A0A5K4F6M4_SCHMA Loading...

Glyco_hydro_5_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6M4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 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
1M69.4Low83.7Confident65 Ų6583.3 Ų83.332%0.3242%0.416SS..  0148.20179.9-173-67.200108.7F3 K5 K6 S47 V49 E53M1-F3 PolarHBondContact O-N 3.24Å; M1-K5 HydrophobicContact CG-CB 3.73Å; M1-K5 HydrophobicContact CG-CD 4.34Å; M1-K5 HydrophobicContact SD-CB 3.6Å; M1-K5 VanDerWaalsContact SD-CB 3.6Å; M1-K6 HydrophobicContact SD-CB 4.36Å; M1-S47 PolarHBondContact N-O 2.89Å; M1-V49 HydrophobicContact CB-CG1 4.42Å; M1-V49 HydrophobicContact CB-CG2 3.99Å; M1-V49 HydrophobicContact CE-CG1 4.28Å; M1-E53 HydrophobicContact CE-CG 4.47Å; M1-E53 WeakPolarHBondContact CE-OE1 3.35Å
2P79.4Confident84.3Confident66 Ų6687.2 Ų87.243%0.42943%0.429SS..  trans-55.6133.9172.2-23.332.9000111.3W4 K5 K6P2-W4 HydrophobicContact CB-CG 4.45Å; P2-W4 PolarHBondContact O-N 3.48Å; P2-W4 VanDerWaalsContact O-N 3.15Å; P2-K5 HydrophobicContact CB-CG 4.48Å; P2-K5 HydrophobicContact CG-CD 4.37Å; P2-K5 WeakPolarHBondContact O-CB 3.33Å; P2-K5 PolarHBondContact O-N 3.29Å; P2-K6 PolarHBondContact O-N 2.93Å
3F81.3Confident85Confident163 Ų16387.7 Ų87.772%0.71543%0.433SS*.Hα-helixtrans-51.7-41.9-175176.5-102.3000113.3M1 K5 K6 V7M1-F3 PolarHBondContact O-N 3.24Å; F3-K5 VanDerWaalsContact C-N 3.28Å; F3-K5 PolarHBondContact O-N 2.83Å; F3-K6 WeakPolarHBondContact O-CB 3.36Å; F3-K6 PolarHBondContact O-N 2.81Å; F3-K6 VanDerWaalsContact O-N 3.13Å; F3-V7 HydrophobicContact CD1-CG2 4.08Å; F3-V7 HydrophobicContact CD2-CG2 4.48Å; F3-V7 HydrophobicContact CE1-CG2 3.59Å; F3-V7 HydrophobicContact CE2-CG2 4.03Å; F3-V7 HydrophobicContact CZ-CG2 3.56Å; F3-V7 WeakPolarHBondContact O-CG2 3.48Å; F3-V7 PolarHBondContact O-N 3.05Å
4W84.5Confident85.5Confident165 Ų16584 Ų8463%0.62542%0.416SS*.Hα-helixtrans-62.3-32.9179.168.9-95.7000113.3P2 L8P2-W4 HydrophobicContact CB-CG 4.45Å; P2-W4 PolarHBondContact O-N 3.48Å; P2-W4 VanDerWaalsContact O-N 3.15Å; W4-L8 WeakPolarHBondContact O-CB 3.3Å; W4-L8 PolarHBondContact O-N 3.44Å
5K85.2Confident86.1Confident95 Ų9581 Ų8141%0.41341%0.405SS..Hα-helixtrans-69.6-42.2174.9-73.1-168.9178.7-1770110.6M1 P2 F3 L8 C9M1-K5 HydrophobicContact CG-CB 3.73Å; M1-K5 HydrophobicContact CG-CD 4.34Å; M1-K5 HydrophobicContact SD-CB 3.6Å; M1-K5 VanDerWaalsContact SD-CB 3.6Å; P2-K5 HydrophobicContact CB-CG 4.48Å; P2-K5 HydrophobicContact CG-CD 4.37Å; P2-K5 WeakPolarHBondContact O-CB 3.33Å; P2-K5 PolarHBondContact O-N 3.29Å; F3-K5 VanDerWaalsContact C-N 3.28Å; F3-K5 PolarHBondContact O-N 2.83Å; K5-L8 WeakPolarHBondContact O-CB 3.44Å; K5-L8 PolarHBondContact O-N 3.25Å; K5-C9 PolarHBondContact O-N 2.89Å; K5-C9 PolarHBondContact O-SG 3.31Å
6K84.1Confident86.7Confident74 Ų7480.7 Ų80.732%0.32241%0.409SS..Hα-helixtrans-57.8-49.9175.1-179.6176179175.30110.7M1 P2 F3 L8 C9 D10M1-K6 HydrophobicContact SD-CB 4.36Å; P2-K6 PolarHBondContact O-N 2.93Å; F3-K6 WeakPolarHBondContact O-CB 3.36Å; F3-K6 PolarHBondContact O-N 2.81Å; F3-K6 VanDerWaalsContact O-N 3.13Å; K6-L8 VanDerWaalsContact C-N 3.32Å; K6-L8 PolarHBondContact O-N 3.11Å; K6-C9 PolarHBondContact O-N 2.85Å; K6-D10 WeakPolarHBondContact CE-OD2 3.3Å; K6-D10 WeakPolarHBondContact CG-OD2 3.35Å; K6-D10 WeakPolarHBondContact O-CB 3.45Å; K6-D10 VanDerWaalsContact O-CG 3.26Å; K6-D10 PolarHBondContact O-N 3.34Å
7V85.6Confident87.2Confident52 Ų5281.2 Ų81.232%0.31542%0.417SS..Hα-helixtrans-58.6-43.3176.4174.40000111.6F3 S11F3-V7 HydrophobicContact CD1-CG2 4.08Å; F3-V7 HydrophobicContact CD2-CG2 4.48Å; F3-V7 HydrophobicContact CE1-CG2 3.59Å; F3-V7 HydrophobicContact CE2-CG2 4.03Å; F3-V7 HydrophobicContact CZ-CG2 3.56Å; F3-V7 WeakPolarHBondContact O-CG2 3.48Å; F3-V7 PolarHBondContact O-N 3.05Å; V7-S11 WeakPolarHBondContact O-CA 3.19Å; V7-S11 WeakPolarHBondContact O-CB 3.08Å; V7-S11 PolarHBondContact O-N 3.37Å; V7-S11 PolarHBondContact O-OG 2.92Å
8L89Confident87.6Confident81 Ų8177.4 Ų77.442%0.42440%0.398SS..Hα-helixtrans-61.5-44.9176.7-168.597.7000111.9W4 K5 K6 F12 L13W4-L8 WeakPolarHBondContact O-CB 3.3Å; W4-L8 PolarHBondContact O-N 3.44Å; K5-L8 WeakPolarHBondContact O-CB 3.44Å; K5-L8 PolarHBondContact O-N 3.25Å; K6-L8 VanDerWaalsContact C-N 3.32Å; K6-L8 PolarHBondContact O-N 3.11Å; L8-F12 WeakPolarHBondContact O-CB 3.41Å; L8-F12 PolarHBondContact O-N 3.34Å; L8-F12 VanDerWaalsContact O-N 3.16Å; L8-L13 HydrophobicContact CD2-CD1 4.07Å; L8-L13 HydrophobicContact CD2-CG 4.45Å; L8-L13 PolarHBondContact O-N 3.28Å
9C88Confident88Confident44 Ų4475.8 Ų75.830%0.29739%0.394SS..Iπ-helixtrans-62.8-56177.5-69.60000111.2K5 K6 L13 L14K5-C9 PolarHBondContact O-N 2.89Å; K5-C9 PolarHBondContact O-SG 3.31Å; K6-C9 PolarHBondContact O-N 2.85Å; C9-L13 PolarHBondContact O-N 3.46Å; C9-L14 WeakPolarHBondContact O-CB 3.24Å; C9-L14 PolarHBondContact O-N 2.91Å
10D86.2Confident88.4Confident39 Ų3976.5 Ų76.521%0.20940%0.399CS..Iπ-helixtrans-74.2-37.3-169.6-60.7-5.5000112.2K6 P15 A56K6-D10 WeakPolarHBondContact CE-OD2 3.3Å; K6-D10 WeakPolarHBondContact CG-OD2 3.35Å; K6-D10 WeakPolarHBondContact O-CB 3.45Å; K6-D10 VanDerWaalsContact O-CG 3.26Å; K6-D10 PolarHBondContact O-N 3.34Å; D10-P15 VanDerWaalsContact O-CD 3.29Å; D10-P15 WeakPolarHBondContact O-CD 3.44Å; D10-A56 HydrophobicContact CB-CB 4.34Å
11S88.3Confident88.7Confident72 Ų7275.8 Ų75.850%0.50340%0.397SS..Iπ-helixtrans-98.4-16.8-173.3-52.70000114.2V7V7-S11 WeakPolarHBondContact O-CA 3.19Å; V7-S11 WeakPolarHBondContact O-CB 3.08Å; V7-S11 PolarHBondContact O-N 3.37Å; V7-S11 PolarHBondContact O-OG 2.92Å
12F90.6Very high90Very high130 Ų13074.1 Ų74.157%0.5739%0.39SS*.Iπ-helixtrans-124.5-60.4-178.1-70.4-90000113.1L8 T16L8-F12 WeakPolarHBondContact O-CB 3.41Å; L8-F12 PolarHBondContact O-N 3.34Å; L8-F12 VanDerWaalsContact O-N 3.16Å; F12-T16 WeakPolarHBondContact O-CB 3.42Å; F12-T16 PolarHBondContact O-N 2.79Å; F12-T16 PolarHBondContact O-OG1 3.12Å
13L93.2Very high90.8Very high94 Ų9476.8 Ų76.849%0.49239%0.394SS..Iπ-helixtrans-66.3-50.5-171.5-67176.6000111.7L8 C9 T16 V17L8-L13 HydrophobicContact CD2-CD1 4.07Å; L8-L13 HydrophobicContact CD2-CG 4.45Å; L8-L13 PolarHBondContact O-N 3.28Å; C9-L13 PolarHBondContact O-N 3.46Å; L13-T16 WeakPolarHBondContact O-CB 3.28Å; L13-T16 PolarHBondContact O-N 2.84Å; L13-V17 WeakPolarHBondContact O-CG2 3.15Å; L13-V17 PolarHBondContact O-N 3.11Å
14L92.9Very high91.4Very high36 Ų3671.5 Ų71.519%0.18838%0.381CS..Hα-helixtrans-60.9-52.3-178.7172.764.9000111.8C9 T16 V17 T18 A56 V57 E60C9-L14 WeakPolarHBondContact O-CB 3.24Å; C9-L14 PolarHBondContact O-N 2.91Å; L14-T16 PolarHBondContact O-N 3.4Å; L14-V17 PolarHBondContact O-N 3.34Å; L14-T18 PolarHBondContact O-N 3.29Å; L14-T18 PolarHBondContact O-OG1 2.97Å; L14-T18 VanDerWaalsContact O-OG1 3.09Å; L14-A56 HydrophobicContact CD2-CB 4.08Å; L14-A56 WeakPolarHBondContact CD2-O 3.4Å; L14-V57 HydrophobicContact CD1-CG2 4.37Å; L14-V57 HydrophobicContact CD2-CG2 4.41Å; L14-E60 HydrophobicContact CD1-CB 4.42Å; L14-E60 HydrophobicContact CD1-CG 4.42Å; L14-E60 HydrophobicContact CD2-CB 3.8Å; L14-E60 HydrophobicContact CD2-CG 4.3Å; L14-E60 HydrophobicContact CG-CB 4.03Å; L14-E60 HydrophobicContact CG-CG 4Å
15P94.5Very high92Very high39 Ų3965 Ų6525%0.25336%0.359SS..Hα-helixtrans-58.6-34.2174.3-27.735.8000113.9D10 S19D10-P15 VanDerWaalsContact O-CD 3.29Å; D10-P15 WeakPolarHBondContact O-CD 3.44Å; P15-S19 WeakPolarHBondContact O-CB 3.37Å; P15-S19 PolarHBondContact O-N 2.84Å
16T95.6Very high92.4Very high76 Ų7668.6 Ų68.647%0.46638%0.375SS..Hα-helixtrans-67.3-45.3177.9-61.90000111.4F12 L13 L14 S19 N20F12-T16 WeakPolarHBondContact O-CB 3.42Å; F12-T16 PolarHBondContact O-N 2.79Å; F12-T16 PolarHBondContact O-OG1 3.12Å; L13-T16 WeakPolarHBondContact O-CB 3.28Å; L13-T16 PolarHBondContact O-N 2.84Å; L14-T16 PolarHBondContact O-N 3.4Å; T16-S19 PolarHBondContact O-N 2.8Å; T16-N20 VanDerWaalsContact O-CG 3.24Å; T16-N20 PolarHBondContact O-N 3.12Å; T16-N20 PolarHBondContact O-ND2 2.95Å
17V94.6Very high92.9Very high89 Ų8970.9 Ų70.954%0.53940%0.395SS..Hα-helixtrans-60.6-49.9176172.30000109.9L13 L14 S19 N20 V21L13-V17 WeakPolarHBondContact O-CG2 3.15Å; L13-V17 PolarHBondContact O-N 3.11Å; L14-V17 PolarHBondContact O-N 3.34Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 3.29Å; V17-N20 WeakPolarHBondContact O-CB 3.25Å; V17-N20 PolarHBondContact O-N 3.16Å; V17-N20 VanDerWaalsContact O-N 3.12Å; V17-V21 PolarHBondContact O-N 3.33Å; V17-V21 VanDerWaalsContact O-N 3.1Å
18T95.2Very high93.4Very high14 Ų1473.9 Ų73.99%0.08641%0.414CS..Hα-helixtrans-60-43.4178.7-52.90000111.8L14 N20 V21 I22 E60 H64L14-T18 PolarHBondContact O-N 3.29Å; L14-T18 PolarHBondContact O-OG1 2.97Å; L14-T18 VanDerWaalsContact O-OG1 3.09Å; T18-N20 VanDerWaalsContact C-N 3.3Å; T18-N20 PolarHBondContact O-N 3.01Å; T18-V21 PolarHBondContact O-N 2.9Å; T18-I22 HydrophobicContact CG2-CD1 3.99Å; T18-I22 VanDerWaalsContact O-CG1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 2.93Å; T18-I22 PolarHBondContact O-N 2.91Å; T18-E60 HydrophobicContact CG2-CG 4.3Å; T18-H64 HydrophobicContact CG2-CB 4.48Å; T18-H64 WeakPolarHBondContact CG2-CD2 3.04Å
19S95.2Very high93.6Very high46 Ų4672.1 Ų72.132%0.32242%0.416SS..Hα-helixtrans-59.7-39.6175.8-170.20000112.6P15 T16 V17 I22 K23P15-S19 WeakPolarHBondContact O-CB 3.37Å; P15-S19 PolarHBondContact O-N 2.84Å; T16-S19 PolarHBondContact O-N 2.8Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 3.29Å; S19-I22 PolarHBondContact O-N 3.27Å; S19-K23 VanDerWaalsContact O-CG 3.29Å; S19-K23 WeakPolarHBondContact O-CG 3.32Å; S19-K23 PolarHBondContact O-N 3.43Å
20N95.6Very high93.8Very high90 Ų9073.4 Ų73.448%0.48144%0.436SS..Hα-helixtrans-65.6-43.4177.9-72.4-20.7000111.7T16 V17 T18 K23 A24T16-N20 VanDerWaalsContact O-CG 3.24Å; T16-N20 PolarHBondContact O-N 3.12Å; T16-N20 PolarHBondContact O-ND2 2.95Å; V17-N20 WeakPolarHBondContact O-CB 3.25Å; V17-N20 PolarHBondContact O-N 3.16Å; V17-N20 VanDerWaalsContact O-N 3.12Å; T18-N20 VanDerWaalsContact C-N 3.3Å; T18-N20 PolarHBondContact O-N 3.01Å; N20-K23 PolarHBondContact O-N 3.1Å; N20-A24 PolarHBondContact O-N 3.14Å
21V95Very high94Very high62 Ų6275.3 Ų75.338%0.37647%0.465SS..Hα-helixtrans-63.9-43.3176-176.40000110.5V17 T18 K23 A24 T25V17-V21 PolarHBondContact O-N 3.33Å; V17-V21 VanDerWaalsContact O-N 3.1Å; T18-V21 PolarHBondContact O-N 2.9Å; V21-K23 VanDerWaalsContact C-N 3.32Å; V21-K23 PolarHBondContact O-N 2.66Å; V21-A24 WeakPolarHBondContact O-CB 3.5Å; V21-A24 PolarHBondContact O-N 2.95Å; V21-T25 PolarHBondContact O-N 2.8Å; V21-T25 PolarHBondContact O-OG1 2.84Å; V21-T25 VanDerWaalsContact O-OG1 3.1Å
22I95.7Very high94.2Very high30 Ų3074.6 Ų74.615%0.15445%0.451CS..Hα-helixtrans-57.3-45.1175-69.5166.6000111.3T18 S19 T25 K26 R32 H64T18-I22 HydrophobicContact CG2-CD1 3.99Å; T18-I22 VanDerWaalsContact O-CG1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 2.93Å; T18-I22 PolarHBondContact O-N 2.91Å; S19-I22 PolarHBondContact O-N 3.27Å; I22-T25 PolarHBondContact O-N 3.15Å; I22-K26 HydrophobicContact CG2-CD 4.21Å; I22-K26 WeakPolarHBondContact O-CG 3.3Å; I22-K26 PolarHBondContact O-N 2.81Å; I22-R32 VanDerWaalsContact CG1-NH1 3.33Å; I22-H64 HydrophobicContact CD1-CB 4.27Å; I22-H64 WeakPolarHBondContact CD1-ND1 3.36Å
23K96Very high94.5Very high121 Ų12173.7 Ų73.753%0.52645%0.447SS..Hα-helixtrans-64.1-42.3178-73.5170.5-171.9170.90111.9S19 N20 V21 K26 T27S19-K23 VanDerWaalsContact O-CG 3.29Å; S19-K23 WeakPolarHBondContact O-CG 3.32Å; S19-K23 PolarHBondContact O-N 3.43Å; N20-K23 PolarHBondContact O-N 3.1Å; V21-K23 VanDerWaalsContact C-N 3.32Å; V21-K23 PolarHBondContact O-N 2.66Å; K23-K26 PolarHBondContact O-N 2.77Å; K23-T27 PolarHBondContact O-N 3.19Å; K23-T27 PolarHBondContact O-OG1 2.94Å
24A95.5Very high94.6Very high53 Ų5371.8 Ų71.844%0.43844%0.437SS..Hα-helixtrans-59.3-51.4176.200000110.6N20 V21 K26 T27 T28N20-A24 PolarHBondContact O-N 3.14Å; V21-A24 WeakPolarHBondContact O-CB 3.5Å; V21-A24 PolarHBondContact O-N 2.95Å; A24-K26 VanDerWaalsContact C-N 3.34Å; A24-K26 PolarHBondContact O-N 2.79Å; A24-T27 WeakPolarHBondContact O-CA 3.32Å; A24-T27 WeakPolarHBondContact O-CB 3.34Å; A24-T27 PolarHBondContact O-N 3.41Å; A24-T28 PolarHBondContact O-N 2.99Å; A24-T28 PolarHBondContact O-OG1 2.94Å
25T95.3Very high94.7Very high27 Ų2774.2 Ų74.217%0.16645%0.454CS..Hα-helixtrans-64.1-35.2179.7-51.90000113.2V21 I22 T27 T28 G29 G30 R32V21-T25 PolarHBondContact O-N 2.8Å; V21-T25 PolarHBondContact O-OG1 2.84Å; V21-T25 VanDerWaalsContact O-OG1 3.1Å; I22-T25 PolarHBondContact O-N 3.15Å; T25-T27 PolarHBondContact O-N 3.03Å; T25-T28 WeakPolarHBondContact CA-OG1 3.2Å; T25-T28 PolarHBondContact O-N 3.2Å; T25-G29 VanDerWaalsContact O-CA 3.24Å; T25-G29 WeakPolarHBondContact O-CA 3.46Å; T25-G29 PolarHBondContact O-N 2.89Å; T25-G30 VanDerWaalsContact CG2-O 3.3Å; T25-G30 WeakPolarHBondContact CG2-O 3.13Å; T25-R32 HydrophobicContact CG2-CG 3.67Å; T25-R32 WeakPolarHBondContact OG1-CD 3.31Å; T25-R32 WeakPolarHBondContact OG1-CG 3.23Å
26K94.8Very high94.6Very high172 Ų17277.9 Ų77.975%0.74847%0.468SS*.Hα-helixtrans-60.4-28.8172.7-77.9177.7-179.5-178.90112.7I22 K23 A24I22-K26 HydrophobicContact CG2-CD 4.21Å; I22-K26 WeakPolarHBondContact O-CG 3.3Å; I22-K26 PolarHBondContact O-N 2.81Å; K23-K26 PolarHBondContact O-N 2.77Å; A24-K26 VanDerWaalsContact C-N 3.34Å; A24-K26 PolarHBondContact O-N 2.79Å
27T95.3Very high94.4Very high122 Ų12275.3 Ų75.375%0.74845%0.45SS*.Hα-helixtrans-86.4-40.3-179.7-50.10000111.5K23 A24 T25K23-T27 PolarHBondContact O-N 3.19Å; K23-T27 PolarHBondContact O-OG1 2.94Å; A24-T27 WeakPolarHBondContact O-CA 3.32Å; A24-T27 WeakPolarHBondContact O-CB 3.34Å; A24-T27 PolarHBondContact O-N 3.41Å; T25-T27 PolarHBondContact O-N 3.03Å
28T95.5Very high94.1Very high114 Ų11472.3 Ų72.370%0.69944%0.437SS*.Hα-helixtrans-89.2-19-176590000113.8A24 T25A24-T28 PolarHBondContact O-N 2.99Å; A24-T28 PolarHBondContact O-OG1 2.94Å; T25-T28 WeakPolarHBondContact CA-OG1 3.2Å; T25-T28 PolarHBondContact O-N 3.2Å
29G92.9Very high93.5Very high45 Ų4578.7 Ų78.746%0.46447%0.47SS..  trans70.9-175.9-161.600000112.3T25T25-G29 VanDerWaalsContact O-CA 3.24Å; T25-G29 WeakPolarHBondContact O-CA 3.46Å; T25-G29 PolarHBondContact O-N 2.89Å
30G91.1Very high92.9Very high70 Ų7077.1 Ų77.172%0.72246%0.459SS*.SBendtrans97.6177.1177.800000114.9T25T25-G30 VanDerWaalsContact CG2-O 3.3Å; T25-G30 WeakPolarHBondContact CG2-O 3.13Å
31G90.6Very high91.9Very high80 Ų8073.5 Ų73.583%0.82544%0.443SS*.  trans-86.8167.8170.800000111.8
32R94.2Very high91.1Very high56 Ų5671.3 Ų71.321%0.21143%0.429CS..  trans-123141.2174-54.3-176.3-57.8119.57.6109.2I22 T25 H64 E66I22-R32 VanDerWaalsContact CG1-NH1 3.33Å; T25-R32 HydrophobicContact CG2-CG 3.67Å; T25-R32 WeakPolarHBondContact OG1-CD 3.31Å; T25-R32 WeakPolarHBondContact OG1-CG 3.23Å; R32-H64 PolarHBondContact NH2-O 2.96Å; R32-H64 VanDerWaalsContact NH2-O 3.1Å; R32-E66 HydrophobicContact CB-CG 4.48Å; R32-E66 WeakPolarHBondContact CB-OE1 3.44Å; R32-E66 IonicContact CZ-OE1 3.76Å; R32-E66 IonicContact CZ-OE2 3.36Å; R32-E66 IonicContact NH1-OE1 3.17Å; R32-E66 PolarHBondContact NH1-OE1 2.89Å; R32-E66 VanDerWaalsContact NH1-OE1 3.17Å; R32-E66 IonicContact NH1-OE2 2.66Å; R32-E66 PolarHBondContact NH1-OE2 3.37Å; R32-E66 IonicContact NH2-OE2 4Å; R32-E66 PolarHBondContact NH2-OE2 3.29Å
33F95.9Very high90.3Very high111 Ų11173.6 Ų73.649%0.48744%0.441SS..EExtended strand (participates in β ladder)trans-149.8117.2178.8-168.9-79000107.8T35 S67 W68 T69F33-T35 HydrophobicContact CD1-CG2 3.85Å; F33-T35 PolarHBondContact O-N 2.96Å; F33-S67 CarbonylContact C-O 3.56Å; F33-S67 WeakPolarHBondContact CA-O 3.19Å; F33-S67 VanDerWaalsContact CE2-CB 3.47Å; F33-W68 VanDerWaalsContact CZ-C 3.5Å; F33-W68 WeakPolarHBondContact CZ-O 3.34Å; F33-T69 HydrophobicContact CE1-CG2 3.81Å; F33-T69 HydrophobicContact CZ-CG2 4.48Å
34L95.6Very high89.2Confident54 Ų5470.4 Ų70.428%0.28344%0.443SS..EExtended strand (participates in β ladder)trans-74.397.2175.9175.662.1000108.8E36 F37 V57 E66 S67 W68 T69L34-E36 VanDerWaalsContact C-N 3.31Å; L34-E36 PolarHBondContact O-N 3.24Å; L34-F37 HydrophobicContact CD2-CB 4.3Å; L34-F37 HydrophobicContact CD2-CD1 3.75Å; L34-F37 HydrophobicContact CD2-CE1 4.4Å; L34-F37 HydrophobicContact CD2-CG 4.16Å; L34-F37 HydrophobicContact CG-CD1 4.12Å; L34-V57 HydrophobicContact CD2-CG1 3.69Å; L34-E66 HydrophobicContact CB-CG 4.49Å; L34-S67 PolarHBondContact N-O 2.85Å; L34-W68 HydrophobicContact CB-CB 3.94Å; L34-W68 HydrophobicContact CD2-CB 4.32Å; L34-W68 HydrophobicContact CG-CB 4.38Å; L34-W68 CarbonylContact O-C 3.53Å; L34-W68 WeakPolarHBondContact O-CA 3.45Å; L34-T69 PolarHBondContact O-N 3.22Å
35T94.9Very high88.4Confident88 Ų8871.2 Ų71.254%0.5444%0.44SS..  trans-73.5-22.1-171.653.40000113.7F33 T69F33-T35 HydrophobicContact CD1-CG2 3.85Å; F33-T35 PolarHBondContact O-N 2.96Å; T35-T69 CarbonylContact C-O 3.6Å; T35-T69 WeakPolarHBondContact O-CG2 3.43Å
36E92.6Very high87.4Confident115 Ų11574.5 Ų74.554%0.53746%0.461SS..  trans-153.4131.6-175.7-57-179.5-171.200110.9L34 W71L34-E36 VanDerWaalsContact C-N 3.31Å; L34-E36 PolarHBondContact O-N 3.24Å; E36-W71 HydrophobicContact CB-CE3 4.11Å; E36-W71 HydrophobicContact CG-CE3 3.63Å; E36-W71 HydrophobicContact CG-CZ3 4.01Å; E36-W71 VanDerWaalsContact OE1-CZ3 3.26Å; E36-W71 WeakPolarHBondContact OE1-CZ3 3.22Å; E36-W71 VanDerWaalsContact OE2-CZ3 3.32Å; E36-W71 WeakPolarHBondContact OE2-CZ3 3.41Å
37F92Very high86.4Confident23 Ų2370.6 Ų70.610%0.10146%0.456CS..  trans-157.3151.1163.166.8-73000107.2L34 V57 L58 W68 F70 W71 F90L34-F37 HydrophobicContact CD2-CB 4.3Å; L34-F37 HydrophobicContact CD2-CD1 3.75Å; L34-F37 HydrophobicContact CD2-CE1 4.4Å; L34-F37 HydrophobicContact CD2-CG 4.16Å; L34-F37 HydrophobicContact CG-CD1 4.12Å; F37-V57 HydrophobicContact CB-CG1 4.1Å; F37-V57 HydrophobicContact CD1-CG1 4.37Å; F37-V57 HydrophobicContact CD2-CB 3.99Å; F37-V57 HydrophobicContact CD2-CG1 3.6Å; F37-V57 HydrophobicContact CD2-CG2 4.45Å; F37-V57 HydrophobicContact CE2-CB 4.37Å; F37-V57 HydrophobicContact CE2-CG1 4.08Å; F37-V57 HydrophobicContact CG-CG1 3.76Å; F37-L58 HydrophobicContact CE2-CD2 4.09Å; F37-L58 HydrophobicContact CE2-CG 4.25Å; F37-L58 HydrophobicContact CZ-CD2 3.7Å; F37-L58 HydrophobicContact CZ-CG 4.36Å; F37-W68 HydrophobicContact CD1-CB 4.47Å; F37-W68 HydrophobicContact CE1-CB 3.8Å; F37-W68 AromaticContact CE1-CD2 3.86Å; F37-W68 HydrophobicContact CE1-CD2 3.86Å; F37-W68 AromaticContact CE1-CE3 3.54Å; F37-W68 HydrophobicContact CE1-CE3 3.54Å; F37-W68 AromaticContact CE1-CG 3.99Å; F37-W68 HydrophobicContact CE1-CG 3.99Å; F37-W68 HydrophobicContact CE1-CZ3 4.39Å; F37-W68 AromaticContact CZ-CD2 3.92Å; F37-W68 HydrophobicContact CZ-CD2 3.92Å; F37-W68 AromaticContact CZ-CE3 3.61Å; F37-W68 HydrophobicContact CZ-CE3 3.61Å; F37-W68 HydrophobicContact CZ-CG 4.35Å; F37-W68 HydrophobicContact CZ-CZ3 4.11Å; F37-F70 HydrophobicContact CD2-CD2 4.14Å; F37-F70 HydrophobicContact CE1-CB 4.26Å; F37-F70 AromaticContact CE2-CD2 3.89Å; F37-F70 HydrophobicContact CE2-CD2 3.89Å; F37-F70 HydrophobicContact CZ-CB 4.22Å; F37-F70 HydrophobicContact CZ-CD2 4.09Å; F37-F70 WeakPolarHBondContact O-CD2 3.37Å; F37-W71 WeakPolarHBondContact O-CB 3.48Å; F37-W71 PolarHBondContact O-N 3.42Å; F37-F90 AromaticContact CE2-CE1 3.71Å; F37-F90 HydrophobicContact CE2-CE1 3.71Å; F37-F90 HydrophobicContact CE2-CZ 4.06Å; F37-F90 AromaticContact CZ-CE1 3.73Å; F37-F90 HydrophobicContact CZ-CE1 3.73Å
38G88.1Confident85.3Confident25 Ų2566.3 Ų66.326%0.25843%0.431SS..  trans169-146.8175.700000113.3C40 F70G38-C40 PolarHBondContact O-N 2.65Å; G38-F70 VanDerWaalsContact CA-CE2 3.42Å
39L81.3Confident84Confident148 Ų14864.7 Ų64.778%0.77542%0.42SS*.SBendtrans57.726.6-164.6-51.8174.2000112N50L39-N50 VanDerWaalsContact O-CB 3.24Å; L39-N50 WeakPolarHBondContact O-CB 3.15Å
40C82.8Confident82.9Confident14 Ų1467 Ų6710%0.09542%0.422CS..  trans-135.7137.7170.536.70000109.9G38 N50 E53 C54G38-C40 PolarHBondContact O-N 2.65Å; C40-N50 VanDerWaalsContact CA-O 3.27Å; C40-N50 WeakPolarHBondContact CA-O 3.46Å; C40-E53 HydrophobicContact CB-CB 4.21Å; C40-C54 HydrophobicContact CB-CB 3.84Å; C40-C54 WeakPolarHBondContact CB-SG 3.29Å; C40-C54 PolarHBondContact O-SG 2.87Å; C40-C54 WeakPolarHBondContact SG-CA 3.37Å; C40-C54 WeakPolarHBondContact SG-CB 3.46Å; C40-C54 PolarHBondContact SG-N 3.04Å; C40-C54 CovalentContact SG-SG 2.02Å; C40-C54 PolarHBondContact SG-SG 3.2Å
41G74.5Confident82Confident14 Ų1464.1 Ų64.114%0.14439%0.391CS..  trans-153.3119.2176.800000109.7D43 N50 T51G41-D43 PolarHBondContact O-N 3.35Å; G41-N50 PolarHBondContact N-O 3.29Å; G41-T51 CarbonylContact C-O 3.59Å; G41-T51 VanDerWaalsContact C-O 3.32Å; G41-T51 VanDerWaalsContact O-CA 3.27Å; G41-T51 WeakPolarHBondContact O-CA 3.29Å; G41-T51 VanDerWaalsContact O-CB 3.3Å; G41-T51 WeakPolarHBondContact O-CB 3.35Å; G41-T51 WeakPolarHBondContact O-CG2 3.49Å
42D78.8Confident81.5Confident16 Ų1661.9 Ų61.99%0.08636%0.36CS..  trans-57.7123.4-175.5-164.1-19000110.2G44 T51 L52 T85D42-G44 WeakPolarHBondContact OD1-CA 3.21Å; D42-G44 PolarHBondContact OD1-N 3Å; D42-T51 VanDerWaalsContact CA-O 3.27Å; D42-T51 WeakPolarHBondContact CA-O 3.43Å; D42-T51 PolarHBondContact N-O 3.42Å; D42-L52 WeakPolarHBondContact OD2-CD2 3.31Å; D42-T85 WeakPolarHBondContact O-CB 3.33Å; D42-T85 PolarHBondContact O-OG1 3.23Å
43D78.1Confident81.1Confident78 Ų7861 Ų6142%0.41736%0.358SS..  trans-105.23.6177.570.8-19.9000112G41 N45 S48 T51G41-D43 PolarHBondContact O-N 3.35Å; D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 WeakPolarHBondContact OD1-CA 3.48Å; D43-N45 WeakPolarHBondContact OD1-CB 3.2Å; D43-N45 PolarHBondContact OD1-N 3.4Å; D43-S48 WeakPolarHBondContact OD2-CB 3.24Å; D43-S48 PolarHBondContact OD2-OG 2.96Å; D43-T51 HydrophobicContact CB-CG2 4.02Å; D43-T51 VanDerWaalsContact CG-CG2 3.47Å; D43-T51 WeakPolarHBondContact OD1-CB 3.38Å; D43-T51 WeakPolarHBondContact OD1-CG2 3.41Å; D43-T51 PolarHBondContact OD1-OG1 2.96Å
44G74Confident80.8Confident54 Ų5455.7 Ų55.756%0.55734%0.335SS*.SBendtrans78.20.9-174.400000114.3D42D42-G44 WeakPolarHBondContact OD1-CA 3.21Å; D42-G44 PolarHBondContact OD1-N 3Å
45N77.3Confident80.5Confident70 Ų7053.6 Ų53.637%0.37432%0.324SS..  trans-107.4111.7177.9179.31.3000110.9D43 S47 S48D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 WeakPolarHBondContact OD1-CA 3.48Å; D43-N45 WeakPolarHBondContact OD1-CB 3.2Å; D43-N45 PolarHBondContact OD1-N 3.4Å; N45-S47 PolarHBondContact O-N 2.85Å; N45-S47 WeakPolarHBondContact OD1-CB 3.32Å; N45-S47 PolarHBondContact OD1-N 3.25Å; N45-S48 WeakPolarHBondContact CB-OG 3.3Å; N45-S48 PolarHBondContact ND2-OG 3.38Å; N45-S48 WeakPolarHBondContact O-CB 3.41Å; N45-S48 PolarHBondContact O-N 2.94Å; N45-S48 VanDerWaalsContact O-N 3.13Å
46P74.3Confident80.3Confident95 Ų9550.2 Ų50.262%0.61730%0.304SS*.THydrogen-bonded Turntrans-70.1-9.2-176.229.2-35.9000114.9L52P46-L52 VanDerWaalsContact CA-CD1 3.47Å; P46-L52 HydrophobicContact CB-CD1 3.83Å
47S74.2Confident80.4Confident91 Ų9146 Ų4664%0.63629%0.287SS*.THydrogen-bonded Turntrans-96.3-14.7177.9-58.80000113.4M1 N45M1-S47 PolarHBondContact N-O 2.89Å; N45-S47 PolarHBondContact O-N 2.85Å; N45-S47 WeakPolarHBondContact OD1-CB 3.32Å; N45-S47 PolarHBondContact OD1-N 3.25Å
48S73.5Confident80.5Confident31 Ų3145 Ų4522%0.21728%0.282CS..SBendtrans-60.7146.8177.3-730000110.4D43 N45 T51D43-S48 WeakPolarHBondContact OD2-CB 3.24Å; D43-S48 PolarHBondContact OD2-OG 2.96Å; N45-S48 WeakPolarHBondContact CB-OG 3.3Å; N45-S48 PolarHBondContact ND2-OG 3.38Å; N45-S48 WeakPolarHBondContact O-CB 3.41Å; N45-S48 PolarHBondContact O-N 2.94Å; N45-S48 VanDerWaalsContact O-N 3.13Å; S48-T51 VanDerWaalsContact CB-CG2 3.44Å; S48-T51 WeakPolarHBondContact CB-OG1 3.43Å
49V68.4Low80.8Confident80 Ų8045.9 Ų45.949%0.48528%0.281SS..SBendtrans-88142.5172.3-1770000106.3M1M1-V49 HydrophobicContact CB-CG1 4.42Å; M1-V49 HydrophobicContact CB-CG2 3.99Å; M1-V49 HydrophobicContact CE-CG1 4.28Å
50N68.2Low81.5Confident93 Ų9339.5 Ų39.550%0.49725%0.247SC..SBendtrans65.440.4175.7-63.4-12.2000113L39 C40 G41 E53L39-N50 VanDerWaalsContact O-CB 3.24Å; L39-N50 WeakPolarHBondContact O-CB 3.15Å; C40-N50 VanDerWaalsContact CA-O 3.27Å; C40-N50 WeakPolarHBondContact CA-O 3.46Å; G41-N50 PolarHBondContact N-O 3.29Å; N50-E53 VanDerWaalsContact C-OE2 3.25Å; N50-E53 WeakPolarHBondContact CA-OE2 3.47Å; N50-E53 VanDerWaalsContact N-CD 3.3Å; N50-E53 PolarHBondContact N-OE1 3.22Å; N50-E53 PolarHBondContact N-OE2 3.37Å
51T72.8Confident82.1Confident10 Ų1039 Ų396%0.06124%0.244CC..SBendtrans-130.1-47.1178.765.20000112.1G41 D42 D43 S48 E53G41-T51 CarbonylContact C-O 3.59Å; G41-T51 VanDerWaalsContact C-O 3.32Å; G41-T51 VanDerWaalsContact O-CA 3.27Å; G41-T51 WeakPolarHBondContact O-CA 3.29Å; G41-T51 VanDerWaalsContact O-CB 3.3Å; G41-T51 WeakPolarHBondContact O-CB 3.35Å; G41-T51 WeakPolarHBondContact O-CG2 3.49Å; D42-T51 VanDerWaalsContact CA-O 3.27Å; D42-T51 WeakPolarHBondContact CA-O 3.43Å; D42-T51 PolarHBondContact N-O 3.42Å; D43-T51 HydrophobicContact CB-CG2 4.02Å; D43-T51 VanDerWaalsContact CG-CG2 3.47Å; D43-T51 WeakPolarHBondContact OD1-CB 3.38Å; D43-T51 WeakPolarHBondContact OD1-CG2 3.41Å; D43-T51 PolarHBondContact OD1-OG1 2.96Å; S48-T51 VanDerWaalsContact CB-CG2 3.44Å; S48-T51 WeakPolarHBondContact CB-OG1 3.43Å; T51-E53 PolarHBondContact N-OE2 3.36Å
52L80.8Confident83.2Confident33 Ų3339 Ų3917%0.17324%0.241CC..SBendtrans-97.2-11.6-178.3-64.7-173.9000114.6D42 P46 C54 N55D42-L52 WeakPolarHBondContact OD2-CD2 3.31Å; P46-L52 VanDerWaalsContact CA-CD1 3.47Å; P46-L52 HydrophobicContact CB-CD1 3.83Å; L52-C54 PolarHBondContact O-N 3.33Å; L52-N55 WeakPolarHBondContact O-CB 3.25Å; L52-N55 PolarHBondContact O-N 2.78Å
53E85.1Confident84Confident37 Ų3743.6 Ų43.617%0.17326%0.26CS..Hα-helixtrans-61.5-30.7-174.3-66.983.7168.200111.8M1 C40 N50 T51 N55 A56 V57M1-E53 HydrophobicContact CE-CG 4.47Å; M1-E53 WeakPolarHBondContact CE-OE1 3.35Å; C40-E53 HydrophobicContact CB-CB 4.21Å; N50-E53 VanDerWaalsContact C-OE2 3.25Å; N50-E53 WeakPolarHBondContact CA-OE2 3.47Å; N50-E53 VanDerWaalsContact N-CD 3.3Å; N50-E53 PolarHBondContact N-OE1 3.22Å; N50-E53 PolarHBondContact N-OE2 3.37Å; T51-E53 PolarHBondContact N-OE2 3.36Å; E53-N55 VanDerWaalsContact C-N 3.29Å; E53-N55 PolarHBondContact O-N 3.46Å; E53-A56 WeakPolarHBondContact O-CB 3.39Å; E53-A56 PolarHBondContact O-N 3Å; E53-V57 PolarHBondContact O-N 3.49Å
54C89.6Confident84.8Confident0 Ų043 Ų430%026%0.255CS..Hα-helixtrans-64.9-32.7176-82.90000112.1C40 L52 A56 V57 L58 F90C40-C54 HydrophobicContact CB-CB 3.84Å; C40-C54 WeakPolarHBondContact CB-SG 3.29Å; C40-C54 PolarHBondContact O-SG 2.87Å; C40-C54 WeakPolarHBondContact SG-CA 3.37Å; C40-C54 WeakPolarHBondContact SG-CB 3.46Å; C40-C54 PolarHBondContact SG-N 3.04Å; C40-C54 CovalentContact SG-SG 2.02Å; C40-C54 PolarHBondContact SG-SG 3.2Å; L52-C54 PolarHBondContact O-N 3.33Å; C54-A56 VanDerWaalsContact C-N 3.3Å; C54-A56 PolarHBondContact O-N 3.36Å; C54-V57 PolarHBondContact O-N 3.43Å; C54-L58 WeakPolarHBondContact O-CB 3.37Å; C54-L58 VanDerWaalsContact O-CG 3.23Å; C54-L58 WeakPolarHBondContact O-CG 3.41Å; C54-L58 PolarHBondContact O-N 3.15Å; C54-F90 HydrophobicContact CB-CE2 3.99Å; C54-F90 HydrophobicContact CB-CZ 3.79Å
55N90.1Very high85.8Confident11 Ų1144.4 Ų44.46%0.05925%0.246CC..Hα-helixtrans-62.4-40.3175.1-71-38.2000111L52 E53 V57 L58 D59 S89 H109L52-N55 WeakPolarHBondContact O-CB 3.25Å; L52-N55 PolarHBondContact O-N 2.78Å; E53-N55 VanDerWaalsContact C-N 3.29Å; E53-N55 PolarHBondContact O-N 3.46Å; N55-V57 VanDerWaalsContact C-N 3.35Å; N55-V57 PolarHBondContact O-N 3.1Å; N55-L58 PolarHBondContact O-N 3.13Å; N55-D59 WeakPolarHBondContact O-CB 3.31Å; N55-D59 PolarHBondContact O-N 2.98Å; N55-S89 WeakPolarHBondContact OD1-CB 3.35Å; N55-S89 PolarHBondContact OD1-OG 3.17Å; N55-H109 VanDerWaalsContact CG-CE1 3.42Å; N55-H109 PolarHBondContact ND2-CE1 3.37Å; N55-H109 VanDerWaalsContact ND2-CE1 3.29Å; N55-H109 PolarHBondContact ND2-NE2 3.29Å
56A90.9Very high86.7Confident16 Ų1642.2 Ų42.213%0.13223%0.233CC..Hα-helixtrans-63.5-40.8176.600000111.9D10 L14 E53 C54 D59 E60D10-A56 HydrophobicContact CB-CB 4.34Å; L14-A56 HydrophobicContact CD2-CB 4.08Å; L14-A56 WeakPolarHBondContact CD2-O 3.4Å; E53-A56 WeakPolarHBondContact O-CB 3.39Å; E53-A56 PolarHBondContact O-N 3Å; C54-A56 VanDerWaalsContact C-N 3.3Å; C54-A56 PolarHBondContact O-N 3.36Å; A56-D59 PolarHBondContact O-N 3.16Å; A56-E60 WeakPolarHBondContact O-CB 3.39Å; A56-E60 PolarHBondContact O-N 2.82Å
57V93.8Very high87.8Confident28 Ų2841 Ų4117%0.1723%0.227CC..Hα-helixtrans-62.9-46.9175.51790000111.3L14 L34 F37 E53 C54 N55 E60 A61L14-V57 HydrophobicContact CD1-CG2 4.37Å; L14-V57 HydrophobicContact CD2-CG2 4.41Å; L34-V57 HydrophobicContact CD2-CG1 3.69Å; F37-V57 HydrophobicContact CB-CG1 4.1Å; F37-V57 HydrophobicContact CD1-CG1 4.37Å; F37-V57 HydrophobicContact CD2-CB 3.99Å; F37-V57 HydrophobicContact CD2-CG1 3.6Å; F37-V57 HydrophobicContact CD2-CG2 4.45Å; F37-V57 HydrophobicContact CE2-CB 4.37Å; F37-V57 HydrophobicContact CE2-CG1 4.08Å; F37-V57 HydrophobicContact CG-CG1 3.76Å; E53-V57 PolarHBondContact O-N 3.49Å; C54-V57 PolarHBondContact O-N 3.43Å; N55-V57 VanDerWaalsContact C-N 3.35Å; N55-V57 PolarHBondContact O-N 3.1Å; V57-E60 PolarHBondContact O-N 2.76Å; V57-A61 WeakPolarHBondContact O-CB 3.21Å; V57-A61 PolarHBondContact O-N 3.09Å
58L94.6Very high88.8Confident1 Ų140 Ų401%0.00521%0.209CC..Hα-helixtrans-63.1-42.3178.6-67.4170.4000111.8F37 C54 N55 E60 A61 D62 W68 F90F37-L58 HydrophobicContact CE2-CD2 4.09Å; F37-L58 HydrophobicContact CE2-CG 4.25Å; F37-L58 HydrophobicContact CZ-CD2 3.7Å; F37-L58 HydrophobicContact CZ-CG 4.36Å; C54-L58 WeakPolarHBondContact O-CB 3.37Å; C54-L58 VanDerWaalsContact O-CG 3.23Å; C54-L58 WeakPolarHBondContact O-CG 3.41Å; C54-L58 PolarHBondContact O-N 3.15Å; N55-L58 PolarHBondContact O-N 3.13Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-A61 PolarHBondContact O-N 3.27Å; L58-D62 PolarHBondContact O-N 3.25Å; L58-W68 HydrophobicContact CD2-CD2 3.87Å; L58-W68 HydrophobicContact CD2-CE3 4.36Å; L58-W68 HydrophobicContact CD2-CG 4.46Å; L58-W68 HydrophobicContact CD2-CH2 3.9Å; L58-W68 HydrophobicContact CD2-CZ2 3.34Å; L58-W68 HydrophobicContact CD2-CZ3 4.37Å; L58-F90 HydrophobicContact CD1-CD1 4.15Å; L58-F90 HydrophobicContact CD1-CD2 4.43Å; L58-F90 HydrophobicContact CD1-CE1 4.3Å; L58-F90 HydrophobicContact CD1-CG 4.24Å; L58-F90 HydrophobicContact CD2-CD1 4.45Å
59D94.5Very high89.8Confident44 Ų4442 Ų4224%0.23522%0.22CC..Hα-helixtrans-65.6-38.1177-69-9.5000111.6N55 A56 K63 R92N55-D59 WeakPolarHBondContact O-CB 3.31Å; N55-D59 PolarHBondContact O-N 2.98Å; A56-D59 PolarHBondContact O-N 3.16Å; D59-K63 VanDerWaalsContact O-CG 3.31Å; D59-K63 WeakPolarHBondContact O-CG 3.37Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact O-N 3.15Å; D59-R92 IonicContact OD1-CZ 3.65Å; D59-R92 IonicContact OD1-NH1 3.7Å; D59-R92 IonicContact OD1-NH2 2.73Å; D59-R92 PolarHBondContact OD1-NH2 2.97Å
60E95.6Very high90.9Very high13 Ų1339.3 Ų39.36%0.06120%0.202CC..Hα-helixtrans-69.3-39.4175-16567.3-167.200111.4L14 T18 A56 V57 L58 D62 K63 H64L14-E60 HydrophobicContact CD1-CB 4.42Å; L14-E60 HydrophobicContact CD1-CG 4.42Å; L14-E60 HydrophobicContact CD2-CB 3.8Å; L14-E60 HydrophobicContact CD2-CG 4.3Å; L14-E60 HydrophobicContact CG-CB 4.03Å; L14-E60 HydrophobicContact CG-CG 4Å; T18-E60 HydrophobicContact CG2-CG 4.3Å; A56-E60 WeakPolarHBondContact O-CB 3.39Å; A56-E60 PolarHBondContact O-N 2.82Å; V57-E60 PolarHBondContact O-N 2.76Å; L58-E60 VanDerWaalsContact C-N 3.34Å; E60-D62 PolarHBondContact O-N 3.15Å; E60-K63 PolarHBondContact O-N 3.49Å; E60-K63 WeakPolarHBondContact OE2-CD 3.42Å; E60-K63 IonicContact OE2-NZ 3.49Å; E60-K63 PolarHBondContact OE2-NZ 3.4Å; E60-H64 PolarHBondContact O-CD2 3.02Å; E60-H64 PolarHBondContact O-N 3.32Å; E60-H64 IonicContact OE1-CD2 2.76Å; E60-H64 PolarHBondContact OE1-CD2 3.37Å; E60-H64 IonicContact OE1-CE1 2.82Å; E60-H64 IonicContact OE1-NE2 3.85Å; E60-H64 PolarHBondContact OE1-NE2 2.9Å
61A96Very high91.8Very high4 Ų441.3 Ų41.33%0.03320%0.203CC..Hα-helixtrans-60.7-44.5174.700000111.7V57 L58 K63 H64 F65 E66V57-A61 WeakPolarHBondContact O-CB 3.21Å; V57-A61 PolarHBondContact O-N 3.09Å; L58-A61 PolarHBondContact O-N 3.27Å; A61-K63 PolarHBondContact O-N 3.3Å; A61-H64 CarbonylContact O-C 3.59Å; A61-H64 PolarHBondContact O-N 2.81Å; A61-F65 PolarHBondContact O-N 3.35Å; A61-F65 VanDerWaalsContact O-N 3.09Å; A61-E66 HydrophobicContact CB-CB 4.49Å; A61-E66 PolarHBondContact O-N 3.47Å
62D96.1Very high92Very high13 Ų1344.7 Ų44.77%0.0722%0.22CC..Hα-helixtrans-59.8-42.9176.3-76.3-16.6000112L58 E60 H64 F65 R92 Q105L58-D62 PolarHBondContact O-N 3.25Å; E60-D62 PolarHBondContact O-N 3.15Å; D62-H64 PolarHBondContact O-N 2.74Å; D62-F65 PolarHBondContact O-N 2.97Å; D62-R92 IonicContact OD2-CZ 3.32Å; D62-R92 VanDerWaalsContact OD2-CZ 3.32Å; D62-R92 IonicContact OD2-NE 3.03Å; D62-R92 PolarHBondContact OD2-NE 3.15Å; D62-R92 IonicContact OD2-NH2 2.74Å; D62-R92 PolarHBondContact OD2-NH2 2.9Å; D62-Q105 HydrophobicContact CB-CG 4.45Å; D62-Q105 PolarHBondContact OD1-NE2 3.25Å
63K95.8Very high91.4Very high113 Ų11345.3 Ų45.349%0.49123%0.234SC..Hα-helixtrans-58.6-34.5178.7-74.4172.2-154.2162.60113.1D59 E60 A61D59-K63 VanDerWaalsContact O-CG 3.31Å; D59-K63 WeakPolarHBondContact O-CG 3.37Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact O-N 3.15Å; E60-K63 PolarHBondContact O-N 3.49Å; E60-K63 WeakPolarHBondContact OE2-CD 3.42Å; E60-K63 IonicContact OE2-NZ 3.49Å; E60-K63 PolarHBondContact OE2-NZ 3.4Å; A61-K63 PolarHBondContact O-N 3.3Å
64H95.7Very high91.2Very high65 Ų6550.7 Ų50.730%0.30125%0.254SS..THydrogen-bonded Turntrans-106.412.4-175.6-59-73.8000113.5T18 I22 R32 E60 A61 D62 E66T18-H64 HydrophobicContact CG2-CB 4.48Å; T18-H64 WeakPolarHBondContact CG2-CD2 3.04Å; I22-H64 HydrophobicContact CD1-CB 4.27Å; I22-H64 WeakPolarHBondContact CD1-ND1 3.36Å; R32-H64 PolarHBondContact NH2-O 2.96Å; R32-H64 VanDerWaalsContact NH2-O 3.1Å; E60-H64 PolarHBondContact O-CD2 3.02Å; E60-H64 PolarHBondContact O-N 3.32Å; E60-H64 IonicContact OE1-CD2 2.76Å; E60-H64 PolarHBondContact OE1-CD2 3.37Å; E60-H64 IonicContact OE1-CE1 2.82Å; E60-H64 IonicContact OE1-NE2 3.85Å; E60-H64 PolarHBondContact OE1-NE2 2.9Å; A61-H64 CarbonylContact O-C 3.59Å; A61-H64 PolarHBondContact O-N 2.81Å; D62-H64 PolarHBondContact O-N 2.74Å; H64-E66 PolarHBondContact O-N 3.2Å
65F95.4Very high91.2Very high84 Ų8453 Ų5337%0.36826%0.264SS..THydrogen-bonded Turntrans50.245.9-178.4-154-123.6000112.5A61 D62 P95 F102 F116A61-F65 PolarHBondContact O-N 3.35Å; A61-F65 VanDerWaalsContact O-N 3.09Å; D62-F65 PolarHBondContact O-N 2.97Å; F65-P95 HydrophobicContact CE2-CG 3.44Å; F65-P95 VanDerWaalsContact CE2-CG 3.44Å; F65-P95 HydrophobicContact CZ-CG 3.7Å; F65-F102 HydrophobicContact CB-CB 4.31Å; F65-F102 HydrophobicContact CB-CD1 3.73Å; F65-F102 HydrophobicContact CB-CD2 3.73Å; F65-F102 HydrophobicContact CB-CE1 3.84Å; F65-F102 HydrophobicContact CB-CE2 3.83Å; F65-F102 HydrophobicContact CB-CG 3.65Å; F65-F102 HydrophobicContact CB-CZ 3.87Å; F65-F102 HydrophobicContact CD1-CB 3.85Å; F65-F102 HydrophobicContact CD1-CD2 4.09Å; F65-F102 HydrophobicContact CD1-CG 4.02Å; F65-F102 HydrophobicContact CD2-CB 4.44Å; F65-F102 AromaticContact CD2-CD2 3.16Å; F65-F102 HydrophobicContact CD2-CD2 3.16Å; F65-F102 AromaticContact CD2-CE2 3.35Å; F65-F102 HydrophobicContact CD2-CE2 3.35Å; F65-F102 AromaticContact CD2-CG 3.88Å; F65-F102 HydrophobicContact CD2-CG 3.88Å; F65-F102 HydrophobicContact CD2-CZ 4.21Å; F65-F102 HydrophobicContact CE1-CB 4.22Å; F65-F102 AromaticContact CE2-CD2 3.67Å; F65-F102 HydrophobicContact CE2-CD2 3.67Å; F65-F102 HydrophobicContact CE2-CE2 4.1Å; F65-F102 HydrophobicContact CG-CB 3.96Å; F65-F102 HydrophobicContact CG-CD1 4.21Å; F65-F102 AromaticContact CG-CD2 3.4Å; F65-F102 HydrophobicContact CG-CD2 3.4Å; F65-F102 VanDerWaalsContact CG-CD2 3.4Å; F65-F102 AromaticContact CG-CE2 3.82Å; F65-F102 HydrophobicContact CG-CE2 3.82Å; F65-F102 AromaticContact CG-CG 3.59Å; F65-F102 HydrophobicContact CG-CG 3.59Å; F65-F102 HydrophobicContact CG-CZ 4.37Å; F65-F102 HydrophobicContact CZ-CD2 4.31Å; F65-F116 HydrophobicContact CE2-CE2 4.02Å; F65-F116 HydrophobicContact CE2-CZ 4.5Å
66E95.6Very high91.2Very high24 Ų2457.4 Ų57.411%0.11229%0.287CS..  trans-104.6119.7-174.9-175.5157-152.200110.4R32 L34 A61 H64R32-E66 HydrophobicContact CB-CG 4.48Å; R32-E66 WeakPolarHBondContact CB-OE1 3.44Å; R32-E66 IonicContact CZ-OE1 3.76Å; R32-E66 IonicContact CZ-OE2 3.36Å; R32-E66 IonicContact NH1-OE1 3.17Å; R32-E66 PolarHBondContact NH1-OE1 2.89Å; R32-E66 VanDerWaalsContact NH1-OE1 3.17Å; R32-E66 IonicContact NH1-OE2 2.66Å; R32-E66 PolarHBondContact NH1-OE2 3.37Å; R32-E66 IonicContact NH2-OE2 4Å; R32-E66 PolarHBondContact NH2-OE2 3.29Å; L34-E66 HydrophobicContact CB-CG 4.49Å; A61-E66 HydrophobicContact CB-CB 4.49Å; A61-E66 PolarHBondContact O-N 3.47Å; H64-E66 PolarHBondContact O-N 3.2Å
67S96.4Very high91.2Very high69 Ų6959.6 Ų59.648%0.48330%0.296SS..EExtended strand (participates in β ladder)trans-69.4156171.5-60.20000111F33 L34F33-S67 CarbonylContact C-O 3.56Å; F33-S67 WeakPolarHBondContact CA-O 3.19Å; F33-S67 VanDerWaalsContact CE2-CB 3.47Å; L34-S67 PolarHBondContact N-O 2.85Å
68W96Very high91Very high72 Ų7267 Ų6727%0.27334%0.335SS..EExtended strand (participates in β ladder)trans-147.4160.5-175.354-98.3000111.9F33 L34 F37 L58 F70 F90F33-W68 VanDerWaalsContact CZ-C 3.5Å; F33-W68 WeakPolarHBondContact CZ-O 3.34Å; L34-W68 HydrophobicContact CB-CB 3.94Å; L34-W68 HydrophobicContact CD2-CB 4.32Å; L34-W68 HydrophobicContact CG-CB 4.38Å; L34-W68 CarbonylContact O-C 3.53Å; L34-W68 WeakPolarHBondContact O-CA 3.45Å; F37-W68 HydrophobicContact CD1-CB 4.47Å; F37-W68 HydrophobicContact CE1-CB 3.8Å; F37-W68 AromaticContact CE1-CD2 3.86Å; F37-W68 HydrophobicContact CE1-CD2 3.86Å; F37-W68 AromaticContact CE1-CE3 3.54Å; F37-W68 HydrophobicContact CE1-CE3 3.54Å; F37-W68 AromaticContact CE1-CG 3.99Å; F37-W68 HydrophobicContact CE1-CG 3.99Å; F37-W68 HydrophobicContact CE1-CZ3 4.39Å; F37-W68 AromaticContact CZ-CD2 3.92Å; F37-W68 HydrophobicContact CZ-CD2 3.92Å; F37-W68 AromaticContact CZ-CE3 3.61Å; F37-W68 HydrophobicContact CZ-CE3 3.61Å; F37-W68 HydrophobicContact CZ-CG 4.35Å; F37-W68 HydrophobicContact CZ-CZ3 4.11Å; L58-W68 HydrophobicContact CD2-CD2 3.87Å; L58-W68 HydrophobicContact CD2-CE3 4.36Å; L58-W68 HydrophobicContact CD2-CG 4.46Å; L58-W68 HydrophobicContact CD2-CH2 3.9Å; L58-W68 HydrophobicContact CD2-CZ2 3.34Å; L58-W68 HydrophobicContact CD2-CZ3 4.37Å; W68-F70 HydrophobicContact CZ3-CB 4.24Å; W68-F90 AromaticContact CH2-CD1 3.83Å; W68-F90 HydrophobicContact CH2-CD1 3.83Å; W68-F90 AromaticContact CZ3-CD1 3.95Å; W68-F90 HydrophobicContact CZ3-CD1 3.95Å; W68-F90 HydrophobicContact CZ3-CE1 4.4Å
69T94.7Very high91Very high71 Ų7170.8 Ų70.844%0.43637%0.366SS..  trans-130.8135.2160.5-171.70000109.2F33 L34 T35F33-T69 HydrophobicContact CE1-CG2 3.81Å; F33-T69 HydrophobicContact CZ-CG2 4.48Å; L34-T69 PolarHBondContact O-N 3.22Å; T35-T69 CarbonylContact C-O 3.6Å; T35-T69 WeakPolarHBondContact O-CG2 3.43Å
70F92.1Very high90.9Very high24 Ų2471.1 Ų71.111%0.10538%0.38CS..  trans-76.5144.9-179.1179.3-119.9000110.2F37 G38 W68 D72 F75 F90F37-F70 HydrophobicContact CD2-CD2 4.14Å; F37-F70 HydrophobicContact CE1-CB 4.26Å; F37-F70 AromaticContact CE2-CD2 3.89Å; F37-F70 HydrophobicContact CE2-CD2 3.89Å; F37-F70 HydrophobicContact CZ-CB 4.22Å; F37-F70 HydrophobicContact CZ-CD2 4.09Å; F37-F70 WeakPolarHBondContact O-CD2 3.37Å; G38-F70 VanDerWaalsContact CA-CE2 3.42Å; W68-F70 HydrophobicContact CZ3-CB 4.24Å; F70-D72 WeakPolarHBondContact CD1-O 3.26Å; F70-D72 WeakPolarHBondContact CE1-O 3.31Å; F70-F75 AromaticContact CD1-CE2 3.69Å; F70-F75 HydrophobicContact CD1-CE2 3.69Å; F70-F75 AromaticContact CD1-CZ 3.56Å; F70-F75 HydrophobicContact CD1-CZ 3.56Å; F70-F75 HydrophobicContact CE1-CE2 4.15Å; F70-F75 AromaticContact CE1-CZ 3.91Å; F70-F75 HydrophobicContact CE1-CZ 3.91Å; F70-F75 HydrophobicContact CG-CZ 4.29Å; F70-F90 HydrophobicContact CB-CD1 4.37Å; F70-F90 HydrophobicContact CB-CE1 3.82Å; F70-F90 HydrophobicContact CD1-CE1 4.16Å; F70-F90 HydrophobicContact CD1-CZ 4.37Å; F70-F90 HydrophobicContact CD2-CD1 4.5Å; F70-F90 AromaticContact CD2-CE1 3.32Å; F70-F90 HydrophobicContact CD2-CE1 3.32Å; F70-F90 AromaticContact CD2-CZ 3.41Å; F70-F90 HydrophobicContact CD2-CZ 3.41Å; F70-F90 VanDerWaalsContact CD2-CZ 3.41Å; F70-F90 HydrophobicContact CE1-CZ 4.38Å; F70-F90 AromaticContact CE2-CE1 3.83Å; F70-F90 HydrophobicContact CE2-CE1 3.83Å; F70-F90 HydrophobicContact CE2-CE2 4.37Å; F70-F90 AromaticContact CE2-CZ 3.37Å; F70-F90 HydrophobicContact CE2-CZ 3.37Å; F70-F90 HydrophobicContact CG-CD1 4.34Å; F70-F90 AromaticContact CG-CE1 3.51Å; F70-F90 HydrophobicContact CG-CE1 3.51Å; F70-F90 AromaticContact CG-CZ 3.93Å; F70-F90 HydrophobicContact CG-CZ 3.93Å; F70-F90 HydrophobicContact CZ-CE1 4.47Å; F70-F90 AromaticContact CZ-CZ 3.91Å; F70-F90 HydrophobicContact CZ-CZ 3.91Å
71W87.6Confident90.8Very high136 Ų13674.7 Ų74.752%0.51540%0.4SS..SBendtrans-81120.4171.9-175-90000109.4E36 F37E36-W71 HydrophobicContact CB-CE3 4.11Å; E36-W71 HydrophobicContact CG-CE3 3.63Å; E36-W71 HydrophobicContact CG-CZ3 4.01Å; E36-W71 VanDerWaalsContact OE1-CZ3 3.26Å; E36-W71 WeakPolarHBondContact OE1-CZ3 3.22Å; E36-W71 VanDerWaalsContact OE2-CZ3 3.32Å; E36-W71 WeakPolarHBondContact OE2-CZ3 3.41Å; F37-W71 WeakPolarHBondContact O-CB 3.48Å; F37-W71 PolarHBondContact O-N 3.42Å
72D76Confident90.6Very high81 Ų8177.7 Ų77.743%0.43342%0.419SS..SBendtrans74.9173.3-174.7-139-39.4000114.6F70 Y74F70-D72 WeakPolarHBondContact CD1-O 3.26Å; F70-D72 WeakPolarHBondContact CE1-O 3.31Å; D72-Y74 HydrophobicContact CB-CD2 3.79Å; D72-Y74 HydrophobicContact CB-CE2 3.71Å; D72-Y74 WeakPolarHBondContact OD2-CE2 3.24Å; D72-Y74 PolarHBondContact OD2-OH 2.71Å; D72-Y74 VanDerWaalsContact OD2-OH 3.08Å
73G69.2Low90.4Very high45 Ų4579.5 Ų79.546%0.46443%0.428SS..  trans-130.335.4-171.800000113.1F75G73-F75 PolarHBondContact O-N 2.91Å
74Y80.9Confident90.1Very high150 Ų15079.9 Ų79.959%0.58843%0.432SS*.THydrogen-bonded Turntrans-68.128.3-177.3-65.2-59.3000115.4D72 I76 I83 Q86D72-Y74 HydrophobicContact CB-CD2 3.79Å; D72-Y74 HydrophobicContact CB-CE2 3.71Å; D72-Y74 WeakPolarHBondContact OD2-CE2 3.24Å; D72-Y74 PolarHBondContact OD2-OH 2.71Å; D72-Y74 VanDerWaalsContact OD2-OH 3.08Å; Y74-I76 PolarHBondContact O-N 2.83Å; Y74-I83 WeakPolarHBondContact O-CD1 3.2Å; Y74-Q86 PolarHBondContact O-OE1 3.31Å
75F88.8Confident89.7Confident49 Ų4979.2 Ų79.222%0.21543%0.432CS..THydrogen-bonded Turntrans-77-6.3177-60.6-69.9000113.7F70 G73 P82 I83 Q86 V87 F90F70-F75 AromaticContact CD1-CE2 3.69Å; F70-F75 HydrophobicContact CD1-CE2 3.69Å; F70-F75 AromaticContact CD1-CZ 3.56Å; F70-F75 HydrophobicContact CD1-CZ 3.56Å; F70-F75 HydrophobicContact CE1-CE2 4.15Å; F70-F75 AromaticContact CE1-CZ 3.91Å; F70-F75 HydrophobicContact CE1-CZ 3.91Å; F70-F75 HydrophobicContact CG-CZ 4.29Å; G73-F75 PolarHBondContact O-N 2.91Å; F75-P82 CarbonylContact O-C 3.57Å; F75-P82 VanDerWaalsContact O-CA 3.3Å; F75-P82 WeakPolarHBondContact O-CA 3.18Å; F75-I83 PolarHBondContact O-N 3.41Å; F75-Q86 HydrophobicContact CD1-CB 4.1Å; F75-Q86 HydrophobicContact CE1-CB 4.45Å; F75-V87 HydrophobicContact CB-CG2 4.24Å; F75-V87 HydrophobicContact CD1-CG2 4.42Å; F75-F90 HydrophobicContact CE1-CB 3.69Å; F75-F90 HydrophobicContact CE1-CD1 4.09Å; F75-F90 AromaticContact CE1-CD2 3.6Å; F75-F90 HydrophobicContact CE1-CD2 3.6Å; F75-F90 HydrophobicContact CE1-CE2 4.2Å; F75-F90 AromaticContact CE1-CG 3.51Å; F75-F90 HydrophobicContact CE1-CG 3.51Å; F75-F90 HydrophobicContact CZ-CB 4.05Å; F75-F90 AromaticContact CZ-CD1 3.78Å; F75-F90 HydrophobicContact CZ-CD1 3.78Å; F75-F90 HydrophobicContact CZ-CD2 4.1Å; F75-F90 HydrophobicContact CZ-CE1 4.21Å; F75-F90 HydrophobicContact CZ-CE2 4.48Å; F75-F90 AromaticContact CZ-CG 3.7Å; F75-F90 HydrophobicContact CZ-CG 3.7Å
76I90.7Very high89.3Confident103 Ų10376.6 Ų76.653%0.52842%0.421SS..BIsolated β-bridgetrans-124.9133.6-173.1-53.7-175.3000109.2Y74 N81Y74-I76 PolarHBondContact O-N 2.83Å; I76-N81 CarbonylContact C-O 3.57Å; I76-N81 WeakPolarHBondContact CA-O 3.48Å
77D89.8Confident89.2Confident63 Ų6376.6 Ų76.634%0.33742%0.423SS..  trans-76.7174.3175.472.717.3000112.5A79 G80 N81 I83D77-A79 PolarHBondContact O-N 3.2Å; D77-A79 VanDerWaalsContact OD1-C 3.29Å; D77-A79 VanDerWaalsContact OD1-CA 3.27Å; D77-A79 WeakPolarHBondContact OD1-CA 3.32Å; D77-A79 WeakPolarHBondContact OD1-CB 3.46Å; D77-A79 PolarHBondContact OD1-N 3.36Å; D77-G80 PolarHBondContact O-N 2.86Å; D77-G80 PolarHBondContact OD1-N 3.19Å; D77-N81 PolarHBondContact N-O 2.95Å; D77-N81 PolarHBondContact OD1-N 3.36Å; D77-N81 WeakPolarHBondContact OD2-CB 3.5Å; D77-I83 HydrophobicContact CB-CG1 4.14Å
78N90.5Very high88.9Confident183 Ų18378 Ų7898%0.97942%0.418SS*.THydrogen-bonded Turntrans-63-15179.7-66.4-27.7000113.9
79A93.9Very high88.6Confident80 Ų8074.6 Ų74.666%0.66141%0.405SS*.THydrogen-bonded Turntrans-96.61.9176.900000112.7D77 N81D77-A79 PolarHBondContact O-N 3.2Å; D77-A79 VanDerWaalsContact OD1-C 3.29Å; D77-A79 VanDerWaalsContact OD1-CA 3.27Å; D77-A79 WeakPolarHBondContact OD1-CA 3.32Å; D77-A79 WeakPolarHBondContact OD1-CB 3.46Å; D77-A79 PolarHBondContact OD1-N 3.36Å; A79-N81 WeakPolarHBondContact CB-ND2 3.4Å
80G92Very high88.5Confident52 Ų5271.9 Ų71.954%0.53639%0.387SS..SBendtrans85.28.8-179.700000114.3D77D77-G80 PolarHBondContact O-N 2.86Å; D77-G80 PolarHBondContact OD1-N 3.19Å
81N94.1Very high88.6Confident88 Ų8872.5 Ų72.547%0.47139%0.391SS..  trans-92.9147.7-179.9-52.8-69.9000111.6I76 D77 A79 I83I76-N81 CarbonylContact C-O 3.57Å; I76-N81 WeakPolarHBondContact CA-O 3.48Å; D77-N81 PolarHBondContact N-O 2.95Å; D77-N81 PolarHBondContact OD1-N 3.36Å; D77-N81 WeakPolarHBondContact OD2-CB 3.5Å; A79-N81 WeakPolarHBondContact CB-ND2 3.4Å; N81-I83 PolarHBondContact O-N 2.94Å
82P92.4Very high89Confident67 Ų6766.5 Ų66.544%0.43537%0.368SS..BIsolated β-bridgetrans-67.3130.6176.6-12.725.3000112F75 Q84 V87F75-P82 CarbonylContact O-C 3.57Å; F75-P82 VanDerWaalsContact O-CA 3.3Å; F75-P82 WeakPolarHBondContact O-CA 3.18Å; P82-Q84 PolarHBondContact O-N 3.2Å; P82-Q84 PolarHBondContact O-NE2 3.1Å; P82-V87 HydrophobicContact CB-CG2 3.83Å
83I90.7Very high90.1Very high51 Ų5162.6 Ų62.626%0.26235%0.347SS..  trans-73.297.4171.9-55-177.1000107.9Y74 F75 D77 N81 T85 Q86 V87Y74-I83 WeakPolarHBondContact O-CD1 3.2Å; F75-I83 PolarHBondContact O-N 3.41Å; D77-I83 HydrophobicContact CB-CG1 4.14Å; N81-I83 PolarHBondContact O-N 2.94Å; I83-T85 VanDerWaalsContact C-N 3.29Å; I83-T85 PolarHBondContact O-N 3.1Å; I83-T85 VanDerWaalsContact O-N 3.17Å; I83-Q86 HydrophobicContact CB-CB 4.4Å; I83-Q86 HydrophobicContact CB-CG 4.38Å; I83-Q86 HydrophobicContact CG2-CB 4.33Å; I83-Q86 HydrophobicContact CG2-CG 3.91Å; I83-Q86 PolarHBondContact O-N 2.93Å; I83-Q86 VanDerWaalsContact O-N 3.1Å; I83-V87 WeakPolarHBondContact O-CG2 3.3Å; I83-V87 PolarHBondContact O-N 2.88Å
84Q89.7Confident91.5Very high120 Ų12065.3 Ų65.356%0.56134%0.344SS*.Hα-helixtrans-55.6-39.1-166.1-66-59.1-4400114.3P82 R88P82-Q84 PolarHBondContact O-N 3.2Å; P82-Q84 PolarHBondContact O-NE2 3.1Å; Q84-R88 WeakPolarHBondContact O-CB 3.44Å; Q84-R88 PolarHBondContact O-N 2.84Å
85T87.1Confident92.3Very high52 Ų5258.9 Ų58.932%0.31932%0.321SS..Hα-helixtrans-63.8-46.6179.148.20000111.6D42 I83 R88 S89D42-T85 WeakPolarHBondContact O-CB 3.33Å; D42-T85 PolarHBondContact O-OG1 3.23Å; I83-T85 VanDerWaalsContact C-N 3.29Å; I83-T85 PolarHBondContact O-N 3.1Å; I83-T85 VanDerWaalsContact O-N 3.17Å; T85-R88 PolarHBondContact O-N 2.91Å; T85-S89 PolarHBondContact O-N 2.99Å
86Q88.2Confident92.7Very high28 Ų2861 Ų6113%0.13133%0.332CS..Hα-helixtrans-67-45.3177.1-61.7-172.426.500111.7Y74 F75 I83 R88 S89 F90Y74-Q86 PolarHBondContact O-OE1 3.31Å; F75-Q86 HydrophobicContact CD1-CB 4.1Å; F75-Q86 HydrophobicContact CE1-CB 4.45Å; I83-Q86 HydrophobicContact CB-CB 4.4Å; I83-Q86 HydrophobicContact CB-CG 4.38Å; I83-Q86 HydrophobicContact CG2-CB 4.33Å; I83-Q86 HydrophobicContact CG2-CG 3.91Å; I83-Q86 PolarHBondContact O-N 2.93Å; I83-Q86 VanDerWaalsContact O-N 3.1Å; Q86-R88 VanDerWaalsContact C-N 3.32Å; Q86-R88 PolarHBondContact O-N 2.93Å; Q86-S89 PolarHBondContact O-N 3.31Å; Q86-F90 WeakPolarHBondContact O-CD2 3.47Å; Q86-F90 PolarHBondContact O-N 3.38Å; Q86-F90 VanDerWaalsContact O-N 3.12Å
87V91.6Very high93Very high25 Ų2558.4 Ų58.415%0.15232%0.322CS..Hα-helixtrans-59.4-45.1178.2172.10000110.7F75 P82 I83 S89 F90 I91 V143F75-V87 HydrophobicContact CB-CG2 4.24Å; F75-V87 HydrophobicContact CD1-CG2 4.42Å; P82-V87 HydrophobicContact CB-CG2 3.83Å; I83-V87 WeakPolarHBondContact O-CG2 3.3Å; I83-V87 PolarHBondContact O-N 2.88Å; V87-S89 VanDerWaalsContact C-N 3.3Å; V87-S89 PolarHBondContact O-N 2.66Å; V87-F90 PolarHBondContact O-N 3.3Å; V87-I91 HydrophobicContact CG1-CG2 4.26Å; V87-I91 VanDerWaalsContact O-CB 3.28Å; V87-I91 WeakPolarHBondContact O-CB 3.21Å; V87-I91 WeakPolarHBondContact O-CG2 3.47Å; V87-I91 PolarHBondContact O-N 3.46Å; V87-V143 HydrophobicContact CG1-CG1 4.38Å; V87-V143 HydrophobicContact CG1-CG2 4.15Å
88R91.6Very high93.2Very high98 Ų9857.3 Ų57.337%0.3732%0.318SS..Hα-helixtrans-62-36.5179.4-173.9178.8178.6165.21.1112.7Q84 T85 Q86 H109 E110 V143 H144Q84-R88 WeakPolarHBondContact O-CB 3.44Å; Q84-R88 PolarHBondContact O-N 2.84Å; T85-R88 PolarHBondContact O-N 2.91Å; Q86-R88 VanDerWaalsContact C-N 3.32Å; Q86-R88 PolarHBondContact O-N 2.93Å; R88-H109 PolarHBondContact NE-O 3Å; R88-E110 PolarHBondContact NH2-O 3.09Å; R88-V143 HydrophobicContact CB-CG1 4.3Å; R88-H144 WeakPolarHBondContact CG-CE1 3.24Å; R88-H144 PolarHBondContact O-CE1 3.35Å; R88-H144 PolarHBondContact O-NE2 3.17Å
89S89.3Confident93.4Very high0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-67.7-44.8177.5162.40000112.4N55 T85 Q86 V87N55-S89 WeakPolarHBondContact OD1-CB 3.35Å; N55-S89 PolarHBondContact OD1-OG 3.17Å; T85-S89 PolarHBondContact O-N 2.99Å; Q86-S89 PolarHBondContact O-N 3.31Å; V87-S89 VanDerWaalsContact C-N 3.3Å; V87-S89 PolarHBondContact O-N 2.66Å
90F92.7Very high93.4Very high14 Ų1448 Ų486%0.06126%0.262CS..Hα-helixtrans-89.6-29.4-172.6-82.4-99.8000114.9F37 C54 L58 W68 F70 F75 Q86 V87 R92F37-F90 AromaticContact CE2-CE1 3.71Å; F37-F90 HydrophobicContact CE2-CE1 3.71Å; F37-F90 HydrophobicContact CE2-CZ 4.06Å; F37-F90 AromaticContact CZ-CE1 3.73Å; F37-F90 HydrophobicContact CZ-CE1 3.73Å; C54-F90 HydrophobicContact CB-CE2 3.99Å; C54-F90 HydrophobicContact CB-CZ 3.79Å; L58-F90 HydrophobicContact CD1-CD1 4.15Å; L58-F90 HydrophobicContact CD1-CD2 4.43Å; L58-F90 HydrophobicContact CD1-CE1 4.3Å; L58-F90 HydrophobicContact CD1-CG 4.24Å; L58-F90 HydrophobicContact CD2-CD1 4.45Å; W68-F90 AromaticContact CH2-CD1 3.83Å; W68-F90 HydrophobicContact CH2-CD1 3.83Å; W68-F90 AromaticContact CZ3-CD1 3.95Å; W68-F90 HydrophobicContact CZ3-CD1 3.95Å; W68-F90 HydrophobicContact CZ3-CE1 4.4Å; F70-F90 HydrophobicContact CB-CD1 4.37Å; F70-F90 HydrophobicContact CB-CE1 3.82Å; F70-F90 HydrophobicContact CD1-CE1 4.16Å; F70-F90 HydrophobicContact CD1-CZ 4.37Å; F70-F90 HydrophobicContact CD2-CD1 4.5Å; F70-F90 AromaticContact CD2-CE1 3.32Å; F70-F90 HydrophobicContact CD2-CE1 3.32Å; F70-F90 AromaticContact CD2-CZ 3.41Å; F70-F90 HydrophobicContact CD2-CZ 3.41Å; F70-F90 VanDerWaalsContact CD2-CZ 3.41Å; F70-F90 HydrophobicContact CE1-CZ 4.38Å; F70-F90 AromaticContact CE2-CE1 3.83Å; F70-F90 HydrophobicContact CE2-CE1 3.83Å; F70-F90 HydrophobicContact CE2-CE2 4.37Å; F70-F90 AromaticContact CE2-CZ 3.37Å; F70-F90 HydrophobicContact CE2-CZ 3.37Å; F70-F90 HydrophobicContact CG-CD1 4.34Å; F70-F90 AromaticContact CG-CE1 3.51Å; F70-F90 HydrophobicContact CG-CE1 3.51Å; F70-F90 AromaticContact CG-CZ 3.93Å; F70-F90 HydrophobicContact CG-CZ 3.93Å; F70-F90 HydrophobicContact CZ-CE1 4.47Å; F70-F90 AromaticContact CZ-CZ 3.91Å; F70-F90 HydrophobicContact CZ-CZ 3.91Å; F75-F90 HydrophobicContact CE1-CB 3.69Å; F75-F90 HydrophobicContact CE1-CD1 4.09Å; F75-F90 AromaticContact CE1-CD2 3.6Å; F75-F90 HydrophobicContact CE1-CD2 3.6Å; F75-F90 HydrophobicContact CE1-CE2 4.2Å; F75-F90 AromaticContact CE1-CG 3.51Å; F75-F90 HydrophobicContact CE1-CG 3.51Å; F75-F90 HydrophobicContact CZ-CB 4.05Å; F75-F90 AromaticContact CZ-CD1 3.78Å; F75-F90 HydrophobicContact CZ-CD1 3.78Å; F75-F90 HydrophobicContact CZ-CD2 4.1Å; F75-F90 HydrophobicContact CZ-CE1 4.21Å; F75-F90 HydrophobicContact CZ-CE2 4.48Å; F75-F90 AromaticContact CZ-CG 3.7Å; F75-F90 HydrophobicContact CZ-CG 3.7Å; Q86-F90 WeakPolarHBondContact O-CD2 3.47Å; Q86-F90 PolarHBondContact O-N 3.38Å; Q86-F90 VanDerWaalsContact O-N 3.12Å; V87-F90 PolarHBondContact O-N 3.3Å; F90-R92 PolarHBondContact O-N 3.23Å
91I94.1Very high93.5Very high38 Ų3853.7 Ų53.720%0.19527%0.267CS..  trans-79.2113.2176.3-152.4178000108.2V87 Y138 P140 V143 H144V87-I91 HydrophobicContact CG1-CG2 4.26Å; V87-I91 VanDerWaalsContact O-CB 3.28Å; V87-I91 WeakPolarHBondContact O-CB 3.21Å; V87-I91 WeakPolarHBondContact O-CG2 3.47Å; V87-I91 PolarHBondContact O-N 3.46Å; I91-Y138 HydrophobicContact CG1-CE1 4.14Å; I91-P140 HydrophobicContact CD1-CB 3.73Å; I91-P140 HydrophobicContact CG1-CB 3.76Å; I91-P140 HydrophobicContact CG1-CG 4.48Å; I91-P140 HydrophobicContact CG2-CB 4.22Å; I91-V143 HydrophobicContact CD1-CB 4.47Å; I91-V143 HydrophobicContact CD1-CG2 3.89Å; I91-V143 HydrophobicContact CG2-CB 3.67Å; I91-V143 HydrophobicContact CG2-CG1 3.49Å; I91-V143 VanDerWaalsContact CG2-CG1 3.49Å; I91-V143 HydrophobicContact CG2-CG2 3.96Å; I91-H144 PolarHBondContact O-CD2 3.12Å; I91-H144 PolarHBondContact O-NE2 2.86Å
92R96.6Very high93.7Very high9 Ų951.6 Ų51.63%0.03425%0.254CS..  trans-127.8147.2-173.2-54.8171.381.792.7-8.2108.5D59 D62 F90 Y94 F107 Y138D59-R92 IonicContact OD1-CZ 3.65Å; D59-R92 IonicContact OD1-NH1 3.7Å; D59-R92 IonicContact OD1-NH2 2.73Å; D59-R92 PolarHBondContact OD1-NH2 2.97Å; D62-R92 IonicContact OD2-CZ 3.32Å; D62-R92 VanDerWaalsContact OD2-CZ 3.32Å; D62-R92 IonicContact OD2-NE 3.03Å; D62-R92 PolarHBondContact OD2-NE 3.15Å; D62-R92 IonicContact OD2-NH2 2.74Å; D62-R92 PolarHBondContact OD2-NH2 2.9Å; F90-R92 PolarHBondContact O-N 3.23Å; R92-Y94 WeakPolarHBondContact O-CD1 3.33Å; R92-F107 HydrophobicContact CB-CD1 3.74Å; R92-F107 HydrophobicContact CB-CE1 4Å; R92-F107 HydrophobicContact CB-CG 4.45Å; R92-F107 HydrophobicContact CG-CD1 3.61Å; R92-F107 HydrophobicContact CG-CE1 3.82Å; R92-Y138 WeakPolarHBondContact O-CD1 3.47Å
93P97.9Very high93.9Very high0 Ų051.6 Ų51.60%025%0.252CS..  trans-62.7137.1158.927.6-31.3000109.4F107 Y114 Y138P93-F107 VanDerWaalsContact CD-CD2 3.48Å; P93-F107 VanDerWaalsContact CD-CZ 3.49Å; P93-F107 HydrophobicContact CG-CD2 3.52Å; P93-F107 HydrophobicContact CG-CE2 3.65Å; P93-F107 HydrophobicContact CG-CG 4.1Å; P93-F107 HydrophobicContact CG-CZ 4.32Å; P93-Y114 HydrophobicContact CB-CD1 3.81Å; P93-Y114 HydrophobicContact CB-CD2 4.2Å; P93-Y114 HydrophobicContact CB-CE1 4.02Å; P93-Y114 HydrophobicContact CB-CE2 4.37Å; P93-Y114 HydrophobicContact CB-CG 3.89Å; P93-Y114 HydrophobicContact CG-CD1 3.89Å; P93-Y114 HydrophobicContact CG-CD2 3.58Å; P93-Y114 HydrophobicContact CG-CE1 4.42Å; P93-Y114 HydrophobicContact CG-CE2 4.14Å; P93-Y114 HydrophobicContact CG-CG 3.41Å; P93-Y114 VanDerWaalsContact CG-CG 3.41Å; P93-Y114 WeakPolarHBondContact O-CE2 3.16Å; P93-Y138 WeakPolarHBondContact CA-O 3.28Å
94Y97.9Very high94.3Very high102 Ų10254.3 Ų54.340%0.426%0.262SS..EExtended strand (participates in β ladder)trans-156.9150178.672.2-83.4000110.8R92 Q96 I137 Y138R92-Y94 WeakPolarHBondContact O-CD1 3.33Å; Y94-Q96 HydrophobicContact CD2-CG 4.34Å; Y94-Q96 HydrophobicContact CE2-CB 4.42Å; Y94-Q96 HydrophobicContact CE2-CG 3.67Å; Y94-Q96 PolarHBondContact O-N 2.96Å; Y94-I137 WeakPolarHBondContact O-CA 3.21Å; Y94-Y138 AromaticContact CD1-CD1 3.86Å; Y94-Y138 HydrophobicContact CD1-CD1 3.86Å; Y94-Y138 HydrophobicContact CD1-CG 4.3Å; Y94-Y138 AromaticContact CE1-CD1 3.54Å; Y94-Y138 HydrophobicContact CE1-CD1 3.54Å; Y94-Y138 HydrophobicContact CE1-CE1 4.46Å; Y94-Y138 AromaticContact CE1-CG 3.8Å; Y94-Y138 HydrophobicContact CE1-CG 3.8Å; Y94-Y138 PolarHBondContact N-O 3.27Å; Y94-Y138 PolarHBondContact O-N 3.49Å
95P98Very high94.7Very high15 Ų1549.2 Ų49.210%0.09724%0.238CC..EExtended strand (participates in β ladder)trans-73.6118.2173.731.5-31.9000109.5F65 T98 Y114 F116 E136 I137F65-P95 HydrophobicContact CE2-CG 3.44Å; F65-P95 VanDerWaalsContact CE2-CG 3.44Å; F65-P95 HydrophobicContact CZ-CG 3.7Å; P95-T98 HydrophobicContact CB-CG2 3.81Å; P95-Y114 WeakPolarHBondContact CD-OH 3.47Å; P95-F116 HydrophobicContact CB-CE1 3.95Å; P95-F116 HydrophobicContact CB-CE2 4.42Å; P95-F116 HydrophobicContact CB-CZ 3.86Å; P95-F116 HydrophobicContact CG-CD2 4.34Å; P95-F116 HydrophobicContact CG-CE1 4.18Å; P95-F116 HydrophobicContact CG-CE2 3.76Å; P95-F116 HydrophobicContact CG-CZ 3.67Å; P95-E136 CarbonylContact C-O 2.91Å; P95-I137 HydrophobicContact CB-CG1 4.36Å
96Q97.3Very high95.2Very high94 Ų9450.7 Ų50.744%0.43924%0.242SC..EExtended strand (participates in β ladder)trans-74.9-34.7171.6-59.3-172.8-78.800110.7Y94 E136Y94-Q96 HydrophobicContact CD2-CG 4.34Å; Y94-Q96 HydrophobicContact CE2-CB 4.42Å; Y94-Q96 HydrophobicContact CE2-CG 3.67Å; Y94-Q96 PolarHBondContact O-N 2.96Å; Q96-E136 PolarHBondContact N-O 2.88Å
97S96.7Very high95.6Very high47 Ų4749.4 Ų49.433%0.32924%0.235SC..EExtended strand (participates in β ladder)trans-146.9143.5175.874.50000110.6A135 E136S97-A135 VanDerWaalsContact O-CA 3.26Å; S97-A135 WeakPolarHBondContact O-CA 3.41Å; S97-E136 PolarHBondContact N-O 3.31Å; S97-E136 PolarHBondContact O-N 3.31Å; S97-E136 WeakPolarHBondContact OG-CB 3.43Å; S97-E136 PolarHBondContact OG-N 2.93Å; S97-E136 PolarHBondContact OG-OE2 3.44Å
98T95.2Very high95.8Very high40 Ų4050.6 Ų50.625%0.24524%0.241CC..EExtended strand (participates in β ladder)trans-140.4136.2169.653.70000111.2P95 G100 F116 F118 I134 A135P95-T98 HydrophobicContact CB-CG2 3.81Å; T98-G100 PolarHBondContact O-N 2.73Å; T98-F116 HydrophobicContact CG2-CE1 3.66Å; T98-F116 HydrophobicContact CG2-CZ 3.57Å; T98-F118 HydrophobicContact CG2-CD1 4.43Å; T98-F118 HydrophobicContact CG2-CG 4.42Å; T98-I134 CarbonylContact C-O 3.59Å; T98-I134 WeakPolarHBondContact CA-O 3.35Å; T98-A135 HydrophobicContact CG2-CB 4.12Å
99N93.5Very high95.8Very high50 Ų5046.9 Ų46.927%0.26723%0.228SC..SBendtrans-94.374.4170-171.91.5000110.8T120 N121 L123 I134N99-T120 WeakPolarHBondContact O-CA 3.45Å; N99-N121 PolarHBondContact O-N 3.09Å; N99-N121 VanDerWaalsContact O-N 3.11Å; N99-N121 PolarHBondContact OD1-ND2 3.36Å; N99-N121 VanDerWaalsContact OD1-ND2 3.12Å; N99-L123 WeakPolarHBondContact ND2-CD2 3.5Å; N99-I134 PolarHBondContact N-O 3.21Å
100G94.1Very high95.8Very high19 Ų1953.3 Ų53.320%0.19626%0.258CS..EExtended strand (participates in β ladder)trans173.1-168.6-177.500000112.8T98 I119 N121T98-G100 PolarHBondContact O-N 2.73Å; G100-I119 CarbonylContact C-O 3.5Å; G100-I119 WeakPolarHBondContact CA-O 3.47Å; G100-N121 PolarHBondContact N-ND2 3.12Å
101R95.4Very high95.9Very high170 Ų17055.8 Ų55.864%0.64227%0.274SS*.EExtended strand (participates in β ladder)trans-105.7124.6176.3-170.2-178.573.2-173.21.1110.1F118 I119R101-F118 CarbonylContact O-C 3.58Å; R101-F118 VanDerWaalsContact O-CA 3.25Å; R101-F118 WeakPolarHBondContact O-CA 3.5Å; R101-F118 WeakPolarHBondContact O-CB 3.47Å; R101-I119 PolarHBondContact N-O 3.01Å; R101-I119 PolarHBondContact O-N 2.73Å
102F97.1Very high96Very high45 Ų4554 Ų5420%0.19727%0.265CS..EExtended strand (participates in β ladder)trans-49.2141.9170.8173.8-100.3000112.6F65 K104 Q105 F116F65-F102 HydrophobicContact CB-CB 4.31Å; F65-F102 HydrophobicContact CB-CD1 3.73Å; F65-F102 HydrophobicContact CB-CD2 3.73Å; F65-F102 HydrophobicContact CB-CE1 3.84Å; F65-F102 HydrophobicContact CB-CE2 3.83Å; F65-F102 HydrophobicContact CB-CG 3.65Å; F65-F102 HydrophobicContact CB-CZ 3.87Å; F65-F102 HydrophobicContact CD1-CB 3.85Å; F65-F102 HydrophobicContact CD1-CD2 4.09Å; F65-F102 HydrophobicContact CD1-CG 4.02Å; F65-F102 HydrophobicContact CD2-CB 4.44Å; F65-F102 AromaticContact CD2-CD2 3.16Å; F65-F102 HydrophobicContact CD2-CD2 3.16Å; F65-F102 AromaticContact CD2-CE2 3.35Å; F65-F102 HydrophobicContact CD2-CE2 3.35Å; F65-F102 AromaticContact CD2-CG 3.88Å; F65-F102 HydrophobicContact CD2-CG 3.88Å; F65-F102 HydrophobicContact CD2-CZ 4.21Å; F65-F102 HydrophobicContact CE1-CB 4.22Å; F65-F102 AromaticContact CE2-CD2 3.67Å; F65-F102 HydrophobicContact CE2-CD2 3.67Å; F65-F102 HydrophobicContact CE2-CE2 4.1Å; F65-F102 HydrophobicContact CG-CB 3.96Å; F65-F102 HydrophobicContact CG-CD1 4.21Å; F65-F102 AromaticContact CG-CD2 3.4Å; F65-F102 HydrophobicContact CG-CD2 3.4Å; F65-F102 VanDerWaalsContact CG-CD2 3.4Å; F65-F102 AromaticContact CG-CE2 3.82Å; F65-F102 HydrophobicContact CG-CE2 3.82Å; F65-F102 AromaticContact CG-CG 3.59Å; F65-F102 HydrophobicContact CG-CG 3.59Å; F65-F102 HydrophobicContact CG-CZ 4.37Å; F65-F102 HydrophobicContact CZ-CD2 4.31Å; F102-K104 VanDerWaalsContact CE2-C 3.41Å; F102-K104 VanDerWaalsContact CZ-CA 3.44Å; F102-Q105 HydrophobicContact CE2-CB 3.73Å; F102-Q105 HydrophobicContact CZ-CB 4.26Å; F102-F116 AromaticContact CD2-CE2 3.99Å; F102-F116 HydrophobicContact CD2-CE2 3.99Å; F102-F116 HydrophobicContact CE2-CE2 4.31Å
103V97.9Very high96Very high66 Ų6658.1 Ų58.140%0.429%0.285SS..EExtended strand (participates in β ladder)trans-118.9-58.7171.2177.70000110.8S117 I119 L181V103-S117 WeakPolarHBondContact CB-O 3.39Å; V103-S117 PolarHBondContact N-O 2.81Å; V103-I119 HydrophobicContact CG2-CD1 3.97Å; V103-I119 HydrophobicContact CG2-CG1 3.8Å; V103-L181 HydrophobicContact CG2-CD1 4.24Å
104K97.8Very high96.1Very high108 Ų10858.1 Ų58.147%0.4729%0.285SS..EExtended strand (participates in β ladder)trans-157.2152.1177.956171.2-179.1178.80110.9F102 S117 E183F102-K104 VanDerWaalsContact CE2-C 3.41Å; F102-K104 VanDerWaalsContact CZ-CA 3.44Å; K104-S117 WeakPolarHBondContact CE-OG 3.38Å; K104-S117 WeakPolarHBondContact CG-OG 3.26Å; K104-S117 PolarHBondContact N-O 3.34Å; K104-S117 PolarHBondContact N-OG 2.93Å; K104-S117 PolarHBondContact O-N 3.42Å; K104-S117 PolarHBondContact O-OG 2.84Å; K104-E183 IonicContact NZ-OE1 3.43Å
105Q97.9Very high96.1Very high13 Ų1354.5 Ų54.56%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-139.7145.2168.9179.2175.4-46.600109D62 F102 Y114 S115 F116D62-Q105 HydrophobicContact CB-CG 4.45Å; D62-Q105 PolarHBondContact OD1-NE2 3.25Å; F102-Q105 HydrophobicContact CE2-CB 3.73Å; F102-Q105 HydrophobicContact CZ-CB 4.26Å; Q105-Y114 HydrophobicContact CG-CE2 3.52Å; Q105-Y114 PolarHBondContact OE1-OH 3.43Å; Q105-S115 CarbonylContact C-O 3.4Å; Q105-S115 WeakPolarHBondContact CA-O 3.33Å; Q105-F116 HydrophobicContact CB-CD2 4.02Å; Q105-F116 HydrophobicContact CG-CD2 4.31Å
106H97.5Very high96.1Very high84 Ų8454 Ų5439%0.38927%0.27SS..EExtended strand (participates in β ladder)trans-150.2137.7168.6179.461.2000110.2Y114 S115H106-Y114 WeakPolarHBondContact O-CA 3.13Å; H106-Y114 VanDerWaalsContact O-CD2 3.25Å; H106-Y114 WeakPolarHBondContact O-CD2 3.35Å; H106-S115 PolarHBondContact N-O 3.1Å; H106-S115 PolarHBondContact O-N 2.86Å
107F97.5Very high96.2Very high0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-129.2132.3172.7178.6-124.1000110.4R92 P93 H109 E113 Y114 H144R92-F107 HydrophobicContact CB-CD1 3.74Å; R92-F107 HydrophobicContact CB-CE1 4Å; R92-F107 HydrophobicContact CB-CG 4.45Å; R92-F107 HydrophobicContact CG-CD1 3.61Å; R92-F107 HydrophobicContact CG-CE1 3.82Å; P93-F107 VanDerWaalsContact CD-CD2 3.48Å; P93-F107 VanDerWaalsContact CD-CZ 3.49Å; P93-F107 HydrophobicContact CG-CD2 3.52Å; P93-F107 HydrophobicContact CG-CE2 3.65Å; P93-F107 HydrophobicContact CG-CG 4.1Å; P93-F107 HydrophobicContact CG-CZ 4.32Å; F107-H109 HydrophobicContact CD1-CB 4.29Å; F107-H109 HydrophobicContact CE1-CB 3.66Å; F107-H109 HydrophobicContact CZ-CB 4.25Å; F107-E113 WeakPolarHBondContact CD2-O 3.41Å; F107-Y114 HydrophobicContact CB-CD2 3.9Å; F107-Y114 HydrophobicContact CD2-CD2 4.23Å; F107-Y114 HydrophobicContact CG-CD2 4.45Å; F107-H144 AromaticContact CE1-CE1 3.99Å; F107-H144 AromaticContact CE1-NE2 3.81Å; F107-H144 AromaticContact CZ-CD2 3.73Å; F107-H144 AromaticContact CZ-CE1 3.54Å; F107-H144 AromaticContact CZ-CG 3.86Å; F107-H144 AromaticContact CZ-ND1 3.78Å; F107-H144 AromaticContact CZ-NE2 3.52Å
108N95.1Very high96.2Very high50 Ų5047.3 Ų47.327%0.26723%0.234SC..  trans-106.2109.9168.6-177.6-35.3000109.2E110 T111 G112 E113N108-E110 VanDerWaalsContact C-N 3.27Å; N108-E110 PolarHBondContact O-N 3.03Å; N108-E110 WeakPolarHBondContact OD1-CA 3.28Å; N108-E110 VanDerWaalsContact OD1-CB 3.31Å; N108-E110 WeakPolarHBondContact OD1-CB 3.3Å; N108-E110 PolarHBondContact OD1-N 2.95Å; N108-T111 WeakPolarHBondContact CB-OG1 3.44Å; N108-T111 VanDerWaalsContact CG-OG1 3.29Å; N108-T111 PolarHBondContact OD1-N 3.23Å; N108-G112 WeakPolarHBondContact O-CA 3.42Å; N108-G112 PolarHBondContact O-N 3.5Å; N108-E113 PolarHBondContact N-O 2.74Å
109H91.4Very high96.3Very high21 Ų2147.5 Ų47.510%0.09723%0.233CC..THydrogen-bonded Turntrans-70.3-20.4-17866.8-82.5000113.9N55 R88 F107 H144N55-H109 VanDerWaalsContact CG-CE1 3.42Å; N55-H109 PolarHBondContact ND2-CE1 3.37Å; N55-H109 VanDerWaalsContact ND2-CE1 3.29Å; N55-H109 PolarHBondContact ND2-NE2 3.29Å; R88-H109 PolarHBondContact NE-O 3Å; F107-H109 HydrophobicContact CD1-CB 4.29Å; F107-H109 HydrophobicContact CE1-CB 3.66Å; F107-H109 HydrophobicContact CZ-CB 4.25Å; H109-H144 PolarHBondContact O-CE1 2.58Å
110E90.2Very high96.3Very high134 Ų13445.1 Ų45.163%0.62622%0.22SC*.THydrogen-bonded Turntrans-76.1-50.9175.5-58.7-174.7166.100110.6R88 N108 R188R88-E110 PolarHBondContact NH2-O 3.09Å; N108-E110 VanDerWaalsContact C-N 3.27Å; N108-E110 PolarHBondContact O-N 3.03Å; N108-E110 WeakPolarHBondContact OD1-CA 3.28Å; N108-E110 VanDerWaalsContact OD1-CB 3.31Å; N108-E110 WeakPolarHBondContact OD1-CB 3.3Å; N108-E110 PolarHBondContact OD1-N 2.95Å; E110-R188 PolarHBondContact O-NH2 2.98Å
111T94.8Very high96.1Very high66 Ų6647.7 Ų47.741%0.40523%0.23SC..THydrogen-bonded Turntrans-87.5-23.8-177.266.70000112.8N108 E113 R188N108-T111 WeakPolarHBondContact CB-OG1 3.44Å; N108-T111 VanDerWaalsContact CG-OG1 3.29Å; N108-T111 PolarHBondContact OD1-N 3.23Å; T111-E113 VanDerWaalsContact OG1-CB 3.31Å; T111-E113 WeakPolarHBondContact OG1-CB 3.43Å; T111-E113 PolarHBondContact OG1-N 2.84Å; T111-R188 WeakPolarHBondContact O-CB 3.5Å; T111-R188 PolarHBondContact O-NE 3.32Å; T111-R188 PolarHBondContact O-NH2 2.77Å
112G95.8Very high95.1Very high0 Ų045 Ų450%023%0.225CC..  trans77.57.4-174.500000112.2N108 Y114 Y145N108-G112 WeakPolarHBondContact O-CA 3.42Å; N108-G112 PolarHBondContact O-N 3.5Å; G112-Y114 PolarHBondContact O-N 2.83Å; G112-Y145 VanDerWaalsContact O-CE1 3.26Å; G112-Y145 WeakPolarHBondContact O-CE1 3.24Å; G112-Y145 PolarHBondContact O-OH 3.19Å
113E97.9Very high93.6Very high96 Ų9644.3 Ų44.345%0.44922%0.223SC..  trans-68.3128.5174.4-169.8179.3141.400109.4F107 N108 T111 L186F107-E113 WeakPolarHBondContact CD2-O 3.41Å; N108-E113 PolarHBondContact N-O 2.74Å; T111-E113 VanDerWaalsContact OG1-CB 3.31Å; T111-E113 WeakPolarHBondContact OG1-CB 3.43Å; T111-E113 PolarHBondContact OG1-N 2.84Å; E113-L186 WeakPolarHBondContact CA-O 3.38Å
114Y98.4Very high91.5Very high0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-132.2129.8178.6175.8-117.9000109.7P93 P95 Q105 H106 F107 G112 F116 I137 M184 E185 L186P93-Y114 HydrophobicContact CB-CD1 3.81Å; P93-Y114 HydrophobicContact CB-CD2 4.2Å; P93-Y114 HydrophobicContact CB-CE1 4.02Å; P93-Y114 HydrophobicContact CB-CE2 4.37Å; P93-Y114 HydrophobicContact CB-CG 3.89Å; P93-Y114 HydrophobicContact CG-CD1 3.89Å; P93-Y114 HydrophobicContact CG-CD2 3.58Å; P93-Y114 HydrophobicContact CG-CE1 4.42Å; P93-Y114 HydrophobicContact CG-CE2 4.14Å; P93-Y114 HydrophobicContact CG-CG 3.41Å; P93-Y114 VanDerWaalsContact CG-CG 3.41Å; P93-Y114 WeakPolarHBondContact O-CE2 3.16Å; P95-Y114 WeakPolarHBondContact CD-OH 3.47Å; Q105-Y114 HydrophobicContact CG-CE2 3.52Å; Q105-Y114 PolarHBondContact OE1-OH 3.43Å; H106-Y114 WeakPolarHBondContact O-CA 3.13Å; H106-Y114 VanDerWaalsContact O-CD2 3.25Å; H106-Y114 WeakPolarHBondContact O-CD2 3.35Å; F107-Y114 HydrophobicContact CB-CD2 3.9Å; F107-Y114 HydrophobicContact CD2-CD2 4.23Å; F107-Y114 HydrophobicContact CG-CD2 4.45Å; G112-Y114 PolarHBondContact O-N 2.83Å; Y114-F116 HydrophobicContact CE1-CB 3.81Å; Y114-I137 HydrophobicContact CE1-CG2 4.16Å; Y114-M184 HydrophobicContact CD1-CE 3.4Å; Y114-M184 HydrophobicContact CE1-CE 3.3Å; Y114-E185 CarbonylContact O-C 3.57Å; Y114-E185 VanDerWaalsContact O-CA 3.3Å; Y114-E185 WeakPolarHBondContact O-CA 2.98Å; Y114-L186 HydrophobicContact CD1-CD1 3.91Å; Y114-L186 HydrophobicContact CD1-CG 4.47Å; Y114-L186 PolarHBondContact N-O 2.95Å; Y114-L186 PolarHBondContact O-N 3.21Å
115S98.4Very high89.3Confident26 Ų2646.8 Ų46.818%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-122.913817262.20000110.2Q105 H106 M184Q105-S115 CarbonylContact C-O 3.4Å; Q105-S115 WeakPolarHBondContact CA-O 3.33Å; H106-S115 PolarHBondContact N-O 3.1Å; H106-S115 PolarHBondContact O-N 2.86Å; S115-M184 CarbonylContact C-O 3.5Å; S115-M184 VanDerWaalsContact CA-O 3.32Å; S115-M184 WeakPolarHBondContact CA-O 3.3Å
116F98.6Very high87.2Confident4 Ų452.7 Ų52.72%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-142.3137.1178.6179.7-122.2000110.5F65 P95 T98 F102 Q105 Y114 F118 I137 E183 M184F65-F116 HydrophobicContact CE2-CE2 4.02Å; F65-F116 HydrophobicContact CE2-CZ 4.5Å; P95-F116 HydrophobicContact CB-CE1 3.95Å; P95-F116 HydrophobicContact CB-CE2 4.42Å; P95-F116 HydrophobicContact CB-CZ 3.86Å; P95-F116 HydrophobicContact CG-CD2 4.34Å; P95-F116 HydrophobicContact CG-CE1 4.18Å; P95-F116 HydrophobicContact CG-CE2 3.76Å; P95-F116 HydrophobicContact CG-CZ 3.67Å; T98-F116 HydrophobicContact CG2-CE1 3.66Å; T98-F116 HydrophobicContact CG2-CZ 3.57Å; F102-F116 AromaticContact CD2-CE2 3.99Å; F102-F116 HydrophobicContact CD2-CE2 3.99Å; F102-F116 HydrophobicContact CE2-CE2 4.31Å; Q105-F116 HydrophobicContact CB-CD2 4.02Å; Q105-F116 HydrophobicContact CG-CD2 4.31Å; Y114-F116 HydrophobicContact CE1-CB 3.81Å; F116-F118 AromaticContact CD1-CD1 3.97Å; F116-F118 HydrophobicContact CD1-CD1 3.97Å; F116-F118 HydrophobicContact CD1-CE1 4.34Å; F116-F118 HydrophobicContact CE1-CB 4.48Å; F116-F118 AromaticContact CE1-CD1 3.3Å; F116-F118 HydrophobicContact CE1-CD1 3.3Å; F116-F118 AromaticContact CE1-CE1 3.78Å; F116-F118 HydrophobicContact CE1-CE1 3.78Å; F116-F118 HydrophobicContact CE1-CG 4.16Å; F116-F118 HydrophobicContact CZ-CB 4.14Å; F116-F118 AromaticContact CZ-CD1 3.83Å; F116-F118 HydrophobicContact CZ-CD1 3.83Å; F116-F118 HydrophobicContact CZ-CG 4.26Å; F116-I137 HydrophobicContact CD1-CD1 3.96Å; F116-I137 HydrophobicContact CE1-CD1 4.48Å; F116-E183 WeakPolarHBondContact O-CA 3.27Å; F116-M184 PolarHBondContact N-O 3.02Å; F116-M184 PolarHBondContact O-N 2.75Å
117S98.5Very high84.9Confident1 Ų159.3 Ų59.31%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-145.4145.7173.162.40000113V103 K104 V182V103-S117 WeakPolarHBondContact CB-O 3.39Å; V103-S117 PolarHBondContact N-O 2.81Å; K104-S117 WeakPolarHBondContact CE-OG 3.38Å; K104-S117 WeakPolarHBondContact CG-OG 3.26Å; K104-S117 PolarHBondContact N-O 3.34Å; K104-S117 PolarHBondContact N-OG 2.93Å; K104-S117 PolarHBondContact O-N 3.42Å; K104-S117 PolarHBondContact O-OG 2.84Å; S117-V182 CarbonylContact C-O 3.59Å; S117-V182 WeakPolarHBondContact CA-O 3.32Å; S117-V182 WeakPolarHBondContact CB-O 3.26Å
118F98.1Very high82.8Confident1 Ų162.7 Ų62.70%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-152.8158.4179.868.8-77.9000109.7T98 R101 F116 T120 I134 A135 V182T98-F118 HydrophobicContact CG2-CD1 4.43Å; T98-F118 HydrophobicContact CG2-CG 4.42Å; R101-F118 CarbonylContact O-C 3.58Å; R101-F118 VanDerWaalsContact O-CA 3.25Å; R101-F118 WeakPolarHBondContact O-CA 3.5Å; R101-F118 WeakPolarHBondContact O-CB 3.47Å; F116-F118 AromaticContact CD1-CD1 3.97Å; F116-F118 HydrophobicContact CD1-CD1 3.97Å; F116-F118 HydrophobicContact CD1-CE1 4.34Å; F116-F118 HydrophobicContact CE1-CB 4.48Å; F116-F118 AromaticContact CE1-CD1 3.3Å; F116-F118 HydrophobicContact CE1-CD1 3.3Å; F116-F118 AromaticContact CE1-CE1 3.78Å; F116-F118 HydrophobicContact CE1-CE1 3.78Å; F116-F118 HydrophobicContact CE1-CG 4.16Å; F116-F118 HydrophobicContact CZ-CB 4.14Å; F116-F118 AromaticContact CZ-CD1 3.83Å; F116-F118 HydrophobicContact CZ-CD1 3.83Å; F116-F118 HydrophobicContact CZ-CG 4.26Å; F118-T120 HydrophobicContact CE2-CG2 3.99Å; F118-I134 HydrophobicContact CE2-CB 4.34Å; F118-I134 HydrophobicContact CZ-CB 4.26Å; F118-I134 HydrophobicContact CZ-CD1 3.98Å; F118-I134 HydrophobicContact CZ-CG1 4.14Å; F118-A135 HydrophobicContact CE1-CB 4.12Å; F118-A135 HydrophobicContact CZ-CB 3.92Å; F118-V182 HydrophobicContact CD1-CB 4Å; F118-V182 HydrophobicContact CD1-CG1 4.18Å; F118-V182 HydrophobicContact CE1-CB 3.63Å; F118-V182 HydrophobicContact CE1-CG1 3.49Å; F118-V182 VanDerWaalsContact CE1-CG1 3.49Å; F118-V182 HydrophobicContact CE1-CG2 4.31Å; F118-V182 HydrophobicContact CE2-CB 4.44Å; F118-V182 HydrophobicContact CE2-CG2 4.38Å; F118-V182 HydrophobicContact CZ-CB 3.88Å; F118-V182 HydrophobicContact CZ-CG1 3.94Å; F118-V182 HydrophobicContact CZ-CG2 4.03Å; F118-V182 PolarHBondContact N-O 2.82Å; F118-V182 PolarHBondContact O-N 3.04Å
119I96.7Very high80.9Confident43 Ų4369.6 Ų69.622%0.22135%0.351CS..EExtended strand (participates in β ladder)trans-102.3123.1174.4-63.5165.6000107.9G100 R101 V103 H179 V180 L181G100-I119 CarbonylContact C-O 3.5Å; G100-I119 WeakPolarHBondContact CA-O 3.47Å; R101-I119 PolarHBondContact N-O 3.01Å; R101-I119 PolarHBondContact O-N 2.73Å; V103-I119 HydrophobicContact CG2-CD1 3.97Å; V103-I119 HydrophobicContact CG2-CG1 3.8Å; I119-H179 HydrophobicContact CG2-CB 3.76Å; I119-V180 CarbonylContact C-O 3.54Å; I119-V180 WeakPolarHBondContact CA-O 3.23Å; I119-L181 HydrophobicContact CG1-CD1 4.04Å
120T94.4Very high79.6Confident0 Ų076.7 Ų76.70%038%0.382CS..EExtended strand (participates in β ladder)trans-60.6147.4179.359.90000111.4N99 F118 I134 L171 E178 H179 V180 V182N99-T120 WeakPolarHBondContact O-CA 3.45Å; F118-T120 HydrophobicContact CE2-CG2 3.99Å; T120-I134 HydrophobicContact CG2-CB 4.44Å; T120-I134 HydrophobicContact CG2-CD1 4.05Å; T120-I134 HydrophobicContact CG2-CG2 4.19Å; T120-L171 HydrophobicContact CG2-CD1 4.47Å; T120-L171 HydrophobicContact CG2-CD2 4.5Å; T120-E178 PolarHBondContact OG1-O 3.22Å; T120-H179 PolarHBondContact O-ND1 3.4Å; T120-V180 HydrophobicContact CG2-CB 4.26Å; T120-V180 PolarHBondContact N-O 2.94Å; T120-V180 PolarHBondContact OG1-N 3.1Å; T120-V182 HydrophobicContact CG2-CG2 3.79Å
121N88.3Confident78.7Confident73 Ų7374.3 Ų74.339%0.3937%0.371SS..PPolyproline II helixtrans-73.9149.4164.1-66.9-38.9000109.6N99 G100 L123N99-N121 PolarHBondContact O-N 3.09Å; N99-N121 VanDerWaalsContact O-N 3.11Å; N99-N121 PolarHBondContact OD1-ND2 3.36Å; N99-N121 VanDerWaalsContact OD1-ND2 3.12Å; G100-N121 PolarHBondContact N-ND2 3.12Å; N121-L123 PolarHBondContact O-N 2.94Å
122Q74.2Confident78.2Confident114 Ų11471.9 Ų71.953%0.53336%0.356SS..PPolyproline II helixtrans-64.1124.5168.9-74.9-179.2-33.800109.4S124 N177Q122-S124 PolarHBondContact O-N 2.81Å; Q122-N177 PolarHBondContact NE2-O 2.91Å
123L66.5Low78.1Confident31 Ų3175.2 Ų75.216%0.16237%0.373CS..  trans-94.586-178.9-76.7169.4000108.7N99 N121 N125 N132 R176N99-L123 WeakPolarHBondContact ND2-CD2 3.5Å; N121-L123 PolarHBondContact O-N 2.94Å; L123-N125 PolarHBondContact O-N 3.19Å; L123-N125 VanDerWaalsContact O-N 3.16Å; L123-N132 HydrophobicContact CD1-CB 3.54Å; L123-N132 WeakPolarHBondContact CD1-ND2 3.5Å; L123-R176 PolarHBondContact N-O 2.8Å; L123-R176 VanDerWaalsContact N-O 3.11Å
124S54.3Low77.9Confident98 Ų9870.7 Ų70.769%0.68535%0.352SS*.  trans-64.9115.9179.766.80000111.2Q122 Q126Q122-S124 PolarHBondContact O-N 2.81Å; S124-Q126 PolarHBondContact O-N 3.22Å; S124-Q126 VanDerWaalsContact O-N 3.12Å
125N50.7Low77.8Confident128 Ų12870.7 Ų70.768%0.68435%0.352SS*.  trans56.727.5155.1-64.5-16.1000119L123 Y127L123-N125 PolarHBondContact O-N 3.19Å; L123-N125 VanDerWaalsContact O-N 3.16Å; N125-Y127 PolarHBondContact O-N 3.07Å
126Q53.3Low77.8Confident137 Ų13772.8 Ų72.864%0.6436%0.359SS*.  trans-75.196.1160.6-77.6-165.4-3100109.6S124 S128 R176S124-Q126 PolarHBondContact O-N 3.22Å; S124-Q126 VanDerWaalsContact O-N 3.12Å; Q126-S128 PolarHBondContact O-N 2.94Å; Q126-R176 PolarHBondContact O-NH1 2.89Å; Q126-R176 VanDerWaalsContact O-NH1 3.14Å
127Y50.1Low77.8Confident223 Ų22372.6 Ų72.688%0.87536%0.358SS*.  trans-61.443.9169.9-87.1-89.3000113.2N125N125-Y127 PolarHBondContact O-N 3.07Å
128S53Low77.8Confident71 Ų7174.8 Ų74.850%0.49737%0.366SS..  trans-106.2123.4168.3-750000108.2Q126 K130 R176Q126-S128 PolarHBondContact O-N 2.94Å; S128-K130 PolarHBondContact O-N 3.4Å; S128-R176 PolarHBondContact O-NH1 3.24Å; S128-R176 PolarHBondContact O-NH2 3.19Å
129E56Low77.8Confident194 Ų19474.7 Ų74.791%0.90737%0.366SS*.SBendtrans-62.2-5.4176-65.7-176.3157.200113.3
130K62.6Low77.9Confident171 Ų17172.7 Ų72.774%0.74336%0.356SS*.SBendtrans-82.3134.8177.6-73.4-174.8173.2-176.60111.3S128 R176S128-K130 PolarHBondContact O-N 3.4Å; K130-R176 PolarHBondContact O-NH2 2.62Å
131Q72.7Confident78Confident83 Ų8374.7 Ų74.739%0.38837%0.366SS..PPolyproline II helixtrans-46.9144.2172.2-58.1176.6-27.200111.1T159 Y170Q131-T159 PolarHBondContact NE2-OG1 3.2Å; Q131-T159 VanDerWaalsContact OE1-CB 3.31Å; Q131-T159 PolarHBondContact OE1-OG1 3.19Å; Q131-Y170 HydrophobicContact CB-CD1 4.34Å; Q131-Y170 HydrophobicContact CB-CG 4.34Å
132N84.9Confident78.4Confident16 Ų1675.6 Ų75.69%0.08638%0.378CS..EExtended strand (participates in β ladder)trans-90.1122.3-173.1-70.3-22.5000110.3L123 I134 Y170 L171 R176L123-N132 HydrophobicContact CD1-CB 3.54Å; L123-N132 WeakPolarHBondContact CD1-ND2 3.5Å; N132-I134 PolarHBondContact O-N 2.83Å; N132-Y170 CarbonylContact O-C 3.52Å; N132-Y170 WeakPolarHBondContact O-CA 3.44Å; N132-L171 PolarHBondContact N-O 3.19Å; N132-L171 VanDerWaalsContact N-O 3.15Å; N132-L171 PolarHBondContact O-N 3.04Å; N132-R176 WeakPolarHBondContact ND2-CD 3.41Å; N132-R176 WeakPolarHBondContact ND2-CG 3.01Å; N132-R176 PolarHBondContact ND2-NE 3.13Å; N132-R176 PolarHBondContact OD1-NH2 3.33Å
133L91.8Very high79.4Confident69 Ų6971.7 Ų71.736%0.36136%0.362SS..EExtended strand (participates in β ladder)trans-63121.7171.6-178.266.6000109.3A135 E136 Y170L133-A135 WeakPolarHBondContact CD1-O 3.41Å; L133-E136 HydrophobicContact CD1-CG 4.12Å; L133-E136 HydrophobicContact CD2-CG 3.96Å; L133-E136 HydrophobicContact CG-CG 4.39Å; L133-Y170 HydrophobicContact CB-CD1 3.99Å; L133-Y170 HydrophobicContact CB-CE1 3.86Å; L133-Y170 HydrophobicContact CD1-CD1 4.21Å; L133-Y170 HydrophobicContact CD1-CE1 3.82Å; L133-Y170 HydrophobicContact CG-CE1 4.42Å
134I94.2Very high80.8Confident2 Ų270.2 Ų70.21%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-115.6-20.5-178.656.8170.4000113.5T98 N99 F118 T120 N132 L158 I169 L171 V182T98-I134 CarbonylContact C-O 3.59Å; T98-I134 WeakPolarHBondContact CA-O 3.35Å; N99-I134 PolarHBondContact N-O 3.21Å; F118-I134 HydrophobicContact CE2-CB 4.34Å; F118-I134 HydrophobicContact CZ-CB 4.26Å; F118-I134 HydrophobicContact CZ-CD1 3.98Å; F118-I134 HydrophobicContact CZ-CG1 4.14Å; T120-I134 HydrophobicContact CG2-CB 4.44Å; T120-I134 HydrophobicContact CG2-CD1 4.05Å; T120-I134 HydrophobicContact CG2-CG2 4.19Å; N132-I134 PolarHBondContact O-N 2.83Å; I134-L158 HydrophobicContact CD1-CD2 4.16Å; I134-I169 HydrophobicContact CD1-CG2 3.93Å; I134-I169 HydrophobicContact CG1-CB 4.23Å; I134-I169 HydrophobicContact CG1-CG2 3.96Å; I134-I169 WeakPolarHBondContact CG1-O 3.4Å; I134-I169 PolarHBondContact N-O 3.28Å; I134-L171 HydrophobicContact CD1-CB 4.15Å; I134-L171 HydrophobicContact CD1-CD1 4.34Å; I134-L171 HydrophobicContact CG2-CB 3.65Å; I134-V182 HydrophobicContact CD1-CG2 3.84Å
135A96.8Very high82.8Confident0 Ų065.8 Ų65.80%032%0.323CS..EExtended strand (participates in β ladder)trans-153.7147173.300000111.4S97 T98 F118 L133 I137 S168 I169S97-A135 VanDerWaalsContact O-CA 3.26Å; S97-A135 WeakPolarHBondContact O-CA 3.41Å; T98-A135 HydrophobicContact CG2-CB 4.12Å; F118-A135 HydrophobicContact CE1-CB 4.12Å; F118-A135 HydrophobicContact CZ-CB 3.92Å; L133-A135 WeakPolarHBondContact CD1-O 3.41Å; A135-I137 HydrophobicContact CB-CD1 4.48Å; A135-I137 HydrophobicContact CB-CG1 4.27Å; A135-S168 WeakPolarHBondContact O-CA 3.19Å; A135-I169 HydrophobicContact CB-CB 4.33Å; A135-I169 HydrophobicContact CB-CD1 4.46Å; A135-I169 PolarHBondContact N-O 2.73Å; A135-I169 PolarHBondContact O-N 3.01Å
136E98.4Very high85Confident69 Ų6963.7 Ų63.732%0.32232%0.316SS..EExtended strand (participates in β ladder)trans-120.2121.1162.5-63.8173.4114.500108P95 Q96 S97 L133 T166 L167P95-E136 CarbonylContact C-O 2.91Å; Q96-E136 PolarHBondContact N-O 2.88Å; S97-E136 PolarHBondContact N-O 3.31Å; S97-E136 PolarHBondContact O-N 3.31Å; S97-E136 WeakPolarHBondContact OG-CB 3.43Å; S97-E136 PolarHBondContact OG-N 2.93Å; S97-E136 PolarHBondContact OG-OE2 3.44Å; L133-E136 HydrophobicContact CD1-CG 4.12Å; L133-E136 HydrophobicContact CD2-CG 3.96Å; L133-E136 HydrophobicContact CG-CG 4.39Å; E136-T166 HydrophobicContact CB-CG2 4.09Å; E136-L167 WeakPolarHBondContact CA-O 3.21Å
137I98.5Very high87.1Confident0 Ų063.5 Ų63.50%032%0.32CS..EExtended strand (participates in β ladder)trans-119.3124.7-174.3-55.9177.5000108.3Y94 P95 Y114 F116 A135 L167 I169 M184Y94-I137 WeakPolarHBondContact O-CA 3.21Å; P95-I137 HydrophobicContact CB-CG1 4.36Å; Y114-I137 HydrophobicContact CE1-CG2 4.16Å; F116-I137 HydrophobicContact CD1-CD1 3.96Å; F116-I137 HydrophobicContact CE1-CD1 4.48Å; A135-I137 HydrophobicContact CB-CD1 4.48Å; A135-I137 HydrophobicContact CB-CG1 4.27Å; I137-L167 HydrophobicContact CB-CB 4.41Å; I137-L167 PolarHBondContact N-O 3.23Å; I137-L167 PolarHBondContact O-N 3.07Å; I137-I169 HydrophobicContact CD1-CD1 3.71Å; I137-M184 HydrophobicContact CD1-CE 3.67Å; I137-M184 HydrophobicContact CD1-SD 3.55Å; I137-M184 VanDerWaalsContact CD1-SD 3.55Å; I137-M184 HydrophobicContact CG2-CE 4.21Å
138Y98.6Very high89.3Confident47 Ų4754 Ų5418%0.18429%0.29CS..EExtended strand (participates in β ladder)trans-72.3131.3170.1176.7-104.8000109.5I91 R92 P93 Y94 P140 N165I91-Y138 HydrophobicContact CG1-CE1 4.14Å; R92-Y138 WeakPolarHBondContact O-CD1 3.47Å; P93-Y138 WeakPolarHBondContact CA-O 3.28Å; Y94-Y138 AromaticContact CD1-CD1 3.86Å; Y94-Y138 HydrophobicContact CD1-CD1 3.86Å; Y94-Y138 HydrophobicContact CD1-CG 4.3Å; Y94-Y138 AromaticContact CE1-CD1 3.54Å; Y94-Y138 HydrophobicContact CE1-CD1 3.54Å; Y94-Y138 HydrophobicContact CE1-CE1 4.46Å; Y94-Y138 AromaticContact CE1-CG 3.8Å; Y94-Y138 HydrophobicContact CE1-CG 3.8Å; Y94-Y138 PolarHBondContact N-O 3.27Å; Y94-Y138 PolarHBondContact O-N 3.49Å; Y138-P140 HydrophobicContact CE1-CB 3.77Å; Y138-P140 HydrophobicContact CE1-CG 4.26Å; Y138-N165 CarbonylContact C-O 3.58Å; Y138-N165 WeakPolarHBondContact CA-O 3.09Å; Y138-N165 HydrophobicContact CD2-CB 3.87Å; Y138-N165 HydrophobicContact CE2-CB 3.52Å
139I98.2Very high91.4Very high0 Ų052.6 Ų52.60%027%0.274CS..  trans-123.3112.7175.8-56.7-173.3000108.2L141 Y145 L162 N165 L167 L186I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 HydrophobicContact CB-CD2 4.46Å; I139-L141 HydrophobicContact CG2-CD2 3.72Å; I139-L141 HydrophobicContact CG2-CG 4.36Å; I139-L141 PolarHBondContact O-N 3.18Å; I139-Y145 HydrophobicContact CG2-CD2 3.6Å; I139-Y145 HydrophobicContact CG2-CE2 3.69Å; I139-L162 HydrophobicContact CD1-CD1 4.23Å; I139-N165 PolarHBondContact N-O 2.99Å; I139-N165 VanDerWaalsContact O-CB 3.24Å; I139-N165 WeakPolarHBondContact O-CB 3.44Å; I139-N165 PolarHBondContact O-OD1 3.24Å; I139-L167 HydrophobicContact CD1-CB 3.59Å; I139-L167 HydrophobicContact CD1-CD2 3.88Å; I139-L167 HydrophobicContact CD1-CG 4.21Å; I139-L167 HydrophobicContact CG1-CB 4.12Å; I139-L186 HydrophobicContact CD1-CD1 3.74Å; I139-L186 HydrophobicContact CD1-CD2 4.32Å; I139-L186 HydrophobicContact CG1-CD1 4.08Å
140P97.6Very high93.3Very high0 Ų045.8 Ų45.80%025%0.247CC..  trans-76.575179.929.5-35.2000112.4I91 Y138 S142 V143 H144 Y145I91-P140 HydrophobicContact CD1-CB 3.73Å; I91-P140 HydrophobicContact CG1-CB 3.76Å; I91-P140 HydrophobicContact CG1-CG 4.48Å; I91-P140 HydrophobicContact CG2-CB 4.22Å; Y138-P140 HydrophobicContact CE1-CB 3.77Å; Y138-P140 HydrophobicContact CE1-CG 4.26Å; P140-S142 PolarHBondContact O-N 3.04Å; P140-V143 PolarHBondContact O-N 2.9Å; P140-H144 HydrophobicContact CG-CB 4.31Å; P140-H144 PolarHBondContact O-N 2.8Å; P140-Y145 HydrophobicContact CG-CE2 4.37Å
141L97.6Very high95Very high42 Ų4240.3 Ų40.322%0.2223%0.226CC..Hα-helixtrans-55.5-46.7-172.6-64176.9000113.2I139 V143 Y145 P146 Y149 L162 G164 N165I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 HydrophobicContact CB-CD2 4.46Å; I139-L141 HydrophobicContact CG2-CD2 3.72Å; I139-L141 HydrophobicContact CG2-CG 4.36Å; I139-L141 PolarHBondContact O-N 3.18Å; L141-V143 VanDerWaalsContact C-N 3.29Å; L141-V143 PolarHBondContact O-N 3.45Å; L141-Y145 CarbonylContact O-C 3.32Å; L141-Y145 WeakPolarHBondContact O-CA 3.25Å; L141-Y145 PolarHBondContact O-N 3.31Å; L141-Y145 VanDerWaalsContact O-N 3.12Å; L141-P146 VanDerWaalsContact O-N 3.09Å; L141-Y149 HydrophobicContact CD2-CD1 3.99Å; L141-Y149 HydrophobicContact CD2-CE1 3.57Å; L141-L162 HydrophobicContact CD1-CD2 4.14Å; L141-L162 HydrophobicContact CD2-CD2 4.44Å; L141-G164 VanDerWaalsContact CD1-O 3.25Å; L141-G164 WeakPolarHBondContact CD1-O 3.31Å; L141-N165 WeakPolarHBondContact CB-OD1 3.46Å; L141-N165 WeakPolarHBondContact CD1-OD1 3.4Å; L141-N165 VanDerWaalsContact CG-OD1 3.31Å; L141-N165 WeakPolarHBondContact CG-OD1 3.45Å
142S95.7Very high96.2Very high92 Ų9240.6 Ų40.664%0.64323%0.23SC*.Hα-helixtrans-70.4-22.9-175.154.70000114.2P140P140-S142 PolarHBondContact O-N 3.04Å
143V95.5Very high96.8Very high32 Ų3241.6 Ų41.619%0.19424%0.235CC..Hα-helixtrans-101.2-48.9-174.9-177.30000111.7V87 R88 I91 P140 L141V87-V143 HydrophobicContact CG1-CG1 4.38Å; V87-V143 HydrophobicContact CG1-CG2 4.15Å; R88-V143 HydrophobicContact CB-CG1 4.3Å; I91-V143 HydrophobicContact CD1-CB 4.47Å; I91-V143 HydrophobicContact CD1-CG2 3.89Å; I91-V143 HydrophobicContact CG2-CB 3.67Å; I91-V143 HydrophobicContact CG2-CG1 3.49Å; I91-V143 VanDerWaalsContact CG2-CG1 3.49Å; I91-V143 HydrophobicContact CG2-CG2 3.96Å; P140-V143 PolarHBondContact O-N 2.9Å; L141-V143 VanDerWaalsContact C-N 3.29Å; L141-V143 PolarHBondContact O-N 3.45Å
144H96.7Very high97Very high0 Ų042.1 Ų42.10%024%0.238CC..Hα-helixtrans-100.6-24.5-174.9-74.8-68.6000113.9R88 I91 F107 H109 P140 R188R88-H144 WeakPolarHBondContact CG-CE1 3.24Å; R88-H144 PolarHBondContact O-CE1 3.35Å; R88-H144 PolarHBondContact O-NE2 3.17Å; I91-H144 PolarHBondContact O-CD2 3.12Å; I91-H144 PolarHBondContact O-NE2 2.86Å; F107-H144 AromaticContact CE1-CE1 3.99Å; F107-H144 AromaticContact CE1-NE2 3.81Å; F107-H144 AromaticContact CZ-CD2 3.73Å; F107-H144 AromaticContact CZ-CE1 3.54Å; F107-H144 AromaticContact CZ-CG 3.86Å; F107-H144 AromaticContact CZ-ND1 3.78Å; F107-H144 AromaticContact CZ-NE2 3.52Å; H109-H144 PolarHBondContact O-CE1 2.58Å; P140-H144 HydrophobicContact CG-CB 4.31Å; P140-H144 PolarHBondContact O-N 2.8Å; H144-R188 VanDerWaalsContact O-CD 3.28Å; H144-R188 WeakPolarHBondContact O-CD 3.45Å; H144-R188 VanDerWaalsContact O-CG 3.3Å; H144-R188 WeakPolarHBondContact O-CG 3.45Å; H144-R188 PolarHBondContact O-NE 2.83Å; H144-R188 PolarHBondContact O-NH1 2.84Å; H144-R188 VanDerWaalsContact O-NH1 3.09Å
145Y97.2Very high97Very high5 Ų543.2 Ų43.22%0.0225%0.245CC..  trans-129.444.5-173.1-46.9-76.5000113.8G112 I139 P140 L141 N147 G148 Y149 R188G112-Y145 VanDerWaalsContact O-CE1 3.26Å; G112-Y145 WeakPolarHBondContact O-CE1 3.24Å; G112-Y145 PolarHBondContact O-OH 3.19Å; I139-Y145 HydrophobicContact CG2-CD2 3.6Å; I139-Y145 HydrophobicContact CG2-CE2 3.69Å; P140-Y145 HydrophobicContact CG-CE2 4.37Å; L141-Y145 CarbonylContact O-C 3.32Å; L141-Y145 WeakPolarHBondContact O-CA 3.25Å; L141-Y145 PolarHBondContact O-N 3.31Å; L141-Y145 VanDerWaalsContact O-N 3.12Å; Y145-N147 PolarHBondContact O-N 3.38Å; Y145-G148 PolarHBondContact O-N 2.95Å; Y145-Y149 HydrophobicContact CG-CD1 4.39Å; Y145-R188 HydrophobicContact CD1-CB 4.16Å; Y145-R188 HydrophobicContact CD1-CG 4.23Å; Y145-R188 HydrophobicContact CE1-CB 4.31Å
146P96.4Very high96.8Very high84 Ų8450.3 Ų50.355%0.54528%0.283SS..THydrogen-bonded Turntrans-64.1-26.4-174.227-35.9000113.1L141L141-P146 VanDerWaalsContact O-N 3.09Å
147N96.7Very high96.5Very high134 Ų13450 Ų5072%0.71728%0.284SS*.THydrogen-bonded Turntrans-98.48.9176.4-57.1-35.8000112.7Y145Y145-N147 PolarHBondContact O-N 3.38Å
148G96.1Very high96.3Very high24 Ų2450.7 Ų50.725%0.24729%0.288CS..  trans92.1-177.5-175.100000114.2Y145 K189Y145-G148 PolarHBondContact O-N 2.95Å; G148-K189 PolarHBondContact O-N 3.06Å
149Y97.2Very high96Very high41 Ų4151 Ų5116%0.16129%0.294CS..EExtended strand (participates in β ladder)trans-146.1165.2-176.261.5-89.2000110.4L141 Y145 I151 L162 L186 V187 K189L141-Y149 HydrophobicContact CD2-CD1 3.99Å; L141-Y149 HydrophobicContact CD2-CE1 3.57Å; Y145-Y149 HydrophobicContact CG-CD1 4.39Å; Y149-I151 HydrophobicContact CD2-CB 4.29Å; Y149-I151 HydrophobicContact CE2-CB 4.09Å; Y149-I151 HydrophobicContact CE2-CG2 4.27Å; Y149-L162 HydrophobicContact CE1-CD2 4.26Å; Y149-L162 VanDerWaalsContact OH-CD2 3.32Å; Y149-L162 WeakPolarHBondContact OH-CD2 3.1Å; Y149-L186 HydrophobicContact CD2-CD2 3.29Å; Y149-L186 HydrophobicContact CE2-CD2 3.52Å; Y149-L186 HydrophobicContact CG-CD2 4.16Å; Y149-V187 CarbonylContact C-O 3.5Å; Y149-V187 WeakPolarHBondContact CA-O 3.27Å; Y149-V187 WeakPolarHBondContact CB-O 3.39Å; Y149-K189 VanDerWaalsContact O-CE 3.24Å; Y149-K189 WeakPolarHBondContact O-CE 3.07Å
150S97.3Very high95.9Very high50 Ų5053.1 Ų53.135%0.3531%0.312SS..EExtended strand (participates in β ladder)trans-107.4144.5160.752.70000109.7L186 V187S150-L186 WeakPolarHBondContact O-CA 3.38Å; S150-V187 PolarHBondContact N-O 2.99Å; S150-V187 PolarHBondContact O-N 2.84Å
151I97Very high95.9Very high56 Ų5658.1 Ų58.129%0.28734%0.335SS..EExtended strand (participates in β ladder)trans-121.8130.3176.1-177.2163.9000109.7Y149 L153 L167 M184 E185 L186Y149-I151 HydrophobicContact CD2-CB 4.29Å; Y149-I151 HydrophobicContact CE2-CB 4.09Å; Y149-I151 HydrophobicContact CE2-CG2 4.27Å; I151-L153 HydrophobicContact CD1-CD1 4.35Å; I151-L153 HydrophobicContact CD1-CD2 4.13Å; I151-L153 HydrophobicContact CD1-CG 4.16Å; I151-L153 HydrophobicContact CG1-CD2 4.32Å; I151-L153 HydrophobicContact CG1-CG 4.09Å; I151-L167 HydrophobicContact CD1-CD1 4.41Å; I151-L167 HydrophobicContact CD1-CD2 3.37Å; I151-M184 HydrophobicContact CD1-CG 3.98Å; I151-M184 HydrophobicContact CD1-SD 3.77Å; I151-M184 HydrophobicContact CG1-CG 4.11Å; I151-M184 HydrophobicContact CG1-SD 4.49Å; I151-E185 CarbonylContact C-O 3.57Å; I151-E185 WeakPolarHBondContact CA-O 3.36Å; I151-L186 HydrophobicContact CB-CD2 3.74Å; I151-L186 HydrophobicContact CD1-CD2 4.03Å; I151-L186 HydrophobicContact CG1-CD2 3.95Å
152N97.7Very high95.9Very high90 Ų9059.4 Ų59.448%0.48134%0.342SS..EExtended strand (participates in β ladder)trans-111.7131.3168.7-62.5-33.1000108.4M184 E185N152-M184 WeakPolarHBondContact O-CA 3.41Å; N152-E185 HydrophobicContact CB-CB 4.35Å; N152-E185 PolarHBondContact N-O 3.08Å; N152-E185 PolarHBondContact O-N 3.42Å
153L97.5Very high96Very high36 Ų3662.9 Ų62.919%0.18835%0.345CS..EExtended strand (participates in β ladder)trans-122.6134176.3-68.4173.5000109.7I151 P155 L158 A160 I169 E183 M184I151-L153 HydrophobicContact CD1-CD1 4.35Å; I151-L153 HydrophobicContact CD1-CD2 4.13Å; I151-L153 HydrophobicContact CD1-CG 4.16Å; I151-L153 HydrophobicContact CG1-CD2 4.32Å; I151-L153 HydrophobicContact CG1-CG 4.09Å; L153-P155 CarbonylContact C-O 3.51Å; L153-P155 CarbonylContact O-C 3.58Å; L153-L158 HydrophobicContact CB-CB 4.46Å; L153-L158 HydrophobicContact CB-CD1 4.37Å; L153-L158 HydrophobicContact CD1-CB 4.25Å; L153-A160 HydrophobicContact CD1-CB 3.72Å; L153-I169 HydrophobicContact CD2-CD1 3.92Å; L153-E183 WeakPolarHBondContact CA-O 3.49Å; L153-M184 HydrophobicContact CD2-CB 3.75Å; L153-M184 HydrophobicContact CD2-CG 3.6Å; L153-M184 HydrophobicContact CD2-SD 4.32Å
154N96.3Very high96Very high80 Ų8064 Ų6443%0.42836%0.363SS..EExtended strand (participates in β ladder)trans-121.6125.8170.3-173.131.3000108.3V182 E183N154-V182 CarbonylContact O-C 3.59Å; N154-V182 VanDerWaalsContact O-CA 3.3Å; N154-V182 WeakPolarHBondContact O-CA 3.45Å; N154-E183 HydrophobicContact CB-CB 4.12Å; N154-E183 PolarHBondContact N-O 3.34Å; N154-E183 PolarHBondContact ND2-OE2 2.83Å; N154-E183 PolarHBondContact O-N 2.77Å
155P94.5Very high96.1Very high25 Ų2566.6 Ų66.616%0.16238%0.377CS..SBendcis-65.9156.4-4.727.6-33.9000113.4L153 N157 L158 L175 V180L153-P155 CarbonylContact C-O 3.51Å; L153-P155 CarbonylContact O-C 3.58Å; P155-N157 WeakPolarHBondContact CB-OD1 3.34Å; P155-N157 WeakPolarHBondContact CG-OD1 3.08Å; P155-N157 PolarHBondContact O-N 3.49Å; P155-L158 HydrophobicContact CG-CD1 4.45Å; P155-L158 HydrophobicContact CG-CD2 4.19Å; P155-L158 HydrophobicContact CG-CG 4.01Å; P155-L158 VanDerWaalsContact O-CG 3.24Å; P155-L158 WeakPolarHBondContact O-CG 2.84Å; P155-L158 PolarHBondContact O-N 2.89Å; P155-L175 HydrophobicContact CG-CD1 4.1Å; P155-V180 HydrophobicContact CG-CG1 3.82Å
156N92.8Very high96.2Very high149 Ų14968.2 Ų68.280%0.79739%0.387SS*.THydrogen-bonded Turntrans-73.6-9.5-175.263.3-13.5000114.5L158N156-L158 VanDerWaalsContact C-N 3.35Å
157N91.5Very high96.3Very high63 Ų6364.4 Ų64.434%0.33736%0.362SS..THydrogen-bonded Turntrans-902.9176.267.8-15.3000113.3P155P155-N157 WeakPolarHBondContact CB-OD1 3.34Å; P155-N157 WeakPolarHBondContact CG-OD1 3.08Å; P155-N157 PolarHBondContact O-N 3.49Å
158L93.4Very high96.3Very high15 Ų1558.7 Ų58.78%0.07933%0.333CS..  trans-64.3141.4169.9-63.9179.1000110.4I134 L153 P155 N156 I169 L171 V182I134-L158 HydrophobicContact CD1-CD2 4.16Å; L153-L158 HydrophobicContact CB-CB 4.46Å; L153-L158 HydrophobicContact CB-CD1 4.37Å; L153-L158 HydrophobicContact CD1-CB 4.25Å; P155-L158 HydrophobicContact CG-CD1 4.45Å; P155-L158 HydrophobicContact CG-CD2 4.19Å; P155-L158 HydrophobicContact CG-CG 4.01Å; P155-L158 VanDerWaalsContact O-CG 3.24Å; P155-L158 WeakPolarHBondContact O-CG 2.84Å; P155-L158 PolarHBondContact O-N 2.89Å; N156-L158 VanDerWaalsContact C-N 3.35Å; L158-I169 HydrophobicContact CB-CG2 4.33Å; L158-I169 HydrophobicContact CD1-CG2 4.12Å; L158-L171 HydrophobicContact CD2-CD1 3.72Å; L158-V182 HydrophobicContact CD1-CG1 3.72Å; L158-V182 HydrophobicContact CD1-CG2 4.19Å
159T94.1Very high96.3Very high53 Ų5357.6 Ų57.633%0.32532%0.322SS..EExtended strand (participates in β ladder)trans-98.4138.5172.6-56.60000109.2Q131 I169 Y170Q131-T159 PolarHBondContact NE2-OG1 3.2Å; Q131-T159 VanDerWaalsContact OE1-CB 3.31Å; Q131-T159 PolarHBondContact OE1-OG1 3.19Å; T159-I169 WeakPolarHBondContact O-CA 3.46Å; T159-Y170 PolarHBondContact N-O 3.4Å; T159-Y170 PolarHBondContact O-N 2.76Å
160A95.8Very high96.2Very high44 Ų4457.9 Ų57.936%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-129.3135.4177.800000110.8L153 L167 S168L153-A160 HydrophobicContact CD1-CB 3.72Å; A160-L167 HydrophobicContact CB-CD1 4.04Å; A160-S168 CarbonylContact C-O 3.51Å; A160-S168 VanDerWaalsContact CA-O 3.31Å; A160-S168 WeakPolarHBondContact CA-O 3.48Å
161E96.7Very high95.9Very high105 Ų10555.6 Ų55.649%0.49131%0.306SS..EExtended strand (participates in β ladder)trans-126.7128.8177.5-173.8-174.5172.900109.2L167 S168 Y170E161-L167 CarbonylContact O-C 3.47Å; E161-L167 WeakPolarHBondContact O-CA 3.3Å; E161-S168 PolarHBondContact N-O 3.12Å; E161-S168 PolarHBondContact O-N 2.87Å; E161-Y170 HydrophobicContact CB-CE2 4.15Å
162L97.5Very high95.4Very high69 Ų6953.6 Ų53.636%0.36130%0.297SS..EExtended strand (participates in β ladder)trans-103.5121.2174.8-175.875.2000109.7I139 L141 Y149 L167I139-L162 HydrophobicContact CD1-CD1 4.23Å; L141-L162 HydrophobicContact CD1-CD2 4.14Å; L141-L162 HydrophobicContact CD2-CD2 4.44Å; Y149-L162 HydrophobicContact CE1-CD2 4.26Å; Y149-L162 VanDerWaalsContact OH-CD2 3.32Å; Y149-L162 WeakPolarHBondContact OH-CD2 3.1Å; L162-L167 HydrophobicContact CB-CD1 4.32Å; L162-L167 HydrophobicContact CD1-CB 4.14Å; L162-L167 HydrophobicContact CD1-CD1 4.4Å
163K97.6Very high94.6Very high166 Ų16653 Ų5372%0.72230%0.297SS*.EExtended strand (participates in β ladder)trans-124.5108.5172.1-172.8179.1179-178.40109.8N165 T166K163-N165 PolarHBondContact O-N 3.01Å; K163-T166 PolarHBondContact N-O 3.32Å; K163-T166 PolarHBondContact O-N 3.34Å; K163-T166 VanDerWaalsContact O-N 3.12Å
164G97.1Very high93.8Very high55 Ų5556.4 Ų56.457%0.56732%0.315SS*.THydrogen-bonded Turntrans61.8-122.7-17100000110.2L141L141-G164 VanDerWaalsContact CD1-O 3.25Å; L141-G164 WeakPolarHBondContact CD1-O 3.31Å
165N98.1Very high92.9Very high54 Ų5454 Ų5429%0.28930%0.302SS..THydrogen-bonded Turntrans-97.610.8177.4-70.9-27.3000113Y138 I139 L141 K163Y138-N165 CarbonylContact C-O 3.58Å; Y138-N165 WeakPolarHBondContact CA-O 3.09Å; Y138-N165 HydrophobicContact CD2-CB 3.87Å; Y138-N165 HydrophobicContact CE2-CB 3.52Å; I139-N165 PolarHBondContact N-O 2.99Å; I139-N165 VanDerWaalsContact O-CB 3.24Å; I139-N165 WeakPolarHBondContact O-CB 3.44Å; I139-N165 PolarHBondContact O-OD1 3.24Å; L141-N165 WeakPolarHBondContact CB-OD1 3.46Å; L141-N165 WeakPolarHBondContact CD1-OD1 3.4Å; L141-N165 VanDerWaalsContact CG-OD1 3.31Å; L141-N165 WeakPolarHBondContact CG-OD1 3.45Å; K163-N165 PolarHBondContact O-N 3.01Å
166T98.6Very high91.8Very high39 Ų3954.3 Ų54.324%0.23930%0.3CS..EExtended strand (participates in β ladder)trans-111119.3-179.2-58.30000109.7E136 K163E136-T166 HydrophobicContact CB-CG2 4.09Å; K163-T166 PolarHBondContact N-O 3.32Å; K163-T166 PolarHBondContact O-N 3.34Å; K163-T166 VanDerWaalsContact O-N 3.12Å
167L98.3Very high90.7Very high4 Ų452.5 Ų52.52%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-94.6114171.1-179.276.5000109.1E136 I137 I139 I151 A160 E161 L162 I169 M184E136-L167 WeakPolarHBondContact CA-O 3.21Å; I137-L167 HydrophobicContact CB-CB 4.41Å; I137-L167 PolarHBondContact N-O 3.23Å; I137-L167 PolarHBondContact O-N 3.07Å; I139-L167 HydrophobicContact CD1-CB 3.59Å; I139-L167 HydrophobicContact CD1-CD2 3.88Å; I139-L167 HydrophobicContact CD1-CG 4.21Å; I139-L167 HydrophobicContact CG1-CB 4.12Å; I151-L167 HydrophobicContact CD1-CD1 4.41Å; I151-L167 HydrophobicContact CD1-CD2 3.37Å; A160-L167 HydrophobicContact CB-CD1 4.04Å; E161-L167 CarbonylContact O-C 3.47Å; E161-L167 WeakPolarHBondContact O-CA 3.3Å; L162-L167 HydrophobicContact CB-CD1 4.32Å; L162-L167 HydrophobicContact CD1-CB 4.14Å; L162-L167 HydrophobicContact CD1-CD1 4.4Å; L167-I169 HydrophobicContact CD2-CD1 4.34Å; L167-I169 HydrophobicContact CD2-CG1 4.27Å; L167-I169 HydrophobicContact CG-CG1 4.37Å; L167-M184 HydrophobicContact CD2-SD 3.63Å
168S97.9Very high90.2Very high15 Ų1555 Ų5511%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-93.2127.1173-62.80000109.6A135 A160 E161A135-S168 WeakPolarHBondContact O-CA 3.19Å; A160-S168 CarbonylContact C-O 3.51Å; A160-S168 VanDerWaalsContact CA-O 3.31Å; A160-S168 WeakPolarHBondContact CA-O 3.48Å; E161-S168 PolarHBondContact N-O 3.12Å; E161-S168 PolarHBondContact O-N 2.87Å
169I96.4Very high90Very high0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-110.5134.1176.7-56.1176.7000109I134 A135 I137 L153 L158 T159 L167 M184I134-I169 HydrophobicContact CD1-CG2 3.93Å; I134-I169 HydrophobicContact CG1-CB 4.23Å; I134-I169 HydrophobicContact CG1-CG2 3.96Å; I134-I169 WeakPolarHBondContact CG1-O 3.4Å; I134-I169 PolarHBondContact N-O 3.28Å; A135-I169 HydrophobicContact CB-CB 4.33Å; A135-I169 HydrophobicContact CB-CD1 4.46Å; A135-I169 PolarHBondContact N-O 2.73Å; A135-I169 PolarHBondContact O-N 3.01Å; I137-I169 HydrophobicContact CD1-CD1 3.71Å; L153-I169 HydrophobicContact CD2-CD1 3.92Å; L158-I169 HydrophobicContact CB-CG2 4.33Å; L158-I169 HydrophobicContact CD1-CG2 4.12Å; T159-I169 WeakPolarHBondContact O-CA 3.46Å; L167-I169 HydrophobicContact CD2-CD1 4.34Å; L167-I169 HydrophobicContact CD2-CG1 4.27Å; L167-I169 HydrophobicContact CG-CG1 4.37Å; I169-M184 HydrophobicContact CD1-SD 3.96Å
170Y93.8Very high90Very high48 Ų4857.8 Ų57.819%0.18831%0.31CS..EExtended strand (participates in β ladder)trans-121.4135.8-177.3-54.8-96.1000112.3Q131 N132 L133 T159 E161Q131-Y170 HydrophobicContact CB-CD1 4.34Å; Q131-Y170 HydrophobicContact CB-CG 4.34Å; N132-Y170 CarbonylContact O-C 3.52Å; N132-Y170 WeakPolarHBondContact O-CA 3.44Å; L133-Y170 HydrophobicContact CB-CD1 3.99Å; L133-Y170 HydrophobicContact CB-CE1 3.86Å; L133-Y170 HydrophobicContact CD1-CD1 4.21Å; L133-Y170 HydrophobicContact CD1-CE1 3.82Å; L133-Y170 HydrophobicContact CG-CE1 4.42Å; T159-Y170 PolarHBondContact N-O 3.4Å; T159-Y170 PolarHBondContact O-N 2.76Å; E161-Y170 HydrophobicContact CB-CE2 4.15Å
171L90.8Very high90Very high1 Ų159.4 Ų59.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-83.4130.8171.5-163.669.7000109.7T120 N132 I134 L158 L175 V180T120-L171 HydrophobicContact CG2-CD1 4.47Å; T120-L171 HydrophobicContact CG2-CD2 4.5Å; N132-L171 PolarHBondContact N-O 3.19Å; N132-L171 VanDerWaalsContact N-O 3.15Å; N132-L171 PolarHBondContact O-N 3.04Å; I134-L171 HydrophobicContact CD1-CB 4.15Å; I134-L171 HydrophobicContact CD1-CD1 4.34Å; I134-L171 HydrophobicContact CG2-CB 3.65Å; L158-L171 HydrophobicContact CD2-CD1 3.72Å; L171-L175 HydrophobicContact CD1-CB 4.03Å; L171-L175 HydrophobicContact CD1-CD1 4.25Å; L171-L175 HydrophobicContact CD2-CB 4.3Å; L171-L175 HydrophobicContact CG-CB 4.04Å; L171-V180 HydrophobicContact CD1-CB 4.21Å; L171-V180 HydrophobicContact CD1-CG1 4.29Å; L171-V180 HydrophobicContact CD1-CG2 4.04Å
172P87.2Confident90Very high14 Ų1454.4 Ų54.49%0.09129%0.289CS..  trans-68.2159.4175.532.7-37.6000111.1D174 L175P172-D174 VanDerWaalsContact C-N 3.29Å; P172-D174 WeakPolarHBondContact CB-OD1 3.27Å; P172-D174 VanDerWaalsContact CG-OD1 3.28Å; P172-D174 WeakPolarHBondContact CG-OD1 3.27Å; P172-D174 PolarHBondContact O-N 2.02Å; P172-L175 HydrophobicContact CG-CB 4.45Å; P172-L175 HydrophobicContact CG-CD1 3.89Å; P172-L175 HydrophobicContact CG-CG 4.16Å; P172-L175 PolarHBondContact O-N 3.3Å
173T80.7Confident90Very high77 Ų7754.1 Ų54.147%0.47229%0.286SS..G310 helixtrans-68.3-26.5-168.549.40000113.9L175 R176T173-L175 VanDerWaalsContact C-N 3.34Å; T173-R176 VanDerWaalsContact CG2-CZ 3.5Å; T173-R176 WeakPolarHBondContact O-CD 3.09Å; T173-R176 VanDerWaalsContact O-CG 3.3Å; T173-R176 WeakPolarHBondContact O-CG 3.11Å
174D79.8Confident90.1Very high109 Ų10946.3 Ų46.358%0.58325%0.252SS*.G310 helixtrans-69.5-26.5177.858.1-35.7000113.3P172P172-D174 VanDerWaalsContact C-N 3.29Å; P172-D174 WeakPolarHBondContact CB-OD1 3.27Å; P172-D174 VanDerWaalsContact CG-OD1 3.28Å; P172-D174 WeakPolarHBondContact CG-OD1 3.27Å; P172-D174 PolarHBondContact O-N 2.02Å
175L78Confident90.1Very high29 Ų2948.4 Ų48.415%0.15225%0.246CC..G310 helixtrans-976.4-177-64.2-179.1000114.7P155 L171 P172 T173 N177 E178 V180P155-L175 HydrophobicContact CG-CD1 4.1Å; L171-L175 HydrophobicContact CD1-CB 4.03Å; L171-L175 HydrophobicContact CD1-CD1 4.25Å; L171-L175 HydrophobicContact CD2-CB 4.3Å; L171-L175 HydrophobicContact CG-CB 4.04Å; P172-L175 HydrophobicContact CG-CB 4.45Å; P172-L175 HydrophobicContact CG-CD1 3.89Å; P172-L175 HydrophobicContact CG-CG 4.16Å; P172-L175 PolarHBondContact O-N 3.3Å; T173-L175 VanDerWaalsContact C-N 3.34Å; L175-N177 VanDerWaalsContact C-N 3.33Å; L175-N177 PolarHBondContact O-N 3.19Å; L175-E178 PolarHBondContact O-N 2.63Å; L175-V180 HydrophobicContact CB-CG2 4.01Å; L175-V180 HydrophobicContact CD1-CG2 4.35Å
176R71.4Confident90.1Very high32 Ų3245.8 Ų45.812%0.12123%0.233CC..THydrogen-bonded Turntrans-63.9-30.2-169.5-71.2178.9172.9-174.60.3115.8L123 Q126 S128 K130 N132 T173 E178L123-R176 PolarHBondContact N-O 2.8Å; L123-R176 VanDerWaalsContact N-O 3.11Å; Q126-R176 PolarHBondContact O-NH1 2.89Å; Q126-R176 VanDerWaalsContact O-NH1 3.14Å; S128-R176 PolarHBondContact O-NH1 3.24Å; S128-R176 PolarHBondContact O-NH2 3.19Å; K130-R176 PolarHBondContact O-NH2 2.62Å; N132-R176 WeakPolarHBondContact ND2-CD 3.41Å; N132-R176 WeakPolarHBondContact ND2-CG 3.01Å; N132-R176 PolarHBondContact ND2-NE 3.13Å; N132-R176 PolarHBondContact OD1-NH2 3.33Å; T173-R176 VanDerWaalsContact CG2-CZ 3.5Å; T173-R176 WeakPolarHBondContact O-CD 3.09Å; T173-R176 VanDerWaalsContact O-CG 3.3Å; T173-R176 WeakPolarHBondContact O-CG 3.11Å; R176-E178 VanDerWaalsContact C-N 3.32Å
177N70.9Confident90Very high111 Ų11146.7 Ų46.759%0.59424%0.238SC*.THydrogen-bonded Turntrans-92.33.7-175.7-66-27.4000112.7Q122 L175Q122-N177 PolarHBondContact NE2-O 2.91Å; L175-N177 VanDerWaalsContact C-N 3.33Å; L175-N177 PolarHBondContact O-N 3.19Å
178E80.3Confident89.9Confident115 Ų11549.3 Ų49.354%0.53725%0.248SC..SBendtrans-112.2148.7-177.3-62.1-173.5-179.500111.1T120 L175 R176 V180T120-E178 PolarHBondContact OG1-O 3.22Å; L175-E178 PolarHBondContact O-N 2.63Å; R176-E178 VanDerWaalsContact C-N 3.32Å; E178-V180 HydrophobicContact CB-CG2 4.26Å; E178-V180 PolarHBondContact O-N 3.17Å
179H89.8Confident89.8Confident113 Ų11357.3 Ų57.352%0.52328%0.28SS..  trans-77.8109162.6-74.6-67.8000107.7I119 T120I119-H179 HydrophobicContact CG2-CB 3.76Å; T120-H179 PolarHBondContact O-ND1 3.4Å
180V92.8Very high89.4Confident14 Ų1460.2 Ų60.29%0.08529%0.294CS..  trans-101.7124.5-178.1-178.30000108.4I119 T120 P155 L171 L175 E178 V182I119-V180 CarbonylContact C-O 3.54Å; I119-V180 WeakPolarHBondContact CA-O 3.23Å; T120-V180 HydrophobicContact CG2-CB 4.26Å; T120-V180 PolarHBondContact N-O 2.94Å; T120-V180 PolarHBondContact OG1-N 3.1Å; P155-V180 HydrophobicContact CG-CG1 3.82Å; L171-V180 HydrophobicContact CD1-CB 4.21Å; L171-V180 HydrophobicContact CD1-CG1 4.29Å; L171-V180 HydrophobicContact CD1-CG2 4.04Å; L175-V180 HydrophobicContact CB-CG2 4.01Å; L175-V180 HydrophobicContact CD1-CG2 4.35Å; E178-V180 HydrophobicContact CB-CG2 4.26Å; E178-V180 PolarHBondContact O-N 3.17Å; V180-V182 HydrophobicContact CG1-CG2 4.24Å; V180-V182 PolarHBondContact O-N 3.23Å
181L96.1Very high89.2Confident77 Ų7760.8 Ų60.840%0.40330%0.3SS..EExtended strand (participates in β ladder)trans-71.5114.4165176.262.6000107.9V103 I119 E183V103-L181 HydrophobicContact CG2-CD1 4.24Å; I119-L181 HydrophobicContact CG1-CD1 4.04Å; L181-E183 HydrophobicContact CD1-CG 4.36Å; L181-E183 HydrophobicContact CD2-CG 4.29Å; L181-E183 HydrophobicContact CG-CG 4.01Å
182V96.9Very high89.1Confident1 Ų164.1 Ų64.11%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-99.3128.2173.7177.40000108.1S117 F118 T120 I134 N154 L158 V180S117-V182 CarbonylContact C-O 3.59Å; S117-V182 WeakPolarHBondContact CA-O 3.32Å; S117-V182 WeakPolarHBondContact CB-O 3.26Å; F118-V182 HydrophobicContact CD1-CB 4Å; F118-V182 HydrophobicContact CD1-CG1 4.18Å; F118-V182 HydrophobicContact CE1-CB 3.63Å; F118-V182 HydrophobicContact CE1-CG1 3.49Å; F118-V182 VanDerWaalsContact CE1-CG1 3.49Å; F118-V182 HydrophobicContact CE1-CG2 4.31Å; F118-V182 HydrophobicContact CE2-CB 4.44Å; F118-V182 HydrophobicContact CE2-CG2 4.38Å; F118-V182 HydrophobicContact CZ-CB 3.88Å; F118-V182 HydrophobicContact CZ-CG1 3.94Å; F118-V182 HydrophobicContact CZ-CG2 4.03Å; F118-V182 PolarHBondContact N-O 2.82Å; F118-V182 PolarHBondContact O-N 3.04Å; T120-V182 HydrophobicContact CG2-CG2 3.79Å; I134-V182 HydrophobicContact CD1-CG2 3.84Å; N154-V182 CarbonylContact O-C 3.59Å; N154-V182 VanDerWaalsContact O-CA 3.3Å; N154-V182 WeakPolarHBondContact O-CA 3.45Å; L158-V182 HydrophobicContact CD1-CG1 3.72Å; L158-V182 HydrophobicContact CD1-CG2 4.19Å; V180-V182 HydrophobicContact CG1-CG2 4.24Å; V180-V182 PolarHBondContact O-N 3.23Å
183E98.3Very high89.2Confident63 Ų6367.1 Ų67.129%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-124.8132.6172.1-52.2177.8101.100109K104 F116 L153 N154 L181K104-E183 IonicContact NZ-OE1 3.43Å; F116-E183 WeakPolarHBondContact O-CA 3.27Å; L153-E183 WeakPolarHBondContact CA-O 3.49Å; N154-E183 HydrophobicContact CB-CB 4.12Å; N154-E183 PolarHBondContact N-O 3.34Å; N154-E183 PolarHBondContact ND2-OE2 2.83Å; N154-E183 PolarHBondContact O-N 2.77Å; L181-E183 HydrophobicContact CD1-CG 4.36Å; L181-E183 HydrophobicContact CD2-CG 4.29Å; L181-E183 HydrophobicContact CG-CG 4.01Å
184M98.2Very high89.8Confident2 Ų266.4 Ų66.41%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-124.9136175.9-175.8-174.685.100109.4Y114 S115 F116 I137 I151 N152 L153 L167 I169 L186Y114-M184 HydrophobicContact CD1-CE 3.4Å; Y114-M184 HydrophobicContact CE1-CE 3.3Å; S115-M184 CarbonylContact C-O 3.5Å; S115-M184 VanDerWaalsContact CA-O 3.32Å; S115-M184 WeakPolarHBondContact CA-O 3.3Å; F116-M184 PolarHBondContact N-O 3.02Å; F116-M184 PolarHBondContact O-N 2.75Å; I137-M184 HydrophobicContact CD1-CE 3.67Å; I137-M184 HydrophobicContact CD1-SD 3.55Å; I137-M184 VanDerWaalsContact CD1-SD 3.55Å; I137-M184 HydrophobicContact CG2-CE 4.21Å; I151-M184 HydrophobicContact CD1-CG 3.98Å; I151-M184 HydrophobicContact CD1-SD 3.77Å; I151-M184 HydrophobicContact CG1-CG 4.11Å; I151-M184 HydrophobicContact CG1-SD 4.49Å; N152-M184 WeakPolarHBondContact O-CA 3.41Å; L153-M184 HydrophobicContact CD2-CB 3.75Å; L153-M184 HydrophobicContact CD2-CG 3.6Å; L153-M184 HydrophobicContact CD2-SD 4.32Å; L167-M184 HydrophobicContact CD2-SD 3.63Å; I169-M184 HydrophobicContact CD1-SD 3.96Å; M184-L186 HydrophobicContact CE-CD1 3.7Å; M184-L186 HydrophobicContact CE-CG 3.86Å; M184-L186 HydrophobicContact SD-CG 4.48Å
185E98.3Very high90.4Very high98 Ų9863.6 Ų63.646%0.45830%0.303SS..EExtended strand (participates in β ladder)trans-126.9131.3168.8-63.7178167.700109.9Y114 I151 N152Y114-E185 CarbonylContact O-C 3.57Å; Y114-E185 VanDerWaalsContact O-CA 3.3Å; Y114-E185 WeakPolarHBondContact O-CA 2.98Å; I151-E185 CarbonylContact C-O 3.57Å; I151-E185 WeakPolarHBondContact CA-O 3.36Å; N152-E185 HydrophobicContact CB-CB 4.35Å; N152-E185 PolarHBondContact N-O 3.08Å; N152-E185 PolarHBondContact O-N 3.42Å
186L97.7Very high91.3Very high0 Ų066.1 Ų66.10%031%0.314CS..EExtended strand (participates in β ladder)trans-112.5133.4169.7-69.1169.2000109.3E113 Y114 I139 Y149 S150 I151 M184E113-L186 WeakPolarHBondContact CA-O 3.38Å; Y114-L186 HydrophobicContact CD1-CD1 3.91Å; Y114-L186 HydrophobicContact CD1-CG 4.47Å; Y114-L186 PolarHBondContact N-O 2.95Å; Y114-L186 PolarHBondContact O-N 3.21Å; I139-L186 HydrophobicContact CD1-CD1 3.74Å; I139-L186 HydrophobicContact CD1-CD2 4.32Å; I139-L186 HydrophobicContact CG1-CD1 4.08Å; Y149-L186 HydrophobicContact CD2-CD2 3.29Å; Y149-L186 HydrophobicContact CE2-CD2 3.52Å; Y149-L186 HydrophobicContact CG-CD2 4.16Å; S150-L186 WeakPolarHBondContact O-CA 3.38Å; I151-L186 HydrophobicContact CB-CD2 3.74Å; I151-L186 HydrophobicContact CD1-CD2 4.03Å; I151-L186 HydrophobicContact CG1-CD2 3.95Å; M184-L186 HydrophobicContact CE-CD1 3.7Å; M184-L186 HydrophobicContact CE-CG 3.86Å; M184-L186 HydrophobicContact SD-CG 4.48Å
187V97.3Very high92.9Very high57 Ų5768.7 Ų68.735%0.34533%0.329SS..EExtended strand (participates in β ladder)trans-128.1133.5175.6-1750000109.1Y149 S150Y149-V187 CarbonylContact C-O 3.5Å; Y149-V187 WeakPolarHBondContact CA-O 3.27Å; Y149-V187 WeakPolarHBondContact CB-O 3.39Å; S150-V187 PolarHBondContact N-O 2.99Å; S150-V187 PolarHBondContact O-N 2.84Å
188R96.1Very high94.7Very high60 Ų6065.2 Ų65.223%0.22631%0.307CS..EExtended strand (participates in β ladder)trans-68.7140.2177.2-166.7-167.2-39.6-130.62110.7E110 T111 H144 Y145E110-R188 PolarHBondContact O-NH2 2.98Å; T111-R188 WeakPolarHBondContact O-CB 3.5Å; T111-R188 PolarHBondContact O-NE 3.32Å; T111-R188 PolarHBondContact O-NH2 2.77Å; H144-R188 VanDerWaalsContact O-CD 3.28Å; H144-R188 WeakPolarHBondContact O-CD 3.45Å; H144-R188 VanDerWaalsContact O-CG 3.3Å; H144-R188 WeakPolarHBondContact O-CG 3.45Å; H144-R188 PolarHBondContact O-NE 2.83Å; H144-R188 PolarHBondContact O-NH1 2.84Å; H144-R188 VanDerWaalsContact O-NH1 3.09Å; Y145-R188 HydrophobicContact CD1-CB 4.16Å; Y145-R188 HydrophobicContact CD1-CG 4.23Å; Y145-R188 HydrophobicContact CE1-CB 4.31Å
189K94.3Very high96Very high182 Ų18260.6 Ų60.679%0.79129%0.286SS*.  trans-84.70171.8-71.6-179.6177.4171.90112.7G148 Y149G148-K189 PolarHBondContact O-N 3.06Å; Y149-K189 VanDerWaalsContact O-CE 3.24Å; Y149-K189 WeakPolarHBondContact O-CE 3.07Å

Retrieved 189 of 189 residues in 102.6 ms (Link to these results)

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