonylContact O-C 3.11Å; C540-I558 WeakPolarHBondContact O-CA 3.09Å; C540-G559 PolarHBondContact O-N 3.47Å; C540-I591 HydrophobicContact CB-CB 4.41Å; C540-I591 HydrophobicContact CB-CG2 3.98Å
541L96.8Very high89.9Confident13 Ų1354.6 Ų54.67%0.06830%0.302CS..EExtended strand (participates in β ladder)trans-148.4149.8-179.878.998000112V500 V509 A511 V538 A557 I558V500-L541 HydrophobicContact CB-CD2 3.84Å; V500-L541 HydrophobicContact CG1-CB 4.43Å; V500-L541 HydrophobicContact CG1-CD2 3.59Å; V500-L541 HydrophobicContact CG1-CG 3.85Å; V509-L541 HydrophobicContact CB-CD1 3.88Å; V509-L541 HydrophobicContact CG1-CD1 3.91Å; A511-L541 HydrophobicContact CB-CD2 4.08Å; V538-L541 HydrophobicContact CG1-CB 4.36Å; V538-L541 HydrophobicContact CG1-CD2 4.48Å; L541-A557 CarbonylContact C-O 3.58Å; L541-A557 VanDerWaalsContact CA-O 3.26Å; L541-A557 WeakPolarHBondContact CA-O 3.24Å; L541-I558 HydrophobicContact CB-CG2 3.98Å
542D97.8Very high89.6Confident11 Ų1152.3 Ų52.36%0.05929%0.293CS..EExtended strand (participates in β ladder)trans-144.8143.8178.5-177.349.9000112.4T544 C556 A557 I591 M593D542-T544 PolarHBondContact OD1-N 3.24Å; D542-T544 PolarHBondContact OD1-OG1 2.92Å; D542-T544 WeakPolarHBondContact OD2-CB 3.45Å; D542-T544 PolarHBondContact OD2-N 3.41Å; D542-T544 PolarHBondContact OD2-OG1 2.65Å; D542-C556 WeakPolarHBondContact O-CA 3.33Å; D542-A557 PolarHBondContact N-O 2.91Å; D542-A557 PolarHBondContact O-N 2.85Å; D542-I591 HydrophobicContact CB-CG2 4.02Å; D542-M593 WeakPolarHBondContact O-CE 3.42Å; D542-M593 VanDerWaalsContact OD2-CB 3.3Å; D542-M593 WeakPolarHBondContact OD2-CB 3.39Å; D542-M593 WeakPolarHBondContact OD2-CE 3.45Å; D542-M593 PolarHBondContact OD2-N 3.28Å
543I96.9Very high89.5Confident1 Ų150.3 Ų50.31%0.00528%0.281CS..  trans-137.434.3177.357.4162.2000111.4S502 N504 Q507 V509 S553 C556 L571S502-I543 PolarHBondContact OG-N 2.87Å; N504-I543 PolarHBondContact ND2-O 3.09Å; Q507-I543 HydrophobicContact CB-CD1 3.81Å; Q507-I543 WeakPolarHBondContact O-CD1 3.32Å; V509-I543 HydrophobicContact CB-CG2 4.21Å; V509-I543 HydrophobicContact CG2-CD1 4.33Å; V509-I543 HydrophobicContact CG2-CG2 3.75Å; I543-S553 WeakPolarHBondContact O-CB 3.26Å; I543-C556 HydrophobicContact CG2-CB 3.85Å; I543-L571 HydrophobicContact CG2-CD1 3.92Å
544T94.8Very high89.5Confident39 Ų3946 Ų4624%0.23927%0.265CS..  trans-58.2127.6174.6-64.30000109.6D542 S553 M593D542-T544 PolarHBondContact OD1-N 3.24Å; D542-T544 PolarHBondContact OD1-OG1 2.92Å; D542-T544 WeakPolarHBondContact OD2-CB 3.45Å; D542-T544 PolarHBondContact OD2-N 3.41Å; D542-T544 PolarHBondContact OD2-OG1 2.65Å; T544-S553 PolarHBondContact O-OG 3.15Å; T544-S553 VanDerWaalsContact O-OG 3.09Å; T544-M593 WeakPolarHBondContact CB-O 3.21Å; T544-M593 WeakPolarHBondContact CG2-O 3.45Å
545P92.6Very high89.5Confident48 Ų4845.2 Ų45.231%0.31226%0.262SS..  trans-69.3135.9176.427.6-32.9000110.2
546L89.2Confident89.8Confident7 Ų739.9 Ų39.94%0.03724%0.237CC..  trans-117.5145.1178.3-56173.5000109.8S549 M593 H600 L616 I618L546-S549 PolarHBondContact O-OG 3.01Å; L546-M593 HydrophobicContact CD1-CB 4.09Å; L546-M593 HydrophobicContact CD1-SD 4.29Å; L546-M593 HydrophobicContact CD2-CB 4.1Å; L546-M593 HydrophobicContact CG-CB 4.34Å; L546-H600 HydrophobicContact CD1-CB 4.38Å; L546-L616 HydrophobicContact CD1-CD2 3.54Å; L546-L616 HydrophobicContact CD1-CG 4.48Å; L546-I618 HydrophobicContact CB-CD1 3.46Å; L546-I618 VanDerWaalsContact CB-CD1 3.46Å; L546-I618 HydrophobicContact CB-CG1 4.01Å; L546-I618 HydrophobicContact CD1-CD1 4.39Å; L546-I618 HydrophobicContact CD1-CG1 4.07Å
547G79.5Confident90Very high46 Ų4637.7 Ų37.747%0.47423%0.227SC..THydrogen-bonded Turntrans65.8-160179.800000114.4S549G547-S549 PolarHBondContact O-N 2.86Å
548D70.3Confident90.1Very high169 Ų16933.9 Ų33.990%0.90421%0.209SC*.THydrogen-bonded Turntrans-77.126-177.3-63.7-29.3000114.1N550D548-N550 PolarHBondContact O-N 3.26Å
549S65Low90.1Very high38 Ų3833.8 Ų33.827%0.26621%0.208SC..  trans-70.5127.2174.355.90000108.6L546 G547 G551 L552L546-S549 PolarHBondContact O-OG 3.01Å; G547-S549 PolarHBondContact O-N 2.86Å; S549-G551 PolarHBondContact O-N 3.43Å; S549-L552 WeakPolarHBondContact CB-O 3.27Å; S549-L552 PolarHBondContact OG-O 3.22Å; S549-L552 VanDerWaalsContact OG-O 3.13Å
550N73.8Confident90.1Very high161 Ų16133.1 Ų33.186%0.86120%0.203SC*.SBendtrans-61.257.2-178.9-79.1-20.2000113.4D548 L552D548-N550 PolarHBondContact O-N 3.26Å; N550-L552 PolarHBondContact O-N 2.89Å
551G80.2Confident89.7Confident21 Ų2137.9 Ų37.922%0.21622%0.22CC..SBendtrans74-1.7-174.600000115.8S506 S549S506-G551 PolarHBondContact OG-O 2.83Å; S549-G551 PolarHBondContact O-N 3.43Å
552L89.8Confident89.2Confident78 Ų7841.9 Ų41.941%0.40825%0.245SC..  trans-99.6120.8-178.1-71.8168.9000110.7S506 Q507 S549 N550 P554S506-L552 VanDerWaalsContact OG-CD2 3.23Å; S506-L552 WeakPolarHBondContact OG-CD2 3.15Å; Q507-L552 HydrophobicContact CG-CD2 3.63Å; S549-L552 WeakPolarHBondContact CB-O 3.27Å; S549-L552 PolarHBondContact OG-O 3.22Å; S549-L552 VanDerWaalsContact OG-O 3.13Å; N550-L552 PolarHBondContact O-N 2.89Å; L552-P554 WeakPolarHBondContact O-CD 3.45Å
553S94.1Very high88.9Confident3 Ų342.6 Ų42.62%0.02125%0.249CC..  trans-78.2124.4169-163.80000110.8Q507 I543 T544 L555Q507-S553 PolarHBondContact NE2-O 3.35Å; Q507-S553 PolarHBondContact OE1-O 3.48Å; I543-S553 WeakPolarHBondContact O-CB 3.26Å; T544-S553 PolarHBondContact O-OG 3.15Å; T544-S553 VanDerWaalsContact O-OG 3.09Å; S553-L555 PolarHBondContact OG-N 3.03Å; S553-L555 PolarHBondContact OG-O 3.04Å
554P93.7Very high88.6Confident51 Ų5143.3 Ų43.333%0.33125%0.253SS..SBendtrans-76.5-1217130.1-30.9000112.1L552 L571 I618L552-P554 WeakPolarHBondContact O-CD 3.45Å; P554-L571 PolarHBondContact O-N 3.12Å; P554-I618 HydrophobicContact CG-CG2 4.14Å
555L96.1Very high88.6Confident4 Ų441.5 Ų41.52%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-119.8151.2-173.7-59.3-178.4000111.2S553 I568 L569 L577 M593 L616S553-L555 PolarHBondContact OG-N 3.03Å; S553-L555 PolarHBondContact OG-O 3.04Å; L555-I568 HydrophobicContact CB-CG2 4.35Å; L555-I568 HydrophobicContact CD1-CG2 4.15Å; L555-I568 HydrophobicContact CD2-CG2 3.89Å; L555-I568 HydrophobicContact CG-CG2 4.36Å; L555-L569 CarbonylContact C-O 3.47Å; L555-L569 WeakPolarHBondContact CA-O 3.43Å; L555-L577 HydrophobicContact CD2-CD1 3.49Å; L555-L577 VanDerWaalsContact CD2-CD1 3.49Å; L555-M593 HydrophobicContact CB-SD 4.2Å; L555-L616 HydrophobicContact CD1-CD1 4.19Å; L555-L616 HydrophobicContact CD1-CD2 4.33Å
556C97.3Very high88.8Confident0 Ų039.2 Ų39.20%023%0.227CC..EExtended strand (participates in β ladder)trans-129.6118.5167.7177.80000108.2D542 I543 L569 L571D542-C556 WeakPolarHBondContact O-CA 3.33Å; I543-C556 HydrophobicContact CG2-CB 3.85Å; C556-L569 HydrophobicContact CB-CB 4.34Å; C556-L569 PolarHBondContact N-O 3.2Å; C556-L569 PolarHBondContact O-N 2.87Å; C556-L571 HydrophobicContact CB-CD1 4.04Å; C556-L571 HydrophobicContact CB-CD2 4.07Å; C556-L571 HydrophobicContact CB-CG 3.89Å
557A98Very high89.1Confident0 Ų039 Ų390%023%0.226CC..EExtended strand (participates in β ladder)trans-92.5133.2175.100000109.6L541 D542 R567 I568 I591 M593 L602L541-A557 CarbonylContact C-O 3.58Å; L541-A557 VanDerWaalsContact CA-O 3.26Å; L541-A557 WeakPolarHBondContact CA-O 3.24Å; D542-A557 PolarHBondContact N-O 2.91Å; D542-A557 PolarHBondContact O-N 2.85Å; A557-R567 CarbonylContact C-O 3.56Å; A557-R567 WeakPolarHBondContact CA-O 3.47Å; A557-I568 HydrophobicContact CB-CD1 3.72Å; A557-I591 HydrophobicContact CB-CD1 3.8Å; A557-I591 HydrophobicContact CB-CG1 4.14Å; A557-M593 HydrophobicContact CB-CE 4.34Å; A557-M593 HydrophobicContact CB-CG 4.01Å; A557-M593 HydrophobicContact CB-SD 3.98Å; A557-L602 HydrophobicContact CB-CD1 3.54Å
558I97.5Very high90Very high0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-133.6146.3178.963171.2000111.5L516 M534 V538 C540 L541 L560 A566 R567 L569L516-I558 HydrophobicContact CD1-CD1 4.28Å; L516-I558 HydrophobicContact CD1-CG2 4.48Å; M534-I558 HydrophobicContact CE-CD1 3.43Å; M534-I558 VanDerWaalsContact CE-CD1 3.43Å; M534-I558 HydrophobicContact CG-CD1 4.28Å; M534-I558 HydrophobicContact SD-CD1 3.92Å; V538-I558 HydrophobicContact CG1-CB 4.48Å; C540-I558 CarbonylContact O-C 3.11Å; C540-I558 WeakPolarHBondContact O-CA 3.09Å; L541-I558 HydrophobicContact CB-CG2 3.98Å; I558-L560 HydrophobicContact CD1-CD2 4.15Å; I558-A566 CarbonylContact O-C 3.46Å; I558-A566 WeakPolarHBondContact O-CA 3.3Å; I558-R567 HydrophobicContact CD1-CB 4.24Å; I558-R567 HydrophobicContact CG1-CB 3.77Å; I558-R567 PolarHBondContact N-O 2.75Å; I558-R567 PolarHBondContact O-N 2.77Å; I558-L569 HydrophobicContact CD1-CD1 3.73Å; I558-L569 HydrophobicContact CD1-CG 4.2Å; I558-L569 HydrophobicContact CG1-CD1 4.38Å; I558-L569 HydrophobicContact CG1-CG 4.47Å
559G96.5Very high91.3Very high0 Ų028.9 Ų28.90%016%0.16CC..EExtended strand (participates in β ladder)trans-107.8142.2165.700000110.7A539 C540 S565A539-G559 PolarHBondContact N-O 2.56Å; C540-G559 PolarHBondContact O-N 3.47Å; G559-S565 CarbonylContact C-O 3.49Å; G559-S565 VanDerWaalsContact CA-O 3.29Å; G559-S565 WeakPolarHBondContact CA-O 3.21Å
560L95.4Very high92.7Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-116.7147.2179.8-62.7-174.8000112.5M534 H536 E537 V538 I558 D563 I564 S565 R567M534-L560 HydrophobicContact CB-CD2 4.42Å; M534-L560 HydrophobicContact CE-CD1 4.23Å; H536-L560 HydrophobicContact CB-CB 4.33Å; H536-L560 HydrophobicContact CB-CD1 4.3Å; E537-L560 WeakPolarHBondContact O-CA 3.13Å; V538-L560 HydrophobicContact CB-CD2 4.41Å; V538-L560 HydrophobicContact CG2-CD2 3.91Å; I558-L560 HydrophobicContact CD1-CD2 4.15Å; L560-D563 VanDerWaalsContact CB-OD1 3.27Å; L560-D563 WeakPolarHBondContact CB-OD1 3.14Å; L560-I564 WeakPolarHBondContact O-CA 3.36Å; L560-I564 PolarHBondContact O-N 3.18Å; L560-S565 PolarHBondContact N-O 3.44Å; L560-R567 VanDerWaalsContact CD1-CZ 3.45Å; L560-R567 VanDerWaalsContact CD1-NE 3.32Å
561W87.6Confident93.7Very high105 Ų10524.7 Ų24.740%0.39813%0.13SC..THydrogen-bonded Turntrans-69.1-57-176.7-8162.8000113.8E537 A539 I564 I587E537-W561 HydrophobicContact CB-CB 4.44Å; E537-W561 HydrophobicContact CB-CG 4.37Å; E537-W561 PolarHBondContact O-N 3.24Å; A539-W561 HydrophobicContact CB-CG 4.28Å; W561-I564 WeakPolarHBondContact O-CG1 3.1Å; W561-I587 HydrophobicContact CB-CG2 4.32Å; W561-I587 HydrophobicContact CD2-CD1 3.62Å; W561-I587 HydrophobicContact CD2-CG2 4.49Å; W561-I587 HydrophobicContact CE3-CD1 3.79Å; W561-I587 HydrophobicContact CE3-CG2 4.46Å; W561-I587 HydrophobicContact CG-CD1 4.24Å; W561-I587 HydrophobicContact CG-CG2 4.45Å; W561-I587 HydrophobicContact CH2-CD1 3.99Å; W561-I587 HydrophobicContact CZ2-CD1 3.82Å; W561-I587 HydrophobicContact CZ3-CD1 3.97Å; W561-I587 WeakPolarHBondContact O-CG2 3.39Å
562T87.7Confident94.4Very high98 Ų9826.7 Ų26.760%0.60114%0.139SC*.THydrogen-bonded Turntrans-79.2-39.2-163.9-51.30000113.6
563D90Very high94.6Very high25 Ų2526.2 Ų26.213%0.13414%0.143CC..THydrogen-bonded Turntrans-93.1-3.8176.674.1-16.7000112.7H536 L560 S565 R567 K579 M581H536-D563 IonicContact CD2-OD1 2.77Å; L560-D563 VanDerWaalsContact CB-OD1 3.27Å; L560-D563 WeakPolarHBondContact CB-OD1 3.14Å; D563-S565 VanDerWaalsContact C-N 3.28Å; D563-S565 PolarHBondContact O-N 2.96Å; D563-S565 WeakPolarHBondContact OD1-CB 3.45Å; D563-S565 PolarHBondContact OD1-OG 3.35Å; D563-S565 PolarHBondContact OD2-OG 3.01Å; D563-R567 IonicContact OD2-CZ 3.77Å; D563-R567 IonicContact OD2-NE 3.45Å; D563-R567 IonicContact OD2-NH2 3.68Å; D563-R567 PolarHBondContact OD2-NH2 2.83Å; D563-K579 WeakPolarHBondContact OD2-CE 3.39Å; D563-K579 IonicContact OD2-NZ 2.91Å; D563-K579 PolarHBondContact OD2-NZ 2.89Å; D563-M581 HydrophobicContact CB-CE 4.48Å; D563-M581 HydrophobicContact CB-SD 4.41Å
564I91.9Very high94.7Very high17 Ų1726.6 Ų26.69%0.08714%0.144CC..THydrogen-bonded Turntrans50.953.3176.6-51.4171.5000109.7L560 W561 L582 G584 I586 I587L560-I564 WeakPolarHBondContact O-CA 3.36Å; L560-I564 PolarHBondContact O-N 3.18Å; W561-I564 WeakPolarHBondContact O-CG1 3.1Å; I564-L582 HydrophobicContact CG2-CB 4.27Å; I564-L582 WeakPolarHBondContact O-CB 3.41Å; I564-L582 PolarHBondContact O-N 3.47Å; I564-G584 WeakPolarHBondContact CD1-O 3.36Å; I564-I586 WeakPolarHBondContact CG2-O 3.33Å; I564-I587 HydrophobicContact CG1-CG2 4.47Å
565S94.6Very high94.8Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-116.9148.3-177.267.90000112.1G559 L560 D563 R567 E580G559-S565 CarbonylContact C-O 3.49Å; G559-S565 VanDerWaalsContact CA-O 3.29Å; G559-S565 WeakPolarHBondContact CA-O 3.21Å; L560-S565 PolarHBondContact N-O 3.44Å; D563-S565 VanDerWaalsContact C-N 3.28Å; D563-S565 PolarHBondContact O-N 2.96Å; D563-S565 WeakPolarHBondContact OD1-CB 3.45Å; D563-S565 PolarHBondContact OD1-OG 3.35Å; D563-S565 PolarHBondContact OD2-OG 3.01Å; S565-R567 PolarHBondContact OG-NE 3.32Å; S565-E580 CarbonylContact C-O 3.56Å; S565-E580 VanDerWaalsContact CA-O 3.23Å; S565-E580 WeakPolarHBondContact CA-O 3.28Å; S565-E580 WeakPolarHBondContact CB-O 3.17Å
566A96Very high94.8Very high0 Ų033.1 Ų33.10%017%0.172CC..EExtended strand (participates in β ladder)trans-101.8131.1163.400000108.6I558 E580 L582 I591 L602I558-A566 CarbonylContact O-C 3.46Å; I558-A566 WeakPolarHBondContact O-CA 3.3Å; A566-E580 PolarHBondContact N-O 3.02Å; A566-E580 PolarHBondContact O-N 3.24Å; A566-L582 HydrophobicContact CB-CD1 4.31Å; A566-L582 HydrophobicContact CB-CD2 4.08Å; A566-L582 HydrophobicContact CB-CG 4.34Å; A566-I591 HydrophobicContact CB-CD1 4.33Å; A566-L602 HydrophobicContact CB-CD2 4.37Å
567R96.4Very high94.8Very high4 Ų435.5 Ų35.52%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-128.3142.8-178.2-53.4-170.7-174.5-166.26.3110.9E535 A557 I558 L560 D563 S565 L576 H578 K579E535-R567 IonicContact OE1-NH1 2.69Å; E535-R567 IonicContact OE2-CZ 2.85Å; E535-R567 IonicContact OE2-NH1 3.7Å; E535-R567 PolarHBondContact OE2-NH1 3.23Å; E535-R567 IonicContact OE2-NH2 3.69Å; E535-R567 PolarHBondContact OE2-NH2 3.48Å; A557-R567 CarbonylContact C-O 3.56Å; A557-R567 WeakPolarHBondContact CA-O 3.47Å; I558-R567 HydrophobicContact CD1-CB 4.24Å; I558-R567 HydrophobicContact CG1-CB 3.77Å; I558-R567 PolarHBondContact N-O 2.75Å; I558-R567 PolarHBondContact O-N 2.77Å; L560-R567 VanDerWaalsContact CD1-CZ 3.45Å; L560-R567 VanDerWaalsContact CD1-NE 3.32Å; D563-R567 IonicContact OD2-CZ 3.77Å; D563-R567 IonicContact OD2-NE 3.45Å; D563-R567 IonicContact OD2-NH2 3.68Å; D563-R567 PolarHBondContact OD2-NH2 2.83Å; S565-R567 PolarHBondContact OG-NE 3.32Å; R567-L576 HydrophobicContact CB-CD1 3.79Å; R567-L576 HydrophobicContact CG-CD1 4.21Å; R567-H578 VanDerWaalsContact CA-O 3.31Å; R567-H578 WeakPolarHBondContact CA-O 3.1Å; R567-K579 HydrophobicContact CG-CB 4.38Å; R567-K579 HydrophobicContact CG-CG 4.19Å
568I97.9Very high94.7Very high0 Ų037.2 Ų37.20%019%0.193CC..EExtended strand (participates in β ladder)trans-106.6121.4172.2-58.3-57.6000108.2L555 A557 L577 H578 L602 L616 L623L555-I568 HydrophobicContact CB-CG2 4.35Å; L555-I568 HydrophobicContact CD1-CG2 4.15Å; L555-I568 HydrophobicContact CD2-CG2 3.89Å; L555-I568 HydrophobicContact CG-CG2 4.36Å; A557-I568 HydrophobicContact CB-CD1 3.72Å; I568-L577 HydrophobicContact CG2-CB 4.35Å; I568-L577 HydrophobicContact CG2-CD1 4.3Å; I568-L577 PolarHBondContact O-N 3.33Å; I568-H578 HydrophobicContact CB-CB 4.36Å; I568-H578 PolarHBondContact N-O 3.1Å; I568-H578 PolarHBondContact O-N 2.81Å; I568-L602 HydrophobicContact CD1-CD1 4.18Å; I568-L602 HydrophobicContact CD1-CD2 3.98Å; I568-L616 HydrophobicContact CD1-CD1 4.35Å; I568-L616 HydrophobicContact CG1-CD1 4.29Å; I568-L623 HydrophobicContact CD1-CD2 4.38Å; I568-L623 HydrophobicContact CG1-CD1 4.4Å; I568-L623 HydrophobicContact CG1-CD2 4.05Å; I568-L623 HydrophobicContact CG1-CG 4.23Å
569L97.4Very high94.6Very high2 Ų241 Ų411%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-111148.7177.7-53.3-176.5000110.1L516 M534 L555 C556 I558 F574 E575 L576L516-L569 HydrophobicContact CD1-CD1 3.82Å; M534-L569 HydrophobicContact SD-CD1 4.16Å; L555-L569 CarbonylContact C-O 3.47Å; L555-L569 WeakPolarHBondContact CA-O 3.43Å; C556-L569 HydrophobicContact CB-CB 4.34Å; C556-L569 PolarHBondContact N-O 3.2Å; C556-L569 PolarHBondContact O-N 2.87Å; I558-L569 HydrophobicContact CD1-CD1 3.73Å; I558-L569 HydrophobicContact CD1-CG 4.2Å; I558-L569 HydrophobicContact CG1-CD1 4.38Å; I558-L569 HydrophobicContact CG1-CG 4.47Å; L569-F574 HydrophobicContact CD1-CB 4.35Å; L569-F574 HydrophobicContact CD1-CD1 3.86Å; L569-E575 CarbonylContact C-O 3.43Å; L569-E575 VanDerWaalsContact CA-O 3.29Å; L569-E575 WeakPolarHBondContact CA-O 3.49Å; L569-L576 HydrophobicContact CD2-CB 4.04Å; L569-L576 HydrophobicContact CD2-CD1 3.67Å; L569-L576 HydrophobicContact CD2-CG 4.49Å
570K95.9Very high94.6Very high97 Ų9742.8 Ų42.842%0.42222%0.217SC..EExtended strand (participates in β ladder)trans-84.5131.4172.3-172.2173.9-179.8174.50110.9S573 F574 E575 L577K570-S573 PolarHBondContact O-N 3.13Å; K570-F574 VanDerWaalsContact O-CA 3.24Å; K570-F574 WeakPolarHBondContact O-CA 3.35Å; K570-F574 PolarHBondContact O-N 2.84Å; K570-E575 HydrophobicContact CB-CB 4.16Å; K570-E575 PolarHBondContact N-O 2.77Å; K570-L577 HydrophobicContact CB-CD1 4.05Å; K570-L577 HydrophobicContact CB-CD2 4.24Å; K570-L577 HydrophobicContact CB-CG 4.12Å
571L94.8Very high94.5Very high13 Ų1347 Ų477%0.06824%0.238CC..THydrogen-bonded Turntrans-93.2142.4168.1-68.9177.5000110.5V509 Y518 I543 P554 C556 F574V509-L571 HydrophobicContact CG2-CD1 4.35Å; V509-L571 HydrophobicContact CG2-CD2 4.22Å; Y518-L571 HydrophobicContact CD2-CD1 4.23Å; Y518-L571 HydrophobicContact CD2-CD2 3.81Å; Y518-L571 HydrophobicContact CE2-CD1 4.01Å; Y518-L571 HydrophobicContact CE2-CD2 4.23Å; Y518-L571 HydrophobicContact CG-CD2 4.09Å; I543-L571 HydrophobicContact CG2-CD1 3.92Å; P554-L571 PolarHBondContact O-N 3.12Å; C556-L571 HydrophobicContact CB-CD1 4.04Å; C556-L571 HydrophobicContact CB-CD2 4.07Å; C556-L571 HydrophobicContact CB-CG 3.89Å; L571-F574 HydrophobicContact CD2-CD1 4.05Å; L571-F574 HydrophobicContact CD2-CE1 3.74Å; L571-F574 HydrophobicContact CD2-CZ 4.28Å
572P93.7Very high94.7Very high63 Ų6342 Ų4241%0.40922%0.219SC..THydrogen-bonded Turncis-90.6-0.94.137.4-37.7000114.6Y518 I529 S530 F574Y518-P572 HydrophobicContact CD1-CB 3.62Å; Y518-P572 HydrophobicContact CE1-CB 3.38Å; I529-P572 HydrophobicContact CG2-CB 4.04Å; S530-P572 VanDerWaalsContact CB-O 3.27Å; S530-P572 WeakPolarHBondContact CB-O 3.49Å; S530-P572 PolarHBondContact OG-O 3.18Å; P572-F574 PolarHBondContact O-N 3.42Å
573S94.6Very high94.5Very high68 Ų6839 Ų3948%0.47621%0.208SC..THydrogen-bonded Turntrans-78-16.5-168.555.50000115.5K570 E575K570-S573 PolarHBondContact O-N 3.13Å; S573-E575 PolarHBondContact O-N 3.28Å; S573-E575 PolarHBondContact OG-N 3.2Å
574F96.5Very high94.1Very high12 Ų1241 Ų415%0.05323%0.234CC..THydrogen-bonded Turntrans57.126.1-165.9-62.7-67.5000114.6V509 L516 Y518 S530 T532 L569 K570 L571 P572 L576V509-F574 HydrophobicContact CG1-CE1 4.2Å; V509-F574 HydrophobicContact CG1-CZ 4.32Å; V509-F574 HydrophobicContact CG2-CE1 4.5Å; L516-F574 HydrophobicContact CB-CE1 4.09Å; L516-F574 HydrophobicContact CB-CE2 4.29Å; L516-F574 HydrophobicContact CB-CZ 3.89Å; L516-F574 HydrophobicContact CD1-CD1 4.25Å; L516-F574 HydrophobicContact CD1-CE1 4.19Å; Y518-F574 VanDerWaalsContact CB-CZ 3.45Å; S530-F574 WeakPolarHBondContact OG-CE2 3.49Å; T532-F574 HydrophobicContact CG2-CB 3.49Å; T532-F574 VanDerWaalsContact CG2-CB 3.49Å; T532-F574 HydrophobicContact CG2-CD1 4.33Å; T532-F574 HydrophobicContact CG2-CD2 3.68Å; T532-F574 HydrophobicContact CG2-CE2 4.41Å; T532-F574 HydrophobicContact CG2-CG 3.61Å; L569-F574 HydrophobicContact CD1-CB 4.35Å; L569-F574 HydrophobicContact CD1-CD1 3.86Å; K570-F574 VanDerWaalsContact O-CA 3.24Å; K570-F574 WeakPolarHBondContact O-CA 3.35Å; K570-F574 PolarHBondContact O-N 2.84Å; L571-F574 HydrophobicContact CD2-CD1 4.05Å; L571-F574 HydrophobicContact CD2-CE1 3.74Å; L571-F574 HydrophobicContact CD2-CZ 4.28Å; P572-F574 PolarHBondContact O-N 3.42Å; F574-L576 PolarHBondContact O-N 2.69Å
575E96Very high93.8Very high110 Ų11049 Ų4951%0.51427%0.271SS..EExtended strand (participates in β ladder)trans-63.9128.4173.3-178.1-176.8-179.300110.1L569 K570 S573 L577L569-E575 CarbonylContact C-O 3.43Å; L569-E575 VanDerWaalsContact CA-O 3.29Å; L569-E575 WeakPolarHBondContact CA-O 3.49Å; K570-E575 HydrophobicContact CB-CB 4.16Å; K570-E575 PolarHBondContact N-O 2.77Å; S573-E575 PolarHBondContact O-N 3.28Å; S573-E575 PolarHBondContact OG-N 3.2Å; E575-L577 PolarHBondContact O-N 2.87Å
576L96.4Very high93.6Very high82 Ų8252.2 Ų52.243%0.42929%0.288SS..EExtended strand (participates in β ladder)trans-72.2115.4178.4178.165.7000110.5R567 L569 F574 H578 K579R567-L576 HydrophobicContact CB-CD1 3.79Å; R567-L576 HydrophobicContact CG-CD1 4.21Å; L569-L576 HydrophobicContact CD2-CB 4.04Å; L569-L576 HydrophobicContact CD2-CD1 3.67Å; L569-L576 HydrophobicContact CD2-CG 4.49Å; F574-L576 PolarHBondContact O-N 2.69Å; L576-H578 WeakPolarHBondContact CD1-O 3.15Å; L576-K579 HydrophobicContact CD1-CB 4.41Å; L576-K579 HydrophobicContact CD2-CB 4.3Å
577L96.3Very high93.5Very high50 Ų5053.6 Ų53.626%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-91.5-44.6177.5-61.2-179000111.9L555 I568 K570 E575L555-L577 HydrophobicContact CD2-CD1 3.49Å; L555-L577 VanDerWaalsContact CD2-CD1 3.49Å; I568-L577 HydrophobicContact CG2-CB 4.35Å; I568-L577 HydrophobicContact CG2-CD1 4.3Å; I568-L577 PolarHBondContact O-N 3.33Å; K570-L577 HydrophobicContact CB-CD1 4.05Å; K570-L577 HydrophobicContact CB-CD2 4.24Å; K570-L577 HydrophobicContact CB-CG 4.12Å; E575-L577 PolarHBondContact O-N 2.87Å
578H96.7Very high93.4Very high36 Ų3653.4 Ų53.417%0.16729%0.294CS..EExtended strand (participates in β ladder)trans-144.8141.7179.5-16777.1000111.3R567 I568 L576 E580 G621R567-H578 VanDerWaalsContact CA-O 3.31Å; R567-H578 WeakPolarHBondContact CA-O 3.1Å; I568-H578 HydrophobicContact CB-CB 4.36Å; I568-H578 PolarHBondContact N-O 3.1Å; I568-H578 PolarHBondContact O-N 2.81Å; L576-H578 WeakPolarHBondContact CD1-O 3.15Å; H578-E580 IonicContact NE2-OE2 2.72Å; H578-E580 PolarHBondContact NE2-OE2 2.91Å; H578-G621 VanDerWaalsContact CB-O 3.24Å; H578-G621 WeakPolarHBondContact CB-O 3.36Å
579K95.3Very high93.3Very high78 Ų7859.7 Ų59.734%0.33932%0.317SS..EExtended strand (participates in β ladder)trans-125.4116.4173.8175.2176.4-178.6171.10108.7E535 D563 R567 L576E535-K579 IonicContact OE2-NZ 3.47Å; D563-K579 WeakPolarHBondContact OD2-CE 3.39Å; D563-K579 IonicContact OD2-NZ 2.91Å; D563-K579 PolarHBondContact OD2-NZ 2.89Å; R567-K579 HydrophobicContact CG-CB 4.38Å; R567-K579 HydrophobicContact CG-CG 4.19Å; L576-K579 HydrophobicContact CD1-CB 4.41Å; L576-K579 HydrophobicContact CD2-CB 4.3Å
580E95.2Very high93.2Very high39 Ų3960 Ų6018%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-112.2128.4178.6-173.760.4-151.400110.5S565 A566 H578 F614 L623 R626S565-E580 CarbonylContact C-O 3.56Å; S565-E580 VanDerWaalsContact CA-O 3.23Å; S565-E580 WeakPolarHBondContact CA-O 3.28Å; S565-E580 WeakPolarHBondContact CB-O 3.17Å; A566-E580 PolarHBondContact N-O 3.02Å; A566-E580 PolarHBondContact O-N 3.24Å; H578-E580 IonicContact NE2-OE2 2.72Å; H578-E580 PolarHBondContact NE2-OE2 2.91Å; E580-F614 HydrophobicContact CG-CD1 4.39Å; E580-F614 HydrophobicContact CG-CE1 3.53Å; E580-F614 HydrophobicContact CG-CZ 3.76Å; E580-L623 HydrophobicContact CB-CD1 3.93Å; E580-L623 HydrophobicContact CG-CD1 4.47Å; E580-R626 IonicContact OE1-NH1 3.91Å; E580-R626 PolarHBondContact OE1-NH1 2.96Å
581M94.2Very high93.3Very high87 Ų8755.9 Ų55.943%0.42930%0.303SS..EExtended strand (participates in β ladder)trans-91.7110.8-179.8-158.363.574.700110D563 G583 R626D563-M581 HydrophobicContact CB-CE 4.48Å; D563-M581 HydrophobicContact CB-SD 4.41Å; M581-G583 VanDerWaalsContact C-N 3.34Å; M581-R626 PolarHBondContact O-NH1 2.84Å
582L91.2Very high93.4Very high2 Ų255.8 Ų55.81%0.0130%0.302CS..  trans-73.4-31.6-177-53.8173.4000111I564 A566 P588 C604 L606 F612 F614 R626I564-L582 HydrophobicContact CG2-CB 4.27Å; I564-L582 WeakPolarHBondContact O-CB 3.41Å; I564-L582 PolarHBondContact O-N 3.47Å; A566-L582 HydrophobicContact CB-CD1 4.31Å; A566-L582 HydrophobicContact CB-CD2 4.08Å; A566-L582 HydrophobicContact CB-CG 4.34Å; L582-P588 HydrophobicContact CD1-CB 4.15Å; L582-P588 HydrophobicContact CD1-CG 4.42Å; L582-C604 VanDerWaalsContact CD1-SG 3.58Å; L582-L606 HydrophobicContact CD1-CD2 3.91Å; L582-F612 HydrophobicContact CB-CD2 4.36Å; L582-F612 HydrophobicContact CB-CE2 4.23Å; L582-F612 HydrophobicContact CD2-CB 4.13Å; L582-F612 HydrophobicContact CD2-CD2 4.15Å; L582-F612 HydrophobicContact CD2-CG 4.04Å; L582-F614 HydrophobicContact CD2-CE2 4.16Å; L582-F614 HydrophobicContact CD2-CZ 3.78Å; L582-R626 PolarHBondContact O-NH2 2.86Å
583G83Confident93.6Very high35 Ų3552.8 Ų52.836%0.36128%0.282SS..  trans72.3170178.800000113.4M581M581-G583 VanDerWaalsContact C-N 3.34Å
584G82.4Confident93.6Very high66 Ų6649.8 Ų49.868%0.6826%0.261SS*.SBendtrans89.2-166.7-171.700000112.7I564I564-G584 WeakPolarHBondContact CD1-O 3.36Å
585E85.2Confident93.4Very high184 Ų18451.1 Ų51.186%0.8627%0.27SS*.SBendtrans-112.4-4.6-177.8-61.6-174.717200113
586I90.5Very high93.1Very high69 Ų6946 Ų4635%0.35425%0.247SC..PPolyproline II helixtrans-102.6128.4-173.8-54.8-60.9000110.4I564 L606 D608I564-I586 WeakPolarHBondContact CG2-O 3.33Å; I586-L606 HydrophobicContact CG2-CB 4.14Å; I586-D608 HydrophobicContact CG1-CB 4.19Å; I586-D608 HydrophobicContact CG2-CB 4.19Å
587I93.4Very high92.4Very high28 Ų2846.3 Ų46.314%0.14425%0.246CC..PPolyproline II helixtrans-72.6152.8-177.665.8174000112.8W561 I564 G607W561-I587 HydrophobicContact CB-CG2 4.32Å; W561-I587 HydrophobicContact CD2-CD1 3.62Å; W561-I587 HydrophobicContact CD2-CG2 4.49Å; W561-I587 HydrophobicContact CE3-CD1 3.79Å; W561-I587 HydrophobicContact CE3-CG2 4.46Å; W561-I587 HydrophobicContact CG-CD1 4.24Å; W561-I587 HydrophobicContact CG-CG2 4.45Å; W561-I587 HydrophobicContact CH2-CD1 3.99Å; W561-I587 HydrophobicContact CZ2-CD1 3.82Å; W561-I587 HydrophobicContact CZ3-CD1 3.97Å; W561-I587 WeakPolarHBondContact O-CG2 3.39Å; I564-I587 HydrophobicContact CG1-CG2 4.47Å; I587-G607 PolarHBondContact O-N 3.16Å
588P95.4Very high91.7Very high0 Ų049.2 Ų49.20%027%0.27CS..EExtended strand (participates in β ladder)trans-67.6141.1170.328.7-33.5000111.2A539 L582 L606A539-P588 HydrophobicContact CB-CG 4.1Å; A539-P588 WeakPolarHBondContact CB-O 3.45Å; L582-P588 HydrophobicContact CD1-CB 4.15Å; L582-P588 HydrophobicContact CD1-CG 4.42Å; P588-L606 HydrophobicContact CB-CD2 3.99Å
589R94.5Very high91.4Very high132 Ų13249.7 Ų49.750%0.49828%0.278SS..EExtended strand (participates in β ladder)trans-119.6-31.3-176.5-79-62.9-169.9168.8-1.5114A605 P635R589-A605 PolarHBondContact N-O 2.79Å; R589-P635 HydrophobicContact CG-CB 4.33Å
590S96.2Very high91.3Very high10 Ų1048.1 Ų48.17%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-138.9134.2175.9-171.70000109.1C604 A605 T636 L638S590-C604 CarbonylContact O-C 3.41Å; S590-C604 WeakPolarHBondContact O-CA 3.44Å; S590-A605 PolarHBondContact N-O 2.8Å; S590-A605 PolarHBondContact O-N 2.9Å; S590-T636 VanDerWaalsContact CB-O 3.25Å; S590-T636 WeakPolarHBondContact CB-O 3.28Å; S590-L638 PolarHBondContact OG-N 2.85Å
591I97.3Very high91.3Very high10 Ų1047.9 Ų47.95%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-128.6138.9173.4-164.1165.4000108.1C540 D542 A557 A566 L602 L603 C604C540-I591 HydrophobicContact CB-CB 4.41Å; C540-I591 HydrophobicContact CB-CG2 3.98Å; D542-I591 HydrophobicContact CB-CG2 4.02Å; A557-I591 HydrophobicContact CB-CD1 3.8Å; A557-I591 HydrophobicContact CB-CG1 4.14Å; A566-I591 HydrophobicContact CB-CD1 4.33Å; I591-L602 HydrophobicContact CD1-CD1 4Å; I591-L602 HydrophobicContact CD1-CD2 4.31Å; I591-L602 HydrophobicContact CD1-CG 4.48Å; I591-L602 HydrophobicContact CG1-CD1 3.74Å; I591-L602 HydrophobicContact CG1-CG 4.34Å; I591-L603 CarbonylContact C-O 3.54Å; I591-L603 VanDerWaalsContact CA-O 3.28Å; I591-L603 WeakPolarHBondContact CA-O 3.48Å; I591-C604 HydrophobicContact CG1-CB 4.37Å
592L97.6Very high91.5Very high10 Ų1043.8 Ų43.85%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-148.4124.3-174.6178.866.2000109.9L603 L638 T640 V649L592-L603 PolarHBondContact N-O 2.75Å; L592-L603 PolarHBondContact O-N 2.84Å; L592-L638 HydrophobicContact CB-CB 4.05Å; L592-L638 HydrophobicContact CB-CD1 4.18Å; L592-L638 HydrophobicContact CD2-CB 3.8Å; L592-T640 HydrophobicContact CD1-CG2 4.36Å; L592-T640 HydrophobicContact CD2-CG2 4.03Å; L592-V649 HydrophobicContact CD2-CG1 3.84Å; L592-V649 HydrophobicContact CD2-CG2 3.83Å
593M97.3Very high91.8Very high0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-89.9133.7165.2-63.5-178.8-67.800109.2D542 T544 L546 L555 A557 Y601 L602 L616D542-M593 WeakPolarHBondContact O-CE 3.42Å; D542-M593 VanDerWaalsContact OD2-CB 3.3Å; D542-M593 WeakPolarHBondContact OD2-CB 3.39Å; D542-M593 WeakPolarHBondContact OD2-CE 3.45Å; D542-M593 PolarHBondContact OD2-N 3.28Å; T544-M593 WeakPolarHBondContact CB-O 3.21Å; T544-M593 WeakPolarHBondContact CG2-O 3.45Å; L546-M593 HydrophobicContact CD1-CB 4.09Å; L546-M593 HydrophobicContact CD1-SD 4.29Å; L546-M593 HydrophobicContact CD2-CB 4.1Å; L546-M593 HydrophobicContact CG-CB 4.34Å; L555-M593 HydrophobicContact CB-SD 4.2Å; A557-M593 HydrophobicContact CB-CE 4.34Å; A557-M593 HydrophobicContact CB-CG 4.01Å; A557-M593 HydrophobicContact CB-SD 3.98Å; M593-Y601 WeakPolarHBondContact CA-O 3.32Å; M593-L602 HydrophobicContact CG-CD1 3.68Å; M593-L616 HydrophobicContact CG-CD2 3.99Å; M593-L616 HydrophobicContact SD-CD2 3.92Å
594T95.3Very high92.5Very high5 Ų542 Ų423%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-150.6169.5178.3-166.70000111.5F596 H600 Y601 L603 V649T594-F596 HydrophobicContact CG2-CD2 3.76Å; T594-F596 HydrophobicContact CG2-CE2 3.25Å; T594-F596 HydrophobicContact CG2-CZ 3.85Å; T594-H600 WeakPolarHBondContact O-CA 3.32Å; T594-Y601 PolarHBondContact N-O 2.72Å; T594-Y601 PolarHBondContact O-N 3.28Å; T594-L603 HydrophobicContact CG2-CD1 3.57Å; T594-V649 HydrophobicContact CG2-CG2 3.95Å
595T92.9Very high93.1Very high40 Ų4038.9 Ų38.925%0.24520%0.199CC..EExtended strand (participates in β ladder)trans-123.1129.5176.2-52.40000109.7S599 H600T595-S599 CarbonylContact C-O 3.55Å; T595-S599 WeakPolarHBondContact CA-O 3.47Å; T595-H600 WeakPolarHBondContact CG2-ND1 3.44Å; T595-H600 PolarHBondContact OG1-CE1 3.42Å; T595-H600 PolarHBondContact OG1-ND1 2.84Å
596F89.2Confident93.6Very high4 Ų430.4 Ų30.42%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-122.6127.3171.6-62.5-83.3000109.1T594 S598 S599 Y601 L603 T647 V649 I659 L666T594-F596 HydrophobicContact CG2-CD2 3.76Å; T594-F596 HydrophobicContact CG2-CE2 3.25Å; T594-F596 HydrophobicContact CG2-CZ 3.85Å; F596-S598 VanDerWaalsContact C-N 3.25Å; F596-S598 PolarHBondContact O-N 2.86Å; F596-S598 VanDerWaalsContact O-N 3.12Å; F596-S599 PolarHBondContact N-O 3.23Å; F596-S599 WeakPolarHBondContact O-CA 3.4Å; F596-S599 WeakPolarHBondContact O-CB 3.26Å; F596-S599 PolarHBondContact O-N 2.92Å; F596-Y601 HydrophobicContact CB-CE2 4.35Å; F596-Y601 AromaticContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CE2 4.18Å; F596-Y601 HydrophobicContact CD2-CG 4.37Å; F596-L603 HydrophobicContact CE2-CD1 4.4Å; F596-T647 WeakPolarHBondContact CD1-O 3.45Å; F596-V649 HydrophobicContact CE1-CG2 4.26Å; F596-V649 HydrophobicContact CE2-CG2 4.33Å; F596-V649 HydrophobicContact CZ-CB 4.08Å; F596-V649 HydrophobicContact CZ-CG2 3.56Å; F596-I659 WeakPolarHBondContact CE1-O 3.32Å; F596-I659 HydrophobicContact CZ-CG2 4.12Å; F596-L666 HydrophobicContact CB-CD2 4.08Å; F596-L666 HydrophobicContact CD1-CD2 4.16Å; F596-L666 HydrophobicContact CD2-CD2 3.35Å; F596-L666 HydrophobicContact CE1-CD2 4.37Å; F596-L666 HydrophobicContact CE2-CD1 4.25Å; F596-L666 HydrophobicContact CE2-CD2 3.6Å; F596-L666 HydrophobicContact CG-CD2 3.63Å; F596-L666 HydrophobicContact CZ-CD2 4.11Å
597E81.1Confident93.6Very high87 Ų8728 Ų2841%0.40715%0.152SC..THydrogen-bonded Turntrans42.751.3178.4-64.8177.6141.500112.9S599 S661 H664E597-S599 PolarHBondContact O-N 2.74Å; E597-S599 VanDerWaalsContact O-N 3.1Å; E597-S661 WeakPolarHBondContact OE2-CB 2.95Å; E597-S661 PolarHBondContact OE2-OG 2.8Å; E597-H664 WeakPolarHBondContact OE2-CA 3.45Å; E597-H664 PolarHBondContact OE2-N 2.85Å; E597-H664 IonicContact OE2-ND1 3.48Å
598S82Confident93.4Very high111 Ų11129.6 Ų29.678%0.77616%0.161SC*.THydrogen-bonded Turntrans663.9-178.8-51.20000116.6F596F596-S598 VanDerWaalsContact C-N 3.25Å; F596-S598 PolarHBondContact O-N 2.86Å; F596-S598 VanDerWaalsContact O-N 3.12Å
599S89.5Confident93Very high46 Ų4629.6 Ų29.632%0.32216%0.161SC..EExtended strand (participates in β ladder)trans-103133.8174.7-64.10000111.1T595 F596 E597 Y601T595-S599 CarbonylContact C-O 3.55Å; T595-S599 WeakPolarHBondContact CA-O 3.47Å; F596-S599 PolarHBondContact N-O 3.23Å; F596-S599 WeakPolarHBondContact O-CA 3.4Å; F596-S599 WeakPolarHBondContact O-CB 3.26Å; F596-S599 PolarHBondContact O-N 2.92Å; E597-S599 PolarHBondContact O-N 2.74Å; E597-S599 VanDerWaalsContact O-N 3.1Å; S599-Y601 WeakPolarHBondContact O-CD2 3.31Å
600H94.1Very high92.9Very high45 Ų4523.3 Ų23.321%0.20814%0.137CC..EExtended strand (participates in β ladder)trans-96.6138-176.4-50.2-63.9000111.5L546 T594 T595 L616 I618L546-H600 HydrophobicContact CD1-CB 4.38Å; T594-H600 WeakPolarHBondContact O-CA 3.32Å; T595-H600 WeakPolarHBondContact CG2-ND1 3.44Å; T595-H600 PolarHBondContact OG1-CE1 3.42Å; T595-H600 PolarHBondContact OG1-ND1 2.84Å; H600-L616 HydrophobicContact CB-CB 4.44Å; H600-L616 WeakPolarHBondContact CB-O 3.28Å; H600-L616 PolarHBondContact O-N 3.15Å; H600-I618 HydrophobicContact CB-CG1 4.38Å; H600-I618 WeakPolarHBondContact CD2-CD1 3.49Å; H600-I618 WeakPolarHBondContact NE2-CD1 3.12Å
601Y95.9Very high92.8Very high35 Ų3522.9 Ų22.914%0.13713%0.134CC..EExtended strand (participates in β ladder)trans-131.5147.5-176.6-68.8-92000111.9M593 T594 F596 S599 Y613 F614 L666M593-Y601 WeakPolarHBondContact CA-O 3.32Å; T594-Y601 PolarHBondContact N-O 2.72Å; T594-Y601 PolarHBondContact O-N 3.28Å; F596-Y601 HydrophobicContact CB-CE2 4.35Å; F596-Y601 AromaticContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CE2 4.18Å; F596-Y601 HydrophobicContact CD2-CG 4.37Å; S599-Y601 WeakPolarHBondContact O-CD2 3.31Å; Y601-Y613 HydrophobicContact CD1-CD2 4.49Å; Y601-F614 CarbonylContact C-O 3.6Å; Y601-F614 VanDerWaalsContact CA-O 3.23Å; Y601-F614 WeakPolarHBondContact CA-O 3.34Å; Y601-F614 WeakPolarHBondContact CD1-O 3.48Å; Y601-L666 HydrophobicContact CD1-CD1 4.02Å; Y601-L666 HydrophobicContact CE1-CD1 4.09Å; Y601-L666 HydrophobicContact CE1-CG 4.39Å; Y601-L666 HydrophobicContact CE2-CD2 4.3Å; Y601-L666 HydrophobicContact CG-CD1 4.32Å
602L97.6Very high92.7Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-105.2125.8161.9-176.874.7000108.7A557 A566 I568 I591 M593 Y613 F614 L623A557-L602 HydrophobicContact CB-CD1 3.54Å; A566-L602 HydrophobicContact CB-CD2 4.37Å; I568-L602 HydrophobicContact CD1-CD1 4.18Å; I568-L602 HydrophobicContact CD1-CD2 3.98Å; I591-L602 HydrophobicContact CD1-CD1 4Å; I591-L602 HydrophobicContact CD1-CD2 4.31Å; I591-L602 HydrophobicContact CD1-CG 4.48Å; I591-L602 HydrophobicContact CG1-CD1 3.74Å; I591-L602 HydrophobicContact CG1-CG 4.34Å; M593-L602 HydrophobicContact CG-CD1 3.68Å; L602-Y613 CarbonylContact O-C 3.46Å; L602-Y613 WeakPolarHBondContact O-CA 3.42Å; L602-F614 HydrophobicContact CB-CB 4.44Å; L602-F614 HydrophobicContact CB-CD2 4.31Å; L602-F614 HydrophobicContact CD2-CD2 4.14Å; L602-F614 HydrophobicContact CG-CD2 4.46Å; L602-F614 PolarHBondContact N-O 3.29Å; L602-F614 PolarHBondContact O-N 3.45Å; L602-L623 HydrophobicContact CB-CD2 3.9Å; L602-L623 HydrophobicContact CD2-CD1 3.56Å; L602-L623 HydrophobicContact CD2-CD2 3.84Å; L602-L623 HydrophobicContact CD2-CG 4.37Å
603L97.6Very high92.5Very high1 Ų123.4 Ų23.41%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-113.7131.9175.3-66.886.4000108.7I591 L592 T594 F596 L611 F612 L638 V649 I659I591-L603 CarbonylContact C-O 3.54Å; I591-L603 VanDerWaalsContact CA-O 3.28Å; I591-L603 WeakPolarHBondContact CA-O 3.48Å; L592-L603 PolarHBondContact N-O 2.75Å; L592-L603 PolarHBondContact O-N 2.84Å; T594-L603 HydrophobicContact CG2-CD1 3.57Å; F596-L603 HydrophobicContact CE2-CD1 4.4Å; L603-L611 HydrophobicContact CB-CD1 4.19Å; L603-L611 HydrophobicContact CD2-CD2 4.36Å; L603-F612 CarbonylContact C-O 3.6Å; L603-F612 WeakPolarHBondContact CA-O 3.36Å; L603-L638 HydrophobicContact CB-CD1 3.69Å; L603-V649 HydrophobicContact CD2-CG1 4.42Å; L603-I659 HydrophobicContact CD2-CD1 3.77Å
604C97.4Very high92.5Very high0 Ų023.5 Ų23.50%014%0.135CC..EExtended strand (participates in β ladder)trans-136.6105.5-177.2-170.40000110.4L582 S590 I591 F612L582-C604 VanDerWaalsContact CD1-SG 3.58Å; S590-C604 CarbonylContact O-C 3.41Å; S590-C604 WeakPolarHBondContact O-CA 3.44Å; I591-C604 HydrophobicContact CG1-CB 4.37Å; C604-F612 PolarHBondContact N-O 2.92Å; C604-F612 PolarHBondContact O-N 2.9Å
605A95.7Very high92.5Very high0 Ų023.9 Ų23.90%014%0.141CC..EExtended strand (participates in β ladder)trans-91.7140.2178.200000111.8R589 S590 A610 L611 T636 L638R589-A605 PolarHBondContact N-O 2.79Å; S590-A605 PolarHBondContact N-O 2.8Å; S590-A605 PolarHBondContact O-N 2.9Å; A605-A610 CarbonylContact C-O 3.51Å; A605-A610 WeakPolarHBondContact CA-O 3.32Å; A605-L611 HydrophobicContact CB-CD1 3.99Å; A605-T636 HydrophobicContact CB-CG2 4.42Å; A605-L638 HydrophobicContact CB-CD1 4.24Å; A605-L638 HydrophobicContact CB-CG 4.34Å
606L94.2Very high92.6Very high5 Ų522.5 Ų22.53%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-96.7168.9177.1-60.2-165.5000111.6L582 I586 P588 D608 G609 A610 F612L582-L606 HydrophobicContact CD1-CD2 3.91Å; I586-L606 HydrophobicContact CG2-CB 4.14Å; P588-L606 HydrophobicContact CB-CD2 3.99Å; L606-D608 VanDerWaalsContact CB-OD1 3.25Å; L606-D608 WeakPolarHBondContact CB-OD1 3.21Å; L606-D608 PolarHBondContact O-N 3.22Å; L606-G609 PolarHBondContact O-N 3.14Å; L606-A610 HydrophobicContact CB-CB 4.39Å; L606-A610 HydrophobicContact CD1-CB 4.42Å; L606-A610 PolarHBondContact N-O 2.77Å; L606-F612 HydrophobicContact CD1-CD2 4.31Å; L606-F612 HydrophobicContact CD1-CE2 3.74Å; L606-F612 HydrophobicContact CG-CD2 4.24Å; L606-F612 HydrophobicContact CG-CE2 4.17Å
607G90.6Very high92.8Very high20 Ų2025.8 Ų25.821%0.20615%0.149CC..THydrogen-bonded Turntrans-69.7-7.117800000116.3I587 P635I587-G607 PolarHBondContact O-N 3.16Å; G607-P635 VanDerWaalsContact O-CD 3.31Å; G607-P635 WeakPolarHBondContact O-CD 3.23Å; G607-P635 VanDerWaalsContact O-CG 3.31Å; G607-P635 WeakPolarHBondContact O-CG 3.49Å
608D89.4Confident93.3Very high60 Ų6023.5 Ų23.532%0.32114%0.14SC..THydrogen-bonded Turntrans-103.88.4-179.964.6-12.5000113I586 L606 A610I586-D608 HydrophobicContact CG1-CB 4.19Å; I586-D608 HydrophobicContact CG2-CB 4.19Å; L606-D608 VanDerWaalsContact CB-OD1 3.25Å; L606-D608 WeakPolarHBondContact CB-OD1 3.21Å; L606-D608 PolarHBondContact O-N 3.22Å; D608-A610 VanDerWaalsContact C-N 3.32Å; D608-A610 VanDerWaalsContact OD1-CB 3.23Å; D608-A610 WeakPolarHBondContact OD1-CB 3.32Å; D608-A610 PolarHBondContact OD1-N 3.12Å; D608-A610 VanDerWaalsContact OD1-N 3.08Å
609G87.6Confident93.6Very high0 Ų026.9 Ų26.90%014%0.143CC..SBendtrans83.22.7-176.700000114.4L606 L631 G632 Q634L606-G609 PolarHBondContact O-N 3.14Å; G609-L631 PolarHBondContact O-N 3Å; G609-G632 PolarHBondContact O-N 3.27Å; G609-Q634 WeakPolarHBondContact CA-O 3.49Å; G609-Q634 PolarHBondContact N-O 2.93Å
610A91.3Very high93.8Very high1 Ų127.7 Ų27.71%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-75.7137.617100000111.7A605 L606 D608 V629A605-A610 CarbonylContact C-O 3.51Å; A605-A610 WeakPolarHBondContact CA-O 3.32Å; L606-A610 HydrophobicContact CB-CB 4.39Å; L606-A610 HydrophobicContact CD1-CB 4.42Å; L606-A610 PolarHBondContact N-O 2.77Å; D608-A610 VanDerWaalsContact C-N 3.32Å; D608-A610 VanDerWaalsContact OD1-CB 3.23Å; D608-A610 WeakPolarHBondContact OD1-CB 3.32Å; D608-A610 PolarHBondContact OD1-N 3.12Å; D608-A610 VanDerWaalsContact OD1-N 3.08Å; A610-V629 CarbonylContact C-O 3.51Å
611L94.3Very high93.8Very high0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-116.8123175.4178.267.6000109.9L603 A605 K628 V629 L631 L638 I659 F668L603-L611 HydrophobicContact CB-CD1 4.19Å; L603-L611 HydrophobicContact CD2-CD2 4.36Å; A605-L611 HydrophobicContact CB-CD1 3.99Å; L611-K628 WeakPolarHBondContact O-CA 3.4Å; L611-V629 PolarHBondContact N-O 3.04Å; L611-V629 PolarHBondContact O-N 3.23Å; L611-L631 HydrophobicContact CB-CD1 4.04Å; L611-L631 HydrophobicContact CB-CG 4.18Å; L611-L631 HydrophobicContact CD2-CD1 3.71Å; L611-L631 HydrophobicContact CD2-CG 4.44Å; L611-L631 HydrophobicContact CG-CD1 4.46Å; L611-L638 HydrophobicContact CD1-CD1 3.84Å; L611-L638 HydrophobicContact CD1-CD2 4.25Å; L611-I659 HydrophobicContact CD2-CD1 3.62Å; L611-F668 HydrophobicContact CD2-CE1 3.89Å
612F95.1Very high93.7Very high8 Ų828.1 Ų28.14%0.03515%0.152CC..EExtended strand (participates in β ladder)trans-95.1141.6163.8-71-86.2000110.2L582 L603 C604 L606 F614 R626 K627 K628L582-F612 HydrophobicContact CB-CD2 4.36Å; L582-F612 HydrophobicContact CB-CE2 4.23Å; L582-F612 HydrophobicContact CD2-CB 4.13Å; L582-F612 HydrophobicContact CD2-CD2 4.15Å; L582-F612 HydrophobicContact CD2-CG 4.04Å; L603-F612 CarbonylContact C-O 3.6Å; L603-F612 WeakPolarHBondContact CA-O 3.36Å; C604-F612 PolarHBondContact N-O 2.92Å; C604-F612 PolarHBondContact O-N 2.9Å; L606-F612 HydrophobicContact CD1-CD2 4.31Å; L606-F612 HydrophobicContact CD1-CE2 3.74Å; L606-F612 HydrophobicContact CG-CD2 4.24Å; L606-F612 HydrophobicContact CG-CE2 4.17Å; F612-F614 HydrophobicContact CB-CE2 3.77Å; F612-F614 HydrophobicContact CB-CZ 3.89Å; F612-R626 HydrophobicContact CD1-CG 4.41Å; F612-R626 VanDerWaalsContact CE1-NH2 3.3Å; F612-K627 VanDerWaalsContact CA-O 3.28Å; F612-K627 WeakPolarHBondContact CA-O 3.43Å; F612-K628 HydrophobicContact CD1-CB 3.92Å; F612-K628 HydrophobicContact CD1-CG 4.15Å; F612-K628 HydrophobicContact CE1-CB 3.66Å; F612-K628 HydrophobicContact CE1-CD 3.85Å; F612-K628 HydrophobicContact CE1-CG 3.72Å; F612-K628 HydrophobicContact CE2-CD 4.26Å; F612-K628 HydrophobicContact CE2-CG 4.25Å; F612-K628 HydrophobicContact CZ-CB 4.27Å; F612-K628 HydrophobicContact CZ-CD 3.59Å; F612-K628 HydrophobicContact CZ-CG 3.8Å
613Y95.2Very high93.6Very high23 Ų2329 Ų299%0.0916%0.157CC..EExtended strand (participates in β ladder)trans-140.5152.7170.365.2-81.5000111.9Y601 L602 K627 V629 L666 F668Y601-Y613 HydrophobicContact CD1-CD2 4.49Å; L602-Y613 CarbonylContact O-C 3.46Å; L602-Y613 WeakPolarHBondContact O-CA 3.42Å; Y613-K627 HydrophobicContact CD1-CB 3.92Å; Y613-K627 HydrophobicContact CD2-CB 4.27Å; Y613-K627 HydrophobicContact CE1-CB 3.37Å; Y613-K627 HydrophobicContact CE1-CD 4.33Å; Y613-K627 HydrophobicContact CE1-CG 4.48Å; Y613-K627 HydrophobicContact CE2-CB 3.8Å; Y613-K627 HydrophobicContact CE2-CD 3.62Å; Y613-K627 HydrophobicContact CE2-CG 4.22Å; Y613-K627 HydrophobicContact CG-CB 4.35Å; Y613-K627 VanDerWaalsContact CZ-CD 3.42Å; Y613-K627 PolarHBondContact N-O 2.91Å; Y613-K627 PolarHBondContact O-N 3.04Å; Y613-K627 WeakPolarHBondContact OH-CD 3.46Å; Y613-V629 HydrophobicContact CE1-CG2 3.94Å; Y613-L666 HydrophobicContact CD2-CD1 3.81Å; Y613-L666 HydrophobicContact CE2-CD1 3.99Å; Y613-L666 HydrophobicContact CG-CD1 4.46Å; Y613-F668 HydrophobicContact CD1-CZ 4.23Å; Y613-F668 HydrophobicContact CE1-CE2 4.28Å; Y613-F668 AromaticContact CE1-CZ 3.76Å; Y613-F668 HydrophobicContact CE1-CZ 3.76Å
614F96Very high93.4Very high2 Ų231.7 Ų31.71%0.00918%0.176CC..EExtended strand (participates in β ladder)trans-142.2146.2-170.6-49.5-92.9000109.7E580 L582 Y601 L602 F612 L623 S624 R626E580-F614 HydrophobicContact CG-CD1 4.39Å; E580-F614 HydrophobicContact CG-CE1 3.53Å; E580-F614 HydrophobicContact CG-CZ 3.76Å; L582-F614 HydrophobicContact CD2-CE2 4.16Å; L582-F614 HydrophobicContact CD2-CZ 3.78Å; Y601-F614 CarbonylContact C-O 3.6Å; Y601-F614 VanDerWaalsContact CA-O 3.23Å; Y601-F614 WeakPolarHBondContact CA-O 3.34Å; Y601-F614 WeakPolarHBondContact CD1-O 3.48Å; L602-F614 HydrophobicContact CB-CB 4.44Å; L602-F614 HydrophobicContact CB-CD2 4.31Å; L602-F614 HydrophobicContact CD2-CD2 4.14Å; L602-F614 HydrophobicContact CG-CD2 4.46Å; L602-F614 PolarHBondContact N-O 3.29Å; L602-F614 PolarHBondContact O-N 3.45Å; F612-F614 HydrophobicContact CB-CE2 3.77Å; F612-F614 HydrophobicContact CB-CZ 3.89Å; F614-L623 HydrophobicContact CB-CB 3.96Å; F614-L623 HydrophobicContact CB-CD1 4.45Å; F614-L623 HydrophobicContact CB-CD2 4.08Å; F614-L623 HydrophobicContact CB-CG 4.39Å; F614-L623 HydrophobicContact CD1-CB 4.15Å; F614-L623 HydrophobicContact CD1-CD1 4.38Å; F614-L623 HydrophobicContact CD2-CD1 4.24Å; F614-L623 HydrophobicContact CG-CB 4.17Å; F614-L623 HydrophobicContact CG-CD1 4.11Å; F614-S624 CarbonylContact C-O 3.59Å; F614-S624 VanDerWaalsContact CA-O 3.28Å; F614-S624 WeakPolarHBondContact CA-O 3.43Å; F614-S624 WeakPolarHBondContact CB-O 3.44Å; F614-R626 HydrophobicContact CD1-CB 3.79Å; F614-R626 HydrophobicContact CD1-CG 4.19Å; F614-R626 HydrophobicContact CE1-CB 3.58Å; F614-R626 HydrophobicContact CE1-CG 3.5Å; F614-R626 HydrophobicContact CZ-CG 4.21Å
615G94.8Very high92.9Very high14 Ų1437.2 Ų37.214%0.14421%0.205CC..EExtended strand (participates in β ladder)trans-66.4135.9159.500000109.3L623 S624G615-L623 CarbonylContact O-C 3.56Å; G615-L623 VanDerWaalsContact O-CA 3.29Å; G615-L623 WeakPolarHBondContact O-CA 3.36Å; G615-S624 PolarHBondContact N-O 3.08Å; G615-S624 PolarHBondContact O-N 2.96Å
616L95.6Very high92.6Very high10 Ų1042.7 Ų42.75%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-117120.7-179.2172.761.3000110L546 L555 I568 M593 H600 L623L546-L616 HydrophobicContact CD1-CD2 3.54Å; L546-L616 HydrophobicContact CD1-CG 4.48Å; L555-L616 HydrophobicContact CD1-CD1 4.19Å; L555-L616 HydrophobicContact CD1-CD2 4.33Å; I568-L616 HydrophobicContact CD1-CD1 4.35Å; I568-L616 HydrophobicContact CG1-CD1 4.29Å; M593-L616 HydrophobicContact CG-CD2 3.99Å; M593-L616 HydrophobicContact SD-CD2 3.92Å; H600-L616 HydrophobicContact CB-CB 4.44Å; H600-L616 WeakPolarHBondContact CB-O 3.28Å; H600-L616 PolarHBondContact O-N 3.15Å; L616-L623 HydrophobicContact CB-CD2 4.25Å; L616-L623 HydrophobicContact CD1-CD2 3.68Å
617N94.2Very high92.4Very high73 Ų7347 Ų4739%0.3925%0.245SC..  trans-88114.8170.7-177.8-71.6000109.9E619 T620 G621 L622N617-E619 VanDerWaalsContact C-N 3.33Å; N617-E619 PolarHBondContact O-N 3.24Å; N617-E619 PolarHBondContact OD1-N 3.11Å; N617-E619 VanDerWaalsContact OD1-N 3.13Å; N617-T620 WeakPolarHBondContact CB-OG1 3.36Å; N617-T620 PolarHBondContact OD1-N 3.43Å; N617-T620 PolarHBondContact OD1-OG1 2.95Å; N617-G621 VanDerWaalsContact O-CA 3.27Å; N617-G621 WeakPolarHBondContact O-CA 3.42Å; N617-G621 PolarHBondContact O-N 2.84Å; N617-L622 PolarHBondContact N-O 3.13Å
618I90.7Very high92.3Very high39 Ų3951.8 Ų51.820%0.226%0.26CS..THydrogen-bonded Turntrans-62.2-39.1-176.2-60.6176.2000112.2L546 P554 H600L546-I618 HydrophobicContact CB-CD1 3.46Å; L546-I618 VanDerWaalsContact CB-CD1 3.46Å; L546-I618 HydrophobicContact CB-CG1 4.01Å; L546-I618 HydrophobicContact CD1-CD1 4.39Å; L546-I618 HydrophobicContact CD1-CG1 4.07Å; P554-I618 HydrophobicContact CG-CG2 4.14Å; H600-I618 HydrophobicContact CB-CG1 4.38Å; H600-I618 WeakPolarHBondContact CD2-CD1 3.49Å; H600-I618 WeakPolarHBondContact NE2-CD1 3.12Å
619E89.7Confident92.1Very high182 Ų18250.7 Ų50.785%0.8526%0.255SS*.THydrogen-bonded Turntrans-71.9-38.1-173.7-61-175.6168.600112.6N617N617-E619 VanDerWaalsContact C-N 3.33Å; N617-E619 PolarHBondContact O-N 3.24Å; N617-E619 PolarHBondContact OD1-N 3.11Å; N617-E619 VanDerWaalsContact OD1-N 3.13Å
620T92.9Very high92Very high63 Ų6355 Ų5539%0.38728%0.281SS..THydrogen-bonded Turntrans-103.8-20.5-174.260.40000113.5N617 L622N617-T620 WeakPolarHBondContact CB-OG1 3.36Å; N617-T620 PolarHBondContact OD1-N 3.43Å; N617-T620 PolarHBondContact OD1-OG1 2.95Å; T620-L622 PolarHBondContact O-N 2.86Å; T620-L622 PolarHBondContact OG1-N 2.89Å
621G92.9Very high91.7Very high0 Ų055.4 Ų55.40%028%0.283CS..  trans73.56-17200000114.5H578 N617H578-G621 VanDerWaalsContact CB-O 3.24Å; H578-G621 WeakPolarHBondContact CB-O 3.36Å; N617-G621 VanDerWaalsContact O-CA 3.27Å; N617-G621 WeakPolarHBondContact O-CA 3.42Å; N617-G621 PolarHBondContact O-N 2.84Å
622L95.3Very high91.1Very high89 Ų8955.4 Ų55.447%0.46628%0.284SS..  trans-71.4140.4-179.7-69.6173.3000111.5N617 T620N617-L622 PolarHBondContact N-O 3.13Å; T620-L622 PolarHBondContact O-N 2.86Å; T620-L622 PolarHBondContact OG1-N 2.89Å
623L96.1Very high90.6Very high19 Ų1959.5 Ų59.510%0.09931%0.309CS..EExtended strand (participates in β ladder)trans-99.3133.5173-58.8-177.8000110.4I568 E580 L602 F614 G615 L616I568-L623 HydrophobicContact CD1-CD2 4.38Å; I568-L623 HydrophobicContact CG1-CD1 4.4Å; I568-L623 HydrophobicContact CG1-CD2 4.05Å; I568-L623 HydrophobicContact CG1-CG 4.23Å; E580-L623 HydrophobicContact CB-CD1 3.93Å; E580-L623 HydrophobicContact CG-CD1 4.47Å; L602-L623 HydrophobicContact CB-CD2 3.9Å; L602-L623 HydrophobicContact CD2-CD1 3.56Å; L602-L623 HydrophobicContact CD2-CD2 3.84Å; L602-L623 HydrophobicContact CD2-CG 4.37Å; F614-L623 HydrophobicContact CB-CB 3.96Å; F614-L623 HydrophobicContact CB-CD1 4.45Å; F614-L623 HydrophobicContact CB-CD2 4.08Å; F614-L623 HydrophobicContact CB-CG 4.39Å; F614-L623 HydrophobicContact CD1-CB 4.15Å; F614-L623 HydrophobicContact CD1-CD1 4.38Å; F614-L623 HydrophobicContact CD2-CD1 4.24Å; F614-L623 HydrophobicContact CG-CB 4.17Å; F614-L623 HydrophobicContact CG-CD1 4.11Å; G615-L623 CarbonylContact O-C 3.56Å; G615-L623 VanDerWaalsContact O-CA 3.29Å; G615-L623 WeakPolarHBondContact O-CA 3.36Å; L616-L623 HydrophobicContact CB-CD2 4.25Å; L616-L623 HydrophobicContact CD1-CD2 3.68Å
624S92.3Very high90.3Very high58 Ų5862.5 Ų62.541%0.40632%0.324SS..EExtended strand (participates in β ladder)trans-123.2168.6176.473.70000111.8F614 G615 R626F614-S624 CarbonylContact C-O 3.59Å; F614-S624 VanDerWaalsContact CA-O 3.28Å; F614-S624 WeakPolarHBondContact CA-O 3.43Å; F614-S624 WeakPolarHBondContact CB-O 3.44Å; G615-S624 PolarHBondContact N-O 3.08Å; G615-S624 PolarHBondContact O-N 2.96Å; S624-R626 PolarHBondContact O-N 2.85Å
625D86.3Confident90Very high115 Ų11565.8 Ų65.862%0.61535%0.346SS*.EExtended strand (participates in β ladder)trans52.148.2166.8-53.5-62.2000114.6K627D625-K627 PolarHBondContact O-N 2.85Å
626R90.4Very high89.9Confident115 Ų11565.1 Ų65.143%0.43434%0.339SS..EExtended strand (participates in β ladder)trans-52.6121.6177.2173.8178.9172166.51.4111E580 M581 L582 F612 F614 S624E580-R626 IonicContact OE1-NH1 3.91Å; E580-R626 PolarHBondContact OE1-NH1 2.96Å; M581-R626 PolarHBondContact O-NH1 2.84Å; L582-R626 PolarHBondContact O-NH2 2.86Å; F612-R626 HydrophobicContact CD1-CG 4.41Å; F612-R626 VanDerWaalsContact CE1-NH2 3.3Å; F614-R626 HydrophobicContact CD1-CB 3.79Å; F614-R626 HydrophobicContact CD1-CG 4.19Å; F614-R626 HydrophobicContact CE1-CB 3.58Å; F614-R626 HydrophobicContact CE1-CG 3.5Å; F614-R626 HydrophobicContact CZ-CG 4.21Å; S624-R626 PolarHBondContact O-N 2.85Å
627K89Confident89.9Confident97 Ų9766.3 Ų66.342%0.42235%0.346SS..EExtended strand (participates in β ladder)trans-128.7151.8172.8-70-177.5-179.8-169.80110.8F612 Y613 D625F612-K627 VanDerWaalsContact CA-O 3.28Å; F612-K627 WeakPolarHBondContact CA-O 3.43Å; Y613-K627 HydrophobicContact CD1-CB 3.92Å; Y613-K627 HydrophobicContact CD2-CB 4.27Å; Y613-K627 HydrophobicContact CE1-CB 3.37Å; Y613-K627 HydrophobicContact CE1-CD 4.33Å; Y613-K627 HydrophobicContact CE1-CG 4.48Å; Y613-K627 HydrophobicContact CE2-CB 3.8Å; Y613-K627 HydrophobicContact CE2-CD 3.62Å; Y613-K627 HydrophobicContact CE2-CG 4.22Å; Y613-K627 HydrophobicContact CG-CB 4.35Å; Y613-K627 VanDerWaalsContact CZ-CD 3.42Å; Y613-K627 PolarHBondContact N-O 2.91Å; Y613-K627 PolarHBondContact O-N 3.04Å; Y613-K627 WeakPolarHBondContact OH-CD 3.46Å; D625-K627 PolarHBondContact O-N 2.85Å
628K88.7Confident90Very high120 Ų12062.9 Ų62.952%0.52233%0.328SS..EExtended strand (participates in β ladder)trans-128.6129.8178.7-172.7-172-178.8-178.10109.4L611 F612L611-K628 WeakPolarHBondContact O-CA 3.4Å; F612-K628 HydrophobicContact CD1-CB 3.92Å; F612-K628 HydrophobicContact CD1-CG 4.15Å; F612-K628 HydrophobicContact CE1-CB 3.66Å; F612-K628 HydrophobicContact CE1-CD 3.85Å; F612-K628 HydrophobicContact CE1-CG 3.72Å; F612-K628 HydrophobicContact CE2-CD 4.26Å; F612-K628 HydrophobicContact CE2-CG 4.25Å; F612-K628 HydrophobicContact CZ-CB 4.27Å; F612-K628 HydrophobicContact CZ-CD 3.59Å; F612-K628 HydrophobicContact CZ-CG 3.8Å
629V86.2Confident90.2Very high36 Ų3665 Ų6522%0.21833%0.334CS..EExtended strand (participates in β ladder)trans-133.2146174.6178.80000108.3A610 L611 Y613 L631 F668A610-V629 CarbonylContact C-O 3.51Å; L611-V629 PolarHBondContact N-O 3.04Å; L611-V629 PolarHBondContact O-N 3.23Å; Y613-V629 HydrophobicContact CE1-CG2 3.94Å; V629-L631 HydrophobicContact CG1-CD2 3.87Å; V629-F668 HydrophobicContact CG2-CE2 4.27Å; V629-F668 HydrophobicContact CG2-CZ 4.31Å
630T84.7Confident90.4Very high91 Ų9158.8 Ų58.856%0.55831%0.308SS*.EExtended strand (participates in β ladder)trans-101117.3173.6-560000108.4G632T630-G632 WeakPolarHBondContact CG2-O 3.07Å
631L84.9Confident90.4Very high9 Ų956.1 Ų56.15%0.04729%0.291CS..  trans-94.2-34-177.9-60.6-175.1000112.2G609 L611 V629 A651 R655 T657 F668G609-L631 PolarHBondContact O-N 3Å; L611-L631 HydrophobicContact CB-CD1 4.04Å; L611-L631 HydrophobicContact CB-CG 4.18Å; L611-L631 HydrophobicContact CD2-CD1 3.71Å; L611-L631 HydrophobicContact CD2-CG 4.44Å; L611-L631 HydrophobicContact CG-CD1 4.46Å; V629-L631 HydrophobicContact CG1-CD2 3.87Å; L631-A651 HydrophobicContact CD1-CB 3.55Å; L631-R655 WeakPolarHBondContact O-CB 3.11Å; L631-T657 HydrophobicContact CD2-CG2 4.1Å; L631-F668 HydrophobicContact CD2-CD1 3.79Å; L631-F668 HydrophobicContact CD2-CE1 4.39Å
632G82.2Confident89.9Confident1 Ų165.2 Ų65.21%0.0133%0.325CS..  trans-154.7-165.2-177.800000111.7G609 T630 D654G609-G632 PolarHBondContact O-N 3.27Å; T630-G632 WeakPolarHBondContact CG2-O 3.07Å; G632-D654 WeakPolarHBondContact CA-OD1 3.45Å
633T85.4Confident88.8Confident94 Ų9462.3 Ų62.358%0.57731%0.313SS*.SBendtrans-110.6-7.7173.868.70000112.9D654T633-D654 WeakPolarHBondContact CB-OD2 3.01Å; T633-D654 PolarHBondContact N-OD1 3.24Å; T633-D654 PolarHBondContact N-OD2 2.87Å; T633-D654 PolarHBondContact OG1-OD2 2.91Å
634Q88Confident87.4Confident85 Ų8568.3 Ų68.340%0.39734%0.344SS..SBendtrans-113.2162.9-178.8-63.1-167.212.800112.2G609 T636 D654G609-Q634 WeakPolarHBondContact CA-O 3.49Å; G609-Q634 PolarHBondContact N-O 2.93Å; Q634-T636 PolarHBondContact O-N 2.76Å; Q634-D654 HydrophobicContact CB-CB 4.32Å; Q634-D654 HydrophobicContact CG-CB 4.05Å; Q634-D654 PolarHBondContact N-OD1 2.77Å
635P90.3Very high86.2Confident71 Ų7171.3 Ų71.346%0.46137%0.365SS..PPolyproline II helixtrans-54.6127.5177.4-25.332.5000113.1R589 G607R589-P635 HydrophobicContact CG-CB 4.33Å; G607-P635 VanDerWaalsContact O-CD 3.31Å; G607-P635 WeakPolarHBondContact O-CD 3.23Å; G607-P635 VanDerWaalsContact O-CG 3.31Å; G607-P635 WeakPolarHBondContact O-CG 3.49Å
636T92.8Very high85.8Confident1 Ų169.3 Ų69.31%0.00636%0.357CS..PPolyproline II helixtrans-95.4133.7-178.2-50.30000112.3S590 A605 Q634 L638 A651 C652S590-T636 VanDerWaalsContact CB-O 3.25Å; S590-T636 WeakPolarHBondContact CB-O 3.28Å; A605-T636 HydrophobicContact CB-CG2 4.42Å; Q634-T636 PolarHBondContact O-N 2.76Å; T636-L638 HydrophobicContact CG2-CD2 4.1Å; T636-A651 HydrophobicContact CG2-CB 3.6Å; T636-C652 CarbonylContact C-O 3.51Å; T636-C652 WeakPolarHBondContact CA-O 3.25Å; T636-C652 WeakPolarHBondContact CG2-O 3.49Å
637V94.9Very high85.6Confident34 Ų3465.8 Ų65.821%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-102.9128.8169.6-178.90000109.9R639 C652 Y678V637-R639 HydrophobicContact CG1-CG 4.48Å; V637-C652 HydrophobicContact CB-CB 4.05Å; V637-C652 PolarHBondContact N-O 2.83Å; V637-C652 WeakPolarHBondContact O-CB 3.34Å; V637-C652 PolarHBondContact O-N 2.89Å; V637-Y678 HydrophobicContact CG2-CE1 4.44Å
638L96.5Very high85.8Confident1 Ų161.3 Ų61.31%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-100.7131.9-179.1-57.3172000111S590 L592 L603 A605 L611 T636 V649 A651S590-L638 PolarHBondContact OG-N 2.85Å; L592-L638 HydrophobicContact CB-CB 4.05Å; L592-L638 HydrophobicContact CB-CD1 4.18Å; L592-L638 HydrophobicContact CD2-CB 3.8Å; L603-L638 HydrophobicContact CB-CD1 3.69Å; A605-L638 HydrophobicContact CB-CD1 4.24Å; A605-L638 HydrophobicContact CB-CG 4.34Å; L611-L638 HydrophobicContact CD1-CD1 3.84Å; L611-L638 HydrophobicContact CD1-CD2 4.25Å; T636-L638 HydrophobicContact CG2-CD2 4.1Å; L638-V649 HydrophobicContact CB-CG1 4.32Å; L638-V649 HydrophobicContact CD2-CG1 4.19Å; L638-A651 HydrophobicContact CD2-CB 3.89Å
639R94.7Very high86.1Confident85 Ų8555.6 Ų55.632%0.32130%0.304SS..EExtended strand (participates in β ladder)trans-139.6139177.3-71.6-70.4178.7-106.59.4111.1V637 V649 F650 M679V637-R639 HydrophobicContact CG1-CG 4.48Å; R639-V649 CarbonylContact O-C 3.58Å; R639-V649 WeakPolarHBondContact O-CA 3.05Å; R639-F650 PolarHBondContact N-O 2.92Å; R639-F650 PolarHBondContact O-N 2.76Å; R639-M679 HydrophobicContact CB-CE 4.2Å; R639-M679 HydrophobicContact CB-CG 3.87Å; R639-M679 HydrophobicContact CB-SD 3.84Å; R639-M679 HydrophobicContact CG-CG 4.16Å; R639-M679 WeakPolarHBondContact CG-O 3.44Å
640T93.7Very high86.5Confident51 Ų5153.9 Ų53.931%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-83.3146.6170.548.30000110.5L592 T647 N648 V649L592-T640 HydrophobicContact CD1-CG2 4.36Å; L592-T640 HydrophobicContact CD2-CG2 4.03Å; T640-T647 HydrophobicContact CG2-CG2 4.26Å; T640-N648 CarbonylContact C-O 3.56Å; T640-N648 VanDerWaalsContact CA-O 3.31Å; T640-N648 WeakPolarHBondContact CA-O 3.46Å; T640-V649 HydrophobicContact CG2-CG2 4Å
641F92.3Very high87Confident6 Ų649.6 Ų49.63%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-142.9164.516671.4-79.3000108.9N648 F650 V658 P681 L691 I704F641-N648 HydrophobicContact CD1-CB 4.16Å; F641-N648 HydrophobicContact CE1-CB 3.59Å; F641-N648 HydrophobicContact CE2-CB 4.11Å; F641-N648 HydrophobicContact CZ-CB 3.56Å; F641-N648 PolarHBondContact N-O 2.79Å; F641-N648 PolarHBondContact O-N 2.88Å; F641-N648 VanDerWaalsContact O-O 3.12Å; F641-F650 HydrophobicContact CD1-CB 4Å; F641-F650 HydrophobicContact CE1-CB 3.99Å; F641-F650 HydrophobicContact CE1-CD2 4.22Å; F641-V658 HydrophobicContact CE1-CG1 4.18Å; F641-V658 HydrophobicContact CE1-CG2 4.28Å; F641-V658 HydrophobicContact CZ-CG1 3.95Å; F641-V658 HydrophobicContact CZ-CG2 4.17Å; F641-P681 HydrophobicContact CB-CB 4.29Å; F641-L691 HydrophobicContact CB-CD2 3.88Å; F641-L691 HydrophobicContact CD2-CD2 4.04Å; F641-L691 HydrophobicContact CG-CD2 4.04Å; F641-I704 HydrophobicContact CE2-CD1 4.41Å; F641-I704 HydrophobicContact CE2-CG2 4.06Å; F641-I704 HydrophobicContact CZ-CD1 4.1Å
642R83.8Confident87.5Confident192 Ų19249.2 Ų49.273%0.72527%0.265SS*.EExtended strand (participates in β ladder)trans-113.3140.5174.8-71-175.8178.5170.30.7110.3T646R642-T646 CarbonylContact C-O 3.45Å; R642-T646 WeakPolarHBondContact CA-O 3.33Å
643S71.6Confident88Confident28 Ų2849.2 Ų49.220%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-136128.7170.3174.40000108.5S645 T646S643-S645 PolarHBondContact O-N 3.35Å; S643-S645 VanDerWaalsContact O-N 3.08Å; S643-T646 PolarHBondContact N-O 3.25Å; S643-T646 PolarHBondContact O-N 2.7Å; S643-T646 PolarHBondContact O-OG1 3.25Å
644L66Low88.2Confident144 Ų14446.2 Ų46.275%0.75425%0.246SC*.THydrogen-bonded Turntrans45.645.2176.5-61171.8000113.6T646L644-T646 VanDerWaalsContact C-N 3.33Å; L644-T646 PolarHBondContact O-N 2.83Å
645S67.7Low88.1Confident121 Ų12146.5 Ų46.585%0.84624%0.243SC*.THydrogen-bonded Turntrans74.7-5-176.378.20000118S643S643-S645 PolarHBondContact O-N 3.35Å; S643-S645 VanDerWaalsContact O-N 3.08Å
646T77.8Confident88.1Confident73 Ų7343.1 Ų43.145%0.44822%0.221SC..EExtended strand (participates in β ladder)trans-92.2144.7175.565.30000111.5R642 S643 L644 N648R642-T646 CarbonylContact C-O 3.45Å; R642-T646 WeakPolarHBondContact CA-O 3.33Å; S643-T646 PolarHBondContact N-O 3.25Å; S643-T646 PolarHBondContact O-N 2.7Å; S643-T646 PolarHBondContact O-OG1 3.25Å; L644-T646 VanDerWaalsContact C-N 3.33Å; L644-T646 PolarHBondContact O-N 2.83Å; T646-N648 PolarHBondContact OG1-ND2 2.75Å
647T87.5Confident88Confident41 Ų4143.1 Ų43.125%0.25222%0.221SC..EExtended strand (participates in β ladder)trans-95.4124.2172.9-60.10000109.2F596 T640F596-T647 WeakPolarHBondContact CD1-O 3.45Å; T640-T647 HydrophobicContact CG2-CG2 4.26Å
648N91.8Very high87.8Confident4 Ų441.5 Ų41.52%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-121.1160.9-179.8-59.7-47.7000109.7T640 F641 T646 V658 Y660 I707T640-N648 CarbonylContact C-O 3.56Å; T640-N648 VanDerWaalsContact CA-O 3.31Å; T640-N648 WeakPolarHBondContact CA-O 3.46Å; F641-N648 HydrophobicContact CD1-CB 4.16Å; F641-N648 HydrophobicContact CE1-CB 3.59Å; F641-N648 HydrophobicContact CE2-CB 4.11Å; F641-N648 HydrophobicContact CZ-CB 3.56Å; F641-N648 PolarHBondContact N-O 2.79Å; F641-N648 PolarHBondContact O-N 2.88Å; F641-N648 VanDerWaalsContact O-O 3.12Å; T646-N648 PolarHBondContact OG1-ND2 2.75Å; N648-V658 HydrophobicContact CB-CG1 4.31Å; N648-Y660 WeakPolarHBondContact OD1-CB 3.27Å; N648-I707 WeakPolarHBondContact ND2-CD1 3.32Å
649V95.1Very high87.5Confident0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-115.4128175.41730000109.2L592 T594 F596 L603 L638 R639 T640 V658 I659L592-V649 HydrophobicContact CD2-CG1 3.84Å; L592-V649 HydrophobicContact CD2-CG2 3.83Å; T594-V649 HydrophobicContact CG2-CG2 3.95Å; F596-V649 HydrophobicContact CE1-CG2 4.26Å; F596-V649 HydrophobicContact CE2-CG2 4.33Å; F596-V649 HydrophobicContact CZ-CB 4.08Å; F596-V649 HydrophobicContact CZ-CG2 3.56Å; L603-V649 HydrophobicContact CD2-CG1 4.42Å; L638-V649 HydrophobicContact CB-CG1 4.32Å; L638-V649 HydrophobicContact CD2-CG1 4.19Å; R639-V649 CarbonylContact O-C 3.58Å; R639-V649 WeakPolarHBondContact O-CA 3.05Å; T640-V649 HydrophobicContact CG2-CG2 4Å; V649-V658 CarbonylContact O-C 3.58Å; V649-V658 WeakPolarHBondContact O-CA 3.5Å; V649-I659 HydrophobicContact CB-CB 4.14Å; V649-I659 HydrophobicContact CB-CD1 4.43Å; V649-I659 HydrophobicContact CG1-CD1 4.11Å; V649-I659 PolarHBondContact N-O 2.71Å; V649-I659 PolarHBondContact O-N 3.43Å
650F95.4Very high87.1Confident0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-95.7124.8169.8-157.4-76.7000109.2R639 F641 P656 V658 V671 V676 M679 L691 L693R639-F650 PolarHBondContact N-O 2.92Å; R639-F650 PolarHBondContact O-N 2.76Å; F641-F650 HydrophobicContact CD1-CB 4Å; F641-F650 HydrophobicContact CE1-CB 3.99Å; F641-F650 HydrophobicContact CE1-CD2 4.22Å; F650-P656 HydrophobicContact CE1-CB 3.83Å; F650-P656 HydrophobicContact CZ-CB 3.85Å; F650-V658 HydrophobicContact CD2-CG2 3.77Å; F650-V658 HydrophobicContact CE2-CG2 4.07Å; F650-V671 HydrophobicContact CE2-CG2 3.88Å; F650-V671 HydrophobicContact CZ-CG2 4.09Å; F650-V676 HydrophobicContact CE1-CB 4.13Å; F650-V676 HydrophobicContact CE1-CG1 4Å; F650-V676 HydrophobicContact CE1-CG2 4.31Å; F650-V676 HydrophobicContact CZ-CG2 4.35Å; F650-M679 HydrophobicContact CB-CG 3.99Å; F650-M679 HydrophobicContact CB-SD 3.31Å; F650-M679 WeakPolarHBondContact CB-SD 3.42Å; F650-M679 HydrophobicContact CD1-CG 3.92Å; F650-M679 HydrophobicContact CD1-SD 4.22Å; F650-M679 HydrophobicContact CD2-SD 4.24Å; F650-M679 HydrophobicContact CG-CG 4.04Å; F650-M679 HydrophobicContact CG-SD 3.69Å; F650-L691 HydrophobicContact CD2-CD1 4.46Å; F650-L693 HydrophobicContact CE2-CD2 4.5Å; F650-L693 HydrophobicContact CZ-CD2 4.32Å
651A95.3Very high86.5Confident0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-98.1101.8172.200000108.8L631 T636 L638 S653 P656 T657L631-A651 HydrophobicContact CD1-CB 3.55Å; T636-A651 HydrophobicContact CG2-CB 3.6Å; L638-A651 HydrophobicContact CD2-CB 3.89Å; A651-S653 PolarHBondContact O-N 3.41Å; A651-P656 WeakPolarHBondContact O-CA 3.23Å; A651-T657 WeakPolarHBondContact CB-O 3.42Å; A651-T657 PolarHBondContact N-O 3.39Å; A651-T657 PolarHBondContact O-N 2.98Å
652C94.9Very high85.4Confident1 Ų139.7 Ų39.71%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-75.2117.9177.1-53.40000109.1T636 V637 V676 M679T636-C652 CarbonylContact C-O 3.51Å; T636-C652 WeakPolarHBondContact CA-O 3.25Å; T636-C652 WeakPolarHBondContact CG2-O 3.49Å; V637-C652 HydrophobicContact CB-CB 4.05Å; V637-C652 PolarHBondContact N-O 2.83Å; V637-C652 WeakPolarHBondContact O-CB 3.34Å; V637-C652 PolarHBondContact O-N 2.89Å; C652-V676 CarbonylContact C-O 3.58Å; C652-V676 VanDerWaalsContact CA-O 3.28Å; C652-V676 WeakPolarHBondContact CA-O 3.37Å; C652-V676 HydrophobicContact CB-CG1 4.16Å; C652-V676 WeakPolarHBondContact CB-O 3.43Å; C652-M679 WeakPolarHBondContact SG-CG 3.2Å
653S92.1Very high84.4Confident2 Ų235.5 Ų35.51%0.01420%0.202CC..SBendtrans-159.4-169.7175.664.70000110.5A651 R655 E675 V676A651-S653 PolarHBondContact O-N 3.41Å; S653-R655 PolarHBondContact O-N 2.81Å; S653-R655 PolarHBondContact OG-N 2.74Å; S653-R655 PolarHBondContact OG-O 3.18Å; S653-E675 WeakPolarHBondContact O-CA 3.45Å; S653-V676 PolarHBondContact N-O 3.45Å; S653-V676 PolarHBondContact O-N 3.29Å
654D89.2Confident84.2Confident31 Ų3139.9 Ų39.917%0.16622%0.22CC..SBendtrans-67.8-4.3165.262.4-40.6000113.9G632 T633 Q634 K674G632-D654 WeakPolarHBondContact CA-OD1 3.45Å; T633-D654 WeakPolarHBondContact CB-OD2 3.01Å; T633-D654 PolarHBondContact N-OD1 3.24Å; T633-D654 PolarHBondContact N-OD2 2.87Å; T633-D654 PolarHBondContact OG1-OD2 2.91Å; Q634-D654 HydrophobicContact CB-CB 4.32Å; Q634-D654 HydrophobicContact CG-CB 4.05Å; Q634-D654 PolarHBondContact N-OD1 2.77Å; D654-K674 CarbonylContact C-O 3.6Å
655R86.2Confident84.3Confident90 Ų9036.4 Ų36.434%0.3420%0.198SC..SBendtrans-141.576.7170.7-71.2-174.4-176.2157-2.4108.4L631 S653 T657L631-R655 WeakPolarHBondContact O-CB 3.11Å; S653-R655 PolarHBondContact O-N 2.81Å; S653-R655 PolarHBondContact OG-N 2.74Å; S653-R655 PolarHBondContact OG-O 3.18Å; R655-T657 PolarHBondContact O-N 3.37Å; R655-T657 PolarHBondContact O-OG1 2.84Å
656P91.4Very high85Confident1 Ų131.7 Ų31.71%0.00616%0.164CC..  trans-53.8127.9-175.2-23.534000110.3F650 A651 V671 L673 V676F650-P656 HydrophobicContact CE1-CB 3.83Å; F650-P656 HydrophobicContact CZ-CB 3.85Å; A651-P656 WeakPolarHBondContact O-CA 3.23Å; P656-V671 HydrophobicContact CB-CB 4.17Å; P656-V671 PolarHBondContact O-N 3.01Å; P656-L673 VanDerWaalsContact CD-O 3.28Å; P656-L673 WeakPolarHBondContact CD-O 3.3Å; P656-L673 HydrophobicContact CG-CB 4.21Å; P656-V676 HydrophobicContact CB-CB 4.25Å; P656-V676 HydrophobicContact CB-CG2 4.04Å; P656-V676 HydrophobicContact CG-CB 3.92Å; P656-V676 HydrophobicContact CG-CG2 3.67Å
657T89.5Confident85Confident1 Ų130.4 Ų30.41%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-129.6135.5-173.6-58.10000110.3L631 A651 R655 F668 S669 N670L631-T657 HydrophobicContact CD2-CG2 4.1Å; A651-T657 WeakPolarHBondContact CB-O 3.42Å; A651-T657 PolarHBondContact N-O 3.39Å; A651-T657 PolarHBondContact O-N 2.98Å; R655-T657 PolarHBondContact O-N 3.37Å; R655-T657 PolarHBondContact O-OG1 2.84Å; T657-F668 HydrophobicContact CG2-CB 3.99Å; T657-F668 HydrophobicContact CG2-CD1 4.39Å; T657-S669 CarbonylContact C-O 3.56Å; T657-S669 WeakPolarHBondContact CA-O 3.13Å; T657-N670 PolarHBondContact OG1-OD1 3.05Å
658V90.7Very high84.9Confident0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-96.1132.9167.6174.60000109.5I394 F641 N648 V649 F650 Y660 S669 V671 I704 I707I394-V658 HydrophobicContact CD1-CB 3.79Å; I394-V658 HydrophobicContact CD1-CG1 4.32Å; I394-V658 HydrophobicContact CD1-CG2 4.14Å; F641-V658 HydrophobicContact CE1-CG1 4.18Å; F641-V658 HydrophobicContact CE1-CG2 4.28Å; F641-V658 HydrophobicContact CZ-CG1 3.95Å; F641-V658 HydrophobicContact CZ-CG2 4.17Å; N648-V658 HydrophobicContact CB-CG1 4.31Å; V649-V658 CarbonylContact O-C 3.58Å; V649-V658 WeakPolarHBondContact O-CA 3.5Å; F650-V658 HydrophobicContact CD2-CG2 3.77Å; F650-V658 HydrophobicContact CE2-CG2 4.07Å; V658-Y660 HydrophobicContact CG1-CD1 4.3Å; V658-S669 PolarHBondContact N-O 3.41Å; V658-S669 PolarHBondContact O-N 3.09Å; V658-V671 HydrophobicContact CG2-CG2 3.63Å; V658-I704 HydrophobicContact CG2-CD1 3.71Å; V658-I707 HydrophobicContact CG1-CD1 4.1Å
659I90.9Very high84.4Confident0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-110.9119.9175.1-44.7172.8000106.9F596 L603 L611 V649 L666 V667 F668F596-I659 WeakPolarHBondContact CE1-O 3.32Å; F596-I659 HydrophobicContact CZ-CG2 4.12Å; L603-I659 HydrophobicContact CD2-CD1 3.77Å; L611-I659 HydrophobicContact CD2-CD1 3.62Å; V649-I659 HydrophobicContact CB-CB 4.14Å; V649-I659 HydrophobicContact CB-CD1 4.43Å; V649-I659 HydrophobicContact CG1-CD1 4.11Å; V649-I659 PolarHBondContact N-O 2.71Å; V649-I659 PolarHBondContact O-N 3.43Å; I659-L666 HydrophobicContact CG2-CB 4.19Å; I659-L666 HydrophobicContact CG2-CD1 4.36Å; I659-V667 WeakPolarHBondContact CA-O 3.5Å; I659-F668 HydrophobicContact CB-CD1 4.47Å; I659-F668 HydrophobicContact CB-CE1 4.46Å; I659-F668 HydrophobicContact CD1-CD1 4.15Å; I659-F668 HydrophobicContact CD1-CE1 3.81Å; I659-F668 HydrophobicContact CG1-CD1 3.73Å; I659-F668 HydrophobicContact CG1-CE1 3.83Å; I659-F668 HydrophobicContact CG2-CD1 4.22Å; I659-F668 HydrophobicContact CG2-CE1 3.88Å; I659-F668 HydrophobicContact CG2-CZ 4.3Å
660Y87.1Confident83.7Confident29 Ų2935.8 Ų35.811%0.11418%0.182CC..EExtended strand (participates in β ladder)trans-138164.8-179.964.3-77.5000109.1N648 V658 L666 V667 S669 I707N648-Y660 WeakPolarHBondContact OD1-CB 3.27Å; V658-Y660 HydrophobicContact CG1-CD1 4.3Å; Y660-L666 CarbonylContact O-C 3.55Å; Y660-L666 WeakPolarHBondContact O-CA 3.45Å; Y660-V667 HydrophobicContact CD1-CB 4.21Å; Y660-V667 HydrophobicContact CD2-CB 4.47Å; Y660-V667 HydrophobicContact CE1-CB 3.67Å; Y660-V667 HydrophobicContact CE1-CG1 3.66Å; Y660-V667 HydrophobicContact CE2-CB 4Å; Y660-V667 HydrophobicContact CE2-CG1 4.38Å; Y660-V667 HydrophobicContact CE2-CG2 4.39Å; Y660-V667 PolarHBondContact N-O 3.02Å; Y660-V667 PolarHBondContact O-N 2.77Å; Y660-V667 WeakPolarHBondContact OH-CG1 3.41Å; Y660-S669 WeakPolarHBondContact CE1-OG 3.2Å; Y660-I707 HydrophobicContact CD1-CG2 3.42Å; Y660-I707 VanDerWaalsContact CD1-CG2 3.42Å; Y660-I707 HydrophobicContact CD2-CG2 3.84Å; Y660-I707 HydrophobicContact CE1-CG2 3.18Å; Y660-I707 HydrophobicContact CE2-CG2 3.61Å; Y660-I707 HydrophobicContact CG-CD1 4.23Å; Y660-I707 HydrophobicContact CG-CG2 3.74Å
661S81.4Confident83.2Confident21 Ų2136.1 Ų36.115%0.14718%0.184CC..EExtended strand (participates in β ladder)trans-102.8135.7173.9-168.70000111E597 K665E597-S661 WeakPolarHBondContact OE2-CB 2.95Å; E597-S661 PolarHBondContact OE2-OG 2.8Å; S661-K665 VanDerWaalsContact CA-O 3.27Å; S661-K665 WeakPolarHBondContact CA-O 3.43Å; S661-K665 PolarHBondContact OG-N 3.32Å; S661-K665 PolarHBondContact OG-O 3.47Å
662S67.7Low82.4Confident54 Ų5437.9 Ų37.938%0.37819%0.193SC..EExtended strand (participates in β ladder)trans-135121.7172177.50000107.2H664 K665S662-H664 PolarHBondContact O-N 3.49Å; S662-K665 PolarHBondContact N-O 2.7Å; S662-K665 PolarHBondContact O-N 2.81Å
663N62.9Low81.9Confident104 Ų10440.7 Ų40.756%0.55621%0.207SC*.THydrogen-bonded Turntrans55.844.5-177.2-62.7-25.2000113.4K665 D1099N663-K665 PolarHBondContact O-N 2.77Å; N663-D1099 PolarHBondContact ND2-OD1 3.47Å
664H67.2Low81.5Confident121 Ų12148.4 Ų48.456%0.5624%0.241SC*.THydrogen-bonded Turntrans61.525.4-178.6-47.4-67.1000114.6E597 S662E597-H664 WeakPolarHBondContact OE2-CA 3.45Å; E597-H664 PolarHBondContact OE2-N 2.85Å; E597-H664 IonicContact OE2-ND1 3.48Å; S662-H664 PolarHBondContact O-N 3.49Å
665K67.9Low81.5Confident70 Ų7049.1 Ų49.130%0.30424%0.243SC..EExtended strand (participates in β ladder)trans-130.9141.6176.2-68.9-179.1179.6171.40111S661 S662 N663 L1098S661-K665 VanDerWaalsContact CA-O 3.27Å; S661-K665 WeakPolarHBondContact CA-O 3.43Å; S661-K665 PolarHBondContact OG-N 3.32Å; S661-K665 PolarHBondContact OG-O 3.47Å; S662-K665 PolarHBondContact N-O 2.7Å; S662-K665 PolarHBondContact O-N 2.81Å; N663-K665 PolarHBondContact O-N 2.77Å; K665-L1098 PolarHBondContact NZ-O 3.1Å
666L82.3Confident81.9Confident22 Ų2245 Ų4512%0.11523%0.228CC..EExtended strand (participates in β ladder)trans-76.2123.9175.1-56.1-174.5000111.1F596 Y601 Y613 I659 Y660 F668F596-L666 HydrophobicContact CB-CD2 4.08Å; F596-L666 HydrophobicContact CD1-CD2 4.16Å; F596-L666 HydrophobicContact CD2-CD2 3.35Å; F596-L666 HydrophobicContact CE1-CD2 4.37Å; F596-L666 HydrophobicContact CE2-CD1 4.25Å; F596-L666 HydrophobicContact CE2-CD2 3.6Å; F596-L666 HydrophobicContact CG-CD2 3.63Å; F596-L666 HydrophobicContact CZ-CD2 4.11Å; Y601-L666 HydrophobicContact CD1-CD1 4.02Å; Y601-L666 HydrophobicContact CE1-CD1 4.09Å; Y601-L666 HydrophobicContact CE1-CG 4.39Å; Y601-L666 HydrophobicContact CE2-CD2 4.3Å; Y601-L666 HydrophobicContact CG-CD1 4.32Å; Y613-L666 HydrophobicContact CD2-CD1 3.81Å; Y613-L666 HydrophobicContact CE2-CD1 3.99Å; Y613-L666 HydrophobicContact CG-CD1 4.46Å; I659-L666 HydrophobicContact CG2-CB 4.19Å; I659-L666 HydrophobicContact CG2-CD1 4.36Å; Y660-L666 CarbonylContact O-C 3.55Å; Y660-L666 WeakPolarHBondContact O-CA 3.45Å; L666-F668 HydrophobicContact CB-CE2 4.31Å; L666-F668 HydrophobicContact CB-CZ 4.4Å
667V79.7Confident82Confident47 Ų4746.5 Ų46.529%0.28524%0.236SC..EExtended strand (participates in β ladder)trans-108.4142.4173.6-1770000108.8I659 Y660I659-V667 WeakPolarHBondContact CA-O 3.5Å; Y660-V667 HydrophobicContact CD1-CB 4.21Å; Y660-V667 HydrophobicContact CD2-CB 4.47Å; Y660-V667 HydrophobicContact CE1-CB 3.67Å; Y660-V667 HydrophobicContact CE1-CG1 3.66Å; Y660-V667 HydrophobicContact CE2-CB 4Å; Y660-V667 HydrophobicContact CE2-CG1 4.38Å; Y660-V667 HydrophobicContact CE2-CG2 4.39Å; Y660-V667 PolarHBondContact N-O 3.02Å; Y660-V667 PolarHBondContact O-N 2.77Å; Y660-V667 WeakPolarHBondContact OH-CG1 3.41Å
668F84.2Confident82.3Confident55 Ų5549.1 Ų49.124%0.24125%0.246CC..EExtended strand (participates in β ladder)trans-116.6117.9-178.4-58.5-95.3000108.3L611 Y613 V629 L631 T657 I659 L666L611-F668 HydrophobicContact CD2-CE1 3.89Å; Y613-F668 HydrophobicContact CD1-CZ 4.23Å; Y613-F668 HydrophobicContact CE1-CE2 4.28Å; Y613-F668 AromaticContact CE1-CZ 3.76Å; Y613-F668 HydrophobicContact CE1-CZ 3.76Å; V629-F668 HydrophobicContact CG2-CE2 4.27Å; V629-F668 HydrophobicContact CG2-CZ 4.31Å; L631-F668 HydrophobicContact CD2-CD1 3.79Å; L631-F668 HydrophobicContact CD2-CE1 4.39Å; T657-F668 HydrophobicContact CG2-CB 3.99Å; T657-F668 HydrophobicContact CG2-CD1 4.39Å; I659-F668 HydrophobicContact CB-CD1 4.47Å; I659-F668 HydrophobicContact CB-CE1 4.46Å; I659-F668 HydrophobicContact CD1-CD1 4.15Å; I659-F668 HydrophobicContact CD1-CE1 3.81Å; I659-F668 HydrophobicContact CG1-CD1 3.73Å; I659-F668 HydrophobicContact CG1-CE1 3.83Å; I659-F668 HydrophobicContact CG2-CD1 4.22Å; I659-F668 HydrophobicContact CG2-CE1 3.88Å; I659-F668 HydrophobicContact CG2-CZ 4.3Å; L666-F668 HydrophobicContact CB-CE2 4.31Å; L666-F668 HydrophobicContact CB-CZ 4.4Å
669S80.7Confident82.5Confident14 Ų1449.2 Ų49.210%0.09825%0.247CC..EExtended strand (participates in β ladder)trans-126126-179.5-67.50000110.2T657 V658 Y660T657-S669 CarbonylContact C-O 3.56Å; T657-S669 WeakPolarHBondContact CA-O 3.13Å; V658-S669 PolarHBondContact N-O 3.41Å; V658-S669 PolarHBondContact O-N 3.09Å; Y660-S669 WeakPolarHBondContact CE1-OG 3.2Å
670N81.9Confident82.7Confident89 Ų8949.4 Ų49.448%0.47625%0.248SC..EExtended strand (participates in β ladder)trans-64.4140.2175.3-67.9-26.5000109.5G393 I394 T657G393-N670 CarbonylContact C-O 3.59Å; G393-N670 WeakPolarHBondContact CA-O 3.4Å; I394-N670 PolarHBondContact N-O 3.04Å; T657-N670 PolarHBondContact OG1-OD1 3.05Å
671V84.1Confident83.1Confident7 Ų750.7 Ų50.74%0.04226%0.26CS..BIsolated β-bridgetrans-93.3139.8170.2-175.50000107.5I394 I396 F650 P656 V658 L673I394-V671 CarbonylContact O-C 3.51Å; I394-V671 WeakPolarHBondContact O-CA 3.29Å; I396-V671 HydrophobicContact CD1-CG1 3.91Å; I396-V671 HydrophobicContact CG1-CG1 3.44Å; I396-V671 VanDerWaalsContact CG1-CG1 3.44Å; F650-V671 HydrophobicContact CE2-CG2 3.88Å; F650-V671 HydrophobicContact CZ-CG2 4.09Å; P656-V671 HydrophobicContact CB-CB 4.17Å; P656-V671 PolarHBondContact O-N 3.01Å; V658-V671 HydrophobicContact CG2-CG2 3.63Å; V671-L673 HydrophobicContact CG1-CD1 4.23Å; V671-L673 HydrophobicContact CG1-CG 4.15Å; V671-L673 PolarHBondContact O-N 3.18Å
672N78.7Confident83.7Confident37 Ų3749.8 Ų49.820%0.19825%0.253CS..SBendtrans-74.551.2-177.3-63.3-46000112.5R391 N392 G393 I394R391-N672 VanDerWaalsContact CZ-ND2 3.3Å; R391-N672 PolarHBondContact NE-ND2 2.95Å; N392-N672 PolarHBondContact O-OD1 3.35Å; G393-N672 PolarHBondContact O-ND2 2.61Å; G393-N672 VanDerWaalsContact O-ND2 3.13Å; I394-N672 VanDerWaalsContact C-ND2 3.28Å; I394-N672 PolarHBondContact O-N 2.94Å; I394-N672 PolarHBondContact O-ND2 3.13Å; I394-N672 VanDerWaalsContact O-ND2 3.11Å
673L83.3Confident84.9Confident59 Ų5950.4 Ų50.431%0.30925%0.252SS..  trans-128.3145.8175.3-70.2178.6000109.2I396 P656 V671 V676 L693I396-L673 HydrophobicContact CB-CD1 4.41Å; I396-L673 HydrophobicContact CG1-CD1 3.84Å; I396-L673 HydrophobicContact CG1-CG 4.18Å; P656-L673 VanDerWaalsContact CD-O 3.28Å; P656-L673 WeakPolarHBondContact CD-O 3.3Å; P656-L673 HydrophobicContact CG-CB 4.21Å; V671-L673 HydrophobicContact CG1-CD1 4.23Å; V671-L673 HydrophobicContact CG1-CG 4.15Å; V671-L673 PolarHBondContact O-N 3.18Å; L673-V676 HydrophobicContact CB-CG2 4.42Å; L673-V676 HydrophobicContact CD1-CG2 3.86Å; L673-L693 HydrophobicContact CD1-CD1 3.5Å
674K84Confident86.3Confident165 Ų16545.6 Ų45.672%0.71723%0.227SC*.SBendtrans-69.8-43-177-68.5-177.1178.9177.20113.6D654D654-K674 CarbonylContact C-O 3.6Å
675E90.1Very high87.3Confident46 Ų4644.9 Ų44.922%0.21523%0.227CC..  trans-159.2137-174.3-174.6-172.7164.600108.8S653 N677 N695 N696S653-E675 WeakPolarHBondContact O-CA 3.45Å; E675-N677 PolarHBondContact OE1-ND2 3.29Å; E675-N677 PolarHBondContact OE1-OD1 3.33Å; E675-N677 VanDerWaalsContact OE1-OD1 3.12Å; E675-N695 WeakPolarHBondContact O-CB 3.31Å; E675-N696 VanDerWaalsContact CD-ND2 3.26Å; E675-N696 PolarHBondContact OE1-ND2 3.47Å; E675-N696 PolarHBondContact OE2-ND2 2.85Å
676V94.3Very high88.4Confident3 Ų342.3 Ų42.32%0.01822%0.22CC..  trans-135.3122169.3176.60000106.9F650 C652 S653 P656 L673 Y678 M679 L693F650-V676 HydrophobicContact CE1-CB 4.13Å; F650-V676 HydrophobicContact CE1-CG1 4Å; F650-V676 HydrophobicContact CE1-CG2 4.31Å; F650-V676 HydrophobicContact CZ-CG2 4.35Å; C652-V676 CarbonylContact C-O 3.58Å; C652-V676 VanDerWaalsContact CA-O 3.28Å; C652-V676 WeakPolarHBondContact CA-O 3.37Å; C652-V676 HydrophobicContact CB-CG1 4.16Å; C652-V676 WeakPolarHBondContact CB-O 3.43Å; S653-V676 PolarHBondContact N-O 3.45Å; S653-V676 PolarHBondContact O-N 3.29Å; P656-V676 HydrophobicContact CB-CB 4.25Å; P656-V676 HydrophobicContact CB-CG2 4.04Å; P656-V676 HydrophobicContact CG-CB 3.92Å; P656-V676 HydrophobicContact CG-CG2 3.67Å; L673-V676 HydrophobicContact CB-CG2 4.42Å; L673-V676 HydrophobicContact CD1-CG2 3.86Å; V676-Y678 WeakPolarHBondContact CG1-O 3.33Å; V676-M679 HydrophobicContact CG1-CB 4.41Å; V676-L693 HydrophobicContact CG1-CB 4.37Å; V676-L693 HydrophobicContact CG1-CD2 4.31Å
677N94.3Very high88.8Confident33 Ų3341.9 Ų41.918%0.17622%0.217CC..SBendtrans-92.6-38.5-179.6-73.7-45.6000112E675 A694 N696E675-N677 PolarHBondContact OE1-ND2 3.29Å; E675-N677 PolarHBondContact OE1-OD1 3.33Å; E675-N677 VanDerWaalsContact OE1-OD1 3.12Å; N677-A694 PolarHBondContact N-O 3.32Å; N677-N696 PolarHBondContact ND2-OD1 3.29Å
678Y94.9Very high89.1Confident56 Ų5643.3 Ų43.322%0.2223%0.228CC..EExtended strand (participates in β ladder)trans-141.4145.6179.4-61.1-83.1000109.7I407 K408 V637 V676 A694I407-Y678 HydrophobicContact CG2-CD2 4.49Å; I407-Y678 VanDerWaalsContact O-CE2 3.32Å; I407-Y678 WeakPolarHBondContact O-CE2 3.41Å; K408-Y678 VanDerWaalsContact C-CZ 3.48Å; K408-Y678 VanDerWaalsContact CA-CE2 3.5Å; K408-Y678 HydrophobicContact CD-CE2 4.42Å; K408-Y678 WeakPolarHBondContact O-CE1 3.4Å; K408-Y678 PolarHBondContact O-OH 2.99Å; V637-Y678 HydrophobicContact CG2-CE1 4.44Å; V676-Y678 WeakPolarHBondContact CG1-O 3.33Å; Y678-A694 PolarHBondContact N-O 2.91Å; Y678-A694 PolarHBondContact O-N 3.33Å
679M95.1Very high89.2Confident2 Ų247 Ų471%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-138.7151.3168.671.5119-59.200111.3R639 F650 C652 V676 L691 A692 L693R639-M679 HydrophobicContact CB-CE 4.2Å; R639-M679 HydrophobicContact CB-CG 3.87Å; R639-M679 HydrophobicContact CB-SD 3.84Å; R639-M679 HydrophobicContact CG-CG 4.16Å; R639-M679 WeakPolarHBondContact CG-O 3.44Å; F650-M679 HydrophobicContact CB-CG 3.99Å; F650-M679 HydrophobicContact CB-SD 3.31Å; F650-M679 WeakPolarHBondContact CB-SD 3.42Å; F650-M679 HydrophobicContact CD1-CG 3.92Å; F650-M679 HydrophobicContact CD1-SD 4.22Å; F650-M679 HydrophobicContact CD2-SD 4.24Å; F650-M679 HydrophobicContact CG-CG 4.04Å; F650-M679 HydrophobicContact CG-SD 3.69Å; C652-M679 WeakPolarHBondContact SG-CG 3.2Å; V676-M679 HydrophobicContact CG1-CB 4.41Å; M679-L691 HydrophobicContact CE-CD2 4.16Å; M679-A692 CarbonylContact C-O 3.51Å; M679-A692 WeakPolarHBondContact CA-O 3.27Å; M679-L693 HydrophobicContact CB-CD2 3.56Å
680C95.6Very high89.7Confident4 Ų446.5 Ų46.53%0.02725%0.246CC..EExtended strand (participates in β ladder)trans-135.2145.4162.270.50000111L410 L425 A692L410-C680 HydrophobicContact CB-CB 4.11Å; L425-C680 VanDerWaalsContact CD1-SG 3.59Å; C680-A692 PolarHBondContact N-O 3.47Å; C680-A692 PolarHBondContact O-N 3.02Å
681P94.5Very high90.3Very high55 Ų5542.5 Ų42.536%0.35723%0.225SC..EExtended strand (participates in β ladder)trans-61.7145.6168.728.3-33.3000108.5P412 F641P412-P681 WeakPolarHBondContact CG-O 3.49Å; F641-P681 HydrophobicContact CB-CB 4.29Å
682L94.3Very high90.9Very high2 Ų242.2 Ų42.21%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-138.8113.3179.117965000109.2P412 D422 L438 Y687 S690 I701P412-L682 HydrophobicContact CB-CD1 4.37Å; D422-L682 HydrophobicContact CB-CD1 4.13Å; L438-L682 HydrophobicContact CD1-CD1 3.53Å; L438-L682 HydrophobicContact CD1-CD2 4.12Å; L438-L682 HydrophobicContact CD1-CG 4.34Å; L682-Y687 HydrophobicContact CD2-CD2 4.36Å; L682-S690 CarbonylContact C-O 3.56Å; L682-S690 PolarHBondContact N-O 3.16Å; L682-S690 CarbonylContact O-C 3.57Å; L682-S690 WeakPolarHBondContact O-CA 3.37Å; L682-S690 PolarHBondContact O-N 3.11Å; L682-I701 HydrophobicContact CD2-CD1 4.17Å; L682-I701 HydrophobicContact CD2-CG1 4.45Å; L682-I701 HydrophobicContact CD2-CG2 4.04Å
683N92Very high91.7Very high68 Ų6840.6 Ų40.636%0.36422%0.215SC..  trans-118.791.6173.4-172.727.1000109.6T421 D422 D689T421-N683 WeakPolarHBondContact CB-O 3.16Å; D422-N683 PolarHBondContact N-O 2.92Å; D422-N683 PolarHBondContact OD2-N 3.17Å; D422-N683 VanDerWaalsContact OD2-N 3.11Å; N683-D689 PolarHBondContact OD1-N 2.67Å
684S92.9Very high92.3Very high2 Ų237.9 Ų37.91%0.01420%0.2CC..  trans-120.6163.7-177.569.90000111.1D422 G686 Y687D422-S684 WeakPolarHBondContact O-CB 3.45Å; S684-G686 VanDerWaalsContact C-N 3.26Å; S684-G686 PolarHBondContact O-N 2.79Å; S684-Y687 PolarHBondContact N-O 3.06Å; S684-Y687 VanDerWaalsContact N-O 3.08Å; S684-Y687 CarbonylContact O-C 3.55Å; S684-Y687 PolarHBondContact O-N 3.06Å; S684-Y687 VanDerWaalsContact O-N 3.13Å; S684-Y687 WeakPolarHBondContact OG-CB 3.38Å; S684-Y687 PolarHBondContact OG-N 3.24Å; S684-Y687 VanDerWaalsContact OG-N 3.15Å
685D89.5Confident92.7Very high106 Ų10631.9 Ų31.957%0.56718%0.176SC*.SBendtrans-60.8-32.3-177.6-62-15.2000113.3T421T421-D685 WeakPolarHBondContact CB-OD1 3.5Å; T421-D685 PolarHBondContact OG1-OD1 3.37Å
686G89.4Confident92.8Very high16 Ų1634.2 Ų34.217%0.16519%0.19CC..SBendtrans-91.5-17175.400000114.9G440 S684G440-G686 VanDerWaalsContact C-CA 3.5Å; G440-G686 WeakPolarHBondContact O-CA 3.47Å; S684-G686 VanDerWaalsContact C-N 3.26Å; S684-G686 PolarHBondContact O-N 2.79Å
687Y91.1Very high92.6Very high14 Ų1437.1 Ų37.16%0.05521%0.211CC..SBendtrans-13574.6179.4-52-73.3000109.1H399 A400 E441 V443 L682 S684 I701H399-Y687 HydrophobicContact CB-CD1 4.17Å; H399-Y687 HydrophobicContact CB-CE1 4.11Å; A400-Y687 HydrophobicContact CB-CE1 4.08Å; A400-Y687 WeakPolarHBondContact CB-OH 3.37Å; E441-Y687 PolarHBondContact O-OH 2.86Å; V443-Y687 HydrophobicContact CG2-CE2 4.3Å; L682-Y687 HydrophobicContact CD2-CD2 4.36Å; S684-Y687 PolarHBondContact N-O 3.06Å; S684-Y687 VanDerWaalsContact N-O 3.08Å; S684-Y687 CarbonylContact O-C 3.55Å; S684-Y687 PolarHBondContact O-N 3.06Å; S684-Y687 VanDerWaalsContact O-N 3.13Å; S684-Y687 WeakPolarHBondContact OG-CB 3.38Å; S684-Y687 PolarHBondContact OG-N 3.24Å; S684-Y687 VanDerWaalsContact OG-N 3.15Å; Y687-I701 HydrophobicContact CD1-CB 4.47Å; Y687-I701 HydrophobicContact CD1-CG2 3.61Å; Y687-I701 HydrophobicContact CD2-CD1 4.11Å; Y687-I701 HydrophobicContact CD2-CG2 4.13Å; Y687-I701 HydrophobicContact CE1-CG2 4.11Å; Y687-I701 HydrophobicContact CE2-CD1 3.81Å; Y687-I701 HydrophobicContact CG-CG2 3.61Å
688P87.1Confident92.6Very high77 Ų7736.5 Ų36.550%0.521%0.208SC..THydrogen-bonded Turntrans-67.3145176.528.1-34.2000110.2S690P688-S690 PolarHBondContact O-N 3.34Å; P688-S690 PolarHBondContact O-OG 3.29Å
689D85.5Confident92.7Very high131 Ų13133.9 Ų33.970%0.70120%0.198SC*.THydrogen-bonded Turntrans44.937.4175.4-67.8-38.1000114.9N683N683-D689 PolarHBondContact OD1-N 2.67Å
690S91.9Very high92.6Very high4 Ų434.5 Ų34.53%0.02820%0.202CC..EExtended strand (participates in β ladder)trans-102.3168.1-172.3-68.70000112.3L682 P688L682-S690 CarbonylContact C-O 3.56Å; L682-S690 PolarHBondContact N-O 3.16Å; L682-S690 CarbonylContact O-C 3.57Å; L682-S690 WeakPolarHBondContact O-CA 3.37Å; L682-S690 PolarHBondContact O-N 3.11Å; P688-S690 PolarHBondContact O-N 3.34Å; P688-S690 PolarHBondContact O-OG 3.29Å
691L94.3Very high92.6Very high6 Ų634.4 Ų34.43%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-118.9136.8172.6-58.2177.8000109F641 F650 M679 L693 I701 G702 I704F641-L691 HydrophobicContact CB-CD2 3.88Å; F641-L691 HydrophobicContact CD2-CD2 4.04Å; F641-L691 HydrophobicContact CG-CD2 4.04Å; F650-L691 HydrophobicContact CD2-CD1 4.46Å; M679-L691 HydrophobicContact CE-CD2 4.16Å; L691-L693 HydrophobicContact CB-CD2 3.98Å; L691-L693 HydrophobicContact CB-CG 4.27Å; L691-I701 WeakPolarHBondContact O-CA 3.25Å; L691-G702 PolarHBondContact N-O 3.46Å; L691-G702 PolarHBondContact O-N 2.78Å; L691-I704 HydrophobicContact CD1-CB 4.18Å; L691-I704 HydrophobicContact CD1-CG2 4.35Å
692A96.2Very high92.4Very high0 Ų031.8 Ų31.80%018%0.184CC..EExtended strand (participates in β ladder)trans-97118.1165.400000108.6L425 M679 C680 L699L425-A692 HydrophobicContact CD1-CB 4.45Å; L425-A692 HydrophobicContact CD2-CB 4.36Å; M679-A692 CarbonylContact C-O 3.51Å; M679-A692 WeakPolarHBondContact CA-O 3.27Å; C680-A692 PolarHBondContact N-O 3.47Å; C680-A692 PolarHBondContact O-N 3.02Å; A692-L699 HydrophobicContact CB-CD1 4.28Å
693L95.8Very high92Very high4 Ų433.4 Ų33.42%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-116.4127-175-52.8177.9000109.1I396 F650 L673 V676 M679 L691 L699 T700I396-L693 HydrophobicContact CD1-CD1 4.5Å; I396-L693 HydrophobicContact CG1-CD1 4.42Å; I396-L693 HydrophobicContact CG2-CD1 4.26Å; F650-L693 HydrophobicContact CE2-CD2 4.5Å; F650-L693 HydrophobicContact CZ-CD2 4.32Å; L673-L693 HydrophobicContact CD1-CD1 3.5Å; V676-L693 HydrophobicContact CG1-CB 4.37Å; V676-L693 HydrophobicContact CG1-CD2 4.31Å; M679-L693 HydrophobicContact CB-CD2 3.56Å; L691-L693 HydrophobicContact CB-CD2 3.98Å; L691-L693 HydrophobicContact CB-CG 4.27Å; L693-L699 CarbonylContact O-C 3.59Å; L693-L699 WeakPolarHBondContact O-CA 3.46Å; L693-T700 PolarHBondContact N-O 3.24Å; L693-T700 PolarHBondContact O-N 3.1Å
694A95.6Very high91.6Very high1 Ų131.3 Ų31.31%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-115.5134.1174.100000111.7I407 L410 N677 Y678 T698 L699I407-A694 HydrophobicContact CB-CB 4.06Å; I407-A694 HydrophobicContact CD1-CB 3.71Å; I407-A694 HydrophobicContact CG1-CB 4.49Å; I407-A694 HydrophobicContact CG2-CB 3.91Å; L410-A694 HydrophobicContact CD1-CB 3.6Å; L410-A694 HydrophobicContact CG-CB 4.47Å; N677-A694 PolarHBondContact N-O 3.32Å; Y678-A694 PolarHBondContact N-O 2.91Å; Y678-A694 PolarHBondContact O-N 3.33Å; A694-T698 WeakPolarHBondContact CA-O 3.4Å; A694-L699 HydrophobicContact CB-CD1 4.41Å
695N92.6Very high90.6Very high40 Ų4032.6 Ų32.621%0.21419%0.189CC..  trans-108.9-160167.167.136.3000109.7E675 S697 T698E675-N695 WeakPolarHBondContact O-CB 3.31Å; N695-S697 VanDerWaalsContact C-N 3.28Å; N695-S697 PolarHBondContact O-N 2.92Å; N695-S697 PolarHBondContact OD1-N 3.45Å; N695-S697 PolarHBondContact OD1-OG 3.06Å; N695-T698 PolarHBondContact N-O 3.33Å; N695-T698 PolarHBondContact ND2-OG1 2.92Å; N695-T698 PolarHBondContact OD1-N 3.41Å; N695-T698 PolarHBondContact OD1-O 3.06Å; N695-T698 PolarHBondContact OD1-OG1 3.46Å
696N90.9Very high89.4Confident95 Ų9533.2 Ų33.251%0.50819%0.189SC..SBendtrans-69.3-22.2-180-70.7-46.2000114.5P405 G406 E675 N677P405-N696 WeakPolarHBondContact CA-O 3.06Å; G406-N696 PolarHBondContact N-O 2.85Å; E675-N696 VanDerWaalsContact CD-ND2 3.26Å; E675-N696 PolarHBondContact OE1-ND2 3.47Å; E675-N696 PolarHBondContact OE2-ND2 2.85Å; N677-N696 PolarHBondContact ND2-OD1 3.29Å
697S91.9Very high88Confident64 Ų6434.3 Ų34.345%0.44819%0.19SC..SBendtrans-121-34.5-17144.40000114.8L404 N695L404-S697 CarbonylContact C-O 3.59Å; L404-S697 VanDerWaalsContact C-O 3.3Å; L404-S697 PolarHBondContact N-O 3.24Å; N695-S697 VanDerWaalsContact C-N 3.28Å; N695-S697 PolarHBondContact O-N 2.92Å; N695-S697 PolarHBondContact OD1-N 3.45Å; N695-S697 PolarHBondContact OD1-OG 3.06Å
698T94.2Very high86.5Confident20 Ų2038 Ų3812%0.12321%0.208CC..  trans-131.7150.5-167.364.80000111.9I402 D403 A694 N695I402-T698 CarbonylContact O-C 3.47Å; I402-T698 WeakPolarHBondContact O-CA 3.38Å; D403-T698 WeakPolarHBondContact OD1-CG2 3.39Å; A694-T698 WeakPolarHBondContact CA-O 3.4Å; N695-T698 PolarHBondContact N-O 3.33Å; N695-T698 PolarHBondContact ND2-OG1 2.92Å; N695-T698 PolarHBondContact OD1-N 3.41Å; N695-T698 PolarHBondContact OD1-O 3.06Å; N695-T698 PolarHBondContact OD1-OG1 3.46Å
699L95.3Very high85.5Confident1 Ų139.2 Ų39.21%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-104.5115.8163.6172.765.1000107.6S401 I402 L404 I407 L410 L425 L427 L436 A692 L693 A694S401-L699 CarbonylContact C-O 3.59Å; S401-L699 WeakPolarHBondContact CA-O 3.48Å; I402-L699 HydrophobicContact CB-CB 4.44Å; I402-L699 HydrophobicContact CD1-CD2 4.42Å; I402-L699 PolarHBondContact N-O 3.18Å; I402-L699 PolarHBondContact O-N 2.89Å; L404-L699 HydrophobicContact CB-CB 4.47Å; L404-L699 HydrophobicContact CD1-CB 4.41Å; L404-L699 HydrophobicContact CD1-CD2 4.1Å; I407-L699 HydrophobicContact CD1-CB 4Å; L410-L699 HydrophobicContact CD1-CD1 4.25Å; L410-L699 HydrophobicContact CD2-CD1 3.82Å; L425-L699 HydrophobicContact CD2-CD2 3.9Å; L427-L699 HydrophobicContact CD2-CD2 4.11Å; L436-L699 HydrophobicContact CD1-CD2 4.31Å; A692-L699 HydrophobicContact CB-CD1 4.28Å; L693-L699 CarbonylContact O-C 3.59Å; L693-L699 WeakPolarHBondContact O-CA 3.46Å; A694-L699 HydrophobicContact CB-CD1 4.41Å
700T94.4Very high85.1Confident15 Ų1533.2 Ų33.29%0.09217%0.173CC..EExtended strand (participates in β ladder)trans-108.9130179.6-57.60000109.5E398 A400 L693E398-T700 HydrophobicContact CB-CG2 4.21Å; E398-T700 HydrophobicContact CG-CG2 3.72Å; A400-T700 CarbonylContact O-C 3.6Å; A400-T700 WeakPolarHBondContact O-CA 3.14Å; L693-T700 PolarHBondContact N-O 3.24Å; L693-T700 PolarHBondContact O-N 3.1Å
701I94.2Very high84.6Confident1 Ų134.5 Ų34.51%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-105.7125.8170.6-56.6173.6000107.4H399 A400 L682 Y687 L691H399-I701 PolarHBondContact N-O 3.43Å; A400-I701 HydrophobicContact CB-CB 4.32Å; A400-I701 PolarHBondContact N-O 2.81Å; A400-I701 PolarHBondContact O-N 3.02Å; L682-I701 HydrophobicContact CD2-CD1 4.17Å; L682-I701 HydrophobicContact CD2-CG1 4.45Å; L682-I701 HydrophobicContact CD2-CG2 4.04Å; Y687-I701 HydrophobicContact CD1-CB 4.47Å; Y687-I701 HydrophobicContact CD1-CG2 3.61Å; Y687-I701 HydrophobicContact CD2-CD1 4.11Å; Y687-I701 HydrophobicContact CD2-CG2 4.13Å; Y687-I701 HydrophobicContact CE1-CG2 4.11Å; Y687-I701 HydrophobicContact CE2-CD1 3.81Å; Y687-I701 HydrophobicContact CG-CG2 3.61Å; L691-I701 WeakPolarHBondContact O-CA 3.25Å
702G90.8Very high84.3Confident0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-159.8159.5-176.700000113.5H397 L691H397-G702 CarbonylContact O-C 3.54Å; H397-G702 WeakPolarHBondContact O-CA 3.2Å; L691-G702 PolarHBondContact N-O 3.46Å; L691-G702 PolarHBondContact O-N 2.78Å
703T86.3Confident83.9Confident36 Ų3641.2 Ų41.222%0.22121%0.206CC..EExtended strand (participates in β ladder)trans-92.4145.4171.647.80000110I396 H397 H399I396-T703 WeakPolarHBondContact CA-O 3.21Å; H397-T703 PolarHBondContact N-O 2.98Å; H397-T703 PolarHBondContact O-N 2.65Å; H399-T703 VanDerWaalsContact NE2-CG2 3.31Å; H399-T703 WeakPolarHBondContact NE2-CG2 3.41Å; H399-T703 PolarHBondContact NE2-OG1 2.82Å
704I83.1Confident83.9Confident24 Ų2443.6 Ų43.612%0.12322%0.221CC..EExtended strand (participates in β ladder)trans-88.5138.3174.1-171.4162.2000110.4I394 I396 F641 V658 L691I394-I704 HydrophobicContact CG2-CD1 3.95Å; I394-I704 HydrophobicContact CG2-CG1 3.63Å; I396-I704 HydrophobicContact CD1-CB 3.74Å; I396-I704 HydrophobicContact CD1-CD1 4.09Å; I396-I704 HydrophobicContact CD1-CG1 3.72Å; F641-I704 HydrophobicContact CE2-CD1 4.41Å; F641-I704 HydrophobicContact CE2-CG2 4.06Å; F641-I704 HydrophobicContact CZ-CD1 4.1Å; V658-I704 HydrophobicContact CG2-CD1 3.71Å; L691-I704 HydrophobicContact CD1-CB 4.18Å; L691-I704 HydrophobicContact CD1-CG2 4.35Å
705D72.3Confident83.9Confident29 Ų2944.3 Ų44.316%0.15523%0.225CC..PPolyproline II helixtrans-65.7166.9175.8-63.1-1.4000110.9I394 G395 H397 I707 H711I394-D705 HydrophobicContact CG2-CB 4.36Å; G395-D705 WeakPolarHBondContact CA-OD2 3.48Å; G395-D705 PolarHBondContact N-OD2 3.37Å; G395-D705 PolarHBondContact O-N 2.91Å; G395-D705 VanDerWaalsContact O-N 3.09Å; H397-D705 IonicContact CD2-OD1 2.94Å; H397-D705 PolarHBondContact CD2-OD1 3.41Å; H397-D705 IonicContact CE1-OD1 3.74Å; H397-D705 IonicContact CG-OD1 2.67Å; H397-D705 IonicContact NE2-OD1 2.71Å; H397-D705 PolarHBondContact NE2-OD1 3.09Å; H397-D705 VanDerWaalsContact NE2-OD1 3.12Å; D705-I707 PolarHBondContact O-N 2.76Å; D705-H711 IonicContact OD2-CD2 3.62Å; D705-H711 PolarHBondContact OD2-CD2 3.39Å; D705-H711 IonicContact OD2-NE2 3.81Å
706E65Low84.1Confident119 Ų11945.5 Ų45.556%0.55624%0.235SC*.PPolyproline II helixtrans-51.6138.4166.3-72.4-168.216700110.3Q708E706-Q708 HydrophobicContact CB-CG 4.1Å; E706-Q708 PolarHBondContact O-N 2.88Å; E706-Q708 PolarHBondContact OE2-NE2 3.43Å
707I59.1Low84.4Confident40 Ų4041 Ų4121%0.20521%0.211CC..  trans-73.278.3-178.4-56.1179.7000108.7I394 N648 V658 Y660 D705I394-I707 HydrophobicContact CD1-CB 4.46Å; I394-I707 HydrophobicContact CD1-CG1 4.42Å; I394-I707 HydrophobicContact CD1-CG2 3.87Å; N648-I707 WeakPolarHBondContact ND2-CD1 3.32Å; V658-I707 HydrophobicContact CG1-CD1 4.1Å; Y660-I707 HydrophobicContact CD1-CG2 3.42Å; Y660-I707 VanDerWaalsContact CD1-CG2 3.42Å; Y660-I707 HydrophobicContact CD2-CG2 3.84Å; Y660-I707 HydrophobicContact CE1-CG2 3.18Å; Y660-I707 HydrophobicContact CE2-CG2 3.61Å; Y660-I707 HydrophobicContact CG-CD1 4.23Å; Y660-I707 HydrophobicContact CG-CG2 3.74Å; D705-I707 PolarHBondContact O-N 2.76Å
708Q59Low84.7Confident90 Ų9043.5 Ų43.542%0.42121%0.211SC..  trans-108.7154.2174.6-59.5-170.27.900110.1E706 L710E706-Q708 HydrophobicContact CB-CG 4.1Å; E706-Q708 PolarHBondContact O-N 2.88Å; E706-Q708 PolarHBondContact OE2-NE2 3.43Å; Q708-L710 VanDerWaalsContact C-N 3.34Å
709K67Low84.8Confident103 Ų10342.7 Ų42.745%0.44821%0.206SC..SBendtrans-64.5-38.8178.4-72.3-172.3178.8-174.70112.2N392 G393N392-K709 PolarHBondContact OD1-O 2.78Å; N392-K709 VanDerWaalsContact OD1-O 3.12Å; G393-K709 PolarHBondContact N-O 2.96Å
710L77Confident85Confident6 Ų643.2 Ų43.23%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-114.7132.2-176.8-61.6176.9000109.7Q10 I390 R391 N392 Q708 L1012Q10-L710 HydrophobicContact CB-CD1 3.96Å; I390-L710 HydrophobicContact CG2-CB 4.29Å; I390-L710 HydrophobicContact CG2-CD1 4.16Å; R391-L710 CarbonylContact O-C 3.55Å; R391-L710 WeakPolarHBondContact O-CA 3.3Å; N392-L710 HydrophobicContact CB-CD2 4.17Å; Q708-L710 VanDerWaalsContact C-N 3.34Å; L710-L1012 HydrophobicContact CD2-CD1 4.28Å
711H81.3Confident85.2Confident31 Ų3142.6 Ų42.614%0.14421%0.206CC..EExtended strand (participates in β ladder)trans-94.4127.5168.9166.8-75.4000109.7R391 G393 D705R391-H711 HydrophobicContact CG-CB 3.81Å; R391-H711 PolarHBondContact N-O 3.12Å; R391-H711 PolarHBondContact NE-CE1 3.21Å; R391-H711 VanDerWaalsContact NE-CG 3.33Å; R391-H711 PolarHBondContact NE-ND1 3.09Å; R391-H711 PolarHBondContact NH2-CE1 3.21Å; R391-H711 PolarHBondContact NH2-ND1 3.34Å; R391-H711 PolarHBondContact NH2-NE2 3.19Å; R391-H711 PolarHBondContact O-N 3.39Å; G393-H711 WeakPolarHBondContact O-CB 3.48Å; G393-H711 PolarHBondContact O-N 3.17Å; D705-H711 IonicContact OD2-CD2 3.62Å; D705-H711 PolarHBondContact OD2-CD2 3.39Å; D705-H711 IonicContact OD2-NE2 3.81Å
712I88.1Confident85.3Confident32 Ų3247.9 Ų47.916%0.16423%0.226CC..EExtended strand (participates in β ladder)trans-117.3118.6-177.2-58166.5000108.9T354 L356 R388 I389 I390T354-I712 HydrophobicContact CG2-CB 4.36Å; T354-I712 HydrophobicContact CG2-CD1 3.97Å; T354-I712 HydrophobicContact CG2-CG2 3.93Å; L356-I712 HydrophobicContact CD1-CD1 4.26Å; L356-I712 HydrophobicContact CD2-CD1 4.15Å; L356-I712 HydrophobicContact CD2-CG2 3.86Å; L356-I712 HydrophobicContact CG-CD1 4.42Å; R388-I712 HydrophobicContact CB-CG2 4.22Å; I389-I712 WeakPolarHBondContact O-CA 3.14Å; I390-I712 HydrophobicContact CG1-CG1 4.28Å; I390-I712 HydrophobicContact CG1-CG2 4.42Å; I390-I712 HydrophobicContact CG2-CG1 4.37Å
713R89Confident85.7Confident114 Ų11450.6 Ų50.643%0.4324%0.238SC..EExtended strand (participates in β ladder)trans-101.4132.2169.9176.4-177.1176.5-164.4-2.7109.9R388 I389R388-R713 WeakPolarHBondContact CA-O 3.4Å; I389-R713 HydrophobicContact CB-CB 4.26Å; I389-R713 HydrophobicContact CD1-CB 4.46Å; I389-R713 HydrophobicContact CD1-CG 4.37Å; I389-R713 WeakPolarHBondContact CD1-O 3.31Å; I389-R713 PolarHBondContact N-O 3.15Å; I389-R713 PolarHBondContact O-N 2.86Å
714T94Very high86.3Confident54 Ų5449.3 Ų49.333%0.33123%0.23SC..EExtended strand (participates in β ladder)trans-97.4131.4177.5-51.90000110.8R388R388-T714 PolarHBondContact NH1-OG1 3.02Å
715V96.4Very high87Confident17 Ų1748.9 Ų48.910%0.10323%0.228CC..EExtended strand (participates in β ladder)trans-117103.3167.2175.50000107.3S386 L387 I389 F799S386-V715 CarbonylContact C-O 3.57Å; S386-V715 VanDerWaalsContact CA-O 3.28Å; S386-V715 WeakPolarHBondContact CA-O 3.39Å; S386-V715 WeakPolarHBondContact CB-O 3.41Å; L387-V715 HydrophobicContact CB-CB 4.25Å; L387-V715 PolarHBondContact N-O 3.12Å; L387-V715 PolarHBondContact O-N 3.03Å; I389-V715 HydrophobicContact CD1-CB 4.35Å; I389-V715 HydrophobicContact CD1-CG2 3.5Å; I389-V715 VanDerWaalsContact CD1-CG2 3.5Å; V715-F799 HydrophobicContact CB-CB 4.44Å; V715-F799 HydrophobicContact CG1-CB 3.9Å; V715-F799 HydrophobicContact CG2-CB 3.74Å; V715-F799 HydrophobicContact CG2-CD1 4.17Å; V715-F799 HydrophobicContact CG2-CD2 4.33Å; V715-F799 HydrophobicContact CG2-CG 3.83Å
716P97Very high88.1Confident64 Ų6450 Ų5042%0.41623%0.231SC..EExtended strand (participates in β ladder)trans-69.7136-178.529.4-33.9000110.6Y718P716-Y718 HydrophobicContact CB-CD2 4.33Å; P716-Y718 HydrophobicContact CB-CE1 4.04Å; P716-Y718 HydrophobicContact CB-CE2 3.8Å; P716-Y718 HydrophobicContact CG-CE2 4.04Å
717L97.9Very high89.6Confident2 Ų244.6 Ų44.61%0.0121%0.205CC..  trans-106.3-24172.1-59.9178.8000111.9G385 L387 E719 P721 A756 I794G385-L717 WeakPolarHBondContact O-CA 3.5Å; G385-L717 WeakPolarHBondContact O-CB 3.48Å; G385-L717 PolarHBondContact O-N 3.02Å; L387-L717 HydrophobicContact CD2-CD1 4.1Å; L387-L717 HydrophobicContact CG-CD1 4Å; L387-L717 HydrophobicContact CG-CD2 4.46Å; L387-L717 HydrophobicContact CG-CG 4.37Å; L717-E719 HydrophobicContact CB-CG 4.15Å; L717-E719 PolarHBondContact O-N 3.14Å; L717-E719 VanDerWaalsContact O-N 3.14Å; L717-P721 HydrophobicContact CD1-CB 3.87Å; L717-P721 HydrophobicContact CD1-CG 4.3Å; L717-A756 HydrophobicContact CB-CB 3.93Å; L717-A756 HydrophobicContact CD2-CB 3.72Å; L717-A756 HydrophobicContact CG-CB 4.41Å; L717-A756 WeakPolarHBondContact O-CB 3.24Å; L717-A756 PolarHBondContact O-N 3.2Å; L717-I794 HydrophobicContact CD2-CD1 4.31Å
718Y96.9Very high91.2Very high116 Ų11647.7 Ų47.746%0.45522%0.219SC..SBendtrans56.922.2-174.3-51.4-70.5000114F382 K383 G385 P716F382-Y718 CarbonylContact O-C 3.5Å; K383-Y718 WeakPolarHBondContact O-CA 3.32Å; K383-Y718 WeakPolarHBondContact O-CD1 3.32Å; G385-Y718 PolarHBondContact O-N 3.43Å; G385-Y718 VanDerWaalsContact O-N 3.11Å; P716-Y718 HydrophobicContact CB-CD2 4.33Å; P716-Y718 HydrophobicContact CB-CE1 4.04Å; P716-Y718 HydrophobicContact CB-CE2 3.8Å; P716-Y718 HydrophobicContact CG-CE2 4.04Å
719E97.6Very high92.9Very high2 Ų248.6 Ų48.61%0.00923%0.231CC..SBendtrans-152.8155.7173.662.3-177.4-161.300108.9F382 G385 L717 P721 S737 S738 R739 S755 A756 S757F382-E719 CarbonylContact O-C 3.59Å; F382-E719 VanDerWaalsContact O-C 3.29Å; F382-E719 WeakPolarHBondContact O-CA 3.38Å; F382-E719 PolarHBondContact O-N 2.74Å; G385-E719 WeakPolarHBondContact CA-O 3.42Å; L717-E719 HydrophobicContact CB-CG 4.15Å; L717-E719 PolarHBondContact O-N 3.14Å; L717-E719 VanDerWaalsContact O-N 3.14Å; E719-P721 WeakPolarHBondContact O-CD 3.49Å; E719-S737 WeakPolarHBondContact OE1-CB 3.42Å; E719-S737 PolarHBondContact OE1-OG 2.8Å; E719-S738 WeakPolarHBondContact CB-O 3.18Å; E719-R739 HydrophobicContact CB-CB 3.97Å; E719-S755 WeakPolarHBondContact OE2-CB 3.23Å; E719-S755 PolarHBondContact OE2-OG 3.24Å; E719-A756 HydrophobicContact CG-CB 4.39Å; E719-S757 WeakPolarHBondContact OE1-CB 3.46Å; E719-S757 PolarHBondContact OE1-N 2.79Å; E719-S757 VanDerWaalsContact OE1-N 3.17Å; E719-S757 WeakPolarHBondContact OE2-CB 3.38Å; E719-S757 PolarHBondContact OE2-N 2.89Å; E719-S757 PolarHBondContact OE2-OG 3Å
720S98Very high94.2Very high13 Ų1345 Ų459%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-69.5109.2-172.2-58.70000111.6F382 S737 S738F382-S720 PolarHBondContact N-OG 3.39Å; S720-S737 CarbonylContact O-C 3.59Å; S720-S737 WeakPolarHBondContact O-CA 3.39Å; S720-S738 PolarHBondContact N-O 3.06Å; S720-S738 PolarHBondContact O-N 3.07Å
721P98.4Very high95Very high1 Ų147.9 Ų47.91%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-69.1153.1168.132.9-35.8000110V360 C378 S379 L387 L717 E719 V735 L736V360-P721 VanDerWaalsContact CG2-O 3.3Å; V360-P721 WeakPolarHBondContact CG2-O 3.41Å; C378-P721 HydrophobicContact CB-CB 3.7Å; C378-P721 HydrophobicContact CB-CG 3.89Å; S379-P721 WeakPolarHBondContact O-CG 3.41Å; L387-P721 HydrophobicContact CD2-CB 4.48Å; L717-P721 HydrophobicContact CD1-CB 3.87Å; L717-P721 HydrophobicContact CD1-CG 4.3Å; E719-P721 WeakPolarHBondContact O-CD 3.49Å; P721-V735 HydrophobicContact CB-CG1 4.26Å; P721-L736 CarbonylContact C-O 3.43Å
722R97.8Very high95.8Very high112 Ų11246.5 Ų46.542%0.42323%0.226SC..EExtended strand (participates in β ladder)trans-133.3-45.5-172.6-59.9-63.4-68.9179.4-7.3113.5L736R722-L736 HydrophobicContact CB-CB 4.26Å; R722-L736 PolarHBondContact N-O 3.05Å
723K98.3Very high96.3Very high58 Ų5845 Ų4525%0.25222%0.218SC..EExtended strand (participates in β ladder)trans-143148.2178.8-65.7-64.2175.4-165.20111.1D361 V735 L736 L816D361-K723 HydrophobicContact CB-CD 4.2Å; D361-K723 WeakPolarHBondContact OD2-CA 3.21Å; D361-K723 WeakPolarHBondContact OD2-CD 3.39Å; K723-V735 CarbonylContact O-C 3.57Å; K723-V735 VanDerWaalsContact O-CA 3.27Å; K723-V735 WeakPolarHBondContact O-CA 3.39Å; K723-L736 HydrophobicContact CB-CB 4.13Å; K723-L736 HydrophobicContact CB-CD1 4.01Å; K723-L736 HydrophobicContact CB-CG 4.13Å; K723-L736 HydrophobicContact CG-CD1 4.19Å; K723-L736 PolarHBondContact N-O 3.1Å; K723-L736 PolarHBondContact O-N 3.06Å; K723-L816 HydrophobicContact CB-CB 3.95Å
724I98.4Very high96.7Very high9 Ų939.6 Ų39.65%0.04620%0.198CC..EExtended strand (participates in β ladder)trans-136.3140.8177.6-173.2164.2000111.6D361 C363 V376 L387 F733 G734 V735D361-I724 HydrophobicContact CB-CG2 4.31Å; D361-I724 PolarHBondContact OD2-N 3.36Å; C363-I724 HydrophobicContact CB-CG2 4.38Å; V376-I724 HydrophobicContact CB-CD1 4.27Å; V376-I724 HydrophobicContact CG1-CD1 3.63Å; L387-I724 HydrophobicContact CD2-CD1 4.31Å; I724-F733 HydrophobicContact CD1-CB 4.48Å; I724-F733 HydrophobicContact CD1-CD1 3.9Å; I724-F733 HydrophobicContact CD1-CG 4.4Å; I724-F733 HydrophobicContact CG1-CD1 4.17Å; I724-G734 WeakPolarHBondContact CA-O 3.28Å; I724-V735 HydrophobicContact CB-CG2 4.31Å; I724-V735 HydrophobicContact CD1-CG2 3.92Å; I724-V735 HydrophobicContact CG1-CG2 3.88Å
725C97.8Very high97Very high15 Ų1537 Ų3710%0.10118%0.182CC..EExtended strand (participates in β ladder)trans-141152.4164.268.30000110.3F733 G734 L816 S818C725-F733 CarbonylContact O-C 3.56Å; C725-F733 WeakPolarHBondContact O-CA 3.38Å; C725-G734 PolarHBondContact N-O 3.13Å; C725-G734 PolarHBondContact O-N 3.26Å; C725-L816 HydrophobicContact CB-CD2 4.43Å; C725-L816 HydrophobicContact CB-CG 4.4Å; C725-L816 VanDerWaalsContact SG-CG 3.56Å; C725-S818 VanDerWaalsContact SG-CB 3.59Å
726Y97.2Very high97.1Very high52 Ų5236.2 Ų36.220%0.20418%0.177CC..EExtended strand (participates in β ladder)trans-101.2137.8175.2174.3-121.1000110.3V365 L367 E728 Q731 C732 F733 Q796V365-Y726 HydrophobicContact CB-CD1 4.44Å; V365-Y726 HydrophobicContact CG1-CD1 3.63Å; V365-Y726 HydrophobicContact CG1-CD2 4.3Å; V365-Y726 HydrophobicContact CG1-CE1 4.35Å; V365-Y726 HydrophobicContact CG1-CG 3.59Å; L367-Y726 HydrophobicContact CD2-CE2 4.19Å; Y726-E728 HydrophobicContact CE1-CB 3.78Å; Y726-E728 HydrophobicContact CE1-CG 4.19Å; Y726-Q731 PolarHBondContact OH-NE2 3.25Å; Y726-C732 WeakPolarHBondContact CD2-O 3.29Å; Y726-F733 HydrophobicContact CD2-CD1 4.05Å; Y726-F733 AromaticContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CG 4.5Å; Y726-F733 HydrophobicContact CD2-CZ 4.18Å; Y726-F733 HydrophobicContact CG-CD1 4.44Å; Y726-F733 HydrophobicContact CG-CE1 4.19Å; Y726-Q796 HydrophobicContact CE2-CB 4.42Å; Y726-Q796 PolarHBondContact OH-OE1 2.89Å
727Q96.3Very high97.1Very high5 Ų533.1 Ų33.12%0.02316%0.157CC..EExtended strand (participates in β ladder)trans-118.8100.8173.4-174.8171.3104.900109.7V729 S730 Q731 C732 S818 T827 F829Q727-V729 VanDerWaalsContact C-N 3.33Å; Q727-V729 PolarHBondContact O-N 2.87Å; Q727-S730 WeakPolarHBondContact CB-OG 3.3Å; Q727-S730 WeakPolarHBondContact CG-OG 3.49Å; Q727-S730 PolarHBondContact O-N 2.82Å; Q727-S730 PolarHBondContact O-OG 3.45Å; Q727-S730 PolarHBondContact OE1-OG 3.24Å; Q727-S730 VanDerWaalsContact OE1-OG 3.08Å; Q727-Q731 PolarHBondContact O-N 3.33Å; Q727-C732 PolarHBondContact N-O 2.93Å; Q727-C732 PolarHBondContact O-N 3.02Å; Q727-S818 VanDerWaalsContact CB-OG 3.31Å; Q727-S818 WeakPolarHBondContact CB-OG 3.43Å; Q727-S818 WeakPolarHBondContact CG-OG 3.5Å; Q727-S818 PolarHBondContact NE2-OG 3.43Å; Q727-T827 HydrophobicContact CG-CG2 3.93Å; Q727-F829 HydrophobicContact CB-CE1 3.79Å; Q727-F829 HydrophobicContact CB-CE2 4.18Å; Q727-F829 HydrophobicContact CB-CZ 3.42Å; Q727-F829 VanDerWaalsContact CB-CZ 3.42Å; Q727-F829 HydrophobicContact CG-CZ 4.21Å
728E92.2Very high97.1Very high105 Ų10533.2 Ų33.249%0.49116%0.158SC..G310 helixtrans-60.8-39.9-176.1-170.2-177.7-177.900112.6R369 Y726 S730 Q731R369-E728 IonicContact CZ-OE1 3.12Å; R369-E728 IonicContact NH2-OE1 3.03Å; R369-E728 PolarHBondContact NH2-OE1 3.46Å; Y726-E728 HydrophobicContact CE1-CB 3.78Å; Y726-E728 HydrophobicContact CE1-CG 4.19Å; E728-S730 VanDerWaalsContact C-N 3.26Å; E728-S730 PolarHBondContact O-N 3.44Å; E728-Q731 PolarHBondContact O-N 2.84Å; E728-Q731 PolarHBondContact O-NE2 3.33Å
729V93.6Very high97.1Very high110 Ų11028.6 Ų28.667%0.66714%0.139SC*.G310 helixtrans-61.6-35.9-176.3-179.60000112.3Q727Q727-V729 VanDerWaalsContact C-N 3.33Å; Q727-V729 PolarHBondContact O-N 2.87Å
730S94.9Very high96.8Very high28 Ų2830.3 Ų30.320%0.19615%0.148CC..G310 helixtrans-93.5-4.8176.862.80000113.4Q727 E728 C732Q727-S730 WeakPolarHBondContact CB-OG 3.3Å; Q727-S730 WeakPolarHBondContact CG-OG 3.49Å; Q727-S730 PolarHBondContact O-N 2.82Å; Q727-S730 PolarHBondContact O-OG 3.45Å; Q727-S730 PolarHBondContact OE1-OG 3.24Å; Q727-S730 VanDerWaalsContact OE1-OG 3.08Å; E728-S730 VanDerWaalsContact C-N 3.26Å; E728-S730 PolarHBondContact O-N 3.44Å; S730-C732 PolarHBondContact O-N 3.26Å; S730-C732 PolarHBondContact O-SG 2.84Å
731Q94.8Very high96.5Very high65 Ų6530.4 Ų30.430%0.30415%0.147SC..THydrogen-bonded Turntrans52.541.1-174.2-59.6-74.2-84.200111.9Y726 Q727 E728 Q796Y726-Q731 PolarHBondContact OH-NE2 3.25Å; Q727-Q731 PolarHBondContact O-N 3.33Å; E728-Q731 PolarHBondContact O-N 2.84Å; E728-Q731 PolarHBondContact O-NE2 3.33Å; Q731-Q796 VanDerWaalsContact CA-OE1 3.23Å; Q731-Q796 HydrophobicContact CB-CG 4.12Å; Q731-Q796 VanDerWaalsContact CD-OE1 3.29Å; Q731-Q796 WeakPolarHBondContact O-CB 3.3Å; Q731-Q796 WeakPolarHBondContact O-CG 3.21Å; Q731-Q796 PolarHBondContact O-N 3.37Å; Q731-Q796 VanDerWaalsContact OE1-CD 3.31Å
732C97Very high96Very high3 Ų331.9 Ų31.92%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-134.5153.5-174.9-65.60000111.5Y726 Q727 S730 I793 I794Y726-C732 WeakPolarHBondContact CD2-O 3.29Å; Q727-C732 PolarHBondContact N-O 2.93Å; Q727-C732 PolarHBondContact O-N 3.02Å; S730-C732 PolarHBondContact O-N 3.26Å; S730-C732 PolarHBondContact O-SG 2.84Å; C732-I793 HydrophobicContact CB-CG2 3.86Å; C732-I794 CarbonylContact C-O 3.55Å; C732-I794 WeakPolarHBondContact CA-O 3.35Å; C732-I794 WeakPolarHBondContact CB-O 3.31Å
733F98.4Very high95.2Very high0 Ų027.4 Ų27.40%014%0.14CC..EExtended strand (participates in β ladder)trans-93.1138163.4-62.5-83.6000110.3V365 L367 V376 I724 C725 Y726 V735 I793 I794 Q796 F799V365-F733 HydrophobicContact CG1-CE1 3.85Å; V365-F733 HydrophobicContact CG1-CZ 4.29Å; V365-F733 HydrophobicContact CG2-CE1 4.33Å; V365-F733 HydrophobicContact CG2-CZ 4.08Å; L367-F733 HydrophobicContact CD2-CZ 4.29Å; V376-F733 HydrophobicContact CB-CE1 4.43Å; V376-F733 HydrophobicContact CG2-CE1 4.09Å; V376-F733 HydrophobicContact CG2-CZ 3.93Å; I724-F733 HydrophobicContact CD1-CB 4.48Å; I724-F733 HydrophobicContact CD1-CD1 3.9Å; I724-F733 HydrophobicContact CD1-CG 4.4Å; I724-F733 HydrophobicContact CG1-CD1 4.17Å; C725-F733 CarbonylContact O-C 3.56Å; C725-F733 WeakPolarHBondContact O-CA 3.38Å; Y726-F733 HydrophobicContact CD2-CD1 4.05Å; Y726-F733 AromaticContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CG 4.5Å; Y726-F733 HydrophobicContact CD2-CZ 4.18Å; Y726-F733 HydrophobicContact CG-CD1 4.44Å; Y726-F733 HydrophobicContact CG-CE1 4.19Å; F733-V735 HydrophobicContact CB-CG2 4.37Å; F733-I793 WeakPolarHBondContact O-CA 3.32Å; F733-I794 HydrophobicContact CB-CB 4.33Å; F733-I794 PolarHBondContact N-O 2.86Å; F733-I794 PolarHBondContact O-N 3.46Å; F733-Q796 HydrophobicContact CD2-CB 4.39Å; F733-Q796 HydrophobicContact CE2-CB 3.93Å; F733-F799 HydrophobicContact CD2-CE1 4.18Å; F733-F799 AromaticContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CZ 4.1Å; F733-F799 HydrophobicContact CZ-CE1 4.43Å
734G98.5Very high94.3Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-95.5126.5160.900000108.5I724 C725 L792 L816I724-G734 WeakPolarHBondContact CA-O 3.28Å; C725-G734 PolarHBondContact N-O 3.13Å; C725-G734 PolarHBondContact O-N 3.26Å; G734-L792 CarbonylContact C-O 3.49Å; G734-L792 WeakPolarHBondContact CA-O 3.23Å; G734-L816 WeakPolarHBondContact O-CD2 3.19Å
735V98.8Very high93.1Very high0 Ų033.2 Ų33.20%018%0.179CC..EExtended strand (participates in β ladder)trans-127.3125.3178.6178.30000109.7L387 P721 K723 I724 F733 L792 I794L387-V735 HydrophobicContact CD1-CG2 4.21Å; L387-V735 HydrophobicContact CD2-CG1 4.42Å; L387-V735 HydrophobicContact CD2-CG2 4.32Å; P721-V735 HydrophobicContact CB-CG1 4.26Å; K723-V735 CarbonylContact O-C 3.57Å; K723-V735 VanDerWaalsContact O-CA 3.27Å; K723-V735 WeakPolarHBondContact O-CA 3.39Å; I724-V735 HydrophobicContact CB-CG2 4.31Å; I724-V735 HydrophobicContact CD1-CG2 3.92Å; I724-V735 HydrophobicContact CG1-CG2 3.88Å; F733-V735 HydrophobicContact CB-CG2 4.37Å; V735-L792 HydrophobicContact CB-CB 4.28Å; V735-L792 PolarHBondContact N-O 2.86Å; V735-L792 PolarHBondContact O-N 2.81Å; V735-I794 HydrophobicContact CB-CD1 4.23Å; V735-I794 HydrophobicContact CG2-CD1 3.88Å
736L98.8Very high92.1Very high0 Ų037.4 Ų37.40%021%0.208CC..EExtended strand (participates in β ladder)trans-82131.9165.1-61-175.9000109P721 R722 K723 N790 L791 F807 A813 L816 V831P721-L736 CarbonylContact C-O 3.43Å; R722-L736 HydrophobicContact CB-CB 4.26Å; R722-L736 PolarHBondContact N-O 3.05Å; K723-L736 HydrophobicContact CB-CB 4.13Å; K723-L736 HydrophobicContact CB-CD1 4.01Å; K723-L736 HydrophobicContact CB-CG 4.13Å; K723-L736 HydrophobicContact CG-CD1 4.19Å; K723-L736 PolarHBondContact N-O 3.1Å; K723-L736 PolarHBondContact O-N 3.06Å; L736-N790 VanDerWaalsContact CA-O 3.31Å; L736-N790 WeakPolarHBondContact CA-O 3.36Å; L736-L791 HydrophobicContact CD2-CB 4.03Å; L736-L791 HydrophobicContact CD2-CD1 3.98Å; L736-F807 HydrophobicContact CD2-CE2 4.4Å; L736-A813 HydrophobicContact CD1-CB 3.82Å; L736-A813 HydrophobicContact CD2-CB 3.99Å; L736-A813 HydrophobicContact CG-CB 4.36Å; L736-L816 HydrophobicContact CD1-CB 3.85Å; L736-L816 HydrophobicContact CG-CB 3.93Å; L736-L816 HydrophobicContact CG-CD2 4.14Å; L736-L816 HydrophobicContact CG-CG 4.49Å; L736-V831 HydrophobicContact CD1-CG1 4.22Å; L736-V831 HydrophobicContact CD2-CG1 3.97Å; L736-V831 HydrophobicContact CD2-CG2 4.06Å
737S98.3Very high90.8Very high0 Ų037.1 Ų37.10%022%0.222CC..EExtended strand (participates in β ladder)trans-133.2161.3175.564.80000111.6E719 S720 H789 N790E719-S737 WeakPolarHBondContact OE1-CB 3.42Å; E719-S737 PolarHBondContact OE1-OG 2.8Å; S720-S737 CarbonylContact O-C 3.59Å; S720-S737 WeakPolarHBondContact O-CA 3.39Å; S737-H789 CarbonylContact O-C 3.48Å; S737-H789 WeakPolarHBondContact O-CA 3.33Å; S737-N790 PolarHBondContact N-O 2.95Å; S737-N790 PolarHBondContact O-N 3.26Å
738S97.6Very high90.1Very high3 Ų338.4 Ų38.42%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-132.1140.4167.864.50000112E719 S720 E787 V788E719-S738 WeakPolarHBondContact CB-O 3.18Å; S720-S738 PolarHBondContact N-O 3.06Å; S720-S738 PolarHBondContact O-N 3.07Å; S738-E787 WeakPolarHBondContact CB-OE1 3.49Å; S738-E787 PolarHBondContact OG-OE1 2.76Å; S738-V788 VanDerWaalsContact CA-O 3.29Å; S738-V788 WeakPolarHBondContact CA-O 3.29Å
739R95.7Very high89.7Confident19 Ų1935.9 Ų35.97%0.07223%0.228CC..EExtended strand (participates in β ladder)trans-121.7158.5173.670175.7-177.4-83.4-6.2110.1E719 E741 S757 V788 N790E719-R739 HydrophobicContact CB-CB 3.97Å; R739-E741 HydrophobicContact CG-CG 4.46Å; R739-E741 IonicContact CZ-OE1 3.1Å; R739-E741 IonicContact NE-OE1 2.74Å; R739-E741 PolarHBondContact NE-OE1 3.41Å; R739-E741 IonicContact NH2-OE1 2.77Å; R739-E741 PolarHBondContact NH2-OE1 2.89Å; R739-S757 PolarHBondContact NH1-OG 2.72Å; R739-V788 HydrophobicContact CG-CB 4.14Å; R739-V788 PolarHBondContact N-O 2.84Å; R739-V788 PolarHBondContact O-N 3.39Å; R739-N790 VanDerWaalsContact NH1-CG 3.31Å; R739-N790 PolarHBondContact NH1-ND2 2.91Å; R739-N790 PolarHBondContact NH1-OD1 2.88Å
740I92.1Very high89.4Confident39 Ų3934.1 Ų34.120%0.222%0.217CC..EExtended strand (participates in β ladder)trans-98.5129.9174.6-54.9-58.8000109.3F382 L752 E785 E787F382-I740 HydrophobicContact CD1-CG1 4.35Å; I740-L752 HydrophobicContact CB-CD1 4.26Å; I740-L752 HydrophobicContact CG2-CD1 3.96Å; I740-E785 HydrophobicContact CG2-CB 3.81Å; I740-E785 HydrophobicContact CG2-CG 3.85Å; I740-E787 HydrophobicContact CD1-CB 4.22Å; I740-E787 HydrophobicContact CD1-CG 4.31Å
741E92.2Very high89.1Confident14 Ų1434.2 Ų34.27%0.06522%0.22CC..EExtended strand (participates in β ladder)trans-116.8151.6169.9-56-165.2162.400109.9R739 T749 T750 A751 E785 V786 V788R739-E741 HydrophobicContact CG-CG 4.46Å; R739-E741 IonicContact CZ-OE1 3.1Å; R739-E741 IonicContact NE-OE1 2.74Å; R739-E741 PolarHBondContact NE-OE1 3.41Å; R739-E741 IonicContact NH2-OE1 2.77Å; R739-E741 PolarHBondContact NH2-OE1 2.89Å; E741-T749 WeakPolarHBondContact OE2-CB 3.5Å; E741-T749 PolarHBondContact OE2-OG1 3.39Å; E741-T750 CarbonylContact C-O 3.51Å; E741-T750 VanDerWaalsContact CA-O 3.3Å; E741-T750 WeakPolarHBondContact CA-O 3.12Å; E741-T750 WeakPolarHBondContact CB-O 3.35Å; E741-A751 HydrophobicContact CG-CB 4.3Å; E741-E785 CarbonylContact O-C 3.57Å; E741-E785 WeakPolarHBondContact O-CA 3.31Å; E741-V786 PolarHBondContact N-O 2.93Å; E741-V786 PolarHBondContact O-N 3.48Å; E741-V788 HydrophobicContact CB-CG2 4.4Å; E741-V788 HydrophobicContact CG-CG2 3.77Å
742V86.9Confident88.6Confident33 Ų3334.9 Ų34.920%0.223%0.225CC..EExtended strand (participates in β ladder)trans-106.2138.8176.2176.10000109.6D744 T749 T750 L752V742-D744 PolarHBondContact O-N 3.16Å; V742-T749 WeakPolarHBondContact O-CA 3.44Å; V742-T750 PolarHBondContact N-O 2.75Å; V742-T750 PolarHBondContact O-N 2.91Å; V742-L752 HydrophobicContact CB-CD2 4.39Å; V742-L752 HydrophobicContact CG2-CD1 4.23Å; V742-L752 HydrophobicContact CG2-CD2 3.42Å; V742-L752 VanDerWaalsContact CG2-CD2 3.42Å; V742-L752 HydrophobicContact CG2-CG 3.87Å
743Q82.2Confident88.3Confident17 Ų1738.2 Ų38.28%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-74.4122.2178.6-163.7154.73800112.3G747 G748 T780 G783 E784Q743-G747 PolarHBondContact NE2-O 2.95Å; Q743-G748 CarbonylContact C-O 3.58Å; Q743-G748 WeakPolarHBondContact CA-O 3.35Å; Q743-T780 VanDerWaalsContact OE1-CB 3.32Å; Q743-G783 PolarHBondContact O-N 3.27Å; Q743-E784 PolarHBondContact N-O 3.39Å
744D78.2Confident88.1Confident57 Ų5742 Ų4231%0.30526%0.262SS..  trans-78.7162.3-179.9-69.9-41.3000112.7V742 S746 G747 G748 T750V742-D744 PolarHBondContact O-N 3.16Å; D744-S746 PolarHBondContact O-N 3.23Å; D744-G747 PolarHBondContact O-N 2.85Å; D744-G748 PolarHBondContact N-O 2.86Å; D744-T750 WeakPolarHBondContact OD2-CB 3.46Å; D744-T750 PolarHBondContact OD2-OG1 2.93Å
745T73.3Confident88Confident132 Ų13242 Ų4281%0.8126%0.262SS*.THydrogen-bonded Turntrans-56.9-22.2174.559.10000114.5G747 F782T745-G747 VanDerWaalsContact C-N 3.33Å; T745-F782 HydrophobicContact CG2-CD2 3.69Å; T745-F782 HydrophobicContact CG2-CE2 3.61Å
746S76.7Confident88Confident103 Ų10342.4 Ų42.472%0.7227%0.266SS*.THydrogen-bonded Turntrans-870.917757.30000113.9D744 G748D744-S746 PolarHBondContact O-N 3.23Å; S746-G748 VanDerWaalsContact C-N 3.25Å; S746-G748 PolarHBondContact O-N 2.84Å
747G70.8Confident87.9Confident47 Ų4742.8 Ų42.849%0.48527%0.268SS..SBendtrans80-1-174.400000114.7Q743 D744 T745Q743-G747 PolarHBondContact NE2-O 2.95Å; D744-G747 PolarHBondContact O-N 2.85Å; T745-G747 VanDerWaalsContact C-N 3.33Å
748G80.3Confident87.8Confident32 Ų3245.9 Ų45.933%0.3329%0.287SS..  trans-77.8176.1169.500000111.5Q743 D744 S746Q743-G748 CarbonylContact C-O 3.58Å; Q743-G748 WeakPolarHBondContact CA-O 3.35Å; D744-G748 PolarHBondContact N-O 2.86Å; S746-G748 VanDerWaalsContact C-N 3.25Å; S746-G748 PolarHBondContact O-N 2.84Å
749T85.1Confident87.7Confident51 Ų5151.8 Ų51.831%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-121.7142.2174.953.80000109.7E741 V742 V786E741-T749 WeakPolarHBondContact OE2-CB 3.5Å; E741-T749 PolarHBondContact OE2-OG1 3.39Å; V742-T749 WeakPolarHBondContact O-CA 3.44Å; T749-V786 HydrophobicContact CG2-CB 4.39Å; T749-V786 HydrophobicContact CG2-CG2 4.15Å
750T86.8Confident87.7Confident73 Ų7351.7 Ų51.745%0.44832%0.318SS..EExtended strand (participates in β ladder)trans-123.5131.6177.3-72.80000109.7E741 V742 D744E741-T750 CarbonylContact C-O 3.51Å; E741-T750 VanDerWaalsContact CA-O 3.3Å; E741-T750 WeakPolarHBondContact CA-O 3.12Å; E741-T750 WeakPolarHBondContact CB-O 3.35Å; V742-T750 PolarHBondContact N-O 2.75Å; V742-T750 PolarHBondContact O-N 2.91Å; D744-T750 WeakPolarHBondContact OD2-CB 3.46Å; D744-T750 PolarHBondContact OD2-OG1 2.93Å
751A88.5Confident87.9Confident30 Ų3055.7 Ų55.725%0.24834%0.339CS..EExtended strand (participates in β ladder)trans-64.3134174.600000111.2E741 R753 T758E741-A751 HydrophobicContact CG-CB 4.3Å; A751-R753 PolarHBondContact O-N 2.85Å; A751-T758 HydrophobicContact CB-CG2 4.28Å
752L85.7Confident88.1Confident79 Ų7957 Ų5741%0.41435%0.35SS..SBendtrans-63.8-29-180-74.6174.1000113.2I740 V742I740-L752 HydrophobicContact CB-CD1 4.26Å; I740-L752 HydrophobicContact CG2-CD1 3.96Å; V742-L752 HydrophobicContact CB-CD2 4.39Å; V742-L752 HydrophobicContact CG2-CD1 4.23Å; V742-L752 HydrophobicContact CG2-CD2 3.42Å; V742-L752 VanDerWaalsContact CG2-CD2 3.42Å; V742-L752 HydrophobicContact CG2-CG 3.87Å
753R89.9Confident88.5Confident74 Ų7460 Ų6028%0.27937%0.372SS..SBendtrans-155.7159.2-178.562.4-173.369.6-137.3-0.7111.2E307 A751 S755E307-R753 IonicContact OE2-NH1 2.98Å; E307-R753 PolarHBondContact OE2-NH1 2.84Å; E307-R753 IonicContact OE2-NH2 3.63Å; A751-R753 PolarHBondContact O-N 2.85Å; R753-S755 PolarHBondContact O-N 3.32Å
754P94.5Very high89.1Confident78 Ų7860.8 Ų60.851%0.50638%0.38SS..  trans-62133.8166.6-18.231.5000111Q759P754-Q759 HydrophobicContact CB-CG 4.16Å; P754-Q759 VanDerWaalsContact CB-NE2 3.28Å
755S96.8Very high89.9Confident1 Ų162.4 Ų62.41%0.00739%0.391CS..  trans-136.7172.2175.971.30000111.8E719 R753 S757 T758 Q759E719-S755 WeakPolarHBondContact OE2-CB 3.23Å; E719-S755 PolarHBondContact OE2-OG 3.24Å; R753-S755 PolarHBondContact O-N 3.32Å; S755-S757 VanDerWaalsContact C-N 3.29Å; S755-S757 PolarHBondContact O-N 2.96Å; S755-S757 PolarHBondContact OG-OG 2.82Å; S755-T758 PolarHBondContact N-OG1 2.85Å; S755-T758 PolarHBondContact O-N 3.4Å; S755-T758 PolarHBondContact O-OG1 3.21Å; S755-Q759 PolarHBondContact O-N 3.48Å
756A97Very high90.6Very high9 Ų956.6 Ų56.67%0.07436%0.356CS..THydrogen-bonded Turntrans-47.7-46.8177.800000113.3L717 E719 T758 Q759 A760 L792 V801L717-A756 HydrophobicContact CB-CB 3.93Å; L717-A756 HydrophobicContact CD2-CB 3.72Å; L717-A756 HydrophobicContact CG-CB 4.41Å; L717-A756 WeakPolarHBondContact O-CB 3.24Å; L717-A756 PolarHBondContact O-N 3.2Å; E719-A756 HydrophobicContact CG-CB 4.39Å; A756-T758 PolarHBondContact O-N 2.76Å; A756-Q759 PolarHBondContact O-N 2.89Å; A756-A760 PolarHBondContact O-N 2.91Å; A756-A760 VanDerWaalsContact O-N 3.15Å; A756-L792 HydrophobicContact CB-CD1 3.91Å; A756-V801 HydrophobicContact CB-CG2 3.91Å
757S96.8Very high90.9Very high7 Ų756.7 Ų56.75%0.04936%0.357CS..THydrogen-bonded Turntrans-65.7-34.4177.762.60000113.7E719 R739 S755 A804E719-S757 WeakPolarHBondContact OE1-CB 3.46Å; E719-S757 PolarHBondContact OE1-N 2.79Å; E719-S757 VanDerWaalsContact OE1-N 3.17Å; E719-S757 WeakPolarHBondContact OE2-CB 3.38Å; E719-S757 PolarHBondContact OE2-N 2.89Å; E719-S757 PolarHBondContact OE2-OG 3Å; R739-S757 PolarHBondContact NH1-OG 2.72Å; S755-S757 VanDerWaalsContact C-N 3.29Å; S755-S757 PolarHBondContact O-N 2.96Å; S755-S757 PolarHBondContact OG-OG 2.82Å; S757-A804 WeakPolarHBondContact O-CB 3.47Å
758T96.3Very high90.9Very high65 Ų6555.4 Ų55.440%0.39934%0.34SS..THydrogen-bonded Turntrans-81.5-22.1-179.667.30000113.7A751 S755 A756A751-T758 HydrophobicContact CB-CG2 4.28Å; S755-T758 PolarHBondContact N-OG1 2.85Å; S755-T758 PolarHBondContact O-N 3.4Å; S755-T758 PolarHBondContact O-OG1 3.21Å; A756-T758 PolarHBondContact O-N 2.76Å
759Q96.1Very high90.4Very high127 Ų12764.3 Ų64.359%0.59337%0.37SS*.SBendtrans-105.46.8-178.2-66.5-174.8-26.600113.2P754 S755 A756P754-Q759 HydrophobicContact CB-CG 4.16Å; P754-Q759 VanDerWaalsContact CB-NE2 3.28Å; S755-Q759 PolarHBondContact O-N 3.48Å; A756-Q759 PolarHBondContact O-N 2.89Å
760A96.1Very high89.5Confident18 Ų1865.9 Ų65.915%0.14938%0.376CS..  trans-58.4146.3177.600000112.2A756 S762 V801 A804A756-A760 PolarHBondContact O-N 2.91Å; A756-A760 VanDerWaalsContact O-N 3.15Å; A760-S762 PolarHBondContact O-N 3.02Å; A760-V801 WeakPolarHBondContact CA-O 3.42Å; A760-V801 HydrophobicContact CB-CB 4.22Å; A760-V801 HydrophobicContact CB-CG1 3.58Å; A760-A804 HydrophobicContact CB-CB 3.54Å
761L95.8Very high88.6Confident122 Ų12263.2 Ų63.264%0.63936%0.358SS*.SBendtrans-60.7-28.6179.8-64.6179.6000113V801 L802L761-V801 PolarHBondContact N-O 2.95Å; L761-L802 HydrophobicContact CD1-CD2 4Å
762S96.2Very high87.1Confident43 Ų4365.8 Ų65.830%0.30137%0.374SS..SBendtrans-145.6153172.962.10000110.4A760 L802 H803 A804A760-S762 PolarHBondContact O-N 3.02Å; S762-L802 PolarHBondContact N-O 3.24Å; S762-L802 PolarHBondContact OG-O 2.99Å; S762-H803 CarbonylContact O-C 3.53Å; S762-H803 VanDerWaalsContact O-CA 3.25Å; S762-H803 WeakPolarHBondContact O-CA 3.4Å; S762-H803 PolarHBondContact O-ND1 2.82Å; S762-H803 PolarHBondContact OG-ND1 3.28Å; S762-A804 PolarHBondContact O-N 3.04Å
763S95.5Very high85.5Confident94 Ų9467.9 Ų67.966%0.65740%0.395SS*.EExtended strand (participates in β ladder)trans-136.6155.6179.361.30000112.1A804S763-A804 CarbonylContact C-O 3.58Å; S763-A804 WeakPolarHBondContact CA-O 3.4Å
764S95.7Very high83.3Confident35 Ų3568.6 Ų68.625%0.24541%0.412CS..EExtended strand (participates in β ladder)trans-143.4159.1170.661.30000109.9H803 A804 H805 Q806S764-H803 PolarHBondContact OG-NE2 2.85Å; S764-A804 PolarHBondContact N-O 2.73Å; S764-H805 CarbonylContact O-C 3.57Å; S764-H805 WeakPolarHBondContact O-CA 3.34Å; S764-H805 PolarHBondContact OG-ND1 3.39Å; S764-Q806 PolarHBondContact O-N 3.24Å
765V93.5Very high81Confident90 Ų9068.1 Ų68.155%0.54541%0.408SS..EExtended strand (participates in β ladder)trans-124.1139.8178.8-175.30000108.1S767 Q806V765-S767 PolarHBondContact O-N 2.81Å; V765-Q806 CarbonylContact C-O 3.57Å; V765-Q806 WeakPolarHBondContact CA-O 3.2Å; V765-Q806 HydrophobicContact CG2-CB 4.28Å
766S89.6Confident78.4Confident10 Ų1071.3 Ų71.37%0.0743%0.434CS..  trans-55.6130.5172.4-91.30000111.3H805 Q806 L808 R847S766-H805 PolarHBondContact N-CE1 3.33Å; S766-H805 PolarHBondContact OG-NE2 2.83Å; S766-Q806 PolarHBondContact N-O 3.3Å; S766-L808 VanDerWaalsContact O-CD2 3.24Å; S766-L808 WeakPolarHBondContact O-CD2 3.33Å; S766-R847 PolarHBondContact OG-NH2 2.86Å
767S81.4Confident75.8Confident106 Ų10677 Ų7774%0.74147%0.471SS*.  trans-125.4100.2169.165.50000108.4V765V765-S767 PolarHBondContact O-N 2.81Å
768S72.5Confident73.5Confident20 Ų2082.3 Ų82.314%0.1449%0.494CS..  trans-112.4136177.8-164.40000111.2L770 E863S768-L770 VanDerWaalsContact C-N 3.26Å; S768-L770 WeakPolarHBondContact OG-CB 3.39Å; S768-L770 PolarHBondContact OG-N 2.93Å; S768-E863 PolarHBondContact OG-OE2 3.34Å
769K69.6Low71Confident219 Ų21988.7 Ų88.795%0.95252%0.52SS*.SBendtrans-80.5-11.3168.8-66179.9-178.1173.50112.4
770L66Low68.8Low83 Ų8386.1 Ų86.144%0.43551%0.513SS..SBendtrans-76.6-33.6-175.3-62.8166.9000111.5S768 E865S768-L770 VanDerWaalsContact C-N 3.26Å; S768-L770 WeakPolarHBondContact OG-CB 3.39Å; S768-L770 PolarHBondContact OG-N 2.93Å; L770-E865 HydrophobicContact CD1-CB 4.39Å
771F67.8Low66.9Low17 Ų1788.8 Ų88.88%0.07553%0.53CS..SBendtrans-105.4125.1177.4-58-63.6000109.5S773 L808 M835 Q845 R847F771-S773 PolarHBondContact O-N 3.4Å; F771-L808 HydrophobicContact CB-CD1 4.11Å; F771-L808 HydrophobicContact CD2-CD1 3.82Å; F771-L808 HydrophobicContact CG-CD1 4.38Å; F771-M835 HydrophobicContact CD1-CG 3.93Å; F771-M835 HydrophobicContact CD1-SD 4.36Å; F771-M835 HydrophobicContact CD2-SD 4.26Å; F771-M835 HydrophobicContact CE1-CG 3.62Å; F771-M835 HydrophobicContact CE1-SD 4.39Å; F771-M835 HydrophobicContact CE2-CG 4.36Å; F771-M835 HydrophobicContact CE2-SD 4.25Å; F771-M835 HydrophobicContact CG-CG 4.45Å; F771-M835 HydrophobicContact CG-SD 4.3Å; F771-M835 HydrophobicContact CZ-CG 3.85Å; F771-M835 HydrophobicContact CZ-SD 4.33Å; F771-Q845 HydrophobicContact CE1-CB 4.06Å; F771-R847 HydrophobicContact CE2-CB 4.44Å; F771-R847 HydrophobicContact CE2-CG 3.97Å; F771-R847 HydrophobicContact CZ-CG 4.45Å
772S56Low65.3Low85 Ų8590.4 Ų90.459%0.59453%0.532SS*.  trans-69.4126.5170.9-174.10000108.6S774S772-S774 PolarHBondContact O-N 3Å; S772-S774 VanDerWaalsContact O-N 3.07Å; S772-S774 VanDerWaalsContact OG-CB 3.3Å; S772-S774 WeakPolarHBondContact OG-CB 3.27Å; S772-S774 PolarHBondContact OG-N 2.81Å; S772-S774 VanDerWaalsContact OG-N 3.14Å; S772-S774 PolarHBondContact OG-OG 3.02Å
773S51.8Low63.8Low122 Ų12290.2 Ų90.285%0.85354%0.537SS*.SBendtrans-66.80.2167.7650000112.8F771 T775F771-S773 PolarHBondContact O-N 3.4Å; S773-T775 VanDerWaalsContact C-N 3.31Å; S773-T775 PolarHBondContact O-N 2.82Å; S773-T775 VanDerWaalsContact O-N 3.14Å
774S43.5Very low63Low90 Ų9090 Ų9063%0.62953%0.526SS*.  trans-84.568.5177.875.50000111.3S772 A776S772-S774 PolarHBondContact O-N 3Å; S772-S774 VanDerWaalsContact O-N 3.07Å; S772-S774 VanDerWaalsContact OG-CB 3.3Å; S772-S774 WeakPolarHBondContact OG-CB 3.27Å; S772-S774 PolarHBondContact OG-N 2.81Å; S772-S774 VanDerWaalsContact OG-N 3.14Å; S772-S774 PolarHBondContact OG-OG 3.02Å; S774-A776 PolarHBondContact O-N 2.87Å
775T47.3Very low62.5Low67 Ų6793.9 Ų93.941%0.41154%0.54SS..  trans-60.6126.8149.228.50000106.3S773 Y837S773-T775 VanDerWaalsContact C-N 3.31Å; S773-T775 PolarHBondContact O-N 2.82Å; S773-T775 VanDerWaalsContact O-N 3.14Å; T775-Y837 HydrophobicContact CG2-CE1 4.45Å
776A41.5Very low62.3Low69 Ų6990.4 Ų90.457%0.5752%0.519SS*.  trans-51.4146.9166.100000107.5S774 H778S774-A776 PolarHBondContact O-N 2.87Å; A776-H778 PolarHBondContact O-CD2 3.33Å; A776-H778 PolarHBondContact O-N 2.85Å
777P42.1Very low62.4Low129 Ų12992.5 Ų92.584%0.83853%0.527SS*.  trans-61.695.3171.826.3-30.4000106.1
778H48.9Very low63.1Low117 Ų11788.1 Ų88.154%0.54250%0.496SS..  trans-54.6152.4160.2-81.4-91.3000105.9A776 T780A776-H778 PolarHBondContact O-CD2 3.33Å; A776-H778 PolarHBondContact O-N 2.85Å; H778-T780 HydrophobicContact CB-CG2 4.14Å; H778-T780 PolarHBondContact O-N 2.92Å; H778-T780 PolarHBondContact O-OG1 2.85Å
779E44.9Very low64.3Low200 Ų20087.3 Ų87.394%0.93549%0.49SS*.  trans-65.267.8164.8-67-177.9159.600107.8S781E779-S781 PolarHBondContact O-N 3.11Å; E779-S781 VanDerWaalsContact O-N 3.09Å
780T49.3Very low65.7Low73 Ų7377 Ų7745%0.44845%0.445SS..  trans-66.3107.8176.843.90000106.3Q743 H778Q743-T780 VanDerWaalsContact OE1-CB 3.32Å; H778-T780 HydrophobicContact CB-CG2 4.14Å; H778-T780 PolarHBondContact O-N 2.92Å; H778-T780 PolarHBondContact O-OG1 2.85Å
781S56.6Low67.2Low74 Ų7473 Ų7352%0.51742%0.424SS..  trans-66.6131.2171.145.80000109.1E779 G783 E784E779-S781 PolarHBondContact O-N 3.11Å; E779-S781 VanDerWaalsContact O-N 3.09Å; S781-G783 PolarHBondContact O-N 2.79Å; S781-E784 WeakPolarHBondContact O-CB 3.36Å; S781-E784 PolarHBondContact O-N 2.74Å
782F60.7Low68.7Low156 Ų15672.2 Ų72.268%0.68442%0.421SS*.THydrogen-bonded Turntrans-50.2134.6167.9165.4-99000110.6T745T745-F782 HydrophobicContact CG2-CD2 3.69Å; T745-F782 HydrophobicContact CG2-CE2 3.61Å
783G65.9Low70.7Confident38 Ų3868.1 Ų68.139%0.39239%0.393SS..THydrogen-bonded Turntrans91.44.117900000115.6Q743 S781Q743-G783 PolarHBondContact O-N 3.27Å; S781-G783 PolarHBondContact O-N 2.79Å
784E78.6Confident72.9Confident91 Ų9162.3 Ų62.343%0.42535%0.352SS..  trans-67.3135.7175.1-167.9173177.700111.4Q743 S781Q743-E784 PolarHBondContact N-O 3.39Å; S781-E784 WeakPolarHBondContact O-CB 3.36Å; S781-E784 PolarHBondContact O-N 2.74Å
785E84.7Confident75.4Confident116 Ų11659.7 Ų59.754%0.54233%0.331SS..EExtended strand (participates in β ladder)trans-81.1131176-70.6-175.4176.300110.7I740 E741I740-E785 HydrophobicContact CG2-CB 3.81Å; I740-E785 HydrophobicContact CG2-CG 3.85Å; E741-E785 CarbonylContact O-C 3.57Å; E741-E785 WeakPolarHBondContact O-CA 3.31Å
786V89Confident77.6Confident16 Ų1656.5 Ų56.510%0.09731%0.311CS..EExtended strand (participates in β ladder)trans-119.9126.6178.7-177.40000109.1E741 T749 V788E741-V786 PolarHBondContact N-O 2.93Å; E741-V786 PolarHBondContact O-N 3.48Å; T749-V786 HydrophobicContact CG2-CB 4.39Å; T749-V786 HydrophobicContact CG2-CG2 4.15Å; V786-V788 HydrophobicContact CG1-CG2 4.5Å
787E92.4Very high79.8Confident54 Ų5459 Ų5925%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-84.1123.3174.6-169.6174-170.200110.7S738 I740 H789 Y812S738-E787 WeakPolarHBondContact CB-OE1 3.49Å; S738-E787 PolarHBondContact OG-OE1 2.76Å; I740-E787 HydrophobicContact CD1-CB 4.22Å; I740-E787 HydrophobicContact CD1-CG 4.31Å; E787-H789 IonicContact OE1-CE1 2.78Å; E787-H789 IonicContact OE1-NE2 3.18Å; E787-H789 IonicContact OE2-NE2 2.69Å; E787-Y812 WeakPolarHBondContact OE2-CE1 3.28Å; E787-Y812 PolarHBondContact OE2-OH 3.23Å
788V95.7Very high82.1Confident14 Ų1456.3 Ų56.39%0.08529%0.292CS..EExtended strand (participates in β ladder)trans-113.1118.8179.6-178.90000109.9S738 R739 E741 V786 N790 Q806S738-V788 VanDerWaalsContact CA-O 3.29Å; S738-V788 WeakPolarHBondContact CA-O 3.29Å; R739-V788 HydrophobicContact CG-CB 4.14Å; R739-V788 PolarHBondContact N-O 2.84Å; R739-V788 PolarHBondContact O-N 3.39Å; E741-V788 HydrophobicContact CB-CG2 4.4Å; E741-V788 HydrophobicContact CG-CG2 3.77Å; V786-V788 HydrophobicContact CG1-CG2 4.5Å; V788-N790 PolarHBondContact O-ND2 3.2Å; V788-Q806 HydrophobicContact CG1-CG 3.65Å
789H98Very high84.2Confident3 Ų351.3 Ų51.31%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-91.4145.8179.6-72.4-109.7000112.4S737 E787 F807 Y812 A813S737-H789 CarbonylContact O-C 3.48Å; S737-H789 WeakPolarHBondContact O-CA 3.33Å; E787-H789 IonicContact OE1-CE1 2.78Å; E787-H789 IonicContact OE1-NE2 3.18Å; E787-H789 IonicContact OE2-NE2 2.69Å; H789-F807 HydrophobicContact CB-CB 4.5Å; H789-F807 HydrophobicContact CB-CD2 4.16Å; H789-F807 WeakPolarHBondContact O-CD2 3.44Å; H789-F807 PolarHBondContact O-N 3.21Å; H789-Y812 AromaticContact CE1-CD1 3.65Å; H789-Y812 AromaticContact NE2-CD1 3.14Å; H789-Y812 WeakPolarHBondContact NE2-CD1 3.3Å; H789-Y812 AromaticContact NE2-CE1 3.46Å; H789-Y812 WeakPolarHBondContact NE2-CE1 3.25Å; H789-Y812 AromaticContact NE2-CG 3.49Å; H789-A813 HydrophobicContact CB-CB 4.04Å; H789-A813 PolarHBondContact ND1-N 2.8Å
790N98.4Very high86.7Confident2 Ų247.1 Ų47.11%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-138.8152.6-178-50.6-86.6000111.8L736 S737 R739 V788 L792 H805 Q806L736-N790 VanDerWaalsContact CA-O 3.31Å; L736-N790 WeakPolarHBondContact CA-O 3.36Å; S737-N790 PolarHBondContact N-O 2.95Å; S737-N790 PolarHBondContact O-N 3.26Å; R739-N790 VanDerWaalsContact NH1-CG 3.31Å; R739-N790 PolarHBondContact NH1-ND2 2.91Å; R739-N790 PolarHBondContact NH1-OD1 2.88Å; V788-N790 PolarHBondContact O-ND2 3.2Å; N790-L792 HydrophobicContact CB-CD2 4.27Å; N790-H805 CarbonylContact C-O 3.52Å; N790-H805 WeakPolarHBondContact CA-O 3.03Å; N790-Q806 WeakPolarHBondContact OD1-CA 3.18Å
791L98.6Very high89Confident0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-105116.8160.5168.466.1000108.6L736 I793 A804 H805 F807 L816 V831 F851 L858L736-L791 HydrophobicContact CD2-CB 4.03Å; L736-L791 HydrophobicContact CD2-CD1 3.98Å; L791-I793 HydrophobicContact CD1-CD1 4.45Å; L791-I793 HydrophobicContact CD2-CD1 4.46Å; L791-I793 HydrophobicContact CG-CD1 4.31Å; L791-A804 WeakPolarHBondContact O-CA 3.04Å; L791-H805 HydrophobicContact CB-CB 4.3Å; L791-H805 PolarHBondContact N-O 3.46Å; L791-H805 PolarHBondContact O-N 3.28Å; L791-F807 HydrophobicContact CB-CE2 4.03Å; L791-F807 HydrophobicContact CB-CZ 4.23Å; L791-L816 HydrophobicContact CD1-CD1 4.14Å; L791-L816 HydrophobicContact CD1-CD2 4.43Å; L791-V831 HydrophobicContact CD2-CG2 4Å; L791-F851 HydrophobicContact CD2-CD2 3.71Å; L791-F851 HydrophobicContact CD2-CE2 3.96Å; L791-F851 HydrophobicContact CD2-CG 4.22Å; L791-L858 HydrophobicContact CD2-CD2 4.05Å
792L98.6Very high90.9Very high0 Ų042.7 Ų42.70%022%0.217CC..EExtended strand (participates in β ladder)trans-95.4137.5174.1-50.4-178.3000110.2G734 V735 A756 N790 I794 V801 H803 A804G734-L792 CarbonylContact C-O 3.49Å; G734-L792 WeakPolarHBondContact CA-O 3.23Å; V735-L792 HydrophobicContact CB-CB 4.28Å; V735-L792 PolarHBondContact N-O 2.86Å; V735-L792 PolarHBondContact O-N 2.81Å; A756-L792 HydrophobicContact CB-CD1 3.91Å; N790-L792 HydrophobicContact CB-CD2 4.27Å; L792-I794 HydrophobicContact CB-CD1 4.22Å; L792-I794 HydrophobicContact CB-CG1 4.12Å; L792-I794 HydrophobicContact CD1-CD1 4.33Å; L792-V801 HydrophobicContact CB-CG1 4.3Å; L792-V801 HydrophobicContact CD2-CG1 4.13Å; L792-H803 CarbonylContact C-O 3.56Å; L792-H803 WeakPolarHBondContact CA-O 3.32Å; L792-A804 HydrophobicContact CD2-CB 3.74Å
793I98.5Very high92.7Very high0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-107.4118.3166.7-52.6-58.7000107.5C732 F733 L791 L802 H803 F829 Y853 L858C732-I793 HydrophobicContact CB-CG2 3.86Å; F733-I793 WeakPolarHBondContact O-CA 3.32Å; L791-I793 HydrophobicContact CD1-CD1 4.45Å; L791-I793 HydrophobicContact CD2-CD1 4.46Å; L791-I793 HydrophobicContact CG-CD1 4.31Å; I793-L802 WeakPolarHBondContact O-CB 3.28Å; I793-L802 PolarHBondContact O-N 2.99Å; I793-H803 HydrophobicContact CB-CB 4.08Å; I793-H803 HydrophobicContact CG1-CB 4.09Å; I793-H803 PolarHBondContact N-O 3.44Å; I793-H803 PolarHBondContact O-N 3.3Å; I793-F829 HydrophobicContact CD1-CD2 3.92Å; I793-F829 HydrophobicContact CD1-CE2 3.8Å; I793-F829 HydrophobicContact CD1-CG 4.5Å; I793-F829 HydrophobicContact CD1-CZ 4.28Å; I793-Y853 HydrophobicContact CG1-CD2 4.28Å; I793-Y853 HydrophobicContact CG2-CD1 3.89Å; I793-Y853 HydrophobicContact CG2-CD2 4.16Å; I793-Y853 HydrophobicContact CG2-CE1 3.77Å; I793-Y853 HydrophobicContact CG2-CE2 4.07Å; I793-Y853 HydrophobicContact CG2-CG 4.07Å; I793-L858 HydrophobicContact CD1-CD1 4.04Å; I793-L858 HydrophobicContact CG1-CD1 4.11Å
794I98.2Very high94.3Very high0 Ų034.1 Ų34.10%017%0.17CC..EExtended strand (participates in β ladder)trans-120.5132.4-171.2-61176000109.4L387 L717 C732 F733 V735 L792 F799 E800 V801L387-I794 HydrophobicContact CD1-CD1 3.79Å; L717-I794 HydrophobicContact CD2-CD1 4.31Å; C732-I794 CarbonylContact C-O 3.55Å; C732-I794 WeakPolarHBondContact CA-O 3.35Å; C732-I794 WeakPolarHBondContact CB-O 3.31Å; F733-I794 HydrophobicContact CB-CB 4.33Å; F733-I794 PolarHBondContact N-O 2.86Å; F733-I794 PolarHBondContact O-N 3.46Å; V735-I794 HydrophobicContact CB-CD1 4.23Å; V735-I794 HydrophobicContact CG2-CD1 3.88Å; L792-I794 HydrophobicContact CB-CD1 4.22Å; L792-I794 HydrophobicContact CB-CG1 4.12Å; L792-I794 HydrophobicContact CD1-CD1 4.33Å; I794-F799 HydrophobicContact CG2-CB 4.2Å; I794-F799 HydrophobicContact CG2-CD1 4.22Å; I794-E800 WeakPolarHBondContact CA-O 3.43Å; I794-V801 HydrophobicContact CG1-CG2 4.35Å
795D96.1Very high95.2Very high34 Ų3430 Ų3018%0.18215%0.151CC..EExtended strand (participates in β ladder)trans-66.6138.3176.8178.5-102.5000111.6H797 T798 F799 E800 L802D795-H797 VanDerWaalsContact C-N 3.33Å; D795-H797 PolarHBondContact O-N 2.56Å; D795-H797 PolarHBondContact OD1-N 3.4Å; D795-T798 WeakPolarHBondContact CB-OG1 3.2Å; D795-T798 PolarHBondContact OD1-N 3.23Å; D795-T798 PolarHBondContact OD1-OG1 3.1Å; D795-F799 WeakPolarHBondContact O-CA 3.41Å; D795-F799 PolarHBondContact O-N 2.93Å; D795-E800 PolarHBondContact N-O 2.78Å; D795-L802 HydrophobicContact CB-CD1 4.06Å; D795-L802 HydrophobicContact CB-CD2 4.15Å; D795-L802 HydrophobicContact CB-CG 4.14Å
796Q92.9Very high95.8Very high1 Ų127.3 Ų27.31%0.00514%0.138CC..THydrogen-bonded Turntrans-72.3-21.5-174.672.1176.930.400115.2L367 Y726 Q731 F733 F799L367-Q796 HydrophobicContact CD2-CB 3.94Å; L367-Q796 HydrophobicContact CD2-CG 4.39Å; Y726-Q796 HydrophobicContact CE2-CB 4.42Å; Y726-Q796 PolarHBondContact OH-OE1 2.89Å; Q731-Q796 VanDerWaalsContact CA-OE1 3.23Å; Q731-Q796 HydrophobicContact CB-CG 4.12Å; Q731-Q796 VanDerWaalsContact CD-OE1 3.29Å; Q731-Q796 WeakPolarHBondContact O-CB 3.3Å; Q731-Q796 WeakPolarHBondContact O-CG 3.21Å; Q731-Q796 PolarHBondContact O-N 3.37Å; Q731-Q796 VanDerWaalsContact OE1-CD 3.31Å; F733-Q796 HydrophobicContact CD2-CB 4.39Å; F733-Q796 HydrophobicContact CE2-CB 3.93Å; Q796-F799 WeakPolarHBondContact O-CE2 3.42Å
797H87.6Confident96.2Very high121 Ų12126.7 Ų26.756%0.5613%0.134SC*.THydrogen-bonded Turntrans-99.2-50.5-172.8-66.4-58.2000111.1D795D795-H797 VanDerWaalsContact C-N 3.33Å; D795-H797 PolarHBondContact O-N 2.56Å; D795-H797 PolarHBondContact OD1-N 3.4Å
798T90.5Very high96.2Very high72 Ų7226.1 Ų26.144%0.44213%0.133SC..THydrogen-bonded Turntrans-84.9-26.3-178.360.50000112.2D795 E800D795-T798 WeakPolarHBondContact CB-OG1 3.2Å; D795-T798 PolarHBondContact OD1-N 3.23Å; D795-T798 PolarHBondContact OD1-OG1 3.1Å; T798-E800 PolarHBondContact O-N 2.87Å; T798-E800 PolarHBondContact OG1-N 3.22Å
799F93.3Very high95.8Very high13 Ų1330.5 Ų30.56%0.05715%0.152CC..  trans60.520.9-168.3-65-93.5000114I389 V715 F733 I794 D795 Q796I389-F799 HydrophobicContact CD1-CD1 4.31Å; I389-F799 HydrophobicContact CD1-CE1 3.96Å; I389-F799 HydrophobicContact CD1-CE2 4.29Å; I389-F799 HydrophobicContact CD1-CZ 3.96Å; I389-F799 HydrophobicContact CG1-CE1 3.76Å; I389-F799 HydrophobicContact CG1-CE2 4.06Å; I389-F799 HydrophobicContact CG1-CZ 3.47Å; I389-F799 VanDerWaalsContact CG1-CZ 3.47Å; V715-F799 HydrophobicContact CB-CB 4.44Å; V715-F799 HydrophobicContact CG1-CB 3.9Å; V715-F799 HydrophobicContact CG2-CB 3.74Å; V715-F799 HydrophobicContact CG2-CD1 4.17Å; V715-F799 HydrophobicContact CG2-CD2 4.33Å; V715-F799 HydrophobicContact CG2-CG 3.83Å; F733-F799 HydrophobicContact CD2-CE1 4.18Å; F733-F799 AromaticContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CZ 4.1Å; F733-F799 HydrophobicContact CZ-CE1 4.43Å; I794-F799 HydrophobicContact CG2-CB 4.2Å; I794-F799 HydrophobicContact CG2-CD1 4.22Å; D795-F799 WeakPolarHBondContact O-CA 3.41Å; D795-F799 PolarHBondContact O-N 2.93Å; Q796-F799 WeakPolarHBondContact O-CE2 3.42Å
800E96.2Very high95.5Very high111 Ų11132 Ų3252%0.51916%0.161SC..  trans-70.1144.2170.6-71.7-174.7168.100111.5I794 D795 T798 L802I794-E800 WeakPolarHBondContact CA-O 3.43Å; D795-E800 PolarHBondContact N-O 2.78Å; T798-E800 PolarHBondContact O-N 2.87Å; T798-E800 PolarHBondContact OG1-N 3.22Å; E800-L802 PolarHBondContact O-N 2.93Å
801V97.7Very high95.4Very high21 Ų2132 Ų3213%0.12716%0.161CC..EExtended strand (participates in β ladder)trans-82.698.1178.1-170.90000109.3A756 A760 L761 L792 I794A756-V801 HydrophobicContact CB-CG2 3.91Å; A760-V801 WeakPolarHBondContact CA-O 3.42Å; A760-V801 HydrophobicContact CB-CB 4.22Å; A760-V801 HydrophobicContact CB-CG1 3.58Å; L761-V801 PolarHBondContact N-O 2.95Å; L792-V801 HydrophobicContact CB-CG1 4.3Å; L792-V801 HydrophobicContact CD2-CG1 4.13Å; I794-V801 HydrophobicContact CG1-CG2 4.35Å
802L97.7Very high95.3Very high33 Ų3334.9 Ų34.917%0.17317%0.172CC..EExtended strand (participates in β ladder)trans-70.4-38.7-177.6-55.7-178.2000112.4L761 S762 I793 D795 E800 Y853L761-L802 HydrophobicContact CD1-CD2 4Å; S762-L802 PolarHBondContact N-O 3.24Å; S762-L802 PolarHBondContact OG-O 2.99Å; I793-L802 WeakPolarHBondContact O-CB 3.28Å; I793-L802 PolarHBondContact O-N 2.99Å; D795-L802 HydrophobicContact CB-CD1 4.06Å; D795-L802 HydrophobicContact CB-CD2 4.15Å; D795-L802 HydrophobicContact CB-CG 4.14Å; E800-L802 PolarHBondContact O-N 2.93Å; L802-Y853 HydrophobicContact CD1-CE1 4.38Å; L802-Y853 WeakPolarHBondContact CD1-OH 3.32Å
803H98.3Very high95.3Very high10 Ų1035 Ų355%0.04617%0.173CC..EExtended strand (participates in β ladder)trans-148.5142.6-179.4-166.979.3000112.1S762 S764 L792 I793S762-H803 CarbonylContact O-C 3.53Å; S762-H803 VanDerWaalsContact O-CA 3.25Å; S762-H803 WeakPolarHBondContact O-CA 3.4Å; S762-H803 PolarHBondContact O-ND1 2.82Å; S762-H803 PolarHBondContact OG-ND1 3.28Å; S764-H803 PolarHBondContact OG-NE2 2.85Å; L792-H803 CarbonylContact C-O 3.56Å; L792-H803 WeakPolarHBondContact CA-O 3.32Å; I793-H803 HydrophobicContact CB-CB 4.08Å; I793-H803 HydrophobicContact CG1-CB 4.09Å; I793-H803 PolarHBondContact N-O 3.44Å; I793-H803 PolarHBondContact O-N 3.3Å
804A98.2Very high95.3Very high4 Ų437 Ų373%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-124.1118.3168.900000111.2S757 A760 S762 S763 S764 L791 L792S757-A804 WeakPolarHBondContact O-CB 3.47Å; A760-A804 HydrophobicContact CB-CB 3.54Å; S762-A804 PolarHBondContact O-N 3.04Å; S763-A804 CarbonylContact C-O 3.58Å; S763-A804 WeakPolarHBondContact CA-O 3.4Å; S764-A804 PolarHBondContact N-O 2.73Å; L791-A804 WeakPolarHBondContact O-CA 3.04Å; L792-A804 HydrophobicContact CD2-CB 3.74Å
805H98.2Very high95.3Very high6 Ų637.1 Ų37.13%0.02818%0.184CC..EExtended strand (participates in β ladder)trans-100.6114.3173.1-176.681.9000110.4S764 S766 N790 L791 F851 L858S764-H805 CarbonylContact O-C 3.57Å; S764-H805 WeakPolarHBondContact O-CA 3.34Å; S764-H805 PolarHBondContact OG-ND1 3.39Å; S766-H805 PolarHBondContact N-CE1 3.33Å; S766-H805 PolarHBondContact OG-NE2 2.83Å; N790-H805 CarbonylContact C-O 3.52Å; N790-H805 WeakPolarHBondContact CA-O 3.03Å; L791-H805 HydrophobicContact CB-CB 4.3Å; L791-H805 PolarHBondContact N-O 3.46Å; L791-H805 PolarHBondContact O-N 3.28Å; H805-F851 AromaticContact CD2-CE1 3.96Å; H805-F851 AromaticContact CD2-CZ 3.54Å; H805-F851 AromaticContact CE1-CE1 3.91Å; H805-F851 AromaticContact NE2-CE1 3.86Å; H805-F851 AromaticContact NE2-CZ 3.6Å; H805-L858 HydrophobicContact CB-CD2 3.8Å
806Q97.5Very high95.4Very high59 Ų5936.5 Ų36.528%0.27618%0.181SC..EExtended strand (participates in β ladder)trans-86.3129.8178.2-179.5175.5-43.700111S764 V765 S766 V788 N790S764-Q806 PolarHBondContact O-N 3.24Å; V765-Q806 CarbonylContact C-O 3.57Å; V765-Q806 WeakPolarHBondContact CA-O 3.2Å; V765-Q806 HydrophobicContact CG2-CB 4.28Å; S766-Q806 PolarHBondContact N-O 3.3Å; V788-Q806 HydrophobicContact CG1-CG 3.65Å; N790-Q806 WeakPolarHBondContact OD1-CA 3.18Å
807F96.5Very high95.7Very high2 Ų237.4 Ų37.41%0.00919%0.186CC..PPolyproline II helixtrans-79.3171.1174.9-69.2-76.9000112.1L736 H789 L791 E811 A813 V831 T833 F851L736-F807 HydrophobicContact CD2-CE2 4.4Å; H789-F807 HydrophobicContact CB-CB 4.5Å; H789-F807 HydrophobicContact CB-CD2 4.16Å; H789-F807 WeakPolarHBondContact O-CD2 3.44Å; H789-F807 PolarHBondContact O-N 3.21Å; L791-F807 HydrophobicContact CB-CE2 4.03Å; L791-F807 HydrophobicContact CB-CZ 4.23Å; F807-E811 HydrophobicContact CB-CB 4.11Å; F807-E811 HydrophobicContact CB-CG 4.06Å; F807-E811 HydrophobicContact CD1-CG 4.46Å; F807-A813 HydrophobicContact CD2-CB 3.92Å; F807-A813 HydrophobicContact CE2-CB 3.76Å; F807-A813 HydrophobicContact CZ-CB 4.41Å; F807-V831 HydrophobicContact CE1-CG1 4.24Å; F807-V831 HydrophobicContact CE2-CG1 4.28Å; F807-V831 HydrophobicContact CZ-CB 4.09Å; F807-V831 HydrophobicContact CZ-CG1 3.64Å; F807-V831 HydrophobicContact CZ-CG2 4.19Å; F807-T833 HydrophobicContact CD1-CG2 4.11Å; F807-T833 HydrophobicContact CE1-CG2 3.99Å; F807-F851 HydrophobicContact CE1-CE2 4.37Å; F807-F851 HydrophobicContact CE1-CZ 4.31Å; F807-F851 HydrophobicContact CZ-CE2 4.26Å; F807-F851 HydrophobicContact CZ-CZ 4.46Å
808L93.3Very high96.2Very high43 Ų4333 Ų3323%0.22517%0.169CC..PPolyproline II helixtrans-65.3162.6179.5-61.6172.2000111.6S766 F771 N810 E811S766-L808 VanDerWaalsContact O-CD2 3.24Å; S766-L808 WeakPolarHBondContact O-CD2 3.33Å; F771-L808 HydrophobicContact CB-CD1 4.11Å; F771-L808 HydrophobicContact CD2-CD1 3.82Å; F771-L808 HydrophobicContact CG-CD1 4.38Å; L808-N810 PolarHBondContact O-N 2.75Å; L808-E811 HydrophobicContact CB-CB 3.91Å; L808-E811 WeakPolarHBondContact CB-OE2 3.5Å; L808-E811 WeakPolarHBondContact CG-OE2 3.17Å; L808-E811 PolarHBondContact N-OE2 2.81Å; L808-E811 VanDerWaalsContact O-CB 3.24Å; L808-E811 WeakPolarHBondContact O-CB 3.28Å; L808-E811 PolarHBondContact O-N 2.81Å
809Q88.3Confident96.5Very high105 Ų10530.1 Ų30.149%0.49115%0.152SC..THydrogen-bonded Turntrans-58.2137.6169.4-171.7175.914.300109.8E811 M835Q809-E811 PolarHBondContact O-N 2.78Å; Q809-E811 VanDerWaalsContact O-N 3.17Å; Q809-M835 WeakPolarHBondContact O-CE 3.26Å
810N91.6Very high96.6Very high36 Ų3634.4 Ų34.419%0.19317%0.17CC..THydrogen-bonded Turntrans63.17.6-174.1-56.8-11.3000114.8L808 M835 V836 Y837L808-N810 PolarHBondContact O-N 2.75Å; N810-M835 HydrophobicContact CB-CE 4.33Å; N810-M835 WeakPolarHBondContact O-CA 3.18Å; N810-V836 WeakPolarHBondContact CB-O 3.47Å; N810-V836 PolarHBondContact O-N 2.74Å; N810-Y837 HydrophobicContact CB-CE1 4.26Å
811E95.6Very high96.6Very high2 Ų229.1 Ų29.11%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-92.5107.3175.6-173.9175-158.600110.9F807 L808 Q809 T833 A834 M835 R847F807-E811 HydrophobicContact CB-CB 4.11Å; F807-E811 HydrophobicContact CB-CG 4.06Å; F807-E811 HydrophobicContact CD1-CG 4.46Å; L808-E811 HydrophobicContact CB-CB 3.91Å; L808-E811 WeakPolarHBondContact CB-OE2 3.5Å; L808-E811 WeakPolarHBondContact CG-OE2 3.17Å; L808-E811 PolarHBondContact N-OE2 2.81Å; L808-E811 VanDerWaalsContact O-CB 3.24Å; L808-E811 WeakPolarHBondContact O-CB 3.28Å; L808-E811 PolarHBondContact O-N 2.81Å; Q809-E811 PolarHBondContact O-N 2.78Å; Q809-E811 VanDerWaalsContact O-N 3.17Å; E811-T833 HydrophobicContact CG-CG2 4.14Å; E811-T833 WeakPolarHBondContact OE1-CB 3.5Å; E811-T833 WeakPolarHBondContact OE1-CG2 3.48Å; E811-T833 PolarHBondContact OE1-OG1 3.23Å; E811-A834 CarbonylContact C-O 3.5Å; E811-A834 WeakPolarHBondContact CA-O 3.3Å; E811-M835 HydrophobicContact CB-CE 4.41Å; E811-M835 HydrophobicContact CB-SD 3.7Å; E811-M835 HydrophobicContact CG-SD 3.98Å; E811-R847 VanDerWaalsContact CD-NH2 3.34Å; E811-R847 WeakPolarHBondContact OE1-CG 3.38Å; E811-R847 IonicContact OE1-CZ 2.65Å; E811-R847 IonicContact OE1-NE 3.81Å; E811-R847 PolarHBondContact OE1-NE 2.78Å; E811-R847 IonicContact OE1-NH2 3.08Å; E811-R847 PolarHBondContact OE1-NH2 3.36Å; E811-R847 VanDerWaalsContact OE1-NH2 3.1Å; E811-R847 IonicContact OE2-CZ 3.47Å; E811-R847 IonicContact OE2-NE 3.91Å; E811-R847 IonicContact OE2-NH2 2.89Å; E811-R847 PolarHBondContact OE2-NH2 3.27Å
812Y97.3Very high96.4Very high60 Ų6030.4 Ų30.424%0.23516%0.163CC..EExtended strand (participates in β ladder)trans-91121.9-179.5-78.1-119.6000109.6E787 H789 T833 A834 V836E787-Y812 WeakPolarHBondContact OE2-CE1 3.28Å; E787-Y812 PolarHBondContact OE2-OH 3.23Å; H789-Y812 AromaticContact CE1-CD1 3.65Å; H789-Y812 AromaticContact NE2-CD1 3.14Å; H789-Y812 WeakPolarHBondContact NE2-CD1 3.3Å; H789-Y812 AromaticContact NE2-CE1 3.46Å; H789-Y812 WeakPolarHBondContact NE2-CE1 3.25Å; H789-Y812 AromaticContact NE2-CG 3.49Å; Y812-T833 CarbonylContact O-C 3.57Å; Y812-T833 WeakPolarHBondContact O-CA 3.1Å; Y812-T833 WeakPolarHBondContact O-CB 3.3Å; Y812-A834 PolarHBondContact N-O 2.98Å; Y812-A834 PolarHBondContact O-N 2.86Å; Y812-V836 HydrophobicContact CD1-CG2 4.21Å; Y812-V836 HydrophobicContact CD2-CB 3.64Å; Y812-V836 HydrophobicContact CD2-CG2 3.46Å; Y812-V836 VanDerWaalsContact CD2-CG2 3.46Å; Y812-V836 HydrophobicContact CE2-CB 3.78Å; Y812-V836 HydrophobicContact CE2-CG1 4.41Å; Y812-V836 HydrophobicContact CE2-CG2 4.06Å; Y812-V836 HydrophobicContact CG-CB 4.25Å; Y812-V836 HydrophobicContact CG-CG2 3.57Å
813A98.1Very high96.1Very high2 Ų239.1 Ų39.12%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-84.1118.5172.100000110L736 H789 F807 V831L736-A813 HydrophobicContact CD1-CB 3.82Å; L736-A813 HydrophobicContact CD2-CB 3.99Å; L736-A813 HydrophobicContact CG-CB 4.36Å; H789-A813 HydrophobicContact CB-CB 4.04Å; H789-A813 PolarHBondContact ND1-N 2.8Å; F807-A813 HydrophobicContact CD2-CB 3.92Å; F807-A813 HydrophobicContact CE2-CB 3.76Å; F807-A813 HydrophobicContact CZ-CB 4.41Å; A813-V831 HydrophobicContact CB-CG1 4.01Å
814L98.1Very high95.9Very high41 Ų4139.9 Ų39.922%0.21520%0.204CC..EExtended strand (participates in β ladder)trans-114.1-35.5-166.3-62.3-179.3000113.9G832 A834 A869 V870 Y871L814-G832 PolarHBondContact N-O 3.09Å; L814-A834 HydrophobicContact CD1-CB 3.62Å; L814-A834 HydrophobicContact CG-CB 4.44Å; L814-A869 HydrophobicContact CD1-CB 3.65Å; L814-V870 WeakPolarHBondContact CB-O 3.02Å; L814-Y871 HydrophobicContact CD1-CD1 4.32Å; L814-Y871 HydrophobicContact CD1-CE1 4.34Å
815S98.4Very high95.7Very high4 Ų444.4 Ų44.43%0.02823%0.233CC..EExtended strand (participates in β ladder)trans-136.5147.4-177.8520000111.8V831 G832 V870S815-V831 WeakPolarHBondContact O-CA 3.47Å; S815-G832 PolarHBondContact N-O 3.27Å; S815-G832 PolarHBondContact O-N 3.45Å; S815-V870 PolarHBondContact OG-O 2.67Å
816L98.6Very high95.6Very high20 Ų2046.6 Ų46.611%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-141.6135.2-177.717566.5000109.6K723 C725 G734 L736 L791 F829 I830 V831K723-L816 HydrophobicContact CB-CB 3.95Å; C725-L816 HydrophobicContact CB-CD2 4.43Å; C725-L816 HydrophobicContact CB-CG 4.4Å; C725-L816 VanDerWaalsContact SG-CG 3.56Å; G734-L816 WeakPolarHBondContact O-CD2 3.19Å; L736-L816 HydrophobicContact CD1-CB 3.85Å; L736-L816 HydrophobicContact CG-CB 3.93Å; L736-L816 HydrophobicContact CG-CD2 4.14Å; L736-L816 HydrophobicContact CG-CG 4.49Å; L791-L816 HydrophobicContact CD1-CD1 4.14Å; L791-L816 HydrophobicContact CD1-CD2 4.43Å; L816-F829 HydrophobicContact CD1-CD1 4.45Å; L816-I830 WeakPolarHBondContact CA-O 3.48Å; L816-V831 HydrophobicContact CD1-CG2 3.86Å
817V98.2Very high95.6Very high21 Ų2144.8 Ų44.813%0.12724%0.238CC..EExtended strand (participates in β ladder)trans-141.4147.2170.865.60000110.3C819 I830 M873 L880V817-C819 HydrophobicContact CG2-CB 4.35Å; V817-I830 HydrophobicContact CG1-CB 3.89Å; V817-I830 HydrophobicContact CG1-CD1 4.4Å; V817-I830 HydrophobicContact CG1-CG1 4.48Å; V817-I830 PolarHBondContact N-O 2.78Å; V817-I830 PolarHBondContact O-N 2.97Å; V817-M873 HydrophobicContact CG1-CB 4.13Å; V817-M873 HydrophobicContact CG1-CE 4.37Å; V817-L880 HydrophobicContact CG1-CD1 4.06Å
818S97.9Very high95.6Very high28 Ų2844.7 Ų44.720%0.19624%0.238CC..EExtended strand (participates in β ladder)trans-111.7115.8169.2171.90000108.7C725 Q727 Y828C725-S818 VanDerWaalsContact SG-CB 3.59Å; Q727-S818 VanDerWaalsContact CB-OG 3.31Å; Q727-S818 WeakPolarHBondContact CB-OG 3.43Å; Q727-S818 WeakPolarHBondContact CG-OG 3.5Å; Q727-S818 PolarHBondContact NE2-OG 3.43Å; S818-Y828 VanDerWaalsContact CA-O 3.31Å; S818-Y828 WeakPolarHBondContact CA-O 3.47Å
819C97.2Very high95.9Very high11 Ų1142.6 Ų42.67%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-157.1166.9-177.365.40000113.8V817 Y828 E875V817-C819 HydrophobicContact CG2-CB 4.35Å; C819-Y828 PolarHBondContact N-O 2.9Å; C819-Y828 VanDerWaalsContact N-O 3.1Å; C819-Y828 PolarHBondContact O-N 2.87Å; C819-E875 HydrophobicContact CB-CB 3.58Å; C819-E875 HydrophobicContact CB-CG 3.8Å
820K96.6Very high96.4Very high103 Ų10337.6 Ų37.645%0.44820%0.203SC..EExtended strand (participates in β ladder)trans-96.5145.3168.4-62.5-169.8179-171.20109.3P825 T827K820-P825 WeakPolarHBondContact CE-O 3.08Å; K820-P825 PolarHBondContact NZ-O 3.38Å; K820-T827 WeakPolarHBondContact CE-OG1 3.1Å; K820-T827 HydrophobicContact CG-CG2 4.36Å
821L96.3Very high96.7Very high0 Ų035.9 Ų35.90%019%0.194CC..  trans-119.4128-178.8-62.1177.1000111.2K823 D824 I830 L880 W893 L899L821-K823 PolarHBondContact O-N 2.89Å; L821-D824 WeakPolarHBondContact O-CB 3.45Å; L821-D824 PolarHBondContact O-N 2.91Å; L821-D824 VanDerWaalsContact O-N 3.07Å; L821-I830 HydrophobicContact CD1-CD1 3.77Å; L821-I830 HydrophobicContact CD2-CD1 4.32Å; L821-I830 HydrophobicContact CG-CD1 4.24Å; L821-L880 HydrophobicContact CD2-CB 4.17Å; L821-W893 HydrophobicContact CB-CB 3.54Å; L821-W893 HydrophobicContact CB-CD2 4.09Å; L821-W893 HydrophobicContact CB-CG 3.47Å; L821-W893 VanDerWaalsContact CB-CG 3.47Å; L821-W893 HydrophobicContact CD1-CB 4.12Å; L821-W893 HydrophobicContact CD1-CD2 3.66Å; L821-W893 HydrophobicContact CD1-CE3 3.68Å; L821-W893 HydrophobicContact CD1-CG 3.89Å; L821-W893 HydrophobicContact CD1-CZ3 4.26Å; L821-W893 HydrophobicContact CG-CB 4.4Å; L821-W893 HydrophobicContact CG-CG 4.36Å; L821-L899 HydrophobicContact CD1-CD2 4.46Å
822G92.2Very high96.8Very high49 Ų4935.8 Ų35.851%0.50519%0.194SC..THydrogen-bonded Turntrans59.2-126.5178.400000112.1G878G822-G878 WeakPolarHBondContact CA-O 3.19Å; G822-G878 PolarHBondContact N-O 3.45Å
823K91.9Very high96.9Very high216 Ų21633 Ų3394%0.93918%0.183SC*.THydrogen-bonded Turntrans-99.58.4175.6-62.4-178.9-178.8176.20112.6L821 P825L821-K823 PolarHBondContact O-N 2.89Å; K823-P825 WeakPolarHBondContact O-CD 2.9Å
824D94.4Very high96.9Very high26 Ų2632.9 Ų32.914%0.13918%0.182CC..  trans-70.4123.4179.2-164.2-27.1000109.2L821 N826 Y828 W893 K897L821-D824 WeakPolarHBondContact O-CB 3.45Å; L821-D824 PolarHBondContact O-N 2.91Å; L821-D824 VanDerWaalsContact O-N 3.07Å; D824-N826 PolarHBondContact O-N 2.76Å; D824-N826 WeakPolarHBondContact OD1-CB 3.45Å; D824-N826 PolarHBondContact OD1-N 2.76Å; D824-N826 PolarHBondContact OD1-ND2 3.48Å; D824-Y828 HydrophobicContact CB-CE2 4.48Å; D824-Y828 VanDerWaalsContact CG-OH 3.31Å; D824-Y828 PolarHBondContact OD2-OH 2.99Å; D824-W893 PolarHBondContact OD2-NE1 2.83Å; D824-K897 IonicContact OD2-NZ 3.92Å
825P93.4Very high96.7Very high99 Ų9931.1 Ų31.164%0.64317%0.173SC*.  trans-69-19.4179.528.2-36.2000113.1K820 K823K820-P825 WeakPolarHBondContact CE-O 3.08Å; K820-P825 PolarHBondContact NZ-O 3.38Å; K823-P825 WeakPolarHBondContact O-CD 2.9Å
826N95.9Very high96.5Very high52 Ų5233.4 Ų33.428%0.27819%0.186SC..  trans-73.3142.7-178.1-59.9-62.4000111.2D824 Y828 Q852D824-N826 PolarHBondContact O-N 2.76Å; D824-N826 WeakPolarHBondContact OD1-CB 3.45Å; D824-N826 PolarHBondContact OD1-N 2.76Å; D824-N826 PolarHBondContact OD1-ND2 3.48Å; N826-Y828 HydrophobicContact CB-CE1 4.01Å; N826-Y828 HydrophobicContact CB-CE2 4Å; N826-Q852 PolarHBondContact OD1-NE2 3.15Å
827T96.9Very high96.2Very high20 Ų2034.5 Ų34.512%0.12319%0.189CC..EExtended strand (participates in β ladder)trans-99.1137.8169.7-47.40000108.5Q727 K820Q727-T827 HydrophobicContact CG-CG2 3.93Å; K820-T827 WeakPolarHBondContact CE-OG1 3.1Å; K820-T827 HydrophobicContact CG-CG2 4.36Å
828Y98.2Very high95.6Very high0 Ų039.6 Ų39.60%022%0.223CC..EExtended strand (participates in β ladder)trans-120.6147.1-175.2-60-71.5000111S818 C819 D824 N826 V850 F851 Q852 V861 W893 K897S818-Y828 VanDerWaalsContact CA-O 3.31Å; S818-Y828 WeakPolarHBondContact CA-O 3.47Å; C819-Y828 PolarHBondContact N-O 2.9Å; C819-Y828 VanDerWaalsContact N-O 3.1Å; C819-Y828 PolarHBondContact O-N 2.87Å; D824-Y828 HydrophobicContact CB-CE2 4.48Å; D824-Y828 VanDerWaalsContact CG-OH 3.31Å; D824-Y828 PolarHBondContact OD2-OH 2.99Å; N826-Y828 HydrophobicContact CB-CE1 4.01Å; N826-Y828 HydrophobicContact CB-CE2 4Å; Y828-V850 HydrophobicContact CD1-CG1 3.86Å; Y828-V850 HydrophobicContact CD2-CG1 4.34Å; Y828-V850 HydrophobicContact CG-CG1 3.71Å; Y828-F851 CarbonylContact C-O 3.56Å; Y828-F851 VanDerWaalsContact CA-O 3.31Å; Y828-F851 WeakPolarHBondContact CA-O 3.34Å; Y828-F851 WeakPolarHBondContact CB-O 3.24Å; Y828-Q852 HydrophobicContact CD1-CB 3.88Å; Y828-Q852 HydrophobicContact CD1-CG 4.4Å; Y828-Q852 HydrophobicContact CE1-CB 3.94Å; Y828-Q852 HydrophobicContact CE1-CG 4.25Å; Y828-V861 HydrophobicContact CD1-CG2 4.26Å; Y828-V861 HydrophobicContact CE1-CB 4.45Å; Y828-V861 HydrophobicContact CE1-CG1 4.25Å; Y828-V861 HydrophobicContact CE1-CG2 3.93Å; Y828-W893 HydrophobicContact CE2-CZ2 4.12Å; Y828-K897 WeakPolarHBondContact OH-CE 3.47Å; Y828-K897 PolarHBondContact OH-NZ 3.46Å
829F98.5Very high95.1Very high0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-88.3123.6160.1-69.4-72.9000108Q727 I793 L816 F851Q727-F829 HydrophobicContact CB-CE1 3.79Å; Q727-F829 HydrophobicContact CB-CE2 4.18Å; Q727-F829 HydrophobicContact CB-CZ 3.42Å; Q727-F829 VanDerWaalsContact CB-CZ 3.42Å; Q727-F829 HydrophobicContact CG-CZ 4.21Å; I793-F829 HydrophobicContact CD1-CD2 3.92Å; I793-F829 HydrophobicContact CD1-CE2 3.8Å; I793-F829 HydrophobicContact CD1-CG 4.5Å; I793-F829 HydrophobicContact CD1-CZ 4.28Å; L816-F829 HydrophobicContact CD1-CD1 4.45Å; F829-F851 HydrophobicContact CB-CB 4.31Å; F829-F851 PolarHBondContact N-O 3.32Å; F829-F851 PolarHBondContact O-N 3.34Å
830I98.6Very high94.9Very high0 Ų045.7 Ų45.70%025%0.247CC..EExtended strand (participates in β ladder)trans-118.4124.8-177.4-51.5175.5000108.2L816 V817 L821 I848 V849 V850 M873 L880L816-I830 WeakPolarHBondContact CA-O 3.48Å; V817-I830 HydrophobicContact CG1-CB 3.89Å; V817-I830 HydrophobicContact CG1-CD1 4.4Å; V817-I830 HydrophobicContact CG1-CG1 4.48Å; V817-I830 PolarHBondContact N-O 2.78Å; V817-I830 PolarHBondContact O-N 2.97Å; L821-I830 HydrophobicContact CD1-CD1 3.77Å; L821-I830 HydrophobicContact CD2-CD1 4.32Å; L821-I830 HydrophobicContact CG-CD1 4.24Å; I830-I848 HydrophobicContact CG2-CG2 3.46Å; I830-I848 VanDerWaalsContact CG2-CG2 3.46Å; I830-V849 WeakPolarHBondContact CA-O 3.4Å; I830-V850 HydrophobicContact CG1-CG1 4.26Å; I830-V850 HydrophobicContact CG1-CG2 4.29Å; I830-V850 HydrophobicContact CG2-CG2 4.19Å; I830-M873 HydrophobicContact CB-CE 4.39Å; I830-M873 HydrophobicContact CG2-CE 3.98Å; I830-M873 HydrophobicContact CG2-SD 4.04Å; I830-M873 WeakPolarHBondContact O-CE 3.04Å; I830-L880 HydrophobicContact CD1-CD1 4.01Å; I830-L880 HydrophobicContact CD1-CD2 4.36Å; I830-L880 HydrophobicContact CG2-CD1 4.47Å; I830-L880 HydrophobicContact CG2-CD2 3.91Å
831V98.7Very high94.5Very high0 Ų046.3 Ų46.30%027%0.272CS..EExtended strand (participates in β ladder)trans-114.8130-177.8-175.40000110.4L736 L791 F807 A813 S815 L816 T833 I848 V849 F851L736-V831 HydrophobicContact CD1-CG1 4.22Å; L736-V831 HydrophobicContact CD2-CG1 3.97Å; L736-V831 HydrophobicContact CD2-CG2 4.06Å; L791-V831 HydrophobicContact CD2-CG2 4Å; F807-V831 HydrophobicContact CE1-CG1 4.24Å; F807-V831 HydrophobicContact CE2-CG1 4.28Å; F807-V831 HydrophobicContact CZ-CB 4.09Å; F807-V831 HydrophobicContact CZ-CG1 3.64Å; F807-V831 HydrophobicContact CZ-CG2 4.19Å; A813-V831 HydrophobicContact CB-CG1 4.01Å; S815-V831 WeakPolarHBondContact O-CA 3.47Å; L816-V831 HydrophobicContact CD1-CG2 3.86Å; V831-T833 HydrophobicContact CG1-CG2 3.92Å; V831-I848 CarbonylContact O-C 3.55Å; V831-I848 WeakPolarHBondContact O-CA 3.27Å; V831-V849 PolarHBondContact N-O 3.45Å; V831-V849 PolarHBondContact O-N 2.97Å; V831-F851 HydrophobicContact CB-CE2 4.35Å; V831-F851 HydrophobicContact CG2-CD2 4.14Å; V831-F851 HydrophobicContact CG2-CE2 3.98Å
832G98.5Very high94.3Very high0 Ų051 Ų510%029%0.294CS..EExtended strand (participates in β ladder)trans-102127.4172.600000110L814 S815L814-G832 PolarHBondContact N-O 3.09Å; S815-G832 PolarHBondContact N-O 3.27Å; S815-G832 PolarHBondContact O-N 3.45Å
833T98.1Very high94.4Very high0 Ų049.6 Ų49.60%028%0.276CS..EExtended strand (participates in β ladder)trans-123167.6-174.9740000112.7F807 E811 Y812 V831 G846 R847F807-T833 HydrophobicContact CD1-CG2 4.11Å; F807-T833 HydrophobicContact CE1-CG2 3.99Å; E811-T833 HydrophobicContact CG-CG2 4.14Å; E811-T833 WeakPolarHBondContact OE1-CB 3.5Å; E811-T833 WeakPolarHBondContact OE1-CG2 3.48Å; E811-T833 PolarHBondContact OE1-OG1 3.23Å; Y812-T833 CarbonylContact O-C 3.57Å; Y812-T833 WeakPolarHBondContact O-CA 3.1Å; Y812-T833 WeakPolarHBondContact O-CB 3.3Å; V831-T833 HydrophobicContact CG1-CG2 3.92Å; T833-G846 VanDerWaalsContact O-CA 3.29Å; T833-G846 WeakPolarHBondContact O-CA 3.47Å; T833-R847 PolarHBondContact N-O 2.84Å; T833-R847 PolarHBondContact O-N 3.06Å; T833-R847 WeakPolarHBondContact OG1-CG 3.43Å; T833-R847 PolarHBondContact OG1-N 3.27Å; T833-R847 PolarHBondContact OG1-O 3.37Å
834A97.4Very high94.5Very high0 Ų045.2 Ų45.20%026%0.256CS..EExtended strand (participates in β ladder)trans-137.7142.117100000110.2E811 Y812 L814 V836 P843 A869E811-A834 CarbonylContact C-O 3.5Å; E811-A834 WeakPolarHBondContact CA-O 3.3Å; Y812-A834 PolarHBondContact N-O 2.98Å; Y812-A834 PolarHBondContact O-N 2.86Å; L814-A834 HydrophobicContact CD1-CB 3.62Å; L814-A834 HydrophobicContact CG-CB 4.44Å; A834-V836 HydrophobicContact CB-CG2 4.28Å; A834-P843 HydrophobicContact CB-CB 3.96Å; A834-P843 HydrophobicContact CB-CG 4.21Å; A834-A869 HydrophobicContact CB-CB 3.55Å
835M95.7Very high94.6Very high5 Ų547.8 Ų47.83%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-87.5112.3166.3-60.1-57.4-62.200108.1F771 Q809 N810 E811 Y837 Q845F771-M835 HydrophobicContact CD1-CG 3.93Å; F771-M835 HydrophobicContact CD1-SD 4.36Å; F771-M835 HydrophobicContact CD2-SD 4.26Å; F771-M835 HydrophobicContact CE1-CG 3.62Å; F771-M835 HydrophobicContact CE1-SD 4.39Å; F771-M835 HydrophobicContact CE2-CG 4.36Å; F771-M835 HydrophobicContact CE2-SD 4.25Å; F771-M835 HydrophobicContact CG-CG 4.45Å; F771-M835 HydrophobicContact CG-SD 4.3Å; F771-M835 HydrophobicContact CZ-CG 3.85Å; F771-M835 HydrophobicContact CZ-SD 4.33Å; Q809-M835 WeakPolarHBondContact O-CE 3.26Å; N810-M835 HydrophobicContact CB-CE 4.33Å; N810-M835 WeakPolarHBondContact O-CA 3.18Å; E811-M835 HydrophobicContact CB-CE 4.41Å; E811-M835 HydrophobicContact CB-SD 3.7Å; E811-M835 HydrophobicContact CG-SD 3.98Å; M835-Y837 HydrophobicContact CB-CD2 4.4Å; M835-Y837 HydrophobicContact CB-CE2 3.63Å; M835-Y837 WeakPolarHBondContact CE-OH 3.17Å; M835-Q845 HydrophobicContact CB-CB 4.19Å; M835-Q845 HydrophobicContact CG-CB 4.19Å; M835-Q845 PolarHBondContact N-O 2.98Å
836V93.7Very high94.7Very high51 Ų5143 Ų4331%0.30924%0.237SC..  trans-103.7117.7-175.4-176.80000109N810 Y812 A834 P843N810-V836 WeakPolarHBondContact CB-O 3.47Å; N810-V836 PolarHBondContact O-N 2.74Å; Y812-V836 HydrophobicContact CD1-CG2 4.21Å; Y812-V836 HydrophobicContact CD2-CB 3.64Å; Y812-V836 HydrophobicContact CD2-CG2 3.46Å; Y812-V836 VanDerWaalsContact CD2-CG2 3.46Å; Y812-V836 HydrophobicContact CE2-CB 3.78Å; Y812-V836 HydrophobicContact CE2-CG1 4.41Å; Y812-V836 HydrophobicContact CE2-CG2 4.06Å; Y812-V836 HydrophobicContact CG-CB 4.25Å; Y812-V836 HydrophobicContact CG-CG2 3.57Å; A834-V836 HydrophobicContact CB-CG2 4.28Å; V836-P843 HydrophobicContact CG2-CG 4.14Å
837Y92.2Very high94.7Very high44 Ų4440.6 Ų40.617%0.17322%0.224CC..  trans-120.4136.2177.1-57.5-78.4000110.3T775 N810 M835 E839 E840T775-Y837 HydrophobicContact CG2-CE1 4.45Å; N810-Y837 HydrophobicContact CB-CE1 4.26Å; M835-Y837 HydrophobicContact CB-CD2 4.4Å; M835-Y837 HydrophobicContact CB-CE2 3.63Å; M835-Y837 WeakPolarHBondContact CE-OH 3.17Å; Y837-E839 VanDerWaalsContact CB-CD 3.48Å; Y837-E839 VanDerWaalsContact CB-OE1 3.29Å; Y837-E839 WeakPolarHBondContact CB-OE1 3.4Å; Y837-E839 WeakPolarHBondContact CB-OE2 3.31Å; Y837-E839 PolarHBondContact O-N 3.44Å; Y837-E839 VanDerWaalsContact O-N 3.12Å; Y837-E840 PolarHBondContact O-N 3.46Å
838P85Confident94.8Very high128 Ų12839.6 Ų39.683%0.83122%0.218SC*.THydrogen-bonded Turntrans-57.9-27-175.3-26.634.9000115.2E840P838-E840 VanDerWaalsContact C-N 3.28Å; P838-E840 PolarHBondContact O-N 3.17Å
839E88.7Confident94.8Very high126 Ų12639.6 Ų39.659%0.58922%0.218SC*.THydrogen-bonded Turntrans-77.4-10.8177.671.5-81.1-172.100114.1Y837Y837-E839 VanDerWaalsContact CB-CD 3.48Å; Y837-E839 VanDerWaalsContact CB-OE1 3.29Å; Y837-E839 WeakPolarHBondContact CB-OE1 3.4Å; Y837-E839 WeakPolarHBondContact CB-OE2 3.31Å; Y837-E839 PolarHBondContact O-N 3.44Å; Y837-E839 VanDerWaalsContact O-N 3.12Å
840E91.2Very high94.8Very high40 Ų4039.6 Ų39.619%0.18722%0.218CC..  trans-100122.8-178.8-57.2-162.314200111.1Y837 P838 E842 K844Y837-E840 PolarHBondContact O-N 3.46Å; P838-E840 VanDerWaalsContact C-N 3.28Å; P838-E840 PolarHBondContact O-N 3.17Å; E840-E842 WeakPolarHBondContact CB-O 3.35Å; E840-E842 PolarHBondContact O-N 3.34Å; E840-K844 VanDerWaalsContact OE1-CD 3.26Å; E840-K844 WeakPolarHBondContact OE1-CD 3.45Å; E840-K844 WeakPolarHBondContact OE1-CE 3.33Å; E840-K844 WeakPolarHBondContact OE1-CG 3.48Å; E840-K844 IonicContact OE1-NZ 3.91Å; E840-K844 PolarHBondContact OE1-NZ 2.96Å; E840-K844 PolarHBondContact OE2-N 2.68Å; E840-K844 VanDerWaalsContact OE2-N 3.11Å
841A89.5Confident94.7Very high117 Ų11739.7 Ų39.797%0.96722%0.218SC*.SBendtrans-67.7-25173.800000113
842E91.2Very high94.7Very high99 Ų9941.3 Ų41.346%0.46323%0.226SC..SBendtrans-141.7142.5172.162.4176.9-173.400109.1E840 K844E840-E842 WeakPolarHBondContact CB-O 3.35Å; E840-E842 PolarHBondContact O-N 3.34Å; E842-K844 PolarHBondContact O-N 3.09Å
843P94.7Very high94.6Very high19 Ų1942.9 Ų42.912%0.12323%0.232CC..  trans-59.8126.3177.1-25.736.4000111A834 V836 G868 A869 N885A834-P843 HydrophobicContact CB-CB 3.96Å; A834-P843 HydrophobicContact CB-CG 4.21Å; V836-P843 HydrophobicContact CG2-CG 4.14Å; P843-G868 WeakPolarHBondContact O-CA 3.33Å; P843-A869 HydrophobicContact CB-CB 4.09Å; P843-A869 HydrophobicContact CG-CB 4.05Å; P843-N885 PolarHBondContact O-ND2 3.01Å; P843-N885 VanDerWaalsContact O-ND2 3.07Å
844K94.6Very high94.5Very high123 Ų12344.7 Ų44.754%0.53524%0.244SC..  trans-90-17178.3-62.6-170.4-162.2113.50113.9E840 E842 K867 G868E840-K844 VanDerWaalsContact OE1-CD 3.26Å; E840-K844 WeakPolarHBondContact OE1-CD 3.45Å; E840-K844 WeakPolarHBondContact OE1-CE 3.33Å; E840-K844 WeakPolarHBondContact OE1-CG 3.48Å; E840-K844 IonicContact OE1-NZ 3.91Å; E840-K844 PolarHBondContact OE1-NZ 2.96Å; E840-K844 PolarHBondContact OE2-N 2.68Å; E840-K844 VanDerWaalsContact OE2-N 3.11Å; E842-K844 PolarHBondContact O-N 3.09Å; K844-K867 CarbonylContact O-C 3.55Å; K844-K867 WeakPolarHBondContact O-CA 3.47Å; K844-G868 PolarHBondContact O-N 2.89Å
845Q95.1Very high94.2Very high80 Ų8052.3 Ų52.337%0.37429%0.285SS..BIsolated β-bridgetrans-131.5148.1-175.3-65.2179.30.200110.5F771 M835F771-Q845 HydrophobicContact CE1-CB 4.06Å; M835-Q845 HydrophobicContact CB-CB 4.19Å; M835-Q845 HydrophobicContact CG-CB 4.19Å; M835-Q845 PolarHBondContact N-O 2.98Å
846G96.5Very high93.9Very high0 Ų054 Ų540%030%0.304CS..EExtended strand (participates in β ladder)trans-164.9177.9173.200000109.9T833 V866 G868T833-G846 VanDerWaalsContact O-CA 3.29Å; T833-G846 WeakPolarHBondContact O-CA 3.47Å; G846-V866 VanDerWaalsContact C-CG2 3.45Å; G846-V866 PolarHBondContact N-O 3.43Å; G846-V866 WeakPolarHBondContact O-CG2 3.2Å; G846-V866 PolarHBondContact O-N 3.43Å; G846-V866 VanDerWaalsContact O-O 3.1Å; G846-G868 WeakPolarHBondContact CA-O 3.34Å; G846-G868 PolarHBondContact N-O 2.7Å
847R96.5Very high93.9Very high0 Ų058.2 Ų58.20%032%0.318CS..EExtended strand (participates in β ladder)trans-146.7160.9172.357171.3176154.713.5112.4S766 F771 E811 T833 V849 E863 K864S766-R847 PolarHBondContact OG-NH2 2.86Å; F771-R847 HydrophobicContact CE2-CB 4.44Å; F771-R847 HydrophobicContact CE2-CG 3.97Å; F771-R847 HydrophobicContact CZ-CG 4.45Å; E811-R847 VanDerWaalsContact CD-NH2 3.34Å; E811-R847 WeakPolarHBondContact OE1-CG 3.38Å; E811-R847 IonicContact OE1-CZ 2.65Å; E811-R847 IonicContact OE1-NE 3.81Å; E811-R847 PolarHBondContact OE1-NE 2.78Å; E811-R847 IonicContact OE1-NH2 3.08Å; E811-R847 PolarHBondContact OE1-NH2 3.36Å; E811-R847 VanDerWaalsContact OE1-NH2 3.1Å; E811-R847 IonicContact OE2-CZ 3.47Å; E811-R847 IonicContact OE2-NE 3.91Å; E811-R847 IonicContact OE2-NH2 2.89Å; E811-R847 PolarHBondContact OE2-NH2 3.27Å; T833-R847 PolarHBondContact N-O 2.84Å; T833-R847 PolarHBondContact O-N 3.06Å; T833-R847 WeakPolarHBondContact OG1-CG 3.43Å; T833-R847 PolarHBondContact OG1-N 3.27Å; T833-R847 PolarHBondContact OG1-O 3.37Å; R847-V849 HydrophobicContact CG-CG2 3.95Å; R847-E863 IonicContact NH1-OE1 3.95Å; R847-E863 PolarHBondContact NH1-OE1 3.46Å; R847-E863 VanDerWaalsContact NH1-OE1 3.08Å; R847-E863 IonicContact NH1-OE2 2.86Å; R847-E863 PolarHBondContact NH1-OE2 2.59Å; R847-K864 CarbonylContact C-O 3.55Å; R847-K864 WeakPolarHBondContact CA-O 3.23Å; R847-K864 WeakPolarHBondContact CB-O 3.28Å
848I98.2Very high94.2Very high0 Ų057 Ų570%032%0.315CS..EExtended strand (participates in β ladder)trans-107.5122.8167.8-58.3172.7000107.1I830 V831 E863 K864 V866 V870 M873 L880 A882 Y891 L899I830-I848 HydrophobicContact CG2-CG2 3.46Å; I830-I848 VanDerWaalsContact CG2-CG2 3.46Å; V831-I848 CarbonylContact O-C 3.55Å; V831-I848 WeakPolarHBondContact O-CA 3.27Å; I848-E863 CarbonylContact O-C 3.54Å; I848-E863 WeakPolarHBondContact O-CA 3.41Å; I848-K864 HydrophobicContact CB-CB 4.3Å; I848-K864 PolarHBondContact N-O 2.77Å; I848-K864 PolarHBondContact O-N 3.21Å; I848-V866 HydrophobicContact CD1-CG1 4.3Å; I848-V866 HydrophobicContact CG1-CG1 4.35Å; I848-V870 HydrophobicContact CG1-CG1 4.35Å; I848-V870 HydrophobicContact CG1-CG2 4.01Å; I848-M873 HydrophobicContact CD1-SD 4.49Å; I848-M873 HydrophobicContact CG1-SD 4.34Å; I848-M873 HydrophobicContact CG2-SD 4.08Å; I848-L880 HydrophobicContact CD1-CD2 4.3Å; I848-L880 HydrophobicContact CG2-CD2 3.86Å; I848-A882 HydrophobicContact CD1-CB 4.23Å; I848-Y891 HydrophobicContact CD1-CD2 4.16Å; I848-Y891 HydrophobicContact CD1-CE2 3.53Å; I848-L899 HydrophobicContact CB-CD1 4.15Å; I848-L899 HydrophobicContact CG2-CD1 3.64Å
849V97.7Very high94.7Very high0 Ų055.9 Ų55.90%030%0.298CS..EExtended strand (participates in β ladder)trans-114.3124.8-179.4-169.70000108.9I830 V831 R847 F851 T860 E863I830-V849 WeakPolarHBondContact CA-O 3.4Å; V831-V849 PolarHBondContact N-O 3.45Å; V831-V849 PolarHBondContact O-N 2.97Å; R847-V849 HydrophobicContact CG-CG2 3.95Å; V849-F851 HydrophobicContact CB-CD2 4.46Å; V849-F851 HydrophobicContact CB-CE2 3.78Å; V849-F851 HydrophobicContact CB-CZ 4.12Å; V849-F851 HydrophobicContact CG1-CD1 4.46Å; V849-F851 HydrophobicContact CG1-CD2 4.03Å; V849-F851 HydrophobicContact CG1-CE1 3.9Å; V849-F851 HydrophobicContact CG1-CE2 3.41Å; V849-F851 VanDerWaalsContact CG1-CE2 3.41Å; V849-F851 HydrophobicContact CG1-CZ 3.33Å; V849-T860 HydrophobicContact CG1-CG2 3.75Å; V849-E863 HydrophobicContact CG1-CG 4.25Å
850V98.1Very high95Very high0 Ų053 Ų530%029%0.29CS..EExtended strand (participates in β ladder)trans-102.7118.2179.5-177.40000108.4Y828 I830 V861 A862 W893 L899Y828-V850 HydrophobicContact CD1-CG1 3.86Å; Y828-V850 HydrophobicContact CD2-CG1 4.34Å; Y828-V850 HydrophobicContact CG-CG1 3.71Å; I830-V850 HydrophobicContact CG1-CG1 4.26Å; I830-V850 HydrophobicContact CG1-CG2 4.29Å; I830-V850 HydrophobicContact CG2-CG2 4.19Å; V850-V861 HydrophobicContact CG1-CB 4.29Å; V850-V861 PolarHBondContact O-N 3.32Å; V850-A862 HydrophobicContact CB-CB 4.08Å; V850-A862 HydrophobicContact CG2-CB 4.15Å; V850-A862 PolarHBondContact N-O 3.37Å; V850-A862 PolarHBondContact O-N 3.19Å; V850-W893 HydrophobicContact CB-CH2 4.33Å; V850-W893 HydrophobicContact CG1-CH2 3.95Å; V850-W893 HydrophobicContact CG1-CZ3 4.46Å; V850-W893 HydrophobicContact CG2-CH2 4.26Å; V850-W893 HydrophobicContact CG2-CZ3 4.03Å; V850-L899 HydrophobicContact CG2-CD1 4.07Å
851F98.2Very high95.3Very high1 Ų153.1 Ų53.10%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-109.8143.5177.7-62.1-82.6000111.5L791 H805 F807 Y828 F829 V831 V849 L858 Q859 T860L791-F851 HydrophobicContact CD2-CD2 3.71Å; L791-F851 HydrophobicContact CD2-CE2 3.96Å; L791-F851 HydrophobicContact CD2-CG 4.22Å; H805-F851 AromaticContact CD2-CE1 3.96Å; H805-F851 AromaticContact CD2-CZ 3.54Å; H805-F851 AromaticContact CE1-CE1 3.91Å; H805-F851 AromaticContact NE2-CE1 3.86Å; H805-F851 AromaticContact NE2-CZ 3.6Å; F807-F851 HydrophobicContact CE1-CE2 4.37Å; F807-F851 HydrophobicContact CE1-CZ 4.31Å; F807-F851 HydrophobicContact CZ-CE2 4.26Å; F807-F851 HydrophobicContact CZ-CZ 4.46Å; Y828-F851 CarbonylContact C-O 3.56Å; Y828-F851 VanDerWaalsContact CA-O 3.31Å; Y828-F851 WeakPolarHBondContact CA-O 3.34Å; Y828-F851 WeakPolarHBondContact CB-O 3.24Å; F829-F851 HydrophobicContact CB-CB 4.31Å; F829-F851 PolarHBondContact N-O 3.32Å; F829-F851 PolarHBondContact O-N 3.34Å; V831-F851 HydrophobicContact CB-CE2 4.35Å; V831-F851 HydrophobicContact CG2-CD2 4.14Å; V831-F851 HydrophobicContact CG2-CE2 3.98Å; V849-F851 HydrophobicContact CB-CD2 4.46Å; V849-F851 HydrophobicContact CB-CE2 3.78Å; V849-F851 HydrophobicContact CB-CZ 4.12Å; V849-F851 HydrophobicContact CG1-CD1 4.46Å; V849-F851 HydrophobicContact CG1-CD2 4.03Å; V849-F851 HydrophobicContact CG1-CE1 3.9Å; V849-F851 HydrophobicContact CG1-CE2 3.41Å; V849-F851 VanDerWaalsContact CG1-CE2 3.41Å; V849-F851 HydrophobicContact CG1-CZ 3.33Å; F851-L858 HydrophobicContact CB-CD1 3.77Å; F851-L858 HydrophobicContact CB-CG 4.15Å; F851-L858 HydrophobicContact CD1-CD1 4.47Å; F851-L858 HydrophobicContact CD1-CD2 3.91Å; F851-L858 HydrophobicContact CD1-CG 3.92Å; F851-L858 HydrophobicContact CE1-CD2 4.3Å; F851-L858 HydrophobicContact CG-CD1 4.36Å; F851-L858 HydrophobicContact CG-CD2 4.28Å; F851-L858 HydrophobicContact CG-CG 4.28Å; F851-Q859 CarbonylContact C-O 3.57Å; F851-Q859 VanDerWaalsContact CA-O 3.31Å; F851-Q859 WeakPolarHBondContact CA-O 3.44Å; F851-T860 VanDerWaalsContact CE1-OG1 3.3Å; F851-T860 WeakPolarHBondContact CE1-OG1 3.44Å
852Q97.5Very high95.6Very high35 Ų3548.2 Ų48.216%0.16425%0.253CS..EExtended strand (participates in β ladder)trans-115.3125.5167.4-175.9171.23.100108.8N826 Y828 Q859 V861N826-Q852 PolarHBondContact OD1-NE2 3.15Å; Y828-Q852 HydrophobicContact CD1-CB 3.88Å; Y828-Q852 HydrophobicContact CD1-CG 4.4Å; Y828-Q852 HydrophobicContact CE1-CB 3.94Å; Y828-Q852 HydrophobicContact CE1-CG 4.25Å; Q852-Q859 PolarHBondContact N-O 2.85Å; Q852-Q859 PolarHBondContact O-N 3.42Å; Q852-V861 HydrophobicContact CB-CG2 3.58Å
853Y97.3Very high95.8Very high32 Ų3246.8 Ų46.813%0.12525%0.246CC..EExtended strand (participates in β ladder)trans-102.2116.6171.5-173.8-111.3000109.4I793 L802 K857 L858I793-Y853 HydrophobicContact CG1-CD2 4.28Å; I793-Y853 HydrophobicContact CG2-CD1 3.89Å; I793-Y853 HydrophobicContact CG2-CD2 4.16Å; I793-Y853 HydrophobicContact CG2-CE1 3.77Å; I793-Y853 HydrophobicContact CG2-CE2 4.07Å; I793-Y853 HydrophobicContact CG2-CG 4.07Å; L802-Y853 HydrophobicContact CD1-CE1 4.38Å; L802-Y853 WeakPolarHBondContact CD1-OH 3.32Å; Y853-K857 WeakPolarHBondContact CA-O 3.48Å; Y853-L858 HydrophobicContact CD2-CB 4.18Å; Y853-L858 HydrophobicContact CD2-CD1 4.16Å; Y853-L858 HydrophobicContact CG-CD1 4.47Å
854S94.5Very high95.8Very high38 Ų3849 Ų4927%0.26625%0.253SS..EExtended strand (participates in β ladder)trans-152.5143.1-18058.60000110G856 K857S854-G856 PolarHBondContact O-N 3.08Å; S854-K857 PolarHBondContact N-O 2.88Å; S854-K857 PolarHBondContact O-N 3.48Å
855D91.1Very high95.9Very high161 Ų16147.5 Ų47.586%0.86125%0.249SC*.THydrogen-bonded Turntrans52.339179-55.3-39.6000113.6K857D855-K857 PolarHBondContact O-N 3.43Å
856G90.6Very high95.9Very high41 Ų4143.9 Ų43.942%0.42323%0.232SC..THydrogen-bonded Turntrans71.91218000000114.9S854S854-G856 PolarHBondContact O-N 3.08Å
857K94.5Very high95.9Very high138 Ų13852.7 Ų52.760%0.627%0.27SS*.EExtended strand (participates in β ladder)trans-124.3132.2-178.7-65.6179.7-177.4176.50111.1Y853 S854 D855Y853-K857 WeakPolarHBondContact CA-O 3.48Å; S854-K857 PolarHBondContact N-O 2.88Å; S854-K857 PolarHBondContact O-N 3.48Å; D855-K857 PolarHBondContact O-N 3.43Å
858L96.9Very high95.9Very high19 Ų1952.7 Ų52.710%0.09927%0.27CS..EExtended strand (participates in β ladder)trans-89.9123.7169.3-165.872.1000109.5L791 I793 H805 F851 Y853L791-L858 HydrophobicContact CD2-CD2 4.05Å; I793-L858 HydrophobicContact CD1-CD1 4.04Å; I793-L858 HydrophobicContact CG1-CD1 4.11Å; H805-L858 HydrophobicContact CB-CD2 3.8Å; F851-L858 HydrophobicContact CB-CD1 3.77Å; F851-L858 HydrophobicContact CB-CG 4.15Å; F851-L858 HydrophobicContact CD1-CD1 4.47Å; F851-L858 HydrophobicContact CD1-CD2 3.91Å; F851-L858 HydrophobicContact CD1-CG 3.92Å; F851-L858 HydrophobicContact CE1-CD2 4.3Å; F851-L858 HydrophobicContact CG-CD1 4.36Å; F851-L858 HydrophobicContact CG-CD2 4.28Å; F851-L858 HydrophobicContact CG-CG 4.28Å; Y853-L858 HydrophobicContact CD2-CB 4.18Å; Y853-L858 HydrophobicContact CD2-CD1 4.16Å; Y853-L858 HydrophobicContact CG-CD1 4.47Å
859Q96.1Very high95.8Very high104 Ų10452.7 Ų52.749%0.48627%0.27SS..EExtended strand (participates in β ladder)trans-121.7133.1179.3-62.2-179.726.900110.5F851 Q852 V861F851-Q859 CarbonylContact C-O 3.57Å; F851-Q859 VanDerWaalsContact CA-O 3.31Å; F851-Q859 WeakPolarHBondContact CA-O 3.44Å; Q852-Q859 PolarHBondContact N-O 2.85Å; Q852-Q859 PolarHBondContact O-N 3.42Å; Q859-V861 PolarHBondContact O-N 2.88Å
860T95.9Very high95.9Very high67 Ų6752.7 Ų52.741%0.41127%0.27SS..EExtended strand (participates in β ladder)trans-75.3116.6170-52.30000109.5V849 F851 E863V849-T860 HydrophobicContact CG1-CG2 3.75Å; F851-T860 VanDerWaalsContact CE1-OG1 3.3Å; F851-T860 WeakPolarHBondContact CE1-OG1 3.44Å; T860-E863 HydrophobicContact CG2-CG 3.88Å
861V96.2Very high95.9Very high41 Ų4155.3 Ų55.325%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-91.5-41.1-178.6178.60000111.2Y828 V850 Q852 Q859 W893 K897Y828-V861 HydrophobicContact CD1-CG2 4.26Å; Y828-V861 HydrophobicContact CE1-CB 4.45Å; Y828-V861 HydrophobicContact CE1-CG1 4.25Å; Y828-V861 HydrophobicContact CE1-CG2 3.93Å; V850-V861 HydrophobicContact CG1-CB 4.29Å; V850-V861 PolarHBondContact O-N 3.32Å; Q852-V861 HydrophobicContact CB-CG2 3.58Å; Q859-V861 PolarHBondContact O-N 2.88Å; V861-W893 HydrophobicContact CG1-CH2 4.14Å; V861-W893 HydrophobicContact CG1-CZ2 4.19Å; V861-K897 HydrophobicContact CG1-CB 4.08Å; V861-K897 HydrophobicContact CG1-CD 3.72Å
862A95.8Very high95.9Very high15 Ų1556.3 Ų56.312%0.12429%0.287CS..EExtended strand (participates in β ladder)trans-151.3153-178.600000111.9V850 W893 K897V850-A862 HydrophobicContact CB-CB 4.08Å; V850-A862 HydrophobicContact CG2-CB 4.15Å; V850-A862 PolarHBondContact N-O 3.37Å; V850-A862 PolarHBondContact O-N 3.19Å; A862-W893 HydrophobicContact CB-CH2 3.81Å; A862-W893 HydrophobicContact CB-CZ3 3.96Å; A862-K897 VanDerWaalsContact CB-O 3.25Å; A862-K897 WeakPolarHBondContact CB-O 3.42Å
863E95Very high95.9Very high69 Ų6955.1 Ų55.132%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-132.4135.6171.8-64.8-171.3-171.100109.6S768 R847 I848 V849 T860S768-E863 PolarHBondContact OG-OE2 3.34Å; R847-E863 IonicContact NH1-OE1 3.95Å; R847-E863 PolarHBondContact NH1-OE1 3.46Å; R847-E863 VanDerWaalsContact NH1-OE1 3.08Å; R847-E863 IonicContact NH1-OE2 2.86Å; R847-E863 PolarHBondContact NH1-OE2 2.59Å; I848-E863 CarbonylContact O-C 3.54Å; I848-E863 WeakPolarHBondContact O-CA 3.41Å; V849-E863 HydrophobicContact CG1-CG 4.25Å; T860-E863 HydrophobicContact CG2-CG 3.88Å
864K96.2Very high95.9Very high64 Ų6454.8 Ų54.828%0.27828%0.283SS..EExtended strand (participates in β ladder)trans-129.4112.6177.3-178.464.8172.4-157.30110.7R847 I848 V866 Y891 L899R847-K864 CarbonylContact C-O 3.55Å; R847-K864 WeakPolarHBondContact CA-O 3.23Å; R847-K864 WeakPolarHBondContact CB-O 3.28Å; I848-K864 HydrophobicContact CB-CB 4.3Å; I848-K864 PolarHBondContact N-O 2.77Å; I848-K864 PolarHBondContact O-N 3.21Å; K864-V866 HydrophobicContact CG-CG1 4.44Å; K864-Y891 HydrophobicContact CG-CE1 4.12Å; K864-L899 HydrophobicContact CB-CB 4.23Å; K864-L899 HydrophobicContact CB-CD1 4.1Å; K864-L899 WeakPolarHBondContact CE-O 3.42Å; K864-L899 HydrophobicContact CG-CB 4.28Å; K864-L899 PolarHBondContact NZ-O 3.34Å
865E95.6Very high96Very high93 Ų9356.6 Ų56.644%0.43529%0.287SS..EExtended strand (participates in β ladder)trans-67.2138.4172.3-166.9-170.9152.700111.3L770L770-E865 HydrophobicContact CD1-CB 4.39Å
866V96.5Very high96.3Very high4 Ų449 Ų492%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-134.3156.4176.9-58.60000111.3G846 I848 K864 G868 V870 I884 Y891G846-V866 VanDerWaalsContact C-CG2 3.45Å; G846-V866 PolarHBondContact N-O 3.43Å; G846-V866 WeakPolarHBondContact O-CG2 3.2Å; G846-V866 PolarHBondContact O-N 3.43Å; G846-V866 VanDerWaalsContact O-O 3.1Å; I848-V866 HydrophobicContact CD1-CG1 4.3Å; I848-V866 HydrophobicContact CG1-CG1 4.35Å; K864-V866 HydrophobicContact CG-CG1 4.44Å; V866-G868 WeakPolarHBondContact CG2-O 3.46Å; V866-G868 PolarHBondContact O-N 3.1Å; V866-V870 HydrophobicContact CG2-CG2 3.6Å; V866-I884 HydrophobicContact CB-CD1 4Å; V866-I884 HydrophobicContact CB-CG2 4.27Å; V866-I884 HydrophobicContact CG1-CD1 3.8Å; V866-I884 HydrophobicContact CG2-CD1 4.37Å; V866-I884 HydrophobicContact CG2-CG2 4.13Å; V866-Y891 WeakPolarHBondContact CG1-OH 3.48Å
867K95.5Very high96.3Very high185 Ų18551 Ų5180%0.80425%0.248SC*.SBendtrans-95.975.2-179.4-63.9-175.5179.1-175.60110.4K844K844-K867 CarbonylContact O-C 3.55Å; K844-K867 WeakPolarHBondContact O-CA 3.47Å
868G95.9Very high96.3Very high0 Ų045.4 Ų45.40%023%0.229CC..SBendtrans140.1180178.100000113.4P843 K844 G846 V866 N885P843-G868 WeakPolarHBondContact O-CA 3.33Å; K844-G868 PolarHBondContact O-N 2.89Å; G846-G868 WeakPolarHBondContact CA-O 3.34Å; G846-G868 PolarHBondContact N-O 2.7Å; V866-G868 WeakPolarHBondContact CG2-O 3.46Å; V866-G868 PolarHBondContact O-N 3.1Å; G868-N885 WeakPolarHBondContact CA-ND2 3.4Å
869A97.8Very high96.3Very high0 Ų046.2 Ų46.20%023%0.232CC..  trans-79.9131.6178.200000111.9L814 A834 P843 Y871 I884 N885L814-A869 HydrophobicContact CD1-CB 3.65Å; A834-A869 HydrophobicContact CB-CB 3.55Å; P843-A869 HydrophobicContact CB-CB 4.09Å; P843-A869 HydrophobicContact CG-CB 4.05Å; A869-Y871 HydrophobicContact CB-CD2 4.32Å; A869-Y871 HydrophobicContact CB-CE1 4.05Å; A869-Y871 HydrophobicContact CB-CE2 3.74Å; A869-Y871 WeakPolarHBondContact O-CD2 3.27Å; A869-Y871 PolarHBondContact O-N 3.15Å; A869-I884 VanDerWaalsContact O-CA 3.25Å; A869-I884 WeakPolarHBondContact O-CA 3.2Å; A869-N885 PolarHBondContact N-OD1 2.97Å; A869-N885 PolarHBondContact O-N 2.67Å; A869-N885 VanDerWaalsContact O-N 3.11Å
870V98.5Very high96.4Very high0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-87.787.7177.6-169.40000110.4L814 S815 I848 V866 M873 A882 S883 I884L814-V870 WeakPolarHBondContact CB-O 3.02Å; S815-V870 PolarHBondContact OG-O 2.67Å; I848-V870 HydrophobicContact CG1-CG1 4.35Å; I848-V870 HydrophobicContact CG1-CG2 4.01Å; V866-V870 HydrophobicContact CG2-CG2 3.6Å; V870-M873 HydrophobicContact CG1-CG 3.66Å; V870-M873 HydrophobicContact CG1-SD 3.85Å; V870-A882 HydrophobicContact CG1-CB 4.21Å; V870-S883 CarbonylContact C-O 3.54Å; V870-S883 WeakPolarHBondContact CA-O 3.44Å; V870-I884 HydrophobicContact CG2-CG1 4.28Å
871Y97.8Very high96.5Very high55 Ų5538.1 Ų38.122%0.21619%0.19CC..EExtended strand (participates in β ladder)trans-73.9-35.5-172-69.3-69000114.5L814 A869 S883 M910 L912L814-Y871 HydrophobicContact CD1-CD1 4.32Å; L814-Y871 HydrophobicContact CD1-CE1 4.34Å; A869-Y871 HydrophobicContact CB-CD2 4.32Å; A869-Y871 HydrophobicContact CB-CE1 4.05Å; A869-Y871 HydrophobicContact CB-CE2 3.74Å; A869-Y871 WeakPolarHBondContact O-CD2 3.27Å; A869-Y871 PolarHBondContact O-N 3.15Å; Y871-S883 PolarHBondContact N-O 3.25Å; Y871-M910 HydrophobicContact CD2-CG 4.12Å; Y871-M910 HydrophobicContact CD2-SD 4.43Å; Y871-M910 HydrophobicContact CE1-SD 4.39Å; Y871-M910 HydrophobicContact CE2-CE 4.49Å; Y871-M910 HydrophobicContact CE2-CG 3.67Å; Y871-M910 HydrophobicContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CZ-SD 3.57Å; Y871-M910 PolarHBondContact OH-SD 2.82Å; Y871-L912 HydrophobicContact CD1-CD2 3.91Å; Y871-L912 HydrophobicContact CD2-CD2 4.16Å; Y871-L912 HydrophobicContact CE1-CD2 4.21Å; Y871-L912 HydrophobicContact CE2-CD2 4.44Å; Y871-L912 HydrophobicContact CG-CD2 3.89Å
872S97.9Very high96.6Very high21 Ų2136.2 Ų36.215%0.14718%0.178CC..EExtended strand (participates in β ladder)trans-146.4147.8-179.1-169.70000111A882 S883 L912 L914S872-A882 CarbonylContact O-C 3.56Å; S872-A882 WeakPolarHBondContact O-CA 3.22Å; S872-S883 WeakPolarHBondContact CB-OG 3.37Å; S872-S883 PolarHBondContact N-OG 3.37Å; S872-S883 VanDerWaalsContact N-OG 3.08Å; S872-S883 PolarHBondContact O-N 3.02Å; S872-L912 WeakPolarHBondContact CB-O 3.44Å; S872-L914 PolarHBondContact OG-N 2.82Å
873M98.3Very high96.7Very high10 Ų1035.5 Ų35.55%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-142.4140.9175-65.6-172.7-58.900110.2V817 I830 I848 V870 L880 L881 A882V817-M873 HydrophobicContact CG1-CB 4.13Å; V817-M873 HydrophobicContact CG1-CE 4.37Å; I830-M873 HydrophobicContact CB-CE 4.39Å; I830-M873 HydrophobicContact CG2-CE 3.98Å; I830-M873 HydrophobicContact CG2-SD 4.04Å; I830-M873 WeakPolarHBondContact O-CE 3.04Å; I848-M873 HydrophobicContact CD1-SD 4.49Å; I848-M873 HydrophobicContact CG1-SD 4.34Å; I848-M873 HydrophobicContact CG2-SD 4.08Å; V870-M873 HydrophobicContact CG1-CG 3.66Å; V870-M873 HydrophobicContact CG1-SD 3.85Å; M873-L880 HydrophobicContact CB-CD1 4.25Å; M873-L880 HydrophobicContact SD-CD1 4.45Å; M873-L880 HydrophobicContact SD-CD2 4.3Å; M873-L881 CarbonylContact C-O 3.46Å; M873-L881 VanDerWaalsContact CA-O 3.26Å; M873-L881 WeakPolarHBondContact CA-O 3.41Å; M873-A882 HydrophobicContact CG-CB 3.92Å
874V97.5Very high96.8Very high25 Ų2532.3 Ų32.315%0.15216%0.157CC..EExtended strand (participates in β ladder)trans-142.7151.8175.4-64.40000110L881 L914 T916V874-L881 HydrophobicContact CG2-CB 3.9Å; V874-L881 HydrophobicContact CG2-CD2 3.81Å; V874-L881 HydrophobicContact CG2-CG 4.33Å; V874-L881 PolarHBondContact N-O 2.97Å; V874-L881 PolarHBondContact O-N 3.47Å; V874-L914 HydrophobicContact CG1-CB 4.37Å; V874-L914 WeakPolarHBondContact CG1-O 3.47Å; V874-L914 HydrophobicContact CG2-CB 4.15Å; V874-T916 HydrophobicContact CG2-CG2 3.67Å
875E96.6Very high96.9Very high76 Ų7629.9 Ų29.936%0.35515%0.147SC..EExtended strand (participates in β ladder)trans-74.1136.8167.1-173-82136.300109.3C819 N877 G878C819-E875 HydrophobicContact CB-CB 3.58Å; C819-E875 HydrophobicContact CB-CG 3.8Å; E875-N877 PolarHBondContact OE1-N 3.41Å; E875-G878 VanDerWaalsContact OE1-CA 3.29Å; E875-G878 WeakPolarHBondContact OE1-CA 3.46Å; E875-G878 PolarHBondContact OE1-N 3.31Å
876F96.4Very high96.9Very high3 Ų327.8 Ų27.81%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-147.6109.5-177.9-177.6-108.8000110.5G878 K879 L881 L890 T916 G918 I921 Y935F876-G878 VanDerWaalsContact C-N 3.32Å; F876-G878 PolarHBondContact O-N 2.98Å; F876-K879 PolarHBondContact N-O 2.79Å; F876-K879 WeakPolarHBondContact O-CA 3.48Å; F876-K879 VanDerWaalsContact O-CB 3.26Å; F876-K879 WeakPolarHBondContact O-CB 3.39Å; F876-K879 PolarHBondContact O-N 3.2Å; F876-L881 HydrophobicContact CB-CB 3.99Å; F876-L890 HydrophobicContact CD1-CD1 3.88Å; F876-T916 HydrophobicContact CB-CG2 4.31Å; F876-T916 HydrophobicContact CD2-CG2 3.47Å; F876-T916 VanDerWaalsContact CD2-CG2 3.47Å; F876-T916 HydrophobicContact CE2-CG2 4.1Å; F876-T916 HydrophobicContact CG-CG2 4.17Å; F876-G918 VanDerWaalsContact CE2-O 3.25Å; F876-G918 WeakPolarHBondContact CE2-O 3.1Å; F876-I921 HydrophobicContact CD1-CD1 4.36Å; F876-I921 HydrophobicContact CD2-CG1 4.26Å; F876-I921 HydrophobicContact CE1-CD1 3.92Å; F876-I921 HydrophobicContact CE1-CG1 4.3Å; F876-I921 HydrophobicContact CE2-CD1 4.33Å; F876-I921 HydrophobicContact CE2-CG1 3.8Å; F876-I921 HydrophobicContact CZ-CD1 3.89Å; F876-I921 HydrophobicContact CZ-CG1 3.82Å; F876-Y935 VanDerWaalsContact CE1-CB 3.48Å; F876-Y935 AromaticContact CE1-CD1 3.72Å; F876-Y935 HydrophobicContact CE1-CD1 3.72Å; F876-Y935 AromaticContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CZ-CD1 4.32Å; F876-Y935 HydrophobicContact CZ-CG 4.33Å
877N92.4Very high96.9Very high81 Ų8128.6 Ų28.643%0.43315%0.148SC..THydrogen-bonded Turntrans54.542.4177.5-72.8-21.9000114E875 K879 D919E875-N877 PolarHBondContact OE1-N 3.41Å; N877-K879 PolarHBondContact O-N 3.19Å; N877-D919 PolarHBondContact ND2-OD1 2.8Å
878G93.2Very high97Very high21 Ų2119.8 Ų19.822%0.21611%0.11CC..THydrogen-bonded Turntrans71.712.4-17500000113.7G822 E875 F876G822-G878 WeakPolarHBondContact CA-O 3.19Å; G822-G878 PolarHBondContact N-O 3.45Å; E875-G878 VanDerWaalsContact OE1-CA 3.29Å; E875-G878 WeakPolarHBondContact OE1-CA 3.46Å; E875-G878 PolarHBondContact OE1-N 3.31Å; F876-G878 VanDerWaalsContact C-N 3.32Å; F876-G878 PolarHBondContact O-N 2.98Å
879K96.3Very high97.1Very high37 Ų3722.3 Ų22.316%0.16112%0.119CC..EExtended strand (participates in β ladder)trans-119.5169.1-179.1-62.8175.2-173.6178.80109.6F876 N877 L890 Y891 E902 Y935F876-K879 PolarHBondContact N-O 2.79Å; F876-K879 WeakPolarHBondContact O-CA 3.48Å; F876-K879 VanDerWaalsContact O-CB 3.26Å; F876-K879 WeakPolarHBondContact O-CB 3.39Å; F876-K879 PolarHBondContact O-N 3.2Å; N877-K879 PolarHBondContact O-N 3.19Å; K879-L890 HydrophobicContact CB-CD1 3.75Å; K879-L890 HydrophobicContact CB-CG 4.2Å; K879-L890 HydrophobicContact CD-CD1 4.3Å; K879-L890 HydrophobicContact CD-CD2 3.8Å; K879-L890 HydrophobicContact CD-CG 3.98Å; K879-Y891 VanDerWaalsContact CB-O 3.28Å; K879-Y891 WeakPolarHBondContact CB-O 3.23Å; K879-E902 WeakPolarHBondContact CD-OE2 3.32Å; K879-E902 WeakPolarHBondContact CE-OE2 3.29Å; K879-E902 IonicContact NZ-OE1 3.31Å; K879-E902 PolarHBondContact NZ-OE1 2.81Å; K879-E902 IonicContact NZ-OE2 3.66Å; K879-E902 PolarHBondContact NZ-OE2 3.31Å; K879-Y935 PolarHBondContact NZ-OH 2.62Å
880L98.2Very high97.1Very high1 Ų122.3 Ų22.31%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-101.8117.8174.9-177.669.6000109.4V817 L821 I830 I848 M873 Y891 L899V817-L880 HydrophobicContact CG1-CD1 4.06Å; L821-L880 HydrophobicContact CD2-CB 4.17Å; I830-L880 HydrophobicContact CD1-CD1 4.01Å; I830-L880 HydrophobicContact CD1-CD2 4.36Å; I830-L880 HydrophobicContact CG2-CD1 4.47Å; I830-L880 HydrophobicContact CG2-CD2 3.91Å; I848-L880 HydrophobicContact CD1-CD2 4.3Å; I848-L880 HydrophobicContact CG2-CD2 3.86Å; M873-L880 HydrophobicContact CB-CD1 4.25Å; M873-L880 HydrophobicContact SD-CD1 4.45Å; M873-L880 HydrophobicContact SD-CD2 4.3Å; L880-Y891 PolarHBondContact N-O 2.94Å; L880-Y891 PolarHBondContact O-N 2.85Å; L880-L899 HydrophobicContact CB-CD2 4.22Å; L880-L899 HydrophobicContact CD2-CD1 3.95Å; L880-L899 HydrophobicContact CD2-CD2 4.04Å
881L98.3Very high97.1Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-97.5131.4171.3-174.474.6000108.9M873 V874 F876 V888 L890 L914 T916 I921 F942M873-L881 CarbonylContact C-O 3.46Å; M873-L881 VanDerWaalsContact CA-O 3.26Å; M873-L881 WeakPolarHBondContact CA-O 3.41Å; V874-L881 HydrophobicContact CG2-CB 3.9Å; V874-L881 HydrophobicContact CG2-CD2 3.81Å; V874-L881 HydrophobicContact CG2-CG 4.33Å; V874-L881 PolarHBondContact N-O 2.97Å; V874-L881 PolarHBondContact O-N 3.47Å; F876-L881 HydrophobicContact CB-CB 3.99Å; L881-V888 HydrophobicContact CD1-CG1 3.75Å; L881-V888 HydrophobicContact CG-CG1 4.24Å; L881-L890 HydrophobicContact CB-CD1 4.2Å; L881-L890 HydrophobicContact CD1-CB 4.47Å; L881-L890 HydrophobicContact CD1-CD1 4.01Å; L881-L914 HydrophobicContact CD2-CD1 4.09Å; L881-L914 HydrophobicContact CD2-CD2 4.45Å; L881-L914 HydrophobicContact CG-CD1 3.98Å; L881-T916 HydrophobicContact CD2-CG2 3.94Å; L881-I921 HydrophobicContact CD1-CD1 4.02Å; L881-I921 HydrophobicContact CD2-CB 4.32Å; L881-I921 HydrophobicContact CD2-CD1 3.83Å; L881-I921 HydrophobicContact CD2-CG1 3.84Å; L881-I921 HydrophobicContact CD2-CG2 3.54Å; L881-F942 HydrophobicContact CD1-CE1 4.3Å; L881-F942 HydrophobicContact CD1-CE2 4.35Å; L881-F942 HydrophobicContact CD1-CZ 3.55Å
882A98.5Very high97Very high0 Ų022.8 Ų22.80%012%0.123CC..EExtended strand (participates in β ladder)trans-135.8143-179.400000111.8I848 V870 S872 M873 I884 R889 Y891I848-A882 HydrophobicContact CD1-CB 4.23Å; V870-A882 HydrophobicContact CG1-CB 4.21Å; S872-A882 CarbonylContact O-C 3.56Å; S872-A882 WeakPolarHBondContact O-CA 3.22Å; M873-A882 HydrophobicContact CG-CB 3.92Å; A882-I884 HydrophobicContact CB-CD1 4.43Å; A882-I884 HydrophobicContact CB-CG1 4.29Å; A882-R889 PolarHBondContact N-O 3.39Å; A882-R889 PolarHBondContact O-N 3.4Å; A882-Y891 HydrophobicContact CB-CE2 4.14Å
883S98.2Very high97Very high0 Ų022.8 Ų22.80%012%0.12CC..EExtended strand (participates in β ladder)trans-99.3126.2167.968.80000109.8V870 Y871 S872 T887 A911 L914V870-S883 CarbonylContact C-O 3.54Å; V870-S883 WeakPolarHBondContact CA-O 3.44Å; Y871-S883 PolarHBondContact N-O 3.25Å; S872-S883 WeakPolarHBondContact CB-OG 3.37Å; S872-S883 PolarHBondContact N-OG 3.37Å; S872-S883 VanDerWaalsContact N-OG 3.08Å; S872-S883 PolarHBondContact O-N 3.02Å; S883-T887 CarbonylContact C-O 3.55Å; S883-T887 WeakPolarHBondContact CA-O 3.36Å; S883-A911 WeakPolarHBondContact CB-O 3.48Å; S883-A911 PolarHBondContact OG-O 2.76Å; S883-L914 VanDerWaalsContact N-CD1 3.3Å
884I98Very high96.8Very high2 Ų223.1 Ų23.11%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-133.1105.1-172.4-51170.4000108.1V866 A869 V870 A882 S886 T887 R889 Y891V866-I884 HydrophobicContact CB-CD1 4Å; V866-I884 HydrophobicContact CB-CG2 4.27Å; V866-I884 HydrophobicContact CG1-CD1 3.8Å; V866-I884 HydrophobicContact CG2-CD1 4.37Å; V866-I884 HydrophobicContact CG2-CG2 4.13Å; A869-I884 VanDerWaalsContact O-CA 3.25Å; A869-I884 WeakPolarHBondContact O-CA 3.2Å; V870-I884 HydrophobicContact CG2-CG1 4.28Å; A882-I884 HydrophobicContact CB-CD1 4.43Å; A882-I884 HydrophobicContact CB-CG1 4.29Å; I884-S886 PolarHBondContact O-N 2.9Å; I884-S886 VanDerWaalsContact O-N 3.1Å; I884-T887 PolarHBondContact N-O 3.35Å; I884-T887 PolarHBondContact O-N 3.09Å; I884-T887 PolarHBondContact O-OG1 2.88Å; I884-R889 HydrophobicContact CD1-CB 4.43Å; I884-Y891 HydrophobicContact CD1-CE2 4.3Å; I884-Y891 WeakPolarHBondContact CD1-OH 3.44Å
885N96.7Very high96.6Very high13 Ų1328.1 Ų28.17%0.0715%0.154CC..THydrogen-bonded Turntrans44.3-115-167.2-68.3-2.6000111.4P843 G868 A869 T887 M910 A911P843-N885 PolarHBondContact O-ND2 3.01Å; P843-N885 VanDerWaalsContact O-ND2 3.07Å; G868-N885 WeakPolarHBondContact CA-ND2 3.4Å; A869-N885 PolarHBondContact N-OD1 2.97Å; A869-N885 PolarHBondContact O-N 2.67Å; A869-N885 VanDerWaalsContact O-N 3.11Å; N885-T887 VanDerWaalsContact C-N 3.33Å; N885-T887 PolarHBondContact O-N 2.9Å; N885-M910 CarbonylContact O-C 3.6Å; N885-M910 WeakPolarHBondContact O-CA 3.5Å; N885-A911 PolarHBondContact O-N 2.81Å
886S95.8Very high96.4Very high50 Ų5030.8 Ų30.835%0.3517%0.166SC..THydrogen-bonded Turntrans-863.6-179.154.20000114.7I884 N908 I909I884-S886 PolarHBondContact O-N 2.9Å; I884-S886 VanDerWaalsContact O-N 3.1Å; S886-N908 VanDerWaalsContact CB-O 3.24Å; S886-N908 WeakPolarHBondContact CB-O 3.13Å; S886-N908 WeakPolarHBondContact O-CB 3.44Å; S886-N908 PolarHBondContact O-ND2 2.86Å; S886-I909 WeakPolarHBondContact CB-O 3.25Å
887T97.5Very high96.3Very high20 Ų2033.9 Ų33.912%0.12318%0.18CC..EExtended strand (participates in β ladder)trans-116.1140.6-172.266.40000112.5S883 I884 N885 H905 Y906S883-T887 CarbonylContact C-O 3.55Å; S883-T887 WeakPolarHBondContact CA-O 3.36Å; I884-T887 PolarHBondContact N-O 3.35Å; I884-T887 PolarHBondContact O-N 3.09Å; I884-T887 PolarHBondContact O-OG1 2.88Å; N885-T887 VanDerWaalsContact C-N 3.33Å; N885-T887 PolarHBondContact O-N 2.9Å; T887-H905 WeakPolarHBondContact CA-O 3.23Å; T887-Y906 HydrophobicContact CG2-CD1 3.65Å; T887-Y906 HydrophobicContact CG2-CE1 3.76Å
888V97.9Very high96.5Very high0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-107.2125.8167176.90000107.5L881 N904 H905 A911 L914 V923 L933 F942L881-V888 HydrophobicContact CD1-CG1 3.75Å; L881-V888 HydrophobicContact CG-CG1 4.24Å; V888-N904 CarbonylContact O-C 3.57Å; V888-N904 WeakPolarHBondContact O-CA 3.47Å; V888-H905 HydrophobicContact CB-CB 4.35Å; V888-H905 PolarHBondContact N-O 3.43Å; V888-H905 PolarHBondContact O-N 2.9Å; V888-A911 HydrophobicContact CG2-CB 3.87Å; V888-L914 HydrophobicContact CG1-CD2 4.1Å; V888-L914 HydrophobicContact CG2-CD2 4.05Å; V888-V923 HydrophobicContact CG2-CG1 3.9Å; V888-V923 HydrophobicContact CG2-CG2 3.98Å; V888-L933 HydrophobicContact CG1-CD1 4.47Å; V888-F942 HydrophobicContact CG1-CE2 4.4Å
889R97.5Very high96.6Very high53 Ų5335.5 Ų35.520%0.218%0.179CC..EExtended strand (participates in β ladder)trans-131.8134-168.9-177.8173-80.8-177.8-2.7111.4A882 I884 Y891 T901 N904A882-R889 PolarHBondContact N-O 3.39Å; A882-R889 PolarHBondContact O-N 3.4Å; I884-R889 HydrophobicContact CD1-CB 4.43Å; R889-Y891 HydrophobicContact CB-CE2 4.2Å; R889-Y891 WeakPolarHBondContact CD-OH 3.36Å; R889-Y891 HydrophobicContact CG-CD2 4.28Å; R889-Y891 HydrophobicContact CG-CE1 4.24Å; R889-Y891 HydrophobicContact CG-CE2 3.76Å; R889-T901 HydrophobicContact CG-CG2 3.84Å; R889-N904 VanDerWaalsContact CZ-OD1 3.27Å; R889-N904 PolarHBondContact NE-OD1 2.94Å; R889-N904 PolarHBondContact NH2-OD1 2.76Å
890L97.6Very high96.6Very high0 Ų040.2 Ų40.20%020%0.196CC..EExtended strand (participates in β ladder)trans-99.4133.8173.7-164.160.4000110.6F876 K879 L881 E902 C903 Y935 F942F876-L890 HydrophobicContact CD1-CD1 3.88Å; K879-L890 HydrophobicContact CB-CD1 3.75Å; K879-L890 HydrophobicContact CB-CG 4.2Å; K879-L890 HydrophobicContact CD-CD1 4.3Å; K879-L890 HydrophobicContact CD-CD2 3.8Å; K879-L890 HydrophobicContact CD-CG 3.98Å; L881-L890 HydrophobicContact CB-CD1 4.2Å; L881-L890 HydrophobicContact CD1-CB 4.47Å; L881-L890 HydrophobicContact CD1-CD1 4.01Å; L890-E902 PolarHBondContact O-N 3.44Å; L890-C903 PolarHBondContact N-O 2.83Å; L890-Y935 HydrophobicContact CD2-CD2 3.93Å; L890-Y935 HydrophobicContact CD2-CE1 4.4Å; L890-Y935 HydrophobicContact CD2-CE2 3.56Å; L890-Y935 HydrophobicContact CD2-CG 4.5Å; L890-F942 HydrophobicContact CB-CE2 4.32Å; L890-F942 HydrophobicContact CB-CZ 3.77Å; L890-F942 HydrophobicContact CD2-CZ 4.41Å
891Y97.7Very high96.5Very high0 Ų042.5 Ų42.50%021%0.21CC..EExtended strand (participates in β ladder)trans-118.2125.4174.9-62.7-86.1000111.2I848 K864 V866 K879 L880 A882 I884 R889 L899 R900 T901I848-Y891 HydrophobicContact CD1-CD2 4.16Å; I848-Y891 HydrophobicContact CD1-CE2 3.53Å; K864-Y891 HydrophobicContact CG-CE1 4.12Å; V866-Y891 WeakPolarHBondContact CG1-OH 3.48Å; K879-Y891 VanDerWaalsContact CB-O 3.28Å; K879-Y891 WeakPolarHBondContact CB-O 3.23Å; L880-Y891 PolarHBondContact N-O 2.94Å; L880-Y891 PolarHBondContact O-N 2.85Å; A882-Y891 HydrophobicContact CB-CE2 4.14Å; I884-Y891 HydrophobicContact CD1-CE2 4.3Å; I884-Y891 WeakPolarHBondContact CD1-OH 3.44Å; R889-Y891 HydrophobicContact CB-CE2 4.2Å; R889-Y891 WeakPolarHBondContact CD-OH 3.36Å; R889-Y891 HydrophobicContact CG-CD2 4.28Å; R889-Y891 HydrophobicContact CG-CE1 4.24Å; R889-Y891 HydrophobicContact CG-CE2 3.76Å; Y891-L899 HydrophobicContact CD1-CB 4.05Å; Y891-L899 HydrophobicContact CG-CB 4.33Å; Y891-R900 CarbonylContact C-O 3.59Å; Y891-R900 VanDerWaalsContact CA-O 3.3Å; Y891-R900 WeakPolarHBondContact CA-O 3.41Å; Y891-T901 WeakPolarHBondContact CE1-OG1 3.33Å
892E96.4Very high96.3Very high65 Ų6545.1 Ų45.130%0.30422%0.222SC..EExtended strand (participates in β ladder)trans-81.4134.9167.9-170.9-176.5179.800109.8R900E892-R900 PolarHBondContact N-O 2.95Å; E892-R900 PolarHBondContact O-N 3.36Å; E892-R900 IonicContact OE1-NH2 3.76Å; E892-R900 IonicContact OE2-CZ 3.45Å; E892-R900 IonicContact OE2-NE 3.61Å; E892-R900 PolarHBondContact OE2-NE 3.09Å; E892-R900 IonicContact OE2-NH2 2.66Å; E892-R900 PolarHBondContact OE2-NH2 2.94Å
893W97.2Very high96.2Very high21 Ų2145.4 Ų45.48%0.0822%0.224CC..EExtended strand (participates in β ladder)trans-86.1116.2171.7-172.5-116000110.2L821 D824 Y828 V850 V861 A862 K897 L899L821-W893 HydrophobicContact CB-CB 3.54Å; L821-W893 HydrophobicContact CB-CD2 4.09Å; L821-W893 HydrophobicContact CB-CG 3.47Å; L821-W893 VanDerWaalsContact CB-CG 3.47Å; L821-W893 HydrophobicContact CD1-CB 4.12Å; L821-W893 HydrophobicContact CD1-CD2 3.66Å; L821-W893 HydrophobicContact CD1-CE3 3.68Å; L821-W893 HydrophobicContact CD1-CG 3.89Å; L821-W893 HydrophobicContact CD1-CZ3 4.26Å; L821-W893 HydrophobicContact CG-CB 4.4Å; L821-W893 HydrophobicContact CG-CG 4.36Å; D824-W893 PolarHBondContact OD2-NE1 2.83Å; Y828-W893 HydrophobicContact CE2-CZ2 4.12Å; V850-W893 HydrophobicContact CB-CH2 4.33Å; V850-W893 HydrophobicContact CG1-CH2 3.95Å; V850-W893 HydrophobicContact CG1-CZ3 4.46Å; V850-W893 HydrophobicContact CG2-CH2 4.26Å; V850-W893 HydrophobicContact CG2-CZ3 4.03Å; V861-W893 HydrophobicContact CG1-CH2 4.14Å; V861-W893 HydrophobicContact CG1-CZ2 4.19Å; A862-W893 HydrophobicContact CB-CH2 3.81Å; A862-W893 HydrophobicContact CB-CZ3 3.96Å; W893-K897 HydrophobicContact CH2-CB 3.89Å; W893-K897 WeakPolarHBondContact CH2-O 3.43Å; W893-K897 HydrophobicContact CZ2-CB 3.46Å; W893-K897 VanDerWaalsContact CZ2-CB 3.46Å; W893-K897 HydrophobicContact CZ2-CD 4.33Å; W893-K897 HydrophobicContact CZ2-CG 3.84Å; W893-K897 WeakPolarHBondContact CZ3-O 3.27Å; W893-L899 HydrophobicContact CE3-CD2 3.69Å; W893-L899 HydrophobicContact CE3-CG 3.97Å; W893-L899 HydrophobicContact CZ3-CD2 4.13Å; W893-L899 HydrophobicContact CZ3-CG 3.95Å
894T95.3Very high96Very high17 Ų1747.6 Ų47.610%0.10424%0.236CC..PPolyproline II helixtrans-83.6164.4-175.859.70000112.2E896 K897 E898 R900T894-E896 WeakPolarHBondContact CB-OE2 3.5Å; T894-E896 PolarHBondContact O-N 2.83Å; T894-K897 PolarHBondContact O-N 2.94Å; T894-E898 PolarHBondContact N-O 2.59Å; T894-E898 WeakPolarHBondContact OG1-CA 3.41Å; T894-E898 WeakPolarHBondContact OG1-CB 3.39Å; T894-E898 PolarHBondContact OG1-N 2.74Å; T894-E898 PolarHBondContact OG1-O 3.46Å; T894-R900 HydrophobicContact CG2-CB 3.79Å
895T92.3Very high95.9Very high131 Ų13148.3 Ų48.380%0.80424%0.239SC*.THydrogen-bonded Turntrans-63.1-25.5174.536.70000112.8K897T895-K897 PolarHBondContact O-N 3.06Å
896E93.7Very high95.8Very high131 Ų13154.3 Ų54.361%0.61226%0.262SS*.THydrogen-bonded Turntrans-79.83.4175.4-60.468.2-137.500112.5T894 E898T894-E896 WeakPolarHBondContact CB-OE2 3.5Å; T894-E896 PolarHBondContact O-N 2.83Å; E896-E898 HydrophobicContact CB-CG 4.37Å
897K94.2Very high95.5Very high69 Ų6955.9 Ų55.930%0.327%0.266SS..SBendtrans60.740-175.6-61.6-169.5174-1580113.2D824 Y828 V861 A862 W893 T894 T895D824-K897 IonicContact OD2-NZ 3.92Å; Y828-K897 WeakPolarHBondContact OH-CE 3.47Å; Y828-K897 PolarHBondContact OH-NZ 3.46Å; V861-K897 HydrophobicContact CG1-CB 4.08Å; V861-K897 HydrophobicContact CG1-CD 3.72Å; A862-K897 VanDerWaalsContact CB-O 3.25Å; A862-K897 WeakPolarHBondContact CB-O 3.42Å; W893-K897 HydrophobicContact CH2-CB 3.89Å; W893-K897 WeakPolarHBondContact CH2-O 3.43Å; W893-K897 HydrophobicContact CZ2-CB 3.46Å; W893-K897 VanDerWaalsContact CZ2-CB 3.46Å; W893-K897 HydrophobicContact CZ2-CD 4.33Å; W893-K897 HydrophobicContact CZ2-CG 3.84Å; W893-K897 WeakPolarHBondContact CZ3-O 3.27Å; T894-K897 PolarHBondContact O-N 2.94Å; T895-K897 PolarHBondContact O-N 3.06Å
898E95.3Very high95.2Very high127 Ų12755.5 Ų55.559%0.59326%0.263SS*.  trans-114.2149.3173.4-58.5-175.8165.500111.7T894 E896T894-E898 PolarHBondContact N-O 2.59Å; T894-E898 WeakPolarHBondContact OG1-CA 3.41Å; T894-E898 WeakPolarHBondContact OG1-CB 3.39Å; T894-E898 PolarHBondContact OG1-N 2.74Å; T894-E898 PolarHBondContact OG1-O 3.46Å; E896-E898 HydrophobicContact CB-CG 4.37Å
899L97Very high95.1Very high8 Ų859 Ų594%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-85.2108.6171.8-69.4168.6000110.9L821 I848 V850 K864 L880 Y891 W893L821-L899 HydrophobicContact CD1-CD2 4.46Å; I848-L899 HydrophobicContact CB-CD1 4.15Å; I848-L899 HydrophobicContact CG2-CD1 3.64Å; V850-L899 HydrophobicContact CG2-CD1 4.07Å; K864-L899 HydrophobicContact CB-CB 4.23Å; K864-L899 HydrophobicContact CB-CD1 4.1Å; K864-L899 WeakPolarHBondContact CE-O 3.42Å; K864-L899 HydrophobicContact CG-CB 4.28Å; K864-L899 PolarHBondContact NZ-O 3.34Å; L880-L899 HydrophobicContact CB-CD2 4.22Å; L880-L899 HydrophobicContact CD2-CD1 3.95Å; L880-L899 HydrophobicContact CD2-CD2 4.04Å; Y891-L899 HydrophobicContact CD1-CB 4.05Å; Y891-L899 HydrophobicContact CG-CB 4.33Å; W893-L899 HydrophobicContact CE3-CD2 3.69Å; W893-L899 HydrophobicContact CE3-CG 3.97Å; W893-L899 HydrophobicContact CZ3-CD2 4.13Å; W893-L899 HydrophobicContact CZ3-CG 3.95Å
900R96.1Very high94.9Very high136 Ų13658.1 Ų58.151%0.51328%0.28SS..EExtended strand (participates in β ladder)trans-98.9125.2174.9-176.1172.470.2-169.33.9110.1Y891 E892 T894 E902Y891-R900 CarbonylContact C-O 3.59Å; Y891-R900 VanDerWaalsContact CA-O 3.3Å; Y891-R900 WeakPolarHBondContact CA-O 3.41Å; E892-R900 PolarHBondContact N-O 2.95Å; E892-R900 PolarHBondContact O-N 3.36Å; E892-R900 IonicContact OE1-NH2 3.76Å; E892-R900 IonicContact OE2-CZ 3.45Å; E892-R900 IonicContact OE2-NE 3.61Å; E892-R900 PolarHBondContact OE2-NE 3.09Å; E892-R900 IonicContact OE2-NH2 2.66Å; E892-R900 PolarHBondContact OE2-NH2 2.94Å; T894-R900 HydrophobicContact CG2-CB 3.79Å; R900-E902 PolarHBondContact O-N 2.86Å
901T95.7Very high94.9Very high49 Ų4958.1 Ų58.130%0.30128%0.28SS..EExtended strand (participates in β ladder)trans-65.6127.7174.7-56.90000109.9R889 Y891R889-T901 HydrophobicContact CG-CG2 3.84Å; Y891-T901 WeakPolarHBondContact CE1-OG1 3.33Å
902E94.6Very high94.8Very high55 Ų5559.3 Ų59.326%0.25729%0.286SS..EExtended strand (participates in β ladder)trans-101.7-57178.4-174.8177.5150.500110.9K879 L890 R900 Y935K879-E902 WeakPolarHBondContact CD-OE2 3.32Å; K879-E902 WeakPolarHBondContact CE-OE2 3.29Å; K879-E902 IonicContact NZ-OE1 3.31Å; K879-E902 PolarHBondContact NZ-OE1 2.81Å; K879-E902 IonicContact NZ-OE2 3.66Å; K879-E902 PolarHBondContact NZ-OE2 3.31Å; L890-E902 PolarHBondContact O-N 3.44Å; R900-E902 PolarHBondContact O-N 2.86Å; E902-Y935 PolarHBondContact OE1-OH 2.81Å
903C94.4Very high94.9Very high6 Ų659.3 Ų59.34%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-146.6165.7-177.872.40000112.7L890 G940 F942L890-C903 PolarHBondContact N-O 2.83Å; C903-G940 WeakPolarHBondContact CB-O 3.21Å; C903-F942 WeakPolarHBondContact SG-CE2 3.42Å; C903-F942 VanDerWaalsContact SG-CZ 3.58Å
904N95.1Very high94.9Very high46 Ų4658.4 Ų58.425%0.24628%0.281CS..EExtended strand (participates in β ladder)trans-139.4141.9-175-59.8-88.3000109.8V888 R889 Y906V888-N904 CarbonylContact O-C 3.57Å; V888-N904 WeakPolarHBondContact O-CA 3.47Å; R889-N904 VanDerWaalsContact CZ-OD1 3.27Å; R889-N904 PolarHBondContact NE-OD1 2.94Å; R889-N904 PolarHBondContact NH2-OD1 2.76Å; N904-Y906 HydrophobicContact CB-CD2 4.35Å; N904-Y906 HydrophobicContact CB-CE2 3.61Å
905H96.1Very high95Very high18 Ų1860.2 Ų60.28%0.08329%0.287CS..EExtended strand (participates in β ladder)trans-113131.7161.6178.179000108.7T887 V888 L933 F942 E944T887-H905 WeakPolarHBondContact CA-O 3.23Å; V888-H905 HydrophobicContact CB-CB 4.35Å; V888-H905 PolarHBondContact N-O 3.43Å; V888-H905 PolarHBondContact O-N 2.9Å; H905-L933 HydrophobicContact CB-CD1 3.78Å; H905-F942 HydrophobicContact CB-CB 4.09Å; H905-F942 HydrophobicContact CB-CD2 3.67Å; H905-F942 HydrophobicContact CB-CG 4.27Å; H905-E944 IonicContact CE1-OE2 2.73Å; H905-E944 PolarHBondContact CE1-OE2 3.04Å; H905-E944 IonicContact NE2-OE2 3.2Å
906Y93.3Very high95.2Very high139 Ų13956.2 Ų56.255%0.54526%0.263SS..  trans-113167.1173.6-54.1-86.6000107.4T887 N904T887-Y906 HydrophobicContact CG2-CD1 3.65Å; T887-Y906 HydrophobicContact CG2-CE1 3.76Å; N904-Y906 HydrophobicContact CB-CD2 4.35Å; N904-Y906 HydrophobicContact CB-CE2 3.61Å
907N90.2Very high95.2Very high82 Ų8253.7 Ų53.744%0.43925%0.249SC..  trans104.918.1-178.3-163.230.9000115.5R928 R947N907-R928 PolarHBondContact O-NH1 2.93Å; N907-R928 PolarHBondContact OD1-NH1 3.05Å; N907-R947 PolarHBondContact ND2-NH1 2.89Å
908N92.5Very high95Very high13 Ų1353.1 Ų53.17%0.0726%0.263CS..  trans-96.8153.5166.7-46.6-67.7000109.8S886 A911 D925 L931S886-N908 VanDerWaalsContact CB-O 3.24Å; S886-N908 WeakPolarHBondContact CB-O 3.13Å; S886-N908 WeakPolarHBondContact O-CB 3.44Å; S886-N908 PolarHBondContact O-ND2 2.86Å; N908-A911 HydrophobicContact CB-CB 4.21Å; N908-D925 WeakPolarHBondContact CA-OD2 3.32Å; N908-D925 VanDerWaalsContact CB-OD2 3.31Å; N908-D925 WeakPolarHBondContact CB-OD2 3.49Å; N908-L931 WeakPolarHBondContact OD1-CD2 3.49Å
909I93.7Very high94.7Very high74 Ų7450.8 Ų50.838%0.37926%0.255SS..SBendtrans-75.1-55.2162.5-64.8177.6000107.4S886 D925 M927 R928S886-I909 WeakPolarHBondContact CB-O 3.25Å; I909-D925 PolarHBondContact N-OD2 3.08Å; I909-M927 HydrophobicContact CD1-CB 4.06Å; I909-M927 HydrophobicContact CD1-SD 4.27Å; I909-R928 HydrophobicContact CD1-CG 3.73Å; I909-R928 HydrophobicContact CG1-CG 4.07Å
910M94.9Very high94.6Very high33 Ų3353 Ų5316%0.16326%0.264CS..  trans-154.9117.8172.8-171.1177.5-66.800108.6Y871 N885 L912 D925 L926Y871-M910 HydrophobicContact CD2-CG 4.12Å; Y871-M910 HydrophobicContact CD2-SD 4.43Å; Y871-M910 HydrophobicContact CE1-SD 4.39Å; Y871-M910 HydrophobicContact CE2-CE 4.49Å; Y871-M910 HydrophobicContact CE2-CG 3.67Å; Y871-M910 HydrophobicContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CZ-SD 3.57Å; Y871-M910 PolarHBondContact OH-SD 2.82Å; N885-M910 CarbonylContact O-C 3.6Å; N885-M910 WeakPolarHBondContact O-CA 3.5Å; M910-L912 HydrophobicContact CG-CD2 3.8Å; M910-L912 HydrophobicContact CG-CG 4.35Å; M910-L912 PolarHBondContact O-N 3.38Å; M910-L912 HydrophobicContact SD-CD2 3.72Å; M910-D925 PolarHBondContact N-OD2 2.87Å; M910-D925 CarbonylContact O-C 3.58Å; M910-D925 VanDerWaalsContact O-CA 3.3Å; M910-D925 WeakPolarHBondContact O-CA 3.44Å; M910-L926 HydrophobicContact CB-CB 3.88Å; M910-L926 HydrophobicContact CB-CD2 4.31Å; M910-L926 PolarHBondContact O-N 3.48Å; M910-L926 HydrophobicContact SD-CD2 4.41Å
911A96.7Very high94.7Very high0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-84.1100.7179.900000109.3S883 N885 V888 N908 V923S883-A911 WeakPolarHBondContact CB-O 3.48Å; S883-A911 PolarHBondContact OG-O 2.76Å; N885-A911 PolarHBondContact O-N 2.81Å; V888-A911 HydrophobicContact CG2-CB 3.87Å; N908-A911 HydrophobicContact CB-CB 4.21Å; A911-V923 HydrophobicContact CB-CG1 3.68Å
912L96.4Very high94.8Very high26 Ų2644.1 Ų44.114%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-92.1-34.5-173-67.7-179.5000113.2Y871 S872 M910 G924 L926Y871-L912 HydrophobicContact CD1-CD2 3.91Å; Y871-L912 HydrophobicContact CD2-CD2 4.16Å; Y871-L912 HydrophobicContact CE1-CD2 4.21Å; Y871-L912 HydrophobicContact CE2-CD2 4.44Å; Y871-L912 HydrophobicContact CG-CD2 3.89Å; S872-L912 WeakPolarHBondContact CB-O 3.44Å; M910-L912 HydrophobicContact CG-CD2 3.8Å; M910-L912 HydrophobicContact CG-CG 4.35Å; M910-L912 PolarHBondContact O-N 3.38Å; M910-L912 HydrophobicContact SD-CD2 3.72Å; L912-G924 PolarHBondContact N-O 2.88Å; L912-L926 HydrophobicContact CD1-CB 3.91Å; L912-L926 HydrophobicContact CD1-CD1 3.81Å; L912-L926 HydrophobicContact CD1-CG 4.47Å; L912-L926 HydrophobicContact CG-CB 4.32Å
913Y97.4Very high95Very high64 Ų6441.5 Ų41.525%0.25121%0.213SC..EExtended strand (participates in β ladder)trans-131.1138.3-172.7-47.8-77.6000111V923 G924 M954 S955 V957Y913-V923 WeakPolarHBondContact O-CA 3.46Å; Y913-G924 PolarHBondContact N-O 2.87Å; Y913-G924 PolarHBondContact O-N 2.83Å; Y913-M954 HydrophobicContact CD2-CB 4.27Å; Y913-M954 HydrophobicContact CE2-CB 4.07Å; Y913-M954 WeakPolarHBondContact CE2-O 3.42Å; Y913-S955 WeakPolarHBondContact CE1-O 3.41Å; Y913-S955 PolarHBondContact OH-O 3.1Å; Y913-S955 VanDerWaalsContact OH-O 3.05Å; Y913-V957 HydrophobicContact CG-CG2 4.47Å
914L97.9Very high95.1Very high3 Ų341.2 Ų41.22%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-126.3134.5174.8-66.3176.5000110.4S872 V874 L881 S883 V888 I921 L922 V923S872-L914 PolarHBondContact OG-N 2.82Å; V874-L914 HydrophobicContact CG1-CB 4.37Å; V874-L914 WeakPolarHBondContact CG1-O 3.47Å; V874-L914 HydrophobicContact CG2-CB 4.15Å; L881-L914 HydrophobicContact CD2-CD1 4.09Å; L881-L914 HydrophobicContact CD2-CD2 4.45Å; L881-L914 HydrophobicContact CG-CD1 3.98Å; S883-L914 VanDerWaalsContact N-CD1 3.3Å; V888-L914 HydrophobicContact CG1-CD2 4.1Å; V888-L914 HydrophobicContact CG2-CD2 4.05Å; L914-I921 HydrophobicContact CD2-CG2 4.21Å; L914-L922 WeakPolarHBondContact CA-O 3.31Å; L914-V923 HydrophobicContact CD2-CB 4.17Å; L914-V923 HydrophobicContact CD2-CG1 3.92Å; L914-V923 HydrophobicContact CD2-CG2 3.74Å
915K97.4Very high95.2Very high54 Ų5439 Ų3924%0.23520%0.199CC..EExtended strand (participates in β ladder)trans-136.9149.7170.4-63.7-70.8-175.9156.30109.3I921 L922 V957 E958 I959 F1007K915-I921 WeakPolarHBondContact O-CA 3.43Å; K915-L922 HydrophobicContact CB-CB 4.33Å; K915-L922 PolarHBondContact N-O 3.05Å; K915-L922 PolarHBondContact O-N 2.71Å; K915-V957 VanDerWaalsContact CE-O 3.31Å; K915-V957 WeakPolarHBondContact CE-O 3.5Å; K915-V957 HydrophobicContact CG-CG2 4.03Å; K915-V957 WeakPolarHBondContact CG-O 3.44Å; K915-E958 WeakPolarHBondContact CD-OE1 3.1Å; K915-E958 VanDerWaalsContact CE-OE2 3.28Å; K915-E958 WeakPolarHBondContact CE-OE2 3.45Å; K915-E958 IonicContact NZ-OE2 2.86Å; K915-E958 PolarHBondContact NZ-OE2 2.87Å; K915-I959 HydrophobicContact CB-CD1 4.14Å; K915-I959 HydrophobicContact CB-CG1 4.09Å; K915-F1007 PolarHBondContact NZ-O 3.41Å
916T96.3Very high95.1Very high48 Ų4840.5 Ų40.529%0.29421%0.207SC..EExtended strand (participates in β ladder)trans-136.3140.7-172.5500000111.5V874 F876 L881 F920 I921V874-T916 HydrophobicContact CG2-CG2 3.67Å; F876-T916 HydrophobicContact CB-CG2 4.31Å; F876-T916 HydrophobicContact CD2-CG2 3.47Å; F876-T916 VanDerWaalsContact CD2-CG2 3.47Å; F876-T916 HydrophobicContact CE2-CG2 4.1Å; F876-T916 HydrophobicContact CG-CG2 4.17Å; L881-T916 HydrophobicContact CD2-CG2 3.94Å; T916-F920 WeakPolarHBondContact CA-O 3.41Å; T916-I921 HydrophobicContact CG2-CG1 4.08Å
917K93.5Very high95.1Very high77 Ų7736.9 Ų36.934%0.33520%0.196SC..EExtended strand (participates in β ladder)trans-148.2117.3172.6-171.1-177-174.9-165.70109.6D919 F920 I959 D961 D962K917-D919 PolarHBondContact O-N 3.38Å; K917-F920 PolarHBondContact N-O 3.42Å; K917-F920 WeakPolarHBondContact O-CB 3.45Å; K917-F920 PolarHBondContact O-N 2.83Å; K917-I959 HydrophobicContact CB-CD1 3.77Å; K917-I959 HydrophobicContact CB-CG2 4.09Å; K917-I959 HydrophobicContact CD-CG2 3.75Å; K917-D961 VanDerWaalsContact NZ-C 3.25Å; K917-D962 WeakPolarHBondContact CE-OD1 3.34Å; K917-D962 IonicContact NZ-OD1 2.81Å; K917-D962 PolarHBondContact NZ-OD1 2.81Å
918G90.2Very high95.3Very high57 Ų5737.3 Ų37.359%0.58819%0.192SC*.THydrogen-bonded Turntrans57.2-127.3-170.300000110.4F876F876-G918 VanDerWaalsContact CE2-O 3.25Å; F876-G918 WeakPolarHBondContact CE2-O 3.1Å
919D90.2Very high95.5Very high79 Ų7936.7 Ų36.742%0.42219%0.189SC..THydrogen-bonded Turntrans-90.22177.4-65.3-40.8000114.1N877 K917 Y935N877-D919 PolarHBondContact ND2-OD1 2.8Å; K917-D919 PolarHBondContact O-N 3.38Å; D919-Y935 PolarHBondContact O-N 2.88Å; D919-Y935 VanDerWaalsContact O-N 3.13Å
920F94.5Very high95.6Very high53 Ų5333.3 Ų33.323%0.23217%0.171CC..EExtended strand (participates in β ladder)trans-89141.5178.7-60.6-53.1000112T916 K917 L932 L933 A934 I945T916-F920 WeakPolarHBondContact CA-O 3.41Å; K917-F920 PolarHBondContact N-O 3.42Å; K917-F920 WeakPolarHBondContact O-CB 3.45Å; K917-F920 PolarHBondContact O-N 2.83Å; F920-L932 HydrophobicContact CB-CD1 4.04Å; F920-L932 HydrophobicContact CD1-CD2 4.49Å; F920-L932 HydrophobicContact CG-CD1 4.47Å; F920-L933 WeakPolarHBondContact CA-O 3.46Å; F920-A934 HydrophobicContact CD1-CB 4.43Å; F920-I945 HydrophobicContact CD1-CD1 3.59Å; F920-I945 HydrophobicContact CE1-CD1 3.44Å; F920-I945 VanDerWaalsContact CE1-CD1 3.44Å
921I97.3Very high95.7Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-124.5116.6175.1-59.6162.7000107.3F876 L881 L914 K915 T916 V923 L932 L933 F942F876-I921 HydrophobicContact CD1-CD1 4.36Å; F876-I921 HydrophobicContact CD2-CG1 4.26Å; F876-I921 HydrophobicContact CE1-CD1 3.92Å; F876-I921 HydrophobicContact CE1-CG1 4.3Å; F876-I921 HydrophobicContact CE2-CD1 4.33Å; F876-I921 HydrophobicContact CE2-CG1 3.8Å; F876-I921 HydrophobicContact CZ-CD1 3.89Å; F876-I921 HydrophobicContact CZ-CG1 3.82Å; L881-I921 HydrophobicContact CD1-CD1 4.02Å; L881-I921 HydrophobicContact CD2-CB 4.32Å; L881-I921 HydrophobicContact CD2-CD1 3.83Å; L881-I921 HydrophobicContact CD2-CG1 3.84Å; L881-I921 HydrophobicContact CD2-CG2 3.54Å; L914-I921 HydrophobicContact CD2-CG2 4.21Å; K915-I921 WeakPolarHBondContact O-CA 3.43Å; T916-I921 HydrophobicContact CG2-CG1 4.08Å; I921-V923 HydrophobicContact CG2-CG2 3.95Å; I921-L932 WeakPolarHBondContact O-CA 3.09Å; I921-L933 HydrophobicContact CB-CB 4.18Å; I921-L933 PolarHBondContact N-O 2.84Å; I921-L933 PolarHBondContact O-N 2.63Å; I921-F942 HydrophobicContact CD1-CD1 3.83Å; I921-F942 HydrophobicContact CD1-CE1 3.26Å; I921-F942 HydrophobicContact CD1-CZ 3.93Å
922L98Very high95.7Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-91.9127.4170.3-174.470.9000108.7L914 K915 V930 L932 V957 I959 F965L914-L922 WeakPolarHBondContact CA-O 3.31Å; K915-L922 HydrophobicContact CB-CB 4.33Å; K915-L922 PolarHBondContact N-O 3.05Å; K915-L922 PolarHBondContact O-N 2.71Å; L922-V930 HydrophobicContact CD1-CB 4.1Å; L922-L932 HydrophobicContact CD1-CD1 4.49Å; L922-V957 HydrophobicContact CD2-CB 4.01Å; L922-V957 HydrophobicContact CD2-CG2 4.24Å; L922-I959 HydrophobicContact CB-CD1 4.01Å; L922-I959 HydrophobicContact CB-CG1 3.9Å; L922-I959 HydrophobicContact CD2-CG1 3.87Å; L922-F965 HydrophobicContact CD1-CB 3.95Å; L922-F965 HydrophobicContact CD1-CD1 3.9Å; L922-F965 HydrophobicContact CD1-CG 3.85Å; L922-F965 HydrophobicContact CD2-CB 4Å; L922-F965 HydrophobicContact CD2-CD1 4.14Å; L922-F965 HydrophobicContact CD2-CG 4.4Å; L922-F965 HydrophobicContact CG-CD1 4.49Å
923V98.2Very high95.7Very high0 Ų030.5 Ų30.50%016%0.157CC..EExtended strand (participates in β ladder)trans-116.6125.6177.1-168.40000108.9V888 A911 Y913 L914 I921 V930 L931 L933V888-V923 HydrophobicContact CG2-CG1 3.9Å; V888-V923 HydrophobicContact CG2-CG2 3.98Å; A911-V923 HydrophobicContact CB-CG1 3.68Å; Y913-V923 WeakPolarHBondContact O-CA 3.46Å; L914-V923 HydrophobicContact CD2-CB 4.17Å; L914-V923 HydrophobicContact CD2-CG1 3.92Å; L914-V923 HydrophobicContact CD2-CG2 3.74Å; I921-V923 HydrophobicContact CG2-CG2 3.95Å; V923-V930 WeakPolarHBondContact O-CA 3.36Å; V923-L931 HydrophobicContact CB-CD1 3.87Å; V923-L931 HydrophobicContact CB-CD2 3.94Å; V923-L931 HydrophobicContact CB-CG 3.71Å; V923-L931 HydrophobicContact CG1-CD2 4.29Å; V923-L931 HydrophobicContact CG2-CD1 3.7Å; V923-L931 HydrophobicContact CG2-CG 4.13Å; V923-L931 PolarHBondContact N-O 2.91Å; V923-L931 PolarHBondContact O-N 2.8Å; V923-L933 HydrophobicContact CG2-CD1 4.11Å; V923-L933 HydrophobicContact CG2-CG 4.38Å
924G97.6Very high95.6Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-93.411816900000110.3L912 Y913L912-G924 PolarHBondContact N-O 2.88Å; Y913-G924 PolarHBondContact N-O 2.87Å; Y913-G924 PolarHBondContact O-N 2.83Å
925D97.1Very high95.4Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-94.3149179.2-175.2-79.8000111.3N908 I909 M910 M927 R928 S929 M954N908-D925 WeakPolarHBondContact CA-OD2 3.32Å; N908-D925 VanDerWaalsContact CB-OD2 3.31Å; N908-D925 WeakPolarHBondContact CB-OD2 3.49Å; I909-D925 PolarHBondContact N-OD2 3.08Å; M910-D925 PolarHBondContact N-OD2 2.87Å; M910-D925 CarbonylContact O-C 3.58Å; M910-D925 VanDerWaalsContact O-CA 3.3Å; M910-D925 WeakPolarHBondContact O-CA 3.44Å; D925-M927 PolarHBondContact O-N 2.99Å; D925-M927 PolarHBondContact OD1-N 2.84Å; D925-R928 HydrophobicContact CB-CB 3.95Å; D925-R928 PolarHBondContact OD1-N 3.37Å; D925-S929 PolarHBondContact N-O 3.08Å; D925-M954 VanDerWaalsContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CG 3.41Å
926L94.7Very high95.2Very high48 Ų4829 Ų2925%0.25115%0.152SC..SBendtrans-53-37.4177.7175.168.2000113.8M910 L912 W953M910-L926 HydrophobicContact CB-CB 3.88Å; M910-L926 HydrophobicContact CB-CD2 4.31Å; M910-L926 PolarHBondContact O-N 3.48Å; M910-L926 HydrophobicContact SD-CD2 4.41Å; L912-L926 HydrophobicContact CD1-CB 3.91Å; L912-L926 HydrophobicContact CD1-CD1 3.81Å; L912-L926 HydrophobicContact CD1-CG 4.47Å; L912-L926 HydrophobicContact CG-CB 4.32Å; L926-W953 HydrophobicContact CD1-CE3 4.13Å; L926-W953 HydrophobicContact CD1-CZ3 4.3Å; L926-W953 HydrophobicContact CG-CE3 4.42Å; L926-W953 HydrophobicContact CG-CZ3 4.46Å; L926-W953 VanDerWaalsContact O-CA 3.23Å; L926-W953 WeakPolarHBondContact O-CA 3.47Å
927M93.3Very high94.8Very high64 Ų6430.6 Ų30.632%0.31516%0.163SC..SBendtrans-135.1-15.6-178.7-52.7176.359.400114.3I909 D925 P951 N952 W953I909-M927 HydrophobicContact CD1-CB 4.06Å; I909-M927 HydrophobicContact CD1-SD 4.27Å; D925-M927 PolarHBondContact O-N 2.99Å; D925-M927 PolarHBondContact OD1-N 2.84Å; M927-P951 CarbonylContact O-C 3.59Å; M927-P951 VanDerWaalsContact O-C 3.25Å; M927-P951 WeakPolarHBondContact O-CA 3.29Å; M927-P951 WeakPolarHBondContact O-CB 3.33Å; M927-N952 CarbonylContact C-O 3.58Å; M927-N952 PolarHBondContact O-N 3.1Å; M927-W953 HydrophobicContact CE-CH2 4.37Å; M927-W953 HydrophobicContact CE-CZ2 3.58Å; M927-W953 HydrophobicContact CG-CD2 4.04Å; M927-W953 HydrophobicContact CG-CE3 4.29Å; M927-W953 HydrophobicContact CG-CH2 4.15Å; M927-W953 HydrophobicContact CG-CZ2 3.89Å; M927-W953 HydrophobicContact CG-CZ3 4.34Å; M927-W953 HydrophobicContact SD-CH2 4.14Å; M927-W953 HydrophobicContact SD-CZ2 3.9Å
928R93.8Very high94.6Very high91 Ų9136.2 Ų36.234%0.34319%0.193SC..SBendtrans-97.130.2-177.5-64.2-177.4168-172.2-6.3113.1N907 I909 D925 V930N907-R928 PolarHBondContact O-NH1 2.93Å; N907-R928 PolarHBondContact OD1-NH1 3.05Å; I909-R928 HydrophobicContact CD1-CG 3.73Å; I909-R928 HydrophobicContact CG1-CG 4.07Å; D925-R928 HydrophobicContact CB-CB 3.95Å; D925-R928 PolarHBondContact OD1-N 3.37Å; R928-V930 PolarHBondContact O-N 3Å
929S95.6Very high94.5Very high0 Ų040 Ų400%020%0.196CC..  trans53.2-127.9178.6-171.10000112D925 D948 N950 N952 M954 F975D925-S929 PolarHBondContact N-O 3.08Å; S929-D948 WeakPolarHBondContact CB-OD2 3.26Å; S929-D948 PolarHBondContact OG-OD2 3.31Å; S929-N950 WeakPolarHBondContact CB-O 3.34Å; S929-N952 PolarHBondContact N-O 3.38Å; S929-M954 WeakPolarHBondContact O-CG 3.5Å; S929-F975 WeakPolarHBondContact OG-CZ 3.34Å
930V96.8Very high94.4Very high2 Ų237.6 Ų37.61%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-114.4146.2-177.5-61.40000112.7L922 V923 R928 D948 M954 V957 F975 C977 L992L922-V930 HydrophobicContact CD1-CB 4.1Å; V923-V930 WeakPolarHBondContact O-CA 3.36Å; R928-V930 PolarHBondContact O-N 3Å; V930-D948 HydrophobicContact CG2-CB 3.95Å; V930-D948 PolarHBondContact O-N 2.91Å; V930-M954 HydrophobicContact CG1-CE 3.87Å; V930-M954 HydrophobicContact CG1-SD 4.5Å; V930-V957 HydrophobicContact CG1-CG1 3.69Å; V930-F975 HydrophobicContact CG1-CZ 4.47Å; V930-F975 HydrophobicContact CG2-CE2 4.46Å; V930-C977 HydrophobicContact CG2-CB 4.19Å; V930-L992 HydrophobicContact CG2-CD1 3.88Å
931L96.4Very high94.3Very high1 Ų137.9 Ų37.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-134.1150.717067.6107.2000110.7N908 V923 L933 R947N908-L931 WeakPolarHBondContact OD1-CD2 3.49Å; V923-L931 HydrophobicContact CB-CD1 3.87Å; V923-L931 HydrophobicContact CB-CD2 3.94Å; V923-L931 HydrophobicContact CB-CG 3.71Å; V923-L931 HydrophobicContact CG1-CD2 4.29Å; V923-L931 HydrophobicContact CG2-CD1 3.7Å; V923-L931 HydrophobicContact CG2-CG 4.13Å; V923-L931 PolarHBondContact N-O 2.91Å; V923-L931 PolarHBondContact O-N 2.8Å; L931-L933 HydrophobicContact CD1-CD1 4.15Å; L931-L933 HydrophobicContact CD1-CD2 3.46Å; L931-L933 VanDerWaalsContact CD1-CD2 3.46Å; L931-L933 HydrophobicContact CD1-CG 3.61Å; L931-R947 HydrophobicContact CB-CB 4.03Å
932L97.1Very high94.2Very high0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-116.3119.6-177.3-172.471.4000109.6F920 I921 L922 I945 A946 F965 K979F920-L932 HydrophobicContact CB-CD1 4.04Å; F920-L932 HydrophobicContact CD1-CD2 4.49Å; F920-L932 HydrophobicContact CG-CD1 4.47Å; I921-L932 WeakPolarHBondContact O-CA 3.09Å; L922-L932 HydrophobicContact CD1-CD1 4.49Å; L932-I945 HydrophobicContact CD2-CB 4.37Å; L932-I945 HydrophobicContact CD2-CD1 4.33Å; L932-I945 HydrophobicContact CD2-CG2 4.42Å; L932-I945 HydrophobicContact CG-CD1 4.44Å; L932-I945 PolarHBondContact O-N 2.79Å; L932-A946 PolarHBondContact N-O 2.86Å; L932-A946 PolarHBondContact O-N 2.88Å; L932-F965 HydrophobicContact CD1-CE1 3.74Å; L932-F965 HydrophobicContact CD1-CE2 4.33Å; L932-F965 HydrophobicContact CD1-CZ 3.62Å; L932-F965 HydrophobicContact CD2-CE2 3.95Å; L932-F965 HydrophobicContact CD2-CZ 3.62Å; L932-F965 HydrophobicContact CG-CZ 4.22Å; L932-K979 HydrophobicContact CD2-CD 3.85Å
933L96.8Very high94Very high0 Ų043.3 Ų43.30%022%0.218CC..EExtended strand (participates in β ladder)trans-105.3146.8172.5-48176000110.1V888 H905 F920 I921 V923 L931 F942 E943 E944V888-L933 HydrophobicContact CG1-CD1 4.47Å; H905-L933 HydrophobicContact CB-CD1 3.78Å; F920-L933 WeakPolarHBondContact CA-O 3.46Å; I921-L933 HydrophobicContact CB-CB 4.18Å; I921-L933 PolarHBondContact N-O 2.84Å; I921-L933 PolarHBondContact O-N 2.63Å; V923-L933 HydrophobicContact CG2-CD1 4.11Å; V923-L933 HydrophobicContact CG2-CG 4.38Å; L931-L933 HydrophobicContact CD1-CD1 4.15Å; L931-L933 HydrophobicContact CD1-CD2 3.46Å; L931-L933 VanDerWaalsContact CD1-CD2 3.46Å; L931-L933 HydrophobicContact CD1-CG 3.61Å; L933-F942 HydrophobicContact CD1-CB 4.37Å; L933-F942 HydrophobicContact CD1-CG 4.4Å; L933-E943 CarbonylContact C-O 3.56Å; L933-E943 VanDerWaalsContact CA-O 3.27Å; L933-E943 WeakPolarHBondContact CA-O 3.28Å; L933-E944 HydrophobicContact CD2-CB 3.96Å; L933-E944 HydrophobicContact CD2-CG 4.23Å
934A94.9Very high93.9Very high5 Ų546 Ų464%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-108.1136159.600000109.6F920 F942 E943 I945F920-A934 HydrophobicContact CD1-CB 4.43Å; A934-F942 WeakPolarHBondContact O-CA 3.4Å; A934-E943 PolarHBondContact N-O 2.93Å; A934-E943 PolarHBondContact O-N 2.81Å; A934-I945 HydrophobicContact CB-CD1 3.22Å; A934-I945 HydrophobicContact CB-CG1 3.77Å
935Y94.7Very high93.7Very high9 Ų948 Ų484%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-82133166.9175-120.7000110.2F876 K879 L890 E902 D919 P937 N941 F942F876-Y935 VanDerWaalsContact CE1-CB 3.48Å; F876-Y935 AromaticContact CE1-CD1 3.72Å; F876-Y935 HydrophobicContact CE1-CD1 3.72Å; F876-Y935 AromaticContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CZ-CD1 4.32Å; F876-Y935 HydrophobicContact CZ-CG 4.33Å; K879-Y935 PolarHBondContact NZ-OH 2.62Å; L890-Y935 HydrophobicContact CD2-CD2 3.93Å; L890-Y935 HydrophobicContact CD2-CE1 4.4Å; L890-Y935 HydrophobicContact CD2-CE2 3.56Å; L890-Y935 HydrophobicContact CD2-CG 4.5Å; E902-Y935 PolarHBondContact OE1-OH 2.81Å; D919-Y935 PolarHBondContact O-N 2.88Å; D919-Y935 VanDerWaalsContact O-N 3.13Å; Y935-P937 HydrophobicContact CD1-CG 3.85Å; Y935-P937 HydrophobicContact CE1-CB 3.88Å; Y935-P937 HydrophobicContact CE1-CG 3.62Å; Y935-P937 WeakPolarHBondContact O-CD 3.22Å; Y935-N941 WeakPolarHBondContact CD2-O 3.2Å; Y935-F942 HydrophobicContact CD2-CD1 4.08Å; Y935-F942 AromaticContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CG-CE1 4.35Å
936K93.1Very high93.6Very high75 Ų7548 Ų4833%0.32624%0.242SC..EExtended strand (participates in β ladder)trans-108.397.8173.5-60.2-59.8-171.5-171.60109.7M938 E939 G940 N941 E943K936-M938 PolarHBondContact O-N 2.83Å; K936-M938 VanDerWaalsContact O-N 3.14Å; K936-E939 HydrophobicContact CB-CB 4.05Å; K936-E939 HydrophobicContact CB-CG 4.34Å; K936-E939 PolarHBondContact O-N 3.25Å; K936-E939 VanDerWaalsContact O-N 3.09Å; K936-G940 PolarHBondContact O-N 2.87Å; K936-N941 WeakPolarHBondContact CB-OD1 3.44Å; K936-N941 PolarHBondContact N-O 2.96Å; K936-N941 VanDerWaalsContact N-O 3.09Å; K936-E943 WeakPolarHBondContact CE-OE2 3.42Å; K936-E943 HydrophobicContact CG-CB 4.47Å; K936-E943 IonicContact NZ-OE2 2.74Å; K936-E943 PolarHBondContact NZ-OE2 3.03Å
937P87.3Confident93.7Very high81 Ų8146.7 Ų46.753%0.52623%0.233SC..THydrogen-bonded Turntrans-58.5-32.4-174.8-23.730.4000114.4Y935Y935-P937 HydrophobicContact CD1-CG 3.85Å; Y935-P937 HydrophobicContact CE1-CB 3.88Å; Y935-P937 HydrophobicContact CE1-CG 3.62Å; Y935-P937 WeakPolarHBondContact O-CD 3.22Å
938M88.8Confident93.8Very high195 Ų19543.7 Ų43.796%0.96122%0.219SC*.THydrogen-bonded Turntrans-73.9-31179.8-69.2-170.716800113.3K936K936-M938 PolarHBondContact O-N 2.83Å; K936-M938 VanDerWaalsContact O-N 3.14Å
939E88.2Confident93.7Very high137 Ų13745.7 Ų45.764%0.6423%0.23SC*.THydrogen-bonded Turntrans-92.9-19.9-179.2-64.3-179-156.600112K936 N941K936-E939 HydrophobicContact CB-CB 4.05Å; K936-E939 HydrophobicContact CB-CG 4.34Å; K936-E939 PolarHBondContact O-N 3.25Å; K936-E939 VanDerWaalsContact O-N 3.09Å; E939-N941 VanDerWaalsContact C-N 3.29Å; E939-N941 WeakPolarHBondContact CB-OD1 3.2Å; E939-N941 PolarHBondContact O-N 3.42Å; E939-N941 PolarHBondContact OE2-ND2 3.18Å; E939-N941 PolarHBondContact OE2-OD1 3.42Å
940G88Confident93.6Very high28 Ų2847.6 Ų47.629%0.28924%0.24SC..THydrogen-bonded Turntrans63.635.8-176.300000112C903 K936C903-G940 WeakPolarHBondContact CB-O 3.21Å; K936-G940 PolarHBondContact O-N 2.87Å
941N93.4Very high93.3Very high60 Ų6049.7 Ų49.732%0.32125%0.254SS..EExtended strand (participates in β ladder)trans-135.4169.8-179.767.16.4000111.3Y935 K936 E939Y935-N941 WeakPolarHBondContact CD2-O 3.2Å; K936-N941 WeakPolarHBondContact CB-OD1 3.44Å; K936-N941 PolarHBondContact N-O 2.96Å; K936-N941 VanDerWaalsContact N-O 3.09Å; E939-N941 VanDerWaalsContact C-N 3.29Å; E939-N941 WeakPolarHBondContact CB-OD1 3.2Å; E939-N941 PolarHBondContact O-N 3.42Å; E939-N941 PolarHBondContact OE2-ND2 3.18Å; E939-N941 PolarHBondContact OE2-OD1 3.42Å
942F95.1Very high93.2Very high21 Ų2150 Ų509%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-102.2134.1167.6-65-55.5000109.3L881 V888 L890 C903 H905 I921 L933 A934 Y935L881-F942 HydrophobicContact CD1-CE1 4.3Å; L881-F942 HydrophobicContact CD1-CE2 4.35Å; L881-F942 HydrophobicContact CD1-CZ 3.55Å; V888-F942 HydrophobicContact CG1-CE2 4.4Å; L890-F942 HydrophobicContact CB-CE2 4.32Å; L890-F942 HydrophobicContact CB-CZ 3.77Å; L890-F942 HydrophobicContact CD2-CZ 4.41Å; C903-F942 WeakPolarHBondContact SG-CE2 3.42Å; C903-F942 VanDerWaalsContact SG-CZ 3.58Å; H905-F942 HydrophobicContact CB-CB 4.09Å; H905-F942 HydrophobicContact CB-CD2 3.67Å; H905-F942 HydrophobicContact CB-CG 4.27Å; I921-F942 HydrophobicContact CD1-CD1 3.83Å; I921-F942 HydrophobicContact CD1-CE1 3.26Å; I921-F942 HydrophobicContact CD1-CZ 3.93Å; L933-F942 HydrophobicContact CD1-CB 4.37Å; L933-F942 HydrophobicContact CD1-CG 4.4Å; A934-F942 WeakPolarHBondContact O-CA 3.4Å; Y935-F942 HydrophobicContact CD2-CD1 4.08Å; Y935-F942 AromaticContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CG-CE1 4.35Å
943E94.2Very high93.1Very high92 Ų9255.4 Ų55.443%0.4328%0.276SS..EExtended strand (participates in β ladder)trans-101.7125.5169.4-177.8-178.3-151.900108.6L933 A934 K936 I945L933-E943 CarbonylContact C-O 3.56Å; L933-E943 VanDerWaalsContact CA-O 3.27Å; L933-E943 WeakPolarHBondContact CA-O 3.28Å; A934-E943 PolarHBondContact N-O 2.93Å; A934-E943 PolarHBondContact O-N 2.81Å; K936-E943 WeakPolarHBondContact CE-OE2 3.42Å; K936-E943 HydrophobicContact CG-CB 4.47Å; K936-E943 IonicContact NZ-OE2 2.74Å; K936-E943 PolarHBondContact NZ-OE2 3.03Å; E943-I945 PolarHBondContact O-N 2.82Å
944E94.6Very high93.1Very high58 Ų5855.9 Ų55.927%0.27128%0.278SS..EExtended strand (participates in β ladder)trans-75.3108.5169.7-174.3175155.100108H905 L933 R947H905-E944 IonicContact CE1-OE2 2.73Å; H905-E944 PolarHBondContact CE1-OE2 3.04Å; H905-E944 IonicContact NE2-OE2 3.2Å; L933-E944 HydrophobicContact CD2-CB 3.96Å; L933-E944 HydrophobicContact CD2-CG 4.23Å; E944-R947 WeakPolarHBondContact OE1-CD 3.19Å; E944-R947 IonicContact OE1-CZ 3.42Å; E944-R947 IonicContact OE1-NE 2.81Å; E944-R947 IonicContact OE1-NH1 3.23Å; E944-R947 PolarHBondContact OE1-NH1 2.96Å
945I93.8Very high93.2Very high40 Ų4055.8 Ų55.821%0.20528%0.277CS..EExtended strand (participates in β ladder)trans-80.7-50.3-177.5-62.1168.8000110F920 L932 A934 E943 K979 Q990F920-I945 HydrophobicContact CD1-CD1 3.59Å; F920-I945 HydrophobicContact CE1-CD1 3.44Å; F920-I945 VanDerWaalsContact CE1-CD1 3.44Å; L932-I945 HydrophobicContact CD2-CB 4.37Å; L932-I945 HydrophobicContact CD2-CD1 4.33Å; L932-I945 HydrophobicContact CD2-CG2 4.42Å; L932-I945 HydrophobicContact CG-CD1 4.44Å; L932-I945 PolarHBondContact O-N 2.79Å; A934-I945 HydrophobicContact CB-CD1 3.22Å; A934-I945 HydrophobicContact CB-CG1 3.77Å; E943-I945 PolarHBondContact O-N 2.82Å; I945-K979 HydrophobicContact CG2-CD 4.46Å; I945-Q990 WeakPolarHBondContact O-CA 3.11Å
946A95.8Very high93.4Very high1 Ų155.5 Ų55.51%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-157.4158.1-173.700000111.6L932 R989 Q990 L992L932-A946 PolarHBondContact N-O 2.86Å; L932-A946 PolarHBondContact O-N 2.88Å; A946-R989 WeakPolarHBondContact CB-O 3.27Å; A946-Q990 CarbonylContact C-O 3.58Å; A946-Q990 VanDerWaalsContact CA-O 3.23Å; A946-Q990 WeakPolarHBondContact CA-O 3.41Å; A946-L992 HydrophobicContact CB-CD2 3.67Å; A946-L992 HydrophobicContact CB-CG 3.74Å
947R95.7Very high93.6Very high21 Ų2152.1 Ų52.18%0.07926%0.263CS..EExtended strand (participates in β ladder)trans-145155.917374.2-172.4-60.1141.29.1112.7N907 L931 E944 F949 Q990 L992N907-R947 PolarHBondContact ND2-NH1 2.89Å; L931-R947 HydrophobicContact CB-CB 4.03Å; E944-R947 WeakPolarHBondContact OE1-CD 3.19Å; E944-R947 IonicContact OE1-CZ 3.42Å; E944-R947 IonicContact OE1-NE 2.81Å; E944-R947 IonicContact OE1-NH1 3.23Å; E944-R947 PolarHBondContact OE1-NH1 2.96Å; R947-F949 HydrophobicContact CG-CD1 4.02Å; R947-F949 HydrophobicContact CG-CD2 4.15Å; R947-F949 HydrophobicContact CG-CE1 3.7Å; R947-F949 HydrophobicContact CG-CE2 3.79Å; R947-F949 HydrophobicContact CG-CG 4.25Å; R947-F949 HydrophobicContact CG-CZ 3.54Å; R947-Q990 PolarHBondContact N-O 3.3Å; R947-L992 PolarHBondContact O-N 3.38Å
948D95.5Very high94.1Very high1 Ų148.8 Ų48.81%0.00524%0.24CC..  trans-82134.8160.1-178.917.4000109.1S929 V930 N950 N952 L992S929-D948 WeakPolarHBondContact CB-OD2 3.26Å; S929-D948 PolarHBondContact OG-OD2 3.31Å; V930-D948 HydrophobicContact CG2-CB 3.95Å; V930-D948 PolarHBondContact O-N 2.91Å; D948-N950 WeakPolarHBondContact OD1-CB 3.49Å; D948-N950 PolarHBondContact OD1-N 3.21Å; D948-N950 PolarHBondContact OD1-ND2 3.03Å; D948-N952 PolarHBondContact OD2-ND2 3.38Å; D948-L992 HydrophobicContact CB-CB 4.43Å
949F92.5Very high94.4Very high132 Ų13239.8 Ų39.858%0.57920%0.196SC*.  trans-97.9-4.7179.8-68.2-80.4000112.5R947 H991R947-F949 HydrophobicContact CG-CD1 4.02Å; R947-F949 HydrophobicContact CG-CD2 4.15Å; R947-F949 HydrophobicContact CG-CE1 3.7Å; R947-F949 HydrophobicContact CG-CE2 3.79Å; R947-F949 HydrophobicContact CG-CG 4.25Å; R947-F949 HydrophobicContact CG-CZ 3.54Å; F949-H991 AromaticContact CD2-ND1 3.4Å; F949-H991 WeakPolarHBondContact CD2-ND1 3.42Å; F949-H991 HydrophobicContact CE2-CB 4.23Å; F949-H991 AromaticContact CE2-ND1 3.86Å
950N92.6Very high94.7Very high41 Ų4134.5 Ų34.522%0.21917%0.172CC..SBendtrans-70.9138.3172.1-66.8-70.8000110.4S929 D948 N952 E994S929-N950 WeakPolarHBondContact CB-O 3.34Å; D948-N950 WeakPolarHBondContact OD1-CB 3.49Å; D948-N950 PolarHBondContact OD1-N 3.21Å; D948-N950 PolarHBondContact OD1-ND2 3.03Å; N950-N952 VanDerWaalsContact C-N 3.3Å; N950-N952 PolarHBondContact O-N 3.46Å; N950-E994 PolarHBondContact ND2-OE1 3.44Å; N950-E994 VanDerWaalsContact ND2-OE1 3.13Å; N950-E994 PolarHBondContact ND2-OE2 3.22Å
951P92Very high94.9Very high45 Ų4535.4 Ų35.429%0.29217%0.17SC..  trans-86.474.8176.832.5-30.3000110.9M927 R1080M927-P951 CarbonylContact O-C 3.59Å; M927-P951 VanDerWaalsContact O-C 3.25Å; M927-P951 WeakPolarHBondContact O-CA 3.29Å; M927-P951 WeakPolarHBondContact O-CB 3.33Å; P951-R1080 VanDerWaalsContact CG-CZ 3.45Å
952N92.9Very high94.8Very high9 Ų936.8 Ų36.85%0.04818%0.177CC..  trans-88.9133175.2-61-27.8000109.3M927 S929 D948 N950 M954 E969 F975M927-N952 CarbonylContact C-O 3.58Å; M927-N952 PolarHBondContact O-N 3.1Å; S929-N952 PolarHBondContact N-O 3.38Å; D948-N952 PolarHBondContact OD2-ND2 3.38Å; N950-N952 VanDerWaalsContact C-N 3.3Å; N950-N952 PolarHBondContact O-N 3.46Å; N952-M954 HydrophobicContact CB-SD 3.98Å; N952-M954 PolarHBondContact O-N 2.85Å; N952-E969 HydrophobicContact CB-CB 4.33Å; N952-F975 HydrophobicContact CB-CE1 4.39Å; N952-F975 HydrophobicContact CB-CZ 4.43Å
953W94.6Very high94.7Very high113 Ų11338.6 Ų38.643%0.42819%0.188SC..  trans-87.497.8-179.9-7464.7000109.8L926 M927 E969 N970L926-W953 HydrophobicContact CD1-CE3 4.13Å; L926-W953 HydrophobicContact CD1-CZ3 4.3Å; L926-W953 HydrophobicContact CG-CE3 4.42Å; L926-W953 HydrophobicContact CG-CZ3 4.46Å; L926-W953 VanDerWaalsContact O-CA 3.23Å; L926-W953 WeakPolarHBondContact O-CA 3.47Å; M927-W953 HydrophobicContact CE-CH2 4.37Å; M927-W953 HydrophobicContact CE-CZ2 3.58Å; M927-W953 HydrophobicContact CG-CD2 4.04Å; M927-W953 HydrophobicContact CG-CE3 4.29Å; M927-W953 HydrophobicContact CG-CH2 4.15Å; M927-W953 HydrophobicContact CG-CZ2 3.89Å; M927-W953 HydrophobicContact CG-CZ3 4.34Å; M927-W953 HydrophobicContact SD-CH2 4.14Å; M927-W953 HydrophobicContact SD-CZ2 3.9Å; W953-E969 CarbonylContact O-C 3.59Å; W953-E969 WeakPolarHBondContact O-CA 3.31Å; W953-E969 VanDerWaalsContact O-CB 3.3Å; W953-E969 WeakPolarHBondContact O-CB 3.4Å; W953-N970 HydrophobicContact CB-CB 4.18Å; W953-N970 VanDerWaalsContact CB-CG 3.49Å; W953-N970 WeakPolarHBondContact CB-ND2 3.3Å; W953-N970 PolarHBondContact O-N 2.98Å
954M97.2Very high94.7Very high9 Ų934.8 Ų34.84%0.04417%0.17CC..EExtended strand (participates in β ladder)trans-71.5136.4-166.1-59.8-51.1-65.200112.9Y913 D925 S929 V930 N952 A956 V957 A968 F975Y913-M954 HydrophobicContact CD2-CB 4.27Å; Y913-M954 HydrophobicContact CE2-CB 4.07Å; Y913-M954 WeakPolarHBondContact CE2-O 3.42Å; D925-M954 VanDerWaalsContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CG 3.41Å; S929-M954 WeakPolarHBondContact O-CG 3.5Å; V930-M954 HydrophobicContact CG1-CE 3.87Å; V930-M954 HydrophobicContact CG1-SD 4.5Å; N952-M954 HydrophobicContact CB-SD 3.98Å; N952-M954 PolarHBondContact O-N 2.85Å; M954-A956 WeakPolarHBondContact CE-O 3.32Å; M954-V957 HydrophobicContact CE-CG1 3.55Å; M954-A968 VanDerWaalsContact CE-O 3.29Å; M954-A968 WeakPolarHBondContact CE-O 3.12Å; M954-F975 HydrophobicContact CE-CE1 3.69Å; M954-F975 HydrophobicContact CE-CZ 3.53Å; M954-F975 HydrophobicContact SD-CE1 3.83Å; M954-F975 HydrophobicContact SD-CZ 3.63Å
955S97.4Very high94.9Very high3 Ų332.1 Ų32.12%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-113.8-23.6172.861.60000112.8Y913 A968 E969 V1004 N1005Y913-S955 WeakPolarHBondContact CE1-O 3.41Å; Y913-S955 PolarHBondContact OH-O 3.1Å; Y913-S955 VanDerWaalsContact OH-O 3.05Å; S955-A968 PolarHBondContact N-O 2.87Å; S955-A968 VanDerWaalsContact OG-C 3.24Å; S955-A968 WeakPolarHBondContact OG-CB 3.34Å; S955-A968 PolarHBondContact OG-O 2.81Å; S955-E969 PolarHBondContact OG-N 2.84Å; S955-V1004 WeakPolarHBondContact CB-O 3.49Å; S955-V1004 PolarHBondContact OG-O 2.81Å; S955-N1005 WeakPolarHBondContact O-CA 3.48Å
956A97.9Very high95Very high4 Ų430.2 Ų30.23%0.03315%0.148CC..EExtended strand (participates in β ladder)trans-163.3157.1170.500000111M954 A968 V1004 F1007M954-A956 WeakPolarHBondContact CE-O 3.32Å; A956-A968 HydrophobicContact CB-CB 4.31Å; A956-A968 PolarHBondContact N-O 3.12Å; A956-A968 PolarHBondContact O-N 2.84Å; A956-V1004 HydrophobicContact CB-CG1 4.32Å; A956-F1007 HydrophobicContact CB-CD2 3.41Å; A956-F1007 VanDerWaalsContact CB-CD2 3.41Å; A956-F1007 HydrophobicContact CB-CE2 3.45Å; A956-F1007 VanDerWaalsContact CB-CE2 3.45Å; A956-F1007 HydrophobicContact CB-CG 4.36Å; A956-F1007 HydrophobicContact CB-CZ 4.42Å
957V98.2Very high95.1Very high4 Ų430.1 Ų30.12%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-139.5150.6173.8-58.70000111.3Y913 K915 L922 V930 M954 L966Y913-V957 HydrophobicContact CG-CG2 4.47Å; K915-V957 VanDerWaalsContact CE-O 3.31Å; K915-V957 WeakPolarHBondContact CE-O 3.5Å; K915-V957 HydrophobicContact CG-CG2 4.03Å; K915-V957 WeakPolarHBondContact CG-O 3.44Å; L922-V957 HydrophobicContact CD2-CB 4.01Å; L922-V957 HydrophobicContact CD2-CG2 4.24Å; V930-V957 HydrophobicContact CG1-CG1 3.69Å; M954-V957 HydrophobicContact CE-CG1 3.55Å; V957-L966 CarbonylContact C-O 3.56Å; V957-L966 WeakPolarHBondContact CA-O 3.47Å
958E97.4Very high95.3Very high11 Ų1129.2 Ų29.25%0.05114%0.144CC..EExtended strand (participates in β ladder)trans-151.1152.4172.2-167.252.2-8500112.2K915 L966 F1007 H1009 V1028K915-E958 WeakPolarHBondContact CD-OE1 3.1Å; K915-E958 VanDerWaalsContact CE-OE2 3.28Å; K915-E958 WeakPolarHBondContact CE-OE2 3.45Å; K915-E958 IonicContact NZ-OE2 2.86Å; K915-E958 PolarHBondContact NZ-OE2 2.87Å; E958-L966 PolarHBondContact N-O 2.89Å; E958-L966 PolarHBondContact O-N 3.31Å; E958-F1007 HydrophobicContact CB-CB 3.69Å; E958-F1007 HydrophobicContact CB-CD2 3.95Å; E958-F1007 HydrophobicContact CB-CG 3.89Å; E958-F1007 HydrophobicContact CG-CB 4.11Å; E958-H1009 IonicContact OE1-CD2 3.72Å; E958-H1009 IonicContact OE1-NE2 2.69Å; E958-H1009 IonicContact OE2-CD2 2.81Å; E958-V1028 HydrophobicContact CB-CG1 4.22Å; E958-V1028 HydrophobicContact CG-CG1 3.83Å; E958-V1028 HydrophobicContact CG-CG2 3.97Å
959I96.5Very high95.3Very high6 Ų629.3 Ų29.33%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-92.4118.8173.6-58175000108.4K915 K917 L922 D961 F965 H1009K915-I959 HydrophobicContact CB-CD1 4.14Å; K915-I959 HydrophobicContact CB-CG1 4.09Å; K917-I959 HydrophobicContact CB-CD1 3.77Å; K917-I959 HydrophobicContact CB-CG2 4.09Å; K917-I959 HydrophobicContact CD-CG2 3.75Å; L922-I959 HydrophobicContact CB-CD1 4.01Å; L922-I959 HydrophobicContact CB-CG1 3.9Å; L922-I959 HydrophobicContact CD2-CG1 3.87Å; I959-D961 WeakPolarHBondContact CG2-O 3.4Å; I959-F965 HydrophobicContact CB-CD1 4.48Å; I959-F965 HydrophobicContact CG1-CD1 4.1Å; I959-F965 HydrophobicContact CG1-CE1 4.45Å; I959-F965 HydrophobicContact CG2-CD1 4.19Å; I959-F965 HydrophobicContact CG2-CE1 4.2Å; I959-H1009 PolarHBondContact O-CE1 2.86Å; I959-H1009 VanDerWaalsContact O-CE1 3.28Å; I959-H1009 PolarHBondContact O-NE2 3.36Å
960L94.3Very high95.4Very high26 Ų2626.5 Ų26.514%0.13614%0.136CC..  trans-80.9-51.2176.6-62.9178000110.7N964 L966 V976 V1028 V1040L960-N964 HydrophobicContact CB-CB 4.25Å; L960-N964 WeakPolarHBondContact CB-O 3.38Å; L960-N964 HydrophobicContact CD1-CB 4.42Å; L960-N964 PolarHBondContact N-O 3.22Å; L960-L966 HydrophobicContact CD1-CB 4.15Å; L960-L966 HydrophobicContact CD2-CB 4.02Å; L960-L966 HydrophobicContact CD2-CD2 4.16Å; L960-L966 HydrophobicContact CG-CB 3.91Å; L960-V976 HydrophobicContact CD1-CG1 4.29Å; L960-V976 HydrophobicContact CD1-CG2 4.05Å; L960-V1028 HydrophobicContact CD2-CB 4.42Å; L960-V1028 HydrophobicContact CD2-CG2 3.83Å; L960-V1040 HydrophobicContact CD2-CG1 4.35Å
961D91.8Very high95.6Very high46 Ų4625.6 Ų25.625%0.24613%0.134CC..SBendtrans-147.1-162.7179.462.747.3000111.2K917 I959 D963 N964K917-D961 VanDerWaalsContact NZ-C 3.25Å; I959-D961 WeakPolarHBondContact CG2-O 3.4Å; D961-D963 VanDerWaalsContact C-N 3.25Å; D961-D963 PolarHBondContact O-N 2.96Å; D961-D963 PolarHBondContact OD1-N 2.6Å; D961-N964 PolarHBondContact N-O 2.86Å; D961-N964 WeakPolarHBondContact OD1-CB 3.16Å; D961-N964 PolarHBondContact OD1-N 3.16Å; D961-N964 PolarHBondContact OD1-ND2 3.07Å; D961-N964 PolarHBondContact OD2-ND2 3Å
962D90.8Very high95.8Very high89 Ų8926.3 Ų26.348%0.47613%0.133SC..SBendtrans-72.9-17.6-176.2-66.9-15.1000113.7K917 K979K917-D962 WeakPolarHBondContact CE-OD1 3.34Å; K917-D962 IonicContact NZ-OD1 2.81Å; K917-D962 PolarHBondContact NZ-OD1 2.81Å; D962-K979 WeakPolarHBondContact O-CE 3.31Å
963D92.9Very high96.1Very high59 Ų5926 Ų2632%0.31613%0.131SC..SBendtrans-124.6-15.6-175.3-63-48.3000113.1D961 Q978 K979D961-D963 VanDerWaalsContact C-N 3.25Å; D961-D963 PolarHBondContact O-N 2.96Å; D961-D963 PolarHBondContact OD1-N 2.6Å; D963-Q978 CarbonylContact O-C 3.49Å; D963-Q978 VanDerWaalsContact O-CA 3.23Å; D963-Q978 WeakPolarHBondContact O-CA 3.39Å; D963-K979 PolarHBondContact O-N 2.82Å; D963-K979 WeakPolarHBondContact OD1-CE 3.46Å; D963-K979 IonicContact OD1-NZ 3.66Å; D963-K979 PolarHBondContact OD1-NZ 2.76Å
964N95.2Very high96.2Very high12 Ų1220.6 Ų20.66%0.06411%0.111CC..EExtended strand (participates in β ladder)trans-115129.7-174.1-60.9-82.1000112.7S2 L960 D961 V976 C977 Q978S2-N964 WeakPolarHBondContact CB-OD1 3.48Å; S2-N964 PolarHBondContact OG-OD1 3.28Å; L960-N964 HydrophobicContact CB-CB 4.25Å; L960-N964 WeakPolarHBondContact CB-O 3.38Å; L960-N964 HydrophobicContact CD1-CB 4.42Å; L960-N964 PolarHBondContact N-O 3.22Å; D961-N964 PolarHBondContact N-O 2.86Å; D961-N964 WeakPolarHBondContact OD1-CB 3.16Å; D961-N964 PolarHBondContact OD1-N 3.16Å; D961-N964 PolarHBondContact OD1-ND2 3.07Å; D961-N964 PolarHBondContact OD2-ND2 3Å; N964-V976 HydrophobicContact CB-CG1 4.01Å; N964-C977 WeakPolarHBondContact CA-O 3.4Å; N964-Q978 PolarHBondContact OD1-NE2 3.36Å
965F97.1Very high96.3Very high2 Ų220.2 Ų20.21%0.00911%0.109CC..EExtended strand (participates in β ladder)trans-124.9123.9-175.9-47.1-69.4000110.3L922 L932 I959 V976 C977 K979 L992L922-F965 HydrophobicContact CD1-CB 3.95Å; L922-F965 HydrophobicContact CD1-CD1 3.9Å; L922-F965 HydrophobicContact CD1-CG 3.85Å; L922-F965 HydrophobicContact CD2-CB 4Å; L922-F965 HydrophobicContact CD2-CD1 4.14Å; L922-F965 HydrophobicContact CD2-CG 4.4Å; L922-F965 HydrophobicContact CG-CD1 4.49Å; L932-F965 HydrophobicContact CD1-CE1 3.74Å; L932-F965 HydrophobicContact CD1-CE2 4.33Å; L932-F965 HydrophobicContact CD1-CZ 3.62Å; L932-F965 HydrophobicContact CD2-CE2 3.95Å; L932-F965 HydrophobicContact CD2-CZ 3.62Å; L932-F965 HydrophobicContact CG-CZ 4.22Å; I959-F965 HydrophobicContact CB-CD1 4.48Å; I959-F965 HydrophobicContact CG1-CD1 4.1Å; I959-F965 HydrophobicContact CG1-CE1 4.45Å; I959-F965 HydrophobicContact CG2-CD1 4.19Å; I959-F965 HydrophobicContact CG2-CE1 4.2Å; F965-V976 CarbonylContact O-C 3.52Å; F965-V976 VanDerWaalsContact O-CA 3.31Å; F965-V976 WeakPolarHBondContact O-CA 3.28Å; F965-C977 HydrophobicContact CB-CB 4.49Å; F965-C977 WeakPolarHBondContact CD2-O 3.27Å; F965-C977 PolarHBondContact N-O 3.08Å; F965-C977 PolarHBondContact O-N 3.25Å; F965-K979 HydrophobicContact CE2-CB 3.94Å; F965-K979 HydrophobicContact CZ-CB 4.5Å; F965-L992 HydrophobicContact CD2-CD1 4.43Å; F965-L992 HydrophobicContact CD2-CD2 4.03Å; F965-L992 HydrophobicContact CE2-CD2 3.84Å
966L97.8Very high96.3Very high0 Ų020 Ų200%011%0.108CC..EExtended strand (participates in β ladder)trans-90.3135.1179.3179.866.1000110.4V957 E958 L960 V976 F1007 V1028 V1040 F1088V957-L966 CarbonylContact C-O 3.56Å; V957-L966 WeakPolarHBondContact CA-O 3.47Å; E958-L966 PolarHBondContact N-O 2.89Å; E958-L966 PolarHBondContact O-N 3.31Å; L960-L966 HydrophobicContact CD1-CB 4.15Å; L960-L966 HydrophobicContact CD2-CB 4.02Å; L960-L966 HydrophobicContact CD2-CD2 4.16Å; L960-L966 HydrophobicContact CG-CB 3.91Å; L966-V976 HydrophobicContact CD1-CG2 4.05Å; L966-F1007 HydrophobicContact CD2-CD1 3.95Å; L966-F1007 HydrophobicContact CD2-CE1 3.45Å; L966-F1007 VanDerWaalsContact CD2-CE1 3.45Å; L966-F1007 HydrophobicContact CD2-CE2 4.3Å; L966-F1007 HydrophobicContact CD2-CZ 3.66Å; L966-F1007 HydrophobicContact CG-CE1 4.17Å; L966-F1007 HydrophobicContact CG-CE2 4.25Å; L966-F1007 HydrophobicContact CG-CZ 3.83Å; L966-V1028 HydrophobicContact CD2-CG1 4.3Å; L966-V1040 HydrophobicContact CD2-CB 4.19Å; L966-V1040 HydrophobicContact CD2-CG1 4.32Å; L966-V1040 HydrophobicContact CD2-CG2 4.06Å; L966-F1088 HydrophobicContact CD1-CZ 4.07Å
967G98Very high96.2Very high0 Ų019.9 Ų19.90%011%0.106CC..EExtended strand (participates in β ladder)trans-129.1145.8173.700000112L974 F975G967-L974 WeakPolarHBondContact O-CA 3.34Å; G967-F975 PolarHBondContact N-O 2.9Å; G967-F975 WeakPolarHBondContact O-CD1 3.11Å; G967-F975 PolarHBondContact O-N 2.71Å
968A98.3Very high96.1Very high1 Ų121.6 Ų21.61%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-118.4147.2164.700000110M954 S955 A956 N973 L974 V1004 F1007M954-A968 VanDerWaalsContact CE-O 3.29Å; M954-A968 WeakPolarHBondContact CE-O 3.12Å; S955-A968 PolarHBondContact N-O 2.87Å; S955-A968 VanDerWaalsContact OG-C 3.24Å; S955-A968 WeakPolarHBondContact OG-CB 3.34Å; S955-A968 PolarHBondContact OG-O 2.81Å; A956-A968 HydrophobicContact CB-CB 4.31Å; A956-A968 PolarHBondContact N-O 3.12Å; A956-A968 PolarHBondContact O-N 2.84Å; A968-N973 WeakPolarHBondContact CA-O 3.49Å; A968-L974 HydrophobicContact CB-CD2 3.9Å; A968-V1004 HydrophobicContact CB-CB 3.73Å; A968-V1004 HydrophobicContact CB-CG1 4.01Å; A968-F1007 HydrophobicContact CB-CE2 4Å; A968-F1007 HydrophobicContact CB-CZ 3.88Å
969E96.1Very high95.9Very high3 Ų322.2 Ų22.21%0.01412%0.116CC..EExtended strand (participates in β ladder)trans-137.3170.2-177.161.570.4-123.300113.5N952 W953 S955 A971 F972 N973 F975N952-E969 HydrophobicContact CB-CB 4.33Å; W953-E969 CarbonylContact O-C 3.59Å; W953-E969 WeakPolarHBondContact O-CA 3.31Å; W953-E969 VanDerWaalsContact O-CB 3.3Å; W953-E969 WeakPolarHBondContact O-CB 3.4Å; S955-E969 PolarHBondContact OG-N 2.84Å; E969-A971 VanDerWaalsContact C-N 3.25Å; E969-A971 PolarHBondContact O-N 2.77Å; E969-A971 VanDerWaalsContact OE1-CA 3.26Å; E969-A971 WeakPolarHBondContact OE1-CA 3.5Å; E969-A971 WeakPolarHBondContact OE1-CB 3.37Å; E969-A971 PolarHBondContact OE1-N 3.17Å; E969-A971 VanDerWaalsContact OE1-N 3.12Å; E969-A971 WeakPolarHBondContact OE2-CA 3.45Å; E969-A971 WeakPolarHBondContact OE2-CB 3.38Å; E969-A971 PolarHBondContact OE2-N 2.94Å; E969-F972 PolarHBondContact O-N 3.44Å; E969-F972 VanDerWaalsContact O-N 3.13Å; E969-F972 PolarHBondContact OE1-N 3.1Å; E969-N973 HydrophobicContact CG-CB 4.27Å; E969-N973 PolarHBondContact N-O 3.05Å; E969-N973 WeakPolarHBondContact OE1-CA 3.34Å; E969-N973 WeakPolarHBondContact OE1-CB 3.4Å; E969-N973 VanDerWaalsContact OE1-CG 3.27Å; E969-N973 PolarHBondContact OE1-N 3.46Å; E969-N973 PolarHBondContact OE1-ND2 3.3Å; E969-F975 HydrophobicContact CB-CE1 4.47Å; E969-F975 HydrophobicContact CG-CE1 4.4Å
970N95.4Very high95.6Very high73 Ų7324.2 Ų24.239%0.3913%0.127SC..THydrogen-bonded Turntrans-69.4-12.2-168.774.4-15.6000115.8W953 F972 F1003W953-N970 HydrophobicContact CB-CB 4.18Å; W953-N970 VanDerWaalsContact CB-CG 3.49Å; W953-N970 WeakPolarHBondContact CB-ND2 3.3Å; W953-N970 PolarHBondContact O-N 2.98Å; N970-F972 VanDerWaalsContact C-N 3.29Å; N970-F1003 HydrophobicContact CB-CE2 4.04Å
971A95.8Very high95.1Very high22 Ų2226.5 Ų26.518%0.18215%0.145CC..THydrogen-bonded Turntrans-91.921171.400000113.3E969 N973 H999 H1077E969-A971 VanDerWaalsContact C-N 3.25Å; E969-A971 PolarHBondContact O-N 2.77Å; E969-A971 VanDerWaalsContact OE1-CA 3.26Å; E969-A971 WeakPolarHBondContact OE1-CA 3.5Å; E969-A971 WeakPolarHBondContact OE1-CB 3.37Å; E969-A971 PolarHBondContact OE1-N 3.17Å; E969-A971 VanDerWaalsContact OE1-N 3.12Å; E969-A971 WeakPolarHBondContact OE2-CA 3.45Å; E969-A971 WeakPolarHBondContact OE2-CB 3.38Å; E969-A971 PolarHBondContact OE2-N 2.94Å; A971-N973 VanDerWaalsContact C-N 3.31Å; A971-N973 PolarHBondContact O-N 3.08Å; A971-N973 PolarHBondContact O-ND2 2.91Å; A971-H999 PolarHBondContact O-CE1 2.91Å; A971-H999 VanDerWaalsContact O-CE1 3.26Å; A971-H999 PolarHBondContact O-ND1 2.9Å; A971-H1077 WeakPolarHBondContact CB-O 3.3Å
972F97.3Very high94.8Very high60 Ų6028.5 Ų28.526%0.26317%0.168SC..SBendtrans67.426.4171.6-40.5-84.9000114.1E969 N970 L1000 G1001 F1003E969-F972 PolarHBondContact O-N 3.44Å; E969-F972 VanDerWaalsContact O-N 3.13Å; E969-F972 PolarHBondContact OE1-N 3.1Å; N970-F972 VanDerWaalsContact C-N 3.29Å; F972-L1000 PolarHBondContact O-N 3.21Å; F972-G1001 PolarHBondContact O-N 2.97Å; F972-G1001 VanDerWaalsContact O-N 3.15Å; F972-F1003 HydrophobicContact CD1-CB 3.85Å; F972-F1003 HydrophobicContact CD1-CD2 4.21Å; F972-F1003 HydrophobicContact CE1-CB 3.89Å; F972-F1003 AromaticContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CG 4.45Å
973N97.8Very high94.4Very high2 Ų224.5 Ų24.51%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-102154176.5-51.3-70.8000112.3A968 E969 A971 F998 H999 F1076 H1077A968-N973 WeakPolarHBondContact CA-O 3.49Å; E969-N973 HydrophobicContact CG-CB 4.27Å; E969-N973 PolarHBondContact N-O 3.05Å; E969-N973 WeakPolarHBondContact OE1-CA 3.34Å; E969-N973 WeakPolarHBondContact OE1-CB 3.4Å; E969-N973 VanDerWaalsContact OE1-CG 3.27Å; E969-N973 PolarHBondContact OE1-N 3.46Å; E969-N973 PolarHBondContact OE1-ND2 3.3Å; A971-N973 VanDerWaalsContact C-N 3.31Å; A971-N973 PolarHBondContact O-N 3.08Å; A971-N973 PolarHBondContact O-ND2 2.91Å; N973-F998 CarbonylContact C-O 3.58Å; N973-F998 WeakPolarHBondContact CA-O 3.38Å; N973-H999 WeakPolarHBondContact OD1-CA 3.35Å; N973-H999 WeakPolarHBondContact OD1-CB 3.3Å; N973-H999 PolarHBondContact OD1-ND1 2.87Å; N973-F1076 HydrophobicContact CB-CD2 3.51Å; N973-F1076 HydrophobicContact CB-CE2 3.44Å; N973-F1076 VanDerWaalsContact CB-CE2 3.44Å; N973-F1076 HydrophobicContact CB-CG 4.49Å; N973-F1076 HydrophobicContact CB-CZ 4.38Å; N973-H1077 PolarHBondContact ND2-O 2.67Å; N973-H1077 PolarHBondContact OD1-N 3.39Å
974L98.1Very high94Very high1 Ų127.5 Ų27.51%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-107.1143.4161.4-63.7178.3000108.9V6 G967 A968 F998 L1000 V1004 F1007 V1040 F1088V6-L974 HydrophobicContact CG2-CD1 4.11Å; G967-L974 WeakPolarHBondContact O-CA 3.34Å; A968-L974 HydrophobicContact CB-CD2 3.9Å; L974-F998 PolarHBondContact N-O 2.83Å; L974-F998 PolarHBondContact O-N 3.12Å; L974-L1000 HydrophobicContact CD1-CB 4.48Å; L974-L1000 HydrophobicContact CD1-CD2 4.23Å; L974-L1000 HydrophobicContact CG-CB 4.32Å; L974-L1000 HydrophobicContact CG-CD2 4.4Å; L974-V1004 HydrophobicContact CD2-CG2 4.26Å; L974-F1007 HydrophobicContact CD2-CE1 4.39Å; L974-F1007 HydrophobicContact CD2-CZ 3.91Å; L974-V1040 HydrophobicContact CD1-CG2 4.29Å; L974-F1088 HydrophobicContact CB-CZ 4.15Å
975F97.7Very high93.7Very high0 Ų029.4 Ų29.40%018%0.18CC..EExtended strand (participates in β ladder)trans-143.4155.9172.867.3-83.3000111.5S929 V930 N952 M954 G967 E969 G996 L997 F1076S929-F975 WeakPolarHBondContact OG-CZ 3.34Å; V930-F975 HydrophobicContact CG1-CZ 4.47Å; V930-F975 HydrophobicContact CG2-CE2 4.46Å; N952-F975 HydrophobicContact CB-CE1 4.39Å; N952-F975 HydrophobicContact CB-CZ 4.43Å; M954-F975 HydrophobicContact CE-CE1 3.69Å; M954-F975 HydrophobicContact CE-CZ 3.53Å; M954-F975 HydrophobicContact SD-CE1 3.83Å; M954-F975 HydrophobicContact SD-CZ 3.63Å; G967-F975 PolarHBondContact N-O 2.9Å; G967-F975 WeakPolarHBondContact O-CD1 3.11Å; G967-F975 PolarHBondContact O-N 2.71Å; E969-F975 HydrophobicContact CB-CE1 4.47Å; E969-F975 HydrophobicContact CG-CE1 4.4Å; F975-G996 CarbonylContact C-O 3.58Å; F975-G996 WeakPolarHBondContact CA-O 3.14Å; F975-G996 WeakPolarHBondContact CB-O 3.43Å; F975-L997 HydrophobicContact CB-CD2 3.99Å; F975-F1076 HydrophobicContact CB-CE2 4.3Å
976V97.7Very high93.3Very high0 Ų034.1 Ų34.10%021%0.206CC..EExtended strand (participates in β ladder)trans-121.9124.6175.2-179.40000109.5L960 N964 F965 L966 V995 G996 F1088L960-V976 HydrophobicContact CD1-CG1 4.29Å; L960-V976 HydrophobicContact CD1-CG2 4.05Å; N964-V976 HydrophobicContact CB-CG1 4.01Å; F965-V976 CarbonylContact O-C 3.52Å; F965-V976 VanDerWaalsContact O-CA 3.31Å; F965-V976 WeakPolarHBondContact O-CA 3.28Å; L966-V976 HydrophobicContact CD1-CG2 4.05Å; V976-V995 HydrophobicContact CB-CG2 4.23Å; V976-V995 HydrophobicContact CG1-CG2 3.9Å; V976-V995 WeakPolarHBondContact O-CG2 3.33Å; V976-V995 PolarHBondContact O-N 2.94Å; V976-G996 PolarHBondContact N-O 2.61Å; V976-G996 PolarHBondContact O-N 3.21Å; V976-F1088 HydrophobicContact CG2-CE1 4.47Å; V976-F1088 HydrophobicContact CG2-CE2 3.93Å; V976-F1088 HydrophobicContact CG2-CZ 3.56Å
977C97.1Very high92.8Very high0 Ų041 Ų410%024%0.238CC..EExtended strand (participates in β ladder)trans-98.3135171.3-79.80000109.9V930 N964 F965 L992 Q993V930-C977 HydrophobicContact CG2-CB 4.19Å; N964-C977 WeakPolarHBondContact CA-O 3.4Å; F965-C977 HydrophobicContact CB-CB 4.49Å; F965-C977 WeakPolarHBondContact CD2-O 3.27Å; F965-C977 PolarHBondContact N-O 3.08Å; F965-C977 PolarHBondContact O-N 3.25Å; C977-L992 HydrophobicContact CB-CB 4.02Å; C977-L992 HydrophobicContact CB-CD1 4.37Å; C977-Q993 CarbonylContact C-O 3.54Å; C977-Q993 WeakPolarHBondContact CA-O 3.46Å
978Q95.5Very high92.3Very high40 Ų4045.2 Ų45.219%0.18726%0.258CS..EExtended strand (participates in β ladder)trans-114.4133177.5-179.3163.369.700110.9D963 N964 Q993 V995D963-Q978 CarbonylContact O-C 3.49Å; D963-Q978 VanDerWaalsContact O-CA 3.23Å; D963-Q978 WeakPolarHBondContact O-CA 3.39Å; N964-Q978 PolarHBondContact OD1-NE2 3.36Å; Q978-Q993 PolarHBondContact N-O 2.79Å; Q978-Q993 PolarHBondContact O-N 3.43Å; Q978-V995 HydrophobicContact CB-CB 4.34Å; Q978-V995 HydrophobicContact CB-CG1 3.74Å; Q978-V995 HydrophobicContact CB-CG2 3.63Å
979K93.8Very high91.8Very high25 Ų2550.2 Ų50.211%0.10928%0.276CS..  trans-81125.3169.8169.2-171.556.1123.80109.5L932 I945 D962 D963 F965 S981 L992L932-K979 HydrophobicContact CD2-CD 3.85Å; I945-K979 HydrophobicContact CG2-CD 4.46Å; D962-K979 WeakPolarHBondContact O-CE 3.31Å; D963-K979 PolarHBondContact O-N 2.82Å; D963-K979 WeakPolarHBondContact OD1-CE 3.46Å; D963-K979 IonicContact OD1-NZ 3.66Å; D963-K979 PolarHBondContact OD1-NZ 2.76Å; F965-K979 HydrophobicContact CE2-CB 3.94Å; F965-K979 HydrophobicContact CZ-CB 4.5Å; K979-S981 PolarHBondContact NZ-OG 3.47Å; K979-S981 PolarHBondContact O-N 3.13Å; K979-L992 HydrophobicContact CB-CD2 3.93Å
980D89.3Confident91.7Very high48 Ų4855 Ų5526%0.25730%0.299SS..  trans-9487.9174.6-169.6-9000111.1A982 A983 Q993D980-A982 PolarHBondContact O-N 3.09Å; D980-A982 PolarHBondContact OD1-N 3.08Å; D980-A983 HydrophobicContact CB-CB 4.16Å; D980-A983 PolarHBondContact OD1-N 3.49Å; D980-Q993 PolarHBondContact OD2-NE2 2.98Å
981S83.7Confident91.7Very high73 Ų7354.7 Ų54.751%0.5130%0.295SS..THydrogen-bonded Turntrans-69.9-15.8177.5-54.50000113K979K979-S981 PolarHBondContact NZ-OG 3.47Å; K979-S981 PolarHBondContact O-N 3.13Å
982A84.5Confident91.6Very high89 Ų8953.7 Ų53.774%0.73629%0.286SS*.THydrogen-bonded Turntrans-97-4.9-176.800000113.5D980D980-A982 PolarHBondContact O-N 3.09Å; D980-A982 PolarHBondContact OD1-N 3.08Å
983A83.9Confident91.5Very high5 Ų554.2 Ų54.24%0.04129%0.29CS..  trans-52.4147.1177.900000113.1D980 E988 R989D980-A983 HydrophobicContact CB-CB 4.16Å; D980-A983 PolarHBondContact OD1-N 3.49Å; A983-E988 HydrophobicContact CB-CB 3.53Å; A983-R989 HydrophobicContact CB-CG 3.63Å; A983-R989 VanDerWaalsContact O-CZ 3.29Å; A983-R989 PolarHBondContact O-NE 3.13Å; A983-R989 PolarHBondContact O-NH2 2.64Å
984T84.7Confident91.3Very high121 Ų12156.6 Ų56.674%0.74230%0.3SS*.SBendtrans-90.1-25.3-170.559.80000113.4E988T984-E988 PolarHBondContact N-OE2 2.73Å; T984-E988 PolarHBondContact OG1-OE2 3.03Å
985T88.4Confident91.2Very high52 Ų5257.3 Ų57.332%0.31931%0.305SS..SBendtrans-111.1153177.163.80000110.4E987 E988 R989T985-E987 VanDerWaalsContact C-N 3.27Å; T985-E987 WeakPolarHBondContact CB-OE2 3.34Å; T985-E987 PolarHBondContact O-N 2.99Å; T985-E988 PolarHBondContact N-OE2 3.3Å; T985-E988 PolarHBondContact O-N 2.94Å; T985-E988 WeakPolarHBondContact OG1-CB 3.28Å; T985-E988 WeakPolarHBondContact OG1-CG 3.44Å; T985-E988 PolarHBondContact OG1-N 3.47Å; T985-E988 PolarHBondContact OG1-OE2 2.62Å; T985-E988 VanDerWaalsContact OG1-OE2 3.1Å; T985-R989 WeakPolarHBondContact O-CG 3.34Å; T985-R989 PolarHBondContact O-N 3.4Å
986D87.4Confident91.1Very high102 Ų10257.3 Ų57.355%0.54531%0.305SS..Hα-helixtrans-69.7-30.1177.6-68.4-29.4000110.9R989 Q990D986-R989 PolarHBondContact O-N 3.17Å; D986-R989 IonicContact OD1-NH1 3.34Å; D986-R989 PolarHBondContact OD1-NH1 2.96Å; D986-Q990 WeakPolarHBondContact O-CB 3Å; D986-Q990 WeakPolarHBondContact O-CG 3.22Å; D986-Q990 PolarHBondContact O-N 2.86Å
987E88.1Confident91.1Very high143 Ų14357.8 Ų57.867%0.66831%0.308SS*.Hα-helixtrans-62.2-42.4174-64.484.9177.100112.5T985 Q990 H991T985-E987 VanDerWaalsContact C-N 3.27Å; T985-E987 WeakPolarHBondContact CB-OE2 3.34Å; T985-E987 PolarHBondContact O-N 2.99Å; E987-Q990 PolarHBondContact O-N 3.14Å; E987-H991 PolarHBondContact O-N 3.44Å
988E87.3Confident91.1Very high90 Ų9058 Ų5842%0.42131%0.308SS..Hα-helixtrans-65.8-39.7175.4-76.8166.216900111.7A983 T984 T985 Q990 H991A983-E988 HydrophobicContact CB-CB 3.53Å; T984-E988 PolarHBondContact N-OE2 2.73Å; T984-E988 PolarHBondContact OG1-OE2 3.03Å; T985-E988 PolarHBondContact N-OE2 3.3Å; T985-E988 PolarHBondContact O-N 2.94Å; T985-E988 WeakPolarHBondContact OG1-CB 3.28Å; T985-E988 WeakPolarHBondContact OG1-CG 3.44Å; T985-E988 PolarHBondContact OG1-N 3.47Å; T985-E988 PolarHBondContact OG1-OE2 2.62Å; T985-E988 VanDerWaalsContact OG1-OE2 3.1Å; E988-Q990 VanDerWaalsContact C-N 3.29Å; E988-Q990 PolarHBondContact O-N 3.15Å; E988-H991 PolarHBondContact O-N 2.89Å
989R89.2Confident91.2Very high105 Ų10556.5 Ų56.540%0.39630%0.301SS..Hα-helixtrans-65.2-33.6176.7-70.6176.4-174.9155.91.9112.7A946 A983 T985 D986 H991A946-R989 WeakPolarHBondContact CB-O 3.27Å; A983-R989 HydrophobicContact CB-CG 3.63Å; A983-R989 VanDerWaalsContact O-CZ 3.29Å; A983-R989 PolarHBondContact O-NE 3.13Å; A983-R989 PolarHBondContact O-NH2 2.64Å; T985-R989 WeakPolarHBondContact O-CG 3.34Å; T985-R989 PolarHBondContact O-N 3.4Å; D986-R989 PolarHBondContact O-N 3.17Å; D986-R989 IonicContact OD1-NH1 3.34Å; D986-R989 PolarHBondContact OD1-NH1 2.96Å; R989-H991 PolarHBondContact O-N 2.94Å
990Q92.8Very high91.4Very high104 Ų10455.7 Ų55.749%0.48630%0.298SS..THydrogen-bonded Turntrans-76.1-7.8177.8-74178-2.100113.6I945 A946 R947 D986 E987 E988I945-Q990 WeakPolarHBondContact O-CA 3.11Å; A946-Q990 CarbonylContact C-O 3.58Å; A946-Q990 VanDerWaalsContact CA-O 3.23Å; A946-Q990 WeakPolarHBondContact CA-O 3.41Å; R947-Q990 PolarHBondContact N-O 3.3Å; D986-Q990 WeakPolarHBondContact O-CB 3Å; D986-Q990 WeakPolarHBondContact O-CG 3.22Å; D986-Q990 PolarHBondContact O-N 2.86Å; E987-Q990 PolarHBondContact O-N 3.14Å; E988-Q990 VanDerWaalsContact C-N 3.29Å; E988-Q990 PolarHBondContact O-N 3.15Å
991H94.7Very high91.7Very high67 Ų6753.5 Ų53.531%0.3129%0.287SS..BIsolated β-bridgetrans-102117.6178.4-175.736.7000111.4F949 E987 E988 R989 Q993F949-H991 AromaticContact CD2-ND1 3.4Å; F949-H991 WeakPolarHBondContact CD2-ND1 3.42Å; F949-H991 HydrophobicContact CE2-CB 4.23Å; F949-H991 AromaticContact CE2-ND1 3.86Å; E987-H991 PolarHBondContact O-N 3.44Å; E988-H991 PolarHBondContact O-N 2.89Å; R989-H991 PolarHBondContact O-N 2.94Å; H991-Q993 PolarHBondContact O-N 3.37Å
992L95.4Very high92.4Very high0 Ų050.2 Ų50.20%026%0.264CS..PPolyproline II helixtrans-74.7118.8167.1-69.4177.4000109.6V930 A946 R947 D948 F965 C977 K979V930-L992 HydrophobicContact CG2-CD1 3.88Å; A946-L992 HydrophobicContact CB-CD2 3.67Å; A946-L992 HydrophobicContact CB-CG 3.74Å; R947-L992 PolarHBondContact O-N 3.38Å; D948-L992 HydrophobicContact CB-CB 4.43Å; F965-L992 HydrophobicContact CD2-CD1 4.43Å; F965-L992 HydrophobicContact CD2-CD2 4.03Å; F965-L992 HydrophobicContact CE2-CD2 3.84Å; C977-L992 HydrophobicContact CB-CB 4.02Å; C977-L992 HydrophobicContact CB-CD1 4.37Å; K979-L992 HydrophobicContact CB-CD2 3.93Å
993Q93.9Very high93Very high72 Ų7248.8 Ų48.834%0.33624%0.241SC..EExtended strand (participates in β ladder)trans-82.9128.3-177.8-63.3178.49.600110.6C977 Q978 D980 H991 V995C977-Q993 CarbonylContact C-O 3.54Å; C977-Q993 WeakPolarHBondContact CA-O 3.46Å; Q978-Q993 PolarHBondContact N-O 2.79Å; Q978-Q993 PolarHBondContact O-N 3.43Å; D980-Q993 PolarHBondContact OD2-NE2 2.98Å; H991-Q993 PolarHBondContact O-N 3.37Å; Q993-V995 HydrophobicContact CB-CG1 4.33Å; Q993-V995 PolarHBondContact O-N 3.27Å
994E93.7Very high93.7Very high51 Ų5148.7 Ų48.724%0.23824%0.24CC..EExtended strand (participates in β ladder)trans-69.3110170.2-68.1179.5132.600109.5N950 L997 K1081N950-E994 PolarHBondContact ND2-OE1 3.44Å; N950-E994 VanDerWaalsContact ND2-OE1 3.13Å; N950-E994 PolarHBondContact ND2-OE2 3.22Å; E994-L997 HydrophobicContact CB-CD2 4.42Å; E994-K1081 IonicContact OE1-NZ 3.56Å; E994-K1081 IonicContact OE2-NZ 3.04Å; E994-K1081 PolarHBondContact OE2-NZ 3.33Å
995V95.4Very high94.2Very high17 Ų1744.5 Ų44.510%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-114-9.8-177.8-65.90000113.8V976 Q978 Q993V976-V995 HydrophobicContact CB-CG2 4.23Å; V976-V995 HydrophobicContact CG1-CG2 3.9Å; V976-V995 WeakPolarHBondContact O-CG2 3.33Å; V976-V995 PolarHBondContact O-N 2.94Å; Q978-V995 HydrophobicContact CB-CB 4.34Å; Q978-V995 HydrophobicContact CB-CG1 3.74Å; Q978-V995 HydrophobicContact CB-CG2 3.63Å; Q993-V995 HydrophobicContact CB-CG1 4.33Å; Q993-V995 PolarHBondContact O-N 3.27Å
996G96.4Very high94.7Very high0 Ų042.5 Ų42.50%020%0.2CC..EExtended strand (participates in β ladder)trans-140.9134.7173.400000110.7F975 V976 T1086F975-G996 CarbonylContact C-O 3.58Å; F975-G996 WeakPolarHBondContact CA-O 3.14Å; F975-G996 WeakPolarHBondContact CB-O 3.43Å; V976-G996 PolarHBondContact N-O 2.61Å; V976-G996 PolarHBondContact O-N 3.21Å; G996-T1086 CarbonylContact C-O 3.55Å; G996-T1086 VanDerWaalsContact CA-O 3.24Å; G996-T1086 WeakPolarHBondContact CA-O 3.11Å
997L97.4Very high95.2Very high10 Ų1038 Ų385%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-140125.9-179.4-63.9177.9000108.5F975 E994 F1076 E1083 A1085 T1086F975-L997 HydrophobicContact CB-CD2 3.99Å; E994-L997 HydrophobicContact CB-CD2 4.42Å; L997-F1076 HydrophobicContact CB-CB 3.84Å; L997-F1076 HydrophobicContact CB-CD2 4.08Å; L997-F1076 HydrophobicContact CB-CG 4.11Å; L997-F1076 HydrophobicContact CD2-CD1 4.48Å; L997-F1076 HydrophobicContact CD2-CD2 3.8Å; L997-F1076 HydrophobicContact CD2-CE2 3.97Å; L997-F1076 HydrophobicContact CD2-CG 4.08Å; L997-F1076 HydrophobicContact CD2-CZ 4.39Å; L997-F1076 HydrophobicContact CG-CD2 4.49Å; L997-F1076 HydrophobicContact CG-CG 4.5Å; L997-E1083 HydrophobicContact CD1-CB 3.98Å; L997-A1085 CarbonylContact O-C 3.57Å; L997-A1085 WeakPolarHBondContact O-CA 3.02Å; L997-T1086 PolarHBondContact N-O 3.17Å; L997-T1086 PolarHBondContact O-N 3.44Å
998F97.6Very high95.5Very high3 Ų332.2 Ų32.21%0.01315%0.151CC..EExtended strand (participates in β ladder)trans-154126.8-176.7-174.4-98.3000112.3V6 N973 L974 L1000 R1074 A1085 F1088 D1090V6-F998 HydrophobicContact CG1-CD1 4.08Å; V6-F998 HydrophobicContact CG1-CE1 3.61Å; V6-F998 HydrophobicContact CG1-CE2 4.13Å; V6-F998 HydrophobicContact CG1-CZ 3.62Å; N973-F998 CarbonylContact C-O 3.58Å; N973-F998 WeakPolarHBondContact CA-O 3.38Å; L974-F998 PolarHBondContact N-O 2.83Å; L974-F998 PolarHBondContact O-N 3.12Å; F998-L1000 HydrophobicContact CD1-CB 4.4Å; F998-L1000 HydrophobicContact CE1-CB 4.43Å; F998-L1000 HydrophobicContact CE1-CD1 4.01Å; F998-L1000 PolarHBondContact O-N 2.77Å; F998-R1074 HydrophobicContact CD2-CB 4.3Å; F998-R1074 HydrophobicContact CE2-CB 4.06Å; F998-R1074 HydrophobicContact CE2-CG 3.81Å; F998-R1074 HydrophobicContact CZ-CG 4.15Å; F998-R1074 VanDerWaalsContact CZ-CZ 3.5Å; F998-R1074 VanDerWaalsContact CZ-NE 3.32Å; F998-A1085 HydrophobicContact CD2-CB 4.41Å; F998-F1088 HydrophobicContact CB-CB 3.98Å; F998-F1088 HydrophobicContact CB-CD1 4.5Å; F998-F1088 HydrophobicContact CB-CD2 3.49Å; F998-F1088 VanDerWaalsContact CB-CD2 3.49Å; F998-F1088 HydrophobicContact CB-CE2 4.01Å; F998-F1088 HydrophobicContact CB-CG 3.76Å; F998-F1088 HydrophobicContact CD2-CB 3.71Å; F998-F1088 HydrophobicContact CD2-CG 4.37Å; F998-F1088 HydrophobicContact CE2-CB 4.39Å; F998-F1088 HydrophobicContact CG-CB 4.01Å; F998-F1088 HydrophobicContact CG-CD2 4.38Å; F998-F1088 HydrophobicContact CG-CG 4.16Å; F998-D1090 HydrophobicContact CE2-CB 4.2Å; F998-D1090 HydrophobicContact CZ-CB 4.27Å
999H98Very high95.7Very high9 Ų932.4 Ų32.44%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-85.5109.8171.1-171.874.7000110.8K83 A971 N973 W1073 R1074 S1075K83-H999 WeakPolarHBondContact CE-NE2 3.32Å; K83-H999 PolarHBondContact NZ-CD2 2.9Å; K83-H999 VanDerWaalsContact NZ-CD2 3.34Å; K83-H999 PolarHBondContact NZ-NE2 2.86Å; A971-H999 PolarHBondContact O-CE1 2.91Å; A971-H999 VanDerWaalsContact O-CE1 3.26Å; A971-H999 PolarHBondContact O-ND1 2.9Å; N973-H999 WeakPolarHBondContact OD1-CA 3.35Å; N973-H999 WeakPolarHBondContact OD1-CB 3.3Å; N973-H999 PolarHBondContact OD1-ND1 2.87Å; H999-W1073 WeakPolarHBondContact CB-O 3.28Å; H999-W1073 AromaticContact CD2-CE3 3.92Å; H999-W1073 AromaticContact CD2-CZ3 3.68Å; H999-W1073 PolarHBondContact CD2-O 3.13Å; H999-W1073 AromaticContact NE2-CZ3 3.7Å; H999-R1074 PolarHBondContact N-O 2.95Å; H999-R1074 WeakPolarHBondContact O-CD 3.49Å; H999-R1074 PolarHBondContact O-NH1 2.8Å; H999-R1074 VanDerWaalsContact O-NH1 3.14Å; H999-S1075 WeakPolarHBondContact CB-O 3.33Å
1000L97.4Very high95.6Very high8 Ų828.4 Ų28.44%0.04214%0.143CC..  trans-77.7-38179.5-175.266.3000111.2V6 F972 L974 F998 E1002 V1004 F1030 M1036 R1074V6-L1000 HydrophobicContact CG2-CD1 4.26Å; F972-L1000 PolarHBondContact O-N 3.21Å; L974-L1000 HydrophobicContact CD1-CB 4.48Å; L974-L1000 HydrophobicContact CD1-CD2 4.23Å; L974-L1000 HydrophobicContact CG-CB 4.32Å; L974-L1000 HydrophobicContact CG-CD2 4.4Å; F998-L1000 HydrophobicContact CD1-CB 4.4Å; F998-L1000 HydrophobicContact CE1-CB 4.43Å; F998-L1000 HydrophobicContact CE1-CD1 4.01Å; F998-L1000 PolarHBondContact O-N 2.77Å; L1000-E1002 VanDerWaalsContact C-N 3.33Å; L1000-E1002 HydrophobicContact CD2-CB 3.82Å; L1000-E1002 HydrophobicContact CG-CB 3.97Å; L1000-E1002 HydrophobicContact CG-CG 4.49Å; L1000-V1004 HydrophobicContact CD2-CG2 3.5Å; L1000-F1030 HydrophobicContact CD1-CZ 4.23Å; L1000-F1030 HydrophobicContact CD2-CD2 4.4Å; L1000-F1030 HydrophobicContact CD2-CE2 3.64Å; L1000-F1030 HydrophobicContact CD2-CZ 3.97Å; L1000-M1036 HydrophobicContact CD1-CE 4.45Å; L1000-R1074 PolarHBondContact O-NH1 2.66Å
1001G96.4Very high95.2Very high2 Ų224.9 Ų24.92%0.02113%0.13CC..SBendtrans858-174.500000114.4N36 F972 W1073N36-G1001 PolarHBondContact ND2-O 3.34Å; F972-G1001 PolarHBondContact O-N 2.97Å; F972-G1001 VanDerWaalsContact O-N 3.15Å; G1001-W1073 VanDerWaalsContact CA-CH2 3.48Å
1002E97Very high94.3Very high5 Ų521.8 Ų21.82%0.02312%0.116CC..SBendtrans-130.5146.1-177.3-72.2-78.916300109.8P12 N36 L1000 V1004 T1032 N1034 M1036P12-E1002 WeakPolarHBondContact CG-OE1 3.48Å; N36-E1002 PolarHBondContact ND2-OE1 2.89Å; L1000-E1002 VanDerWaalsContact C-N 3.33Å; L1000-E1002 HydrophobicContact CD2-CB 3.82Å; L1000-E1002 HydrophobicContact CG-CB 3.97Å; L1000-E1002 HydrophobicContact CG-CG 4.49Å; E1002-V1004 PolarHBondContact O-N 2.77Å; E1002-T1032 HydrophobicContact CB-CG2 3.89Å; E1002-T1032 PolarHBondContact OE2-OG1 2.99Å; E1002-N1034 WeakPolarHBondContact OE2-CB 3.42Å; E1002-N1034 PolarHBondContact OE2-ND2 2.81Å; E1002-M1036 HydrophobicContact CB-SD 4.14Å; E1002-M1036 HydrophobicContact CG-SD 3.59Å; E1002-M1036 VanDerWaalsContact CG-SD 3.59Å
1003F97.6Very high93.2Very high59 Ų5923.1 Ų23.126%0.25912%0.124SC..  trans-90.299.8179.8-166.5-78000108.7N970 F972 N1005 T1032 V1033N970-F1003 HydrophobicContact CB-CE2 4.04Å; F972-F1003 HydrophobicContact CD1-CB 3.85Å; F972-F1003 HydrophobicContact CD1-CD2 4.21Å; F972-F1003 HydrophobicContact CE1-CB 3.89Å; F972-F1003 AromaticContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CG 4.45Å; F1003-N1005 HydrophobicContact CD1-CB 4.25Å; F1003-N1005 HydrophobicContact CE1-CB 4.19Å; F1003-T1032 VanDerWaalsContact O-CA 3.27Å; F1003-T1032 WeakPolarHBondContact O-CA 3.42Å; F1003-T1032 WeakPolarHBondContact O-CB 3.3Å; F1003-V1033 HydrophobicContact CB-CG1 4.1Å; F1003-V1033 HydrophobicContact CB-CG2 3.65Å; F1003-V1033 HydrophobicContact CD1-CG1 3.64Å; F1003-V1033 HydrophobicContact CE1-CG1 4.44Å; F1003-V1033 HydrophobicContact CG-CG1 4.18Å; F1003-V1033 HydrophobicContact CG-CG2 4.48Å; F1003-V1033 PolarHBondContact O-N 3.03Å; F1003-V1033 VanDerWaalsContact O-N 3.15Å
1004V98.4Very high91.7Very high3 Ų323.4 Ų23.42%0.01813%0.127CC..EExtended strand (participates in β ladder)trans-81.8125.8176.1176.70000109.1S955 A956 A968 L974 L1000 E1002 F1007 F1030 T1032S955-V1004 WeakPolarHBondContact CB-O 3.49Å; S955-V1004 PolarHBondContact OG-O 2.81Å; A956-V1004 HydrophobicContact CB-CG1 4.32Å; A968-V1004 HydrophobicContact CB-CB 3.73Å; A968-V1004 HydrophobicContact CB-CG1 4.01Å; L974-V1004 HydrophobicContact CD2-CG2 4.26Å; L1000-V1004 HydrophobicContact CD2-CG2 3.5Å; E1002-V1004 PolarHBondContact O-N 2.77Å; V1004-F1007 HydrophobicContact CG1-CD1 4.29Å; V1004-F1007 HydrophobicContact CG1-CE1 3.74Å; V1004-F1007 HydrophobicContact CG1-CE2 4.23Å; V1004-F1007 HydrophobicContact CG1-CZ 3.71Å; V1004-F1030 HydrophobicContact CG1-CB 3.76Å; V1004-F1030 HydrophobicContact CG1-CD2 4.45Å; V1004-F1030 HydrophobicContact CG1-CG 4.37Å; V1004-F1030 HydrophobicContact CG2-CB 4.5Å; V1004-F1030 HydrophobicContact CG2-CD2 3.68Å; V1004-F1030 HydrophobicContact CG2-CE2 4.14Å; V1004-F1030 HydrophobicContact CG2-CG 4.25Å; V1004-T1032 HydrophobicContact CG2-CG2 4.1Å
1005N96Very high89.8Confident32 Ų3228.8 Ų28.817%0.17115%0.151CC..EExtended strand (participates in β ladder)trans-126-4.4-178.560.8-23.9000113.2I359 S955 F1003 G1031I359-N1005 VanDerWaalsContact O-CG 3.27Å; I359-N1005 PolarHBondContact O-ND2 2.87Å; I359-N1005 PolarHBondContact O-OD1 3.08Å; S955-N1005 WeakPolarHBondContact O-CA 3.48Å; F1003-N1005 HydrophobicContact CD1-CB 4.25Å; F1003-N1005 HydrophobicContact CE1-CB 4.19Å; N1005-G1031 PolarHBondContact N-O 2.87Å; N1005-G1031 PolarHBondContact OD1-O 3Å; N1005-G1031 VanDerWaalsContact OD1-O 3.13Å
1006V98Very high87.6Confident10 Ų1031.2 Ų31.26%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-147.8136.3175.4620000111.5I359 M362 F1030 G1031I359-V1006 HydrophobicContact CG2-CG1 3.97Å; M362-V1006 HydrophobicContact CE-CG1 4.06Å; M362-V1006 HydrophobicContact CE-CG2 4.36Å; M362-V1006 HydrophobicContact CG-CG1 3.96Å; M362-V1006 HydrophobicContact CG-CG2 3.87Å; M362-V1006 HydrophobicContact SD-CG1 3.9Å; V1006-F1030 VanDerWaalsContact O-CA 3.26Å; V1006-F1030 WeakPolarHBondContact O-CA 3.16Å; V1006-G1031 PolarHBondContact O-N 2.83Å; V1006-G1031 VanDerWaalsContact O-N 3.09Å
1007F98Very high84.8Confident7 Ų740.2 Ų40.23%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-117.6141.4168.6-69.1-63.9000109.9K915 A956 E958 L966 A968 L974 V1004 V1028 L1029 F1030K915-F1007 PolarHBondContact NZ-O 3.41Å; A956-F1007 HydrophobicContact CB-CD2 3.41Å; A956-F1007 VanDerWaalsContact CB-CD2 3.41Å; A956-F1007 HydrophobicContact CB-CE2 3.45Å; A956-F1007 VanDerWaalsContact CB-CE2 3.45Å; A956-F1007 HydrophobicContact CB-CG 4.36Å; A956-F1007 HydrophobicContact CB-CZ 4.42Å; E958-F1007 HydrophobicContact CB-CB 3.69Å; E958-F1007 HydrophobicContact CB-CD2 3.95Å; E958-F1007 HydrophobicContact CB-CG 3.89Å; E958-F1007 HydrophobicContact CG-CB 4.11Å; L966-F1007 HydrophobicContact CD2-CD1 3.95Å; L966-F1007 HydrophobicContact CD2-CE1 3.45Å; L966-F1007 VanDerWaalsContact CD2-CE1 3.45Å; L966-F1007 HydrophobicContact CD2-CE2 4.3Å; L966-F1007 HydrophobicContact CD2-CZ 3.66Å; L966-F1007 HydrophobicContact CG-CE1 4.17Å; L966-F1007 HydrophobicContact CG-CE2 4.25Å; L966-F1007 HydrophobicContact CG-CZ 3.83Å; A968-F1007 HydrophobicContact CB-CE2 4Å; A968-F1007 HydrophobicContact CB-CZ 3.88Å; L974-F1007 HydrophobicContact CD2-CE1 4.39Å; L974-F1007 HydrophobicContact CD2-CZ 3.91Å; V1004-F1007 HydrophobicContact CG1-CD1 4.29Å; V1004-F1007 HydrophobicContact CG1-CE1 3.74Å; V1004-F1007 HydrophobicContact CG1-CE2 4.23Å; V1004-F1007 HydrophobicContact CG1-CZ 3.71Å; F1007-V1028 HydrophobicContact CB-CG1 3.98Å; F1007-V1028 HydrophobicContact CD1-CG1 3.74Å; F1007-V1028 HydrophobicContact CG-CG1 4.18Å; F1007-L1029 CarbonylContact C-O 3.55Å; F1007-L1029 WeakPolarHBondContact CA-O 3.18Å; F1007-F1030 HydrophobicContact CD1-CB 3.54Å; F1007-F1030 HydrophobicContact CE1-CB 3.6Å; F1007-F1030 HydrophobicContact CE1-CD1 4.32Å; F1007-F1030 HydrophobicContact CE1-CG 4.24Å
1008C94.8Very high82.1Confident23 Ų2343 Ų4316%0.15524%0.242CC..EExtended strand (participates in β ladder)trans-143.4132.1175.5-165.80000110.4M362 L1029M362-C1008 HydrophobicContact CE-CB 3.66Å; M362-C1008 HydrophobicContact CG-CB 4.09Å; C1008-L1029 PolarHBondContact N-O 3.37Å; C1008-L1029 PolarHBondContact O-N 3.42Å
1009H92.6Very high79.7Confident93 Ų9347.5 Ų47.543%0.43126%0.264SS..EExtended strand (participates in β ladder)trans-68.7136.2169.2-79.8-86.9000110.4E958 I959 S1027E958-H1009 IonicContact OE1-CD2 3.72Å; E958-H1009 IonicContact OE1-NE2 2.69Å; E958-H1009 IonicContact OE2-CD2 2.81Å; I959-H1009 PolarHBondContact O-CE1 2.86Å; I959-H1009 VanDerWaalsContact O-CE1 3.28Å; I959-H1009 PolarHBondContact O-NE2 3.36Å; H1009-S1027 WeakPolarHBondContact CA-O 3.21Å
1010G86.8Confident77Confident21 Ų2154.1 Ų54.122%0.21631%0.305CS..  trans155176.1175.600000113.4S1027G1010-S1027 PolarHBondContact N-O 2.8Å; G1010-S1027 VanDerWaalsContact N-O 3.08Å; G1010-S1027 VanDerWaalsContact O-CB 3.24Å; G1010-S1027 WeakPolarHBondContact O-CB 3.18Å; G1010-S1027 PolarHBondContact O-OG 2.98Å
1011S83Confident74.9Confident31 Ų3156.2 Ų56.222%0.21732%0.32CS..  trans-135.3138.1179.2177.60000109.7G373 V1013G373-S1011 WeakPolarHBondContact CA-O 3.32Å; S1011-V1013 VanDerWaalsContact C-N 3.34Å; S1011-V1013 PolarHBondContact OG-N 2.93Å; S1011-V1013 VanDerWaalsContact OG-N 3.14Å; S1011-V1013 PolarHBondContact OG-O 3.41Å
1012L76.6Confident73.2Confident2 Ų259.6 Ų59.61%0.0134%0.34CS..SBendtrans-82.8-16.3171.2-69.4175000112.4A9 L375 N392 L710 L1029A9-L1012 HydrophobicContact CB-CD1 4.4Å; L375-L1012 HydrophobicContact CB-CD2 3.63Å; N392-L1012 WeakPolarHBondContact CB-O 3.21Å; L710-L1012 HydrophobicContact CD2-CD1 4.28Å; L1012-L1029 HydrophobicContact CG-CD1 4.3Å
1013V73.1Confident71.8Confident28 Ų2860.2 Ų60.217%0.1735%0.345CS..SBendtrans-107.3140.5-176.5-161.90000110.5S1011 Q1015 R1138S1011-V1013 VanDerWaalsContact C-N 3.34Å; S1011-V1013 PolarHBondContact OG-N 2.93Å; S1011-V1013 VanDerWaalsContact OG-N 3.14Å; S1011-V1013 PolarHBondContact OG-O 3.41Å; V1013-Q1015 PolarHBondContact O-N 2.87Å; V1013-R1138 WeakPolarHBondContact CB-O 3.49Å; V1013-R1138 VanDerWaalsContact CG1-O 3.3Å; V1013-R1138 WeakPolarHBondContact CG1-O 3.49Å; V1013-R1138 WeakPolarHBondContact CG2-O 3.23Å
1014M60.9Low70.8Confident78 Ų7858.8 Ų58.838%0.38434%0.341SS..  trans-64.9125.3173.3-172.7-178.5177.100109.9N1016M1014-N1016 PolarHBondContact O-N 2.93Å
1015Q55.3Low69.9Low163 Ų16365.6 Ų65.676%0.76237%0.372SS*.  trans-74.6107.4168.1-72.8-175.6-6.300108.8V1013 L1017V1013-Q1015 PolarHBondContact O-N 2.87Å; Q1015-L1017 PolarHBondContact O-N 2.84Å
1016N47.9Very low69.3Low68 Ų6867 Ų6736%0.36439%0.394SS..  trans-65108.9171.8-77.3-26.5000109.5M1014 G1018 E1019M1014-N1016 PolarHBondContact O-N 2.93Å; N1016-G1018 PolarHBondContact O-N 3.1Å; N1016-E1019 HydrophobicContact CB-CB 4.36Å; N1016-E1019 HydrophobicContact CB-CG 4.39Å; N1016-E1019 PolarHBondContact ND2-OE2 2.71Å; N1016-E1019 PolarHBondContact O-N 2.75Å
1017L37.3Very low68.8Low189 Ų18967.7 Ų67.799%0.9940%0.4SS*.THydrogen-bonded Turntrans-59.293.2168.9-78.2141000109.6Q1015Q1015-L1017 PolarHBondContact O-N 2.84Å
1018G41.6Very low68.7Low69 Ų6967.5 Ų67.571%0.71140%0.399SS*.THydrogen-bonded Turntrans139.8-21.1176.700000115.3N1016 T1020N1016-G1018 PolarHBondContact O-N 3.1Å; G1018-T1020 PolarHBondContact O-N 2.8Å
1019E46.5Very low68.7Low98 Ų9866.6 Ų66.646%0.45839%0.393SS..  trans-88.879.4172.1-71.4-176.3149.100109.2N1016 S1021 R1138N1016-E1019 HydrophobicContact CB-CB 4.36Å; N1016-E1019 HydrophobicContact CB-CG 4.39Å; N1016-E1019 PolarHBondContact ND2-OE2 2.71Å; N1016-E1019 PolarHBondContact O-N 2.75Å; E1019-S1021 PolarHBondContact O-N 2.97Å; E1019-R1138 IonicContact OE1-NH1 3.54Å; E1019-R1138 IonicContact OE2-NH1 2.71Å
1020T42.3Very low69Low148 Ų14862.1 Ų62.191%0.90837%0.372SS*.THydrogen-bonded Turntrans-70.531.3178.743.10000114.4G1018G1018-T1020 PolarHBondContact O-N 2.8Å
1021S53Low69.5Low52 Ų5261.1 Ų61.136%0.36436%0.362SS..THydrogen-bonded Turntrans-106.2-14.8-17466.20000116.3E1019 P1023E1019-S1021 PolarHBondContact O-N 2.97Å; S1021-P1023 WeakPolarHBondContact O-CD 3.21Å
1022T61.1Low70.3Confident73 Ų7359.7 Ų59.745%0.44835%0.352SS..  trans-66.2121.6-179.150.90000110.5T1024 I1139T1022-T1024 PolarHBondContact O-N 2.92Å; T1022-T1024 VanDerWaalsContact O-N 3.1Å; T1022-I1139 HydrophobicContact CG2-CG2 4.23Å
1023P66.3Low71.2Confident18 Ų1860.9 Ų60.912%0.11736%0.359CS..  trans-798.6-171.532.6-37.1000114.5S1021 W1047 L1136S1021-P1023 WeakPolarHBondContact O-CD 3.21Å; P1023-W1047 HydrophobicContact CB-CB 4.29Å; P1023-W1047 HydrophobicContact CB-CD2 3.48Å; P1023-W1047 VanDerWaalsContact CB-CD2 3.48Å; P1023-W1047 HydrophobicContact CB-CE3 4.24Å; P1023-W1047 HydrophobicContact CB-CG 3.47Å; P1023-W1047 VanDerWaalsContact CB-CG 3.47Å; P1023-W1047 HydrophobicContact CB-CZ2 3.98Å; P1023-W1047 VanDerWaalsContact CB-NE1 3.28Å; P1023-W1047 HydrophobicContact CG-CD2 4.02Å; P1023-W1047 HydrophobicContact CG-CE3 4.28Å; P1023-W1047 HydrophobicContact CG-CG 4.33Å; P1023-W1047 HydrophobicContact CG-CZ2 4.38Å; P1023-L1136 HydrophobicContact CG-CD2 3.96Å
1024T78.3Confident72.4Confident28 Ų2859.7 Ų59.717%0.17235%0.352CS..EExtended strand (participates in β ladder)trans-105.4147.9-165.249.60000111.6T1022 T1041 S1042 L1043 L1136 I1139T1022-T1024 PolarHBondContact O-N 2.92Å; T1022-T1024 VanDerWaalsContact O-N 3.1Å; T1024-T1041 VanDerWaalsContact CB-OG1 3.3Å; T1024-T1041 WeakPolarHBondContact CB-OG1 3.19Å; T1024-T1041 HydrophobicContact CG2-CG2 3.52Å; T1024-S1042 CarbonylContact C-O 3.6Å; T1024-S1042 VanDerWaalsContact CA-O 3.31Å; T1024-S1042 WeakPolarHBondContact CA-O 3.48Å; T1024-L1043 HydrophobicContact CG2-CD2 3.76Å; T1024-L1136 HydrophobicContact CG2-CD2 4.42Å; T1024-I1139 HydrophobicContact CG2-CD1 4.2Å
1025Q79.2Confident74.2Confident146 Ų14656 Ų5668%0.68233%0.333SS*.EExtended strand (participates in β ladder)trans-128.1131.9176.3-65.9-177.3-4.300110.3T1041 S1042Q1025-T1041 PolarHBondContact O-OG1 3.48Å; Q1025-S1042 PolarHBondContact N-O 3.01Å; Q1025-S1042 WeakPolarHBondContact O-CB 3.46Å; Q1025-S1042 PolarHBondContact O-N 2.77Å
1026G81.9Confident76.1Confident61 Ų6148.5 Ų48.563%0.62930%0.299SS*.EExtended strand (participates in β ladder)trans71.6170.1-17400000112.7T1041G1026-T1041 PolarHBondContact O-OG1 2.9Å
1027S88.2Confident78.5Confident26 Ų2645.3 Ų45.318%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-159.7109.3177.6-178.30000109.8H1009 G1010 L1039H1009-S1027 WeakPolarHBondContact CA-O 3.21Å; G1010-S1027 PolarHBondContact N-O 2.8Å; G1010-S1027 VanDerWaalsContact N-O 3.08Å; G1010-S1027 VanDerWaalsContact O-CB 3.24Å; G1010-S1027 WeakPolarHBondContact O-CB 3.18Å; G1010-S1027 PolarHBondContact O-OG 2.98Å; S1027-L1039 WeakPolarHBondContact OG-CD1 3.42Å
1028V95.4Very high81.2Confident2 Ų236.3 Ų36.31%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-112.2109.8175.4177.40000108.8E958 L960 L966 F1007 L1039 V1040E958-V1028 HydrophobicContact CB-CG1 4.22Å; E958-V1028 HydrophobicContact CG-CG1 3.83Å; E958-V1028 HydrophobicContact CG-CG2 3.97Å; L960-V1028 HydrophobicContact CD2-CB 4.42Å; L960-V1028 HydrophobicContact CD2-CG2 3.83Å; L966-V1028 HydrophobicContact CD2-CG1 4.3Å; F1007-V1028 HydrophobicContact CB-CG1 3.98Å; F1007-V1028 HydrophobicContact CD1-CG1 3.74Å; F1007-V1028 HydrophobicContact CG-CG1 4.18Å; V1028-L1039 WeakPolarHBondContact O-CA 3.46Å; V1028-V1040 PolarHBondContact N-O 2.93Å; V1028-V1040 PolarHBondContact O-N 3.27Å
1029L96.1Very high83.7Confident4 Ų433.1 Ų33.12%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-76.9147.9170.3-61.3173.6000109.7M362 V364 L375 F1007 C1008 L1012 G1038 L1039M362-L1029 HydrophobicContact CE-CB 4.05Å; M362-L1029 VanDerWaalsContact CE-O 3.26Å; M362-L1029 WeakPolarHBondContact CE-O 3.35Å; V364-L1029 HydrophobicContact CG2-CD1 3.81Å; L375-L1029 HydrophobicContact CD1-CD1 4.31Å; F1007-L1029 CarbonylContact C-O 3.55Å; F1007-L1029 WeakPolarHBondContact CA-O 3.18Å; C1008-L1029 PolarHBondContact N-O 3.37Å; C1008-L1029 PolarHBondContact O-N 3.42Å; L1012-L1029 HydrophobicContact CG-CD1 4.3Å; L1029-G1038 CarbonylContact C-O 3.44Å; L1029-G1038 WeakPolarHBondContact CA-O 3.43Å; L1029-L1039 HydrophobicContact CD2-CB 4.31Å; L1029-L1039 HydrophobicContact CD2-CD1 3.95Å
1030F98.2Very high86.1Confident0 Ų028.5 Ų28.50%018%0.18CC..EExtended strand (participates in β ladder)trans-132.7141.8170.660.5-97.6000112.1V6 L1000 V1004 V1006 F1007 T1032 M1036 I1037 G1038 L1039 V1040V6-F1030 HydrophobicContact CG2-CE1 3.97Å; V6-F1030 HydrophobicContact CG2-CZ 4.01Å; L1000-F1030 HydrophobicContact CD1-CZ 4.23Å; L1000-F1030 HydrophobicContact CD2-CD2 4.4Å; L1000-F1030 HydrophobicContact CD2-CE2 3.64Å; L1000-F1030 HydrophobicContact CD2-CZ 3.97Å; V1004-F1030 HydrophobicContact CG1-CB 3.76Å; V1004-F1030 HydrophobicContact CG1-CD2 4.45Å; V1004-F1030 HydrophobicContact CG1-CG 4.37Å; V1004-F1030 HydrophobicContact CG2-CB 4.5Å; V1004-F1030 HydrophobicContact CG2-CD2 3.68Å; V1004-F1030 HydrophobicContact CG2-CE2 4.14Å; V1004-F1030 HydrophobicContact CG2-CG 4.25Å; V1006-F1030 VanDerWaalsContact O-CA 3.26Å; V1006-F1030 WeakPolarHBondContact O-CA 3.16Å; F1007-F1030 HydrophobicContact CD1-CB 3.54Å; F1007-F1030 HydrophobicContact CE1-CB 3.6Å; F1007-F1030 HydrophobicContact CE1-CD1 4.32Å; F1007-F1030 HydrophobicContact CE1-CG 4.24Å; F1030-T1032 HydrophobicContact CD2-CG2 4.13Å; F1030-T1032 HydrophobicContact CE2-CG2 4.34Å; F1030-M1036 HydrophobicContact CE2-CE 4.28Å; F1030-M1036 HydrophobicContact CE2-SD 4.16Å; F1030-I1037 WeakPolarHBondContact O-CA 3.38Å; F1030-G1038 VanDerWaalsContact CD1-C 3.49Å; F1030-G1038 WeakPolarHBondContact CD1-O 3.48Å; F1030-G1038 PolarHBondContact N-O 3.45Å; F1030-G1038 PolarHBondContact O-N 3.1Å; F1030-L1039 VanDerWaalsContact CE1-N 3.35Å; F1030-V1040 HydrophobicContact CD1-CG2 3.98Å; F1030-V1040 HydrophobicContact CE1-CG2 3.78Å
1031G98.1Very high88.6Confident0 Ų021.7 Ų21.70%014%0.138CC..EExtended strand (participates in β ladder)trans-106149.9172.500000110.8N1005 V1006N1005-G1031 PolarHBondContact N-O 2.87Å; N1005-G1031 PolarHBondContact OD1-O 3Å; N1005-G1031 VanDerWaalsContact OD1-O 3.13Å; V1006-G1031 PolarHBondContact O-N 2.83Å; V1006-G1031 VanDerWaalsContact O-N 3.09Å
1032T98.4Very high90.4Very high0 Ų020.2 Ų20.20%013%0.127CC..EExtended strand (participates in β ladder)trans-123.4161.6179.288.60000112.7I359 E1002 F1003 V1004 F1030 N1034 G1035 M1036I359-T1032 PolarHBondContact N-O 2.93Å; E1002-T1032 HydrophobicContact CB-CG2 3.89Å; E1002-T1032 PolarHBondContact OE2-OG1 2.99Å; F1003-T1032 VanDerWaalsContact O-CA 3.27Å; F1003-T1032 WeakPolarHBondContact O-CA 3.42Å; F1003-T1032 WeakPolarHBondContact O-CB 3.3Å; V1004-T1032 HydrophobicContact CG2-CG2 4.1Å; F1030-T1032 HydrophobicContact CD2-CG2 4.13Å; F1030-T1032 HydrophobicContact CE2-CG2 4.34Å; T1032-N1034 PolarHBondContact O-N 2.87Å; T1032-N1034 VanDerWaalsContact O-N 3.16Å; T1032-N1034 PolarHBondContact OG1-N 3.16Å; T1032-G1035 PolarHBondContact O-N 3.42Å; T1032-M1036 HydrophobicContact CG2-CB 3.81Å; T1032-M1036 HydrophobicContact CG2-CG 4.38Å; T1032-M1036 HydrophobicContact CG2-SD 3.96Å; T1032-M1036 PolarHBondContact N-O 3.33Å; T1032-M1036 WeakPolarHBondContact OG1-CB 3.38Å; T1032-M1036 PolarHBondContact OG1-N 3.33Å
1033V97.4Very high91.9Very high27 Ų2717.2 Ų17.216%0.16411%0.108CC..THydrogen-bonded Turntrans-63.3-17.4175.2-56.20000114P358 F1003P358-V1033 VanDerWaalsContact CA-O 3.31Å; P358-V1033 WeakPolarHBondContact CA-O 3.25Å; P358-V1033 HydrophobicContact CB-CB 4.4Å; F1003-V1033 HydrophobicContact CB-CG1 4.1Å; F1003-V1033 HydrophobicContact CB-CG2 3.65Å; F1003-V1033 HydrophobicContact CD1-CG1 3.64Å; F1003-V1033 HydrophobicContact CE1-CG1 4.44Å; F1003-V1033 HydrophobicContact CG-CG1 4.18Å; F1003-V1033 HydrophobicContact CG-CG2 4.48Å; F1003-V1033 PolarHBondContact O-N 3.03Å; F1003-V1033 VanDerWaalsContact O-N 3.15Å
1034N97.8Very high93Very high3 Ų318.4 Ų18.42%0.01612%0.117CC..THydrogen-bonded Turntrans-98.511.3176.8-56.5-53.4000112.1P12 T13 A14 N36 R327 E1002 T1032 M1036P12-N1034 HydrophobicContact CB-CB 4.16Å; T13-N1034 PolarHBondContact N-O 2.93Å; A14-N1034 HydrophobicContact CB-CB 4.16Å; A14-N1034 WeakPolarHBondContact CB-O 3.34Å; A14-N1034 PolarHBondContact N-O 3.01Å; N36-N1034 HydrophobicContact CB-CB 4.41Å; N36-N1034 VanDerWaalsContact CG-ND2 3.33Å; N36-N1034 PolarHBondContact ND2-ND2 2.89Å; R327-N1034 PolarHBondContact NH1-OD1 2.72Å; R327-N1034 PolarHBondContact NH2-OD1 2.82Å; E1002-N1034 WeakPolarHBondContact OE2-CB 3.42Å; E1002-N1034 PolarHBondContact OE2-ND2 2.81Å; T1032-N1034 PolarHBondContact O-N 2.87Å; T1032-N1034 VanDerWaalsContact O-N 3.16Å; T1032-N1034 PolarHBondContact OG1-N 3.16Å; N1034-M1036 VanDerWaalsContact C-N 3.32Å; N1034-M1036 PolarHBondContact O-N 3.16Å
1035G97.3Very high93.6Very high0 Ų022.4 Ų22.40%013%0.134CC..SBendtrans74.820.8178.200000114.1T13 T1032T13-G1035 PolarHBondContact OG1-O 2.84Å; T1032-G1035 PolarHBondContact O-N 3.42Å
1036M96.9Very high94Very high7 Ų719.3 Ų19.33%0.03413%0.129CC..  trans-80.5141.8170.2-177.2-153.4-175.200109.3T8 Q10 P12 L1000 E1002 F1030 T1032 N1034T8-M1036 HydrophobicContact CG2-CE 3.57Å; T8-M1036 HydrophobicContact CG2-CG 4.01Å; T8-M1036 WeakPolarHBondContact OG1-CE 3.48Å; Q10-M1036 WeakPolarHBondContact O-CA 3.37Å; Q10-M1036 WeakPolarHBondContact O-CG 3.33Å; P12-M1036 HydrophobicContact CB-CB 4.5Å; P12-M1036 HydrophobicContact CG-CB 4.09Å; P12-M1036 HydrophobicContact CG-CG 4.36Å; L1000-M1036 HydrophobicContact CD1-CE 4.45Å; E1002-M1036 HydrophobicContact CB-SD 4.14Å; E1002-M1036 HydrophobicContact CG-SD 3.59Å; E1002-M1036 VanDerWaalsContact CG-SD 3.59Å; F1030-M1036 HydrophobicContact CE2-CE 4.28Å; F1030-M1036 HydrophobicContact CE2-SD 4.16Å; T1032-M1036 HydrophobicContact CG2-CB 3.81Å; T1032-M1036 HydrophobicContact CG2-CG 4.38Å; T1032-M1036 HydrophobicContact CG2-SD 3.96Å; T1032-M1036 PolarHBondContact N-O 3.33Å; T1032-M1036 WeakPolarHBondContact OG1-CB 3.38Å; T1032-M1036 PolarHBondContact OG1-N 3.33Å; N1034-M1036 VanDerWaalsContact C-N 3.32Å; N1034-M1036 PolarHBondContact O-N 3.16Å
1037I96.3Very high94.4Very high0 Ų019 Ų190%011%0.108CC..EExtended strand (participates in β ladder)trans-115126.7166-60.6160.3000107.2A9 Q10 L356 I359 L375 I390 F1030A9-I1037 HydrophobicContact CB-CG2 4.22Å; A9-I1037 PolarHBondContact N-O 3.49Å; Q10-I1037 HydrophobicContact CB-CB 3.92Å; Q10-I1037 HydrophobicContact CB-CD1 4.1Å; Q10-I1037 HydrophobicContact CB-CG1 4.25Å; Q10-I1037 PolarHBondContact N-O 2.7Å; Q10-I1037 PolarHBondContact O-N 3.1Å; L356-I1037 HydrophobicContact CD1-CD1 3.78Å; L356-I1037 HydrophobicContact CD1-CG1 4.46Å; I359-I1037 HydrophobicContact CD1-CD1 4.39Å; I359-I1037 HydrophobicContact CD1-CG1 3.74Å; L375-I1037 HydrophobicContact CD2-CD1 3.69Å; L375-I1037 HydrophobicContact CD2-CG1 4.2Å; L375-I1037 HydrophobicContact CD2-CG2 4.11Å; I390-I1037 HydrophobicContact CD1-CD1 3.36Å; F1030-I1037 WeakPolarHBondContact O-CA 3.38Å
1038G95.5Very high94.6Very high0 Ų018.3 Ų18.30%010%0.102CC..EExtended strand (participates in β ladder)trans-129.1174.8172.800000112.2V7 L1029 F1030V7-G1038 CarbonylContact O-C 3.58Å; V7-G1038 WeakPolarHBondContact O-CA 3.35Å; L1029-G1038 CarbonylContact C-O 3.44Å; L1029-G1038 WeakPolarHBondContact CA-O 3.43Å; F1030-G1038 VanDerWaalsContact CD1-C 3.49Å; F1030-G1038 WeakPolarHBondContact CD1-O 3.48Å; F1030-G1038 PolarHBondContact N-O 3.45Å; F1030-G1038 PolarHBondContact O-N 3.1Å
1039L94.6Very high94.5Very high3 Ų322 Ų222%0.01612%0.122CC..EExtended strand (participates in β ladder)trans-130.9136.4-175.4171.770000109.4V6 V7 S1027 V1028 L1029 F1030 I1139 H1140V6-L1039 VanDerWaalsContact CA-O 3.31Å; V6-L1039 WeakPolarHBondContact CA-O 3.41Å; V7-L1039 HydrophobicContact CG1-CB 4.03Å; V7-L1039 HydrophobicContact CG1-CD2 4.23Å; V7-L1039 PolarHBondContact N-O 2.93Å; V7-L1039 PolarHBondContact O-N 2.91Å; S1027-L1039 WeakPolarHBondContact OG-CD1 3.42Å; V1028-L1039 WeakPolarHBondContact O-CA 3.46Å; L1029-L1039 HydrophobicContact CD2-CB 4.31Å; L1029-L1039 HydrophobicContact CD2-CD1 3.95Å; F1030-L1039 VanDerWaalsContact CE1-N 3.35Å; L1039-I1139 HydrophobicContact CD2-CB 4.38Å; L1039-I1139 HydrophobicContact CD2-CD1 3.81Å; L1039-I1139 HydrophobicContact CD2-CG1 3.58Å; L1039-H1140 HydrophobicContact CD2-CB 4.23Å
1040V96.3Very high94.2Very high1 Ų123 Ų231%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-115.2129.6163.7-1790000109N4 Y5 V6 L960 L966 L974 V1028 F1030 F1088N4-V1040 HydrophobicContact CB-CG1 4.39Å; Y5-V1040 WeakPolarHBondContact O-CA 3.41Å; V6-V1040 HydrophobicContact CB-CG2 4.41Å; V6-V1040 HydrophobicContact CG2-CG2 4.19Å; L960-V1040 HydrophobicContact CD2-CG1 4.35Å; L966-V1040 HydrophobicContact CD2-CB 4.19Å; L966-V1040 HydrophobicContact CD2-CG1 4.32Å; L966-V1040 HydrophobicContact CD2-CG2 4.06Å; L974-V1040 HydrophobicContact CD1-CG2 4.29Å; V1028-V1040 PolarHBondContact N-O 2.93Å; V1028-V1040 PolarHBondContact O-N 3.27Å; F1030-V1040 HydrophobicContact CD1-CG2 3.98Å; F1030-V1040 HydrophobicContact CE1-CG2 3.78Å; V1040-F1088 HydrophobicContact CG1-CE1 4.23Å
1041T93.5Very high94Very high5 Ų523 Ų233%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-136.7153.9174-179.90000110.7N4 Y5 T1024 Q1025 G1026 I1139N4-T1041 CarbonylContact C-O 3.57Å; N4-T1041 WeakPolarHBondContact CA-O 3.46Å; Y5-T1041 HydrophobicContact CD1-CG2 4.09Å; Y5-T1041 HydrophobicContact CG-CG2 4.46Å; Y5-T1041 PolarHBondContact N-O 2.9Å; Y5-T1041 PolarHBondContact O-N 3.46Å; T1024-T1041 VanDerWaalsContact CB-OG1 3.3Å; T1024-T1041 WeakPolarHBondContact CB-OG1 3.19Å; T1024-T1041 HydrophobicContact CG2-CG2 3.52Å; Q1025-T1041 PolarHBondContact O-OG1 3.48Å; G1026-T1041 PolarHBondContact O-OG1 2.9Å; T1041-I1139 HydrophobicContact CG2-CD1 4.16Å
1042S92.6Very high93.9Very high20 Ų2025.4 Ų25.414%0.1414%0.14CC..EExtended strand (participates in β ladder)trans-84.1148.6173.2-55.70000111.2Y3 T1024 Q1025Y3-S1042 CarbonylContact O-C 3.47Å; Y3-S1042 WeakPolarHBondContact O-CA 3.12Å; T1024-S1042 CarbonylContact C-O 3.6Å; T1024-S1042 VanDerWaalsContact CA-O 3.31Å; T1024-S1042 WeakPolarHBondContact CA-O 3.48Å; Q1025-S1042 PolarHBondContact N-O 3.01Å; Q1025-S1042 WeakPolarHBondContact O-CB 3.46Å; Q1025-S1042 PolarHBondContact O-N 2.77Å
1043L91.7Very high93.7Very high10 Ų1028.2 Ų28.25%0.05215%0.154CC..EExtended strand (participates in β ladder)trans-117.2156.5176.2-67175.1000110Y3 Y5 T1024 Y1048 L1051 I1089Y3-L1043 WeakPolarHBondContact CB-O 3.34Å; Y3-L1043 PolarHBondContact O-N 3.32Å; Y5-L1043 HydrophobicContact CD2-CD1 4.4Å; T1024-L1043 HydrophobicContact CG2-CD2 3.76Å; L1043-Y1048 HydrophobicContact CD1-CD2 4.41Å; L1043-L1051 HydrophobicContact CD1-CD1 3.76Å; L1043-L1051 HydrophobicContact CD2-CD1 4.49Å; L1043-I1089 HydrophobicContact CD1-CG1 4.12Å
1044S89.8Confident93.5Very high44 Ų4426.9 Ų26.931%0.30815%0.146SC..  trans-68.5156.5162780000110.7S1046 W1047 Y1048S1044-S1046 VanDerWaalsContact C-N 3.25Å; S1044-S1046 PolarHBondContact O-N 3.34Å; S1044-S1046 PolarHBondContact OG-OG 3.01Å; S1044-W1047 PolarHBondContact O-N 2.87Å; S1044-W1047 PolarHBondContact OG-N 2.94Å; S1044-Y1048 WeakPolarHBondContact O-CB 3.37Å; S1044-Y1048 PolarHBondContact O-N 2.71Å
1045E90.5Very high93.4Very high112 Ų11227.6 Ų27.652%0.52315%0.15SC..Hα-helixtrans-57-38.7176.1-178.9175.4-171.800112.6Y3 N1049Y3-E1045 HydrophobicContact CD2-CB 4.09Å; Y3-E1045 HydrophobicContact CE1-CG 4.25Å; Y3-E1045 HydrophobicContact CE2-CB 3.6Å; Y3-E1045 HydrophobicContact CE2-CG 3.95Å; Y3-E1045 PolarHBondContact OH-OE1 3.36Å; E1045-N1049 WeakPolarHBondContact CG-ND2 3.32Å; E1045-N1049 WeakPolarHBondContact O-CB 3.33Å; E1045-N1049 PolarHBondContact O-N 2.96Å; E1045-N1049 PolarHBondContact O-ND2 2.73Å
1046S88.2Confident93.3Very high81 Ų8131.2 Ų31.257%0.56617%0.169SC*.Hα-helixtrans-62.9-46.9178.655.20000111.9S1044 L1050S1044-S1046 VanDerWaalsContact C-N 3.25Å; S1044-S1046 PolarHBondContact O-N 3.34Å; S1044-S1046 PolarHBondContact OG-OG 3.01Å; S1046-L1050 PolarHBondContact O-N 2.84Å; S1046-L1050 VanDerWaalsContact O-N 3.16Å
1047W89Confident93.2Very high53 Ų5333.2 Ų33.220%0.20118%0.176CC..Hα-helixtrans-67.2-42.6178.1-82.1110.5000112P1023 S1044 N1049 L1050 L1051 V1132P1023-W1047 HydrophobicContact CB-CB 4.29Å; P1023-W1047 HydrophobicContact CB-CD2 3.48Å; P1023-W1047 VanDerWaalsContact CB-CD2 3.48Å; P1023-W1047 HydrophobicContact CB-CE3 4.24Å; P1023-W1047 HydrophobicContact CB-CG 3.47Å; P1023-W1047 VanDerWaalsContact CB-CG 3.47Å; P1023-W1047 HydrophobicContact CB-CZ2 3.98Å; P1023-W1047 VanDerWaalsContact CB-NE1 3.28Å; P1023-W1047 HydrophobicContact CG-CD2 4.02Å; P1023-W1047 HydrophobicContact CG-CE3 4.28Å; P1023-W1047 HydrophobicContact CG-CG 4.33Å; P1023-W1047 HydrophobicContact CG-CZ2 4.38Å; S1044-W1047 PolarHBondContact O-N 2.87Å; S1044-W1047 PolarHBondContact OG-N 2.94Å; W1047-N1049 PolarHBondContact O-N 2.99Å; W1047-L1050 HydrophobicContact CE3-CD2 3.93Å; W1047-L1050 HydrophobicContact CZ3-CD2 3.85Å; W1047-L1050 PolarHBondContact O-N 3.21Å; W1047-L1051 WeakPolarHBondContact O-CB 3.42Å; W1047-L1051 WeakPolarHBondContact O-CG 3.49Å; W1047-L1051 PolarHBondContact O-N 3.32Å; W1047-V1132 HydrophobicContact CH2-CG1 4.32Å; W1047-V1132 HydrophobicContact CH2-CG2 3.94Å; W1047-V1132 HydrophobicContact CZ3-CB 4.38Å; W1047-V1132 HydrophobicContact CZ3-CG1 3.61Å; W1047-V1132 HydrophobicContact CZ3-CG2 3.89Å
1048Y93Very high93.1Very high12 Ų1233.2 Ų33.25%0.04718%0.176CC..Hα-helixtrans-57.9-47.1175.9179.9-89.3000112.2Y3 L1043 S1044 L1050 L1051 L1052 G1087 I1089Y3-Y1048 AromaticContact CD1-CD1 3.42Å; Y3-Y1048 HydrophobicContact CD1-CD1 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CD1 3.42Å; Y3-Y1048 AromaticContact CD1-CD2 3.86Å; Y3-Y1048 HydrophobicContact CD1-CD2 3.86Å; Y3-Y1048 AromaticContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE2 4.27Å; Y3-Y1048 AromaticContact CD1-CG 3.42Å; Y3-Y1048 HydrophobicContact CD1-CG 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CG 3.42Å; Y3-Y1048 AromaticContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CE1 4.29Å; Y3-Y1048 HydrophobicContact CE1-CG 4.34Å; Y3-Y1048 HydrophobicContact CG-CD1 4.38Å; Y3-Y1048 HydrophobicContact CG-CD2 4.25Å; Y3-Y1048 AromaticContact CG-CG 3.96Å; Y3-Y1048 HydrophobicContact CG-CG 3.96Å; L1043-Y1048 HydrophobicContact CD1-CD2 4.41Å; S1044-Y1048 WeakPolarHBondContact O-CB 3.37Å; S1044-Y1048 PolarHBondContact O-N 2.71Å; Y1048-L1050 PolarHBondContact O-N 2.73Å; Y1048-L1051 PolarHBondContact O-N 2.88Å; Y1048-L1052 HydrophobicContact CE1-CD2 3.99Å; Y1048-L1052 VanDerWaalsContact O-CB 3.27Å; Y1048-L1052 WeakPolarHBondContact O-CB 3.45Å; Y1048-L1052 PolarHBondContact O-N 3.43Å; Y1048-G1087 WeakPolarHBondContact OH-CA 3.33Å; Y1048-G1087 PolarHBondContact OH-N 3.39Å; Y1048-I1089 HydrophobicContact CD2-CD1 3.89Å; Y1048-I1089 HydrophobicContact CD2-CG1 3.64Å; Y1048-I1089 HydrophobicContact CE2-CD1 3.71Å; Y1048-I1089 HydrophobicContact CE2-CG1 3.75Å; Y1048-I1089 HydrophobicContact CG-CD1 4.43Å; Y1048-I1089 HydrophobicContact CG-CG1 4.45Å
1049N92.5Very high92.9Very high81 Ų8135.3 Ų35.343%0.43319%0.187SC..Hα-helixtrans-65.1-39.1179.7-75.7-48000112.7E1045 W1047 D1053E1045-N1049 WeakPolarHBondContact CG-ND2 3.32Å; E1045-N1049 WeakPolarHBondContact O-CB 3.33Å; E1045-N1049 PolarHBondContact O-N 2.96Å; E1045-N1049 PolarHBondContact O-ND2 2.73Å; W1047-N1049 PolarHBondContact O-N 2.99Å; N1049-D1053 PolarHBondContact O-N 3.14Å; N1049-D1053 VanDerWaalsContact O-N 3.13Å
1050L91.3Very high92.7Very high24 Ų2443.2 Ų43.213%0.12622%0.222CC..Hα-helixtrans-61.1-50.5174.6173.966.1000111S1046 W1047 Y1048 L1052 D1053 M1054 L1112 Y1114S1046-L1050 PolarHBondContact O-N 2.84Å; S1046-L1050 VanDerWaalsContact O-N 3.16Å; W1047-L1050 HydrophobicContact CE3-CD2 3.93Å; W1047-L1050 HydrophobicContact CZ3-CD2 3.85Å; W1047-L1050 PolarHBondContact O-N 3.21Å; Y1048-L1050 PolarHBondContact O-N 2.73Å; L1050-L1052 VanDerWaalsContact C-N 3.31Å; L1050-L1052 PolarHBondContact O-N 2.98Å; L1050-D1053 PolarHBondContact O-N 3.47Å; L1050-M1054 PolarHBondContact O-N 2.92Å; L1050-L1112 HydrophobicContact CD1-CD1 4.37Å; L1050-L1112 HydrophobicContact CD1-CD2 4.25Å; L1050-L1112 HydrophobicContact CD1-CG 4.36Å; L1050-Y1114 HydrophobicContact CD1-CD2 4.24Å; L1050-Y1114 HydrophobicContact CD2-CD2 3.67Å; L1050-Y1114 HydrophobicContact CD2-CE2 3.9Å
1051L94.2Very high92.5Very high0 Ų044 Ų440%023%0.226CC..Hα-helixtrans-68.4-31.9-178.5-65.5175.3000112.1Y5 L1043 W1047 Y1048 M1054 Q1055 I1089 I1094 V1132 L1136Y5-L1051 HydrophobicContact CD2-CD1 4.22Å; Y5-L1051 HydrophobicContact CE2-CD1 4.45Å; L1043-L1051 HydrophobicContact CD1-CD1 3.76Å; L1043-L1051 HydrophobicContact CD2-CD1 4.49Å; W1047-L1051 WeakPolarHBondContact O-CB 3.42Å; W1047-L1051 WeakPolarHBondContact O-CG 3.49Å; W1047-L1051 PolarHBondContact O-N 3.32Å; Y1048-L1051 PolarHBondContact O-N 2.88Å; L1051-M1054 HydrophobicContact CD2-SD 4.45Å; L1051-M1054 PolarHBondContact O-N 3.06Å; L1051-Q1055 VanDerWaalsContact O-CB 3.3Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; L1051-Q1055 PolarHBondContact O-N 2.74Å; L1051-I1089 HydrophobicContact CB-CD1 4.32Å; L1051-I1089 HydrophobicContact CB-CG1 4.15Å; L1051-I1089 HydrophobicContact CB-CG2 3.89Å; L1051-I1089 HydrophobicContact CD1-CG2 4.45Å; L1051-I1094 HydrophobicContact CD2-CD1 4.44Å; L1051-I1094 HydrophobicContact CD2-CG2 4.29Å; L1051-V1132 HydrophobicContact CD2-CG1 4.25Å; L1051-L1136 HydrophobicContact CD1-CD1 3.94Å; L1051-L1136 HydrophobicContact CD2-CD1 3.81Å
1052L94.8Very high92.2Very high51 Ų5145.8 Ų45.827%0.26724%0.235SC..Hα-helixtrans-65.3-43.4174.1-175.960000111.9Y1048 L1050 M1054 Q1055 N1056 I1089Y1048-L1052 HydrophobicContact CE1-CD2 3.99Å; Y1048-L1052 VanDerWaalsContact O-CB 3.27Å; Y1048-L1052 WeakPolarHBondContact O-CB 3.45Å; Y1048-L1052 PolarHBondContact O-N 3.43Å; L1050-L1052 VanDerWaalsContact C-N 3.31Å; L1050-L1052 PolarHBondContact O-N 2.98Å; L1052-M1054 VanDerWaalsContact C-N 3.35Å; L1052-Q1055 PolarHBondContact O-N 2.97Å; L1052-N1056 WeakPolarHBondContact O-CB 3.37Å; L1052-N1056 VanDerWaalsContact O-CG 3.26Å; L1052-N1056 PolarHBondContact O-N 3.25Å; L1052-N1056 PolarHBondContact O-ND2 2.77Å; L1052-I1089 HydrophobicContact CB-CD1 3.81Å; L1052-I1089 HydrophobicContact CD1-CD1 4.17Å
1053D94.2Very high91.8Very high58 Ų5853.9 Ų53.931%0.3127%0.268SS..Hα-helixtrans-64-43.2174.9-165.913.4000110.5N1049 L1050 Q1055 N1056 R1057 L1112N1049-D1053 PolarHBondContact O-N 3.14Å; N1049-D1053 VanDerWaalsContact O-N 3.13Å; L1050-D1053 PolarHBondContact O-N 3.47Å; D1053-Q1055 PolarHBondContact O-N 2.93Å; D1053-N1056 PolarHBondContact O-N 2.86Å; D1053-R1057 VanDerWaalsContact O-CD 3.3Å; D1053-R1057 WeakPolarHBondContact O-CD 3.45Å; D1053-R1057 VanDerWaalsContact O-CG 3.26Å; D1053-R1057 WeakPolarHBondContact O-CG 3.29Å; D1053-R1057 PolarHBondContact O-N 2.89Å; D1053-R1057 VanDerWaalsContact O-N 3.08Å; D1053-R1057 IonicContact OD1-CZ 3.24Å; D1053-R1057 IonicContact OD1-NE 3.45Å; D1053-R1057 PolarHBondContact OD1-NE 2.88Å; D1053-R1057 IonicContact OD1-NH2 3.86Å; D1053-R1057 IonicContact OD2-CZ 2.97Å; D1053-R1057 IonicContact OD2-NE 3.87Å; D1053-R1057 PolarHBondContact OD2-NE 2.81Å; D1053-R1057 IonicContact OD2-NH2 2.65Å; D1053-R1057 PolarHBondContact OD2-NH2 3.47Å; D1053-L1112 HydrophobicContact CB-CD1 3.86Å; D1053-L1112 WeakPolarHBondContact OD2-CD1 3.4Å
1054M94Very high91.7Very high0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-57.9-48.2174.1-178.7172.8176.700112.4L1050 L1051 L1052 N1056 R1057 L1058 I1094 F1097 L1129 V1133L1050-M1054 PolarHBondContact O-N 2.92Å; L1051-M1054 HydrophobicContact CD2-SD 4.45Å; L1051-M1054 PolarHBondContact O-N 3.06Å; L1052-M1054 VanDerWaalsContact C-N 3.35Å; M1054-N1056 VanDerWaalsContact C-N 3.35Å; M1054-N1056 PolarHBondContact O-N 2.85Å; M1054-R1057 PolarHBondContact O-N 2.95Å; M1054-R1057 VanDerWaalsContact O-N 3.15Å; M1054-L1058 HydrophobicContact CE-CD1 3.93Å; M1054-L1058 HydrophobicContact CG-CD1 3.86Å; M1054-L1058 HydrophobicContact CG-CG 4.47Å; M1054-L1058 WeakPolarHBondContact O-CG 3.22Å; M1054-L1058 PolarHBondContact O-N 2.77Å; M1054-I1094 HydrophobicContact CB-CD1 4.27Å; M1054-I1094 HydrophobicContact CE-CG2 4.26Å; M1054-I1094 HydrophobicContact CG-CD1 4.02Å; M1054-I1094 HydrophobicContact SD-CD1 4.24Å; M1054-I1094 HydrophobicContact SD-CG2 4.39Å; M1054-F1097 HydrophobicContact CE-CB 3.44Å; M1054-F1097 VanDerWaalsContact CE-CB 3.44Å; M1054-F1097 HydrophobicContact CE-CD1 3.76Å; M1054-F1097 HydrophobicContact CE-CD2 3.89Å; M1054-F1097 HydrophobicContact CE-CE1 4.47Å; M1054-F1097 HydrophobicContact CE-CG 3.42Å; M1054-F1097 VanDerWaalsContact CE-CG 3.42Å; M1054-L1129 HydrophobicContact CE-CD1 4.38Å; M1054-L1129 HydrophobicContact CG-CD1 4.5Å; M1054-L1129 HydrophobicContact SD-CD1 4.14Å; M1054-L1129 HydrophobicContact SD-CD2 4.28Å; M1054-V1133 HydrophobicContact CE-CG2 3.44Å; M1054-V1133 VanDerWaalsContact CE-CG2 3.44Å; M1054-V1133 HydrophobicContact SD-CG2 4.26Å
1055Q95.3Very high91.7Very high18 Ų1853.7 Ų53.78%0.08427%0.266CS..Hα-helixtrans-56.6-47.3177.1-170.7-172.8-87.100111.5L1051 L1052 D1053 R1057 L1058 N1059 L1093 I1094L1051-Q1055 VanDerWaalsContact O-CB 3.3Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; L1051-Q1055 PolarHBondContact O-N 2.74Å; L1052-Q1055 PolarHBondContact O-N 2.97Å; D1053-Q1055 PolarHBondContact O-N 2.93Å; Q1055-R1057 PolarHBondContact O-N 2.92Å; Q1055-L1058 PolarHBondContact O-N 3.33Å; Q1055-N1059 WeakPolarHBondContact O-CB 3.39Å; Q1055-N1059 PolarHBondContact O-N 3.13Å; Q1055-N1059 PolarHBondContact O-ND2 3.36Å; Q1055-L1093 HydrophobicContact CG-CD2 3.56Å; Q1055-L1093 HydrophobicContact CG-CG 4.42Å; Q1055-I1094 HydrophobicContact CB-CD1 4.09Å
1056N94.8Very high91.8Very high75 Ų7548.5 Ų48.540%0.40124%0.243SC..Hα-helixtrans-64.1-30.1179.8-72.6-34000112.9L1052 D1053 M1054L1052-N1056 WeakPolarHBondContact O-CB 3.37Å; L1052-N1056 VanDerWaalsContact O-CG 3.26Å; L1052-N1056 PolarHBondContact O-N 3.25Å; L1052-N1056 PolarHBondContact O-ND2 2.77Å; D1053-N1056 PolarHBondContact O-N 2.86Å; M1054-N1056 VanDerWaalsContact C-N 3.35Å; M1054-N1056 PolarHBondContact O-N 2.85Å
1057R94.4Very high92Very high49 Ų4949.9 Ų49.919%0.18524%0.239CC..Hα-helixtrans-78.8-43.8176.4-68.8160.4-178.6-100.414.6111.4D1053 M1054 Q1055 N1059 K1060 V1061 V1108 A1110 N1111D1053-R1057 VanDerWaalsContact O-CD 3.3Å; D1053-R1057 WeakPolarHBondContact O-CD 3.45Å; D1053-R1057 VanDerWaalsContact O-CG 3.26Å; D1053-R1057 WeakPolarHBondContact O-CG 3.29Å; D1053-R1057 PolarHBondContact O-N 2.89Å; D1053-R1057 VanDerWaalsContact O-N 3.08Å; D1053-R1057 IonicContact OD1-CZ 3.24Å; D1053-R1057 IonicContact OD1-NE 3.45Å; D1053-R1057 PolarHBondContact OD1-NE 2.88Å; D1053-R1057 IonicContact OD1-NH2 3.86Å; D1053-R1057 IonicContact OD2-CZ 2.97Å; D1053-R1057 IonicContact OD2-NE 3.87Å; D1053-R1057 PolarHBondContact OD2-NE 2.81Å; D1053-R1057 IonicContact OD2-NH2 2.65Å; D1053-R1057 PolarHBondContact OD2-NH2 3.47Å; M1054-R1057 PolarHBondContact O-N 2.95Å; M1054-R1057 VanDerWaalsContact O-N 3.15Å; Q1055-R1057 PolarHBondContact O-N 2.92Å; R1057-N1059 VanDerWaalsContact C-N 3.27Å; R1057-N1059 PolarHBondContact O-N 2.83Å; R1057-K1060 WeakPolarHBondContact O-CB 3.46Å; R1057-K1060 PolarHBondContact O-N 3.04Å; R1057-V1061 PolarHBondContact O-N 2.88Å; R1057-V1108 HydrophobicContact CB-CG1 3.99Å; R1057-V1108 VanDerWaalsContact CD-O 3.3Å; R1057-V1108 WeakPolarHBondContact CD-O 3.39Å; R1057-A1110 PolarHBondContact NH1-O 3.39Å; R1057-N1111 PolarHBondContact NH2-O 2.89Å
1058L94.2Very high92.3Very high0 Ų047.7 Ų47.70%023%0.231CC..Hα-helixtrans-55.7-43.3173.1-78.3163.6000111.7M1054 Q1055 K1060 V1061 I1062 L1093 I1094 F1097 I1100 V1108M1054-L1058 HydrophobicContact CE-CD1 3.93Å; M1054-L1058 HydrophobicContact CG-CD1 3.86Å; M1054-L1058 HydrophobicContact CG-CG 4.47Å; M1054-L1058 WeakPolarHBondContact O-CG 3.22Å; M1054-L1058 PolarHBondContact O-N 2.77Å; Q1055-L1058 PolarHBondContact O-N 3.33Å; L1058-K1060 PolarHBondContact O-N 2.83Å; L1058-K1060 VanDerWaalsContact O-N 3.16Å; L1058-V1061 PolarHBondContact O-N 3.04Å; L1058-V1061 VanDerWaalsContact O-N 3.08Å; L1058-I1062 HydrophobicContact CB-CD1 4.48Å; L1058-I1062 HydrophobicContact CD2-CD1 3.75Å; L1058-I1062 HydrophobicContact CD2-CG1 4.47Å; L1058-I1062 WeakPolarHBondContact O-CB 3.27Å; L1058-I1062 PolarHBondContact O-N 2.87Å; L1058-L1093 HydrophobicContact CB-CD1 4.06Å; L1058-L1093 HydrophobicContact CB-CG 4.24Å; L1058-L1093 WeakPolarHBondContact CD1-O 3.19Å; L1058-I1094 HydrophobicContact CD1-CD1 4.18Å; L1058-F1097 HydrophobicContact CD1-CB 4.31Å; L1058-F1097 HydrophobicContact CD2-CB 3.97Å; L1058-F1097 HydrophobicContact CD2-CD2 4.01Å; L1058-F1097 HydrophobicContact CD2-CG 4.49Å; L1058-I1100 HydrophobicContact CD2-CD1 4.28Å; L1058-V1108 HydrophobicContact CD2-CG1 4.42Å; L1058-V1108 HydrophobicContact CD2-CG2 4.01Å; L1058-V1108 HydrophobicContact CG-CG1 4.2Å; L1058-V1108 HydrophobicContact CG-CG2 4.41Å
1059N91.9Very high92.3Very high45 Ų4553.2 Ų53.224%0.24126%0.257CS..Hα-helixtrans-57.8-27175.3-82.5-25.5000114.6Q1055 R1057 H1070 L1093Q1055-N1059 WeakPolarHBondContact O-CB 3.39Å; Q1055-N1059 PolarHBondContact O-N 3.13Å; Q1055-N1059 PolarHBondContact O-ND2 3.36Å; R1057-N1059 VanDerWaalsContact C-N 3.27Å; R1057-N1059 PolarHBondContact O-N 2.83Å; N1059-H1070 PolarHBondContact ND2-ND1 3.27Å; N1059-H1070 WeakPolarHBondContact OD1-CB 3.33Å; N1059-L1093 WeakPolarHBondContact OD1-CD2 3.39Å
1060K91Very high92.5Very high169 Ų16950 Ų5074%0.73524%0.24SC*.Hα-helixtrans-83.1-32.6176.9-66.5172.8-175.3173.30112.3R1057 L1058R1057-K1060 WeakPolarHBondContact O-CB 3.46Å; R1057-K1060 PolarHBondContact O-N 3.04Å; L1058-K1060 PolarHBondContact O-N 2.83Å; L1058-K1060 VanDerWaalsContact O-N 3.16Å
1061V91.4Very high92.6Very high16 Ų1652.7 Ų52.710%0.09726%0.261CS..Hα-helixtrans-88-38.5-174.2176.80000111.7R1057 L1058 K1104 E1107 V1108R1057-V1061 PolarHBondContact O-N 2.88Å; L1058-V1061 PolarHBondContact O-N 3.04Å; L1058-V1061 VanDerWaalsContact O-N 3.08Å; V1061-K1104 HydrophobicContact CG1-CB 3.72Å; V1061-K1104 HydrophobicContact CG1-CD 4.12Å; V1061-K1104 HydrophobicContact CG1-CG 3.93Å; V1061-E1107 HydrophobicContact CG2-CB 4.27Å; V1061-E1107 HydrophobicContact CG2-CG 3.85Å; V1061-V1108 HydrophobicContact CB-CG2 4Å; V1061-V1108 HydrophobicContact CG1-CG2 4.23Å; V1061-V1108 HydrophobicContact CG2-CG2 3.72Å
1062I88.1Confident92.7Very high44 Ų4456.1 Ų56.123%0.22628%0.275CS..SBendtrans-91.3118.6-178.4-59.6178.4000109.1L1058 L1093 S1096 I1100L1058-I1062 HydrophobicContact CB-CD1 4.48Å; L1058-I1062 HydrophobicContact CD2-CD1 3.75Å; L1058-I1062 HydrophobicContact CD2-CG1 4.47Å; L1058-I1062 WeakPolarHBondContact O-CB 3.27Å; L1058-I1062 PolarHBondContact O-N 2.87Å; I1062-L1093 HydrophobicContact CD1-CD1 4.31Å; I1062-S1096 WeakPolarHBondContact CD1-OG 3.36Å; I1062-I1100 HydrophobicContact CD1-CG2 3.95Å; I1062-I1100 HydrophobicContact CG1-CG2 3.96Å
1063K84.6Confident92.7Very high190 Ų19054.1 Ų54.183%0.82626%0.264SS*.PPolyproline II helixtrans-92119.3174.5-63.9-178.6-178175.60109
1064S88.6Confident92.8Very high25 Ų2552 Ų5218%0.17525%0.252CS..PPolyproline II helixtrans-69.4149.917861.30000112.2K1067 I1068S1064-K1067 PolarHBondContact O-N 2.86Å; S1064-K1067 VanDerWaalsContact O-N 3.1Å; S1064-I1068 WeakPolarHBondContact CB-O 3.1Å; S1064-I1068 PolarHBondContact OG-N 2.79Å; S1064-I1068 VanDerWaalsContact OG-N 3.16Å; S1064-I1068 PolarHBondContact OG-O 3.46Å
1065V90.4Very high93Very high24 Ų2452.5 Ų52.515%0.14526%0.256CS..G310 helixtrans-67137.3169.4174.70000109.6V55 L89 K1067V55-V1065 HydrophobicContact CG1-CB 4.11Å; V55-V1065 HydrophobicContact CG1-CG1 4.25Å; V55-V1065 HydrophobicContact CG1-CG2 3.58Å; L89-V1065 HydrophobicContact CD1-CG1 3.44Å; L89-V1065 VanDerWaalsContact CD1-CG1 3.44Å; L89-V1065 HydrophobicContact CD2-CG1 3.6Å; L89-V1065 HydrophobicContact CG-CG1 4.19Å; V1065-K1067 PolarHBondContact O-N 2.85Å
1066G92.5Very high93Very high4 Ų451.6 Ų51.64%0.04125%0.252CS..G310 helixtrans78.1-4-171.200000113.9T102 H105 I1068T102-G1066 PolarHBondContact OG1-N 2.79Å; H105-G1066 WeakPolarHBondContact CB-O 3.37Å; G1066-I1068 PolarHBondContact O-N 2.84Å
1067K92.7Very high92.9Very high109 Ų10951.4 Ų51.447%0.47425%0.248SC..G310 helixtrans53.238.2-174.9-59.7174.1172.8-179.80112.9T102 H105 S1064 V1065T102-K1067 HydrophobicContact CG2-CG 4.33Å; H105-K1067 VanDerWaalsContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact NE2-CD 3.3Å; S1064-K1067 PolarHBondContact O-N 2.86Å; S1064-K1067 VanDerWaalsContact O-N 3.1Å; V1065-K1067 PolarHBondContact O-N 2.85Å
1068I94.3Very high92.8Very high7 Ų749.9 Ų49.94%0.03624%0.244CC..  trans-83.3126.3174.9-56.2170.6000107.6M57 Y58 T81 N85 S1064 G1066 F1072M57-I1068 HydrophobicContact CG-CD1 4.46Å; Y58-I1068 WeakPolarHBondContact CD2-O 3.41Å; Y58-I1068 WeakPolarHBondContact O-CD1 3.38Å; Y58-I1068 WeakPolarHBondContact O-CG2 3.04Å; T81-I1068 HydrophobicContact CG2-CD1 4.15Å; N85-I1068 HydrophobicContact CB-CD1 3.61Å; N85-I1068 HydrophobicContact CB-CG1 3.88Å; S1064-I1068 WeakPolarHBondContact CB-O 3.1Å; S1064-I1068 PolarHBondContact OG-N 2.79Å; S1064-I1068 VanDerWaalsContact OG-N 3.16Å; S1064-I1068 PolarHBondContact OG-O 3.46Å; G1066-I1068 PolarHBondContact O-N 2.84Å; I1068-F1072 HydrophobicContact CG2-CD1 3.76Å; I1068-F1072 HydrophobicContact CG2-CE1 4.38Å
1069E94.2Very high92.2Very high129 Ų12959.7 Ų59.760%0.60329%0.29SS*.  trans-66.3137.2179.8-65.4-64.3152.800111.2S1071 F1072 W1073E1069-S1071 VanDerWaalsContact C-N 3.29Å; E1069-S1071 PolarHBondContact O-N 2.79Å; E1069-F1072 HydrophobicContact CB-CB 4.08Å; E1069-F1072 WeakPolarHBondContact O-CB 3.46Å; E1069-F1072 PolarHBondContact O-N 3.24Å; E1069-W1073 PolarHBondContact O-N 2.74Å
1070H95Very high91.9Very high13 Ų1367.1 Ų67.16%0.0632%0.315CS..Hα-helixtrans-58.7-41.4177.5176.5-96.1000112.2Y58 N1059 F1072 W1073 R1074 D1090Y58-H1070 HydrophobicContact CD2-CB 4.3Å; Y58-H1070 HydrophobicContact CE2-CB 3.74Å; Y58-H1070 AromaticContact CZ-CD2 3.85Å; N1059-H1070 PolarHBondContact ND2-ND1 3.27Å; N1059-H1070 WeakPolarHBondContact OD1-CB 3.33Å; H1070-F1072 VanDerWaalsContact C-N 3.31Å; H1070-F1072 PolarHBondContact O-N 2.82Å; H1070-W1073 WeakPolarHBondContact O-CB 3.4Å; H1070-W1073 PolarHBondContact O-N 2.81Å; H1070-W1073 VanDerWaalsContact O-N 3.15Å; H1070-R1074 WeakPolarHBondContact NE2-CG 3.28Å; H1070-R1074 PolarHBondContact O-N 3.16Å; H1070-D1090 IonicContact CD2-OD2 3.49Å; H1070-D1090 IonicContact CE1-OD2 3.67Å; H1070-D1090 IonicContact NE2-OD2 2.86Å; H1070-D1090 PolarHBondContact NE2-OD2 2.73Å
1071S95.1Very high91.9Very high81 Ų8161.5 Ų61.557%0.56629%0.29SS*.Hα-helixtrans-63.4-36.4177.857.20000112.6E1069 S1075E1069-S1071 VanDerWaalsContact C-N 3.29Å; E1069-S1071 PolarHBondContact O-N 2.79Å; S1071-S1075 VanDerWaalsContact O-CB 3.31Å; S1071-S1075 WeakPolarHBondContact O-CB 3.46Å; S1071-S1075 PolarHBondContact O-N 3.49Å; S1071-S1075 VanDerWaalsContact O-N 3.1Å
1072F95.4Very high92Very high71 Ų7164.9 Ų64.931%0.31131%0.311SS..Hα-helixtrans-67-45172.5173.1-90.4000110.7K83 N85 I1068 E1069 H1070 S1075K83-F1072 HydrophobicContact CB-CE1 4.15Å; K83-F1072 HydrophobicContact CB-CZ 4.16Å; K83-F1072 HydrophobicContact CD-CE1 4.02Å; K83-F1072 HydrophobicContact CD-CZ 4.16Å; N85-F1072 WeakPolarHBondContact ND2-CE1 3.42Å; I1068-F1072 HydrophobicContact CG2-CD1 3.76Å; I1068-F1072 HydrophobicContact CG2-CE1 4.38Å; E1069-F1072 HydrophobicContact CB-CB 4.08Å; E1069-F1072 WeakPolarHBondContact O-CB 3.46Å; E1069-F1072 PolarHBondContact O-N 3.24Å; H1070-F1072 VanDerWaalsContact C-N 3.31Å; H1070-F1072 PolarHBondContact O-N 2.82Å; F1072-S1075 PolarHBondContact O-N 3.01Å; F1072-S1075 PolarHBondContact O-OG 3.04Å
1073W94.9Very high92.4Very high9 Ų966 Ų663%0.03432%0.315CS..Hα-helixtrans-61-52.5-179.2170-127.9000112.6T37 Y58 G59 H999 G1001 E1069 H1070 S1075T37-W1073 HydrophobicContact CG2-CH2 3.9Å; T37-W1073 HydrophobicContact CG2-CZ2 3.94Å; Y58-W1073 AromaticContact CD1-CD1 3.66Å; Y58-W1073 HydrophobicContact CD1-CG 4.32Å; Y58-W1073 HydrophobicContact CD2-CB 4.47Å; Y58-W1073 HydrophobicContact CG-CB 4.15Å; Y58-W1073 AromaticContact CG-CD1 3.77Å; Y58-W1073 HydrophobicContact CG-CG 4.01Å; G59-W1073 VanDerWaalsContact CA-CZ3 3.45Å; H999-W1073 WeakPolarHBondContact CB-O 3.28Å; H999-W1073 AromaticContact CD2-CE3 3.92Å; H999-W1073 AromaticContact CD2-CZ3 3.68Å; H999-W1073 PolarHBondContact CD2-O 3.13Å; H999-W1073 AromaticContact NE2-CZ3 3.7Å; G1001-W1073 VanDerWaalsContact CA-CH2 3.48Å; E1069-W1073 PolarHBondContact O-N 2.74Å; H1070-W1073 WeakPolarHBondContact O-CB 3.4Å; H1070-W1073 PolarHBondContact O-N 2.81Å; H1070-W1073 VanDerWaalsContact O-N 3.15Å; W1073-S1075 VanDerWaalsContact C-N 3.29Å; W1073-S1075 PolarHBondContact O-N 3.1Å
1074R96.9Very high92.9Very high13 Ų1361.4 Ų61.45%0.04931%0.305CS..Hα-helixtrans-79.3-8-177.7-61.6-51.7-167.8-178.15114.1F998 H999 L1000 H1070 F1076 A1085 D1090 D1092F998-R1074 HydrophobicContact CD2-CB 4.3Å; F998-R1074 HydrophobicContact CE2-CB 4.06Å; F998-R1074 HydrophobicContact CE2-CG 3.81Å; F998-R1074 HydrophobicContact CZ-CG 4.15Å; F998-R1074 VanDerWaalsContact CZ-CZ 3.5Å; F998-R1074 VanDerWaalsContact CZ-NE 3.32Å; H999-R1074 PolarHBondContact N-O 2.95Å; H999-R1074 WeakPolarHBondContact O-CD 3.49Å; H999-R1074 PolarHBondContact O-NH1 2.8Å; H999-R1074 VanDerWaalsContact O-NH1 3.14Å; L1000-R1074 PolarHBondContact O-NH1 2.66Å; H1070-R1074 WeakPolarHBondContact NE2-CG 3.28Å; H1070-R1074 PolarHBondContact O-N 3.16Å; R1074-F1076 PolarHBondContact O-N 3.37Å; R1074-A1085 HydrophobicContact CB-CB 4Å; R1074-A1085 WeakPolarHBondContact O-CB 3.31Å; R1074-D1090 IonicContact CZ-OD1 3.34Å; R1074-D1090 IonicContact CZ-OD2 3.82Å; R1074-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1074-D1090 IonicContact NE-OD2 3.47Å; R1074-D1090 PolarHBondContact NE-OD2 2.68Å; R1074-D1090 IonicContact NH2-OD1 3.26Å; R1074-D1090 PolarHBondContact NH2-OD1 2.81Å; R1074-D1090 VanDerWaalsContact NH2-OD1 3.12Å; R1074-D1090 IonicContact NH2-OD2 3.74Å; R1074-D1090 PolarHBondContact NH2-OD2 2.82Å; R1074-D1092 IonicContact NH2-OD2 3.7Å
1075S97.1Very high93.3Very high11 Ų1162.1 Ų62.18%0.07731%0.312CS..SBendtrans-57.2125.517565.70000111.1H999 S1071 F1072 W1073 H1077 E1083H999-S1075 WeakPolarHBondContact CB-O 3.33Å; S1071-S1075 VanDerWaalsContact O-CB 3.31Å; S1071-S1075 WeakPolarHBondContact O-CB 3.46Å; S1071-S1075 PolarHBondContact O-N 3.49Å; S1071-S1075 VanDerWaalsContact O-N 3.1Å; F1072-S1075 PolarHBondContact O-N 3.01Å; F1072-S1075 PolarHBondContact O-OG 3.04Å; W1073-S1075 VanDerWaalsContact C-N 3.29Å; W1073-S1075 PolarHBondContact O-N 3.1Å; S1075-H1077 PolarHBondContact O-N 2.82Å; S1075-E1083 CarbonylContact C-O 3.55Å; S1075-E1083 WeakPolarHBondContact CA-O 3.34Å; S1075-E1083 WeakPolarHBondContact CB-O 3.37Å
1076F95.7Very high93.6Very high0 Ų063.5 Ų63.50%032%0.321CS..EExtended strand (participates in β ladder)trans-59.4123.2174.6-180-84.7000108.4N973 F975 L997 R1074 T1078 K1081 T1082 E1083N973-F1076 HydrophobicContact CB-CD2 3.51Å; N973-F1076 HydrophobicContact CB-CE2 3.44Å; N973-F1076 VanDerWaalsContact CB-CE2 3.44Å; N973-F1076 HydrophobicContact CB-CG 4.49Å; N973-F1076 HydrophobicContact CB-CZ 4.38Å; F975-F1076 HydrophobicContact CB-CE2 4.3Å; L997-F1076 HydrophobicContact CB-CB 3.84Å; L997-F1076 HydrophobicContact CB-CD2 4.08Å; L997-F1076 HydrophobicContact CB-CG 4.11Å; L997-F1076 HydrophobicContact CD2-CD1 4.48Å; L997-F1076 HydrophobicContact CD2-CD2 3.8Å; L997-F1076 HydrophobicContact CD2-CE2 3.97Å; L997-F1076 HydrophobicContact CD2-CG 4.08Å; L997-F1076 HydrophobicContact CD2-CZ 4.39Å; L997-F1076 HydrophobicContact CG-CD2 4.49Å; L997-F1076 HydrophobicContact CG-CG 4.5Å; R1074-F1076 PolarHBondContact O-N 3.37Å; F1076-T1078 HydrophobicContact CD1-CG2 4.39Å; F1076-T1078 HydrophobicContact CE1-CG2 3.5Å; F1076-T1078 HydrophobicContact CZ-CG2 3.81Å; F1076-K1081 HydrophobicContact CE1-CG 4.48Å; F1076-T1082 CarbonylContact O-C 3.6Å; F1076-T1082 VanDerWaalsContact O-CA 3.27Å; F1076-T1082 WeakPolarHBondContact O-CA 3.37Å; F1076-E1083 PolarHBondContact N-O 2.84Å; F1076-E1083 PolarHBondContact O-N 3.41Å
1077H93.3Very high93.7Very high70 Ų7063.3 Ų63.332%0.32432%0.319SS..EExtended strand (participates in β ladder)trans-135.5123.3-172-179.476.8000110.7A971 N973 S1075 T1082A971-H1077 WeakPolarHBondContact CB-O 3.3Å; N973-H1077 PolarHBondContact ND2-O 2.67Å; N973-H1077 PolarHBondContact OD1-N 3.39Å; S1075-H1077 PolarHBondContact O-N 2.82Å; H1077-T1082 PolarHBondContact ND1-OG1 2.86Å
1078T90.9Very high94Very high18 Ų1858.4 Ų58.411%0.1130%0.298CS..  trans-128.4170.3170.661.30000108.5F1076 R1080 K1081F1076-T1078 HydrophobicContact CD1-CG2 4.39Å; F1076-T1078 HydrophobicContact CE1-CG2 3.5Å; F1076-T1078 HydrophobicContact CZ-CG2 3.81Å; T1078-R1080 PolarHBondContact O-N 2.74Å; T1078-R1080 VanDerWaalsContact O-N 3.1Å; T1078-R1080 PolarHBondContact OG1-N 3.41Å; T1078-K1081 PolarHBondContact N-O 2.81Å; T1078-K1081 PolarHBondContact OG1-N 3.08Å; T1078-K1081 PolarHBondContact OG1-O 3.06Å; T1078-K1081 VanDerWaalsContact OG1-O 3.07Å
1079E82.7Confident94.1Very high205 Ų20558.1 Ų58.196%0.95830%0.296SS*.SBendtrans-58.4-23.6172.6-62-173.5164.700113.1
1080R85.2Confident94.2Very high201 Ų20152 Ų5276%0.75827%0.268SS*.SBendtrans-93.6-41.4-175-70.5179.9149.6-142.4-0.9113.6P951 T1078P951-R1080 VanDerWaalsContact CG-CZ 3.45Å; T1078-R1080 PolarHBondContact O-N 2.74Å; T1078-R1080 VanDerWaalsContact O-N 3.1Å; T1078-R1080 PolarHBondContact OG1-N 3.41Å
1081K91Very high94.2Very high52 Ų5251.4 Ų51.423%0.22627%0.265CS..  trans-145.8150.1-171.667179.3-173.1165.40111.8E994 F1076 T1078 E1083E994-K1081 IonicContact OE1-NZ 3.56Å; E994-K1081 IonicContact OE2-NZ 3.04Å; E994-K1081 PolarHBondContact OE2-NZ 3.33Å; F1076-K1081 HydrophobicContact CE1-CG 4.48Å; T1078-K1081 PolarHBondContact N-O 2.81Å; T1078-K1081 PolarHBondContact OG1-N 3.08Å; T1078-K1081 PolarHBondContact OG1-O 3.06Å; T1078-K1081 VanDerWaalsContact OG1-O 3.07Å; K1081-E1083 HydrophobicContact CD-CG 4.4Å; K1081-E1083 WeakPolarHBondContact CD-OE2 3.3Å; K1081-E1083 WeakPolarHBondContact CE-OE2 3.21Å; K1081-E1083 IonicContact NZ-OE2 2.83Å; K1081-E1083 PolarHBondContact NZ-OE2 2.71Å
1082T93.5Very high94.1Very high86 Ų8649.7 Ų49.753%0.52825%0.249SC..EExtended strand (participates in β ladder)trans-124.1125.7167.1-57.60000108.1F1076 H1077F1076-T1082 CarbonylContact O-C 3.6Å; F1076-T1082 VanDerWaalsContact O-CA 3.27Å; F1076-T1082 WeakPolarHBondContact O-CA 3.37Å; H1077-T1082 PolarHBondContact ND1-OG1 2.86Å
1083E95.9Very high94.1Very high69 Ų6946.5 Ų46.532%0.32224%0.235SC..EExtended strand (participates in β ladder)trans-130.8149-177.8-67.8-167.690.600110.5L997 S1075 F1076 K1081L997-E1083 HydrophobicContact CD1-CB 3.98Å; S1075-E1083 CarbonylContact C-O 3.55Å; S1075-E1083 WeakPolarHBondContact CA-O 3.34Å; S1075-E1083 WeakPolarHBondContact CB-O 3.37Å; F1076-E1083 PolarHBondContact N-O 2.84Å; F1076-E1083 PolarHBondContact O-N 3.41Å; K1081-E1083 HydrophobicContact CD-CG 4.4Å; K1081-E1083 WeakPolarHBondContact CD-OE2 3.3Å; K1081-E1083 WeakPolarHBondContact CE-OE2 3.21Å; K1081-E1083 IonicContact NZ-OE2 2.83Å; K1081-E1083 PolarHBondContact NZ-OE2 2.71Å
1084P96.5Very high94.1Very high92 Ų9246.1 Ų46.160%0.59723%0.234SC*.  trans-62.9150.9176.128.1-34.8000111T1086P1084-T1086 PolarHBondContact O-N 2.76Å
1085A96.2Very high93.7Very high41 Ų4147.1 Ų47.134%0.33924%0.239SC..  trans-62.9134.7173.300000110.9L997 F998 R1074L997-A1085 CarbonylContact O-C 3.57Å; L997-A1085 WeakPolarHBondContact O-CA 3.02Å; F998-A1085 HydrophobicContact CD2-CB 4.41Å; R1074-A1085 HydrophobicContact CB-CB 4Å; R1074-A1085 WeakPolarHBondContact O-CB 3.31Å
1086T96Very high93.3Very high52 Ų5247.7 Ų47.732%0.31924%0.243SC..BIsolated β-bridgetrans-144.7152.7179.959.20000110.4G996 L997 P1084 F1088G996-T1086 CarbonylContact C-O 3.55Å; G996-T1086 VanDerWaalsContact CA-O 3.24Å; G996-T1086 WeakPolarHBondContact CA-O 3.11Å; L997-T1086 PolarHBondContact N-O 3.17Å; L997-T1086 PolarHBondContact O-N 3.44Å; P1084-T1086 PolarHBondContact O-N 2.76Å; T1086-F1088 WeakPolarHBondContact O-CD2 3.36Å; T1086-F1088 PolarHBondContact O-N 3.02Å; T1086-F1088 VanDerWaalsContact O-N 3.1Å
1087G96.2Very high93Very high0 Ų047.7 Ų47.70%024%0.243CC..SBendtrans70.91.8174.200000116.2S2 N4 Y1048S2-G1087 WeakPolarHBondContact O-CA 3.35Å; N4-G1087 WeakPolarHBondContact CB-O 3.47Å; N4-G1087 PolarHBondContact N-O 2.66Å; N4-G1087 PolarHBondContact ND2-O 3.19Å; Y1048-G1087 WeakPolarHBondContact OH-CA 3.33Å; Y1048-G1087 PolarHBondContact OH-N 3.39Å
1088F97.3Very high92.4Very high7 Ų746 Ų463%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-129.7137.4178.9-73.7-87.4000111.7N4 V6 L966 L974 V976 F998 V1040 T1086N4-F1088 HydrophobicContact CB-CD1 3.6Å; N4-F1088 HydrophobicContact CB-CE1 3.73Å; N4-F1088 HydrophobicContact CB-CG 4.26Å; N4-F1088 HydrophobicContact CB-CZ 4.49Å; N4-F1088 CarbonylContact O-C 3.43Å; N4-F1088 WeakPolarHBondContact O-CA 3.19Å; V6-F1088 HydrophobicContact CB-CD1 4.2Å; V6-F1088 HydrophobicContact CG1-CB 4.41Å; V6-F1088 HydrophobicContact CG1-CD1 4.05Å; L966-F1088 HydrophobicContact CD1-CZ 4.07Å; L974-F1088 HydrophobicContact CB-CZ 4.15Å; V976-F1088 HydrophobicContact CG2-CE1 4.47Å; V976-F1088 HydrophobicContact CG2-CE2 3.93Å; V976-F1088 HydrophobicContact CG2-CZ 3.56Å; F998-F1088 HydrophobicContact CB-CB 3.98Å; F998-F1088 HydrophobicContact CB-CD1 4.5Å; F998-F1088 HydrophobicContact CB-CD2 3.49Å; F998-F1088 VanDerWaalsContact CB-CD2 3.49Å; F998-F1088 HydrophobicContact CB-CE2 4.01Å; F998-F1088 HydrophobicContact CB-CG 3.76Å; F998-F1088 HydrophobicContact CD2-CB 3.71Å; F998-F1088 HydrophobicContact CD2-CG 4.37Å; F998-F1088 HydrophobicContact CE2-CB 4.39Å; F998-F1088 HydrophobicContact CG-CB 4.01Å; F998-F1088 HydrophobicContact CG-CD2 4.38Å; F998-F1088 HydrophobicContact CG-CG 4.16Å; V1040-F1088 HydrophobicContact CG1-CE1 4.23Å; T1086-F1088 WeakPolarHBondContact O-CD2 3.36Å; T1086-F1088 PolarHBondContact O-N 3.02Å; T1086-F1088 VanDerWaalsContact O-N 3.1Å
1089I97.3Very high91.9Very high0 Ų050.4 Ų50.40%026%0.259CS..EExtended strand (participates in β ladder)trans-99129.8166-58.1-56.6000108.9N4 Y5 V6 L1043 Y1048 L1051 L1052 G1091 I1094N4-I1089 PolarHBondContact O-N 3.38Å; Y5-I1089 HydrophobicContact CD2-CB 3.89Å; Y5-I1089 HydrophobicContact CD2-CG2 3.72Å; Y5-I1089 HydrophobicContact CE2-CG2 3.99Å; V6-I1089 WeakPolarHBondContact CG1-O 3.42Å; V6-I1089 PolarHBondContact N-O 3.33Å; L1043-I1089 HydrophobicContact CD1-CG1 4.12Å; Y1048-I1089 HydrophobicContact CD2-CD1 3.89Å; Y1048-I1089 HydrophobicContact CD2-CG1 3.64Å; Y1048-I1089 HydrophobicContact CE2-CD1 3.71Å; Y1048-I1089 HydrophobicContact CE2-CG1 3.75Å; Y1048-I1089 HydrophobicContact CG-CD1 4.43Å; Y1048-I1089 HydrophobicContact CG-CG1 4.45Å; L1051-I1089 HydrophobicContact CB-CD1 4.32Å; L1051-I1089 HydrophobicContact CB-CG1 4.15Å; L1051-I1089 HydrophobicContact CB-CG2 3.89Å; L1051-I1089 HydrophobicContact CD1-CG2 4.45Å; L1052-I1089 HydrophobicContact CB-CD1 3.81Å; L1052-I1089 HydrophobicContact CD1-CD1 4.17Å; I1089-G1091 PolarHBondContact O-N 2.67Å; I1089-I1094 HydrophobicContact CG2-CD1 4.24Å; I1089-I1094 HydrophobicContact CG2-CG1 3.75Å
1090D97Very high91.9Very high2 Ų241.7 Ų41.71%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-79.495.1176.4-171.4-9.9000110.5F998 H1070 R1074 D1092 L1093 I1094F998-D1090 HydrophobicContact CE2-CB 4.2Å; F998-D1090 HydrophobicContact CZ-CB 4.27Å; H1070-D1090 IonicContact CD2-OD2 3.49Å; H1070-D1090 IonicContact CE1-OD2 3.67Å; H1070-D1090 IonicContact NE2-OD2 2.86Å; H1070-D1090 PolarHBondContact NE2-OD2 2.73Å; R1074-D1090 IonicContact CZ-OD1 3.34Å; R1074-D1090 IonicContact CZ-OD2 3.82Å; R1074-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1074-D1090 IonicContact NE-OD2 3.47Å; R1074-D1090 PolarHBondContact NE-OD2 2.68Å; R1074-D1090 IonicContact NH2-OD1 3.26Å; R1074-D1090 PolarHBondContact NH2-OD1 2.81Å; R1074-D1090 VanDerWaalsContact NH2-OD1 3.12Å; R1074-D1090 IonicContact NH2-OD2 3.74Å; R1074-D1090 PolarHBondContact NH2-OD2 2.82Å; D1090-D1092 VanDerWaalsContact C-N 3.3Å; D1090-D1092 PolarHBondContact O-N 3.02Å; D1090-D1092 PolarHBondContact OD1-N 2.69Å; D1090-L1093 HydrophobicContact CB-CB 4.15Å; D1090-L1093 PolarHBondContact O-N 3.18Å; D1090-I1094 WeakPolarHBondContact O-CG1 3.43Å; D1090-I1094 PolarHBondContact O-N 2.62Å; D1090-I1094 VanDerWaalsContact O-N 3.09Å
1091G94.9Very high91.8Very high0 Ų035.2 Ų35.20%021%0.205CC..Hα-helixtrans-61.3-35-178.300000113.8Y5 V6 I1089 L1093 I1094 E1095Y5-G1091 VanDerWaalsContact CE2-CA 3.42Å; Y5-G1091 WeakPolarHBondContact OH-CA 3.44Å; V6-G1091 VanDerWaalsContact O-CA 3.31Å; V6-G1091 WeakPolarHBondContact O-CA 3.42Å; V6-G1091 PolarHBondContact O-N 3.06Å; I1089-G1091 PolarHBondContact O-N 2.67Å; G1091-L1093 VanDerWaalsContact C-N 3.27Å; G1091-L1093 PolarHBondContact O-N 3.38Å; G1091-I1094 WeakPolarHBondContact O-CB 3.48Å; G1091-I1094 PolarHBondContact O-N 2.9Å; G1091-I1094 VanDerWaalsContact O-N 3.12Å; G1091-E1095 WeakPolarHBondContact O-CG 3.34Å; G1091-E1095 PolarHBondContact O-N 3.14Å
1092D92.9Very high91.4Very high44 Ų4439 Ų3924%0.23522%0.218CC..Hα-helixtrans-61.5-39.4177.3-58.8-29.3000111.1T8 R1074 D1090 S1096T8-D1092 WeakPolarHBondContact CB-OD1 3.25Å; T8-D1092 PolarHBondContact N-OD1 3.2Å; T8-D1092 PolarHBondContact OG1-OD1 2.56Å; T8-D1092 PolarHBondContact OG1-OD2 3.34Å; R1074-D1092 IonicContact NH2-OD2 3.7Å; D1090-D1092 VanDerWaalsContact C-N 3.3Å; D1090-D1092 PolarHBondContact O-N 3.02Å; D1090-D1092 PolarHBondContact OD1-N 2.69Å; D1092-S1096 PolarHBondContact O-N 2.8Å
1093L94.5Very high91.1Very high5 Ų539.3 Ų39.33%0.02622%0.221CC..Hα-helixtrans-70.2-41.4175.1177.259.3000111.2Q1055 L1058 N1059 I1062 D1090 G1091 E1095 S1096Q1055-L1093 HydrophobicContact CG-CD2 3.56Å; Q1055-L1093 HydrophobicContact CG-CG 4.42Å; L1058-L1093 HydrophobicContact CB-CD1 4.06Å; L1058-L1093 HydrophobicContact CB-CG 4.24Å; L1058-L1093 WeakPolarHBondContact CD1-O 3.19Å; N1059-L1093 WeakPolarHBondContact OD1-CD2 3.39Å; I1062-L1093 HydrophobicContact CD1-CD1 4.31Å; D1090-L1093 HydrophobicContact CB-CB 4.15Å; D1090-L1093 PolarHBondContact O-N 3.18Å; G1091-L1093 VanDerWaalsContact C-N 3.27Å; G1091-L1093 PolarHBondContact O-N 3.38Å; L1093-E1095 VanDerWaalsContact C-N 3.3Å; L1093-E1095 PolarHBondContact O-N 2.86Å; L1093-S1096 WeakPolarHBondContact O-CB 3.49Å; L1093-S1096 PolarHBondContact O-N 2.73Å; L1093-S1096 PolarHBondContact O-OG 3.2Å
1094I94.3Very high90.8Very high0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-58.4-44.2175.7-64.6-58.8000110.9Y5 L1051 M1054 Q1055 L1058 I1089 D1090 G1091 S1096 F1097 V1133 L1136Y5-I1094 HydrophobicContact CE2-CB 4.5Å; Y5-I1094 HydrophobicContact CE2-CG1 4.34Å; L1051-I1094 HydrophobicContact CD2-CD1 4.44Å; L1051-I1094 HydrophobicContact CD2-CG2 4.29Å; M1054-I1094 HydrophobicContact CB-CD1 4.27Å; M1054-I1094 HydrophobicContact CE-CG2 4.26Å; M1054-I1094 HydrophobicContact CG-CD1 4.02Å; M1054-I1094 HydrophobicContact SD-CD1 4.24Å; M1054-I1094 HydrophobicContact SD-CG2 4.39Å; Q1055-I1094 HydrophobicContact CB-CD1 4.09Å; L1058-I1094 HydrophobicContact CD1-CD1 4.18Å; I1089-I1094 HydrophobicContact CG2-CD1 4.24Å; I1089-I1094 HydrophobicContact CG2-CG1 3.75Å; D1090-I1094 WeakPolarHBondContact O-CG1 3.43Å; D1090-I1094 PolarHBondContact O-N 2.62Å; D1090-I1094 VanDerWaalsContact O-N 3.09Å; G1091-I1094 WeakPolarHBondContact O-CB 3.48Å; G1091-I1094 PolarHBondContact O-N 2.9Å; G1091-I1094 VanDerWaalsContact O-N 3.12Å; I1094-S1096 VanDerWaalsContact C-N 3.29Å; I1094-S1096 PolarHBondContact O-N 2.76Å; I1094-F1097 WeakPolarHBondContact O-CB 3.43Å; I1094-F1097 PolarHBondContact O-N 2.84Å; I1094-F1097 VanDerWaalsContact O-N 3.17Å; I1094-V1133 HydrophobicContact CG2-CG1 4.32Å; I1094-V1133 HydrophobicContact CG2-CG2 3.79Å; I1094-L1136 HydrophobicContact CG2-CD1 4.18Å
1095E89.8Confident90.5Very high34 Ų3436.4 Ų36.416%0.15920%0.198CC..Hα-helixtrans-63.3-33178.6-72-165.6177.200113.5G1091 L1093 F1097 L1098 V1133 T1137 H1140G1091-E1095 WeakPolarHBondContact O-CG 3.34Å; G1091-E1095 PolarHBondContact O-N 3.14Å; L1093-E1095 VanDerWaalsContact C-N 3.3Å; L1093-E1095 PolarHBondContact O-N 2.86Å; E1095-F1097 PolarHBondContact O-N 3.02Å; E1095-L1098 WeakPolarHBondContact O-CB 3.46Å; E1095-L1098 PolarHBondContact O-N 3.32Å; E1095-V1133 HydrophobicContact CG-CG1 4.39Å; E1095-T1137 VanDerWaalsContact CD-CG2 3.49Å; E1095-T1137 HydrophobicContact CG-CG2 3.68Å; E1095-T1137 VanDerWaalsContact OE1-CG2 3.23Å; E1095-T1137 WeakPolarHBondContact OE1-CG2 3.4Å; E1095-H1140 IonicContact OE1-CD2 3.65Å; E1095-H1140 IonicContact OE1-CE1 3.8Å; E1095-H1140 PolarHBondContact OE1-CE1 2.86Å; E1095-H1140 VanDerWaalsContact OE1-CE1 3.24Å; E1095-H1140 IonicContact OE1-NE2 3.86Å; E1095-H1140 PolarHBondContact OE1-NE2 3.48Å
1096S87.7Confident90.3Very high23 Ų2340.5 Ų40.516%0.16121%0.21CC..G310 helixtrans-59.9-15.5176.978.30000113.7I1062 D1092 L1093 I1094 L1098 D1099 I1100I1062-S1096 WeakPolarHBondContact CD1-OG 3.36Å; D1092-S1096 PolarHBondContact O-N 2.8Å; L1093-S1096 WeakPolarHBondContact O-CB 3.49Å; L1093-S1096 PolarHBondContact O-N 2.73Å; L1093-S1096 PolarHBondContact O-OG 3.2Å; I1094-S1096 VanDerWaalsContact C-N 3.29Å; I1094-S1096 PolarHBondContact O-N 2.76Å; S1096-L1098 PolarHBondContact O-N 2.84Å; S1096-D1099 PolarHBondContact O-N 2.69Å; S1096-D1099 VanDerWaalsContact O-N 3.09Å; S1096-I1100 PolarHBondContact O-N 3.42Å
1097F89.2Confident90.1Very high0 Ų043.8 Ų43.80%022%0.222CC..G310 helixtrans-57.2-31.2168.8-177.7-107.4000112.4M1054 L1058 I1094 E1095 D1099 I1100 M1105 V1108 V1109 L1129 I1130 V1133M1054-F1097 HydrophobicContact CE-CB 3.44Å; M1054-F1097 VanDerWaalsContact CE-CB 3.44Å; M1054-F1097 HydrophobicContact CE-CD1 3.76Å; M1054-F1097 HydrophobicContact CE-CD2 3.89Å; M1054-F1097 HydrophobicContact CE-CE1 4.47Å; M1054-F1097 HydrophobicContact CE-CG 3.42Å; M1054-F1097 VanDerWaalsContact CE-CG 3.42Å; L1058-F1097 HydrophobicContact CD1-CB 4.31Å; L1058-F1097 HydrophobicContact CD2-CB 3.97Å; L1058-F1097 HydrophobicContact CD2-CD2 4.01Å; L1058-F1097 HydrophobicContact CD2-CG 4.49Å; I1094-F1097 WeakPolarHBondContact O-CB 3.43Å; I1094-F1097 PolarHBondContact O-N 2.84Å; I1094-F1097 VanDerWaalsContact O-N 3.17Å; E1095-F1097 PolarHBondContact O-N 3.02Å; F1097-D1099 VanDerWaalsContact C-N 3.28Å; F1097-D1099 PolarHBondContact O-N 2.81Å; F1097-I1100 HydrophobicContact CD2-CD1 3.87Å; F1097-I1100 HydrophobicContact CD2-CG1 4.44Å; F1097-I1100 HydrophobicContact CE2-CD1 4.33Å; F1097-I1100 WeakPolarHBondContact O-CG1 3.3Å; F1097-M1105 HydrophobicContact CD2-CG 4.38Å; F1097-M1105 HydrophobicContact CE2-CB 3.78Å; F1097-M1105 HydrophobicContact CE2-CG 3.85Å; F1097-M1105 HydrophobicContact CZ-CB 3.83Å; F1097-M1105 HydrophobicContact CZ-CG 3.91Å; F1097-M1105 WeakPolarHBondContact O-CE 3.44Å; F1097-V1108 HydrophobicContact CD2-CB 4.36Å; F1097-V1108 HydrophobicContact CD2-CG1 4.11Å; F1097-V1108 HydrophobicContact CE2-CB 4.01Å; F1097-V1108 HydrophobicContact CE2-CG1 3.98Å; F1097-V1109 HydrophobicContact CE2-CG2 4.32Å; F1097-V1109 HydrophobicContact CZ-CG2 4.07Å; F1097-L1129 HydrophobicContact CD1-CB 4.29Å; F1097-L1129 HydrophobicContact CE1-CB 3.5Å; F1097-L1129 HydrophobicContact CE2-CD1 4.29Å; F1097-L1129 HydrophobicContact CZ-CB 3.72Å; F1097-L1129 HydrophobicContact CZ-CD1 4.04Å; F1097-I1130 HydrophobicContact CD1-CG1 4.49Å; F1097-I1130 HydrophobicContact CE1-CG1 3.82Å; F1097-V1133 HydrophobicContact CB-CG2 4.42Å; F1097-V1133 HydrophobicContact CD1-CG2 4.12Å
1098L81.9Confident89.9Confident35 Ų3543.8 Ų43.818%0.18322%0.222CC..G310 helixtrans-72.9-21.1178.1-61.9-179.8000113.2K665 E1095 S1096 I1130 V1133 E1134 T1137K665-L1098 PolarHBondContact NZ-O 3.1Å; E1095-L1098 WeakPolarHBondContact O-CB 3.46Å; E1095-L1098 PolarHBondContact O-N 3.32Å; S1096-L1098 PolarHBondContact O-N 2.84Å; L1098-I1130 HydrophobicContact CD2-CB 4.48Å; L1098-I1130 HydrophobicContact CD2-CG1 4.38Å; L1098-I1130 HydrophobicContact CD2-CG2 4.14Å; L1098-V1133 HydrophobicContact CD1-CB 4.49Å; L1098-V1133 HydrophobicContact CD1-CG1 3.78Å; L1098-V1133 HydrophobicContact CD2-CB 4.19Å; L1098-V1133 HydrophobicContact CD2-CG1 4.19Å; L1098-V1133 HydrophobicContact CG-CB 4.25Å; L1098-V1133 HydrophobicContact CG-CG1 3.68Å; L1098-E1134 HydrophobicContact CD1-CG 4.38Å; L1098-E1134 HydrophobicContact CD2-CG 4.3Å; L1098-T1137 HydrophobicContact CD1-CG2 4.1Å
1099D80.1Confident89.7Confident110 Ų11043.9 Ų43.959%0.58822%0.223SC*.THydrogen-bonded Turntrans-93.5-13-176.1-64.9-35.1000113.8N663 S1096 F1097N663-D1099 PolarHBondContact ND2-OD1 3.47Å; S1096-D1099 PolarHBondContact O-N 2.69Å; S1096-D1099 VanDerWaalsContact O-N 3.09Å; F1097-D1099 VanDerWaalsContact C-N 3.28Å; F1097-D1099 PolarHBondContact O-N 2.81Å
1100I82.5Confident89.2Confident23 Ų2345.9 Ų45.912%0.11824%0.239CC..SBendtrans-86150.8-179.957.6167000112.5L1058 I1062 S1096 F1097 K1104 M1105 V1108L1058-I1100 HydrophobicContact CD2-CD1 4.28Å; I1062-I1100 HydrophobicContact CD1-CG2 3.95Å; I1062-I1100 HydrophobicContact CG1-CG2 3.96Å; S1096-I1100 PolarHBondContact O-N 3.42Å; F1097-I1100 HydrophobicContact CD2-CD1 3.87Å; F1097-I1100 HydrophobicContact CD2-CG1 4.44Å; F1097-I1100 HydrophobicContact CE2-CD1 4.33Å; F1097-I1100 WeakPolarHBondContact O-CG1 3.3Å; I1100-K1104 HydrophobicContact CB-CB 4.13Å; I1100-K1104 HydrophobicContact CB-CD 4.37Å; I1100-K1104 HydrophobicContact CD1-CB 3.98Å; I1100-K1104 HydrophobicContact CG1-CB 4.45Å; I1100-M1105 HydrophobicContact CD1-CG 3.98Å; I1100-M1105 HydrophobicContact CG1-CG 3.77Å; I1100-M1105 VanDerWaalsContact O-CE 3.29Å; I1100-M1105 WeakPolarHBondContact O-CE 3.33Å; I1100-V1108 HydrophobicContact CD1-CG2 4.07Å
1101S82.6Confident88.6Confident65 Ų6551.8 Ų51.846%0.45527%0.271SS..  trans-61.4148.9176.663.50000112.6P1103 K1104 M1105S1101-P1103 VanDerWaalsContact C-CD 3.45Å; S1101-P1103 VanDerWaalsContact C-N 3.35Å; S1101-P1103 VanDerWaalsContact O-N 3.15Å; S1101-K1104 WeakPolarHBondContact O-CA 3.02Å; S1101-K1104 WeakPolarHBondContact O-CB 3.32Å; S1101-K1104 PolarHBondContact O-N 2.75Å; S1101-M1105 PolarHBondContact O-N 2.83Å
1102R82.2Confident88.3Confident132 Ų13251.8 Ų51.850%0.49827%0.271SS..Hα-helixtrans-48.9-40.4178.1-81.2-159.4179.5-98.97.8115.6K1104 M1105 Q1106 D1127R1102-K1104 VanDerWaalsContact C-N 3.33Å; R1102-K1104 PolarHBondContact O-N 3.37Å; R1102-M1105 HydrophobicContact CG-SD 4.22Å; R1102-M1105 WeakPolarHBondContact O-CB 3.5Å; R1102-M1105 PolarHBondContact O-N 3Å; R1102-Q1106 WeakPolarHBondContact O-CG 3.33Å; R1102-Q1106 PolarHBondContact O-N 3.06Å; R1102-D1127 IonicContact CZ-OD1 3.03Å; R1102-D1127 IonicContact NH1-OD1 2.64Å; R1102-D1127 PolarHBondContact NH1-OD1 3.33Å; R1102-D1127 IonicContact NH2-OD1 2.83Å; R1102-D1127 PolarHBondContact NH2-OD1 3.22Å
1103P87.8Confident87.8Confident91 Ų9155.4 Ų55.459%0.59129%0.286SS*.Hα-helixtrans-60.4-40.3175.3-26.135.8000113.2S1101 Q1106 E1107S1101-P1103 VanDerWaalsContact C-CD 3.45Å; S1101-P1103 VanDerWaalsContact C-N 3.35Å; S1101-P1103 VanDerWaalsContact O-N 3.15Å; P1103-Q1106 PolarHBondContact O-N 2.82Å; P1103-E1107 PolarHBondContact O-N 3.07Å; P1103-E1107 VanDerWaalsContact O-N 3.1Å
1104K89.3Confident87Confident96 Ų9656.6 Ų56.642%0.41729%0.291SS..Hα-helixtrans-68.6-37.1174.1-70.9-177.8179.2178.40111.7V1061 I1100 S1101 R1102 Q1106 E1107 V1108V1061-K1104 HydrophobicContact CG1-CB 3.72Å; V1061-K1104 HydrophobicContact CG1-CD 4.12Å; V1061-K1104 HydrophobicContact CG1-CG 3.93Å; I1100-K1104 HydrophobicContact CB-CB 4.13Å; I1100-K1104 HydrophobicContact CB-CD 4.37Å; I1100-K1104 HydrophobicContact CD1-CB 3.98Å; I1100-K1104 HydrophobicContact CG1-CB 4.45Å; S1101-K1104 WeakPolarHBondContact O-CA 3.02Å; S1101-K1104 WeakPolarHBondContact O-CB 3.32Å; S1101-K1104 PolarHBondContact O-N 2.75Å; R1102-K1104 VanDerWaalsContact C-N 3.33Å; R1102-K1104 PolarHBondContact O-N 3.37Å; K1104-Q1106 VanDerWaalsContact C-N 3.31Å; K1104-Q1106 PolarHBondContact O-N 3.01Å; K1104-E1107 WeakPolarHBondContact O-CB 3.47Å; K1104-E1107 PolarHBondContact O-N 2.59Å; K1104-V1108 WeakPolarHBondContact O-CG2 3.44Å; K1104-V1108 PolarHBondContact O-N 3.08Å
1105M91.2Very high86.1Confident4 Ų460 Ų602%0.0231%0.309CS..Hα-helixtrans-59.5-44.2173.2-66.3172.6163.800111.1F1097 I1100 S1101 R1102 E1107 V1108 V1109 A1126 I1130F1097-M1105 HydrophobicContact CD2-CG 4.38Å; F1097-M1105 HydrophobicContact CE2-CB 3.78Å; F1097-M1105 HydrophobicContact CE2-CG 3.85Å; F1097-M1105 HydrophobicContact CZ-CB 3.83Å; F1097-M1105 HydrophobicContact CZ-CG 3.91Å; F1097-M1105 WeakPolarHBondContact O-CE 3.44Å; I1100-M1105 HydrophobicContact CD1-CG 3.98Å; I1100-M1105 HydrophobicContact CG1-CG 3.77Å; I1100-M1105 VanDerWaalsContact O-CE 3.29Å; I1100-M1105 WeakPolarHBondContact O-CE 3.33Å; S1101-M1105 PolarHBondContact O-N 2.83Å; R1102-M1105 HydrophobicContact CG-SD 4.22Å; R1102-M1105 WeakPolarHBondContact O-CB 3.5Å; R1102-M1105 PolarHBondContact O-N 3Å; M1105-E1107 VanDerWaalsContact C-N 3.31Å; M1105-E1107 PolarHBondContact O-N 3.36Å; M1105-V1108 PolarHBondContact O-N 3.03Å; M1105-V1109 WeakPolarHBondContact O-CB 3.42Å; M1105-V1109 WeakPolarHBondContact O-CG2 3.23Å; M1105-V1109 PolarHBondContact O-N 2.85Å; M1105-A1126 HydrophobicContact CB-CB 4.17Å; M1105-I1130 HydrophobicContact CE-CD1 4.28Å; M1105-I1130 HydrophobicContact CE-CG1 4.35Å; M1105-I1130 HydrophobicContact SD-CD1 4.02Å; M1105-I1130 HydrophobicContact SD-CG1 4.45Å
1106Q91.6Very high85Confident127 Ų12761.6 Ų61.659%0.59332%0.318SS*.Hα-helixtrans-62.6-37.7176.4-71.5174.8-12.900112.2R1102 P1103 K1104 V1109 A1110R1102-Q1106 WeakPolarHBondContact O-CG 3.33Å; R1102-Q1106 PolarHBondContact O-N 3.06Å; P1103-Q1106 PolarHBondContact O-N 2.82Å; K1104-Q1106 VanDerWaalsContact C-N 3.31Å; K1104-Q1106 PolarHBondContact O-N 3.01Å; Q1106-V1109 PolarHBondContact O-N 3.04Å; Q1106-A1110 PolarHBondContact O-N 2.77Å
1107E92.6Very high84.1Confident121 Ų12163.9 Ų63.957%0.56535%0.346SS*.Hα-helixtrans-61.9-42174-172.2-179.1171.400112.1V1061 P1103 K1104 M1105V1061-E1107 HydrophobicContact CG2-CB 4.27Å; V1061-E1107 HydrophobicContact CG2-CG 3.85Å; P1103-E1107 PolarHBondContact O-N 3.07Å; P1103-E1107 VanDerWaalsContact O-N 3.1Å; K1104-E1107 WeakPolarHBondContact O-CB 3.47Å; K1104-E1107 PolarHBondContact O-N 2.59Å; M1105-E1107 VanDerWaalsContact C-N 3.31Å; M1105-E1107 PolarHBondContact O-N 3.36Å
1108V91.7Very high83.1Confident0 Ų067.7 Ų67.70%037%0.373CS..Hα-helixtrans-64-43.3174.7173.70000110.8R1057 L1058 V1061 F1097 I1100 K1104 M1105R1057-V1108 HydrophobicContact CB-CG1 3.99Å; R1057-V1108 VanDerWaalsContact CD-O 3.3Å; R1057-V1108 WeakPolarHBondContact CD-O 3.39Å; L1058-V1108 HydrophobicContact CD2-CG1 4.42Å; L1058-V1108 HydrophobicContact CD2-CG2 4.01Å; L1058-V1108 HydrophobicContact CG-CG1 4.2Å; L1058-V1108 HydrophobicContact CG-CG2 4.41Å; V1061-V1108 HydrophobicContact CB-CG2 4Å; V1061-V1108 HydrophobicContact CG1-CG2 4.23Å; V1061-V1108 HydrophobicContact CG2-CG2 3.72Å; F1097-V1108 HydrophobicContact CD2-CB 4.36Å; F1097-V1108 HydrophobicContact CD2-CG1 4.11Å; F1097-V1108 HydrophobicContact CE2-CB 4.01Å; F1097-V1108 HydrophobicContact CE2-CG1 3.98Å; I1100-V1108 HydrophobicContact CD1-CG2 4.07Å; K1104-V1108 WeakPolarHBondContact O-CG2 3.44Å; K1104-V1108 PolarHBondContact O-N 3.08Å; M1105-V1108 PolarHBondContact O-N 3.03Å
1109V91.8Very high82.5Confident9 Ų968.9 Ų68.96%0.05539%0.393CS..Hα-helixtrans-74.6-25.9-173.9172.50000113.1F1097 M1105 Q1106 N1111 L1112 A1124 A1126 L1129F1097-V1109 HydrophobicContact CE2-CG2 4.32Å; F1097-V1109 HydrophobicContact CZ-CG2 4.07Å; M1105-V1109 WeakPolarHBondContact O-CB 3.42Å; M1105-V1109 WeakPolarHBondContact O-CG2 3.23Å; M1105-V1109 PolarHBondContact O-N 2.85Å; Q1106-V1109 PolarHBondContact O-N 3.04Å; V1109-N1111 PolarHBondContact O-N 2.83Å; V1109-L1112 WeakPolarHBondContact O-CB 3.21Å; V1109-L1112 PolarHBondContact O-N 3.2Å; V1109-A1124 HydrophobicContact CG1-CB 4.19Å; V1109-A1124 WeakPolarHBondContact CG1-O 3.45Å; V1109-A1126 HydrophobicContact CG2-CB 4.16Å; V1109-L1129 HydrophobicContact CG2-CD1 3.57Å; V1109-L1129 HydrophobicContact CG2-CG 4.18Å
1110A88.7Confident82.2Confident42 Ų4270.7 Ų70.735%0.34740%0.4SS..THydrogen-bonded Turntrans-52.8121.9-17200000113.2R1057 Q1106 L1112R1057-A1110 PolarHBondContact NH1-O 3.39Å; Q1106-A1110 PolarHBondContact O-N 2.77Å; A1110-L1112 PolarHBondContact O-N 3.12Å
1111N83.5Confident82Confident126 Ų12676.6 Ų76.667%0.67443%0.425SS*.THydrogen-bonded Turntrans62.119.7-176.5-41.7-81.2000115.1R1057 V1109 E1123R1057-N1111 PolarHBondContact NH2-O 2.89Å; V1109-N1111 PolarHBondContact O-N 2.83Å; N1111-E1123 PolarHBondContact N-OE1 2.85Å
1112L87.6Confident82.1Confident1 Ų178.9 Ų78.91%0.00542%0.423CS..  trans-81130169.9-175.667.8000108.8L1050 D1053 V1109 A1110 A1124 L1129L1050-L1112 HydrophobicContact CD1-CD1 4.37Å; L1050-L1112 HydrophobicContact CD1-CD2 4.25Å; L1050-L1112 HydrophobicContact CD1-CG 4.36Å; D1053-L1112 HydrophobicContact CB-CD1 3.86Å; D1053-L1112 WeakPolarHBondContact OD2-CD1 3.4Å; V1109-L1112 WeakPolarHBondContact O-CB 3.21Å; V1109-L1112 PolarHBondContact O-N 3.2Å; A1110-L1112 PolarHBondContact O-N 3.12Å; L1112-A1124 HydrophobicContact CB-CB 4.12Å; L1112-A1124 HydrophobicContact CD2-CB 4.08Å; L1112-A1124 HydrophobicContact CG-CB 4.18Å; L1112-A1124 PolarHBondContact O-N 3Å; L1112-L1129 HydrophobicContact CD2-CD1 3.58Å; L1112-L1129 HydrophobicContact CD2-CD2 3.76Å; L1112-L1129 HydrophobicContact CD2-CG 4.1Å
1113Q83.2Confident82.2Confident120 Ų12078.5 Ų78.556%0.56143%0.427SS*.EExtended strand (participates in β ladder)trans-97.4130.6175.7-70.4-165.6-12.600110.8K1121 R1122Q1113-K1121 HydrophobicContact CB-CB 4.29Å; Q1113-K1121 HydrophobicContact CB-CD 4.28Å; Q1113-R1122 CarbonylContact C-O 3.56Å; Q1113-R1122 WeakPolarHBondContact CA-O 3.13Å
1114Y77.9Confident82.2Confident30 Ų3074.4 Ų74.412%0.11840%0.401CS..EExtended strand (participates in β ladder)trans-124.4134.7-176.9175.4-103000109.9L1050 D1116 K1121 R1122 V1132L1050-Y1114 HydrophobicContact CD1-CD2 4.24Å; L1050-Y1114 HydrophobicContact CD2-CD2 3.67Å; L1050-Y1114 HydrophobicContact CD2-CE2 3.9Å; Y1114-D1116 HydrophobicContact CD1-CB 4.18Å; Y1114-D1116 HydrophobicContact CE1-CB 3.76Å; Y1114-K1121 WeakPolarHBondContact O-CA 3.31Å; Y1114-R1122 PolarHBondContact N-O 3.01Å; Y1114-R1122 PolarHBondContact O-N 2.98Å; Y1114-V1132 HydrophobicContact CE2-CG2 3.85Å
1115D74.2Confident82Confident72 Ų7273 Ų7339%0.38540%0.4SS..EExtended strand (participates in β ladder)trans-96.7117.4170.3-172.8-14.2000107.8G1117 G1119D1115-G1117 PolarHBondContact O-N 3.3Å; D1115-G1117 PolarHBondContact OD1-N 2.9Å; D1115-G1119 PolarHBondContact OD1-N 3.49Å; D1115-G1119 VanDerWaalsContact OD1-N 3.09Å
1116D68.2Low81.8Confident66 Ų6673.4 Ų73.435%0.35340%0.404SS..  trans-84.913.6-178.662.81.1000113.3Y1114 S1118 R1122Y1114-D1116 HydrophobicContact CD1-CB 4.18Å; Y1114-D1116 HydrophobicContact CE1-CB 3.76Å; D1116-S1118 VanDerWaalsContact C-N 3.32Å; D1116-S1118 WeakPolarHBondContact OD1-CB 3.36Å; D1116-S1118 PolarHBondContact OD1-N 3.06Å; D1116-S1118 PolarHBondContact OD1-OG 2.76Å; D1116-R1122 IonicContact OD2-CZ 3.19Å; D1116-R1122 IonicContact OD2-NE 3.7Å; D1116-R1122 IonicContact OD2-NH1 2.79Å; D1116-R1122 PolarHBondContact OD2-NH1 3.49Å
1117G67.3Low81.3Confident72 Ų7271.7 Ų71.774%0.74240%0.399SS*.SBendtrans88.6-3.9-176.100000113.4D1115 G1119D1115-G1117 PolarHBondContact O-N 3.3Å; D1115-G1117 PolarHBondContact OD1-N 2.9Å; G1117-G1119 PolarHBondContact O-N 3.33Å
1118S69.4Low80.9Confident80 Ų8067.2 Ų67.256%0.55938%0.379SS*.SBendtrans-75.9-10.6171.368.50000113.3D1116 M1120D1116-S1118 VanDerWaalsContact C-N 3.32Å; D1116-S1118 WeakPolarHBondContact OD1-CB 3.36Å; D1116-S1118 PolarHBondContact OD1-N 3.06Å; D1116-S1118 PolarHBondContact OD1-OG 2.76Å; S1118-M1120 PolarHBondContact O-N 3.26Å; S1118-M1120 PolarHBondContact OG-N 3.19Å
1119G68.8Low80.7Confident59 Ų5967.2 Ų67.261%0.60838%0.379SS*.SBendtrans78.22.9-172.800000113.5D1115 G1117D1115-G1119 PolarHBondContact OD1-N 3.49Å; D1115-G1119 VanDerWaalsContact OD1-N 3.09Å; G1117-G1119 PolarHBondContact O-N 3.33Å
1120M74.7Confident80.1Confident148 Ų14867.5 Ų67.573%0.72938%0.38SS*.  trans-107.4129.3171.1-69.5-160.7178.500110.5S1118 R1122S1118-M1120 PolarHBondContact O-N 3.26Å; S1118-M1120 PolarHBondContact OG-N 3.19Å; M1120-R1122 PolarHBondContact O-N 3.1Å
1121K78.2Confident79.5Confident148 Ų14871.2 Ų71.264%0.64339%0.389SS*.EExtended strand (participates in β ladder)trans-76123173-67.8-172.3179.6-172.30110.3Q1113 Y1114Q1113-K1121 HydrophobicContact CB-CB 4.29Å; Q1113-K1121 HydrophobicContact CB-CD 4.28Å; Y1114-K1121 WeakPolarHBondContact O-CA 3.31Å
1122R84.3Confident79.5Confident112 Ų11265.4 Ų65.442%0.42336%0.358SS..EExtended strand (participates in β ladder)trans-113.4167170.271-176.9-162.8-167.78.5110.5Q1113 Y1114 D1116 M1120 A1124 D1128Q1113-R1122 CarbonylContact C-O 3.56Å; Q1113-R1122 WeakPolarHBondContact CA-O 3.13Å; Y1114-R1122 PolarHBondContact N-O 3.01Å; Y1114-R1122 PolarHBondContact O-N 2.98Å; D1116-R1122 IonicContact OD2-CZ 3.19Å; D1116-R1122 IonicContact OD2-NE 3.7Å; D1116-R1122 IonicContact OD2-NH1 2.79Å; D1116-R1122 PolarHBondContact OD2-NH1 3.49Å; M1120-R1122 PolarHBondContact O-N 3.1Å; R1122-A1124 PolarHBondContact O-N 2.94Å; R1122-D1128 IonicContact NH2-OD1 2.62Å; R1122-D1128 PolarHBondContact NH2-OD1 2.81Å; R1122-D1128 IonicContact NH2-OD2 3.74Å
1123E85Confident79.3Confident124 Ų12465.3 Ų65.358%0.57936%0.357SS*.EExtended strand (participates in β ladder)trans-68.6129.2171.4-165.3170.7-168.800109.3N1111N1111-E1123 PolarHBondContact N-OE1 2.85Å
1124A86.1Confident79Confident5 Ų563 Ų634%0.04135%0.346CS..  trans-67.7148.7176.900000109.9V1109 L1112 R1122V1109-A1124 HydrophobicContact CG1-CB 4.19Å; V1109-A1124 WeakPolarHBondContact CG1-O 3.45Å; L1112-A1124 HydrophobicContact CB-CB 4.12Å; L1112-A1124 HydrophobicContact CD2-CB 4.08Å; L1112-A1124 HydrophobicContact CG-CB 4.18Å; L1112-A1124 PolarHBondContact O-N 3Å; R1122-A1124 PolarHBondContact O-N 2.94Å
1125T86.9Confident78.8Confident66 Ų6662.8 Ų62.841%0.40535%0.347SS..  trans-104.8163.6166.465.90000110.6D1127 D1128 L1129T1125-D1127 PolarHBondContact O-N 3.39Å; T1125-D1128 WeakPolarHBondContact CB-OD2 3.26Å; T1125-D1128 PolarHBondContact N-OD2 3.04Å; T1125-D1128 PolarHBondContact O-N 2.99Å; T1125-D1128 PolarHBondContact OG1-N 2.72Å; T1125-D1128 VanDerWaalsContact OG1-N 3.1Å; T1125-D1128 PolarHBondContact OG1-OD2 3.06Å; T1125-L1129 PolarHBondContact O-N 2.75Å
1126A85.7Confident79.1Confident13 Ų1359.4 Ų59.411%0.10733%0.328CS..Hα-helixtrans-58.8-36.8173.100000111.4M1105 V1109 L1129 I1130M1105-A1126 HydrophobicContact CB-CB 4.17Å; V1109-A1126 HydrophobicContact CG2-CB 4.16Å; A1126-L1129 PolarHBondContact O-N 2.79Å; A1126-I1130 WeakPolarHBondContact O-CB 3.25Å; A1126-I1130 WeakPolarHBondContact O-CG1 2.92Å; A1126-I1130 PolarHBondContact O-N 3.36Å
1127D82.4Confident79.5Confident91 Ų9157.6 Ų57.649%0.48732%0.32SS..Hα-helixtrans-73-32.1179.5-55.9-46.8000112R1102 T1125 I1130 K1131R1102-D1127 IonicContact CZ-OD1 3.03Å; R1102-D1127 IonicContact NH1-OD1 2.64Å; R1102-D1127 PolarHBondContact NH1-OD1 3.33Å; R1102-D1127 IonicContact NH2-OD1 2.83Å; R1102-D1127 PolarHBondContact NH2-OD1 3.22Å; T1125-D1127 PolarHBondContact O-N 3.39Å; D1127-I1130 PolarHBondContact O-N 3.39Å; D1127-K1131 PolarHBondContact O-N 3.15Å
1128D84.2Confident79.8Confident27 Ų2760.2 Ų60.214%0.14431%0.307CS..Hα-helixtrans-60.6-48.5171-66-53.3000110.9R1122 T1125 K1131 V1132R1122-D1128 IonicContact NH2-OD1 2.62Å; R1122-D1128 PolarHBondContact NH2-OD1 2.81Å; R1122-D1128 IonicContact NH2-OD2 3.74Å; T1125-D1128 WeakPolarHBondContact CB-OD2 3.26Å; T1125-D1128 PolarHBondContact N-OD2 3.04Å; T1125-D1128 PolarHBondContact O-N 2.99Å; T1125-D1128 PolarHBondContact OG1-N 2.72Å; T1125-D1128 VanDerWaalsContact OG1-N 3.1Å; T1125-D1128 PolarHBondContact OG1-OD2 3.06Å; D1128-K1131 WeakPolarHBondContact O-CB 3.2Å; D1128-K1131 PolarHBondContact O-N 3.16Å; D1128-V1132 WeakPolarHBondContact O-CG2 3.39Å; D1128-V1132 PolarHBondContact O-N 2.78Å
1129L86.2Confident80.2Confident0 Ų057.3 Ų57.30%029%0.285CS..Hα-helixtrans-69-36.1178.7-68-168.5000112.8M1054 F1097 V1109 L1112 T1125 A1126 K1131 V1132 V1133M1054-L1129 HydrophobicContact CE-CD1 4.38Å; M1054-L1129 HydrophobicContact CG-CD1 4.5Å; M1054-L1129 HydrophobicContact SD-CD1 4.14Å; M1054-L1129 HydrophobicContact SD-CD2 4.28Å; F1097-L1129 HydrophobicContact CD1-CB 4.29Å; F1097-L1129 HydrophobicContact CE1-CB 3.5Å; F1097-L1129 HydrophobicContact CE2-CD1 4.29Å; F1097-L1129 HydrophobicContact CZ-CB 3.72Å; F1097-L1129 HydrophobicContact CZ-CD1 4.04Å; V1109-L1129 HydrophobicContact CG2-CD1 3.57Å; V1109-L1129 HydrophobicContact CG2-CG 4.18Å; L1112-L1129 HydrophobicContact CD2-CD1 3.58Å; L1112-L1129 HydrophobicContact CD2-CD2 3.76Å; L1112-L1129 HydrophobicContact CD2-CG 4.1Å; T1125-L1129 PolarHBondContact O-N 2.75Å; A1126-L1129 PolarHBondContact O-N 2.79Å; L1129-K1131 VanDerWaalsContact C-N 3.27Å; L1129-K1131 PolarHBondContact O-N 3.5Å; L1129-V1132 PolarHBondContact O-N 3.14Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.46Å; L1129-V1133 PolarHBondContact O-N 3.4Å
1130I79.5Confident80.6Confident15 Ų1555.2 Ų55.28%0.07726%0.26CS..Hα-helixtrans-56.4-48.1173.7-74.9165.6000109F1097 L1098 M1105 A1126 D1127 V1132 V1133 E1134F1097-I1130 HydrophobicContact CD1-CG1 4.49Å; F1097-I1130 HydrophobicContact CE1-CG1 3.82Å; L1098-I1130 HydrophobicContact CD2-CB 4.48Å; L1098-I1130 HydrophobicContact CD2-CG1 4.38Å; L1098-I1130 HydrophobicContact CD2-CG2 4.14Å; M1105-I1130 HydrophobicContact CE-CD1 4.28Å; M1105-I1130 HydrophobicContact CE-CG1 4.35Å; M1105-I1130 HydrophobicContact SD-CD1 4.02Å; M1105-I1130 HydrophobicContact SD-CG1 4.45Å; A1126-I1130 WeakPolarHBondContact O-CB 3.25Å; A1126-I1130 WeakPolarHBondContact O-CG1 2.92Å; A1126-I1130 PolarHBondContact O-N 3.36Å; D1127-I1130 PolarHBondContact O-N 3.39Å; I1130-V1132 PolarHBondContact O-N 3.5Å; I1130-V1133 PolarHBondContact O-N 3.35Å; I1130-E1134 HydrophobicContact CG2-CG 4.18Å; I1130-E1134 VanDerWaalsContact CG2-OE1 3.25Å; I1130-E1134 WeakPolarHBondContact CG2-OE1 3.38Å; I1130-E1134 WeakPolarHBondContact O-CB 3.18Å; I1130-E1134 VanDerWaalsContact O-CG 3.27Å; I1130-E1134 WeakPolarHBondContact O-CG 3.43Å; I1130-E1134 PolarHBondContact O-N 3.44Å
1131K76Confident80.9Confident121 Ų12150.6 Ų50.653%0.52624%0.236SC..Hα-helixtrans-60-45.2178.3-174.4-174.9173.6-165.90112D1127 D1128 L1129 V1133 E1134 E1135D1127-K1131 PolarHBondContact O-N 3.15Å; D1128-K1131 WeakPolarHBondContact O-CB 3.2Å; D1128-K1131 PolarHBondContact O-N 3.16Å; L1129-K1131 VanDerWaalsContact C-N 3.27Å; L1129-K1131 PolarHBondContact O-N 3.5Å; K1131-V1133 PolarHBondContact O-N 3.35Å; K1131-E1134 PolarHBondContact O-N 2.87Å; K1131-E1135 WeakPolarHBondContact CE-OE1 3.32Å; K1131-E1135 IonicContact NZ-OE1 3.62Å; K1131-E1135 WeakPolarHBondContact O-CG 3.48Å; K1131-E1135 PolarHBondContact O-N 3.41Å
1132V83.3Confident81Confident3 Ų345.4 Ų45.42%0.01822%0.215CC..Hα-helixtrans-57.9-48.4176.9165.50000111.5W1047 L1051 Y1114 D1128 L1129 I1130 E1135 L1136W1047-V1132 HydrophobicContact CH2-CG1 4.32Å; W1047-V1132 HydrophobicContact CH2-CG2 3.94Å; W1047-V1132 HydrophobicContact CZ3-CB 4.38Å; W1047-V1132 HydrophobicContact CZ3-CG1 3.61Å; W1047-V1132 HydrophobicContact CZ3-CG2 3.89Å; L1051-V1132 HydrophobicContact CD2-CG1 4.25Å; Y1114-V1132 HydrophobicContact CE2-CG2 3.85Å; D1128-V1132 WeakPolarHBondContact O-CG2 3.39Å; D1128-V1132 PolarHBondContact O-N 2.78Å; L1129-V1132 PolarHBondContact O-N 3.14Å; I1130-V1132 PolarHBondContact O-N 3.5Å; V1132-E1135 PolarHBondContact O-N 2.81Å; V1132-L1136 HydrophobicContact CG1-CD1 4.21Å; V1132-L1136 WeakPolarHBondContact O-CG 3.41Å; V1132-L1136 PolarHBondContact O-N 3.36Å
1133V84.4Confident80.8Confident0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-68.5-38.4-179-178.40000110.9M1054 I1094 E1095 F1097 L1098 L1129 I1130 K1131 E1135 L1136 T1137M1054-V1133 HydrophobicContact CE-CG2 3.44Å; M1054-V1133 VanDerWaalsContact CE-CG2 3.44Å; M1054-V1133 HydrophobicContact SD-CG2 4.26Å; I1094-V1133 HydrophobicContact CG2-CG1 4.32Å; I1094-V1133 HydrophobicContact CG2-CG2 3.79Å; E1095-V1133 HydrophobicContact CG-CG1 4.39Å; F1097-V1133 HydrophobicContact CB-CG2 4.42Å; F1097-V1133 HydrophobicContact CD1-CG2 4.12Å; L1098-V1133 HydrophobicContact CD1-CB 4.49Å; L1098-V1133 HydrophobicContact CD1-CG1 3.78Å; L1098-V1133 HydrophobicContact CD2-CB 4.19Å; L1098-V1133 HydrophobicContact CD2-CG1 4.19Å; L1098-V1133 HydrophobicContact CG-CB 4.25Å; L1098-V1133 HydrophobicContact CG-CG1 3.68Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.46Å; L1129-V1133 PolarHBondContact O-N 3.4Å; I1130-V1133 PolarHBondContact O-N 3.35Å; K1131-V1133 PolarHBondContact O-N 3.35Å; V1133-E1135 VanDerWaalsContact C-N 3.29Å; V1133-E1135 PolarHBondContact O-N 3.03Å; V1133-L1136 PolarHBondContact O-N 3.31Å; V1133-T1137 HydrophobicContact CG1-CG2 4.23Å; V1133-T1137 WeakPolarHBondContact O-CG2 3.38Å; V1133-T1137 PolarHBondContact O-N 3.18Å; V1133-T1137 PolarHBondContact O-OG1 3.44Å
1134E75.3Confident80.6Confident70 Ų7036.9 Ų36.933%0.32718%0.181SC..Hα-helixtrans-64.3-30.5173.3-74.8175.5177.400113L1098 I1130 K1131 T1137 R1138L1098-E1134 HydrophobicContact CD1-CG 4.38Å; L1098-E1134 HydrophobicContact CD2-CG 4.3Å; I1130-E1134 HydrophobicContact CG2-CG 4.18Å; I1130-E1134 VanDerWaalsContact CG2-OE1 3.25Å; I1130-E1134 WeakPolarHBondContact CG2-OE1 3.38Å; I1130-E1134 WeakPolarHBondContact O-CB 3.18Å; I1130-E1134 VanDerWaalsContact O-CG 3.27Å; I1130-E1134 WeakPolarHBondContact O-CG 3.43Å; I1130-E1134 PolarHBondContact O-N 3.44Å; K1131-E1134 PolarHBondContact O-N 2.87Å; E1134-T1137 WeakPolarHBondContact CA-OG1 3.47Å; E1134-T1137 PolarHBondContact O-OG1 2.84Å; E1134-R1138 WeakPolarHBondContact O-CG 3.36Å
1135E74Confident80.2Confident26 Ų2638.9 Ų38.912%0.12119%0.19CC..Hα-helixtrans-73.9-37.5172.5-75.8177.3173.700111.5K1131 V1132 V1133 R1138K1131-E1135 WeakPolarHBondContact CE-OE1 3.32Å; K1131-E1135 IonicContact NZ-OE1 3.62Å; K1131-E1135 WeakPolarHBondContact O-CG 3.48Å; K1131-E1135 PolarHBondContact O-N 3.41Å; V1132-E1135 PolarHBondContact O-N 2.81Å; V1133-E1135 VanDerWaalsContact C-N 3.29Å; V1133-E1135 PolarHBondContact O-N 3.03Å; E1135-R1138 PolarHBondContact O-N 3.31Å
1136L81.5Confident79.8Confident1 Ų137.1 Ų37.11%0.00518%0.175CC..Hα-helixtrans-68.7-37174.5-71.4170000112.2Y5 P1023 T1024 L1051 I1094 V1132 V1133 R1138 I1139Y5-L1136 HydrophobicContact CE2-CD1 4.23Å; P1023-L1136 HydrophobicContact CG-CD2 3.96Å; T1024-L1136 HydrophobicContact CG2-CD2 4.42Å; L1051-L1136 HydrophobicContact CD1-CD1 3.94Å; L1051-L1136 HydrophobicContact CD2-CD1 3.81Å; I1094-L1136 HydrophobicContact CG2-CD1 4.18Å; V1132-L1136 HydrophobicContact CG1-CD1 4.21Å; V1132-L1136 WeakPolarHBondContact O-CG 3.41Å; V1132-L1136 PolarHBondContact O-N 3.36Å; V1133-L1136 PolarHBondContact O-N 3.31Å; L1136-R1138 PolarHBondContact O-N 2.94Å; L1136-I1139 WeakPolarHBondContact O-CG1 3.38Å; L1136-I1139 PolarHBondContact O-N 2.64Å
1137T76.6Confident79.4Confident28 Ų2838.8 Ų38.817%0.17218%0.18CC..G310 helixtrans-68.5-13.4178.761.60000113.2E1095 L1098 V1133 E1134 I1139E1095-T1137 VanDerWaalsContact CD-CG2 3.49Å; E1095-T1137 HydrophobicContact CG-CG2 3.68Å; E1095-T1137 VanDerWaalsContact OE1-CG2 3.23Å; E1095-T1137 WeakPolarHBondContact OE1-CG2 3.4Å; L1098-T1137 HydrophobicContact CD1-CG2 4.1Å; V1133-T1137 HydrophobicContact CG1-CG2 4.23Å; V1133-T1137 WeakPolarHBondContact O-CG2 3.38Å; V1133-T1137 PolarHBondContact O-N 3.18Å; V1133-T1137 PolarHBondContact O-OG1 3.44Å; E1134-T1137 WeakPolarHBondContact CA-OG1 3.47Å; E1134-T1137 PolarHBondContact O-OG1 2.84Å; T1137-I1139 VanDerWaalsContact C-N 3.33Å
1138R74.1Confident79.1Confident128 Ų12834.8 Ų34.848%0.48316%0.157SC..G310 helixtrans-81.7-7.8175.2-70.1172.8-171.4-157.51.9113.6V1013 E1019 E1134 E1135 L1136 H1140V1013-R1138 WeakPolarHBondContact CB-O 3.49Å; V1013-R1138 VanDerWaalsContact CG1-O 3.3Å; V1013-R1138 WeakPolarHBondContact CG1-O 3.49Å; V1013-R1138 WeakPolarHBondContact CG2-O 3.23Å; E1019-R1138 IonicContact OE1-NH1 3.54Å; E1019-R1138 IonicContact OE2-NH1 2.71Å; E1134-R1138 WeakPolarHBondContact O-CG 3.36Å; E1135-R1138 PolarHBondContact O-N 3.31Å; L1136-R1138 PolarHBondContact O-N 2.94Å; R1138-H1140 VanDerWaalsContact C-N 3.32Å
1139I77.9Confident78.7Confident19 Ų1935.4 Ų35.410%0.09716%0.158CC..G310 helixtrans-83.3-10-178.277.4-170.7000112.8Y5 T1022 T1024 L1039 T1041 L1136 T1137Y5-I1139 HydrophobicContact CD1-CD1 4Å; Y5-I1139 HydrophobicContact CE1-CD1 3.9Å; T1022-I1139 HydrophobicContact CG2-CG2 4.23Å; T1024-I1139 HydrophobicContact CG2-CD1 4.2Å; L1039-I1139 HydrophobicContact CD2-CB 4.38Å; L1039-I1139 HydrophobicContact CD2-CD1 3.81Å; L1039-I1139 HydrophobicContact CD2-CG1 3.58Å; T1041-I1139 HydrophobicContact CG2-CD1 4.16Å; L1136-I1139 WeakPolarHBondContact O-CG1 3.38Å; L1136-I1139 PolarHBondContact O-N 2.64Å; T1137-I1139 VanDerWaalsContact C-N 3.33Å
1140H75.6Confident78Confident14 Ų1438.6 Ų38.67%0.06517%0.172CC..  trans-137.80-176.965.894.9000114.1V7 T8 A9 L1039 E1095 R1138V7-H1140 VanDerWaalsContact CG1-CD2 3.48Å; V7-H1140 WeakPolarHBondContact CG1-CD2 3.31Å; V7-H1140 WeakPolarHBondContact CG2-NE2 3.11Å; T8-H1140 PolarHBondContact O-CE1 3.11Å; T8-H1140 VanDerWaalsContact O-CE1 3.28Å; T8-H1140 PolarHBondContact O-ND1 2.92Å; A9-H1140 WeakPolarHBondContact CA-ND1 3.5Å; A9-H1140 HydrophobicContact CB-CB 3.89Å; L1039-H1140 HydrophobicContact CD2-CB 4.23Å; E1095-H1140 IonicContact OE1-CD2 3.65Å; E1095-H1140 IonicContact OE1-CE1 3.8Å; E1095-H1140 PolarHBondContact OE1-CE1 2.86Å; E1095-H1140 VanDerWaalsContact OE1-CE1 3.24Å; E1095-H1140 IonicContact OE1-NE2 3.86Å; E1095-H1140 PolarHBondContact OE1-NE2 3.48Å; R1138-H1140 VanDerWaalsContact C-N 3.32Å

Retrieved 1,140 of 1,140 residues in 233.4 ms (Link to these results)