A0A077Z9L8_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z9L8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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
1M48Very low73.1Confident239 Ų239100.3 Ų100.3100%1.17751%0.511SS*.  0129.10-75.3178.7166.600106.5
2A48Very low74.8Confident46 Ų4695 Ų9538%0.3848%0.483SS..  trans-63.2137.9-179.100000110.1D6 I107A2-D6 WeakPolarHBondContact CA-OD2 3.41Å; A2-D6 HydrophobicContact CB-CB 4.2Å; A2-D6 WeakPolarHBondContact CB-OD2 3.22Å; A2-I107 WeakPolarHBondContact O-CD1 3.34Å
3S56.2Low76.5Confident43 Ų4393.1 Ų93.130%0.30147%0.474SS..  trans-61.5147.4170.91780000109.1D5 D6S3-D5 PolarHBondContact O-N 2.8Å; S3-D5 VanDerWaalsContact O-N 3.14Å; S3-D5 PolarHBondContact OG-N 3Å; S3-D6 PolarHBondContact N-OD2 3.49Å; S3-D6 WeakPolarHBondContact O-CB 3.04Å; S3-D6 PolarHBondContact O-N 3.06Å
4T57.1Low77.9Confident13 Ų1395.4 Ų95.48%0.0848%0.48CS..G310 helixtrans-61.2-20.3171.738.50000113.8D6 V104 K105 P106 I107T4-D6 PolarHBondContact O-N 2.93Å; T4-V104 HydrophobicContact CG2-CG1 3.65Å; T4-K105 WeakPolarHBondContact CG2-O 3.41Å; T4-P106 WeakPolarHBondContact OG1-CA 3.39Å; T4-I107 HydrophobicContact CG2-CG1 4Å; T4-I107 PolarHBondContact OG1-N 2.79Å
5D62.1Low79.1Confident144 Ų14490.9 Ų90.977%0.7746%0.457SS*.G310 helixtrans-75-9.6171.9-70.7-24.7000112.8S3S3-D5 PolarHBondContact O-N 2.8Å; S3-D5 VanDerWaalsContact O-N 3.14Å; S3-D5 PolarHBondContact OG-N 3Å
6D75.3Confident80.2Confident103 Ų10385.2 Ų85.255%0.55143%0.429SS*.G310 helixtrans-80.9-20.7177-61.4-23.5000112.1A2 S3 T4 D8A2-D6 WeakPolarHBondContact CA-OD2 3.41Å; A2-D6 HydrophobicContact CB-CB 4.2Å; A2-D6 WeakPolarHBondContact CB-OD2 3.22Å; S3-D6 PolarHBondContact N-OD2 3.49Å; S3-D6 WeakPolarHBondContact O-CB 3.04Å; S3-D6 PolarHBondContact O-N 3.06Å; T4-D6 PolarHBondContact O-N 2.93Å; D6-D8 PolarHBondContact O-N 3.01Å
7Y84.1Confident81.2Confident60 Ų6084 Ų8424%0.23543%0.43CS..SBendtrans-83118.6178.9-61.6-71.4000110.3Q11 Q12 L15 I48Y7-Q11 HydrophobicContact CD1-CB 4.07Å; Y7-Q12 PolarHBondContact O-NE2 2.78Å; Y7-L15 HydrophobicContact CD1-CD1 4.19Å; Y7-L15 HydrophobicContact CE1-CD1 4.28Å; Y7-L15 HydrophobicContact CG-CD1 4.4Å; Y7-I48 HydrophobicContact CE1-CD1 4.31Å; Y7-I48 HydrophobicContact CE2-CD1 3.73Å; Y7-I48 VanDerWaalsContact OH-CD1 3.28Å; Y7-I48 WeakPolarHBondContact OH-CD1 3.18Å
8D90.2Very high82Confident76 Ų7685.6 Ų85.641%0.40643%0.431SS..  trans-61.9168167.27147.2000111.1D6 E10 Q11 Q12D6-D8 PolarHBondContact O-N 3.01Å; D8-E10 PolarHBondContact O-N 3.14Å; D8-E10 WeakPolarHBondContact OD1-CA 3.49Å; D8-E10 WeakPolarHBondContact OD1-CB 3.49Å; D8-E10 PolarHBondContact OD1-N 3.1Å; D8-Q11 PolarHBondContact O-N 2.87Å; D8-Q11 WeakPolarHBondContact OD1-CG 3.36Å; D8-Q11 PolarHBondContact OD1-N 2.87Å; D8-Q11 PolarHBondContact OD2-NE2 3.28Å; D8-Q11 VanDerWaalsContact OD2-NE2 3.12Å; D8-Q12 WeakPolarHBondContact O-CG 3.3Å; D8-Q12 PolarHBondContact O-N 3.37Å
9K93.5Very high82.8Confident140 Ų14081.3 Ų81.361%0.60941%0.409SS*.Hα-helixtrans-58-36.4-178.4177.2178.6175.7-170.30112.7L13 V127K9-L13 HydrophobicContact CG-CD1 4.18Å; K9-L13 VanDerWaalsContact O-CG 3.28Å; K9-L13 WeakPolarHBondContact O-CG 3.44Å; K9-L13 PolarHBondContact O-N 3.1Å; K9-L13 VanDerWaalsContact O-N 3.07Å; K9-V127 HydrophobicContact CB-CG2 4.25Å; K9-V127 HydrophobicContact CG-CG1 4.43Å; K9-V127 HydrophobicContact CG-CG2 3.89Å
10E94.9Very high83.5Confident155 Ų15582.2 Ų82.272%0.72441%0.412SS*.Hα-helixtrans-72.9-41.9-176.6-61.6-176.6177.100110.6D8 L13 F14D8-E10 PolarHBondContact O-N 3.14Å; D8-E10 WeakPolarHBondContact OD1-CA 3.49Å; D8-E10 WeakPolarHBondContact OD1-CB 3.49Å; D8-E10 PolarHBondContact OD1-N 3.1Å; E10-L13 PolarHBondContact O-N 2.91Å; E10-F14 WeakPolarHBondContact O-CB 3.2Å; E10-F14 PolarHBondContact O-N 3.22Å
11Q94.5Very high84.2Confident84 Ų8479.2 Ų79.239%0.39340%0.397SS..Hα-helixtrans-61.4-43.9174-67.3173.88.300111.6Y7 D8 F14 L15Y7-Q11 HydrophobicContact CD1-CB 4.07Å; D8-Q11 PolarHBondContact O-N 2.87Å; D8-Q11 WeakPolarHBondContact OD1-CG 3.36Å; D8-Q11 PolarHBondContact OD1-N 2.87Å; D8-Q11 PolarHBondContact OD2-NE2 3.28Å; D8-Q11 VanDerWaalsContact OD2-NE2 3.12Å; Q11-F14 PolarHBondContact O-N 2.99Å; Q11-L15 VanDerWaalsContact O-CG 3.31Å; Q11-L15 WeakPolarHBondContact O-CG 3.42Å; Q11-L15 PolarHBondContact O-N 2.94Å
12Q94.2Very high86.5Confident37 Ų3771.6 Ų71.617%0.17336%0.36CS..Hα-helixtrans-62.4-43.7175.5-69.8-175.242.700111.9Y7 D8 F14 L15 L16 V104 V127Y7-Q12 PolarHBondContact O-NE2 2.78Å; D8-Q12 WeakPolarHBondContact O-CG 3.3Å; D8-Q12 PolarHBondContact O-N 3.37Å; Q12-F14 VanDerWaalsContact C-N 3.34Å; Q12-F14 PolarHBondContact O-N 3.28Å; Q12-L15 PolarHBondContact O-N 2.78Å; Q12-L16 WeakPolarHBondContact O-CB 3.43Å; Q12-L16 WeakPolarHBondContact O-CG 3.45Å; Q12-L16 PolarHBondContact O-N 3Å; Q12-V104 HydrophobicContact CB-CG2 4.26Å; Q12-V104 HydrophobicContact CG-CG2 4.19Å; Q12-V127 HydrophobicContact CB-CB 4.33Å; Q12-V127 HydrophobicContact CB-CG1 3.76Å
13L96.2Very high88.8Confident70 Ų7070.7 Ų70.737%0.36635%0.35SS..Hα-helixtrans-64.8-38.5176.8-73.2172.3000112.3K9 E10 L16 S17 V127 T129K9-L13 HydrophobicContact CG-CD1 4.18Å; K9-L13 VanDerWaalsContact O-CG 3.28Å; K9-L13 WeakPolarHBondContact O-CG 3.44Å; K9-L13 PolarHBondContact O-N 3.1Å; K9-L13 VanDerWaalsContact O-N 3.07Å; E10-L13 PolarHBondContact O-N 2.91Å; L13-L16 PolarHBondContact O-N 3.16Å; L13-S17 PolarHBondContact O-N 3.45Å; L13-S17 VanDerWaalsContact O-N 3.16Å; L13-V127 HydrophobicContact CD2-CG1 3.82Å; L13-V127 HydrophobicContact CG-CG1 3.83Å; L13-T129 HydrophobicContact CD2-CG2 3.81Å
14F96.4Very high90.7Very high125 Ų12572.8 Ų72.855%0.54836%0.358SS..Hα-helixtrans-61.5-49.5175.3179-103.1000111.2E10 Q11 Q12 L16 S17 Y18E10-F14 WeakPolarHBondContact O-CB 3.2Å; E10-F14 PolarHBondContact O-N 3.22Å; Q11-F14 PolarHBondContact O-N 2.99Å; Q12-F14 VanDerWaalsContact C-N 3.34Å; Q12-F14 PolarHBondContact O-N 3.28Å; F14-L16 VanDerWaalsContact C-N 3.33Å; F14-L16 PolarHBondContact O-N 2.84Å; F14-S17 VanDerWaalsContact O-CB 3.3Å; F14-S17 WeakPolarHBondContact O-CB 3.36Å; F14-S17 PolarHBondContact O-N 3.47Å; F14-S17 VanDerWaalsContact O-N 3.11Å; F14-S17 PolarHBondContact O-OG 2.98Å; F14-Y18 HydrophobicContact CD1-CE2 4.26Å; F14-Y18 AromaticContact CE1-CE2 3.75Å; F14-Y18 HydrophobicContact CE1-CE2 3.75Å; F14-Y18 HydrophobicContact CE2-CE2 4.2Å; F14-Y18 AromaticContact CZ-CE2 3.71Å; F14-Y18 HydrophobicContact CZ-CE2 3.71Å; F14-Y18 WeakPolarHBondContact CZ-OH 3.37Å; F14-Y18 WeakPolarHBondContact O-CD2 3.47Å
15L95.9Very high92.6Very high28 Ų2877.4 Ų77.415%0.14738%0.377CS..Hα-helixtrans-57.5-45175-70.9166.3000111.8Y7 Q11 Q12 S17 Y18 T46 I48 M50Y7-L15 HydrophobicContact CD1-CD1 4.19Å; Y7-L15 HydrophobicContact CE1-CD1 4.28Å; Y7-L15 HydrophobicContact CG-CD1 4.4Å; Q11-L15 VanDerWaalsContact O-CG 3.31Å; Q11-L15 WeakPolarHBondContact O-CG 3.42Å; Q11-L15 PolarHBondContact O-N 2.94Å; Q12-L15 PolarHBondContact O-N 2.78Å; L15-S17 PolarHBondContact O-N 3.16Å; L15-Y18 WeakPolarHBondContact O-CB 3.08Å; L15-Y18 PolarHBondContact O-N 3.08Å; L15-Y18 VanDerWaalsContact O-N 3.12Å; L15-T46 HydrophobicContact CB-CG2 4.46Å; L15-T46 HydrophobicContact CD2-CG2 4.22Å; L15-T46 WeakPolarHBondContact O-CG2 3.48Å; L15-I48 HydrophobicContact CD1-CD1 3.7Å; L15-I48 HydrophobicContact CD2-CD1 4.15Å; L15-M50 HydrophobicContact CB-CE 4.04Å
16L96.7Very high94.1Very high0 Ų070.8 Ų70.80%034%0.342CS..Hα-helixtrans-67.5-14.4180-70.5171.3000114Q12 L13 F14 Y18 V19 M50 V104 V127 T129Q12-L16 WeakPolarHBondContact O-CB 3.43Å; Q12-L16 WeakPolarHBondContact O-CG 3.45Å; Q12-L16 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 3.16Å; F14-L16 VanDerWaalsContact C-N 3.33Å; F14-L16 PolarHBondContact O-N 2.84Å; L16-Y18 VanDerWaalsContact C-N 3.26Å; L16-Y18 PolarHBondContact O-N 2.82Å; L16-V19 HydrophobicContact CD2-CG2 4.3Å; L16-V19 PolarHBondContact O-N 2.85Å; L16-M50 HydrophobicContact CD2-SD 3.66Å; L16-V104 HydrophobicContact CD2-CG2 4.45Å; L16-V104 HydrophobicContact CG-CG2 4.33Å; L16-V127 HydrophobicContact CD1-CG1 4.44Å; L16-T129 HydrophobicContact CB-CG2 3.53Å; L16-T129 HydrophobicContact CD1-CG2 3.95Å; L16-T129 HydrophobicContact CG-CG2 4.38Å
17S96.7Very high95Very high65 Ų6570.2 Ų70.246%0.45533%0.334SS..Hα-helixtrans-68.2-27.4172.679.60000112.7L13 F14 L15 V19 K131L13-S17 PolarHBondContact O-N 3.45Å; L13-S17 VanDerWaalsContact O-N 3.16Å; F14-S17 VanDerWaalsContact O-CB 3.3Å; F14-S17 WeakPolarHBondContact O-CB 3.36Å; F14-S17 PolarHBondContact O-N 3.47Å; F14-S17 VanDerWaalsContact O-N 3.11Å; F14-S17 PolarHBondContact O-OG 2.98Å; L15-S17 PolarHBondContact O-N 3.16Å; S17-V19 PolarHBondContact O-N 2.68Å; S17-K131 PolarHBondContact O-NZ 2.88Å
18Y96.9Very high95.4Very high112 Ų11267.4 Ų67.444%0.43932%0.323SS..THydrogen-bonded Turntrans-82.45.3177.1-67.9-84.4000113.7F14 L15 L16 A45 T46F14-Y18 HydrophobicContact CD1-CE2 4.26Å; F14-Y18 AromaticContact CE1-CE2 3.75Å; F14-Y18 HydrophobicContact CE1-CE2 3.75Å; F14-Y18 HydrophobicContact CE2-CE2 4.2Å; F14-Y18 AromaticContact CZ-CE2 3.71Å; F14-Y18 HydrophobicContact CZ-CE2 3.71Å; F14-Y18 WeakPolarHBondContact CZ-OH 3.37Å; F14-Y18 WeakPolarHBondContact O-CD2 3.47Å; L15-Y18 WeakPolarHBondContact O-CB 3.08Å; L15-Y18 PolarHBondContact O-N 3.08Å; L15-Y18 VanDerWaalsContact O-N 3.12Å; L16-Y18 VanDerWaalsContact C-N 3.26Å; L16-Y18 PolarHBondContact O-N 2.82Å; Y18-A45 PolarHBondContact O-N 3.03Å; Y18-T46 HydrophobicContact CG-CG2 4.4Å
19V97.1Very high95.4Very high4 Ų464.5 Ų64.52%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-83.6125.4168.1179.30000109.1L16 S17 V42 G43 M50 T102 K131L16-V19 HydrophobicContact CD2-CG2 4.3Å; L16-V19 PolarHBondContact O-N 2.85Å; S17-V19 PolarHBondContact O-N 2.68Å; V19-V42 HydrophobicContact CG1-CG1 4.04Å; V19-G43 WeakPolarHBondContact CA-O 3.36Å; V19-M50 HydrophobicContact CG2-CG 4.07Å; V19-T102 HydrophobicContact CG1-CG2 3.74Å; V19-K131 WeakPolarHBondContact O-CE 3.19Å; V19-K131 PolarHBondContact O-NZ 3.07Å
20E97.1Very high95.3Very high99 Ų9958.2 Ų58.246%0.46328%0.281SS..EExtended strand (participates in β ladder)trans-106145.4-178-64.5-174.4169.700111.1V42 G43E20-V42 WeakPolarHBondContact O-CA 3.33Å; E20-G43 PolarHBondContact N-O 3.27Å; E20-G43 PolarHBondContact O-N 3.24Å
21L97.6Very high95Very high20 Ų2051 Ų5111%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-129117174-174.973.5000108.1I40 M41 V42 V100 K131 A133L21-I40 HydrophobicContact CD1-CG2 3.44Å; L21-I40 VanDerWaalsContact CD1-CG2 3.44Å; L21-I40 HydrophobicContact CG-CG2 4Å; L21-M41 WeakPolarHBondContact CA-O 3.38Å; L21-V42 HydrophobicContact CD1-CG2 3.84Å; L21-V100 HydrophobicContact CD1-CB 4.13Å; L21-V100 HydrophobicContact CD1-CG2 3.57Å; L21-V100 HydrophobicContact CD2-CB 4.48Å; L21-V100 HydrophobicContact CD2-CG2 4.18Å; L21-K131 HydrophobicContact CB-CB 3.75Å; L21-K131 HydrophobicContact CB-CG 4.38Å; L21-K131 HydrophobicContact CD2-CB 3.75Å; L21-K131 HydrophobicContact CG-CB 4.33Å; L21-A133 HydrophobicContact CD2-CB 4.03Å
22M96.6Very high94.7Very high79 Ų7950.4 Ų50.439%0.38925%0.25SC..EExtended strand (participates in β ladder)trans-136.5135.3-177.8-66.5-165.6-73.200111.8I40 M41M22-I40 CarbonylContact O-C 3.6Å; M22-I40 WeakPolarHBondContact O-CA 3.38Å; M22-M41 HydrophobicContact CE-CE 3.21Å; M22-M41 PolarHBondContact N-O 3.07Å; M22-M41 PolarHBondContact O-N 2.76Å
23P96.8Very high94.4Very high28 Ų2851.8 Ų51.818%0.18226%0.261CS..  cis-75.8157.2-6.234.3-36.6000112.1K25 I26 A133 S155P23-K25 VanDerWaalsContact C-N 3.3Å; P23-I26 HydrophobicContact CG-CG1 3.83Å; P23-A133 WeakPolarHBondContact O-CB 3.49Å; P23-S155 WeakPolarHBondContact CB-OG 3.39Å
24D95Very high94.1Very high87 Ų8749.7 Ų49.747%0.46525%0.249SC..SBendtrans-82.6-10.5172.373.1-27.4000112.7A133 L134D24-A133 CarbonylContact O-C 3.55Å; D24-A133 VanDerWaalsContact O-CA 3.26Å; D24-A133 WeakPolarHBondContact O-CA 3.31Å; D24-L134 PolarHBondContact O-N 3.33Å
25K96.3Very high93.8Very high110 Ų11048.1 Ų48.148%0.47824%0.242SC..EExtended strand (participates in β ladder)trans-135.6121.7176.3-65.6174.5-170.2172.40109.4P23 L134P23-K25 VanDerWaalsContact C-N 3.3Å; K25-L134 CarbonylContact C-O 3.59Å; K25-L134 WeakPolarHBondContact CA-O 3.35Å
26I95Very high93.7Very high4 Ų447.1 Ų47.12%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-115.4124.2-176.8-58.1159.4000107.6P23 M28 A38 I40 L81 A133 L134 I135 N136P23-I26 HydrophobicContact CG-CG1 3.83Å; I26-M28 HydrophobicContact CG2-CE 4.06Å; I26-M28 HydrophobicContact CG2-CG 3.94Å; I26-A38 HydrophobicContact CG2-CB 3.52Å; I26-I40 HydrophobicContact CD1-CD1 3.39Å; I26-I40 HydrophobicContact CD1-CG1 3.6Å; I26-L81 HydrophobicContact CD1-CD2 4.22Å; I26-A133 HydrophobicContact CD1-CB 3.73Å; I26-A133 HydrophobicContact CG1-CB 4.35Å; I26-L134 PolarHBondContact N-O 3.03Å; I26-I135 HydrophobicContact CB-CD1 3.79Å; I26-I135 HydrophobicContact CD1-CD1 3.71Å; I26-I135 HydrophobicContact CG1-CD1 4.31Å; I26-I135 HydrophobicContact CG2-CD1 4.22Å; I26-I135 WeakPolarHBondContact O-CA 3.28Å; I26-N136 PolarHBondContact O-N 2.87Å
27K93.5Very high93.6Very high91 Ų9148.2 Ų48.240%0.39624%0.243SC..EExtended strand (participates in β ladder)trans-88.9133.7169.8-67.7-163.6-172.7172.70110.1N136 T154K27-N136 VanDerWaalsContact CA-O 3.31Å; K27-N136 WeakPolarHBondContact CA-O 3.4Å; K27-N136 HydrophobicContact CG-CB 4.42Å; K27-T154 HydrophobicContact CD-CG2 3.57Å; K27-T154 HydrophobicContact CG-CG2 4.03Å
28M92.4Very high93.5Very high2 Ų245.2 Ų45.21%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-134.9145.9176.4-66.1-167.2148.300110.9I26 P30 A38 L62 L81 L83 I135 N136 Y137 C138I26-M28 HydrophobicContact CG2-CE 4.06Å; I26-M28 HydrophobicContact CG2-CG 3.94Å; M28-P30 WeakPolarHBondContact O-CD 3.28Å; M28-A38 HydrophobicContact CE-CB 3.44Å; M28-A38 VanDerWaalsContact CE-CB 3.44Å; M28-L62 HydrophobicContact SD-CD2 3.93Å; M28-L81 HydrophobicContact CE-CB 4.22Å; M28-L81 HydrophobicContact CE-CD2 3.43Å; M28-L81 VanDerWaalsContact CE-CD2 3.43Å; M28-L81 HydrophobicContact CE-CG 3.77Å; M28-L81 HydrophobicContact SD-CD2 4.14Å; M28-L83 HydrophobicContact CB-CD2 3.88Å; M28-L83 HydrophobicContact CE-CB 4.44Å; M28-L83 HydrophobicContact SD-CB 3.79Å; M28-L83 HydrophobicContact SD-CD2 4.21Å; M28-I135 HydrophobicContact CB-CG2 4.37Å; M28-I135 HydrophobicContact CG-CG2 4.24Å; M28-I135 HydrophobicContact SD-CG2 4.17Å; M28-N136 PolarHBondContact N-O 3.46Å; M28-Y137 HydrophobicContact CB-CD1 4.2Å; M28-Y137 HydrophobicContact CB-CE1 4.41Å; M28-Y137 CarbonylContact O-C 3.5Å; M28-Y137 VanDerWaalsContact O-CA 3.28Å; M28-Y137 WeakPolarHBondContact O-CA 3.45Å; M28-C138 PolarHBondContact O-N 2.96Å
29H90.7Very high93.5Very high14 Ų1442.8 Ų42.87%0.06522%0.217CC..  trans-113.297.5178.1-71.3-99.1000109.6S31 R36 C138 V142 W151H29-S31 PolarHBondContact O-N 3.28Å; H29-R36 WeakPolarHBondContact O-CG 3.49Å; H29-R36 PolarHBondContact O-NE 3.03Å; H29-R36 VanDerWaalsContact O-NE 3.16Å; H29-C138 WeakPolarHBondContact CA-O 3.39Å; H29-C138 WeakPolarHBondContact CE1-CB 3.3Å; H29-C138 PolarHBondContact ND1-O 3.32Å; H29-V142 HydrophobicContact CB-CG2 4.13Å; H29-V142 WeakPolarHBondContact ND1-CG2 3.38Å; H29-W151 HydrophobicContact CB-CZ2 4.25Å; H29-W151 AromaticContact CD2-CD2 3.77Å; H29-W151 AromaticContact CD2-CE2 3.75Å; H29-W151 AromaticContact CD2-CE3 3.55Å; H29-W151 AromaticContact CD2-CH2 3.34Å; H29-W151 WeakPolarHBondContact CD2-CH2 3.31Å; H29-W151 AromaticContact CD2-CZ2 3.56Å; H29-W151 AromaticContact CD2-CZ3 3.33Å; H29-W151 WeakPolarHBondContact CD2-CZ3 3.37Å; H29-W151 AromaticContact CE1-CH2 3.95Å; H29-W151 AromaticContact CG-CH2 3.89Å; H29-W151 AromaticContact CG-CZ2 3.9Å; H29-W151 AromaticContact NE2-CE3 3.73Å; H29-W151 AromaticContact NE2-CH2 3.42Å; H29-W151 WeakPolarHBondContact NE2-CH2 3.41Å; H29-W151 AromaticContact NE2-CZ3 3.18Å; H29-W151 WeakPolarHBondContact NE2-CZ3 3.32Å
30P91.2Very high93.5Very high9 Ų942.6 Ų42.66%0.05822%0.216CC..  trans-51.9141.3175.3-22.532.9000111M28 L83 V86 F91 Y137 F139M28-P30 WeakPolarHBondContact O-CD 3.28Å; P30-L83 HydrophobicContact CB-CD2 4.36Å; P30-L83 HydrophobicContact CG-CD2 4.21Å; P30-V86 HydrophobicContact CB-CG1 4.27Å; P30-V86 HydrophobicContact CB-CG2 3.68Å; P30-F91 HydrophobicContact CB-CD1 4.43Å; P30-F91 HydrophobicContact CB-CE1 4Å; P30-F91 HydrophobicContact CB-CZ 4.42Å; P30-F91 HydrophobicContact CG-CE1 3.64Å; P30-F91 HydrophobicContact CG-CZ 3.96Å; P30-Y137 HydrophobicContact CG-CD1 3.66Å; P30-Y137 HydrophobicContact CG-CE1 4.41Å; P30-Y137 HydrophobicContact CG-CG 4.19Å; P30-F139 HydrophobicContact CB-CE1 4.33Å; P30-F139 HydrophobicContact CG-CE1 4.08Å; P30-F139 HydrophobicContact CG-CZ 3.99Å
31S88.7Confident93.6Very high4 Ų439.7 Ų39.73%0.02820%0.202CC..  trans-142.4143.7178.7168.90000110.1H29 T33 Q34 K85 V86H29-S31 PolarHBondContact O-N 3.28Å; S31-T33 PolarHBondContact OG-N 2.69Å; S31-T33 VanDerWaalsContact OG-N 3.1Å; S31-T33 PolarHBondContact OG-OG1 3.31Å; S31-Q34 WeakPolarHBondContact CB-O 3.45Å; S31-Q34 PolarHBondContact OG-N 2.83Å; S31-Q34 VanDerWaalsContact OG-N 3.1Å; S31-K85 CarbonylContact O-C 3.56Å; S31-K85 WeakPolarHBondContact O-CA 3.47Å; S31-V86 PolarHBondContact O-N 2.96Å
32T88.9Confident93.6Very high70 Ų7038.8 Ų38.843%0.42920%0.198SC..SBendtrans-80.1-21.4173.651.10000112.2V86 Y88T32-V86 VanDerWaalsContact CA-O 3.3Å; T32-V86 WeakPolarHBondContact CA-O 3.4Å; T32-V86 WeakPolarHBondContact CG2-O 3.37Å; T32-Y88 HydrophobicContact CG2-CD2 3.5Å; T32-Y88 VanDerWaalsContact CG2-CD2 3.5Å; T32-Y88 HydrophobicContact CG2-CE2 3.29Å; T32-Y88 HydrophobicContact CG2-CG 4.33Å
33T87.7Confident93.7Very high66 Ų6635.4 Ų35.441%0.40518%0.183SC..SBendtrans-103.4-29.7-171.157.10000112.4S31 K85 D144S31-T33 PolarHBondContact OG-N 2.69Å; S31-T33 VanDerWaalsContact OG-N 3.1Å; S31-T33 PolarHBondContact OG-OG1 3.31Å; T33-K85 WeakPolarHBondContact O-CD 3.36Å; T33-K85 WeakPolarHBondContact O-CE 3.3Å; T33-K85 PolarHBondContact O-NZ 2.76Å; T33-D144 PolarHBondContact OG1-OD2 3.15Å; T33-D144 VanDerWaalsContact OG1-OD2 3.06Å
34Q88.4Confident93.7Very high26 Ų2634.2 Ų34.212%0.12118%0.175CC..  trans-135.1146-169.5-64.5-179.75.500112.2S31 R36 T145S31-Q34 WeakPolarHBondContact CB-O 3.45Å; S31-Q34 PolarHBondContact OG-N 2.83Å; S31-Q34 VanDerWaalsContact OG-N 3.1Å; Q34-R36 VanDerWaalsContact CB-NH1 3.29Å; Q34-T145 PolarHBondContact NE2-O 2.97Å; Q34-T145 PolarHBondContact OE1-O 3.42Å
35F91.2Very high93.8Very high92 Ų9231.7 Ų31.740%0.40417%0.166SC..  trans-78.3154.2165.165.6-91.3000109.1V37 Y82 L83F35-V37 HydrophobicContact CD2-CG2 3.83Å; F35-V37 HydrophobicContact CE2-CG2 3.72Å; F35-Y82 HydrophobicContact CD2-CD1 4.05Å; F35-Y82 HydrophobicContact CE2-CD1 4.25Å; F35-Y82 HydrophobicContact CE2-CE1 4.38Å; F35-L83 CarbonylContact C-O 3.59Å; F35-L83 WeakPolarHBondContact CA-O 3.26Å; F35-L83 WeakPolarHBondContact CB-O 3.38Å
36R93Very high93.8Very high8 Ų826.8 Ų26.83%0.0315%0.146CC..EExtended strand (participates in β ladder)trans-113.3156.3172.1-54-58.4-178.2-148.82.5110.5H29 Q34 Y82 L83 D144H29-R36 WeakPolarHBondContact O-CG 3.49Å; H29-R36 PolarHBondContact O-NE 3.03Å; H29-R36 VanDerWaalsContact O-NE 3.16Å; Q34-R36 VanDerWaalsContact CB-NH1 3.29Å; R36-Y82 CarbonylContact O-C 3.57Å; R36-Y82 WeakPolarHBondContact O-CA 3.42Å; R36-L83 HydrophobicContact CB-CB 4.23Å; R36-L83 PolarHBondContact N-O 2.68Å; R36-L83 PolarHBondContact O-N 2.91Å; R36-D144 IonicContact NH2-OD1 3.65Å; R36-D144 PolarHBondContact NH2-OD1 3.39Å
37V94.6Very high93.7Very high22 Ų2232.6 Ų32.613%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-128.8136.8179.3-177.40000109.8F35 V80 L81 Y82F35-V37 HydrophobicContact CD2-CG2 3.83Å; F35-V37 HydrophobicContact CE2-CG2 3.72Å; V37-V80 HydrophobicContact CG1-CG1 3.46Å; V37-V80 VanDerWaalsContact CG1-CG1 3.46Å; V37-L81 WeakPolarHBondContact CA-O 3.36Å; V37-Y82 HydrophobicContact CG2-CD1 3.72Å; V37-Y82 HydrophobicContact CG2-CE1 3.87Å
38A95.4Very high93.7Very high3 Ų329.4 Ų29.43%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-125.7151.9163.600000110I26 M28 L81I26-A38 HydrophobicContact CG2-CB 3.52Å; M28-A38 HydrophobicContact CE-CB 3.44Å; M28-A38 VanDerWaalsContact CE-CB 3.44Å; A38-L81 PolarHBondContact N-O 2.81Å; A38-L81 PolarHBondContact O-N 2.87Å
39L96.8Very high93.7Very high61 Ų6131.1 Ų31.132%0.31917%0.171SC..EExtended strand (participates in β ladder)trans-105.3134.2173.4-64.9177.2000109.4F78 V80 L150L39-F78 HydrophobicContact CB-CD1 4.39Å; L39-V80 HydrophobicContact CD2-CB 4.39Å; L39-V80 HydrophobicContact CD2-CG1 4.4Å; L39-V80 HydrophobicContact CD2-CG2 3.86Å; L39-L150 HydrophobicContact CD1-CD1 4.17Å; L39-L150 HydrophobicContact CG-CD1 4.33Å
40I97.4Very high93.9Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans-123.1120.3175.8-48.1172000107.4L21 M22 I26 F78 I79 L81 V98L21-I40 HydrophobicContact CD1-CG2 3.44Å; L21-I40 VanDerWaalsContact CD1-CG2 3.44Å; L21-I40 HydrophobicContact CG-CG2 4Å; M22-I40 CarbonylContact O-C 3.6Å; M22-I40 WeakPolarHBondContact O-CA 3.38Å; I26-I40 HydrophobicContact CD1-CD1 3.39Å; I26-I40 HydrophobicContact CD1-CG1 3.6Å; I40-F78 CarbonylContact O-C 3.59Å; I40-F78 WeakPolarHBondContact O-CA 3.4Å; I40-I79 HydrophobicContact CB-CB 4.32Å; I40-I79 PolarHBondContact N-O 2.85Å; I40-I79 PolarHBondContact O-N 2.85Å; I40-L81 HydrophobicContact CD1-CB 4.15Å; I40-L81 HydrophobicContact CD1-CD2 4.2Å; I40-V98 HydrophobicContact CD1-CB 4.17Å; I40-V98 HydrophobicContact CD1-CG1 3.93Å; I40-V98 HydrophobicContact CD1-CG2 3.96Å
41M98.1Very high94.1Very high37 Ų3730.3 Ų30.318%0.18217%0.166CC..EExtended strand (participates in β ladder)trans-85.3133.7175-167.6-17278.100110.3L21 M22 A76 T77 F78L21-M41 WeakPolarHBondContact CA-O 3.38Å; M22-M41 HydrophobicContact CE-CE 3.21Å; M22-M41 PolarHBondContact N-O 3.07Å; M22-M41 PolarHBondContact O-N 2.76Å; M41-A76 HydrophobicContact CG-CB 3.97Å; M41-A76 HydrophobicContact SD-CB 4.03Å; M41-T77 WeakPolarHBondContact CA-O 3.18Å; M41-F78 HydrophobicContact CB-CD1 4.07Å; M41-F78 HydrophobicContact CB-CE1 3.81Å; M41-F78 HydrophobicContact CG-CD1 4.4Å; M41-F78 HydrophobicContact CG-CE1 3.97Å; M41-F78 HydrophobicContact CG-CZ 4.25Å
42V98Very high94.5Very high2 Ų230.2 Ų30.21%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-110.6113.5165-174.20000107.5V19 E20 L21 V71 A76 T77 I79 V100V19-V42 HydrophobicContact CG1-CG1 4.04Å; E20-V42 WeakPolarHBondContact O-CA 3.33Å; L21-V42 HydrophobicContact CD1-CG2 3.84Å; V42-V71 HydrophobicContact CB-CG2 4.42Å; V42-V71 HydrophobicContact CG1-CG2 4.08Å; V42-A76 VanDerWaalsContact O-CA 3.3Å; V42-A76 WeakPolarHBondContact O-CA 3.47Å; V42-T77 HydrophobicContact CB-CG2 4.14Å; V42-T77 PolarHBondContact N-O 2.84Å; V42-T77 PolarHBondContact O-N 2.95Å; V42-I79 HydrophobicContact CG2-CD1 3.46Å; V42-I79 VanDerWaalsContact CG2-CD1 3.46Å; V42-I79 HydrophobicContact CG2-CG1 4.19Å; V42-V100 HydrophobicContact CG2-CG1 4.13Å
43G97.8Very high94.9Very high7 Ų730.2 Ų30.27%0.07216%0.158CC..EExtended strand (participates in β ladder)trans-102.5141.6-179.500000111.8V19 E20V19-G43 WeakPolarHBondContact CA-O 3.36Å; E20-G43 PolarHBondContact N-O 3.27Å; E20-G43 PolarHBondContact O-N 3.24Å
44N97.8Very high95.4Very high3 Ų327.4 Ų27.42%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-11799.7173.3177.615.5000109.6T46 I48 M50 V71 E72 R74 G75N44-T46 PolarHBondContact O-N 2.82Å; N44-T46 WeakPolarHBondContact OD1-CB 3.21Å; N44-T46 PolarHBondContact OD1-N 2.78Å; N44-T46 PolarHBondContact OD1-OG1 2.83Å; N44-I48 PolarHBondContact ND2-O 2.86Å; N44-M50 HydrophobicContact CB-CG 4.46Å; N44-V71 HydrophobicContact CB-CB 3.91Å; N44-V71 HydrophobicContact CB-CG1 3.48Å; N44-V71 VanDerWaalsContact CB-CG1 3.48Å; N44-V71 PolarHBondContact ND2-O 3.39Å; N44-E72 PolarHBondContact ND2-O 3.13Å; N44-R74 CarbonylContact O-C 3.58Å; N44-R74 WeakPolarHBondContact O-CA 3.34Å; N44-R74 PolarHBondContact O-N 2.89Å; N44-G75 PolarHBondContact N-O 3.37Å; N44-G75 PolarHBondContact O-N 2.92Å
45A97Very high95.8Very high35 Ų3529 Ų2929%0.28915%0.148SC..  trans-83.310.9177.700000113.5Y18 R74Y18-A45 PolarHBondContact O-N 3.03Å; A45-R74 VanDerWaalsContact O-CZ 3.23Å; A45-R74 PolarHBondContact O-NH1 2.91Å
46T95.7Very high96.2Very high7 Ų725.6 Ų25.64%0.04314%0.135CC..SBendtrans-98.2170.1179.377.10000112.4L15 Y18 N44 I48 M50 P73 R74L15-T46 HydrophobicContact CB-CG2 4.46Å; L15-T46 HydrophobicContact CD2-CG2 4.22Å; L15-T46 WeakPolarHBondContact O-CG2 3.48Å; Y18-T46 HydrophobicContact CG-CG2 4.4Å; N44-T46 PolarHBondContact O-N 2.82Å; N44-T46 WeakPolarHBondContact OD1-CB 3.21Å; N44-T46 PolarHBondContact OD1-N 2.78Å; N44-T46 PolarHBondContact OD1-OG1 2.83Å; T46-I48 VanDerWaalsContact C-N 3.27Å; T46-I48 PolarHBondContact OG1-N 3.44Å; T46-I48 PolarHBondContact OG1-O 2.78Å; T46-M50 HydrophobicContact CG2-CE 3.88Å; T46-M50 VanDerWaalsContact OG1-CE 3.23Å; T46-M50 WeakPolarHBondContact OG1-CE 3.42Å; T46-P73 WeakPolarHBondContact O-CA 3.47Å; T46-R74 PolarHBondContact O-N 2.94Å
47E94.3Very high96.4Very high125 Ų12527.8 Ų27.858%0.58415%0.149SC*.SBendtrans-87.19.1173.3-58.7-60163.600113.2R74E47-R74 IonicContact OE1-CZ 3.12Å; E47-R74 IonicContact OE1-NE 3.13Å; E47-R74 PolarHBondContact OE1-NE 3.02Å; E47-R74 IonicContact OE1-NH2 2.68Å; E47-R74 PolarHBondContact OE1-NH2 2.65Å; E47-R74 IonicContact OE2-NE 2.78Å
48I92.5Very high96.4Very high25 Ų2527.2 Ų27.213%0.12815%0.145CC..SBendtrans-125.6136.2-172.4-57.6170.8000108.6Y7 L15 N44 T46 M50 V104Y7-I48 HydrophobicContact CE1-CD1 4.31Å; Y7-I48 HydrophobicContact CE2-CD1 3.73Å; Y7-I48 VanDerWaalsContact OH-CD1 3.28Å; Y7-I48 WeakPolarHBondContact OH-CD1 3.18Å; L15-I48 HydrophobicContact CD1-CD1 3.7Å; L15-I48 HydrophobicContact CD2-CD1 4.15Å; N44-I48 PolarHBondContact ND2-O 2.86Å; T46-I48 VanDerWaalsContact C-N 3.27Å; T46-I48 PolarHBondContact OG1-N 3.44Å; T46-I48 PolarHBondContact OG1-O 2.78Å; I48-M50 HydrophobicContact CB-CE 4.41Å; I48-M50 PolarHBondContact O-N 3.26Å; I48-V104 HydrophobicContact CG2-CG1 3.72Å
49P93.4Very high96.4Very high38 Ų3830.5 Ų30.525%0.24717%0.166CC..  trans-63138.3177.525.8-34.5000111.3T70 K105P49-T70 HydrophobicContact CB-CG2 4.23Å; P49-K105 HydrophobicContact CB-CB 4.22Å; P49-K105 HydrophobicContact CB-CD 4.14Å; P49-K105 HydrophobicContact CG-CB 4.3Å; P49-K105 HydrophobicContact CG-CD 4.41Å; P49-K105 WeakPolarHBondContact O-CB 3.41Å; P49-K105 PolarHBondContact O-N 3Å
50M94.2Very high96.3Very high3 Ų334.4 Ų34.42%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-114.1145.1178.4-62.7-65.5170.400109.4L15 L16 V19 N44 T46 I48 T70 V71 V104L15-M50 HydrophobicContact CB-CE 4.04Å; L16-M50 HydrophobicContact CD2-SD 3.66Å; V19-M50 HydrophobicContact CG2-CG 4.07Å; N44-M50 HydrophobicContact CB-CG 4.46Å; T46-M50 HydrophobicContact CG2-CE 3.88Å; T46-M50 VanDerWaalsContact OG1-CE 3.23Å; T46-M50 WeakPolarHBondContact OG1-CE 3.42Å; I48-M50 HydrophobicContact CB-CE 4.41Å; I48-M50 PolarHBondContact O-N 3.26Å; M50-T70 CarbonylContact O-C 3.54Å; M50-T70 VanDerWaalsContact O-CA 3.22Å; M50-T70 WeakPolarHBondContact O-CA 3.48Å; M50-T70 WeakPolarHBondContact O-CG2 3.39Å; M50-V71 PolarHBondContact N-O 2.97Å; M50-V71 PolarHBondContact O-N 3.35Å; M50-V104 HydrophobicContact CE-CG2 4.14Å; M50-V104 HydrophobicContact SD-CB 4.31Å; M50-V104 HydrophobicContact SD-CG2 3.94Å
51T95.1Very high96.2Very high2 Ų235.3 Ų35.31%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-109.7150.7169.3-177.30000110.3G69 T102 A103 F117 W118T51-G69 CarbonylContact C-O 3.5Å; T51-G69 VanDerWaalsContact CA-O 3.26Å; T51-G69 WeakPolarHBondContact CA-O 3.34Å; T51-G69 WeakPolarHBondContact CB-O 3.48Å; T51-G69 PolarHBondContact OG1-O 3.34Å; T51-T102 VanDerWaalsContact O-CA 3.31Å; T51-T102 WeakPolarHBondContact O-CA 3.44Å; T51-A103 HydrophobicContact CG2-CB 4.2Å; T51-A103 PolarHBondContact N-O 3.4Å; T51-A103 PolarHBondContact O-N 2.62Å; T51-F117 HydrophobicContact CG2-CD1 3.41Å; T51-F117 VanDerWaalsContact CG2-CD1 3.41Å; T51-F117 HydrophobicContact CG2-CE1 3.54Å; T51-W118 HydrophobicContact CG2-CZ2 4.03Å; T51-W118 PolarHBondContact OG1-NE1 2.99Å
52F96.9Very high96.1Very high2 Ų233.5 Ų33.51%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-133.7157.1178.368.3-88000112.2V54 P66 Y68 G69 V71 T77 I79 V100 S101 T102 W118F52-V54 HydrophobicContact CD2-CG2 3.72Å; F52-V54 HydrophobicContact CE2-CG2 3.81Å; F52-P66 HydrophobicContact CE2-CG 4.35Å; F52-P66 HydrophobicContact CZ-CG 4.06Å; F52-Y68 WeakPolarHBondContact O-CA 3.42Å; F52-G69 WeakPolarHBondContact CD1-O 3.49Å; F52-G69 PolarHBondContact N-O 2.82Å; F52-G69 PolarHBondContact O-N 3.2Å; F52-G69 VanDerWaalsContact O-N 3.11Å; F52-V71 HydrophobicContact CD1-CG2 3.82Å; F52-V71 HydrophobicContact CE1-CG2 3.95Å; F52-T77 HydrophobicContact CD1-CG2 4.48Å; F52-T77 HydrophobicContact CE1-CG2 3.59Å; F52-T77 HydrophobicContact CZ-CG2 3.82Å; F52-I79 HydrophobicContact CD2-CD1 4.46Å; F52-I79 HydrophobicContact CE2-CD1 4.23Å; F52-I79 HydrophobicContact CE2-CG1 4.13Å; F52-V100 HydrophobicContact CB-CG1 3.94Å; F52-V100 HydrophobicContact CD2-CG1 4.47Å; F52-S101 CarbonylContact C-O 3.47Å; F52-S101 WeakPolarHBondContact CA-O 3.42Å; F52-T102 HydrophobicContact CB-CG2 3.88Å; F52-W118 PolarHBondContact O-NE1 3.27Å
53R97.5Very high96.1Very high71 Ų7139.5 Ų39.527%0.26820%0.2SC..EExtended strand (participates in β ladder)trans-131137168.4174.3-177.1-178.3-148.9-12.7109.4E55 L67 Y68 V100 S101 W118R53-E55 IonicContact CZ-OE1 3.28Å; R53-E55 IonicContact NE-OE1 2.72Å; R53-E55 IonicContact NH1-OE1 3.81Å; R53-E55 PolarHBondContact NH1-OE1 3.06Å; R53-E55 VanDerWaalsContact NH1-OE1 3.13Å; R53-E55 IonicContact NH2-OE1 2.91Å; R53-E55 PolarHBondContact NH2-OE1 2.93Å; R53-L67 CarbonylContact C-O 3.5Å; R53-L67 WeakPolarHBondContact CA-O 3.31Å; R53-Y68 HydrophobicContact CB-CD1 3.92Å; R53-Y68 HydrophobicContact CB-CE1 4.02Å; R53-Y68 HydrophobicContact CG-CD1 3.88Å; R53-Y68 HydrophobicContact CG-CE1 3.51Å; R53-V100 WeakPolarHBondContact O-CA 3.3Å; R53-S101 PolarHBondContact N-O 2.87Å; R53-S101 PolarHBondContact O-N 3.08Å; R53-W118 HydrophobicContact CB-CD2 3.6Å; R53-W118 HydrophobicContact CB-CE3 3.78Å; R53-W118 HydrophobicContact CB-CG 4.03Å; R53-W118 HydrophobicContact CB-CH2 4.29Å; R53-W118 HydrophobicContact CB-CZ2 4.13Å; R53-W118 HydrophobicContact CB-CZ3 4.11Å
54V98.2Very high96.1Very high6 Ų639.9 Ų39.94%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-108.4132.2-179.1-163.60000110.6F52 P64 L67 I79 V98 I99 V100F52-V54 HydrophobicContact CD2-CG2 3.72Å; F52-V54 HydrophobicContact CE2-CG2 3.81Å; V54-P64 HydrophobicContact CB-CB 4.13Å; V54-P64 HydrophobicContact CB-CG 4.12Å; V54-P64 HydrophobicContact CG1-CB 3.55Å; V54-P64 HydrophobicContact CG1-CG 3.59Å; V54-L67 PolarHBondContact N-O 2.86Å; V54-I79 HydrophobicContact CG1-CD1 4.35Å; V54-I79 HydrophobicContact CG1-CG2 4.43Å; V54-I79 HydrophobicContact CG2-CD1 3.44Å; V54-I79 VanDerWaalsContact CG2-CD1 3.44Å; V54-I79 HydrophobicContact CG2-CG1 4.02Å; V54-I79 HydrophobicContact CG2-CG2 4.39Å; V54-V98 HydrophobicContact CG1-CG1 3.62Å; V54-I99 WeakPolarHBondContact CA-O 3.35Å; V54-V100 HydrophobicContact CG1-CG2 4.36Å
55E98Very high96.1Very high59 Ų5944 Ų4428%0.27622%0.223SC..EExtended strand (participates in β ladder)trans-128.5155.2172.8-61.2-178.8149.600109.9R53 V98 I99R53-E55 IonicContact CZ-OE1 3.28Å; R53-E55 IonicContact NE-OE1 2.72Å; R53-E55 IonicContact NH1-OE1 3.81Å; R53-E55 PolarHBondContact NH1-OE1 3.06Å; R53-E55 VanDerWaalsContact NH1-OE1 3.13Å; R53-E55 IonicContact NH2-OE1 2.91Å; R53-E55 PolarHBondContact NH2-OE1 2.93Å; E55-V98 WeakPolarHBondContact O-CA 3.49Å; E55-I99 HydrophobicContact CB-CB 4.4Å; E55-I99 PolarHBondContact N-O 2.74Å; E55-I99 PolarHBondContact O-N 2.88Å
56T97.9Very high96.1Very high22 Ų2244.5 Ų44.514%0.13522%0.223CC..EExtended strand (participates in β ladder)trans-127.5151.217270.20000110Q58 P59 L62 P64 L81 K97 V98T56-Q58 PolarHBondContact O-N 3.12Å; T56-P59 WeakPolarHBondContact OG1-CA 3.32Å; T56-L62 HydrophobicContact CG2-CB 3.95Å; T56-L62 PolarHBondContact OG1-O 2.82Å; T56-P64 HydrophobicContact CG2-CG 3.64Å; T56-L81 HydrophobicContact CG2-CD1 4.26Å; T56-K97 WeakPolarHBondContact CA-O 3.31Å; T56-V98 HydrophobicContact CG2-CG2 4.35Å
57T97.2Very high96.2Very high53 Ų5348 Ų4833%0.32524%0.242SC..SBendtrans-70.5-22173.850.20000112.3P59 R94 D96 K97T57-P59 VanDerWaalsContact C-CD 3.48Å; T57-P59 WeakPolarHBondContact O-CD 3.35Å; T57-R94 VanDerWaalsContact C-NH2 3.3Å; T57-R94 PolarHBondContact O-NH2 2.86Å; T57-D96 WeakPolarHBondContact OG1-CA 3.4Å; T57-D96 WeakPolarHBondContact OG1-CB 3.43Å; T57-D96 PolarHBondContact OG1-OD1 3.48Å; T57-K97 HydrophobicContact CG2-CB 3.86Å; T57-K97 HydrophobicContact CG2-CG 4.19Å; T57-K97 PolarHBondContact N-O 2.92Å; T57-K97 VanDerWaalsContact N-O 3.08Å; T57-K97 PolarHBondContact OG1-N 2.96Å
58Q94.8Very high96.3Very high11 Ų1144.5 Ų44.55%0.05122%0.223CC..  trans-124.966.3-177-159.6179.525.200111.8T56 E60 F61 L62 R94 D96 Y137T56-Q58 PolarHBondContact O-N 3.12Å; Q58-E60 PolarHBondContact O-N 3.37Å; Q58-F61 HydrophobicContact CG-CB 4.24Å; Q58-F61 HydrophobicContact CG-CD2 3.77Å; Q58-F61 HydrophobicContact CG-CG 4.5Å; Q58-F61 VanDerWaalsContact NE2-CD2 3.25Å; Q58-F61 PolarHBondContact O-N 3.11Å; Q58-F61 VanDerWaalsContact O-N 3.08Å; Q58-L62 HydrophobicContact CB-CD1 4.15Å; Q58-L62 HydrophobicContact CB-CG 4.38Å; Q58-L62 WeakPolarHBondContact O-CB 3.4Å; Q58-L62 PolarHBondContact O-N 2.95Å; Q58-R94 VanDerWaalsContact CB-NH2 3.33Å; Q58-D96 PolarHBondContact OE1-OD2 3.06Å; Q58-Y137 PolarHBondContact OE1-OH 3.3Å
59P95.7Very high96.4Very high71 Ų7144 Ų4446%0.46122%0.224SC..THydrogen-bonded Turntrans-63.8-18.6-173.226.8-36.1000113.9T56 T57 R63T56-P59 WeakPolarHBondContact OG1-CA 3.32Å; T57-P59 VanDerWaalsContact C-CD 3.48Å; T57-P59 WeakPolarHBondContact O-CD 3.35Å; P59-R63 WeakPolarHBondContact O-CD 3.34Å; P59-R63 PolarHBondContact O-NE 2.76Å; P59-R63 PolarHBondContact O-NH1 3.05Å; P59-R63 PolarHBondContact O-NH2 3.01Å
60E94.8Very high96.5Very high143 Ų14343.9 Ų43.967%0.66822%0.223SC*.THydrogen-bonded Turntrans-65.5-37.6174.8-68.9174.4-177.100112.3Q58Q58-E60 PolarHBondContact O-N 3.37Å
61F95.5Very high96.6Very high19 Ų1944 Ų448%0.08322%0.224CC..THydrogen-bonded Turntrans-113.8-28.7-173.7-62.6-78.7000113.5Q58 L83 L84 V86 Q90 F91Q58-F61 HydrophobicContact CG-CB 4.24Å; Q58-F61 HydrophobicContact CG-CD2 3.77Å; Q58-F61 HydrophobicContact CG-CG 4.5Å; Q58-F61 VanDerWaalsContact NE2-CD2 3.25Å; Q58-F61 PolarHBondContact O-N 3.11Å; Q58-F61 VanDerWaalsContact O-N 3.08Å; F61-L83 HydrophobicContact CB-CD1 4.13Å; F61-L83 CarbonylContact O-C 3.59Å; F61-L83 WeakPolarHBondContact O-CA 3.19Å; F61-L84 WeakPolarHBondContact O-CG 3.22Å; F61-L84 PolarHBondContact O-N 2.81Å; F61-V86 HydrophobicContact CD1-CG1 3.9Å; F61-V86 HydrophobicContact CE1-CG1 4.28Å; F61-Q90 HydrophobicContact CZ-CB 4.46Å; F61-F91 HydrophobicContact CB-CD2 4.49Å; F61-F91 HydrophobicContact CB-CE2 4.42Å; F61-F91 HydrophobicContact CD1-CD2 4.2Å; F61-F91 AromaticContact CD2-CD2 3.98Å; F61-F91 HydrophobicContact CD2-CD2 3.98Å; F61-F91 HydrophobicContact CE1-CD2 4.43Å; F61-F91 HydrophobicContact CE2-CD2 4.22Å; F61-F91 AromaticContact CG-CD2 3.96Å; F61-F91 HydrophobicContact CG-CD2 3.96Å; F61-F91 HydrophobicContact CG-CE2 4.36Å; F61-F91 HydrophobicContact CZ-CB 4.43Å; F61-F91 HydrophobicContact CZ-CD2 4.43Å
62L96.7Very high96.6Very high0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-103.3111-180-66.2175.9000110.3M28 T56 Q58 L81 Y82 L83 D96 I135M28-L62 HydrophobicContact SD-CD2 3.93Å; T56-L62 HydrophobicContact CG2-CB 3.95Å; T56-L62 PolarHBondContact OG1-O 2.82Å; Q58-L62 HydrophobicContact CB-CD1 4.15Å; Q58-L62 HydrophobicContact CB-CG 4.38Å; Q58-L62 WeakPolarHBondContact O-CB 3.4Å; Q58-L62 PolarHBondContact O-N 2.95Å; L62-L81 HydrophobicContact CB-CD1 4.28Å; L62-L81 HydrophobicContact CD2-CD2 4.4Å; L62-Y82 CarbonylContact C-O 3.53Å; L62-Y82 WeakPolarHBondContact CA-O 3.39Å; L62-L83 HydrophobicContact CD2-CB 4.14Å; L62-L83 HydrophobicContact CD2-CD1 3.83Å; L62-D96 HydrophobicContact CD1-CB 3.97Å; L62-I135 HydrophobicContact CD1-CG1 4.04Å
63R97.4Very high96.5Very high128 Ų12851.3 Ų51.348%0.48326%0.261SS..EExtended strand (participates in β ladder)trans-114.7102.4-178.9-61.2-63.4-174.7174-4.2110.2P59 Y82 L84P59-R63 WeakPolarHBondContact O-CD 3.34Å; P59-R63 PolarHBondContact O-NE 2.76Å; P59-R63 PolarHBondContact O-NH1 3.05Å; P59-R63 PolarHBondContact O-NH2 3.01Å; R63-Y82 PolarHBondContact N-O 2.8Å; R63-Y82 WeakPolarHBondContact O-CD2 3.35Å; R63-Y82 PolarHBondContact O-N 2.9Å; R63-L84 HydrophobicContact CG-CD1 3.95Å; R63-L84 HydrophobicContact CG-CD2 4.28Å; R63-L84 HydrophobicContact CG-CG 4.1Å
64P97.8Very high96.5Very high14 Ų1455.5 Ų55.59%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-78.1147170.519-12000111.4V54 T56 L67 I79 V80 L81V54-P64 HydrophobicContact CB-CB 4.13Å; V54-P64 HydrophobicContact CB-CG 4.12Å; V54-P64 HydrophobicContact CG1-CB 3.55Å; V54-P64 HydrophobicContact CG1-CG 3.59Å; T56-P64 HydrophobicContact CG2-CG 3.64Å; P64-L67 HydrophobicContact CB-CD2 4.32Å; P64-L67 HydrophobicContact CG-CD2 3.68Å; P64-L67 WeakPolarHBondContact O-CD2 3.5Å; P64-I79 HydrophobicContact CB-CG2 3.69Å; P64-V80 CarbonylContact C-O 3.57Å; P64-V80 WeakPolarHBondContact CA-O 3.49Å; P64-L81 HydrophobicContact CB-CD1 4.19Å; P64-L81 HydrophobicContact CG-CD1 4.49Å
65N97.6Very high96.4Very high90 Ų9056.3 Ų56.348%0.48129%0.287SS..EExtended strand (participates in β ladder)trans-144.5123.9173.4-174.633.2000110.2V80 Y82N65-V80 PolarHBondContact N-O 2.91Å; N65-V80 PolarHBondContact O-N 2.85Å; N65-Y82 HydrophobicContact CB-CE2 4.07Å
66P97.4Very high96.4Very high45 Ų4556.4 Ų56.429%0.29230%0.298SS..  cis-75.1158-1.634.4-37.5000112.8F52 Y68F52-P66 HydrophobicContact CE2-CG 4.35Å; F52-P66 HydrophobicContact CZ-CG 4.06Å; P66-Y68 WeakPolarHBondContact CB-O 3.46Å
67L97.1Very high96.4Very high82 Ų8257.2 Ų57.243%0.42930%0.303SS..SBendtrans-80.1-25173.2-69.4-179.3000113R53 V54 P64R53-L67 CarbonylContact C-O 3.5Å; R53-L67 WeakPolarHBondContact CA-O 3.31Å; V54-L67 PolarHBondContact N-O 2.86Å; P64-L67 HydrophobicContact CB-CD2 4.32Å; P64-L67 HydrophobicContact CG-CD2 3.68Å; P64-L67 WeakPolarHBondContact O-CD2 3.5Å
68Y96.6Very high96.4Very high51 Ų5159.1 Ų59.120%0.231%0.307CS..EExtended strand (participates in β ladder)trans-138.1150-179.2-56.4-87000108.4F52 R53 P66 W118 K119F52-Y68 WeakPolarHBondContact O-CA 3.42Å; R53-Y68 HydrophobicContact CB-CD1 3.92Å; R53-Y68 HydrophobicContact CB-CE1 4.02Å; R53-Y68 HydrophobicContact CG-CD1 3.88Å; R53-Y68 HydrophobicContact CG-CE1 3.51Å; P66-Y68 WeakPolarHBondContact CB-O 3.46Å; Y68-W118 HydrophobicContact CD1-CB 3.93Å; Y68-W118 AromaticContact CD1-CD1 3.59Å; Y68-W118 AromaticContact CD1-CG 3.85Å; Y68-W118 HydrophobicContact CD1-CG 3.85Å; Y68-W118 HydrophobicContact CE1-CB 3.6Å; Y68-W118 AromaticContact CE1-CG 3.97Å; Y68-W118 HydrophobicContact CE1-CG 3.97Å; Y68-K119 VanDerWaalsContact OH-CE 3.3Å; Y68-K119 WeakPolarHBondContact OH-CE 3.23Å
69G95.5Very high96.6Very high13 Ų1358.6 Ų58.613%0.13431%0.305CS..EExtended strand (participates in β ladder)trans-172.6-175.6171.600000113.3T51 F52 A114T51-G69 CarbonylContact C-O 3.5Å; T51-G69 VanDerWaalsContact CA-O 3.26Å; T51-G69 WeakPolarHBondContact CA-O 3.34Å; T51-G69 WeakPolarHBondContact CB-O 3.48Å; T51-G69 PolarHBondContact OG1-O 3.34Å; F52-G69 WeakPolarHBondContact CD1-O 3.49Å; F52-G69 PolarHBondContact N-O 2.82Å; F52-G69 PolarHBondContact O-N 3.2Å; F52-G69 VanDerWaalsContact O-N 3.11Å; G69-A114 WeakPolarHBondContact O-CB 3.11Å
70T94.8Very high96.6Very high37 Ų3756.9 Ų56.923%0.22729%0.293CS..EExtended strand (participates in β ladder)trans-123.3141.8172.9-61.60000108.3P49 M50 K105P49-T70 HydrophobicContact CB-CG2 4.23Å; M50-T70 CarbonylContact O-C 3.54Å; M50-T70 VanDerWaalsContact O-CA 3.22Å; M50-T70 WeakPolarHBondContact O-CA 3.48Å; M50-T70 WeakPolarHBondContact O-CG2 3.39Å; T70-K105 HydrophobicContact CG2-CD 3.72Å
71V95.9Very high96.8Very high6 Ų650.1 Ų50.14%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-113.1117169-166.90000106.7V42 N44 M50 F52 G75 T77V42-V71 HydrophobicContact CB-CG2 4.42Å; V42-V71 HydrophobicContact CG1-CG2 4.08Å; N44-V71 HydrophobicContact CB-CB 3.91Å; N44-V71 HydrophobicContact CB-CG1 3.48Å; N44-V71 VanDerWaalsContact CB-CG1 3.48Å; N44-V71 PolarHBondContact ND2-O 3.39Å; M50-V71 PolarHBondContact N-O 2.97Å; M50-V71 PolarHBondContact O-N 3.35Å; F52-V71 HydrophobicContact CD1-CG2 3.82Å; F52-V71 HydrophobicContact CE1-CG2 3.95Å; V71-G75 WeakPolarHBondContact CG1-O 3.49Å; V71-T77 HydrophobicContact CG2-CG2 3.7Å
72E95.1Very high96.8Very high111 Ų11152.9 Ų52.952%0.51927%0.272SS..  trans-62.7160178.6-67.3-53.9137.600111.6N44 R74 G75N44-E72 PolarHBondContact ND2-O 3.13Å; E72-R74 PolarHBondContact O-N 3.15Å; E72-G75 PolarHBondContact O-N 3.31Å
73P96Very high96.8Very high45 Ų4553 Ų5329%0.29227%0.272SS..THydrogen-bonded Turntrans-47.9133.8171-29.537.3000111.9T46 G75T46-P73 WeakPolarHBondContact O-CA 3.47Å; P73-G75 PolarHBondContact O-N 2.86Å
74R96.7Very high96.6Very high159 Ų15949.9 Ų49.960%0.627%0.265SS*.THydrogen-bonded Turntrans53.919.3-177.8-54.4-59-171.3163.91.1114.8N44 A45 T46 E47 E72N44-R74 CarbonylContact O-C 3.58Å; N44-R74 WeakPolarHBondContact O-CA 3.34Å; N44-R74 PolarHBondContact O-N 2.89Å; A45-R74 VanDerWaalsContact O-CZ 3.23Å; A45-R74 PolarHBondContact O-NH1 2.91Å; T46-R74 PolarHBondContact O-N 2.94Å; E47-R74 IonicContact OE1-CZ 3.12Å; E47-R74 IonicContact OE1-NE 3.13Å; E47-R74 PolarHBondContact OE1-NE 3.02Å; E47-R74 IonicContact OE1-NH2 2.68Å; E47-R74 PolarHBondContact OE1-NH2 2.65Å; E47-R74 IonicContact OE2-NE 2.78Å; E72-R74 PolarHBondContact O-N 3.15Å
75G97Very high96.4Very high24 Ų2455 Ų5525%0.24729%0.285CS..  trans-101.5174.5-176.900000113.5N44 V71 E72 P73N44-G75 PolarHBondContact N-O 3.37Å; N44-G75 PolarHBondContact O-N 2.92Å; V71-G75 WeakPolarHBondContact CG1-O 3.49Å; E72-G75 PolarHBondContact O-N 3.31Å; P73-G75 PolarHBondContact O-N 2.86Å
76A97.5Very high96Very high61 Ų6151 Ų5150%0.50426%0.264SS..EExtended strand (participates in β ladder)trans-140.5156.1168.800000110.1M41 V42M41-A76 HydrophobicContact CG-CB 3.97Å; M41-A76 HydrophobicContact SD-CB 4.03Å; V42-A76 VanDerWaalsContact O-CA 3.3Å; V42-A76 WeakPolarHBondContact O-CA 3.47Å
77T97.2Very high95.6Very high39 Ų3952.3 Ų52.324%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-136.2158.1171.3-166.40000110.3M41 V42 F52 V71M41-T77 WeakPolarHBondContact CA-O 3.18Å; V42-T77 HydrophobicContact CB-CG2 4.14Å; V42-T77 PolarHBondContact N-O 2.84Å; V42-T77 PolarHBondContact O-N 2.95Å; F52-T77 HydrophobicContact CD1-CG2 4.48Å; F52-T77 HydrophobicContact CE1-CG2 3.59Å; F52-T77 HydrophobicContact CZ-CG2 3.82Å; V71-T77 HydrophobicContact CG2-CG2 3.7Å
78F97.5Very high94.9Very high93 Ų9354 Ų5441%0.40827%0.27SS..EExtended strand (participates in β ladder)trans-109.4129.3178.5-68-82.3000110.8L39 I40 M41 F160L39-F78 HydrophobicContact CB-CD1 4.39Å; I40-F78 CarbonylContact O-C 3.59Å; I40-F78 WeakPolarHBondContact O-CA 3.4Å; M41-F78 HydrophobicContact CB-CD1 4.07Å; M41-F78 HydrophobicContact CB-CE1 3.81Å; M41-F78 HydrophobicContact CG-CD1 4.4Å; M41-F78 HydrophobicContact CG-CE1 3.97Å; M41-F78 HydrophobicContact CG-CZ 4.25Å; F78-F160 HydrophobicContact CZ-CE1 4.15Å
79I98Very high94.4Very high0 Ų058.8 Ų58.80%030%0.299CS..EExtended strand (participates in β ladder)trans-93.3120.9164.7-58.2159.9000107.1I40 V42 F52 V54 P64 V100I40-I79 HydrophobicContact CB-CB 4.32Å; I40-I79 PolarHBondContact N-O 2.85Å; I40-I79 PolarHBondContact O-N 2.85Å; V42-I79 HydrophobicContact CG2-CD1 3.46Å; V42-I79 VanDerWaalsContact CG2-CD1 3.46Å; V42-I79 HydrophobicContact CG2-CG1 4.19Å; F52-I79 HydrophobicContact CD2-CD1 4.46Å; F52-I79 HydrophobicContact CE2-CD1 4.23Å; F52-I79 HydrophobicContact CE2-CG1 4.13Å; V54-I79 HydrophobicContact CG1-CD1 4.35Å; V54-I79 HydrophobicContact CG1-CG2 4.43Å; V54-I79 HydrophobicContact CG2-CD1 3.44Å; V54-I79 VanDerWaalsContact CG2-CD1 3.44Å; V54-I79 HydrophobicContact CG2-CG1 4.02Å; V54-I79 HydrophobicContact CG2-CG2 4.39Å; P64-I79 HydrophobicContact CB-CG2 3.69Å; I79-V100 HydrophobicContact CD1-CG2 3.84Å
80V97.5Very high94Very high35 Ų3564.6 Ų64.621%0.21232%0.323CS..EExtended strand (participates in β ladder)trans-83.3114.8169.5-170.60000108.1V37 L39 P64 N65 Y82V37-V80 HydrophobicContact CG1-CG1 3.46Å; V37-V80 VanDerWaalsContact CG1-CG1 3.46Å; L39-V80 HydrophobicContact CD2-CB 4.39Å; L39-V80 HydrophobicContact CD2-CG1 4.4Å; L39-V80 HydrophobicContact CD2-CG2 3.86Å; P64-V80 CarbonylContact C-O 3.57Å; P64-V80 WeakPolarHBondContact CA-O 3.49Å; N65-V80 PolarHBondContact N-O 2.91Å; N65-V80 PolarHBondContact O-N 2.85Å; V80-Y82 HydrophobicContact CB-CE2 4.01Å; V80-Y82 HydrophobicContact CG1-CD2 4.21Å; V80-Y82 HydrophobicContact CG1-CE1 4.09Å; V80-Y82 HydrophobicContact CG1-CE2 3.58Å
81L97.8Very high93.8Very high0 Ų063.4 Ų63.40%031%0.314CS..EExtended strand (participates in β ladder)trans-99.2113.3175.6-177.469.6000109.9I26 M28 V37 A38 I40 T56 L62 P64 V98 I135I26-L81 HydrophobicContact CD1-CD2 4.22Å; M28-L81 HydrophobicContact CE-CB 4.22Å; M28-L81 HydrophobicContact CE-CD2 3.43Å; M28-L81 VanDerWaalsContact CE-CD2 3.43Å; M28-L81 HydrophobicContact CE-CG 3.77Å; M28-L81 HydrophobicContact SD-CD2 4.14Å; V37-L81 WeakPolarHBondContact CA-O 3.36Å; A38-L81 PolarHBondContact N-O 2.81Å; A38-L81 PolarHBondContact O-N 2.87Å; I40-L81 HydrophobicContact CD1-CB 4.15Å; I40-L81 HydrophobicContact CD1-CD2 4.2Å; T56-L81 HydrophobicContact CG2-CD1 4.26Å; L62-L81 HydrophobicContact CB-CD1 4.28Å; L62-L81 HydrophobicContact CD2-CD2 4.4Å; P64-L81 HydrophobicContact CB-CD1 4.19Å; P64-L81 HydrophobicContact CG-CD1 4.49Å; L81-V98 HydrophobicContact CD1-CG2 3.98Å; L81-V98 HydrophobicContact CD2-CG2 3.6Å; L81-V98 HydrophobicContact CG-CG2 4.42Å; L81-I135 HydrophobicContact CD2-CD1 3.75Å
82Y96.7Very high93.4Very high78 Ų7870.8 Ų70.831%0.30635%0.346SS..EExtended strand (participates in β ladder)trans-90.9129172.4-57.9-90.8000110.3F35 R36 V37 L62 R63 N65 V80F35-Y82 HydrophobicContact CD2-CD1 4.05Å; F35-Y82 HydrophobicContact CE2-CD1 4.25Å; F35-Y82 HydrophobicContact CE2-CE1 4.38Å; R36-Y82 CarbonylContact O-C 3.57Å; R36-Y82 WeakPolarHBondContact O-CA 3.42Å; V37-Y82 HydrophobicContact CG2-CD1 3.72Å; V37-Y82 HydrophobicContact CG2-CE1 3.87Å; L62-Y82 CarbonylContact C-O 3.53Å; L62-Y82 WeakPolarHBondContact CA-O 3.39Å; R63-Y82 PolarHBondContact N-O 2.8Å; R63-Y82 WeakPolarHBondContact O-CD2 3.35Å; R63-Y82 PolarHBondContact O-N 2.9Å; N65-Y82 HydrophobicContact CB-CE2 4.07Å; V80-Y82 HydrophobicContact CB-CE2 4.01Å; V80-Y82 HydrophobicContact CG1-CD2 4.21Å; V80-Y82 HydrophobicContact CG1-CE1 4.09Å; V80-Y82 HydrophobicContact CG1-CE2 3.58Å
83L95.2Very high93.1Very high1 Ų169.5 Ų69.51%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-96.5110159.1173.961.7000107.6M28 P30 F35 R36 F61 L62 V86 F91 Y137M28-L83 HydrophobicContact CB-CD2 3.88Å; M28-L83 HydrophobicContact CE-CB 4.44Å; M28-L83 HydrophobicContact SD-CB 3.79Å; M28-L83 HydrophobicContact SD-CD2 4.21Å; P30-L83 HydrophobicContact CB-CD2 4.36Å; P30-L83 HydrophobicContact CG-CD2 4.21Å; F35-L83 CarbonylContact C-O 3.59Å; F35-L83 WeakPolarHBondContact CA-O 3.26Å; F35-L83 WeakPolarHBondContact CB-O 3.38Å; R36-L83 HydrophobicContact CB-CB 4.23Å; R36-L83 PolarHBondContact N-O 2.68Å; R36-L83 PolarHBondContact O-N 2.91Å; F61-L83 HydrophobicContact CB-CD1 4.13Å; F61-L83 CarbonylContact O-C 3.59Å; F61-L83 WeakPolarHBondContact O-CA 3.19Å; L62-L83 HydrophobicContact CD2-CB 4.14Å; L62-L83 HydrophobicContact CD2-CD1 3.83Å; L83-V86 HydrophobicContact CD1-CG1 4.4Å; L83-F91 HydrophobicContact CD1-CE2 4.37Å; L83-Y137 HydrophobicContact CD1-CE1 4.4Å; L83-Y137 HydrophobicContact CD2-CD1 4.42Å; L83-Y137 HydrophobicContact CD2-CE1 4.12Å
84L94.3Very high92.9Very high64 Ų6473.2 Ų73.234%0.33535%0.354SS..  trans-65.3161178.6-57.9-173.5000111F61 R63 V86F61-L84 WeakPolarHBondContact O-CG 3.22Å; F61-L84 PolarHBondContact O-N 2.81Å; R63-L84 HydrophobicContact CG-CD1 3.95Å; R63-L84 HydrophobicContact CG-CD2 4.28Å; R63-L84 HydrophobicContact CG-CG 4.1Å; L84-V86 PolarHBondContact O-N 2.86Å
85K92.3Very high92.7Very high121 Ų12172.1 Ų72.153%0.52636%0.355SS..  trans-54.6134173.5-57-175.2-170.5-163.70109.4S31 T33S31-K85 CarbonylContact O-C 3.56Å; S31-K85 WeakPolarHBondContact O-CA 3.47Å; T33-K85 WeakPolarHBondContact O-CD 3.36Å; T33-K85 WeakPolarHBondContact O-CE 3.3Å; T33-K85 PolarHBondContact O-NZ 2.76Å
86V90Very high92.7Very high5 Ų571 Ų713%0.0334%0.344CS..  trans-105.4140.6-177.9-60.30000110.5P30 S31 T32 F61 L83 L84 Y88 F91P30-V86 HydrophobicContact CB-CG1 4.27Å; P30-V86 HydrophobicContact CB-CG2 3.68Å; S31-V86 PolarHBondContact O-N 2.96Å; T32-V86 VanDerWaalsContact CA-O 3.3Å; T32-V86 WeakPolarHBondContact CA-O 3.4Å; T32-V86 WeakPolarHBondContact CG2-O 3.37Å; F61-V86 HydrophobicContact CD1-CG1 3.9Å; F61-V86 HydrophobicContact CE1-CG1 4.28Å; L83-V86 HydrophobicContact CD1-CG1 4.4Å; L84-V86 PolarHBondContact O-N 2.86Å; V86-Y88 HydrophobicContact CG2-CD1 4.18Å; V86-Y88 HydrophobicContact CG2-CE1 3.91Å; V86-F91 HydrophobicContact CB-CB 3.73Å; V86-F91 HydrophobicContact CB-CD1 4.39Å; V86-F91 HydrophobicContact CB-CD2 4.13Å; V86-F91 HydrophobicContact CB-CG 3.84Å; V86-F91 HydrophobicContact CG1-CB 4.04Å; V86-F91 HydrophobicContact CG1-CD1 4.23Å; V86-F91 HydrophobicContact CG1-CD2 3.45Å; V86-F91 VanDerWaalsContact CG1-CD2 3.45Å; V86-F91 HydrophobicContact CG1-CE2 3.89Å; V86-F91 HydrophobicContact CG1-CG 3.64Å; V86-F91 HydrophobicContact CG1-CZ 4.44Å; V86-F91 HydrophobicContact CG2-CB 4.45Å; V86-F91 HydrophobicContact CG2-CG 4.41Å
87N88.6Confident92.7Very high73 Ų7371.7 Ų71.739%0.3934%0.335SS..  trans-92.3122.6156.6-178.4-20.4000107D89 Q90 F91N87-D89 PolarHBondContact O-N 3.1Å; N87-D89 VanDerWaalsContact O-N 3.14Å; N87-D89 PolarHBondContact OD1-N 3.37Å; N87-Q90 HydrophobicContact CB-CB 4.41Å; N87-Q90 HydrophobicContact CB-CG 4.36Å; N87-Q90 PolarHBondContact O-N 3.43Å; N87-F91 WeakPolarHBondContact O-CB 3.27Å; N87-F91 PolarHBondContact O-N 2.73Å
88Y82.3Confident92.8Very high119 Ų11969.8 Ų69.847%0.46732%0.324SS..THydrogen-bonded Turntrans-60.5-23.1-177.2-67.3-57000113.6T32 V86 Q90 F139T32-Y88 HydrophobicContact CG2-CD2 3.5Å; T32-Y88 VanDerWaalsContact CG2-CD2 3.5Å; T32-Y88 HydrophobicContact CG2-CE2 3.29Å; T32-Y88 HydrophobicContact CG2-CG 4.33Å; V86-Y88 HydrophobicContact CG2-CD1 4.18Å; V86-Y88 HydrophobicContact CG2-CE1 3.91Å; Y88-Q90 VanDerWaalsContact C-N 3.3Å; Y88-Q90 PolarHBondContact O-N 2.86Å; Y88-F139 HydrophobicContact CE1-CE1 4.11Å
89D86.9Confident92.8Very high150 Ų15067 Ų6780%0.80231%0.313SS*.THydrogen-bonded Turntrans-71.8-26.4174.4-62.7-32.1000112.6N87N87-D89 PolarHBondContact O-N 3.1Å; N87-D89 VanDerWaalsContact O-N 3.14Å; N87-D89 PolarHBondContact OD1-N 3.37Å
90Q86.3Confident92.8Very high136 Ų13667 Ų6764%0.63631%0.313SS*.THydrogen-bonded Turntrans-102.6-28.5-176.4-62.4179.2-5.200112.4F61 N87 Y88 K92F61-Q90 HydrophobicContact CZ-CB 4.46Å; N87-Q90 HydrophobicContact CB-CB 4.41Å; N87-Q90 HydrophobicContact CB-CG 4.36Å; N87-Q90 PolarHBondContact O-N 3.43Å; Y88-Q90 VanDerWaalsContact C-N 3.3Å; Y88-Q90 PolarHBondContact O-N 2.86Å; Q90-K92 PolarHBondContact O-N 2.93Å
91F90.1Very high92.9Very high11 Ų1165.5 Ų65.55%0.04830%0.304CS..  trans-87.3110.4-174.7-178.7-99.1000111.7P30 F61 L83 V86 N87 V93 Y137P30-F91 HydrophobicContact CB-CD1 4.43Å; P30-F91 HydrophobicContact CB-CE1 4Å; P30-F91 HydrophobicContact CB-CZ 4.42Å; P30-F91 HydrophobicContact CG-CE1 3.64Å; P30-F91 HydrophobicContact CG-CZ 3.96Å; F61-F91 HydrophobicContact CB-CD2 4.49Å; F61-F91 HydrophobicContact CB-CE2 4.42Å; F61-F91 HydrophobicContact CD1-CD2 4.2Å; F61-F91 AromaticContact CD2-CD2 3.98Å; F61-F91 HydrophobicContact CD2-CD2 3.98Å; F61-F91 HydrophobicContact CE1-CD2 4.43Å; F61-F91 HydrophobicContact CE2-CD2 4.22Å; F61-F91 AromaticContact CG-CD2 3.96Å; F61-F91 HydrophobicContact CG-CD2 3.96Å; F61-F91 HydrophobicContact CG-CE2 4.36Å; F61-F91 HydrophobicContact CZ-CB 4.43Å; F61-F91 HydrophobicContact CZ-CD2 4.43Å; L83-F91 HydrophobicContact CD1-CE2 4.37Å; V86-F91 HydrophobicContact CB-CB 3.73Å; V86-F91 HydrophobicContact CB-CD1 4.39Å; V86-F91 HydrophobicContact CB-CD2 4.13Å; V86-F91 HydrophobicContact CB-CG 3.84Å; V86-F91 HydrophobicContact CG1-CB 4.04Å; V86-F91 HydrophobicContact CG1-CD1 4.23Å; V86-F91 HydrophobicContact CG1-CD2 3.45Å; V86-F91 VanDerWaalsContact CG1-CD2 3.45Å; V86-F91 HydrophobicContact CG1-CE2 3.89Å; V86-F91 HydrophobicContact CG1-CG 3.64Å; V86-F91 HydrophobicContact CG1-CZ 4.44Å; V86-F91 HydrophobicContact CG2-CB 4.45Å; V86-F91 HydrophobicContact CG2-CG 4.41Å; N87-F91 WeakPolarHBondContact O-CB 3.27Å; N87-F91 PolarHBondContact O-N 2.73Å; F91-V93 HydrophobicContact CD1-CG2 4.36Å; F91-V93 HydrophobicContact CE1-CG2 3.91Å; F91-Y137 HydrophobicContact CE2-CE1 4.44Å; F91-Y137 HydrophobicContact CZ-CD1 4.02Å; F91-Y137 HydrophobicContact CZ-CD2 4.35Å; F91-Y137 AromaticContact CZ-CE1 3.68Å; F91-Y137 HydrophobicContact CZ-CE1 3.68Å; F91-Y137 HydrophobicContact CZ-CE2 4.01Å; F91-Y137 HydrophobicContact CZ-CG 4.32Å; F91-Y137 AromaticContact CZ-CZ 3.65Å
92K88.9Confident92.8Very high162 Ų16265.6 Ų65.670%0.70431%0.305SS*.  trans-97.7116.5175.2-64.5-176.3-178-179.50110.3Q90 R94Q90-K92 PolarHBondContact O-N 2.93Å; K92-R94 PolarHBondContact O-N 3.04Å
93V89.3Confident92.8Very high83 Ų8362 Ų6250%0.50329%0.29SS..  trans-61.9123.6171.1-177.50000109.2F91 Y137 F139F91-V93 HydrophobicContact CD1-CG2 4.36Å; F91-V93 HydrophobicContact CE1-CG2 3.91Å; V93-Y137 HydrophobicContact CG1-CD2 3.97Å; V93-F139 HydrophobicContact CG1-CE2 4.36Å; V93-F139 HydrophobicContact CG2-CE1 4.48Å; V93-F139 HydrophobicContact CG2-CE2 3.54Å; V93-F139 HydrophobicContact CG2-CZ 3.28Å
94R91Very high92.7Very high124 Ų12462.3 Ų62.347%0.46829%0.293SS..  trans-150.3174.9176.264.8-171.9-173.8-179.71.8109.5T57 Q58 K92 D96T57-R94 VanDerWaalsContact C-NH2 3.3Å; T57-R94 PolarHBondContact O-NH2 2.86Å; Q58-R94 VanDerWaalsContact CB-NH2 3.33Å; K92-R94 PolarHBondContact O-N 3.04Å; R94-D96 WeakPolarHBondContact CG-OD1 3.32Å; R94-D96 WeakPolarHBondContact CG-OD2 3.22Å; R94-D96 IonicContact CZ-OD1 2.65Å; R94-D96 IonicContact NE-OD1 3.77Å; R94-D96 PolarHBondContact NE-OD1 3.44Å; R94-D96 IonicContact NE-OD2 3.48Å; R94-D96 IonicContact NH2-OD1 2.99Å; R94-D96 PolarHBondContact NH2-OD1 2.93Å; R94-D96 PolarHBondContact O-N 3.01Å
95Q93Very high92.5Very high135 Ų13562 Ų6263%0.63129%0.289SS*.  trans-76.676.2177.1-167.1-179.611.100110.7
96D96.8Very high92Very high0 Ų057.7 Ų57.70%027%0.273CS..  trans-74.9155.9178.8-74-49.5000112.5T57 Q58 L62 R94 I135 Y137T57-D96 WeakPolarHBondContact OG1-CA 3.4Å; T57-D96 WeakPolarHBondContact OG1-CB 3.43Å; T57-D96 PolarHBondContact OG1-OD1 3.48Å; Q58-D96 PolarHBondContact OE1-OD2 3.06Å; L62-D96 HydrophobicContact CD1-CB 3.97Å; R94-D96 WeakPolarHBondContact CG-OD1 3.32Å; R94-D96 WeakPolarHBondContact CG-OD2 3.22Å; R94-D96 IonicContact CZ-OD1 2.65Å; R94-D96 IonicContact NE-OD1 3.77Å; R94-D96 PolarHBondContact NE-OD1 3.44Å; R94-D96 IonicContact NE-OD2 3.48Å; R94-D96 IonicContact NH2-OD1 2.99Å; R94-D96 PolarHBondContact NH2-OD1 2.93Å; R94-D96 PolarHBondContact O-N 3.01Å; D96-I135 HydrophobicContact CB-CB 4.06Å; D96-I135 HydrophobicContact CB-CG1 4.22Å; D96-I135 PolarHBondContact O-N 2.86Å; D96-Y137 HydrophobicContact CB-CE2 4.17Å; D96-Y137 VanDerWaalsContact OD2-CE2 3.31Å; D96-Y137 WeakPolarHBondContact OD2-CE2 3.39Å; D96-Y137 PolarHBondContact OD2-OH 3.14Å
97K97.8Very high91.3Very high76 Ų7662.8 Ų62.833%0.3330%0.299SS..EExtended strand (participates in β ladder)trans-139143.4-172.8-51.7-179.1-179.7177.90110.5T56 T57 I99 V132 A133 L134T56-K97 WeakPolarHBondContact CA-O 3.31Å; T57-K97 HydrophobicContact CG2-CB 3.86Å; T57-K97 HydrophobicContact CG2-CG 4.19Å; T57-K97 PolarHBondContact N-O 2.92Å; T57-K97 VanDerWaalsContact N-O 3.08Å; T57-K97 PolarHBondContact OG1-N 2.96Å; K97-I99 HydrophobicContact CB-CG1 4.33Å; K97-V132 HydrophobicContact CB-CG1 3.97Å; K97-V132 HydrophobicContact CD-CG1 4Å; K97-V132 HydrophobicContact CG-CG1 4.2Å; K97-A133 WeakPolarHBondContact CA-O 3.19Å; K97-L134 HydrophobicContact CD-CD2 4.2Å; K97-L134 HydrophobicContact CG-CD2 3.9Å
98V98.1Very high90.5Very high0 Ų062.6 Ų62.60%030%0.297CS..EExtended strand (participates in β ladder)trans-99.6126.4158.5-178.50000107.4I40 V54 E55 T56 L81 V100 V132 A133 I135I40-V98 HydrophobicContact CD1-CB 4.17Å; I40-V98 HydrophobicContact CD1-CG1 3.93Å; I40-V98 HydrophobicContact CD1-CG2 3.96Å; V54-V98 HydrophobicContact CG1-CG1 3.62Å; E55-V98 WeakPolarHBondContact O-CA 3.49Å; T56-V98 HydrophobicContact CG2-CG2 4.35Å; L81-V98 HydrophobicContact CD1-CG2 3.98Å; L81-V98 HydrophobicContact CD2-CG2 3.6Å; L81-V98 HydrophobicContact CG-CG2 4.42Å; V98-V100 HydrophobicContact CG1-CG2 4.33Å; V98-V132 WeakPolarHBondContact O-CA 3.26Å; V98-A133 HydrophobicContact CB-CB 4.38Å; V98-A133 PolarHBondContact N-O 2.95Å; V98-A133 PolarHBondContact O-N 3.25Å; V98-I135 HydrophobicContact CG2-CD1 4.02Å
99I98.5Very high89.5Confident33 Ų3364.4 Ų64.417%0.16932%0.315CS..EExtended strand (participates in β ladder)trans-113.9115-178.1-54.7168.8000106.9V54 E55 K97 K130 V132V54-I99 WeakPolarHBondContact CA-O 3.35Å; E55-I99 HydrophobicContact CB-CB 4.4Å; E55-I99 PolarHBondContact N-O 2.74Å; E55-I99 PolarHBondContact O-N 2.88Å; K97-I99 HydrophobicContact CB-CG1 4.33Å; I99-K130 HydrophobicContact CG2-CB 4.31Å; I99-K130 HydrophobicContact CG2-CD 4.01Å; I99-K130 HydrophobicContact CG2-CG 4.37Å; I99-V132 HydrophobicContact CG1-CG2 4.47Å
100V98.3Very high88.1Confident1 Ų160.2 Ų60.21%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-102.2108.3173.7-177.50000107.6L21 V42 F52 R53 V54 I79 V98 T102 K130 K131L21-V100 HydrophobicContact CD1-CB 4.13Å; L21-V100 HydrophobicContact CD1-CG2 3.57Å; L21-V100 HydrophobicContact CD2-CB 4.48Å; L21-V100 HydrophobicContact CD2-CG2 4.18Å; V42-V100 HydrophobicContact CG2-CG1 4.13Å; F52-V100 HydrophobicContact CB-CG1 3.94Å; F52-V100 HydrophobicContact CD2-CG1 4.47Å; R53-V100 WeakPolarHBondContact O-CA 3.3Å; V54-V100 HydrophobicContact CG1-CG2 4.36Å; I79-V100 HydrophobicContact CD1-CG2 3.84Å; V98-V100 HydrophobicContact CG1-CG2 4.33Å; V100-T102 HydrophobicContact CG1-CG2 3.94Å; V100-K130 WeakPolarHBondContact O-CA 3.43Å; V100-K131 PolarHBondContact N-O 2.97Å; V100-K131 PolarHBondContact O-N 2.72Å
101S98.1Very high86.9Confident4 Ų462.4 Ų62.43%0.02832%0.317CS..EExtended strand (participates in β ladder)trans-87.5130.5171.6-53.80000108.3F52 R53 W118 T129F52-S101 CarbonylContact C-O 3.47Å; F52-S101 WeakPolarHBondContact CA-O 3.42Å; R53-S101 PolarHBondContact N-O 2.87Å; R53-S101 PolarHBondContact O-N 3.08Å; S101-W118 WeakPolarHBondContact O-CH2 3.1Å; S101-T129 CarbonylContact C-O 3.51Å; S101-T129 VanDerWaalsContact CA-O 3.32Å; S101-T129 WeakPolarHBondContact CA-O 3.28Å
102T97.3Very high85.8Confident2 Ų263.7 Ų63.71%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-125.2147.3-178540000111.2V19 T51 F52 V100 Q128 T129V19-T102 HydrophobicContact CG1-CG2 3.74Å; T51-T102 VanDerWaalsContact O-CA 3.31Å; T51-T102 WeakPolarHBondContact O-CA 3.44Å; F52-T102 HydrophobicContact CB-CG2 3.88Å; V100-T102 HydrophobicContact CG1-CG2 3.94Å; T102-Q128 CarbonylContact O-C 3.52Å; T102-Q128 WeakPolarHBondContact O-CA 3.41Å; T102-Q128 VanDerWaalsContact O-CB 3.22Å; T102-Q128 WeakPolarHBondContact O-CB 3.15Å; T102-T129 PolarHBondContact N-O 3.19Å; T102-T129 PolarHBondContact O-N 3.48Å; T102-T129 PolarHBondContact OG1-OG1 3.07Å
103A95.7Very high85.5Confident1 Ų160.1 Ų60.11%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-145.9157.5177.600000109.8T51 K105 F117 W118 P125 Q128T51-A103 HydrophobicContact CG2-CB 4.2Å; T51-A103 PolarHBondContact N-O 3.4Å; T51-A103 PolarHBondContact O-N 2.62Å; A103-K105 PolarHBondContact O-N 3.2Å; A103-F117 HydrophobicContact CB-CE1 4.11Å; A103-W118 HydrophobicContact CB-CH2 4.1Å; A103-W118 HydrophobicContact CB-CZ2 4.18Å; A103-P125 HydrophobicContact CB-CB 3.66Å; A103-P125 HydrophobicContact CB-CG 3.63Å; A103-Q128 HydrophobicContact CB-CB 4.36Å
104V93.6Very high85.3Confident8 Ų856.6 Ų56.65%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-66.4130.4171-175.20000108.1T4 Q12 L16 I48 M50T4-V104 HydrophobicContact CG2-CG1 3.65Å; Q12-V104 HydrophobicContact CB-CG2 4.26Å; Q12-V104 HydrophobicContact CG-CG2 4.19Å; L16-V104 HydrophobicContact CD2-CG2 4.45Å; L16-V104 HydrophobicContact CG-CG2 4.33Å; I48-V104 HydrophobicContact CG2-CG1 3.72Å; M50-V104 HydrophobicContact CE-CG2 4.14Å; M50-V104 HydrophobicContact SD-CB 4.31Å; M50-V104 HydrophobicContact SD-CG2 3.94Å
105K89.5Confident85.1Confident59 Ų5951.5 Ų51.526%0.25728%0.277SS..PPolyproline II helixtrans-74.5124178.9179.1-178.7177.2-179.70108.9T4 P49 T70 A103T4-K105 WeakPolarHBondContact CG2-O 3.41Å; P49-K105 HydrophobicContact CB-CB 4.22Å; P49-K105 HydrophobicContact CB-CD 4.14Å; P49-K105 HydrophobicContact CG-CB 4.3Å; P49-K105 HydrophobicContact CG-CD 4.41Å; P49-K105 WeakPolarHBondContact O-CB 3.41Å; P49-K105 PolarHBondContact O-N 3Å; T70-K105 HydrophobicContact CG2-CD 3.72Å; A103-K105 PolarHBondContact O-N 3.2Å
106P81.4Confident84.8Confident29 Ų2948.9 Ų48.919%0.18827%0.268CS..PPolyproline II helixtrans-68.7149.7-177.933-39.2000111.3T4 I108 F117T4-P106 WeakPolarHBondContact OG1-CA 3.39Å; P106-I108 HydrophobicContact CB-CD1 4.04Å; P106-I108 HydrophobicContact CB-CG1 3.94Å; P106-I108 HydrophobicContact CG-CD1 3.58Å; P106-I108 HydrophobicContact CG-CG1 3.89Å; P106-I108 PolarHBondContact O-N 2.86Å; P106-F117 HydrophobicContact CB-CE2 4.31Å; P106-F117 VanDerWaalsContact CD-CZ 3.49Å; P106-F117 HydrophobicContact CG-CD2 3.67Å; P106-F117 HydrophobicContact CG-CE2 3.42Å; P106-F117 VanDerWaalsContact CG-CE2 3.42Å; P106-F117 HydrophobicContact CG-CG 4.43Å; P106-F117 HydrophobicContact CG-CZ 3.94Å
107I76.1Confident84.3Confident113 Ų11350.4 Ų50.458%0.57928%0.275SS*.  trans-77.279.8170.4-47.2-166000108A2 T4A2-I107 WeakPolarHBondContact O-CD1 3.34Å; T4-I107 HydrophobicContact CG2-CG1 4Å; T4-I107 PolarHBondContact OG1-N 2.79Å
108I71.1Confident84Confident69 Ų6947.1 Ų47.135%0.35426%0.26SS..  trans-109.3140.4169.9-56.1172.6000106.6P106 G110P106-I108 HydrophobicContact CB-CD1 4.04Å; P106-I108 HydrophobicContact CB-CG1 3.94Å; P106-I108 HydrophobicContact CG-CD1 3.58Å; P106-I108 HydrophobicContact CG-CG1 3.89Å; P106-I108 PolarHBondContact O-N 2.86Å; I108-G110 PolarHBondContact O-N 2.77Å
109D61.6Low83.5Confident156 Ų15651.3 Ų51.383%0.83428%0.278SS*.SBendtrans-35104-177.3-65.7-33.7000113H111D109-H111 PolarHBondContact O-N 2.98Å
110G58.7Low82.9Confident63 Ų6355.3 Ų55.365%0.64931%0.307SS*.SBendtrans48.2-32159.300000122.1I108I108-G110 PolarHBondContact O-N 2.77Å
111H59.7Low82.1Confident181 Ų18161.2 Ų61.284%0.83835%0.345SS*.  trans-142.715.5-153.9-62-58.6000114.3D109 D113D109-H111 PolarHBondContact O-N 2.98Å; H111-D113 PolarHBondContact O-N 3.3Å
112T68.4Low81.2Confident39 Ų3966.9 Ų66.924%0.23937%0.369CS..  trans-70.2110.7174.7-55.90000109.4A114 N116T112-A114 PolarHBondContact O-N 2.98Å; T112-N116 HydrophobicContact CG2-CB 4.08Å
113D81.9Confident80.3Confident86 Ų8667.5 Ų67.546%0.4638%0.376SS..  trans-51.2131.6168.7173.417000109.1H111 S115 N116H111-D113 PolarHBondContact O-N 3.3Å; D113-S115 PolarHBondContact O-N 2.94Å; D113-S115 PolarHBondContact OD1-N 2.94Å; D113-S115 VanDerWaalsContact OD1-N 3.12Å; D113-S115 WeakPolarHBondContact OD2-CB 3.1Å; D113-S115 PolarHBondContact OD2-OG 3.49Å; D113-N116 WeakPolarHBondContact O-CB 3.19Å; D113-N116 PolarHBondContact O-N 3.37Å
114A84.7Confident79.9Confident10 Ų1071.1 Ų71.18%0.08340%0.4CS..Hα-helixtrans-48.3-39.5177.300000110.9G69 T112 N116 F117G69-A114 WeakPolarHBondContact O-CB 3.11Å; T112-A114 PolarHBondContact O-N 2.98Å; A114-N116 VanDerWaalsContact C-N 3.28Å; A114-N116 PolarHBondContact O-N 2.96Å; A114-F117 WeakPolarHBondContact O-CB 3.4Å; A114-F117 PolarHBondContact O-N 3.38Å; A114-F117 VanDerWaalsContact O-N 3.15Å
115S87.1Confident79.7Confident16 Ų1671.4 Ų71.411%0.11240%0.402CS..Hα-helixtrans-61.6-32.7-177.990.20000113.9D113 F117 W118 K119D113-S115 PolarHBondContact O-N 2.94Å; D113-S115 PolarHBondContact OD1-N 2.94Å; D113-S115 VanDerWaalsContact OD1-N 3.12Å; D113-S115 WeakPolarHBondContact OD2-CB 3.1Å; D113-S115 PolarHBondContact OD2-OG 3.49Å; S115-F117 VanDerWaalsContact C-N 3.33Å; S115-W118 PolarHBondContact O-N 2.93Å; S115-K119 WeakPolarHBondContact O-CG 3.32Å; S115-K119 PolarHBondContact O-N 2.67Å
116N86.1Confident79.7Confident80 Ų8079 Ų7943%0.42843%0.434SS..Hα-helixtrans-68.3-34.7178.6-70.2-25.6000111.7T112 D113 A114 W118 K119 F122T112-N116 HydrophobicContact CG2-CB 4.08Å; D113-N116 WeakPolarHBondContact O-CB 3.19Å; D113-N116 PolarHBondContact O-N 3.37Å; A114-N116 VanDerWaalsContact C-N 3.28Å; A114-N116 PolarHBondContact O-N 2.96Å; N116-W118 PolarHBondContact O-N 3.48Å; N116-K119 PolarHBondContact O-N 2.96Å; N116-K119 VanDerWaalsContact O-O 3.08Å; N116-F122 WeakPolarHBondContact O-CD2 3.35Å
117F86.1Confident80.3Confident33 Ų3378.4 Ų78.415%0.14543%0.431CS..Hα-helixtrans-68.1-22179-176.6-117.1000113.3T51 A103 P106 A114 S115 P125T51-F117 HydrophobicContact CG2-CD1 3.41Å; T51-F117 VanDerWaalsContact CG2-CD1 3.41Å; T51-F117 HydrophobicContact CG2-CE1 3.54Å; A103-F117 HydrophobicContact CB-CE1 4.11Å; P106-F117 HydrophobicContact CB-CE2 4.31Å; P106-F117 VanDerWaalsContact CD-CZ 3.49Å; P106-F117 HydrophobicContact CG-CD2 3.67Å; P106-F117 HydrophobicContact CG-CE2 3.42Å; P106-F117 VanDerWaalsContact CG-CE2 3.42Å; P106-F117 HydrophobicContact CG-CG 4.43Å; P106-F117 HydrophobicContact CG-CZ 3.94Å; A114-F117 WeakPolarHBondContact O-CB 3.4Å; A114-F117 PolarHBondContact O-N 3.38Å; A114-F117 VanDerWaalsContact O-N 3.15Å; S115-F117 VanDerWaalsContact C-N 3.33Å; F117-P125 HydrophobicContact CD1-CG 3.63Å; F117-P125 HydrophobicContact CE1-CB 3.83Å; F117-P125 HydrophobicContact CE1-CG 3.07Å; F117-P125 HydrophobicContact CE2-CG 4.38Å; F117-P125 HydrophobicContact CZ-CB 3.82Å; F117-P125 HydrophobicContact CZ-CG 3.51Å
118W91.4Very high81.2Confident7 Ų776 Ų763%0.02742%0.417CS..Hα-helixtrans-96.5-11.9179.1-67.797.6000113.9T51 F52 R53 Y68 S101 A103 S115 N116 G123 P125T51-W118 HydrophobicContact CG2-CZ2 4.03Å; T51-W118 PolarHBondContact OG1-NE1 2.99Å; F52-W118 PolarHBondContact O-NE1 3.27Å; R53-W118 HydrophobicContact CB-CD2 3.6Å; R53-W118 HydrophobicContact CB-CE3 3.78Å; R53-W118 HydrophobicContact CB-CG 4.03Å; R53-W118 HydrophobicContact CB-CH2 4.29Å; R53-W118 HydrophobicContact CB-CZ2 4.13Å; R53-W118 HydrophobicContact CB-CZ3 4.11Å; Y68-W118 HydrophobicContact CD1-CB 3.93Å; Y68-W118 AromaticContact CD1-CD1 3.59Å; Y68-W118 AromaticContact CD1-CG 3.85Å; Y68-W118 HydrophobicContact CD1-CG 3.85Å; Y68-W118 HydrophobicContact CE1-CB 3.6Å; Y68-W118 AromaticContact CE1-CG 3.97Å; Y68-W118 HydrophobicContact CE1-CG 3.97Å; S101-W118 WeakPolarHBondContact O-CH2 3.1Å; A103-W118 HydrophobicContact CB-CH2 4.1Å; A103-W118 HydrophobicContact CB-CZ2 4.18Å; S115-W118 PolarHBondContact O-N 2.93Å; N116-W118 PolarHBondContact O-N 3.48Å; W118-G123 CarbonylContact O-C 3.49Å; W118-P125 HydrophobicContact CD2-CG 4.44Å; W118-P125 HydrophobicContact CE3-CG 4.2Å; W118-P125 HydrophobicContact CH2-CG 4.23Å; W118-P125 HydrophobicContact CZ2-CG 4.46Å; W118-P125 VanDerWaalsContact CZ3-CD 3.44Å; W118-P125 HydrophobicContact CZ3-CG 4.11Å
119K89.1Confident82.5Confident87 Ų8774.1 Ų74.138%0.37841%0.408SS..SBendtrans-114.6162.5-171.7-70.4176-173.9169.70110.5Y68 S115 N116 F122 G123Y68-K119 VanDerWaalsContact OH-CE 3.3Å; Y68-K119 WeakPolarHBondContact OH-CE 3.23Å; S115-K119 WeakPolarHBondContact O-CG 3.32Å; S115-K119 PolarHBondContact O-N 2.67Å; N116-K119 PolarHBondContact O-N 2.96Å; N116-K119 VanDerWaalsContact O-O 3.08Å; K119-F122 PolarHBondContact O-N 3.03Å; K119-G123 PolarHBondContact O-N 3.32Å
120P84.1Confident84.2Confident118 Ų11872.6 Ų72.677%0.76640%0.395SS*.THydrogen-bonded Turntrans-52.6142.7170.8-25.735.4000111.5
121P81.9Confident86.1Confident125 Ų12572.8 Ų72.881%0.81238%0.377SS*.THydrogen-bonded Turncis-84.7-15.71033.8-36.2000114.9
122F79.5Confident87.9Confident122 Ų12267.1 Ų67.154%0.53536%0.355SS..THydrogen-bonded Turntrans-68.6-41.1-178.5-61.3-76.8000111.7N116 K119N116-F122 WeakPolarHBondContact O-CD2 3.35Å; K119-F122 PolarHBondContact O-N 3.03Å
123G79.4Confident89.3Confident15 Ų1565.2 Ų65.216%0.15534%0.344CS..  trans71.9-179.7-175.200000112W118 K119W118-G123 CarbonylContact O-C 3.49Å; K119-G123 PolarHBondContact O-N 3.32Å
124P86.9Confident90Very high78 Ų7863.2 Ų63.251%0.50633%0.333SS..SBendtrans-59.9142.5177.325.9-33.8000110.7
125P89.6Confident90.6Very high14 Ų1462.9 Ų62.99%0.09133%0.33CS..  trans-58.3142.3-179.1-26.238.1000112.1A103 F117 W118 V127 Q128A103-P125 HydrophobicContact CB-CB 3.66Å; A103-P125 HydrophobicContact CB-CG 3.63Å; F117-P125 HydrophobicContact CD1-CG 3.63Å; F117-P125 HydrophobicContact CE1-CB 3.83Å; F117-P125 HydrophobicContact CE1-CG 3.07Å; F117-P125 HydrophobicContact CE2-CG 4.38Å; F117-P125 HydrophobicContact CZ-CB 3.82Å; F117-P125 HydrophobicContact CZ-CG 3.51Å; W118-P125 HydrophobicContact CD2-CG 4.44Å; W118-P125 HydrophobicContact CE3-CG 4.2Å; W118-P125 HydrophobicContact CH2-CG 4.23Å; W118-P125 HydrophobicContact CZ2-CG 4.46Å; W118-P125 VanDerWaalsContact CZ3-CD 3.44Å; W118-P125 HydrophobicContact CZ3-CG 4.11Å; P125-V127 VanDerWaalsContact C-N 3.27Å; P125-V127 PolarHBondContact O-N 2.76Å; P125-Q128 PolarHBondContact O-NE2 3.25Å
126K89.6Confident91Very high217 Ų21765.3 Ų65.394%0.94334%0.341SS*.SBendtrans-61.2-37.1179.5-69.6-178.4-178.4173.20112.2
127V93.8Very high91.3Very high18 Ų1862.7 Ų62.711%0.10933%0.326CS..SBendtrans-113120175.9-171.20000108.3K9 Q12 L13 L16 P125K9-V127 HydrophobicContact CB-CG2 4.25Å; K9-V127 HydrophobicContact CG-CG1 4.43Å; K9-V127 HydrophobicContact CG-CG2 3.89Å; Q12-V127 HydrophobicContact CB-CB 4.33Å; Q12-V127 HydrophobicContact CB-CG1 3.76Å; L13-V127 HydrophobicContact CD2-CG1 3.82Å; L13-V127 HydrophobicContact CG-CG1 3.83Å; L16-V127 HydrophobicContact CD1-CG1 4.44Å; P125-V127 VanDerWaalsContact C-N 3.27Å; P125-V127 PolarHBondContact O-N 2.76Å
128Q95.3Very high91.3Very high62 Ų6262.5 Ų62.529%0.2933%0.328SS..  trans-153.1153.2178.656.7179.3-43.200109.5T102 A103 P125T102-Q128 CarbonylContact O-C 3.52Å; T102-Q128 WeakPolarHBondContact O-CA 3.41Å; T102-Q128 VanDerWaalsContact O-CB 3.22Å; T102-Q128 WeakPolarHBondContact O-CB 3.15Å; A103-Q128 HydrophobicContact CB-CB 4.36Å; P125-Q128 PolarHBondContact O-NE2 3.25Å
129T97.2Very high90.8Very high29 Ų2967.3 Ų67.318%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-115.5161168.866.10000109.7L13 L16 S101 T102L13-T129 HydrophobicContact CD2-CG2 3.81Å; L16-T129 HydrophobicContact CB-CG2 3.53Å; L16-T129 HydrophobicContact CD1-CG2 3.95Å; L16-T129 HydrophobicContact CG-CG2 4.38Å; S101-T129 CarbonylContact C-O 3.51Å; S101-T129 VanDerWaalsContact CA-O 3.32Å; S101-T129 WeakPolarHBondContact CA-O 3.28Å; T102-T129 PolarHBondContact N-O 3.19Å; T102-T129 PolarHBondContact O-N 3.48Å; T102-T129 PolarHBondContact OG1-OG1 3.07Å
130K97.6Very high89.8Confident125 Ų12568.8 Ų68.854%0.54336%0.361SS..EExtended strand (participates in β ladder)trans-121.9129.1177.4-65.2-172.6176.9-169.80109.3I99 V100I99-K130 HydrophobicContact CG2-CB 4.31Å; I99-K130 HydrophobicContact CG2-CD 4.01Å; I99-K130 HydrophobicContact CG2-CG 4.37Å; V100-K130 WeakPolarHBondContact O-CA 3.43Å
131K97.8Very high88.4Confident66 Ų6672.5 Ų72.529%0.28737%0.369SS..EExtended strand (participates in β ladder)trans-110.1143.5169-58.6-72.8178.7149.40108.1S17 V19 L21 V100S17-K131 PolarHBondContact O-NZ 2.88Å; V19-K131 WeakPolarHBondContact O-CE 3.19Å; V19-K131 PolarHBondContact O-NZ 3.07Å; L21-K131 HydrophobicContact CB-CB 3.75Å; L21-K131 HydrophobicContact CB-CG 4.38Å; L21-K131 HydrophobicContact CD2-CB 3.75Å; L21-K131 HydrophobicContact CG-CB 4.33Å; V100-K131 PolarHBondContact N-O 2.97Å; V100-K131 PolarHBondContact O-N 2.72Å
132V98Very high87.4Confident62 Ų6268.6 Ų68.638%0.37634%0.342SS..EExtended strand (participates in β ladder)trans-127.5127.5-171.9179.50000109.5K97 V98 I99 L134K97-V132 HydrophobicContact CB-CG1 3.97Å; K97-V132 HydrophobicContact CD-CG1 4Å; K97-V132 HydrophobicContact CG-CG1 4.2Å; V98-V132 WeakPolarHBondContact O-CA 3.26Å; I99-V132 HydrophobicContact CG1-CG2 4.47Å; V132-L134 HydrophobicContact CG1-CD2 4.17Å
133A97.8Very high86.5Confident0 Ų071.6 Ų71.60%036%0.355CS..EExtended strand (participates in β ladder)trans-104.9128.116500000109.7L21 P23 D24 I26 K97 V98L21-A133 HydrophobicContact CD2-CB 4.03Å; P23-A133 WeakPolarHBondContact O-CB 3.49Å; D24-A133 CarbonylContact O-C 3.55Å; D24-A133 VanDerWaalsContact O-CA 3.26Å; D24-A133 WeakPolarHBondContact O-CA 3.31Å; I26-A133 HydrophobicContact CD1-CB 3.73Å; I26-A133 HydrophobicContact CG1-CB 4.35Å; K97-A133 WeakPolarHBondContact CA-O 3.19Å; V98-A133 HydrophobicContact CB-CB 4.38Å; V98-A133 PolarHBondContact N-O 2.95Å; V98-A133 PolarHBondContact O-N 3.25Å
134L97.7Very high85.4Confident44 Ų4474.8 Ų74.823%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-85.4135.7178.8-61.8-179.9000110.7D24 K25 I26 K97 V132D24-L134 PolarHBondContact O-N 3.33Å; K25-L134 CarbonylContact C-O 3.59Å; K25-L134 WeakPolarHBondContact CA-O 3.35Å; I26-L134 PolarHBondContact N-O 3.03Å; K97-L134 HydrophobicContact CD-CD2 4.2Å; K97-L134 HydrophobicContact CG-CD2 3.9Å; V132-L134 HydrophobicContact CG1-CD2 4.17Å
135I96.7Very high84.2Confident2 Ų274.7 Ų74.71%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-94.4123.4173.7-51.8-54.3000109.4I26 M28 L62 L81 D96 V98 Y137I26-I135 HydrophobicContact CB-CD1 3.79Å; I26-I135 HydrophobicContact CD1-CD1 3.71Å; I26-I135 HydrophobicContact CG1-CD1 4.31Å; I26-I135 HydrophobicContact CG2-CD1 4.22Å; I26-I135 WeakPolarHBondContact O-CA 3.28Å; M28-I135 HydrophobicContact CB-CG2 4.37Å; M28-I135 HydrophobicContact CG-CG2 4.24Å; M28-I135 HydrophobicContact SD-CG2 4.17Å; L62-I135 HydrophobicContact CD1-CG1 4.04Å; L81-I135 HydrophobicContact CD2-CD1 3.75Å; D96-I135 HydrophobicContact CB-CB 4.06Å; D96-I135 HydrophobicContact CB-CG1 4.22Å; D96-I135 PolarHBondContact O-N 2.86Å; V98-I135 HydrophobicContact CG2-CD1 4.02Å; I135-Y137 HydrophobicContact CG2-CD1 3.99Å; I135-Y137 HydrophobicContact CG2-CD2 4.46Å; I135-Y137 HydrophobicContact CG2-CE1 3.48Å; I135-Y137 VanDerWaalsContact CG2-CE1 3.48Å; I135-Y137 HydrophobicContact CG2-CE2 4.04Å; I135-Y137 HydrophobicContact CG2-CG 4.47Å
136N94.7Very high82.7Confident67 Ų6781.6 Ų81.636%0.35840%0.403SS..EExtended strand (participates in β ladder)trans-111113.8173.8-64.3-42000108.7I26 K27 M28I26-N136 PolarHBondContact O-N 2.87Å; K27-N136 VanDerWaalsContact CA-O 3.31Å; K27-N136 WeakPolarHBondContact CA-O 3.4Å; K27-N136 HydrophobicContact CG-CB 4.42Å; M28-N136 PolarHBondContact N-O 3.46Å
137Y93.1Very high81.1Confident25 Ų2578.6 Ų78.610%0.09839%0.392CS..EExtended strand (participates in β ladder)trans-84.4132.9178-58.6-70.2000111M28 P30 Q58 L83 F91 V93 D96 I135M28-Y137 HydrophobicContact CB-CD1 4.2Å; M28-Y137 HydrophobicContact CB-CE1 4.41Å; M28-Y137 CarbonylContact O-C 3.5Å; M28-Y137 VanDerWaalsContact O-CA 3.28Å; M28-Y137 WeakPolarHBondContact O-CA 3.45Å; P30-Y137 HydrophobicContact CG-CD1 3.66Å; P30-Y137 HydrophobicContact CG-CE1 4.41Å; P30-Y137 HydrophobicContact CG-CG 4.19Å; Q58-Y137 PolarHBondContact OE1-OH 3.3Å; L83-Y137 HydrophobicContact CD1-CE1 4.4Å; L83-Y137 HydrophobicContact CD2-CD1 4.42Å; L83-Y137 HydrophobicContact CD2-CE1 4.12Å; F91-Y137 HydrophobicContact CE2-CE1 4.44Å; F91-Y137 HydrophobicContact CZ-CD1 4.02Å; F91-Y137 HydrophobicContact CZ-CD2 4.35Å; F91-Y137 AromaticContact CZ-CE1 3.68Å; F91-Y137 HydrophobicContact CZ-CE1 3.68Å; F91-Y137 HydrophobicContact CZ-CE2 4.01Å; F91-Y137 HydrophobicContact CZ-CG 4.32Å; F91-Y137 AromaticContact CZ-CZ 3.65Å; V93-Y137 HydrophobicContact CG1-CD2 3.97Å; D96-Y137 HydrophobicContact CB-CE2 4.17Å; D96-Y137 VanDerWaalsContact OD2-CE2 3.31Å; D96-Y137 WeakPolarHBondContact OD2-CE2 3.39Å; D96-Y137 PolarHBondContact OD2-OH 3.14Å; I135-Y137 HydrophobicContact CG2-CD1 3.99Å; I135-Y137 HydrophobicContact CG2-CD2 4.46Å; I135-Y137 HydrophobicContact CG2-CE1 3.48Å; I135-Y137 VanDerWaalsContact CG2-CE1 3.48Å; I135-Y137 HydrophobicContact CG2-CE2 4.04Å; I135-Y137 HydrophobicContact CG2-CG 4.47Å
138C87Confident79.3Confident29 Ų2982.3 Ų82.320%0.19642%0.417CS..  trans-120138.9176.5-67.50000109.9M28 H29M28-C138 PolarHBondContact O-N 2.96Å; H29-C138 WeakPolarHBondContact CA-O 3.39Å; H29-C138 WeakPolarHBondContact CE1-CB 3.3Å; H29-C138 PolarHBondContact ND1-O 3.32Å
139F79.1Confident77.3Confident108 Ų10881.9 Ų81.947%0.47442%0.418SS..  trans-115.413.4-175.2-68.8-83.9000113.2P30 Y88 V93P30-F139 HydrophobicContact CB-CE1 4.33Å; P30-F139 HydrophobicContact CG-CE1 4.08Å; P30-F139 HydrophobicContact CG-CZ 3.99Å; Y88-F139 HydrophobicContact CE1-CE1 4.11Å; V93-F139 HydrophobicContact CG1-CE2 4.36Å; V93-F139 HydrophobicContact CG2-CE1 4.48Å; V93-F139 HydrophobicContact CG2-CE2 3.54Å; V93-F139 HydrophobicContact CG2-CZ 3.28Å
140D68.3Low75.4Confident118 Ų11884.9 Ų84.963%0.63143%0.433SS*.SBendtrans-56145.1174.8-53.5-39000109.4V142D140-V142 WeakPolarHBondContact O-CG2 3.39Å; D140-V142 PolarHBondContact O-N 3.49Å
141E56.5Low73.3Confident197 Ų19782 Ų8292%0.92142%0.419SS*.  trans-61.880.5-178.5-67.5-178.3176.800111K143E141-K143 PolarHBondContact O-N 2.87Å; E141-K143 VanDerWaalsContact O-N 3.16Å
142V60.5Low71Confident42 Ų4282.8 Ų82.826%0.25543%0.429SS..  trans-68.4113.1168.1-177.30000105.5H29 D140 D144 W151H29-V142 HydrophobicContact CB-CG2 4.13Å; H29-V142 WeakPolarHBondContact ND1-CG2 3.38Å; D140-V142 WeakPolarHBondContact O-CG2 3.39Å; D140-V142 PolarHBondContact O-N 3.49Å; V142-D144 PolarHBondContact O-N 3.16Å; V142-W151 HydrophobicContact CG1-CH2 4.33Å; V142-W151 HydrophobicContact CG1-CZ2 3.91Å; V142-W151 HydrophobicContact CG2-CH2 3.66Å; V142-W151 HydrophobicContact CG2-CZ2 3.76Å
143K59.2Low68.4Low185 Ų18589.7 Ų89.780%0.80445%0.454SS*.  trans-56.5108.1166.6-69.1-177179.2-178.70106.6E141 T145E141-K143 PolarHBondContact O-N 2.87Å; E141-K143 VanDerWaalsContact O-N 3.16Å; K143-T145 VanDerWaalsContact C-N 3.27Å; K143-T145 PolarHBondContact O-N 3.29Å
144D57.4Low65.7Low83 Ų8392 Ų9244%0.44447%0.468SS..  trans-61.891.3177.9-87.2-25.4000108.5T33 R36 V142T33-D144 PolarHBondContact OG1-OD2 3.15Å; T33-D144 VanDerWaalsContact OG1-OD2 3.06Å; R36-D144 IonicContact NH2-OD1 3.65Å; R36-D144 PolarHBondContact NH2-OD1 3.39Å; V142-D144 PolarHBondContact O-N 3.16Å
145T61.8Low62.7Low75 Ų7592.9 Ų92.946%0.4648%0.478SS..  trans-83.1143.3166.750.70000108.1Q34 K143 E147Q34-T145 PolarHBondContact NE2-O 2.97Å; Q34-T145 PolarHBondContact OE1-O 3.42Å; K143-T145 VanDerWaalsContact C-N 3.27Å; K143-T145 PolarHBondContact O-N 3.29Å; T145-E147 PolarHBondContact O-N 2.76Å
146N57.3Low59.7Low160 Ų16098.3 Ų98.386%0.85651%0.514SS*.SBendtrans-68.20.8-177.8-74.7-29.3000115
147E56.8Low57Low153 Ų15399.6 Ų99.672%0.71553%0.533SS*.SBendtrans-93.3137.3177-63.6-167.2165.300111.4T145 T149T145-E147 PolarHBondContact O-N 2.76Å; E147-T149 PolarHBondContact O-N 3.18Å
148P55.4Low54.3Low96 Ų96101.4 Ų101.462%0.62355%0.554SS**  trans-65.6101.3173.725.4-30.6000110L150P148-L150 PolarHBondContact O-N 3.4Å
149T54.3Low51.7Low53 Ų53106.8 Ų106.833%0.32558%0.579SS.*  trans-68.2116.7175.8-48.80000110.3E147 W151E147-T149 PolarHBondContact O-N 3.18Å; T149-W151 HydrophobicContact CG2-CD2 4.49Å; T149-W151 HydrophobicContact CG2-CZ2 4.41Å; T149-W151 PolarHBondContact O-N 3.11Å
150L56.3Low49.8Very low93 Ų93109.3 Ų109.349%0.48759%0.59SS.*BIsolated β-bridgetrans-72.2108.5169.2-165.995.6000108.7L39 P148 T152L39-L150 HydrophobicContact CD1-CD1 4.17Å; L39-L150 HydrophobicContact CG-CD1 4.33Å; P148-L150 PolarHBondContact O-N 3.4Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 HydrophobicContact CD2-CG2 3.39Å; L150-T152 HydrophobicContact CG-CG2 3.89Å; L150-T152 PolarHBondContact O-N 3.12Å
151W52.6Low48Very low65 Ų65110.9 Ų110.925%0.24660%0.597CS.*  trans-85.173.9-179.2-69.386.6000110.7H29 V142 T149H29-W151 HydrophobicContact CB-CZ2 4.25Å; H29-W151 AromaticContact CD2-CD2 3.77Å; H29-W151 AromaticContact CD2-CE2 3.75Å; H29-W151 AromaticContact CD2-CE3 3.55Å; H29-W151 AromaticContact CD2-CH2 3.34Å; H29-W151 WeakPolarHBondContact CD2-CH2 3.31Å; H29-W151 AromaticContact CD2-CZ2 3.56Å; H29-W151 AromaticContact CD2-CZ3 3.33Å; H29-W151 WeakPolarHBondContact CD2-CZ3 3.37Å; H29-W151 AromaticContact CE1-CH2 3.95Å; H29-W151 AromaticContact CG-CH2 3.89Å; H29-W151 AromaticContact CG-CZ2 3.9Å; H29-W151 AromaticContact NE2-CE3 3.73Å; H29-W151 AromaticContact NE2-CH2 3.42Å; H29-W151 WeakPolarHBondContact NE2-CH2 3.41Å; H29-W151 AromaticContact NE2-CZ3 3.18Å; H29-W151 WeakPolarHBondContact NE2-CZ3 3.32Å; V142-W151 HydrophobicContact CG1-CH2 4.33Å; V142-W151 HydrophobicContact CG1-CZ2 3.91Å; V142-W151 HydrophobicContact CG2-CH2 3.66Å; V142-W151 HydrophobicContact CG2-CZ2 3.76Å; T149-W151 HydrophobicContact CG2-CD2 4.49Å; T149-W151 HydrophobicContact CG2-CZ2 4.41Å; T149-W151 PolarHBondContact O-N 3.11Å
152T50.5Low47Very low82 Ų82108.5 Ų108.550%0.50359%0.59SS.*  trans-98.91.7175.645.80000114.3L150 T154L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 HydrophobicContact CD2-CG2 3.39Å; L150-T152 HydrophobicContact CG-CG2 3.89Å; L150-T152 PolarHBondContact O-N 3.12Å; T152-T154 PolarHBondContact O-N 2.65Å
153K44.4Very low45.8Very low206 Ų206113.9 Ų113.990%0.89662%0.618SS**  trans-75.412.7-172.5-75.5-167.7175.8-1780116.3
154T39.6Very low44.7Very low49 Ų49110.7 Ų110.730%0.30162%0.616SS.*SBendtrans-132.468.6177.357.80000114.3K27 T152K27-T154 HydrophobicContact CD-CG2 3.57Å; K27-T154 HydrophobicContact CG-CG2 4.03Å; T152-T154 PolarHBondContact O-N 2.65Å
155S35.8Very low43.7Very low63 Ų63115.5 Ų115.544%0.44164%0.636SS.*SBendtrans-174.5153.8147.1-100.90000109.7P23P23-S155 WeakPolarHBondContact CB-OG 3.39Å
156P33.4Very low42.5Very low116 Ų116115.8 Ų115.875%0.75365%0.653SS**  trans-60.4153.1-169.426.8-33.8000111.2A158P156-A158 PolarHBondContact O-N 2.68Å
157A37Very low41.6Very low93 Ų93117.3 Ų117.377%0.76966%0.655SS**  trans-38.995178.500000112.2I159A157-I159 PolarHBondContact O-N 2.83Å
158A37.9Very low40.7Very low64 Ų64118.2 Ų118.253%0.52966%0.663SS.*  trans-72.292.3164.500000105.5P156 F160P156-A158 PolarHBondContact O-N 2.68Å; A158-F160 PolarHBondContact O-N 2.8Å; A158-F160 VanDerWaalsContact O-N 3.1Å
159I31.9Very low39.8Very low141 Ų141117.1 Ų117.172%0.72367%0.669SS**  trans-60.8111.1172.2-64.3171.5000106.1A157 L161A157-I159 PolarHBondContact O-N 2.83Å; I159-L161 PolarHBondContact O-N 3.12Å
160F38.6Very low38.9Very low161 Ų161118.2 Ų118.271%0.70669%0.691SS**  trans-63.399.2171.1-66.7-92000108.4F78 A158 L162F78-F160 HydrophobicContact CZ-CE1 4.15Å; A158-F160 PolarHBondContact O-N 2.8Å; A158-F160 VanDerWaalsContact O-N 3.1Å; F160-L162 VanDerWaalsContact C-N 3.28Å; F160-L162 PolarHBondContact O-N 3.45Å
161L30.9Very low38.1Very low151 Ų151118 Ų11879%0.79170%0.703SS**  trans-86.577.4160.1-73170.9000107.9I159I159-L161 PolarHBondContact O-N 3.12Å
162L36.2Very low37.5Very low148 Ų148121.9 Ų121.978%0.77573%0.734SS**  trans-114.595.9157.4-73.5171.7000105.9F160 P164F160-L162 VanDerWaalsContact C-N 3.28Å; F160-L162 PolarHBondContact O-N 3.45Å; L162-P164 VanDerWaalsContact O-CD 3.27Å; L162-P164 WeakPolarHBondContact O-CD 3.49Å
163N34.7Very low36.9Very low155 Ų155121.9 Ų121.983%0.82975%0.75SS**  trans-61120.9167.8-80-20.9000108.6
164P36.3Very low36.7Very low118 Ų118117 Ų11777%0.76674%0.742SS**  trans-102.347.4174.839.6-28.8000110.1L162L162-P164 VanDerWaalsContact O-CD 3.27Å; L162-P164 WeakPolarHBondContact O-CD 3.49Å
165E35.4Very low36.6Very low184 Ų184120.3 Ų120.386%0.8676%0.762SS**  trans-138.476.8178.8-69.5-163.3167.300112.2
166G36.4Very low36.7Very low80 Ų80124.5 Ų124.583%0.82578%0.78SS**  trans-10383.2153.800000109
167H38.6Very low37.3Very low193 Ų193127 Ų12789%0.89479%0.786SS**  trans-96.2102.4167.1-113.8-29.6000109.6
168I38.3Very low37.4Very low171 Ų171132 Ų13288%0.87779%0.79SS**  trans-85.1121.7159.6-63.6174.8000106.5
169G37.4Very low37.5Very low74 Ų74137.3 Ų137.376%0.76381%0.809SS**  trans157.896.7164.600000115.8
170G35.6Very low38.2Very low76 Ų76135.9 Ų135.978%0.78481%0.809SS**  trans90.4111.1130.800000119.3
171A38.9Very low38.2Very low89 Ų89134.2 Ų134.274%0.73681%0.814SS**  trans69.8104.3131.300000120
172T39.5Very low38.3Very low145 Ų145133.4 Ų133.489%0.8982%0.819SS**  42.2116.1126.860.50000119
173G37.7Very low38.4Very low82 Ų82134.3 Ų134.385%0.84583%0.825SS**  trans156.8106.1155.800000115
174S40.1Very low38.5Very low103 Ų103133 Ų13372%0.7282%0.823SS**  trans-57154.2178.4-179.60000116.5
175T38.9Very low38.7Very low120 Ų120133.1 Ų133.174%0.73683%0.826SS**  trans82.3111.8144.931.70000121.5
176D36.9Very low38.7Very low151 Ų151132 Ų13281%0.80783%0.826SS**  trans50.2117.8133.1-91.2-34.5000119.2
177L46.8Very low38.8Very low167 Ų167132.6 Ų132.687%0.87482%0.823SS**  trans-170.2114.3137.7-98.3159.1000112.1
178K39Very low38.8Very low200 Ų200131.8 Ų131.887%0.8782%0.82SS**  trans7.8124.6148.9-91.7173.7166.4178.30119.4
179L39.7Very low38.4Very low174 Ų174131.8 Ų131.891%0.91182%0.82SS**  trans-109.1134.3157.4-90.4149.9000110.6
180P46.7Very low38.6Very low112 Ų112133.9 Ų133.973%0.72782%0.818SS**PPolyproline II helixtrans-100.8163.7160.734.2-23000112.1
181P38Very low38.7Very low125 Ų125139.8 Ų139.881%0.81282%0.822SS**PPolyproline II helixtrans-89.8153-157.735.4-33.3000114.4
182C33.3Very low38.9Very low134 Ų134142 Ų14291%0.90583%0.827SS**PPolyproline II helixtrans-71.8130.6174.5-72.20000112.4
183D38.3Very low38.8Very low167 Ų167139.5 Ų139.589%0.89382%0.821SS**PPolyproline II helixtrans-100145.5165.3-109.2-32.1000111.3
184V36.3Very low38.9Very low129 Ų129143 Ų14378%0.78282%0.82SS**PPolyproline II helixtrans-87.2138.4-178.2176.90000109.9
185S41.1Very low38.9Very low119 Ų119144.5 Ų144.583%0.83282%0.819SS**  trans-160.1135.4155.6-73.80000112.5
186D35.9Very low39Very low162 Ų162146.4 Ų146.487%0.86682%0.82SS**  trans-51.8153.1-179.9-60.7-67.7000116.1
187A37.8Very low39.1Very low91 Ų91144 Ų14475%0.75282%0.815SS**  174.1132.3125.100000114.9
188Q38.2Very low38.9Very low177 Ų177145 Ų14583%0.82782%0.815SS**  trans81.399.8138.4-74.1-168.5-2.700122.5
189L31.2Very low38.7Very low170 Ų170141.1 Ų141.189%0.8981%0.808SS**  trans-34.5118.9137.7-160.697.5000113.7
190V40.2Very low39.2Very low119 Ų119140.8 Ų140.872%0.72181%0.805SS**  trans-123.4122164176.60000109.3
191K37.2Very low39Very low200 Ų200145 Ų14587%0.8781%0.812SS**  trans-99.9118.2178.4-157.9-177.7-168.6-178.10106.9
192T43.5Very low39Very low135 Ų135142.6 Ų142.683%0.82881%0.81SS**  trans-113.4118.1170.827.20000110
193A37.7Very low39.4Very low92 Ų92140.6 Ų140.676%0.7680%0.803SS**  trans-92135.2168.900000109.2
194N41Very low39.8Very low157 Ų157141 Ų14184%0.8480%0.804SS**  trans-174.1121.2149.5-103.7-23.1000107.6
195L38.6Very low40.1Very low133 Ų133141.9 Ų141.970%0.69680%0.804SS**  166.3131.4101.6-147.770000111.2
196E41.8Very low40.1Very low161 Ų161141.7 Ų141.775%0.75280%0.802SS**  trans77.498.7149.8-81.3157.4-161.100121.9
197S38.7Very low40.8Very low101 Ų101139.8 Ų139.871%0.70680%0.802SS**  trans-70.5130.6156.847.50000113.3
198H42.9Very low41.1Very low187 Ų187143 Ų14387%0.86681%0.807SS**  trans-138.6114.3149.1-86.6-65.1000111.4
199T34.2Very low41.7Very low118 Ų118140.7 Ų140.772%0.72481%0.81SS**  trans-82.3128173.2-59.30000109.8
200I50.4Low42.4Very low168 Ų168142.4 Ų142.486%0.86281%0.81SS**  trans-131108.2154.3-59.6-178.9000108
201K42.4Very low42.9Very low199 Ų199142.6 Ų142.687%0.86582%0.817SS**  trans-81.4130.2162-80.8178.8173178.20108
202G38.9Very low43.3Very low75 Ų75142.8 Ų142.877%0.77382%0.818SS**  trans-154103.1169.500000109.8
203A40.5Very low43.7Very low92 Ų92141.7 Ų141.776%0.7682%0.816SS**  trans-68.3150.6173.300000111.4
204I47.1Very low44.2Very low176 Ų176146.7 Ų146.790%0.90382%0.823SS**  trans-155.6132.7139.2-86.5133.2000108.2
205N42Very low44.3Very low147 Ų147143.8 Ų143.879%0.78682%0.821SS**  trans-78.4158.6-175.7-75.8-30.8000114.1
206S42.5Very low44.7Very low115 Ų115142.7 Ų142.780%0.80483%0.825SS**  trans-3.5136.9149.3-52.40000120.3
207S49.2Very low45.3Very low122 Ų122141 Ų14185%0.85383%0.83SS**  trans-158.8121.6131.341.30000111.3
208D45.1Very low45.8Very low159 Ų159145.9 Ų145.985%0.8584%0.839SS**  trans-56.9148.7164.7-73.8-58.4000112.4
209S51.3Low46.4Very low128 Ų128142.4 Ų142.490%0.89584%0.835SS**  -177.814912639.10000112
210K45.6Very low47.3Very low206 Ų206142.8 Ų142.890%0.89684%0.838SS**  trans-128.8121.5-161.5177.8-170.4-166.5176.50105.8
211S49.8Very low47Very low124 Ų124140.1 Ų140.187%0.86783%0.829SS**  trans-167.2134.1159.146.50000113.6
212K45.1Very low47.4Very low204 Ų204137.8 Ų137.889%0.88783%0.826SS**  trans-72.4155.2174.8-71167.9161.4-179.90113.2
213S52.7Low48Very low112 Ų112138.4 Ų138.478%0.78382%0.819SS**  trans163.2116.3133.740.20000107.7
214E47.8Very low48.5Very low197 Ų197142.4 Ų142.492%0.92182%0.819SS**  75136.676-89.8-172.9174.500116.7
215A44.6Very low48.6Very low95 Ų95142.7 Ų142.779%0.78581%0.813SS**  trans74.8107.6165.700000117.8
216S45Very low49.1Very low111 Ų111141.1 Ų141.178%0.77681%0.809SS**  72.9111.775-1800000113.7
217S54.6Low49.5Very low125 Ų125140 Ų14087%0.87480%0.801SS**  trans-175.8149.6134.7-820000113.3
218K50.5Low49.5Very low204 Ų204141.2 Ų141.289%0.88780%0.799SS**  trans-91.9153.4-166.7-63.6158.3169.3170.70113
219S55.8Low50.1Low113 Ų113145.8 Ų145.879%0.7980%0.804SS**  trans-165.6107.7143.258.90000109.7
220V51.6Low50.1Low127 Ų127150.2 Ų150.277%0.7780%0.801SS**  8296.781.6175.10000114
221T45.8Very low50.9Low111 Ų111149.7 Ų149.768%0.68180%0.799SS**  trans27.6137.8134.158.10000123.7
222N48.8Very low51.4Low151 Ų151153 Ų15381%0.80780%0.798SS**  trans141.2147.4130.6-77.9-27000110.9
223S52.2Low52.3Low88 Ų88153.2 Ų153.262%0.61580%0.799SS**  cis179.8167.1-10.564.30000107.4
224K51.8Low52.4Low176 Ų176157 Ų15777%0.76580%0.804SS**  trans80.3116.7149.9-79172.4-179.9170.60119.6
225K49.1Very low53.1Low181 Ų181152.7 Ų152.779%0.78780%0.795SS**  76.5135.893.8-81.7-168.8170-178.60111.7
226T51.9Low54.1Low114 Ų114161.4 Ų161.470%0.69982%0.815SS**  cis-177.9165.723.619.80000110.4
227S50.2Low54.6Low91 Ų91163.9 Ų163.964%0.63682%0.817SS**  trans74.294.8141.5600000122.6
228N49.2Very low54.6Low149 Ų149165.9 Ų165.980%0.79781%0.814SS**  26115.3108.6-151.13.6000119
229W59.1Low54.8Low254 Ų254163.8 Ų163.896%0.96281%0.81SS**  trans-126.4109.8163.8-8651.7000110.3
230R50.6Low54.7Low221 Ų221166.8 Ų166.883%0.83481%0.812SS**  trans-93.1140.6163.8-101.8-173.5173-151.5-0.4108.9
231K62.2Low54.9Low196 Ų196169.3 Ų169.385%0.85281%0.814SS**  trans177.7102.3143-98162.9-173.5-176.60107.9
232K59.9Low55.5Low194 Ų194173.2 Ų173.284%0.84382%0.823SS**  44.7107.195.2-89.9-169.1176.8-174.50114.1
233F65.8Low56Low207 Ų207174.8 Ų174.891%0.90882%0.824SS**  trans-139.7106.5145.2-86.3-79.9000108.8
234H53.4Low56.3Low192 Ų192181.5 Ų181.589%0.88984%0.84SS**  trans-100.6135.3152.1-91.1-68.6000106.1
235S63.1Low56.7Low106 Ų106181.9 Ų181.974%0.74185%0.846SS**  trans-153.9121.9158.5178.70000109.7
236K65.5Low57.4Low278 Ų278182 Ų182100%1.20985%0.852SS**  trans71.70168.6-67.7-175.9178.1-177.20117.8

Retrieved 236 of 236 residues in 337.8 ms (Link to these results)

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