A0A087YR31_POEFO Loading...

Fuzzy planar cell polarity protein

AlphaFold DB , UniProt , Accession A0A087YR31, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1M46.3Very low72.5Confident200 Ų20053.5 Ų53.599%0.98529%0.293SS*.  034.10-106.5-151.4-173.200111.9
2L48.9Very low74.3Confident40 Ų4049.1 Ų49.121%0.20927%0.269CS..  trans-124.8151.4167.1-77.5168.5000106.4Q8 A25 V76L2-Q8 HydrophobicContact CD2-CB 4.19Å; L2-A25 HydrophobicContact CD2-CB 3.33Å; L2-V76 HydrophobicContact CD1-CB 4.32Å; L2-V76 HydrophobicContact CD1-CG1 3.54Å
3Q50.9Low75.8Confident137 Ų13745.5 Ų45.564%0.6425%0.249SC*.  trans-70.6144.8169.6-70.7177.6-14.700108.4G5 S6Q3-G5 PolarHBondContact O-N 3.14Å; Q3-S6 PolarHBondContact N-OG 3.4Å; Q3-S6 WeakPolarHBondContact O-CB 3.33Å; Q3-S6 PolarHBondContact O-N 3.01Å; Q3-S6 PolarHBondContact O-OG 3.16Å
4D51.8Low76.7Confident131 Ų13142.9 Ų42.970%0.70124%0.237SC*.THydrogen-bonded Turntrans-52128.6-179.9-66.1-3.9000110.8S6D4-S6 VanDerWaalsContact C-N 3.28Å; D4-S6 PolarHBondContact O-N 2.96Å
5G60.3Low77.2Confident43 Ų4346.3 Ų46.344%0.44327%0.265SS..THydrogen-bonded Turntrans73.211.4-179.700000115.5Q3 G78Q3-G5 PolarHBondContact O-N 3.14Å; G5-G78 PolarHBondContact N-O 3.43Å
6S75.7Confident77.7Confident21 Ų2147.6 Ų47.615%0.14728%0.278CS..  trans-89.9128.7171.965.30000111.7Q3 D4 G78Q3-S6 PolarHBondContact N-OG 3.4Å; Q3-S6 WeakPolarHBondContact O-CB 3.33Å; Q3-S6 PolarHBondContact O-N 3.01Å; Q3-S6 PolarHBondContact O-OG 3.16Å; D4-S6 VanDerWaalsContact C-N 3.28Å; D4-S6 PolarHBondContact O-N 2.96Å; S6-G78 PolarHBondContact O-N 2.93Å
7T87.8Confident78.3Confident15 Ų1545.5 Ų45.59%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-96.1135.6173.2-60.20000110.2G24 A25 V76 L93 L96 L137T7-G24 WeakPolarHBondContact O-CA 3.37Å; T7-A25 PolarHBondContact O-N 3.28Å; T7-V76 CarbonylContact C-O 3.56Å; T7-V76 WeakPolarHBondContact CA-O 3.35Å; T7-L93 HydrophobicContact CG2-CD2 3.87Å; T7-L96 HydrophobicContact CG2-CD2 3.67Å; T7-L137 HydrophobicContact CG2-CD2 4.03Å
8Q90.6Very high79.1Confident2 Ų245.6 Ų45.61%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-118.7131.9173.3-173.9155.33200110.2L2 T22 A25 K27 L29 A75 V76L2-Q8 HydrophobicContact CD2-CB 4.19Å; Q8-T22 HydrophobicContact CG-CG2 4.23Å; Q8-A25 HydrophobicContact CB-CB 4.12Å; Q8-K27 PolarHBondContact NE2-O 3.06Å; Q8-L29 VanDerWaalsContact CD-CG 3.48Å; Q8-L29 HydrophobicContact CG-CD1 4.18Å; Q8-L29 HydrophobicContact CG-CG 4.47Å; Q8-L29 VanDerWaalsContact OE1-CD2 3.32Å; Q8-A75 WeakPolarHBondContact O-CA 3.42Å; Q8-V76 HydrophobicContact CB-CB 4.41Å; Q8-V76 PolarHBondContact N-O 3.39Å; Q8-V76 PolarHBondContact O-N 3.47Å
9L94.3Very high79.7Confident0 Ų045.4 Ų45.40%027%0.27CS..EExtended strand (participates in β ladder)trans-114.5129.7-176.6178.371.8000109.5F21 T22 R23 I74 L97 V100 I133 L137L9-F21 HydrophobicContact CD2-CE2 3.9Å; L9-F21 HydrophobicContact CD2-CZ 4.49Å; L9-F21 HydrophobicContact CG-CE2 4.24Å; L9-T22 CarbonylContact O-C 3.56Å; L9-T22 WeakPolarHBondContact O-CA 3.45Å; L9-R23 PolarHBondContact N-O 2.93Å; L9-R23 PolarHBondContact O-N 2.84Å; L9-I74 WeakPolarHBondContact CA-O 3.1Å; L9-L97 HydrophobicContact CD1-CD2 3.55Å; L9-V100 HydrophobicContact CD1-CG2 4.44Å; L9-V100 HydrophobicContact CD2-CB 4.37Å; L9-V100 HydrophobicContact CD2-CG1 3.87Å; L9-V100 HydrophobicContact CD2-CG2 3.66Å; L9-I133 HydrophobicContact CD2-CG2 3.5Å; L9-I133 VanDerWaalsContact CD2-CG2 3.5Å; L9-L137 HydrophobicContact CB-CD1 4.22Å; L9-L137 HydrophobicContact CB-CD2 4.11Å; L9-L137 HydrophobicContact CD2-CD1 4.25Å
10L94.9Very high80.4Confident0 Ų043.8 Ų43.80%026%0.26CS..EExtended strand (participates in β ladder)trans-117.9141.7173.7-52.889.8000109.3T22 L29 I34 L37 L73 I74 V76L10-T22 HydrophobicContact CG-CG2 4.44Å; L10-L29 HydrophobicContact CD1-CD1 3.96Å; L10-L29 HydrophobicContact CD2-CD1 4.02Å; L10-L29 HydrophobicContact CG-CD1 4.37Å; L10-I34 HydrophobicContact CD2-CB 4.3Å; L10-I34 HydrophobicContact CD2-CD1 4.13Å; L10-I34 HydrophobicContact CD2-CG1 3.69Å; L10-I34 HydrophobicContact CD2-CG2 4.04Å; L10-L37 HydrophobicContact CD1-CD1 4.48Å; L10-L37 HydrophobicContact CD2-CD1 4.36Å; L10-L73 WeakPolarHBondContact O-CA 3.24Å; L10-I74 HydrophobicContact CB-CB 4.2Å; L10-I74 HydrophobicContact CD1-CB 4.15Å; L10-I74 HydrophobicContact CD1-CG2 4.35Å; L10-I74 PolarHBondContact N-O 3.26Å; L10-I74 PolarHBondContact O-N 3.44Å; L10-V76 HydrophobicContact CD1-CG2 3.78Å
11C95.6Very high81Confident0 Ų042.2 Ų42.20%025%0.25CC..EExtended strand (participates in β ladder)trans-125.2120172.1-177.60000108.5L20 F21 V71 M72 L73C11-L20 HydrophobicContact CB-CB 4.27Å; C11-L20 WeakPolarHBondContact O-CA 3.33Å; C11-L20 WeakPolarHBondContact O-CB 3.11Å; C11-L20 PolarHBondContact O-N 2.93Å; C11-L20 VanDerWaalsContact SG-CD1 3.6Å; C11-F21 HydrophobicContact CB-CD1 3.55Å; C11-F21 HydrophobicContact CB-CD2 3.9Å; C11-F21 HydrophobicContact CB-CE1 3.26Å; C11-F21 HydrophobicContact CB-CE2 3.64Å; C11-F21 HydrophobicContact CB-CG 3.87Å; C11-F21 HydrophobicContact CB-CZ 3.32Å; C11-F21 PolarHBondContact N-O 2.87Å; C11-F21 PolarHBondContact O-N 2.62Å; C11-F21 VanDerWaalsContact SG-CE1 3.52Å; C11-V71 WeakPolarHBondContact SG-CG1 3.49Å; C11-M72 WeakPolarHBondContact CA-O 3.46Å; C11-L73 HydrophobicContact CB-CD2 3.52Å; C11-L73 VanDerWaalsContact SG-CD2 3.57Å
12L94.8Very high83.2Confident0 Ų034.1 Ų34.10%021%0.212CC..EExtended strand (participates in β ladder)trans-122.7156.8-179.5-48.1-178.8000109.2V18 P19 I34 N38 V71 M72 I74L12-V18 CarbonylContact C-O 3.57Å; L12-V18 WeakPolarHBondContact CA-O 2.99Å; L12-P19 HydrophobicContact CD2-CB 3.74Å; L12-I34 HydrophobicContact CD1-CG2 4.33Å; L12-I34 HydrophobicContact CD2-CG2 3.78Å; L12-N38 HydrophobicContact CD1-CB 3.98Å; L12-V71 WeakPolarHBondContact O-CA 3.47Å; L12-M72 PolarHBondContact N-O 3.15Å; L12-M72 PolarHBondContact O-N 3.16Å; L12-I74 HydrophobicContact CD1-CD1 3.8Å; L12-I74 HydrophobicContact CG-CD1 4.44Å
13T93.6Very high85.3Confident2 Ų236.3 Ų36.31%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-70.8131.4163.257.40000109.4S15 S16 G17 V18 L20 S70 L116 I119T13-S15 VanDerWaalsContact C-N 3.34Å; T13-S15 PolarHBondContact O-N 3.39Å; T13-S16 PolarHBondContact OG1-OG 2.99Å; T13-G17 WeakPolarHBondContact O-CA 3.5Å; T13-G17 PolarHBondContact O-N 3.49Å; T13-G17 PolarHBondContact OG1-N 3.05Å; T13-V18 HydrophobicContact CG2-CB 4.29Å; T13-V18 PolarHBondContact N-O 3.06Å; T13-V18 PolarHBondContact OG1-N 2.97Å; T13-V18 PolarHBondContact OG1-O 3.37Å; T13-L20 HydrophobicContact CG2-CD1 4.28Å; T13-L20 HydrophobicContact CG2-CD2 3.96Å; T13-L20 HydrophobicContact CG2-CG 4.13Å; T13-S70 CarbonylContact C-O 3.6Å; T13-S70 WeakPolarHBondContact CA-O 3.49Å; T13-L116 HydrophobicContact CG2-CD1 4.07Å; T13-I119 HydrophobicContact CG2-CD1 4.34Å
14A88.6Confident87Confident10 Ų1031.6 Ų31.68%0.08321%0.205CC..THydrogen-bonded Turntrans-63.6-35.4-172.700000113.7V66 S70 M72A14-V66 HydrophobicContact CB-CG1 3.89Å; A14-S70 PolarHBondContact N-O 3.42Å; A14-M72 HydrophobicContact CB-CB 4.39Å
15S83.9Confident88.2Confident94 Ų9426.1 Ų26.166%0.65718%0.178SC*.THydrogen-bonded Turntrans-84-37.9-174.756.20000114.6T13T13-S15 VanDerWaalsContact C-N 3.34Å; T13-S15 PolarHBondContact O-N 3.39Å
16S85.8Confident88.3Confident67 Ų6729.2 Ų29.247%0.46919%0.193SC..THydrogen-bonded Turntrans-111.4-9.3-174.464.20000114.4T13 V18T13-S16 PolarHBondContact OG1-OG 2.99Å; S16-V18 PolarHBondContact O-N 3.39Å; S16-V18 WeakPolarHBondContact OG-CG2 3.34Å
17G88.2Confident88.1Confident12 Ų1234.1 Ų34.112%0.12421%0.211CC..  trans67.713-177.200000114.8T13 N38T13-G17 WeakPolarHBondContact O-CA 3.5Å; T13-G17 PolarHBondContact O-N 3.49Å; T13-G17 PolarHBondContact OG1-N 3.05Å; G17-N38 WeakPolarHBondContact CA-OD1 3.35Å
18V91.2Very high87.5Confident47 Ų4740.8 Ų40.829%0.28524%0.242SC..  trans-65.6126178.2174.90000109.3L12 T13 S16 L20 I119L12-V18 CarbonylContact C-O 3.57Å; L12-V18 WeakPolarHBondContact CA-O 2.99Å; T13-V18 HydrophobicContact CG2-CB 4.29Å; T13-V18 PolarHBondContact N-O 3.06Å; T13-V18 PolarHBondContact OG1-N 2.97Å; T13-V18 PolarHBondContact OG1-O 3.37Å; S16-V18 PolarHBondContact O-N 3.39Å; S16-V18 WeakPolarHBondContact OG-CG2 3.34Å; V18-L20 PolarHBondContact O-N 3.35Å; V18-I119 HydrophobicContact CG1-CG2 4.06Å
19P92.1Very high87.1Confident42 Ų4242 Ų4227%0.27325%0.248SC..EExtended strand (participates in β ladder)trans-70.6126.5179.727.3-33.2000111.2L12 F31 K123L12-P19 HydrophobicContact CD2-CB 3.74Å; P19-F31 HydrophobicContact CG-CE1 4.48Å; P19-K123 WeakPolarHBondContact O-CE 3.13Å
20L93.4Very high86.7Confident12 Ų1245.1 Ų45.16%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-88-49.4173.4-63.8174.4000110.6C11 T13 V18 V71 I119 L122 K123 L126C11-L20 HydrophobicContact CB-CB 4.27Å; C11-L20 WeakPolarHBondContact O-CA 3.33Å; C11-L20 WeakPolarHBondContact O-CB 3.11Å; C11-L20 PolarHBondContact O-N 2.93Å; C11-L20 VanDerWaalsContact SG-CD1 3.6Å; T13-L20 HydrophobicContact CG2-CD1 4.28Å; T13-L20 HydrophobicContact CG2-CD2 3.96Å; T13-L20 HydrophobicContact CG2-CG 4.13Å; V18-L20 PolarHBondContact O-N 3.35Å; L20-V71 HydrophobicContact CD1-CG1 4.31Å; L20-V71 HydrophobicContact CD1-CG2 4.18Å; L20-I119 HydrophobicContact CD2-CG2 3.75Å; L20-L122 HydrophobicContact CD1-CD2 4.01Å; L20-L122 HydrophobicContact CD2-CD2 3.98Å; L20-L122 HydrophobicContact CD2-CG 4.45Å; L20-K123 HydrophobicContact CD2-CG 4.18Å; L20-L126 HydrophobicContact CB-CD1 4.01Å; L20-L126 HydrophobicContact CD1-CD1 4.34Å
21F93.5Very high86.3Confident12 Ų1253.2 Ų53.25%0.05330%0.303CS..EExtended strand (participates in β ladder)trans-158.4164.317264.9-100.6000112.5L9 C11 R23 L73 V100 M104 L126 F130 I133L9-F21 HydrophobicContact CD2-CE2 3.9Å; L9-F21 HydrophobicContact CD2-CZ 4.49Å; L9-F21 HydrophobicContact CG-CE2 4.24Å; C11-F21 HydrophobicContact CB-CD1 3.55Å; C11-F21 HydrophobicContact CB-CD2 3.9Å; C11-F21 HydrophobicContact CB-CE1 3.26Å; C11-F21 HydrophobicContact CB-CE2 3.64Å; C11-F21 HydrophobicContact CB-CG 3.87Å; C11-F21 HydrophobicContact CB-CZ 3.32Å; C11-F21 PolarHBondContact N-O 2.87Å; C11-F21 PolarHBondContact O-N 2.62Å; C11-F21 VanDerWaalsContact SG-CE1 3.52Å; F21-R23 HydrophobicContact CD2-CG 3.83Å; F21-R23 HydrophobicContact CE2-CG 4.28Å; F21-L73 HydrophobicContact CZ-CD2 4.34Å; F21-V100 HydrophobicContact CZ-CG1 4.41Å; F21-M104 HydrophobicContact CE1-SD 4.15Å; F21-M104 HydrophobicContact CZ-SD 4.23Å; F21-L126 HydrophobicContact CD1-CB 4.46Å; F21-L126 HydrophobicContact CD1-CD1 3.98Å; F21-L126 HydrophobicContact CE1-CD1 4.23Å; F21-L126 HydrophobicContact CE1-CD2 4.34Å; F21-F130 HydrophobicContact CB-CE1 3.88Å; F21-F130 HydrophobicContact CB-CZ 3.9Å; F21-F130 HydrophobicContact CD1-CE1 4.05Å; F21-F130 AromaticContact CG-CE1 3.92Å; F21-F130 HydrophobicContact CG-CE1 3.92Å; F21-F130 HydrophobicContact CG-CZ 4.45Å; F21-I133 HydrophobicContact CE1-CD1 4.33Å; F21-I133 HydrophobicContact CE2-CD1 4.25Å; F21-I133 HydrophobicContact CZ-CD1 3.79Å
22T92.4Very high86Confident30 Ų3057.3 Ų57.318%0.18433%0.332CS..EExtended strand (participates in β ladder)trans-134128.7169.1-54.70000108.9Q8 L9 L10Q8-T22 HydrophobicContact CG-CG2 4.23Å; L9-T22 CarbonylContact O-C 3.56Å; L9-T22 WeakPolarHBondContact O-CA 3.45Å; L10-T22 HydrophobicContact CG-CG2 4.44Å
23R91.6Very high85.7Confident86 Ų8660 Ų6033%0.32535%0.349SS..EExtended strand (participates in β ladder)trans-136.8167-179.1-62.5-61.9-60.7152.11.7111.1L9 F21 I133 D134 L137L9-R23 PolarHBondContact N-O 2.93Å; L9-R23 PolarHBondContact O-N 2.84Å; F21-R23 HydrophobicContact CD2-CG 3.83Å; F21-R23 HydrophobicContact CE2-CG 4.28Å; R23-I133 HydrophobicContact CB-CG2 4.32Å; R23-I133 HydrophobicContact CG-CG2 4.36Å; R23-D134 IonicContact CZ-OD1 3.98Å; R23-D134 IonicContact CZ-OD2 3.62Å; R23-D134 IonicContact NE-OD1 2.85Å; R23-D134 PolarHBondContact NE-OD1 3.37Å; R23-D134 IonicContact NE-OD2 3.25Å; R23-D134 IonicContact NH2-OD1 2.82Å; R23-D134 PolarHBondContact NH2-OD1 2.66Å; R23-D134 IonicContact NH2-OD2 3.85Å; R23-D134 PolarHBondContact NH2-OD2 2.97Å; R23-L137 HydrophobicContact CB-CD1 3.78Å
24G86.3Confident85.6Confident37 Ų3760.6 Ų60.638%0.38135%0.351SS..EExtended strand (participates in β ladder)trans103.6-129.3178.500000112.8T7T7-G24 WeakPolarHBondContact O-CA 3.37Å
25A77.5Confident85.7Confident17 Ų1762.1 Ų62.114%0.1437%0.369CS..SBendtrans-40.3140.9-174.700000114.4L2 T7 Q8 K27L2-A25 HydrophobicContact CD2-CB 3.33Å; T7-A25 PolarHBondContact O-N 3.28Å; Q8-A25 HydrophobicContact CB-CB 4.12Å; A25-K27 PolarHBondContact O-N 3.13Å
26S63.5Low86Confident107 Ų10761.4 Ų61.475%0.74836%0.363SS*.SBendtrans-58.7-14.9-168.355.80000115.6
27K69.9Low86.3Confident125 Ų12559.4 Ų59.454%0.54335%0.347SS..SBendtrans-114.3123.1176.1-166.7178.1-179.7-176.60110.3Q8 A25Q8-K27 PolarHBondContact NE2-O 3.06Å; A25-K27 PolarHBondContact O-N 3.13Å
28Q75.9Confident86.5Confident155 Ų15560 Ų6072%0.72435%0.348SS*.PPolyproline II helixtrans-62.5138.6170.7-71.8-176.6-12.100110.6
29L81.3Confident86.6Confident28 Ų2859.5 Ų59.515%0.14735%0.352CS..PPolyproline II helixtrans-66.2139.6174.1-68.2167.6000110.3Q8 L10 V33 I34Q8-L29 VanDerWaalsContact CD-CG 3.48Å; Q8-L29 HydrophobicContact CG-CD1 4.18Å; Q8-L29 HydrophobicContact CG-CG 4.47Å; Q8-L29 VanDerWaalsContact OE1-CD2 3.32Å; L10-L29 HydrophobicContact CD1-CD1 3.96Å; L10-L29 HydrophobicContact CD2-CD1 4.02Å; L10-L29 HydrophobicContact CG-CD1 4.37Å; L29-V33 HydrophobicContact CB-CB 4.42Å; L29-V33 HydrophobicContact CD1-CG1 4.42Å; L29-V33 HydrophobicContact CD2-CG1 4.28Å; L29-I34 HydrophobicContact CB-CG1 4.1Å
30P86.5Confident86.5Confident64 Ų6461.1 Ų61.142%0.41636%0.361SS..PPolyproline II helixtrans-56.6144.4170.7-22.232.4000111.2S32 V33 I34P30-S32 PolarHBondContact O-N 3.36Å; P30-S32 VanDerWaalsContact O-N 3.1Å; P30-V33 HydrophobicContact CB-CG2 4.26Å; P30-V33 HydrophobicContact CG-CG2 4.18Å; P30-V33 WeakPolarHBondContact O-CB 3.33Å; P30-V33 PolarHBondContact O-N 3.12Å; P30-I34 PolarHBondContact O-N 2.92Å
31F86.4Confident86.3Confident170 Ų17061.8 Ų61.875%0.74636%0.364SS*.Hα-helixtrans-54.3-31.7176.7-77.4-75000113.4P19 V33 I34 G35P19-F31 HydrophobicContact CG-CE1 4.48Å; F31-V33 VanDerWaalsContact C-N 3.32Å; F31-V33 PolarHBondContact O-N 2.93Å; F31-I34 PolarHBondContact O-N 3.3Å; F31-G35 PolarHBondContact O-N 3.24Å
32S89.8Confident86.2Confident87 Ų8765.2 Ų65.261%0.60838%0.381SS*.Hα-helixtrans-61.2-39.4174.3530000112.4P30 S36P30-S32 PolarHBondContact O-N 3.36Å; P30-S32 VanDerWaalsContact O-N 3.1Å; S32-S36 PolarHBondContact O-N 3.31Å; S32-S36 PolarHBondContact O-OG 3.06Å; S32-S36 VanDerWaalsContact O-OG 3.05Å
33V89Confident86.1Confident57 Ų5770.9 Ų70.935%0.34540%0.403SS..Hα-helixtrans-69.4-44.9177.7179.20000110.3L29 P30 F31 G35 S36 L37L29-V33 HydrophobicContact CB-CB 4.42Å; L29-V33 HydrophobicContact CD1-CG1 4.42Å; L29-V33 HydrophobicContact CD2-CG1 4.28Å; P30-V33 HydrophobicContact CB-CG2 4.26Å; P30-V33 HydrophobicContact CG-CG2 4.18Å; P30-V33 WeakPolarHBondContact O-CB 3.33Å; P30-V33 PolarHBondContact O-N 3.12Å; F31-V33 VanDerWaalsContact C-N 3.32Å; F31-V33 PolarHBondContact O-N 2.93Å; V33-G35 VanDerWaalsContact C-N 3.31Å; V33-G35 PolarHBondContact O-N 2.91Å; V33-S36 PolarHBondContact O-N 3.22Å; V33-L37 HydrophobicContact CG1-CD1 4.21Å; V33-L37 HydrophobicContact CG1-CG 4.45Å; V33-L37 WeakPolarHBondContact O-CG 3.5Å; V33-L37 PolarHBondContact O-N 3.25Å
34I90.4Very high85.9Confident13 Ų1367.3 Ų67.37%0.06739%0.394CS..Hα-helixtrans-59.2-45.6176.4-54.8-178000110.3L10 L12 L29 P30 F31 S36 L37 N38L10-I34 HydrophobicContact CD2-CB 4.3Å; L10-I34 HydrophobicContact CD2-CD1 4.13Å; L10-I34 HydrophobicContact CD2-CG1 3.69Å; L10-I34 HydrophobicContact CD2-CG2 4.04Å; L12-I34 HydrophobicContact CD1-CG2 4.33Å; L12-I34 HydrophobicContact CD2-CG2 3.78Å; L29-I34 HydrophobicContact CB-CG1 4.1Å; P30-I34 PolarHBondContact O-N 2.92Å; F31-I34 PolarHBondContact O-N 3.3Å; I34-S36 PolarHBondContact O-N 3.06Å; I34-L37 PolarHBondContact O-N 3.44Å; I34-N38 PolarHBondContact O-N 3.39Å
35G90.8Very high85.9Confident43 Ų4367.8 Ų67.844%0.44340%0.398SS..Hα-helixtrans-60.2-42.7176.500000112.7F31 V33 N38 G39F31-G35 PolarHBondContact O-N 3.24Å; V33-G35 VanDerWaalsContact C-N 3.31Å; V33-G35 PolarHBondContact O-N 2.91Å; G35-N38 PolarHBondContact O-N 3.47Å; G35-G39 PolarHBondContact O-N 3.49Å
36S91.5Very high86.4Confident78 Ų7870 Ų7055%0.54542%0.423SS..Hα-helixtrans-64-45.3175.2-64.60000112.4S32 V33 I34 N38 G39 V40S32-S36 PolarHBondContact O-N 3.31Å; S32-S36 PolarHBondContact O-OG 3.06Å; S32-S36 VanDerWaalsContact O-OG 3.05Å; V33-S36 PolarHBondContact O-N 3.22Å; I34-S36 PolarHBondContact O-N 3.06Å; S36-N38 VanDerWaalsContact C-N 3.31Å; S36-N38 PolarHBondContact O-N 2.72Å; S36-G39 WeakPolarHBondContact O-CA 3.06Å; S36-G39 PolarHBondContact O-N 3.49Å; S36-G39 VanDerWaalsContact O-N 3.07Å; S36-V40 WeakPolarHBondContact O-CG2 3.42Å; S36-V40 PolarHBondContact O-N 3.45Å
37L92.1Very high87.7Confident25 Ų2571.8 Ų71.813%0.13142%0.419CS..Hα-helixtrans-60.1-41.5178.2-69.1171.7000111.8L10 V33 I34 H41 V62 W64 I74 V76L10-L37 HydrophobicContact CD1-CD1 4.48Å; L10-L37 HydrophobicContact CD2-CD1 4.36Å; V33-L37 HydrophobicContact CG1-CD1 4.21Å; V33-L37 HydrophobicContact CG1-CG 4.45Å; V33-L37 WeakPolarHBondContact O-CG 3.5Å; V33-L37 PolarHBondContact O-N 3.25Å; I34-L37 PolarHBondContact O-N 3.44Å; L37-H41 PolarHBondContact O-N 3.21Å; L37-V62 HydrophobicContact CD2-CG1 4.15Å; L37-W64 HydrophobicContact CB-CZ2 4.42Å; L37-W64 HydrophobicContact CD2-CH2 4.19Å; L37-W64 HydrophobicContact CD2-CZ2 3.58Å; L37-W64 PolarHBondContact O-NE1 2.95Å; L37-I74 HydrophobicContact CB-CD1 4.19Å; L37-V76 HydrophobicContact CD1-CG2 4.28Å
38N92.3Very high88.4Confident25 Ų2569.3 Ų69.313%0.13443%0.43CS..Hα-helixtrans-67.2-40172.9-17467.5000111.8L12 G17 I34 G35 S36 V40 H41 M42L12-N38 HydrophobicContact CD1-CB 3.98Å; G17-N38 WeakPolarHBondContact CA-OD1 3.35Å; I34-N38 PolarHBondContact O-N 3.39Å; G35-N38 PolarHBondContact O-N 3.47Å; S36-N38 VanDerWaalsContact C-N 3.31Å; S36-N38 PolarHBondContact O-N 2.72Å; N38-V40 PolarHBondContact O-N 3.38Å; N38-H41 WeakPolarHBondContact O-CB 3.25Å; N38-H41 PolarHBondContact O-N 3.06Å; N38-M42 WeakPolarHBondContact O-CG 3.31Å; N38-M42 PolarHBondContact O-N 2.95Å
39G91.8Very high89Confident36 Ų3664.6 Ų64.637%0.37142%0.417SS..Hα-helixtrans-59.9-42.3178.400000113.1G35 S36 M42 F43G35-G39 PolarHBondContact O-N 3.49Å; S36-G39 WeakPolarHBondContact O-CA 3.06Å; S36-G39 PolarHBondContact O-N 3.49Å; S36-G39 VanDerWaalsContact O-N 3.07Å; G39-M42 PolarHBondContact O-N 3.05Å; G39-F43 WeakPolarHBondContact O-CB 3.47Å; G39-F43 PolarHBondContact O-N 3.31Å
40V90.9Very high89.2Confident77 Ų7770.2 Ų70.247%0.46745%0.447SS..Hα-helixtrans-64.2-44.4176.3-178.50000110.8S36 N38 F43 G44 L51S36-V40 WeakPolarHBondContact O-CG2 3.42Å; S36-V40 PolarHBondContact O-N 3.45Å; N38-V40 PolarHBondContact O-N 3.38Å; V40-F43 PolarHBondContact O-N 2.89Å; V40-G44 PolarHBondContact O-N 2.93Å; V40-L51 HydrophobicContact CB-CD2 4.39Å; V40-L51 HydrophobicContact CG1-CD2 3.71Å
41H89.8Confident89.2Confident25 Ų2569.1 Ų69.112%0.11644%0.437CS..Hα-helixtrans-58.2-49.8174.6170.6-83000111.8L37 N38 F43 G44 G45 V66 M72L37-H41 PolarHBondContact O-N 3.21Å; N38-H41 WeakPolarHBondContact O-CB 3.25Å; N38-H41 PolarHBondContact O-N 3.06Å; H41-F43 VanDerWaalsContact C-N 3.32Å; H41-F43 PolarHBondContact O-N 3.39Å; H41-G44 PolarHBondContact O-N 3.02Å; H41-G45 PolarHBondContact O-N 3.49Å; H41-V66 VanDerWaalsContact NE2-CG2 3.28Å; H41-V66 WeakPolarHBondContact NE2-CG2 3.43Å; H41-M72 HydrophobicContact CB-CE 4.13Å; H41-M72 HydrophobicContact CB-SD 4.28Å; H41-M72 WeakPolarHBondContact CE1-CE 3.38Å; H41-M72 WeakPolarHBondContact ND1-CE 3.48Å
42M89.8Confident89.2Confident85 Ų8564.2 Ų64.242%0.41942%0.424SS..Hα-helixtrans-64.6-35.3-179.4-68.6-56.9-64.600112.6N38 G39 G46N38-M42 WeakPolarHBondContact O-CG 3.31Å; N38-M42 PolarHBondContact O-N 2.95Å; G39-M42 PolarHBondContact O-N 3.05Å; M42-G46 PolarHBondContact O-N 2.8Å
43F90.9Very high89.3Confident148 Ų14861.5 Ų61.565%0.64941%0.405SS*.Hα-helixtrans-63.5-46.2174.6179.1-96.1000111.6G39 V40 H41 G46 Q47G39-F43 WeakPolarHBondContact O-CB 3.47Å; G39-F43 PolarHBondContact O-N 3.31Å; V40-F43 PolarHBondContact O-N 2.89Å; H41-F43 VanDerWaalsContact C-N 3.32Å; H41-F43 PolarHBondContact O-N 3.39Å; F43-G46 PolarHBondContact O-N 3.25Å; F43-Q47 PolarHBondContact O-N 2.93Å
44G87.6Confident89.3Confident12 Ų1261.2 Ų61.212%0.12441%0.405CS..Hα-helixtrans-58.9-50.7174.800000111.9V40 H41 G46 Q47 G48 A49V40-G44 PolarHBondContact O-N 2.93Å; H41-G44 PolarHBondContact O-N 3.02Å; G44-G46 VanDerWaalsContact C-N 3.28Å; G44-G46 PolarHBondContact O-N 3.48Å; G44-Q47 CarbonylContact O-C 3.52Å; G44-Q47 WeakPolarHBondContact O-CA 3.33Å; G44-Q47 PolarHBondContact O-N 3.44Å; G44-G48 PolarHBondContact O-N 2.96Å; G44-A49 CarbonylContact C-O 3.59Å; G44-A49 PolarHBondContact O-N 3.02Å; G44-A49 VanDerWaalsContact O-O 3.1Å
45G86.4Confident89.2Confident47 Ų4766 Ų6649%0.48543%0.427SS..Hα-helixtrans-58.9-37.4178.300000113.2H41 Q47 G48 A49H41-G45 PolarHBondContact O-N 3.49Å; G45-Q47 PolarHBondContact O-N 3.41Å; G45-G48 PolarHBondContact O-N 3.47Å; G45-A49 PolarHBondContact N-O 3.21Å
46G87.8Confident88.9Confident64 Ų6467.2 Ų67.266%0.6643%0.426SS*.Hα-helixtrans-64.5-20.3174.600000114.6M42 F43 G44M42-G46 PolarHBondContact O-N 2.8Å; F43-G46 PolarHBondContact O-N 3.25Å; G44-G46 VanDerWaalsContact C-N 3.28Å; G44-G46 PolarHBondContact O-N 3.48Å
47Q90.3Very high88.3Confident143 Ų14373.7 Ų73.767%0.66845%0.447SS*.THydrogen-bonded Turntrans-100.56.5174.5-59-61.3-32.300112.7F43 G44 G45 A49F43-Q47 PolarHBondContact O-N 2.93Å; G44-Q47 CarbonylContact O-C 3.52Å; G44-Q47 WeakPolarHBondContact O-CA 3.33Å; G44-Q47 PolarHBondContact O-N 3.44Å; G45-Q47 PolarHBondContact O-N 3.41Å; Q47-A49 PolarHBondContact O-N 2.98Å
48G85.8Confident87.4Confident74 Ų7475.7 Ų75.776%0.76347%0.474SS*.THydrogen-bonded Turntrans70.816.9-174.800000114.1G44 G45G44-G48 PolarHBondContact O-N 2.96Å; G45-G48 PolarHBondContact O-N 3.47Å
49A87.9Confident86.6Confident55 Ų5576.8 Ų76.846%0.45549%0.492SS..  trans-100.2134.3177.200000110.9G44 G45 Q47G44-A49 CarbonylContact C-O 3.59Å; G44-A49 PolarHBondContact O-N 3.02Å; G44-A49 VanDerWaalsContact O-O 3.1Å; G45-A49 PolarHBondContact N-O 3.21Å; Q47-A49 PolarHBondContact O-N 2.98Å
50L85.5Confident86.1Confident147 Ų14775.2 Ų75.277%0.7748%0.475SS*.  trans-90.7117.9173.3-176.668.4000109.6S52L50-S52 PolarHBondContact O-N 2.99Å
51L86.3Confident86Confident41 Ų4171.8 Ų71.822%0.21545%0.454CS..  trans-82.4113.4173.2-174.272.3000109.5V40 W64V40-L51 HydrophobicContact CB-CD2 4.39Å; V40-L51 HydrophobicContact CG1-CD2 3.71Å; L51-W64 HydrophobicContact CD2-CD2 3.7Å; L51-W64 HydrophobicContact CD2-CE3 3.78Å; L51-W64 HydrophobicContact CD2-CG 4.27Å; L51-W64 HydrophobicContact CD2-CH2 3.99Å; L51-W64 HydrophobicContact CD2-CZ2 3.9Å; L51-W64 HydrophobicContact CD2-CZ3 3.93Å; L51-W64 HydrophobicContact CG-CD2 4.24Å; L51-W64 HydrophobicContact CG-CE3 3.98Å; L51-W64 HydrophobicContact CG-CZ3 4.28Å
52S87.3Confident86.1Confident67 Ų6770.9 Ų70.947%0.46945%0.451SS..  trans-94.8-52.2177.353.20000112.3L50 V63 W64L50-S52 PolarHBondContact O-N 2.99Å; S52-V63 WeakPolarHBondContact O-CA 3.39Å; S52-W64 PolarHBondContact O-N 3.04Å
53S91.1Very high86.3Confident30 Ų3067 Ų6721%0.2143%0.432CS..EExtended strand (participates in β ladder)trans-152.1161.3-177.166.90000112.8V62 E90S53-V62 CarbonylContact C-O 3.45Å; S53-V62 WeakPolarHBondContact CA-O 3.45Å; S53-V62 WeakPolarHBondContact CB-O 3.27Å; S53-E90 VanDerWaalsContact CB-OE1 3.25Å; S53-E90 WeakPolarHBondContact CB-OE1 3.45Å; S53-E90 VanDerWaalsContact OG-CD 3.23Å; S53-E90 PolarHBondContact OG-OE1 3.03Å
54C90Very high86.5Confident51 Ų5160.7 Ų60.735%0.34540%0.403SS..EExtended strand (participates in β ladder)trans-149164.8168.682.60000111.8V62 W64C54-V62 PolarHBondContact N-O 2.88Å; C54-V62 PolarHBondContact O-N 3.26Å; C54-W64 HydrophobicContact CB-CH2 4.39Å; C54-W64 HydrophobicContact CB-CZ3 4.07Å; C54-W64 WeakPolarHBondContact SG-CH2 3.34Å
55E87.2Confident86.8Confident114 Ų11462.9 Ų62.953%0.53341%0.409SS..EExtended strand (participates in β ladder)trans-116146.5178.2-71.6170.4-157.300110.6K61 I86E55-K61 IonicContact OE1-NZ 2.69Å; E55-I86 WeakPolarHBondContact OE1-CG2 3.37Å
56T84.3Confident87.2Confident68 Ų6862.5 Ų62.542%0.41740%0.398SS..  trans-99.7152.6173.964.50000109.7G58 G59 G60 V62T56-G58 PolarHBondContact O-N 3.28Å; T56-G59 PolarHBondContact O-N 2.99Å; T56-G60 PolarHBondContact N-O 3.06Å; T56-G60 VanDerWaalsContact OG1-CA 3.22Å; T56-G60 WeakPolarHBondContact OG1-CA 3.42Å; T56-G60 PolarHBondContact OG1-N 3.37Å; T56-G60 PolarHBondContact OG1-O 3.19Å; T56-V62 HydrophobicContact CG2-CG2 4.47Å
57E79.1Confident87.5Confident213 Ų21360.3 Ų60.3100%0.99537%0.37SS*.THydrogen-bonded Turntrans-56.9-24.8177.7-63.7-178.9168.200113.3G59E57-G59 VanDerWaalsContact C-N 3.27Å; E57-G59 PolarHBondContact O-N 3.19Å
58G72.8Confident87.5Confident67 Ų6758.1 Ų58.169%0.69136%0.36SS*.THydrogen-bonded Turntrans-84.513.1175.500000114.9T56 G60T56-G58 PolarHBondContact O-N 3.28Å; G58-G60 PolarHBondContact O-N 3.26Å
59G75.7Confident87.7Confident49 Ų4961.4 Ų61.451%0.50536%0.36SS..SBendtrans73.98.8-179.600000114.9T56 E57 G79T56-G59 PolarHBondContact O-N 2.99Å; E57-G59 VanDerWaalsContact C-N 3.27Å; E57-G59 PolarHBondContact O-N 3.19Å; G59-G79 VanDerWaalsContact C-CA 3.48Å; G59-G79 WeakPolarHBondContact O-CA 3.3Å
60G82.4Confident87.9Confident3 Ų359.1 Ų59.13%0.03134%0.341CS..  trans-79.8150.3171.600000111.8T56 G58 S77T56-G60 PolarHBondContact N-O 3.06Å; T56-G60 VanDerWaalsContact OG1-CA 3.22Å; T56-G60 WeakPolarHBondContact OG1-CA 3.42Å; T56-G60 PolarHBondContact OG1-N 3.37Å; T56-G60 PolarHBondContact OG1-O 3.19Å; G58-G60 PolarHBondContact O-N 3.26Å; G60-S77 VanDerWaalsContact CA-O 3.24Å; G60-S77 WeakPolarHBondContact CA-O 3.23Å
61K88.6Confident88.3Confident4 Ų452.1 Ų52.12%0.01730%0.304CS..EExtended strand (participates in β ladder)trans-116.2141.6-177.1-166.6151.9-169.11520111.8E55 V63 S77 I86 E89 E90 L93E55-K61 IonicContact OE1-NZ 2.69Å; K61-V63 HydrophobicContact CG-CG2 4.4Å; K61-S77 PolarHBondContact N-O 3.41Å; K61-S77 PolarHBondContact O-N 3.45Å; K61-I86 PolarHBondContact NZ-O 2.91Å; K61-E89 HydrophobicContact CB-CG 4.41Å; K61-E89 HydrophobicContact CD-CB 4.4Å; K61-E90 HydrophobicContact CD-CB 4.14Å; K61-E90 VanDerWaalsContact CE-OE2 3.3Å; K61-E90 WeakPolarHBondContact CE-OE2 3.45Å; K61-E90 IonicContact NZ-OE2 3.79Å; K61-E90 PolarHBondContact NZ-OE2 3.4Å; K61-L93 HydrophobicContact CB-CD1 4.15Å; K61-L93 HydrophobicContact CG-CD1 4.28Å
62V91.9Very high88.7Confident7 Ų750.2 Ų50.24%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-123.6133.7174.4-167.60000109.3L37 S53 C54 T56 W64 I74 A75 V76L37-V62 HydrophobicContact CD2-CG1 4.15Å; S53-V62 CarbonylContact C-O 3.45Å; S53-V62 WeakPolarHBondContact CA-O 3.45Å; S53-V62 WeakPolarHBondContact CB-O 3.27Å; C54-V62 PolarHBondContact N-O 2.88Å; C54-V62 PolarHBondContact O-N 3.26Å; T56-V62 HydrophobicContact CG2-CG2 4.47Å; V62-W64 HydrophobicContact CB-CE3 4.35Å; V62-W64 HydrophobicContact CB-CH2 3.54Å; V62-W64 HydrophobicContact CB-CZ2 4.38Å; V62-W64 HydrophobicContact CB-CZ3 3.52Å; V62-W64 HydrophobicContact CG1-CD2 4.2Å; V62-W64 HydrophobicContact CG1-CE3 3.9Å; V62-W64 HydrophobicContact CG1-CH2 3.21Å; V62-W64 HydrophobicContact CG1-CZ2 3.58Å; V62-W64 HydrophobicContact CG1-CZ3 3.4Å; V62-W64 HydrophobicContact CG2-CH2 4.41Å; V62-W64 WeakPolarHBondContact O-CZ3 3.36Å; V62-I74 HydrophobicContact CG1-CG2 3.71Å; V62-A75 CarbonylContact C-O 3.01Å; V62-A75 VanDerWaalsContact CA-O 3.32Å; V62-A75 WeakPolarHBondContact CA-O 3.5Å; V62-V76 HydrophobicContact CG1-CG2 4.01Å; V62-V76 HydrophobicContact CG2-CG1 4.23Å; V62-V76 HydrophobicContact CG2-CG2 4.45Å
63V94.1Very high89.2Confident4 Ų447 Ų472%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-128.7134.7179.1-178.80000109.3S52 K61 I74 A75 E90 L93 Q94 L97S52-V63 WeakPolarHBondContact O-CA 3.39Å; K61-V63 HydrophobicContact CG-CG2 4.4Å; V63-I74 CarbonylContact O-C 3.48Å; V63-I74 VanDerWaalsContact O-CA 3.3Å; V63-I74 WeakPolarHBondContact O-CA 3.46Å; V63-A75 PolarHBondContact N-O 3.02Å; V63-A75 PolarHBondContact O-N 3.1Å; V63-E90 HydrophobicContact CG2-CG 4.24Å; V63-L93 HydrophobicContact CB-CB 4.2Å; V63-L93 HydrophobicContact CG2-CB 3.78Å; V63-L93 HydrophobicContact CG2-CD1 3.94Å; V63-Q94 HydrophobicContact CG1-CB 4.44Å; V63-L97 HydrophobicContact CB-CD1 4.41Å; V63-L97 HydrophobicContact CG1-CD1 3.95Å
64W94.4Very high89.4Confident14 Ų1445.6 Ų45.65%0.05326%0.262CS..EExtended strand (participates in β ladder)trans-113.2140.9176.2-69.2-107.4000109.9L37 L51 S52 C54 V62 I74L37-W64 HydrophobicContact CB-CZ2 4.42Å; L37-W64 HydrophobicContact CD2-CH2 4.19Å; L37-W64 HydrophobicContact CD2-CZ2 3.58Å; L37-W64 PolarHBondContact O-NE1 2.95Å; L51-W64 HydrophobicContact CD2-CD2 3.7Å; L51-W64 HydrophobicContact CD2-CE3 3.78Å; L51-W64 HydrophobicContact CD2-CG 4.27Å; L51-W64 HydrophobicContact CD2-CH2 3.99Å; L51-W64 HydrophobicContact CD2-CZ2 3.9Å; L51-W64 HydrophobicContact CD2-CZ3 3.93Å; L51-W64 HydrophobicContact CG-CD2 4.24Å; L51-W64 HydrophobicContact CG-CE3 3.98Å; L51-W64 HydrophobicContact CG-CZ3 4.28Å; S52-W64 PolarHBondContact O-N 3.04Å; C54-W64 HydrophobicContact CB-CH2 4.39Å; C54-W64 HydrophobicContact CB-CZ3 4.07Å; C54-W64 WeakPolarHBondContact SG-CH2 3.34Å; V62-W64 HydrophobicContact CB-CE3 4.35Å; V62-W64 HydrophobicContact CB-CH2 3.54Å; V62-W64 HydrophobicContact CB-CZ2 4.38Å; V62-W64 HydrophobicContact CB-CZ3 3.52Å; V62-W64 HydrophobicContact CG1-CD2 4.2Å; V62-W64 HydrophobicContact CG1-CE3 3.9Å; V62-W64 HydrophobicContact CG1-CH2 3.21Å; V62-W64 HydrophobicContact CG1-CZ2 3.58Å; V62-W64 HydrophobicContact CG1-CZ3 3.4Å; V62-W64 HydrophobicContact CG2-CH2 4.41Å; V62-W64 WeakPolarHBondContact O-CZ3 3.36Å; W64-I74 HydrophobicContact CD2-CG2 4.28Å; W64-I74 HydrophobicContact CG-CG1 4.29Å; W64-I74 HydrophobicContact CG-CG2 4.34Å
65K94.9Very high89.6Confident58 Ų5843.1 Ų43.125%0.25225%0.245SC..EExtended strand (participates in β ladder)trans-144.2127.1168.5-169160176.5149.10110.6F67 M72 L73 L97 E98K65-F67 HydrophobicContact CB-CE2 3.82Å; K65-F67 HydrophobicContact CB-CZ 4.12Å; K65-F67 HydrophobicContact CD-CE1 4.07Å; K65-F67 HydrophobicContact CD-CE2 4.15Å; K65-F67 HydrophobicContact CD-CZ 3.56Å; K65-F67 HydrophobicContact CG-CD2 4.34Å; K65-F67 HydrophobicContact CG-CE1 4.18Å; K65-F67 HydrophobicContact CG-CE2 3.65Å; K65-F67 HydrophobicContact CG-CZ 3.58Å; K65-M72 WeakPolarHBondContact O-CA 3.43Å; K65-L73 PolarHBondContact N-O 3.2Å; K65-L73 PolarHBondContact O-N 3.07Å; K65-L97 HydrophobicContact CB-CB 4.36Å; K65-L97 HydrophobicContact CB-CD1 3.68Å; K65-E98 HydrophobicContact CD-CG 4.22Å; K65-E98 IonicContact NZ-OE1 2.94Å; K65-E98 PolarHBondContact NZ-OE1 3.32Å
66V93.7Very high89.7Confident40 Ų4038.5 Ų38.524%0.24223%0.225CC..EExtended strand (participates in β ladder)trans-98.2133.1176-178.60000109A14 H41 M72A14-V66 HydrophobicContact CB-CG1 3.89Å; H41-V66 VanDerWaalsContact NE2-CG2 3.28Å; H41-V66 WeakPolarHBondContact NE2-CG2 3.43Å; V66-M72 HydrophobicContact CG2-CB 4.36Å; V66-M72 HydrophobicContact CG2-CG 4.13Å
67F94.1Very high89.9Confident17 Ų1735.7 Ų35.78%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-115.7116.8180-63.5-90.6000109.6K65 D69 S70 V71 L73 W101K65-F67 HydrophobicContact CB-CE2 3.82Å; K65-F67 HydrophobicContact CB-CZ 4.12Å; K65-F67 HydrophobicContact CD-CE1 4.07Å; K65-F67 HydrophobicContact CD-CE2 4.15Å; K65-F67 HydrophobicContact CD-CZ 3.56Å; K65-F67 HydrophobicContact CG-CD2 4.34Å; K65-F67 HydrophobicContact CG-CE1 4.18Å; K65-F67 HydrophobicContact CG-CE2 3.65Å; K65-F67 HydrophobicContact CG-CZ 3.58Å; F67-D69 PolarHBondContact O-N 3.44Å; F67-D69 VanDerWaalsContact O-N 3.1Å; F67-S70 PolarHBondContact O-N 3.06Å; F67-S70 PolarHBondContact O-OG 2.9Å; F67-V71 PolarHBondContact N-O 3.35Å; F67-V71 PolarHBondContact O-N 3.27Å; F67-L73 HydrophobicContact CD2-CD1 4.23Å; F67-L73 HydrophobicContact CD2-CG 4.3Å; F67-L73 HydrophobicContact CE2-CB 4.14Å; F67-L73 HydrophobicContact CE2-CD1 3.65Å; F67-L73 HydrophobicContact CE2-CG 4Å; F67-L73 HydrophobicContact CZ-CD1 4.32Å; F67-W101 HydrophobicContact CB-CD2 3.72Å; F67-W101 HydrophobicContact CB-CE3 3.62Å; F67-W101 HydrophobicContact CB-CG 4.42Å; F67-W101 HydrophobicContact CB-CH2 3.93Å; F67-W101 HydrophobicContact CB-CZ2 4.05Å; F67-W101 HydrophobicContact CB-CZ3 3.72Å; F67-W101 HydrophobicContact CD1-CB 3.82Å; F67-W101 AromaticContact CD1-CD1 3.53Å; F67-W101 AromaticContact CD1-CD2 3.55Å; F67-W101 HydrophobicContact CD1-CD2 3.55Å; F67-W101 AromaticContact CD1-CE2 3.9Å; F67-W101 HydrophobicContact CD1-CE3 4.19Å; F67-W101 AromaticContact CD1-CG 3.32Å; F67-W101 HydrophobicContact CD1-CG 3.32Å; F67-W101 AromaticContact CD1-NE1 3.84Å; F67-W101 HydrophobicContact CD2-CB 4.32Å; F67-W101 HydrophobicContact CD2-CD2 4.26Å; F67-W101 HydrophobicContact CD2-CE3 4.13Å; F67-W101 HydrophobicContact CD2-CG 4.35Å; F67-W101 HydrophobicContact CE1-CB 3.48Å; F67-W101 VanDerWaalsContact CE1-CB 3.48Å; F67-W101 AromaticContact CE1-CD1 3.71Å; F67-W101 HydrophobicContact CE1-CD2 4.19Å; F67-W101 AromaticContact CE1-CG 3.48Å; F67-W101 HydrophobicContact CE1-CG 3.48Å; F67-W101 VanDerWaalsContact CE1-CG 3.48Å; F67-W101 HydrophobicContact CE2-CB 4.05Å; F67-W101 HydrophobicContact CE2-CG 4.49Å; F67-W101 HydrophobicContact CG-CB 4.22Å; F67-W101 AromaticContact CG-CD2 3.58Å; F67-W101 HydrophobicContact CG-CD2 3.58Å; F67-W101 AromaticContact CG-CE3 3.72Å; F67-W101 HydrophobicContact CG-CE3 3.72Å; F67-W101 AromaticContact CG-CG 3.78Å; F67-W101 HydrophobicContact CG-CG 3.78Å; F67-W101 HydrophobicContact CG-CZ3 4.35Å; F67-W101 HydrophobicContact CZ-CB 3.6Å; F67-W101 HydrophobicContact CZ-CG 4.07Å
68H91.5Very high89.8Confident98 Ų9826 Ų2645%0.45417%0.165SC..THydrogen-bonded Turntrans49.735.1177.9-57.1-86.8000114.3S70 W101 V114H68-S70 PolarHBondContact O-N 3.34Å; H68-W101 AromaticContact CD2-CZ2 3.4Å; H68-W101 WeakPolarHBondContact CD2-CZ2 3.49Å; H68-W101 AromaticContact NE2-CZ2 3.87Å; H68-V114 HydrophobicContact CB-CG1 4.25Å; H68-V114 HydrophobicContact CB-CG2 3.76Å
69D89.2Confident89.2Confident142 Ų14223.6 Ų23.676%0.75914%0.14SC*.THydrogen-bonded Turntrans52.217.3-177.2-55.2-43.8000115.2F67F67-D69 PolarHBondContact O-N 3.44Å; F67-D69 VanDerWaalsContact O-N 3.1Å
70S91.9Very high88.2Confident8 Ų823.1 Ų23.16%0.05614%0.135CC..THydrogen-bonded Turntrans-111.4-50.8-171.261.50000110.8T13 A14 F67 H68 L113 L116T13-S70 CarbonylContact C-O 3.6Å; T13-S70 WeakPolarHBondContact CA-O 3.49Å; A14-S70 PolarHBondContact N-O 3.42Å; F67-S70 PolarHBondContact O-N 3.06Å; F67-S70 PolarHBondContact O-OG 2.9Å; H68-S70 PolarHBondContact O-N 3.34Å; S70-L113 WeakPolarHBondContact CB-O 3.4Å; S70-L113 PolarHBondContact OG-O 2.89Å; S70-L116 WeakPolarHBondContact O-CD1 3.22Å
71V94.5Very high86.3Confident0 Ų029.2 Ų29.20%018%0.177CC..EExtended strand (participates in β ladder)trans-123.7136.7-176.8177.70000109.4C11 L12 L20 F67 L73 W101 M104 L116C11-V71 WeakPolarHBondContact SG-CG1 3.49Å; L12-V71 WeakPolarHBondContact O-CA 3.47Å; L20-V71 HydrophobicContact CD1-CG1 4.31Å; L20-V71 HydrophobicContact CD1-CG2 4.18Å; F67-V71 PolarHBondContact N-O 3.35Å; F67-V71 PolarHBondContact O-N 3.27Å; V71-L73 HydrophobicContact CG1-CD2 4.5Å; V71-W101 HydrophobicContact CB-CZ3 4Å; V71-W101 HydrophobicContact CG2-CZ3 4.22Å; V71-M104 HydrophobicContact CG1-CE 4.28Å; V71-L116 HydrophobicContact CG2-CD1 4.44Å
72M95.1Very high84.4Confident0 Ų032.9 Ų32.90%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1126.9171.3-178.1-164.4-49.200108.8C11 L12 A14 H41 K65 V66 I74C11-M72 WeakPolarHBondContact CA-O 3.46Å; L12-M72 PolarHBondContact N-O 3.15Å; L12-M72 PolarHBondContact O-N 3.16Å; A14-M72 HydrophobicContact CB-CB 4.39Å; H41-M72 HydrophobicContact CB-CE 4.13Å; H41-M72 HydrophobicContact CB-SD 4.28Å; H41-M72 WeakPolarHBondContact CE1-CE 3.38Å; H41-M72 WeakPolarHBondContact ND1-CE 3.48Å; K65-M72 WeakPolarHBondContact O-CA 3.43Å; V66-M72 HydrophobicContact CG2-CB 4.36Å; V66-M72 HydrophobicContact CG2-CG 4.13Å; M72-I74 HydrophobicContact CG-CG1 4.15Å; M72-I74 HydrophobicContact SD-CD1 3.85Å; M72-I74 HydrophobicContact SD-CG1 3.97Å
73L96.8Very high82.2Confident0 Ų035.9 Ų35.90%024%0.235CC..EExtended strand (participates in β ladder)trans-104140.1168.4-61.8174.3000109.9L10 C11 F21 K65 F67 V71 L97 V100 W101 M104L10-L73 WeakPolarHBondContact O-CA 3.24Å; C11-L73 HydrophobicContact CB-CD2 3.52Å; C11-L73 VanDerWaalsContact SG-CD2 3.57Å; F21-L73 HydrophobicContact CZ-CD2 4.34Å; K65-L73 PolarHBondContact N-O 3.2Å; K65-L73 PolarHBondContact O-N 3.07Å; F67-L73 HydrophobicContact CD2-CD1 4.23Å; F67-L73 HydrophobicContact CD2-CG 4.3Å; F67-L73 HydrophobicContact CE2-CB 4.14Å; F67-L73 HydrophobicContact CE2-CD1 3.65Å; F67-L73 HydrophobicContact CE2-CG 4Å; F67-L73 HydrophobicContact CZ-CD1 4.32Å; V71-L73 HydrophobicContact CG1-CD2 4.5Å; L73-L97 HydrophobicContact CB-CB 4.5Å; L73-L97 HydrophobicContact CB-CD1 4.48Å; L73-L97 HydrophobicContact CB-CD2 3.72Å; L73-L97 HydrophobicContact CB-CG 4.45Å; L73-L97 WeakPolarHBondContact CD1-O 3.35Å; L73-V100 HydrophobicContact CD1-CB 4.03Å; L73-V100 HydrophobicContact CD1-CG1 3.67Å; L73-V100 HydrophobicContact CD2-CG1 4.15Å; L73-W101 HydrophobicContact CD1-CB 4.16Å; L73-M104 HydrophobicContact CD2-SD 4.39Å
74I95.2Very high80.1Confident0 Ų038 Ų380%025%0.254CS..EExtended strand (participates in β ladder)trans-129.1125.2178.2-46.9174.5000107.9L9 L10 L12 L37 V62 V63 W64 M72 V76L9-I74 WeakPolarHBondContact CA-O 3.1Å; L10-I74 HydrophobicContact CB-CB 4.2Å; L10-I74 HydrophobicContact CD1-CB 4.15Å; L10-I74 HydrophobicContact CD1-CG2 4.35Å; L10-I74 PolarHBondContact N-O 3.26Å; L10-I74 PolarHBondContact O-N 3.44Å; L12-I74 HydrophobicContact CD1-CD1 3.8Å; L12-I74 HydrophobicContact CG-CD1 4.44Å; L37-I74 HydrophobicContact CB-CD1 4.19Å; V62-I74 HydrophobicContact CG1-CG2 3.71Å; V63-I74 CarbonylContact O-C 3.48Å; V63-I74 VanDerWaalsContact O-CA 3.3Å; V63-I74 WeakPolarHBondContact O-CA 3.46Å; W64-I74 HydrophobicContact CD2-CG2 4.28Å; W64-I74 HydrophobicContact CG-CG1 4.29Å; W64-I74 HydrophobicContact CG-CG2 4.34Å; M72-I74 HydrophobicContact CG-CG1 4.15Å; M72-I74 HydrophobicContact SD-CD1 3.85Å; M72-I74 HydrophobicContact SD-CG1 3.97Å; I74-V76 HydrophobicContact CG2-CG2 4.36Å
75A93.6Very high78.2Confident0 Ų040.4 Ų40.40%027%0.272CS..EExtended strand (participates in β ladder)trans-107.9129.7172.800000109.5Q8 V62 V63 L93 L97Q8-A75 WeakPolarHBondContact O-CA 3.42Å; V62-A75 CarbonylContact C-O 3.01Å; V62-A75 VanDerWaalsContact CA-O 3.32Å; V62-A75 WeakPolarHBondContact CA-O 3.5Å; V63-A75 PolarHBondContact N-O 3.02Å; V63-A75 PolarHBondContact O-N 3.1Å; A75-L93 HydrophobicContact CB-CB 4.15Å; A75-L93 HydrophobicContact CB-CD2 4.11Å; A75-L93 HydrophobicContact CB-CG 4.5Å; A75-L97 HydrophobicContact CB-CD1 4.48Å; A75-L97 HydrophobicContact CB-CD2 3.63Å; A75-L97 HydrophobicContact CB-CG 4.1Å
76V90.7Very high76.6Confident17 Ų1742.8 Ų42.810%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-120.7120178-175.40000107.6L2 T7 Q8 L10 L37 V62 I74L2-V76 HydrophobicContact CD1-CB 4.32Å; L2-V76 HydrophobicContact CD1-CG1 3.54Å; T7-V76 CarbonylContact C-O 3.56Å; T7-V76 WeakPolarHBondContact CA-O 3.35Å; Q8-V76 HydrophobicContact CB-CB 4.41Å; Q8-V76 PolarHBondContact N-O 3.39Å; Q8-V76 PolarHBondContact O-N 3.47Å; L10-V76 HydrophobicContact CD1-CG2 3.78Å; L37-V76 HydrophobicContact CD1-CG2 4.28Å; V62-V76 HydrophobicContact CG1-CG2 4.01Å; V62-V76 HydrophobicContact CG2-CG1 4.23Å; V62-V76 HydrophobicContact CG2-CG2 4.45Å; I74-V76 HydrophobicContact CG2-CG2 4.36Å
77S87.9Confident75.2Confident9 Ų943 Ų436%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-105.9135174.5-1770000110.7G60 K61 G79 E89G60-S77 VanDerWaalsContact CA-O 3.24Å; G60-S77 WeakPolarHBondContact CA-O 3.23Å; K61-S77 PolarHBondContact N-O 3.41Å; K61-S77 PolarHBondContact O-N 3.45Å; S77-G79 PolarHBondContact O-N 2.74Å; S77-E89 WeakPolarHBondContact CB-OE1 3.45Å; S77-E89 PolarHBondContact OG-OE1 3.27Å
78G76.6Confident74.1Confident9 Ų943.2 Ų43.29%0.09330%0.298CS..  trans-75.4115.6169.800000110.2G5 S6 G80G5-G78 PolarHBondContact N-O 3.43Å; S6-G78 PolarHBondContact O-N 2.93Å; G78-G80 PolarHBondContact O-N 2.74Å
79G61.5Low73.4Confident17 Ų1740.9 Ų40.918%0.17529%0.288CS..  trans-51.2128.8-179.500000111.6G59 S77G59-G79 VanDerWaalsContact C-CA 3.48Å; G59-G79 WeakPolarHBondContact O-CA 3.3Å; S77-G79 PolarHBondContact O-N 2.74Å
80G54.3Low73.1Confident38 Ų3836.5 Ų36.539%0.39226%0.262SS..  trans-124146.2176.100000110.2G78 S82G78-G80 PolarHBondContact O-N 2.74Å; G80-S82 PolarHBondContact O-N 3.24Å
81S42.7Very low72.7Confident132 Ų13238.4 Ų38.492%0.92328%0.276SS*.SBendtrans-65.323.9175.9-45.90000114.5
82S47.5Very low72.2Confident81 Ų8143.2 Ų43.257%0.56629%0.294SS*.  trans-79.4121.6169.8-1610000106.5G80 A84G80-S82 PolarHBondContact O-N 3.24Å; S82-A84 PolarHBondContact O-N 2.89Å
83G45.8Very low71.9Confident69 Ų6943.3 Ų43.371%0.71130%0.295SS*.  trans-6635179.800000114.8R347G83-R347 PolarHBondContact O-NH2 2.85Å; G83-R347 VanDerWaalsContact O-NH2 3.13Å
84A50.1Low71.5Confident50 Ų5047.1 Ų47.141%0.41331%0.312SS..  trans-63.2133.4166.800000108.3S82 E88S82-A84 PolarHBondContact O-N 2.89Å; A84-E88 VanDerWaalsContact CA-OE2 3.3Å; A84-E88 WeakPolarHBondContact CA-OE2 3.29Å
85C55.4Low71.1Confident64 Ų6449.8 Ų49.843%0.43232%0.322SS..  trans-69.2148177.5-70.10000109.4G87 E88 R347C85-G87 PolarHBondContact O-N 3Å; C85-E88 HydrophobicContact CB-CG 3.99Å; C85-E88 PolarHBondContact N-OE2 2.71Å; C85-E88 VanDerWaalsContact O-CB 3.29Å; C85-E88 WeakPolarHBondContact O-CB 3.31Å; C85-E88 PolarHBondContact O-N 3.12Å; C85-R347 PolarHBondContact SG-NH2 2.79Å
86I60.2Low71Confident107 Ų10750.8 Ų50.855%0.54933%0.327SS..Hα-helixtrans-48.9-36.4-176.3-69.7170000113.7E55 K61E55-I86 WeakPolarHBondContact OE1-CG2 3.37Å; K61-I86 PolarHBondContact NZ-O 2.91Å
87G64.3Low71.2Confident46 Ų4650 Ų5047%0.47432%0.323SS..Hα-helixtrans-76-22.1178.300000114.9C85 S91C85-G87 PolarHBondContact O-N 3Å; G87-S91 PolarHBondContact O-N 3.41Å; G87-S91 PolarHBondContact O-OG 3.32Å
88E70.5Confident71.4Confident21 Ų2152.3 Ų52.310%0.09833%0.332CS..Hα-helixtrans-71.5-42.5-178.5-59.4177.8171.400111A84 C85 S91 R92 S346 R347A84-E88 VanDerWaalsContact CA-OE2 3.3Å; A84-E88 WeakPolarHBondContact CA-OE2 3.29Å; C85-E88 HydrophobicContact CB-CG 3.99Å; C85-E88 PolarHBondContact N-OE2 2.71Å; C85-E88 VanDerWaalsContact O-CB 3.29Å; C85-E88 WeakPolarHBondContact O-CB 3.31Å; C85-E88 PolarHBondContact O-N 3.12Å; E88-S91 PolarHBondContact O-OG 3.22Å; E88-R92 WeakPolarHBondContact O-CB 3.37Å; E88-R92 PolarHBondContact O-N 3.19Å; E88-R92 VanDerWaalsContact O-N 3.16Å; E88-S346 VanDerWaalsContact CG-CB 3.47Å; E88-S346 VanDerWaalsContact OE1-CB 3.28Å; E88-S346 WeakPolarHBondContact OE1-CB 3.35Å; E88-S346 PolarHBondContact OE1-OG 2.85Å; E88-R347 IonicContact OE1-CZ 3.82Å; E88-R347 IonicContact OE1-NE 3.99Å; E88-R347 PolarHBondContact OE1-NE 2.63Å; E88-R347 IonicContact OE1-NH2 3.2Å
89E77.9Confident72.1Confident49 Ų4952.2 Ų52.223%0.22933%0.33CS..Hα-helixtrans-69.7-37177.7-170171.5-164.600111.6K61 S77 R92 L93K61-E89 HydrophobicContact CB-CG 4.41Å; K61-E89 HydrophobicContact CD-CB 4.4Å; S77-E89 WeakPolarHBondContact CB-OE1 3.45Å; S77-E89 PolarHBondContact OG-OE1 3.27Å; E89-R92 PolarHBondContact O-N 3.1Å; E89-L93 HydrophobicContact CG-CD1 4.32Å; E89-L93 HydrophobicContact CG-CG 4.48Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.22Å; E89-L93 PolarHBondContact O-N 3.32Å
90E83.7Confident73.7Confident49 Ų4951.4 Ų51.423%0.22932%0.322CS..Hα-helixtrans-59.6-55175.8-162.4162.5172.100112.8S53 K61 V63 R92 L93 Q94S53-E90 VanDerWaalsContact CB-OE1 3.25Å; S53-E90 WeakPolarHBondContact CB-OE1 3.45Å; S53-E90 VanDerWaalsContact OG-CD 3.23Å; S53-E90 PolarHBondContact OG-OE1 3.03Å; K61-E90 HydrophobicContact CD-CB 4.14Å; K61-E90 VanDerWaalsContact CE-OE2 3.3Å; K61-E90 WeakPolarHBondContact CE-OE2 3.45Å; K61-E90 IonicContact NZ-OE2 3.79Å; K61-E90 PolarHBondContact NZ-OE2 3.4Å; V63-E90 HydrophobicContact CG2-CG 4.24Å; E90-R92 VanDerWaalsContact C-N 3.25Å; E90-R92 PolarHBondContact O-N 3.03Å; E90-L93 PolarHBondContact O-N 2.97Å; E90-L93 VanDerWaalsContact O-N 3.12Å; E90-Q94 WeakPolarHBondContact O-CB 3.33Å; E90-Q94 PolarHBondContact O-N 2.87Å
91S82.1Confident75.7Confident49 Ų4950.5 Ų50.534%0.34331%0.306SS..Hα-helixtrans-61.3-38.3-178.354.30000110.9G87 E88 Q94 R95G87-S91 PolarHBondContact O-N 3.41Å; G87-S91 PolarHBondContact O-OG 3.32Å; E88-S91 PolarHBondContact O-OG 3.22Å; S91-Q94 PolarHBondContact O-N 3.13Å; S91-R95 WeakPolarHBondContact O-CB 3.5Å; S91-R95 VanDerWaalsContact O-CG 3.23Å; S91-R95 WeakPolarHBondContact O-CG 3.49Å; S91-R95 PolarHBondContact O-N 2.81Å
92R83.8Confident78.2Confident100 Ų10044.7 Ų44.738%0.37727%0.266SS..Hα-helixtrans-60.3-49172.6-176.2-172.2-177.6-175.68.2112.3E88 E89 E90 R95 L96 E139E88-R92 WeakPolarHBondContact O-CB 3.37Å; E88-R92 PolarHBondContact O-N 3.19Å; E88-R92 VanDerWaalsContact O-N 3.16Å; E89-R92 PolarHBondContact O-N 3.1Å; E90-R92 VanDerWaalsContact C-N 3.25Å; E90-R92 PolarHBondContact O-N 3.03Å; R92-R95 PolarHBondContact O-N 3.43Å; R92-L96 PolarHBondContact O-N 3.33Å; R92-E139 IonicContact CZ-OE1 3.52Å; R92-E139 IonicContact CZ-OE2 3.18Å; R92-E139 IonicContact NH1-OE1 3.69Å; R92-E139 PolarHBondContact NH1-OE1 3.3Å; R92-E139 VanDerWaalsContact NH1-OE1 3.07Å; R92-E139 IonicContact NH1-OE2 3.07Å; R92-E139 PolarHBondContact NH1-OE2 2.84Å; R92-E139 IonicContact NH2-OE1 2.91Å; R92-E139 PolarHBondContact NH2-OE1 3.5Å; R92-E139 IonicContact NH2-OE2 2.81Å; R92-E139 PolarHBondContact NH2-OE2 3.46Å
93L88.7Confident80.5Confident3 Ų340.8 Ų40.82%0.01624%0.239CC..Hα-helixtrans-66.8-40.5179.8-67.8179.4000111.4T7 K61 V63 A75 E89 E90 R95 L96 L97T7-L93 HydrophobicContact CG2-CD2 3.87Å; K61-L93 HydrophobicContact CB-CD1 4.15Å; K61-L93 HydrophobicContact CG-CD1 4.28Å; V63-L93 HydrophobicContact CB-CB 4.2Å; V63-L93 HydrophobicContact CG2-CB 3.78Å; V63-L93 HydrophobicContact CG2-CD1 3.94Å; A75-L93 HydrophobicContact CB-CB 4.15Å; A75-L93 HydrophobicContact CB-CD2 4.11Å; A75-L93 HydrophobicContact CB-CG 4.5Å; E89-L93 HydrophobicContact CG-CD1 4.32Å; E89-L93 HydrophobicContact CG-CG 4.48Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.22Å; E89-L93 PolarHBondContact O-N 3.32Å; E90-L93 PolarHBondContact O-N 2.97Å; E90-L93 VanDerWaalsContact O-N 3.12Å; L93-R95 PolarHBondContact O-N 2.87Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 2.94Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.46Å
94Q89.6Confident82.9Confident79 Ų7937.5 Ų37.537%0.36921%0.205SC..Hα-helixtrans-60.6-44.9175-177.4173.2-17.200111.7V63 E90 S91 L96 L97 E98V63-Q94 HydrophobicContact CG1-CB 4.44Å; E90-Q94 WeakPolarHBondContact O-CB 3.33Å; E90-Q94 PolarHBondContact O-N 2.87Å; S91-Q94 PolarHBondContact O-N 3.13Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.03Å; Q94-L97 WeakPolarHBondContact O-CB 3.4Å; Q94-L97 PolarHBondContact O-N 3.38Å; Q94-L97 VanDerWaalsContact O-N 3.15Å; Q94-E98 PolarHBondContact O-N 3.15Å
95R87.2Confident85.1Confident57 Ų5735.2 Ų35.222%0.21519%0.185CC..Hα-helixtrans-61.3-40174.1-75.8173.9176.7170.7-2112.2S91 R92 L93 L97 E98 N99 E353S91-R95 WeakPolarHBondContact O-CB 3.5Å; S91-R95 VanDerWaalsContact O-CG 3.23Å; S91-R95 WeakPolarHBondContact O-CG 3.49Å; S91-R95 PolarHBondContact O-N 2.81Å; R92-R95 PolarHBondContact O-N 3.43Å; L93-R95 PolarHBondContact O-N 2.87Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-L97 PolarHBondContact O-N 2.8Å; R95-E98 PolarHBondContact O-N 3.46Å; R95-N99 WeakPolarHBondContact O-CB 3.33Å; R95-N99 VanDerWaalsContact O-CG 3.32Å; R95-N99 PolarHBondContact O-N 3.03Å; R95-N99 PolarHBondContact O-ND2 2.89Å; R95-E353 IonicContact CZ-OE1 3.82Å; R95-E353 IonicContact NE-OE1 3.05Å; R95-E353 IonicContact NH2-OE1 2.67Å; R95-E353 PolarHBondContact NH2-OE1 3.38Å; R95-E353 IonicContact NH2-OE2 3.35Å
96L90.7Very high87.1Confident20 Ų2032.1 Ų32.111%0.10517%0.165CC..Hα-helixtrans-58.7-45.6173.2173.466.7000111.1T7 R92 L93 Q94 E98 N99 V100 L136 L137T7-L96 HydrophobicContact CG2-CD2 3.67Å; R92-L96 PolarHBondContact O-N 3.33Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 2.94Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.03Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.46Å; L96-N99 PolarHBondContact O-N 2.83Å; L96-V100 HydrophobicContact CD1-CG2 4.06Å; L96-V100 HydrophobicContact CG-CG2 4.39Å; L96-V100 WeakPolarHBondContact O-CB 3.47Å; L96-V100 VanDerWaalsContact O-CG2 3.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 2.57Å; L96-L136 HydrophobicContact CD1-CB 4.03Å; L96-L137 HydrophobicContact CD1-CD2 4.32Å; L96-L137 HydrophobicContact CD2-CD2 3.77Å
97L94.1Very high88.8Confident0 Ų027.6 Ų27.60%014%0.142CC..Hα-helixtrans-60.2-41.8177.8-63.4-170.9000112L9 V63 K65 L73 A75 L93 Q94 R95 V100 W101L9-L97 HydrophobicContact CD1-CD2 3.55Å; V63-L97 HydrophobicContact CB-CD1 4.41Å; V63-L97 HydrophobicContact CG1-CD1 3.95Å; K65-L97 HydrophobicContact CB-CB 4.36Å; K65-L97 HydrophobicContact CB-CD1 3.68Å; L73-L97 HydrophobicContact CB-CB 4.5Å; L73-L97 HydrophobicContact CB-CD1 4.48Å; L73-L97 HydrophobicContact CB-CD2 3.72Å; L73-L97 HydrophobicContact CB-CG 4.45Å; L73-L97 WeakPolarHBondContact CD1-O 3.35Å; A75-L97 HydrophobicContact CB-CD1 4.48Å; A75-L97 HydrophobicContact CB-CD2 3.63Å; A75-L97 HydrophobicContact CB-CG 4.1Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.46Å; Q94-L97 WeakPolarHBondContact O-CB 3.4Å; Q94-L97 PolarHBondContact O-N 3.38Å; Q94-L97 VanDerWaalsContact O-N 3.15Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-L97 PolarHBondContact O-N 2.8Å; L97-V100 PolarHBondContact O-N 2.92Å; L97-W101 PolarHBondContact O-N 2.96Å
98E92.7Very high90.2Very high58 Ų5826.6 Ų26.627%0.27113%0.126SC..Hα-helixtrans-66.3-41.8176.4-70.4174.1-167.600112.9K65 Q94 R95 L96 V100 W101 S102 Q200K65-E98 HydrophobicContact CD-CG 4.22Å; K65-E98 IonicContact NZ-OE1 2.94Å; K65-E98 PolarHBondContact NZ-OE1 3.32Å; Q94-E98 PolarHBondContact O-N 3.15Å; R95-E98 PolarHBondContact O-N 3.46Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.46Å; E98-V100 VanDerWaalsContact C-N 3.34Å; E98-W101 PolarHBondContact O-N 2.85Å; E98-S102 VanDerWaalsContact O-CB 3.31Å; E98-S102 WeakPolarHBondContact O-CB 3.43Å; E98-S102 PolarHBondContact O-N 2.59Å; E98-S102 PolarHBondContact O-OG 2.66Å; E98-Q200 PolarHBondContact O-NE2 2.79Å
99N92.2Very high91.4Very high8 Ų825.7 Ų25.74%0.04312%0.122CC..Hα-helixtrans-65.6-38.2176.4-73.9-19.9000111.5R95 L96 C103 L136 Q200R95-N99 WeakPolarHBondContact O-CB 3.33Å; R95-N99 VanDerWaalsContact O-CG 3.32Å; R95-N99 PolarHBondContact O-N 3.03Å; R95-N99 PolarHBondContact O-ND2 2.89Å; L96-N99 PolarHBondContact O-N 2.83Å; N99-C103 VanDerWaalsContact O-CB 3.23Å; N99-C103 WeakPolarHBondContact O-CB 3.43Å; N99-C103 PolarHBondContact O-N 2.92Å; N99-L136 HydrophobicContact CB-CD1 4.07Å; N99-L136 HydrophobicContact CB-CD2 4.36Å; N99-Q200 PolarHBondContact OD1-NE2 2.94Å
100V95.1Very high92.2Very high0 Ų025.4 Ų25.40%012%0.121CC..Hα-helixtrans-65.8-46.8175.11680000110.9L9 F21 L73 L96 L97 E98 S102 C103 M104 I133 L136L9-V100 HydrophobicContact CD1-CG2 4.44Å; L9-V100 HydrophobicContact CD2-CB 4.37Å; L9-V100 HydrophobicContact CD2-CG1 3.87Å; L9-V100 HydrophobicContact CD2-CG2 3.66Å; F21-V100 HydrophobicContact CZ-CG1 4.41Å; L73-V100 HydrophobicContact CD1-CB 4.03Å; L73-V100 HydrophobicContact CD1-CG1 3.67Å; L73-V100 HydrophobicContact CD2-CG1 4.15Å; L96-V100 HydrophobicContact CD1-CG2 4.06Å; L96-V100 HydrophobicContact CG-CG2 4.39Å; L96-V100 WeakPolarHBondContact O-CB 3.47Å; L96-V100 VanDerWaalsContact O-CG2 3.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 2.57Å; L97-V100 PolarHBondContact O-N 2.92Å; E98-V100 VanDerWaalsContact C-N 3.34Å; V100-S102 VanDerWaalsContact C-N 3.35Å; V100-S102 PolarHBondContact O-N 3.05Å; V100-C103 WeakPolarHBondContact O-CB 3.45Å; V100-C103 PolarHBondContact O-N 3.47Å; V100-M104 HydrophobicContact CG1-SD 4Å; V100-M104 VanDerWaalsContact O-CG 3.31Å; V100-M104 WeakPolarHBondContact O-CG 3.29Å; V100-M104 PolarHBondContact O-N 2.92Å; V100-I133 HydrophobicContact CG1-CD1 4.27Å; V100-I133 HydrophobicContact CG1-CG1 4.32Å; V100-I133 HydrophobicContact CG2-CG2 4.44Å; V100-L136 HydrophobicContact CG2-CD1 4.27Å
101W95.9Very high92.6Very high19 Ų1926.9 Ų26.97%0.07213%0.13CC..Hα-helixtrans-58.6-48.6175.8172-104000111.2F67 H68 V71 L73 L97 E98 C103 M104 V105 L113F67-W101 HydrophobicContact CB-CD2 3.72Å; F67-W101 HydrophobicContact CB-CE3 3.62Å; F67-W101 HydrophobicContact CB-CG 4.42Å; F67-W101 HydrophobicContact CB-CH2 3.93Å; F67-W101 HydrophobicContact CB-CZ2 4.05Å; F67-W101 HydrophobicContact CB-CZ3 3.72Å; F67-W101 HydrophobicContact CD1-CB 3.82Å; F67-W101 AromaticContact CD1-CD1 3.53Å; F67-W101 AromaticContact CD1-CD2 3.55Å; F67-W101 HydrophobicContact CD1-CD2 3.55Å; F67-W101 AromaticContact CD1-CE2 3.9Å; F67-W101 HydrophobicContact CD1-CE3 4.19Å; F67-W101 AromaticContact CD1-CG 3.32Å; F67-W101 HydrophobicContact CD1-CG 3.32Å; F67-W101 AromaticContact CD1-NE1 3.84Å; F67-W101 HydrophobicContact CD2-CB 4.32Å; F67-W101 HydrophobicContact CD2-CD2 4.26Å; F67-W101 HydrophobicContact CD2-CE3 4.13Å; F67-W101 HydrophobicContact CD2-CG 4.35Å; F67-W101 HydrophobicContact CE1-CB 3.48Å; F67-W101 VanDerWaalsContact CE1-CB 3.48Å; F67-W101 AromaticContact CE1-CD1 3.71Å; F67-W101 HydrophobicContact CE1-CD2 4.19Å; F67-W101 AromaticContact CE1-CG 3.48Å; F67-W101 HydrophobicContact CE1-CG 3.48Å; F67-W101 VanDerWaalsContact CE1-CG 3.48Å; F67-W101 HydrophobicContact CE2-CB 4.05Å; F67-W101 HydrophobicContact CE2-CG 4.49Å; F67-W101 HydrophobicContact CG-CB 4.22Å; F67-W101 AromaticContact CG-CD2 3.58Å; F67-W101 HydrophobicContact CG-CD2 3.58Å; F67-W101 AromaticContact CG-CE3 3.72Å; F67-W101 HydrophobicContact CG-CE3 3.72Å; F67-W101 AromaticContact CG-CG 3.78Å; F67-W101 HydrophobicContact CG-CG 3.78Å; F67-W101 HydrophobicContact CG-CZ3 4.35Å; F67-W101 HydrophobicContact CZ-CB 3.6Å; F67-W101 HydrophobicContact CZ-CG 4.07Å; H68-W101 AromaticContact CD2-CZ2 3.4Å; H68-W101 WeakPolarHBondContact CD2-CZ2 3.49Å; H68-W101 AromaticContact NE2-CZ2 3.87Å; V71-W101 HydrophobicContact CB-CZ3 4Å; V71-W101 HydrophobicContact CG2-CZ3 4.22Å; L73-W101 HydrophobicContact CD1-CB 4.16Å; L97-W101 PolarHBondContact O-N 2.96Å; E98-W101 PolarHBondContact O-N 2.85Å; W101-C103 VanDerWaalsContact C-N 3.27Å; W101-C103 PolarHBondContact O-N 2.87Å; W101-M104 HydrophobicContact CE3-CE 4.35Å; W101-M104 HydrophobicContact CZ3-CE 4.44Å; W101-M104 WeakPolarHBondContact O-CA 3.38Å; W101-M104 WeakPolarHBondContact O-CB 3.44Å; W101-M104 PolarHBondContact O-N 2.87Å; W101-V105 HydrophobicContact CD2-CG2 4.29Å; W101-V105 HydrophobicContact CZ2-CG2 3.91Å; W101-V105 WeakPolarHBondContact O-CG2 3.46Å; W101-V105 PolarHBondContact O-N 2.74Å; W101-L113 HydrophobicContact CE3-CD1 4.35Å; W101-L113 HydrophobicContact CH2-CB 3.57Å; W101-L113 HydrophobicContact CH2-CD1 3.9Å; W101-L113 HydrophobicContact CH2-CG 4.37Å; W101-L113 HydrophobicContact CZ2-CB 4.49Å; W101-L113 HydrophobicContact CZ2-CD1 4.37Å; W101-L113 HydrophobicContact CZ3-CB 3.9Å; W101-L113 HydrophobicContact CZ3-CD1 3.88Å; W101-L113 HydrophobicContact CZ3-CG 4.41Å
102S95.5Very high93.1Very high9 Ų928.9 Ų28.96%0.06313%0.134CC..Hα-helixtrans-62.9-35.2178.5-59.60000111.9E98 V100 V105 L106 Q200 L204 P227E98-S102 VanDerWaalsContact O-CB 3.31Å; E98-S102 WeakPolarHBondContact O-CB 3.43Å; E98-S102 PolarHBondContact O-N 2.59Å; E98-S102 PolarHBondContact O-OG 2.66Å; V100-S102 VanDerWaalsContact C-N 3.35Å; V100-S102 PolarHBondContact O-N 3.05Å; S102-V105 PolarHBondContact O-N 2.98Å; S102-L106 VanDerWaalsContact O-CB 3.31Å; S102-L106 WeakPolarHBondContact O-CB 3.34Å; S102-L106 PolarHBondContact O-N 2.85Å; S102-Q200 PolarHBondContact OG-NE2 3.07Å; S102-Q200 PolarHBondContact OG-OE1 3.09Å; S102-L204 VanDerWaalsContact CB-CD1 3.48Å; S102-P227 WeakPolarHBondContact O-CG 3.25Å
103C95.6Very high93.5Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-63.8-41.8171.1176.20000112.2N99 V100 W101 L106 V107 L132 L136 L204N99-C103 VanDerWaalsContact O-CB 3.23Å; N99-C103 WeakPolarHBondContact O-CB 3.43Å; N99-C103 PolarHBondContact O-N 2.92Å; V100-C103 WeakPolarHBondContact O-CB 3.45Å; V100-C103 PolarHBondContact O-N 3.47Å; W101-C103 VanDerWaalsContact C-N 3.27Å; W101-C103 PolarHBondContact O-N 2.87Å; C103-L106 PolarHBondContact O-N 2.91Å; C103-V107 PolarHBondContact O-N 2.88Å; C103-L132 WeakPolarHBondContact SG-CB 3.46Å; C103-L136 HydrophobicContact CB-CD1 4.28Å; C103-L204 HydrophobicContact CB-CD2 4.11Å
104M96.1Very high93.7Very high0 Ų026.1 Ų26.10%013%0.128CC..Hα-helixtrans-63.8-43.8176.7-68.1164.252.800110.6F21 V71 L73 V100 W101 V107 L108 L113 L126 I133F21-M104 HydrophobicContact CE1-SD 4.15Å; F21-M104 HydrophobicContact CZ-SD 4.23Å; V71-M104 HydrophobicContact CG1-CE 4.28Å; L73-M104 HydrophobicContact CD2-SD 4.39Å; V100-M104 HydrophobicContact CG1-SD 4Å; V100-M104 VanDerWaalsContact O-CG 3.31Å; V100-M104 WeakPolarHBondContact O-CG 3.29Å; V100-M104 PolarHBondContact O-N 2.92Å; W101-M104 HydrophobicContact CE3-CE 4.35Å; W101-M104 HydrophobicContact CZ3-CE 4.44Å; W101-M104 WeakPolarHBondContact O-CA 3.38Å; W101-M104 WeakPolarHBondContact O-CB 3.44Å; W101-M104 PolarHBondContact O-N 2.87Å; M104-V107 PolarHBondContact O-N 2.84Å; M104-L108 WeakPolarHBondContact O-CB 3.37Å; M104-L108 PolarHBondContact O-N 3.2Å; M104-L113 HydrophobicContact CB-CD1 3.65Å; M104-L113 HydrophobicContact CB-CD2 4.33Å; M104-L113 HydrophobicContact CE-CD1 4.32Å; M104-L113 HydrophobicContact CE-CD2 3.67Å; M104-L126 HydrophobicContact CE-CD2 3.75Å; M104-L126 HydrophobicContact CG-CD2 4.04Å; M104-L126 HydrophobicContact SD-CD2 4.39Å; M104-I133 HydrophobicContact CG-CD1 4.47Å
105V96.8Very high93.6Very high1 Ų126.6 Ų26.61%0.00613%0.133CC..Hα-helixtrans-62-45.6174.7176.50000110.4W101 S102 V107 L108 G109 Q110 L113 F225 P227 P231W101-V105 HydrophobicContact CD2-CG2 4.29Å; W101-V105 HydrophobicContact CZ2-CG2 3.91Å; W101-V105 WeakPolarHBondContact O-CG2 3.46Å; W101-V105 PolarHBondContact O-N 2.74Å; S102-V105 PolarHBondContact O-N 2.98Å; V105-V107 PolarHBondContact O-N 2.96Å; V105-V107 VanDerWaalsContact O-N 3.15Å; V105-L108 PolarHBondContact O-N 2.71Å; V105-G109 VanDerWaalsContact O-CA 3.24Å; V105-G109 WeakPolarHBondContact O-CA 3.44Å; V105-G109 PolarHBondContact O-N 2.93Å; V105-Q110 HydrophobicContact CG1-CB 4.12Å; V105-Q110 HydrophobicContact CG2-CB 4.38Å; V105-L113 HydrophobicContact CB-CD1 4.49Å; V105-L113 HydrophobicContact CG2-CD1 3.76Å; V105-F225 WeakPolarHBondContact O-CB 3.42Å; V105-P227 HydrophobicContact CB-CB 4.31Å; V105-P227 HydrophobicContact CB-CG 4.26Å; V105-P227 HydrophobicContact CG1-CB 4.13Å; V105-P227 HydrophobicContact CG1-CG 4.25Å; V105-P231 HydrophobicContact CG1-CB 3.86Å
106L96.6Very high93.5Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-53.9-38.5-179.6177.470.1000112.9S102 C103 L204 L205 L208 V224 F225 P227S102-L106 VanDerWaalsContact O-CB 3.31Å; S102-L106 WeakPolarHBondContact O-CB 3.34Å; S102-L106 PolarHBondContact O-N 2.85Å; C103-L106 PolarHBondContact O-N 2.91Å; L106-L204 HydrophobicContact CD2-CB 3.71Å; L106-L205 HydrophobicContact CD1-CD2 4.01Å; L106-L205 HydrophobicContact CD1-CG 4.46Å; L106-L208 HydrophobicContact CD2-CD2 4.41Å; L106-V224 HydrophobicContact CD1-CB 3.99Å; L106-V224 HydrophobicContact CD1-CG1 4.4Å; L106-V224 CarbonylContact O-C 3.56Å; L106-V224 WeakPolarHBondContact O-CA 3.1Å; L106-F225 VanDerWaalsContact CA-O 3.3Å; L106-F225 WeakPolarHBondContact CA-O 3.28Å; L106-F225 WeakPolarHBondContact CD1-O 3.39Å; L106-F225 PolarHBondContact O-N 2.92Å; L106-P227 HydrophobicContact CB-CG 4.28Å
107V95.4Very high93.1Very high11 Ų1136.9 Ų36.97%0.06717%0.174CC..Hα-helixtrans-94.4-36.8-173.7175.40000113C103 M104 V105 S128 L132 Y222C103-V107 PolarHBondContact O-N 2.88Å; M104-V107 PolarHBondContact O-N 2.84Å; V105-V107 PolarHBondContact O-N 2.96Å; V105-V107 VanDerWaalsContact O-N 3.15Å; V107-S128 WeakPolarHBondContact CG1-OG 3.41Å; V107-L132 HydrophobicContact CG2-CD1 3.9Å; V107-Y222 WeakPolarHBondContact CG1-OH 3.35Å
108L94.4Very high92.8Very high26 Ų2641.2 Ų41.214%0.13620%0.198CC..Hα-helixtrans-108.5-21.4-173.1-60.5-178.6000114.2M104 V105 L113 L122 D125 L126M104-L108 WeakPolarHBondContact O-CB 3.37Å; M104-L108 PolarHBondContact O-N 3.2Å; V105-L108 PolarHBondContact O-N 2.71Å; L108-L113 HydrophobicContact CD1-CD2 4.14Å; L108-L122 HydrophobicContact CD1-CD1 4.14Å; L108-D125 HydrophobicContact CD2-CB 4.06Å; L108-L126 HydrophobicContact CD1-CD2 3.55Å; L108-L126 HydrophobicContact CD1-CG 3.99Å
109G94.9Very high92.7Very high2 Ų241 Ų412%0.02120%0.198CC..  trans83.9152.2-169.100000112.4V105 F225V105-G109 VanDerWaalsContact O-CA 3.24Å; V105-G109 WeakPolarHBondContact O-CA 3.44Å; V105-G109 PolarHBondContact O-N 2.93Å; G109-F225 VanDerWaalsContact CA-CG 3.45Å; G109-F225 VanDerWaalsContact N-CD2 3.27Å
110Q94.6Very high92.7Very high43 Ų4346.4 Ų46.420%0.20122%0.223CC..Hα-helixtrans-68-35.8-177.3177.9178.1-39.600112.3V105 E112 L113 V114 P231 T232V105-Q110 HydrophobicContact CG1-CB 4.12Å; V105-Q110 HydrophobicContact CG2-CB 4.38Å; Q110-E112 VanDerWaalsContact C-N 3.32Å; Q110-E112 PolarHBondContact O-N 3.1Å; Q110-L113 PolarHBondContact O-N 2.88Å; Q110-V114 HydrophobicContact CG-CG2 3.77Å; Q110-V114 WeakPolarHBondContact O-CG2 3.45Å; Q110-V114 PolarHBondContact O-N 2.89Å; Q110-P231 HydrophobicContact CB-CB 3.84Å; Q110-P231 PolarHBondContact N-O 3.49Å; Q110-P231 VanDerWaalsContact OE1-CB 3.23Å; Q110-T232 HydrophobicContact CB-CG2 4.48Å
111D92.9Very high92.5Very high80 Ų8052.2 Ų52.243%0.42825%0.245SC..Hα-helixtrans-61.8-38.3-175.7-73.7-26.4000112.9L113 N115 T232D111-L113 VanDerWaalsContact C-N 3.3Å; D111-L113 PolarHBondContact O-N 2.88Å; D111-N115 VanDerWaalsContact O-CB 3.32Å; D111-N115 WeakPolarHBondContact O-CB 3.24Å; D111-N115 PolarHBondContact O-N 2.82Å; D111-N115 PolarHBondContact O-ND2 2.95Å; D111-T232 VanDerWaalsContact OD1-CG2 3.32Å; D111-T232 WeakPolarHBondContact OD1-CG2 3.46Å; D111-T232 WeakPolarHBondContact OD2-CB 3.48Å; D111-T232 WeakPolarHBondContact OD2-CG2 3.5Å
112E91.4Very high92.3Very high91 Ų9151.9 Ų51.943%0.42524%0.244SC..Hα-helixtrans-70.1-26.8177.1-68.9-69.6149.900112.3Q110Q110-E112 VanDerWaalsContact C-N 3.32Å; Q110-E112 PolarHBondContact O-N 3.1Å
113L92.6Very high92.2Very high0 Ų053.8 Ų53.80%025%0.251CS..Hα-helixtrans-84.5-35.1179.1-62.8174.8000112.7S70 W101 M104 V105 L108 Q110 D111 L116 L122 L126S70-L113 WeakPolarHBondContact CB-O 3.4Å; S70-L113 PolarHBondContact OG-O 2.89Å; W101-L113 HydrophobicContact CE3-CD1 4.35Å; W101-L113 HydrophobicContact CH2-CB 3.57Å; W101-L113 HydrophobicContact CH2-CD1 3.9Å; W101-L113 HydrophobicContact CH2-CG 4.37Å; W101-L113 HydrophobicContact CZ2-CB 4.49Å; W101-L113 HydrophobicContact CZ2-CD1 4.37Å; W101-L113 HydrophobicContact CZ3-CB 3.9Å; W101-L113 HydrophobicContact CZ3-CD1 3.88Å; W101-L113 HydrophobicContact CZ3-CG 4.41Å; M104-L113 HydrophobicContact CB-CD1 3.65Å; M104-L113 HydrophobicContact CB-CD2 4.33Å; M104-L113 HydrophobicContact CE-CD1 4.32Å; M104-L113 HydrophobicContact CE-CD2 3.67Å; V105-L113 HydrophobicContact CB-CD1 4.49Å; V105-L113 HydrophobicContact CG2-CD1 3.76Å; L108-L113 HydrophobicContact CD1-CD2 4.14Å; Q110-L113 PolarHBondContact O-N 2.88Å; D111-L113 VanDerWaalsContact C-N 3.3Å; D111-L113 PolarHBondContact O-N 2.88Å; L113-L116 WeakPolarHBondContact O-CD2 3.18Å; L113-L122 HydrophobicContact CD2-CD1 4.02Å; L113-L126 HydrophobicContact CD2-CD2 4.31Å
114V92.8Very high92.1Very high44 Ų4460.9 Ų60.927%0.26728%0.278SS..Hα-helixtrans-81.2-43.8179.6178.60000111H68 Q110 L116H68-V114 HydrophobicContact CB-CG1 4.25Å; H68-V114 HydrophobicContact CB-CG2 3.76Å; Q110-V114 HydrophobicContact CG-CG2 3.77Å; Q110-V114 WeakPolarHBondContact O-CG2 3.45Å; Q110-V114 PolarHBondContact O-N 2.89Å; V114-L116 PolarHBondContact O-N 3.41Å
115N88.4Confident92Very high90 Ų9062.8 Ų62.848%0.48129%0.288SS..SBendtrans-94.670.3-175.5-62.5-63000112.1D111 R117D111-N115 VanDerWaalsContact O-CB 3.32Å; D111-N115 WeakPolarHBondContact O-CB 3.24Å; D111-N115 PolarHBondContact O-N 2.82Å; D111-N115 PolarHBondContact O-ND2 2.95Å; N115-R117 PolarHBondContact O-N 3.48Å
116L84.4Confident91.9Very high53 Ų5362.8 Ų62.828%0.27729%0.288SS..  trans-67.282.4-176.7-59.4-175.3000113.5T13 S70 V71 L113 V114 L122T13-L116 HydrophobicContact CG2-CD1 4.07Å; S70-L116 WeakPolarHBondContact O-CD1 3.22Å; V71-L116 HydrophobicContact CG2-CD1 4.44Å; L113-L116 WeakPolarHBondContact O-CD2 3.18Å; V114-L116 PolarHBondContact O-N 3.41Å; L116-L122 HydrophobicContact CD2-CD2 3.27Å
117R82.3Confident91.7Very high239 Ų23970.8 Ų70.890%0.90232%0.318SS*.SBendtrans-83.1-37.4177.7-65.1-178.2-175.8-1793.2113.7N115N115-R117 PolarHBondContact O-N 3.48Å
118N88.6Confident91.6Very high92 Ų9272.8 Ų72.849%0.49233%0.333SS..  trans-139.8104.1-177.4-175.8-24.4000110.6E120 R121 L122N118-E120 PolarHBondContact O-N 3.29Å; N118-E120 PolarHBondContact OD1-N 3.08Å; N118-E120 VanDerWaalsContact OD1-N 3.11Å; N118-R121 HydrophobicContact CB-CB 3.94Å; N118-R121 PolarHBondContact O-N 3.34Å; N118-R121 PolarHBondContact OD1-N 3.35Å; N118-L122 PolarHBondContact O-N 3.35Å
119I90.1Very high91.5Very high53 Ų5371.5 Ų71.527%0.27233%0.326SS..Hα-helixtrans-63.7-39.9-176.3-57175.6000111.5T13 V18 L20 L122 K123T13-I119 HydrophobicContact CG2-CD1 4.34Å; V18-I119 HydrophobicContact CG1-CG2 4.06Å; L20-I119 HydrophobicContact CD2-CG2 3.75Å; I119-L122 PolarHBondContact O-N 2.86Å; I119-K123 WeakPolarHBondContact O-CG 3.49Å; I119-K123 PolarHBondContact O-N 2.68Å
120E91.6Very high91.4Very high122 Ų12273.7 Ų73.757%0.5734%0.335SS*.Hα-helixtrans-69.3-35.7-179-67-55.613100112.1N118 K123 R124N118-E120 PolarHBondContact O-N 3.29Å; N118-E120 PolarHBondContact OD1-N 3.08Å; N118-E120 VanDerWaalsContact OD1-N 3.11Å; E120-K123 IonicContact OE1-NZ 2.73Å; E120-K123 PolarHBondContact OE1-NZ 2.67Å; E120-K123 IonicContact OE2-NZ 2.78Å; E120-R124 PolarHBondContact O-N 3.28Å
121R91.9Very high91.2Very high122 Ų12274.4 Ų74.446%0.4635%0.345SS..Hα-helixtrans-63.2-48.8170.1179.5-179.9168.3-168.2-7.9110.6N118 K123 R124 D125N118-R121 HydrophobicContact CB-CB 3.94Å; N118-R121 PolarHBondContact O-N 3.34Å; N118-R121 PolarHBondContact OD1-N 3.35Å; R121-K123 VanDerWaalsContact C-N 3.33Å; R121-K123 PolarHBondContact O-N 2.72Å; R121-R124 WeakPolarHBondContact O-CB 3.22Å; R121-R124 PolarHBondContact O-N 3.42Å; R121-D125 WeakPolarHBondContact CG-OD2 3.38Å; R121-D125 IonicContact NE-OD2 3.45Å; R121-D125 PolarHBondContact NE-OD2 2.66Å; R121-D125 VanDerWaalsContact O-CG 3.29Å; R121-D125 PolarHBondContact O-N 2.87Å
122L92.4Very high91.1Very high11 Ų1171 Ų716%0.05833%0.326CS..Hα-helixtrans-58.6-44.5179.317662.2000111.9L20 L108 L113 L116 N118 I119 R124 D125 L126L20-L122 HydrophobicContact CD1-CD2 4.01Å; L20-L122 HydrophobicContact CD2-CD2 3.98Å; L20-L122 HydrophobicContact CD2-CG 4.45Å; L108-L122 HydrophobicContact CD1-CD1 4.14Å; L113-L122 HydrophobicContact CD2-CD1 4.02Å; L116-L122 HydrophobicContact CD2-CD2 3.27Å; N118-L122 PolarHBondContact O-N 3.35Å; I119-L122 PolarHBondContact O-N 2.86Å; L122-R124 PolarHBondContact O-N 2.98Å; L122-D125 PolarHBondContact O-N 2.86Å; L122-D125 VanDerWaalsContact O-N 3.13Å; L122-L126 HydrophobicContact CD1-CD1 3.95Å; L122-L126 HydrophobicContact CD1-CD2 4.35Å; L122-L126 HydrophobicContact CD1-CG 3.81Å; L122-L126 HydrophobicContact CD2-CD1 4.28Å; L122-L126 HydrophobicContact CG-CD1 3.72Å; L122-L126 HydrophobicContact CG-CG 4.1Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 3.17Å
123K93.2Very high91.2Very high49 Ų4966.6 Ų66.621%0.21331%0.306CS..Hα-helixtrans-55.6-37.9175.4-75.7175.8179.6169.10112.9P19 L20 I119 E120 R121P19-K123 WeakPolarHBondContact O-CE 3.13Å; L20-K123 HydrophobicContact CD2-CG 4.18Å; I119-K123 WeakPolarHBondContact O-CG 3.49Å; I119-K123 PolarHBondContact O-N 2.68Å; E120-K123 IonicContact OE1-NZ 2.73Å; E120-K123 PolarHBondContact OE1-NZ 2.67Å; E120-K123 IonicContact OE2-NZ 2.78Å; R121-K123 VanDerWaalsContact C-N 3.33Å; R121-K123 PolarHBondContact O-N 2.72Å
124R93.4Very high91Very high149 Ų14968.2 Ų68.256%0.56231%0.314SS*.Hα-helixtrans-71.4-45177.2-174-171.467174.70110.7E120 R121 L122 L126 R127E120-R124 PolarHBondContact O-N 3.28Å; R121-R124 WeakPolarHBondContact O-CB 3.22Å; R121-R124 PolarHBondContact O-N 3.42Å; L122-R124 PolarHBondContact O-N 2.98Å; R124-L126 VanDerWaalsContact C-N 3.34Å; R124-R127 VanDerWaalsContact O-CB 3.3Å; R124-R127 WeakPolarHBondContact O-CB 3.43Å; R124-R127 VanDerWaalsContact O-CG 3.31Å; R124-R127 WeakPolarHBondContact O-CG 3.45Å; R124-R127 PolarHBondContact O-N 3.4Å
125D92.8Very high90.7Very high41 Ų4167.8 Ų67.822%0.21931%0.309CS..Hα-helixtrans-68.7-35.8-176.1-62.5-6.7000110.2L108 R121 L122 R127 S128L108-D125 HydrophobicContact CD2-CB 4.06Å; R121-D125 WeakPolarHBondContact CG-OD2 3.38Å; R121-D125 IonicContact NE-OD2 3.45Å; R121-D125 PolarHBondContact NE-OD2 2.66Å; R121-D125 VanDerWaalsContact O-CG 3.29Å; R121-D125 PolarHBondContact O-N 2.87Å; L122-D125 PolarHBondContact O-N 2.86Å; L122-D125 VanDerWaalsContact O-N 3.13Å; D125-R127 PolarHBondContact O-N 3.41Å; D125-S128 PolarHBondContact O-N 3.24Å; D125-S128 PolarHBondContact O-OG 3.19Å
126L94.6Very high90.7Very high0 Ų064.7 Ų64.70%029%0.292CS..G310 helixtrans-59.8-17.6173.8-75.3167.9000115.1L20 F21 M104 L108 L113 L122 R124 S128 C129 F130L20-L126 HydrophobicContact CB-CD1 4.01Å; L20-L126 HydrophobicContact CD1-CD1 4.34Å; F21-L126 HydrophobicContact CD1-CB 4.46Å; F21-L126 HydrophobicContact CD1-CD1 3.98Å; F21-L126 HydrophobicContact CE1-CD1 4.23Å; F21-L126 HydrophobicContact CE1-CD2 4.34Å; M104-L126 HydrophobicContact CE-CD2 3.75Å; M104-L126 HydrophobicContact CG-CD2 4.04Å; M104-L126 HydrophobicContact SD-CD2 4.39Å; L108-L126 HydrophobicContact CD1-CD2 3.55Å; L108-L126 HydrophobicContact CD1-CG 3.99Å; L113-L126 HydrophobicContact CD2-CD2 4.31Å; L122-L126 HydrophobicContact CD1-CD1 3.95Å; L122-L126 HydrophobicContact CD1-CD2 4.35Å; L122-L126 HydrophobicContact CD1-CG 3.81Å; L122-L126 HydrophobicContact CD2-CD1 4.28Å; L122-L126 HydrophobicContact CG-CD1 3.72Å; L122-L126 HydrophobicContact CG-CG 4.1Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 3.17Å; R124-L126 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.29Å; L126-C129 WeakPolarHBondContact O-CB 3.33Å; L126-C129 PolarHBondContact O-N 2.69Å; L126-F130 HydrophobicContact CB-CE1 4.25Å; L126-F130 WeakPolarHBondContact O-CD1 3.42Å; L126-F130 VanDerWaalsContact O-CE1 3.25Å; L126-F130 WeakPolarHBondContact O-CE1 3.23Å
127R93.8Very high90.8Very high168 Ų16863.2 Ų63.263%0.63428%0.284SS*.G310 helixtrans-63.3-26.7177.9-62.4-179.9-179.6-179.6-0.2112.5R124 D125 C129 F130R124-R127 VanDerWaalsContact O-CB 3.3Å; R124-R127 WeakPolarHBondContact O-CB 3.43Å; R124-R127 VanDerWaalsContact O-CG 3.31Å; R124-R127 WeakPolarHBondContact O-CG 3.45Å; R124-R127 PolarHBondContact O-N 3.4Å; D125-R127 PolarHBondContact O-N 3.41Å; R127-C129 PolarHBondContact O-N 2.81Å; R127-F130 HydrophobicContact CB-CD2 4.19Å; R127-F130 HydrophobicContact CB-CE2 4.08Å; R127-F130 HydrophobicContact CB-CZ 4.5Å; R127-F130 HydrophobicContact CG-CD2 4.27Å; R127-F130 HydrophobicContact CG-CE2 3.67Å; R127-F130 HydrophobicContact CG-CZ 4.01Å; R127-F130 PolarHBondContact O-N 3.32Å
128S91.8Very high90.7Very high53 Ų5357 Ų5737%0.37127%0.266SS..G310 helixtrans-65.1-28.5175.159.90000112.2V107 D125 L126V107-S128 WeakPolarHBondContact CG1-OG 3.41Å; D125-S128 PolarHBondContact O-N 3.24Å; D125-S128 PolarHBondContact O-OG 3.19Å; L126-S128 PolarHBondContact O-N 3.29Å
129C93.3Very high89.5Confident0 Ų056.5 Ų56.50%026%0.26CS..G310 helixtrans-79.6-18.8179-51.80000112.9L126 R127 C131 L132 I133L126-C129 WeakPolarHBondContact O-CB 3.33Å; L126-C129 PolarHBondContact O-N 2.69Å; R127-C129 PolarHBondContact O-N 2.81Å; C129-C131 VanDerWaalsContact C-N 3.33Å; C129-C131 PolarHBondContact O-N 3.01Å; C129-L132 PolarHBondContact O-N 3.17Å; C129-I133 HydrophobicContact CB-CD1 3.81Å; C129-I133 HydrophobicContact CB-CG1 4.34Å; C129-I133 WeakPolarHBondContact O-CG1 3.33Å; C129-I133 PolarHBondContact O-N 2.94Å
130F92.7Very high88Confident47 Ų4763 Ų6321%0.20629%0.286CS..Hα-helixtrans-59-41.8-168.3-69.8-6.2000112.9F21 L126 R127 L132 I133 D134F21-F130 HydrophobicContact CB-CE1 3.88Å; F21-F130 HydrophobicContact CB-CZ 3.9Å; F21-F130 HydrophobicContact CD1-CE1 4.05Å; F21-F130 AromaticContact CG-CE1 3.92Å; F21-F130 HydrophobicContact CG-CE1 3.92Å; F21-F130 HydrophobicContact CG-CZ 4.45Å; L126-F130 HydrophobicContact CB-CE1 4.25Å; L126-F130 WeakPolarHBondContact O-CD1 3.42Å; L126-F130 VanDerWaalsContact O-CE1 3.25Å; L126-F130 WeakPolarHBondContact O-CE1 3.23Å; R127-F130 HydrophobicContact CB-CD2 4.19Å; R127-F130 HydrophobicContact CB-CE2 4.08Å; R127-F130 HydrophobicContact CB-CZ 4.5Å; R127-F130 HydrophobicContact CG-CD2 4.27Å; R127-F130 HydrophobicContact CG-CE2 3.67Å; R127-F130 HydrophobicContact CG-CZ 4.01Å; R127-F130 PolarHBondContact O-N 3.32Å; F130-L132 VanDerWaalsContact C-N 3.27Å; F130-L132 PolarHBondContact O-N 2.73Å; F130-I133 PolarHBondContact O-N 3.08Å; F130-D134 VanDerWaalsContact O-CB 3.29Å; F130-D134 WeakPolarHBondContact O-CB 3.46Å; F130-D134 PolarHBondContact O-N 3.31Å
131C90.2Very high86.6Confident59 Ų5959.3 Ų59.340%0.39927%0.269SS..Hα-helixtrans-61.2-36.6178.7-174.90000112.5C129 K135 T211C129-C131 VanDerWaalsContact C-N 3.33Å; C129-C131 PolarHBondContact O-N 3.01Å; C131-K135 WeakPolarHBondContact O-CG 3.41Å; C131-K135 PolarHBondContact O-N 2.94Å; C131-T211 HydrophobicContact CB-CG2 4.12Å; C131-T211 WeakPolarHBondContact SG-CG2 3.5Å
132L90.8Very high85.5Confident7 Ų757.9 Ų57.94%0.03727%0.268CS..Hα-helixtrans-73.9-44176.5-67.5175.9000112C103 V107 C129 F130 D134 K135 L136 A207 L208 T211C103-L132 WeakPolarHBondContact SG-CB 3.46Å; V107-L132 HydrophobicContact CG2-CD1 3.9Å; C129-L132 PolarHBondContact O-N 3.17Å; F130-L132 VanDerWaalsContact C-N 3.27Å; F130-L132 PolarHBondContact O-N 2.73Å; L132-D134 VanDerWaalsContact C-N 3.26Å; L132-D134 PolarHBondContact O-N 3.06Å; L132-K135 WeakPolarHBondContact O-CB 3.35Å; L132-K135 PolarHBondContact O-N 3.05Å; L132-K135 VanDerWaalsContact O-N 3.12Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.79Å; L132-A207 HydrophobicContact CD2-CB 4.04Å; L132-L208 HydrophobicContact CD1-CB 4.39Å; L132-L208 HydrophobicContact CD1-CD1 4.13Å; L132-L208 HydrophobicContact CD2-CB 4.41Å; L132-T211 WeakPolarHBondContact CD2-OG1 3.48Å
133I92.8Very high84.4Confident0 Ų057.4 Ų57.40%027%0.266CS..Hα-helixtrans-59.3-41.7176.3-67.2170.7000110.4L9 F21 R23 V100 M104 C129 F130 K135 L136 L137L9-I133 HydrophobicContact CD2-CG2 3.5Å; L9-I133 VanDerWaalsContact CD2-CG2 3.5Å; F21-I133 HydrophobicContact CE1-CD1 4.33Å; F21-I133 HydrophobicContact CE2-CD1 4.25Å; F21-I133 HydrophobicContact CZ-CD1 3.79Å; R23-I133 HydrophobicContact CB-CG2 4.32Å; R23-I133 HydrophobicContact CG-CG2 4.36Å; V100-I133 HydrophobicContact CG1-CD1 4.27Å; V100-I133 HydrophobicContact CG1-CG1 4.32Å; V100-I133 HydrophobicContact CG2-CG2 4.44Å; M104-I133 HydrophobicContact CG-CD1 4.47Å; C129-I133 HydrophobicContact CB-CD1 3.81Å; C129-I133 HydrophobicContact CB-CG1 4.34Å; C129-I133 WeakPolarHBondContact O-CG1 3.33Å; C129-I133 PolarHBondContact O-N 2.94Å; F130-I133 PolarHBondContact O-N 3.08Å; I133-K135 VanDerWaalsContact C-N 3.32Å; I133-K135 PolarHBondContact O-N 2.8Å; I133-L136 PolarHBondContact O-N 2.89Å; I133-L137 HydrophobicContact CG2-CD1 3.87Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.28Å; I133-L137 PolarHBondContact O-N 2.77Å
134D90.1Very high83.8Confident33 Ų3356.2 Ų56.218%0.17626%0.262CS..Hα-helixtrans-62.4-40.9176.4-67.1-30.6000111.6R23 F130 L132 L136 L137 E138R23-D134 IonicContact CZ-OD1 3.98Å; R23-D134 IonicContact CZ-OD2 3.62Å; R23-D134 IonicContact NE-OD1 2.85Å; R23-D134 PolarHBondContact NE-OD1 3.37Å; R23-D134 IonicContact NE-OD2 3.25Å; R23-D134 IonicContact NH2-OD1 2.82Å; R23-D134 PolarHBondContact NH2-OD1 2.66Å; R23-D134 IonicContact NH2-OD2 3.85Å; R23-D134 PolarHBondContact NH2-OD2 2.97Å; F130-D134 VanDerWaalsContact O-CB 3.29Å; F130-D134 WeakPolarHBondContact O-CB 3.46Å; F130-D134 PolarHBondContact O-N 3.31Å; L132-D134 VanDerWaalsContact C-N 3.26Å; L132-D134 PolarHBondContact O-N 3.06Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 2.94Å; D134-L137 CarbonylContact O-C 3.54Å; D134-L137 PolarHBondContact O-N 3.25Å; D134-E138 WeakPolarHBondContact O-CB 3.33Å; D134-E138 WeakPolarHBondContact O-CG 3.41Å; D134-E138 PolarHBondContact O-N 2.96Å
135K86.5Confident83.4Confident35 Ų3549.3 Ų49.315%0.15224%0.237CC..Hα-helixtrans-63.5-38.9175-74.4177.7176-173.70113C131 L132 I133 L137 E138 H141 T211C131-K135 WeakPolarHBondContact O-CG 3.41Å; C131-K135 PolarHBondContact O-N 2.94Å; L132-K135 WeakPolarHBondContact O-CB 3.35Å; L132-K135 PolarHBondContact O-N 3.05Å; L132-K135 VanDerWaalsContact O-N 3.12Å; I133-K135 VanDerWaalsContact C-N 3.32Å; I133-K135 PolarHBondContact O-N 2.8Å; K135-L137 VanDerWaalsContact C-N 3.29Å; K135-L137 PolarHBondContact O-N 2.96Å; K135-E138 PolarHBondContact O-N 3.43Å; K135-H141 PolarHBondContact O-ND1 2.81Å; K135-T211 WeakPolarHBondContact CE-OG1 3.43Å; K135-T211 PolarHBondContact NZ-OG1 3.2Å
136L88Confident82.9Confident25 Ų2547.5 Ų47.513%0.13123%0.227CC..Hα-helixtrans-65.9-32.5174.9-67.5174.1000112.1L96 N99 V100 C103 L132 I133 D134 D147 L204L96-L136 HydrophobicContact CD1-CB 4.03Å; N99-L136 HydrophobicContact CB-CD1 4.07Å; N99-L136 HydrophobicContact CB-CD2 4.36Å; V100-L136 HydrophobicContact CG2-CD1 4.27Å; C103-L136 HydrophobicContact CB-CD1 4.28Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.79Å; I133-L136 PolarHBondContact O-N 2.89Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 2.94Å; L136-D147 HydrophobicContact CD2-CB 4.28Å; L136-D147 WeakPolarHBondContact CD2-OD1 3.48Å; L136-L204 HydrophobicContact CD1-CD2 4.35Å
137L86.9Confident82.3Confident23 Ų2349.3 Ų49.312%0.1224%0.237CC..Hα-helixtrans-79.3-25.6175.9-69.8166000112.8T7 L9 R23 L96 I133 D134 K135 E139T7-L137 HydrophobicContact CG2-CD2 4.03Å; L9-L137 HydrophobicContact CB-CD1 4.22Å; L9-L137 HydrophobicContact CB-CD2 4.11Å; L9-L137 HydrophobicContact CD2-CD1 4.25Å; R23-L137 HydrophobicContact CB-CD1 3.78Å; L96-L137 HydrophobicContact CD1-CD2 4.32Å; L96-L137 HydrophobicContact CD2-CD2 3.77Å; I133-L137 HydrophobicContact CG2-CD1 3.87Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.28Å; I133-L137 PolarHBondContact O-N 2.77Å; D134-L137 CarbonylContact O-C 3.54Å; D134-L137 PolarHBondContact O-N 3.25Å; K135-L137 VanDerWaalsContact C-N 3.29Å; K135-L137 PolarHBondContact O-N 2.96Å; L137-E139 PolarHBondContact O-N 3.09Å; L137-E139 VanDerWaalsContact O-N 3.15Å
138E79.6Confident81.8Confident108 Ų10843.2 Ų43.251%0.50522%0.217SC..  trans-7797.5179.2-82.4179.3-165.800111.9D134 K135 K140 H141D134-E138 WeakPolarHBondContact O-CB 3.33Å; D134-E138 WeakPolarHBondContact O-CG 3.41Å; D134-E138 PolarHBondContact O-N 2.96Å; K135-E138 PolarHBondContact O-N 3.43Å; E138-K140 PolarHBondContact O-N 3.44Å; E138-H141 PolarHBondContact O-ND1 3.1Å; E138-H141 IonicContact OE2-CE1 3.66Å; E138-H141 PolarHBondContact OE2-CE1 3.35Å; E138-H141 IonicContact OE2-ND1 2.94Å; E138-H141 IonicContact OE2-NE2 3.69Å
139E63.9Low81.5Confident82 Ų8240.9 Ų40.938%0.38320%0.201SC..THydrogen-bonded Turntrans-64.5-11.8176.6-50.4-164173.900114.1R92 L137 H141 K338R92-E139 IonicContact CZ-OE1 3.52Å; R92-E139 IonicContact CZ-OE2 3.18Å; R92-E139 IonicContact NH1-OE1 3.69Å; R92-E139 PolarHBondContact NH1-OE1 3.3Å; R92-E139 VanDerWaalsContact NH1-OE1 3.07Å; R92-E139 IonicContact NH1-OE2 3.07Å; R92-E139 PolarHBondContact NH1-OE2 2.84Å; R92-E139 IonicContact NH2-OE1 2.91Å; R92-E139 PolarHBondContact NH2-OE1 3.5Å; R92-E139 IonicContact NH2-OE2 2.81Å; R92-E139 PolarHBondContact NH2-OE2 3.46Å; L137-E139 PolarHBondContact O-N 3.09Å; L137-E139 VanDerWaalsContact O-N 3.15Å; E139-H141 PolarHBondContact O-N 3.1Å; E139-K338 PolarHBondContact O-NZ 3.27Å
140K57.9Low81.1Confident188 Ų18842.6 Ų42.682%0.81721%0.209SC*.THydrogen-bonded Turntrans-87.40.5-169.8-64.4-174.6-179179.30115E138 Q142E138-K140 PolarHBondContact O-N 3.44Å; K140-Q142 PolarHBondContact O-N 3.39Å
141H61.8Low80.9Confident45 Ų4540.5 Ų40.521%0.20820%0.199CC..  trans-60.7108.8175.7-73.888.7000110.4K135 E138 E139 K338K135-H141 PolarHBondContact O-ND1 2.81Å; E138-H141 PolarHBondContact O-ND1 3.1Å; E138-H141 IonicContact OE2-CE1 3.66Å; E138-H141 PolarHBondContact OE2-CE1 3.35Å; E138-H141 IonicContact OE2-ND1 2.94Å; E138-H141 IonicContact OE2-NE2 3.69Å; E139-H141 PolarHBondContact O-N 3.1Å; H141-K338 PolarHBondContact O-NZ 2.91Å
142Q68.4Low80.9Confident92 Ų9237.8 Ų37.843%0.4318%0.182SC..SBendtrans-78.3126.7176.7-68-178.912.200108.8K140 V144 S331 W334K140-Q142 PolarHBondContact O-N 3.39Å; Q142-V144 PolarHBondContact O-N 3.4Å; Q142-S331 VanDerWaalsContact NE2-CB 3.32Å; Q142-S331 PolarHBondContact NE2-OG 3.29Å; Q142-W334 HydrophobicContact CB-CG 4.27Å; Q142-W334 HydrophobicContact CG-CG 4.45Å
143G69.6Low80.9Confident2 Ų237.9 Ų37.92%0.02118%0.182CC..SBendtrans86-13.4171.800000117.7R186 S313 W334G143-R186 PolarHBondContact O-NH1 3.07Å; G143-R186 PolarHBondContact O-NH2 3.23Å; G143-S313 PolarHBondContact O-OG 2.93Å; G143-W334 VanDerWaalsContact CA-CH2 3.46Å
144V81.8Confident80.9Confident23 Ų2337.9 Ų37.914%0.13918%0.182CC..  trans-102.5118.4172.1-178.50000107.7Q142 D153Q142-V144 PolarHBondContact O-N 3.4Å; V144-D153 WeakPolarHBondContact CA-OD2 3.42Å; V144-D153 WeakPolarHBondContact CG1-OD2 2.9Å
145L83.3Confident81Confident5 Ų536.3 Ų36.33%0.02617%0.174CC..  trans-121-0.1-176.7-62.7-179.3000112.2D147 L148 T149 D153 L302 W334 L337 K338L145-D147 VanDerWaalsContact C-N 3.29Å; L145-D147 PolarHBondContact O-N 2.83Å; L145-L148 CarbonylContact O-C 3.58Å; L145-L148 WeakPolarHBondContact O-CA 3.4Å; L145-L148 WeakPolarHBondContact O-CB 3.48Å; L145-L148 PolarHBondContact O-N 3.18Å; L145-T149 HydrophobicContact CB-CG2 4.12Å; L145-T149 PolarHBondContact O-N 3.11Å; L145-T149 PolarHBondContact O-OG1 3.21Å; L145-T149 VanDerWaalsContact O-OG1 3.14Å; L145-D153 PolarHBondContact N-OD1 3.31Å; L145-D153 PolarHBondContact N-OD2 3.39Å; L145-L302 HydrophobicContact CD1-CD1 4.08Å; L145-L302 HydrophobicContact CD1-CD2 4.06Å; L145-L302 HydrophobicContact CD1-CG 4.46Å; L145-W334 HydrophobicContact CD1-CE3 4.35Å; L145-W334 HydrophobicContact CD1-CZ3 3.91Å; L145-W334 HydrophobicContact CG-CZ3 4.33Å; L145-L337 HydrophobicContact CD1-CD2 4.26Å; L145-K338 HydrophobicContact CD2-CD 4Å; L145-K338 HydrophobicContact CD2-CG 3.49Å; L145-K338 VanDerWaalsContact CD2-CG 3.49Å
146G82.8Confident81.2Confident2 Ų235.2 Ų35.22%0.02117%0.17CC..Hα-helixtrans-57.1-37-175.900000114.5L148 T149 H150 C151 D153G146-L148 PolarHBondContact O-N 3.16Å; G146-T149 WeakPolarHBondContact CA-OG1 3.3Å; G146-T149 PolarHBondContact O-N 3.46Å; G146-H150 VanDerWaalsContact O-CA 3.28Å; G146-H150 WeakPolarHBondContact O-CA 3.33Å; G146-H150 PolarHBondContact O-N 3.41Å; G146-C151 WeakPolarHBondContact CA-O 3.47Å; G146-D153 PolarHBondContact N-OD2 3.3Å
147D82.1Confident81.2Confident39 Ų3934.4 Ų34.421%0.20917%0.166CC..Hα-helixtrans-63.4-26.2176.5-57.7-42.5000112.4L136 L145 V203L136-D147 HydrophobicContact CD2-CB 4.28Å; L136-D147 WeakPolarHBondContact CD2-OD1 3.48Å; L145-D147 VanDerWaalsContact C-N 3.29Å; L145-D147 PolarHBondContact O-N 2.83Å; D147-V203 WeakPolarHBondContact OD1-CG1 3.38Å
148L83.3Confident81.1Confident40 Ų4036.1 Ų36.121%0.20918%0.178CC..Hα-helixtrans-94.8-35.9-179.9177.363.5000112.4L145 G146 K338 Y341 I342L145-L148 CarbonylContact O-C 3.58Å; L145-L148 WeakPolarHBondContact O-CA 3.4Å; L145-L148 WeakPolarHBondContact O-CB 3.48Å; L145-L148 PolarHBondContact O-N 3.18Å; G146-L148 PolarHBondContact O-N 3.16Å; L148-K338 HydrophobicContact CD2-CB 4.28Å; L148-K338 HydrophobicContact CD2-CG 4.16Å; L148-Y341 HydrophobicContact CD1-CD1 4.15Å; L148-Y341 HydrophobicContact CD1-CE1 4.01Å; L148-Y341 HydrophobicContact CD2-CD1 3.64Å; L148-Y341 HydrophobicContact CD2-CE1 4.13Å; L148-Y341 HydrophobicContact CG-CD1 3.64Å; L148-Y341 HydrophobicContact CG-CE1 3.58Å; L148-Y341 PolarHBondContact O-OH 3.1Å; L148-I342 HydrophobicContact CD1-CD1 4.18Å; L148-I342 HydrophobicContact CD1-CG1 3.84Å; L148-I342 HydrophobicContact CD2-CD1 4.39Å; L148-I342 HydrophobicContact CD2-CG1 4.22Å
149T85.9Confident81.4Confident4 Ų436 Ų363%0.02518%0.181CC..Hα-helixtrans-92.1-13-176.761.30000113.7L145 G146 C151 L302 I304 Y341L145-T149 HydrophobicContact CB-CG2 4.12Å; L145-T149 PolarHBondContact O-N 3.11Å; L145-T149 PolarHBondContact O-OG1 3.21Å; L145-T149 VanDerWaalsContact O-OG1 3.14Å; G146-T149 WeakPolarHBondContact CA-OG1 3.3Å; G146-T149 PolarHBondContact O-N 3.46Å; T149-C151 PolarHBondContact O-N 3.07Å; T149-C151 VanDerWaalsContact O-N 3.14Å; T149-C151 PolarHBondContact O-SG 2.58Å; T149-C151 PolarHBondContact OG1-N 3.29Å; T149-L302 HydrophobicContact CG2-CD1 4.44Å; T149-L302 HydrophobicContact CG2-CD2 3.96Å; T149-I304 HydrophobicContact CG2-CD1 3.81Å; T149-Y341 WeakPolarHBondContact CA-OH 3.27Å; T149-Y341 HydrophobicContact CG2-CE1 4.34Å; T149-Y341 HydrophobicContact CG2-CE2 4.02Å
150H84.2Confident82.6Confident36 Ų3635 Ų3517%0.16718%0.182CC..SBendtrans49.830.8-166.1-68.4-86.4000112.6G146 P199G146-H150 VanDerWaalsContact O-CA 3.28Å; G146-H150 WeakPolarHBondContact O-CA 3.33Å; G146-H150 PolarHBondContact O-N 3.41Å; H150-P199 WeakPolarHBondContact O-CB 3.48Å
151C88.6Confident84.3Confident2 Ų230.7 Ų30.71%0.01417%0.172CC..SBendtrans-122146.7178.7-65.40000109.7G146 T149 D153 I304 R309G146-C151 WeakPolarHBondContact CA-O 3.47Å; T149-C151 PolarHBondContact O-N 3.07Å; T149-C151 VanDerWaalsContact O-N 3.14Å; T149-C151 PolarHBondContact O-SG 2.58Å; T149-C151 PolarHBondContact OG1-N 3.29Å; C151-D153 PolarHBondContact O-N 3.14Å; C151-I304 HydrophobicContact CB-CG2 4.41Å; C151-I304 VanDerWaalsContact SG-CG2 3.51Å; C151-R309 CarbonylContact C-O 3.51Å; C151-R309 VanDerWaalsContact CA-O 3.23Å; C151-R309 WeakPolarHBondContact CA-O 3.39Å; C151-R309 WeakPolarHBondContact CB-O 3.31Å
152A89.8Confident85.8Confident3 Ų330.3 Ų30.33%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-70.6113.6178.400000110.5S154 I187 W195 V202 R309 S311A152-S154 PolarHBondContact O-N 2.69Å; A152-S154 VanDerWaalsContact O-N 3.08Å; A152-S154 PolarHBondContact O-OG 3.48Å; A152-S154 VanDerWaalsContact O-OG 3.05Å; A152-I187 HydrophobicContact CB-CD1 4.19Å; A152-W195 HydrophobicContact CB-CZ3 3.93Å; A152-V202 HydrophobicContact CB-CG1 3.6Å; A152-R309 PolarHBondContact N-O 3.2Å; A152-S311 PolarHBondContact O-N 3.08Å
153D91.4Very high87.1Confident8 Ų826 Ų264%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-61.6115.8174.4-74.2-48000110.1V144 L145 G146 C151 R186 I187 S311V144-D153 WeakPolarHBondContact CA-OD2 3.42Å; V144-D153 WeakPolarHBondContact CG1-OD2 2.9Å; L145-D153 PolarHBondContact N-OD1 3.31Å; L145-D153 PolarHBondContact N-OD2 3.39Å; G146-D153 PolarHBondContact N-OD2 3.3Å; C151-D153 PolarHBondContact O-N 3.14Å; D153-R186 HydrophobicContact CB-CG 4.33Å; D153-R186 CarbonylContact O-C 3.53Å; D153-R186 WeakPolarHBondContact O-CA 3.32Å; D153-R186 WeakPolarHBondContact O-CB 3.39Å; D153-I187 PolarHBondContact O-N 3.37Å; D153-S311 PolarHBondContact OD1-OG 3.15Å
154S92.5Very high88.4Confident0 Ų028.4 Ų28.40%016%0.164CC..BIsolated β-bridgetrans-112.4152.8-172.5-63.60000111.2A152 I187 R310 S311A152-S154 PolarHBondContact O-N 2.69Å; A152-S154 VanDerWaalsContact O-N 3.08Å; A152-S154 PolarHBondContact O-OG 3.48Å; A152-S154 VanDerWaalsContact O-OG 3.05Å; S154-I187 CarbonylContact C-O 3.57Å; S154-I187 WeakPolarHBondContact CA-O 3.23Å; S154-R310 PolarHBondContact OG-NE 3.42Å; S154-S311 WeakPolarHBondContact CB-O 3.25Å; S154-S311 PolarHBondContact N-O 3.29Å
155L91.8Very high89Confident0 Ų034 Ų340%019%0.189CC..  trans-117.6128.5166.9177.5150.6000107.7P157 V183 R186 I187 V188 V283L155-P157 VanDerWaalsContact O-CD 3.3Å; L155-P157 WeakPolarHBondContact O-CD 3.23Å; L155-V183 HydrophobicContact CD1-CB 4.48Å; L155-V183 HydrophobicContact CD1-CG1 4.14Å; L155-R186 HydrophobicContact CB-CB 4.23Å; L155-I187 PolarHBondContact N-O 2.87Å; L155-V188 HydrophobicContact CB-CG2 4.3Å; L155-V188 HydrophobicContact CD2-CG1 4.4Å; L155-V188 HydrophobicContact CD2-CG2 4.04Å; L155-V188 WeakPolarHBondContact O-CA 3.41Å; L155-V283 HydrophobicContact CD1-CB 4.24Å; L155-V283 HydrophobicContact CD1-CG1 4.07Å; L155-V283 HydrophobicContact CD2-CB 4.27Å; L155-V283 HydrophobicContact CD2-CG1 4.22Å; L155-V283 HydrophobicContact CG-CB 4.48Å; L155-V283 HydrophobicContact CG-CG1 4.05Å
156V90.8Very high89.7Confident12 Ų1234.2 Ų34.27%0.07319%0.191CC..  trans-86.1113.1178.3-176.90000108.9C287 L288 P289 V312 T429 F431V156-C287 PolarHBondContact N-O 3.22Å; V156-L288 HydrophobicContact CG2-CD2 4.29Å; V156-P289 HydrophobicContact CG1-CG 4.4Å; V156-V312 HydrophobicContact CG2-CG2 3.84Å; V156-T429 HydrophobicContact CB-CG2 4.5Å; V156-T429 HydrophobicContact CG1-CG2 3.73Å; V156-F431 HydrophobicContact CG2-CD2 3.97Å
157P88.8Confident90.4Very high8 Ų834.1 Ų34.15%0.05219%0.19CC..  trans-75.2154.2177.633.5-35.7000110.6L155 N159 P160 L163 V188 C280L155-P157 VanDerWaalsContact O-CD 3.3Å; L155-P157 WeakPolarHBondContact O-CD 3.23Å; P157-N159 VanDerWaalsContact C-N 3.29Å; P157-N159 PolarHBondContact O-N 2.94Å; P157-P160 HydrophobicContact CG-CB 3.75Å; P157-L163 HydrophobicContact CB-CD1 3.9Å; P157-L163 HydrophobicContact CG-CD1 4.28Å; P157-V188 HydrophobicContact CB-CG1 3.66Å; P157-V188 HydrophobicContact CG-CG1 3.59Å; P157-C280 VanDerWaalsContact CB-SG 3.59Å
158P85.1Confident91.1Very high59 Ų5935.3 Ų35.338%0.38320%0.196SC..SBendtrans-60.6-37.5173.8-22.332.8000113.1V283 P289P158-V283 HydrophobicContact CG-CG2 4.14Å; P158-P289 HydrophobicContact CB-CB 4.3Å; P158-P289 HydrophobicContact CG-CB 4.12Å
159N85.4Confident91.7Very high105 Ų10534.3 Ų34.356%0.56120%0.195SC*.  trans-130.793.5179.2-73.4-26.5000109.7P157 P162P157-N159 VanDerWaalsContact C-N 3.29Å; P157-N159 PolarHBondContact O-N 2.94Å; N159-P162 HydrophobicContact CB-CG 4.5Å
160P89.1Confident92.2Very high63 Ų6334.1 Ų34.141%0.40919%0.194SC..  trans-75-31.5-177.125.9-32.3000113.9P157 L163 Q164 V189P157-P160 HydrophobicContact CG-CB 3.75Å; P160-L163 PolarHBondContact O-N 2.82Å; P160-Q164 PolarHBondContact O-N 3.37Å; P160-V189 HydrophobicContact CB-CG1 4.43Å
161T93.4Very high92.8Very high97 Ų9732.4 Ų32.460%0.59519%0.187SC*.Hα-helixtrans-57.6-51.9-170.148.10000115L163 Q164 E165T161-L163 VanDerWaalsContact C-N 3.26Å; T161-L163 PolarHBondContact O-N 3.45Å; T161-Q164 PolarHBondContact O-N 3.31Å; T161-E165 WeakPolarHBondContact O-CG 3.43Å; T161-E165 PolarHBondContact O-N 3.22Å
162P94.6Very high93.1Very high37 Ų3739.8 Ų39.824%0.2422%0.221CC..Hα-helixtrans-66.9-29.6-179.727.8-37.1000112.7N159 A166 L273 T276N159-P162 HydrophobicContact CB-CG 4.5Å; P162-A166 WeakPolarHBondContact O-CB 3.3Å; P162-A166 PolarHBondContact O-N 3.3Å; P162-A166 VanDerWaalsContact O-N 3.12Å; P162-L273 HydrophobicContact CB-CD2 3.96Å; P162-L273 WeakPolarHBondContact O-CD1 3.5Å; P162-T276 HydrophobicContact CG-CG2 4.35Å
163L94.7Very high93.3Very high0 Ų041.8 Ų41.80%024%0.237CC..Hα-helixtrans-71.7-40.8177.2-62.6172000110.8P157 P160 T161 A166 V167 L181 V188 V189 W270 L273 T276 L277 C280P157-L163 HydrophobicContact CB-CD1 3.9Å; P157-L163 HydrophobicContact CG-CD1 4.28Å; P160-L163 PolarHBondContact O-N 2.82Å; T161-L163 VanDerWaalsContact C-N 3.26Å; T161-L163 PolarHBondContact O-N 3.45Å; L163-A166 PolarHBondContact O-N 3.47Å; L163-V167 WeakPolarHBondContact O-CG2 3.3Å; L163-V167 PolarHBondContact O-N 3.06Å; L163-L181 HydrophobicContact CB-CD2 4.45Å; L163-L181 HydrophobicContact CD1-CD2 4.34Å; L163-L181 HydrophobicContact CD2-CD2 4.02Å; L163-V188 HydrophobicContact CD1-CG1 4.1Å; L163-V189 HydrophobicContact CB-CG1 4.26Å; L163-V189 HydrophobicContact CB-CG2 3.72Å; L163-W270 HydrophobicContact CD2-CZ3 4.4Å; L163-L273 HydrophobicContact CD2-CD1 4.41Å; L163-T276 HydrophobicContact CD1-CG2 4.09Å; L163-T276 HydrophobicContact CD2-CG2 3.85Å; L163-T276 HydrophobicContact CG-CG2 3.87Å; L163-L277 HydrophobicContact CD2-CD2 4.02Å; L163-C280 VanDerWaalsContact CD1-SG 3.53Å
164Q96Very high93.4Very high53 Ų5341.5 Ų41.525%0.24824%0.236CC..Hα-helixtrans-62.3-49.3176.8-174.162.252.400110.8P160 T161 A166 V167 D168 V189 A190P160-Q164 PolarHBondContact O-N 3.37Å; T161-Q164 PolarHBondContact O-N 3.31Å; Q164-A166 VanDerWaalsContact C-N 3.27Å; Q164-A166 PolarHBondContact O-N 2.91Å; Q164-V167 PolarHBondContact O-N 2.86Å; Q164-V167 VanDerWaalsContact O-N 3.13Å; Q164-D168 PolarHBondContact NE2-OD1 2.86Å; Q164-D168 PolarHBondContact NE2-OD2 3.33Å; Q164-D168 PolarHBondContact O-N 3.26Å; Q164-V189 HydrophobicContact CB-CG1 4.39Å; Q164-A190 PolarHBondContact NE2-O 2.77Å; Q164-A190 PolarHBondContact OE1-O 3.31Å
165E96.4Very high93.5Very high142 Ų14247.6 Ų47.666%0.66427%0.268SS*.Hα-helixtrans-57.6-39.7176.2-70.8174.9-174.300112.3T161 G169T161-E165 WeakPolarHBondContact O-CG 3.43Å; T161-E165 PolarHBondContact O-N 3.22Å; E165-G169 PolarHBondContact O-N 2.98Å
166A96.4Very high93.6Very high9 Ų948.2 Ų48.27%0.07427%0.273CS..Hα-helixtrans-69-39.3176.500000113P162 L163 Q164 F170 W270 L273P162-A166 WeakPolarHBondContact O-CB 3.3Å; P162-A166 PolarHBondContact O-N 3.3Å; P162-A166 VanDerWaalsContact O-N 3.12Å; L163-A166 PolarHBondContact O-N 3.47Å; Q164-A166 VanDerWaalsContact C-N 3.27Å; Q164-A166 PolarHBondContact O-N 2.91Å; A166-F170 WeakPolarHBondContact O-CB 3.46Å; A166-F170 PolarHBondContact O-N 2.89Å; A166-W270 HydrophobicContact CB-CH2 4.28Å; A166-W270 HydrophobicContact CB-CZ3 4.25Å; A166-L273 HydrophobicContact CB-CD1 3.37Å
167V97.1Very high93.8Very high0 Ų053 Ų530%029%0.294CS..Hα-helixtrans-64.3-46.8174.9168.50000110.9L163 Q164 F170 A171 G179 L181 V189 T191 W270L163-V167 WeakPolarHBondContact O-CG2 3.3Å; L163-V167 PolarHBondContact O-N 3.06Å; Q164-V167 PolarHBondContact O-N 2.86Å; Q164-V167 VanDerWaalsContact O-N 3.13Å; V167-F170 PolarHBondContact O-N 2.85Å; V167-A171 WeakPolarHBondContact O-CB 3.33Å; V167-A171 PolarHBondContact O-N 2.8Å; V167-G179 WeakPolarHBondContact CG1-O 3.32Å; V167-L181 HydrophobicContact CG2-CB 3.92Å; V167-V189 HydrophobicContact CG2-CG2 3.68Å; V167-T191 HydrophobicContact CG1-CG2 3.93Å; V167-W270 HydrophobicContact CG2-CH2 3.65Å; V167-W270 HydrophobicContact CG2-CZ2 4.11Å
168D97.1Very high94.1Very high64 Ų6455.1 Ų55.134%0.34230%0.303SS..Hα-helixtrans-64-45.6-179.2-66-31.7000110.7Q164 A171 Q172 T191Q164-D168 PolarHBondContact NE2-OD1 2.86Å; Q164-D168 PolarHBondContact NE2-OD2 3.33Å; Q164-D168 PolarHBondContact O-N 3.26Å; D168-A171 PolarHBondContact O-N 3.1Å; D168-Q172 WeakPolarHBondContact O-CB 3.3Å; D168-Q172 PolarHBondContact O-N 3.18Å; D168-T191 WeakPolarHBondContact OD1-CG2 3.36Å
169G96.3Very high94.7Very high18 Ų1852.3 Ų52.319%0.18629%0.285CS..Hα-helixtrans-64.8-39175.800000113.4E165 A173 F269E165-G169 PolarHBondContact O-N 2.98Å; G169-A173 VanDerWaalsContact O-CB 3.25Å; G169-A173 WeakPolarHBondContact O-CB 3.23Å; G169-A173 PolarHBondContact O-N 2.9Å; G169-F269 VanDerWaalsContact C-CE1 3.46Å; G169-F269 WeakPolarHBondContact O-CZ 3.47Å
170F96.5Very high95.2Very high0 Ų047.3 Ų47.30%026%0.258CS..Hα-helixtrans-66.8-45.7177.1177.9-98000111.7A166 V167 A173 A174 F240 V248 V250 L265 V266 F269 W270A166-F170 WeakPolarHBondContact O-CB 3.46Å; A166-F170 PolarHBondContact O-N 2.89Å; V167-F170 PolarHBondContact O-N 2.85Å; F170-A173 PolarHBondContact O-N 3.24Å; F170-A174 WeakPolarHBondContact O-CB 3.23Å; F170-A174 PolarHBondContact O-N 3.13Å; F170-F240 AromaticContact CZ-CD2 3.98Å; F170-F240 HydrophobicContact CZ-CD2 3.98Å; F170-F240 HydrophobicContact CZ-CE2 4.01Å; F170-V248 HydrophobicContact CD1-CG2 3.77Å; F170-V248 HydrophobicContact CE1-CG1 4.31Å; F170-V248 HydrophobicContact CE1-CG2 3.71Å; F170-V248 HydrophobicContact CZ-CG1 4.25Å; F170-V248 HydrophobicContact CZ-CG2 4.43Å; F170-V250 HydrophobicContact CE1-CB 4.15Å; F170-V250 HydrophobicContact CE1-CG1 4.08Å; F170-L265 HydrophobicContact CD2-CB 4.03Å; F170-L265 HydrophobicContact CE2-CB 3.69Å; F170-V266 HydrophobicContact CE2-CG2 4.13Å; F170-V266 HydrophobicContact CZ-CG2 4.44Å; F170-F269 HydrophobicContact CB-CB 4.41Å; F170-F269 HydrophobicContact CB-CD2 4.35Å; F170-F269 HydrophobicContact CB-CG 4.2Å; F170-F269 HydrophobicContact CD2-CB 4.41Å; F170-F269 HydrophobicContact CD2-CD2 4.09Å; F170-F269 HydrophobicContact CD2-CG 4.46Å; F170-W270 AromaticContact CD2-NE1 3.64Å; F170-W270 AromaticContact CG-NE1 3.88Å
171A96.4Very high95.6Very high1 Ų144.3 Ų44.31%0.00824%0.238CC..Hα-helixtrans-60.3-48.8176.500000110.7V167 D168 A173 A174 D175 S176 T191V167-A171 WeakPolarHBondContact O-CB 3.33Å; V167-A171 PolarHBondContact O-N 2.8Å; D168-A171 PolarHBondContact O-N 3.1Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A171-A173 PolarHBondContact O-N 3.41Å; A171-A174 CarbonylContact O-C 3.52Å; A171-A174 WeakPolarHBondContact O-CA 3.48Å; A171-A174 PolarHBondContact O-N 2.77Å; A171-D175 PolarHBondContact O-N 3.46Å; A171-S176 CarbonylContact C-O 3.02Å; A171-S176 WeakPolarHBondContact CB-O 3.21Å; A171-S176 PolarHBondContact O-N 3.01Å; A171-T191 HydrophobicContact CB-CG2 3.77Å
172Q95.8Very high95.6Very high157 Ų15739.7 Ų39.773%0.73421%0.21SC*.Hα-helixtrans-60.3-42.7178.1-171.7-179.321.100112.1D168 A174 D175 S176D168-Q172 WeakPolarHBondContact O-CB 3.3Å; D168-Q172 PolarHBondContact O-N 3.18Å; Q172-A174 PolarHBondContact O-N 3.13Å; Q172-D175 PolarHBondContact O-N 3.03Å; Q172-S176 PolarHBondContact N-O 3.34Å
173A94.4Very high95.5Very high45 Ų4537.9 Ų37.937%0.37220%0.199SC..Hα-helixtrans-69.1-24.1177.300000113.2G169 F170 A171 D175 L265 F269G169-A173 VanDerWaalsContact O-CB 3.25Å; G169-A173 WeakPolarHBondContact O-CB 3.23Å; G169-A173 PolarHBondContact O-N 2.9Å; F170-A173 PolarHBondContact O-N 3.24Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A171-A173 PolarHBondContact O-N 3.41Å; A173-D175 VanDerWaalsContact C-N 3.25Å; A173-L265 HydrophobicContact CB-CD1 4.47Å; A173-L265 HydrophobicContact CB-CD2 3.83Å; A173-F269 HydrophobicContact CB-CE2 3.62Å; A173-F269 HydrophobicContact CB-CZ 3.75Å
174A93.9Very high95.1Very high1 Ų142.2 Ų42.21%0.00822%0.218CC..THydrogen-bonded Turntrans-87.314.9170.700000113F170 A171 Q172 S176 V250 P256 L265F170-A174 WeakPolarHBondContact O-CB 3.23Å; F170-A174 PolarHBondContact O-N 3.13Å; A171-A174 CarbonylContact O-C 3.52Å; A171-A174 WeakPolarHBondContact O-CA 3.48Å; A171-A174 PolarHBondContact O-N 2.77Å; Q172-A174 PolarHBondContact O-N 3.13Å; A174-S176 PolarHBondContact O-N 3.45Å; A174-V250 HydrophobicContact CB-CG1 4.39Å; A174-V250 HydrophobicContact CB-CG2 4.15Å; A174-P256 HydrophobicContact CB-CG 4.1Å; A174-P256 WeakPolarHBondContact O-CD 3.42Å; A174-L265 HydrophobicContact CB-CD1 3.95Å
175D92.9Very high94.7Very high128 Ų12840.3 Ų40.368%0.68421%0.213SC*.THydrogen-bonded Turntrans52.640179.4-161.532.2000112.6A171 Q172 A173A171-D175 PolarHBondContact O-N 3.46Å; Q172-D175 PolarHBondContact O-N 3.03Å; A173-D175 VanDerWaalsContact C-N 3.25Å
176S94.8Very high94.4Very high14 Ų1434.2 Ų34.210%0.09818%0.184CC..  trans-136149-178.8172.80000110.9A171 Q172 A174 F178 V250 L251A171-S176 CarbonylContact C-O 3.02Å; A171-S176 WeakPolarHBondContact CB-O 3.21Å; A171-S176 PolarHBondContact O-N 3.01Å; Q172-S176 PolarHBondContact N-O 3.34Å; A174-S176 PolarHBondContact O-N 3.45Å; S176-F178 PolarHBondContact OG-N 3.2Å; S176-V250 VanDerWaalsContact CB-CG2 3.43Å; S176-V250 WeakPolarHBondContact OG-CG2 3.23Å; S176-L251 WeakPolarHBondContact CB-O 3.18Å; S176-L251 PolarHBondContact OG-O 3.48Å
177E94.3Very high94.3Very high111 Ų11133.8 Ų33.852%0.51918%0.181SC..SBendtrans-94.6-4.5171.1-48.6-173122.500112.8T191 K193E177-T191 VanDerWaalsContact O-CB 3.29Å; E177-T191 WeakPolarHBondContact O-CB 3.3Å; E177-T191 PolarHBondContact O-OG1 3.31Å; E177-K193 HydrophobicContact CB-CB 4.18Å; E177-K193 HydrophobicContact CB-CG 3.84Å; E177-K193 IonicContact OE1-NZ 3.09Å; E177-K193 PolarHBondContact OE1-NZ 2.83Å; E177-K193 IonicContact OE2-NZ 3.73Å; E177-K193 PolarHBondContact OE2-NZ 3.46Å
178F96Very high94.2Very high53 Ų5333.9 Ų33.923%0.23218%0.181CC..EExtended strand (participates in β ladder)trans-117.190.4-169.6-63.3-82.6000110.8S176 K193 W194 L197 V250 L251S176-F178 PolarHBondContact OG-N 3.2Å; F178-K193 HydrophobicContact CD1-CB 3.94Å; F178-K193 HydrophobicContact CE1-CB 3.74Å; F178-K193 WeakPolarHBondContact CE1-O 3.38Å; F178-K193 HydrophobicContact CZ-CB 4.24Å; F178-W194 HydrophobicContact CB-CE3 4.12Å; F178-L197 HydrophobicContact CD1-CD1 4.27Å; F178-L197 HydrophobicContact CD1-CD2 4.18Å; F178-L197 HydrophobicContact CD1-CG 4.27Å; F178-L197 HydrophobicContact CE1-CD2 3.67Å; F178-L197 HydrophobicContact CE1-CG 4.1Å; F178-L197 HydrophobicContact CZ-CD2 4.48Å; F178-V250 CarbonylContact O-C 3.59Å; F178-V250 VanDerWaalsContact O-CA 3.29Å; F178-V250 WeakPolarHBondContact O-CA 3.27Å; F178-V250 WeakPolarHBondContact O-CG2 3.48Å; F178-L251 HydrophobicContact CB-CB 3.78Å; F178-L251 HydrophobicContact CB-CD1 4.31Å; F178-L251 HydrophobicContact CB-CG 4.48Å; F178-L251 HydrophobicContact CG-CB 4.45Å; F178-L251 PolarHBondContact O-N 2.98Å
179G96.8Very high94.1Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-124.1149.2174.300000112.7V167 A190 T191 C249V167-G179 WeakPolarHBondContact CG1-O 3.32Å; G179-A190 CarbonylContact O-C 3.55Å; G179-A190 WeakPolarHBondContact O-CA 3.44Å; G179-A190 WeakPolarHBondContact O-CB 3.4Å; G179-T191 PolarHBondContact N-OG1 2.8Å; G179-T191 PolarHBondContact O-N 3.01Å; G179-T191 PolarHBondContact O-OG1 2.84Å; G179-T191 VanDerWaalsContact O-OG1 3.1Å; G179-C249 WeakPolarHBondContact CA-O 3.07Å
180C96.9Very high94.1Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-151.8149.2174.862.20000112.7F182 A190 W194 C249C180-F182 HydrophobicContact CB-CE2 4.41Å; C180-F182 WeakPolarHBondContact SG-CE2 3.21Å; C180-A190 HydrophobicContact CB-CB 3.61Å; C180-W194 HydrophobicContact CB-CD2 3.84Å; C180-W194 HydrophobicContact CB-CE3 4.13Å; C180-W194 HydrophobicContact CB-CG 4.24Å; C180-W194 HydrophobicContact CB-CH2 4.49Å; C180-W194 HydrophobicContact CB-CZ2 4.21Å; C180-W194 HydrophobicContact CB-CZ3 4.42Å; C180-W194 WeakPolarHBondContact SG-CH2 3.44Å; C180-W194 WeakPolarHBondContact SG-CZ2 3.49Å; C180-W194 VanDerWaalsContact SG-CZ3 3.58Å; C180-C249 PolarHBondContact N-O 2.9Å; C180-C249 PolarHBondContact O-N 2.74Å
181L96.7Very high94.1Very high0 Ų030.6 Ų30.60%016%0.16CC..EExtended strand (participates in β ladder)trans-105.7128.9172.7178.968.2000110L163 V167 V188 V189 L242 W270 L277L163-L181 HydrophobicContact CB-CD2 4.45Å; L163-L181 HydrophobicContact CD1-CD2 4.34Å; L163-L181 HydrophobicContact CD2-CD2 4.02Å; V167-L181 HydrophobicContact CG2-CB 3.92Å; L181-V188 HydrophobicContact CD2-CB 4.19Å; L181-V188 HydrophobicContact CD2-CG1 4.4Å; L181-V188 HydrophobicContact CG-CB 4.36Å; L181-V188 PolarHBondContact O-N 3.33Å; L181-V189 HydrophobicContact CB-CG2 3.77Å; L181-V189 HydrophobicContact CD2-CG2 3.98Å; L181-V189 PolarHBondContact N-O 2.86Å; L181-L242 HydrophobicContact CD1-CD1 3.87Å; L181-W270 HydrophobicContact CB-CH2 4.32Å; L181-W270 HydrophobicContact CD1-CH2 3.95Å; L181-W270 HydrophobicContact CD1-CZ3 3.99Å; L181-W270 HydrophobicContact CD2-CH2 4.25Å; L181-W270 HydrophobicContact CD2-CZ3 4.07Å; L181-W270 HydrophobicContact CG-CH2 4.4Å; L181-L277 HydrophobicContact CD1-CD2 4.09Å; L181-L277 HydrophobicContact CD2-CD2 3.88Å
182F94.1Very high94Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-108137.7175-71.4-85.4000111.7C180 R186 I187 W194 C206 V209 A246 D247 C249C180-F182 HydrophobicContact CB-CE2 4.41Å; C180-F182 WeakPolarHBondContact SG-CE2 3.21Å; F182-R186 CarbonylContact C-O 3.58Å; F182-R186 WeakPolarHBondContact CA-O 3.15Å; F182-I187 HydrophobicContact CD1-CG1 3.99Å; F182-I187 HydrophobicContact CE1-CD1 4.23Å; F182-I187 HydrophobicContact CE1-CG1 3.41Å; F182-I187 VanDerWaalsContact CE1-CG1 3.41Å; F182-I187 HydrophobicContact CZ-CD1 4.34Å; F182-I187 HydrophobicContact CZ-CG1 3.9Å; F182-W194 HydrophobicContact CZ-CZ2 4.39Å; F182-C206 HydrophobicContact CE1-CB 4.1Å; F182-C206 VanDerWaalsContact CE1-SG 3.54Å; F182-V209 HydrophobicContact CD2-CG1 3.9Å; F182-V209 HydrophobicContact CD2-CG2 4.42Å; F182-V209 HydrophobicContact CE2-CB 4.26Å; F182-V209 HydrophobicContact CE2-CG1 4.12Å; F182-V209 HydrophobicContact CE2-CG2 3.83Å; F182-V209 HydrophobicContact CG-CG1 4.12Å; F182-V209 HydrophobicContact CZ-CB 4.4Å; F182-V209 HydrophobicContact CZ-CG2 4.16Å; F182-A246 CarbonylContact O-C 3.51Å; F182-A246 VanDerWaalsContact O-CA 3.31Å; F182-A246 WeakPolarHBondContact O-CA 3.44Å; F182-D247 HydrophobicContact CB-CB 4.26Å; F182-D247 PolarHBondContact N-O 2.83Å; F182-D247 PolarHBondContact O-N 2.89Å; F182-C249 HydrophobicContact CD2-CB 4.4Å; F182-C249 HydrophobicContact CE2-CB 4.14Å
183V92Very high93.9Very high0 Ų032.3 Ų32.30%017%0.167CC..EExtended strand (participates in β ladder)trans-132.9129.2168.3173.70000108.8L155 G185 R186 V188 G245 A246 C280 L281L155-V183 HydrophobicContact CD1-CB 4.48Å; L155-V183 HydrophobicContact CD1-CG1 4.14Å; V183-G185 PolarHBondContact O-N 2.84Å; V183-G185 VanDerWaalsContact O-N 3.1Å; V183-R186 PolarHBondContact N-O 3.27Å; V183-R186 PolarHBondContact O-N 2.92Å; V183-V188 HydrophobicContact CB-CG2 3.56Å; V183-V188 HydrophobicContact CG2-CG2 3.48Å; V183-V188 VanDerWaalsContact CG2-CG2 3.48Å; V183-G245 CarbonylContact C-O 3Å; V183-G245 VanDerWaalsContact CA-O 3.31Å; V183-G245 WeakPolarHBondContact CA-O 3.33Å; V183-A246 HydrophobicContact CG2-CB 4.08Å; V183-C280 HydrophobicContact CG2-CB 4.26Å; V183-L281 HydrophobicContact CG1-CD2 3.87Å; V183-L281 HydrophobicContact CG1-CG 4.32Å
184H87.4Confident94Very high90 Ų9030.1 Ų30.142%0.41715%0.149SC..THydrogen-bonded Turntrans49.934.7-175.1-60.1-53.6000113.2R186 G245 L281H184-R186 VanDerWaalsContact C-N 3.34Å; H184-R186 PolarHBondContact O-N 2.94Å; H184-G245 PolarHBondContact N-O 3.39Å; H184-L281 PolarHBondContact NE2-O 3.18Å; H184-L281 VanDerWaalsContact NE2-O 3.12Å
185G86.2Confident93.9Very high14 Ų1433.1 Ų33.114%0.14416%0.16CC..THydrogen-bonded Turntrans75.814.4-179.300000115.7V183V183-G185 PolarHBondContact O-N 2.84Å; V183-G185 VanDerWaalsContact O-N 3.1Å
186R91.1Very high93.9Very high14 Ų1434.6 Ų34.65%0.05316%0.156CC..EExtended strand (participates in β ladder)trans-119.2151.1177.5-58.3-175.5-173-144.99.8111.2G143 D153 L155 F182 V183 H184 C287 S313G143-R186 PolarHBondContact O-NH1 3.07Å; G143-R186 PolarHBondContact O-NH2 3.23Å; D153-R186 HydrophobicContact CB-CG 4.33Å; D153-R186 CarbonylContact O-C 3.53Å; D153-R186 WeakPolarHBondContact O-CA 3.32Å; D153-R186 WeakPolarHBondContact O-CB 3.39Å; L155-R186 HydrophobicContact CB-CB 4.23Å; F182-R186 CarbonylContact C-O 3.58Å; F182-R186 WeakPolarHBondContact CA-O 3.15Å; V183-R186 PolarHBondContact N-O 3.27Å; V183-R186 PolarHBondContact O-N 2.92Å; H184-R186 VanDerWaalsContact C-N 3.34Å; H184-R186 PolarHBondContact O-N 2.94Å; R186-C287 VanDerWaalsContact CD-SG 3.55Å; R186-C287 PolarHBondContact NE-SG 2.89Å; R186-C287 PolarHBondContact NH1-SG 3.33Å; R186-S313 PolarHBondContact NH1-O 2.9Å; R186-S313 VanDerWaalsContact NH1-O 3.1Å; R186-S313 PolarHBondContact NH1-OG 3.42Å
187I94.3Very high93.8Very high0 Ų034.8 Ų34.80%016%0.156CC..EExtended strand (participates in β ladder)trans-78.3125.8179.7-57.8179.7000110A152 D153 S154 L155 F182 A190 W195 V202A152-I187 HydrophobicContact CB-CD1 4.19Å; D153-I187 PolarHBondContact O-N 3.37Å; S154-I187 CarbonylContact C-O 3.57Å; S154-I187 WeakPolarHBondContact CA-O 3.23Å; L155-I187 PolarHBondContact N-O 2.87Å; F182-I187 HydrophobicContact CD1-CG1 3.99Å; F182-I187 HydrophobicContact CE1-CD1 4.23Å; F182-I187 HydrophobicContact CE1-CG1 3.41Å; F182-I187 VanDerWaalsContact CE1-CG1 3.41Å; F182-I187 HydrophobicContact CZ-CD1 4.34Å; F182-I187 HydrophobicContact CZ-CG1 3.9Å; I187-A190 HydrophobicContact CG2-CB 4.12Å; I187-W195 HydrophobicContact CB-CH2 3.98Å; I187-W195 HydrophobicContact CD1-CH2 4.32Å; I187-W195 HydrophobicContact CD1-CZ3 4.29Å; I187-W195 HydrophobicContact CG2-CH2 3.38Å; I187-W195 HydrophobicContact CG2-CZ2 3.7Å; I187-W195 HydrophobicContact CG2-CZ3 4.32Å; I187-V202 HydrophobicContact CD1-CG1 3.56Å
188V94.1Very high93.6Very high1 Ų130.3 Ų30.31%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-90.3-56.5175.4-176.40000110.2L155 P157 L163 L181 V183L155-V188 HydrophobicContact CB-CG2 4.3Å; L155-V188 HydrophobicContact CD2-CG1 4.4Å; L155-V188 HydrophobicContact CD2-CG2 4.04Å; L155-V188 WeakPolarHBondContact O-CA 3.41Å; P157-V188 HydrophobicContact CB-CG1 3.66Å; P157-V188 HydrophobicContact CG-CG1 3.59Å; L163-V188 HydrophobicContact CD1-CG1 4.1Å; L181-V188 HydrophobicContact CD2-CB 4.19Å; L181-V188 HydrophobicContact CD2-CG1 4.4Å; L181-V188 HydrophobicContact CG-CB 4.36Å; L181-V188 PolarHBondContact O-N 3.33Å; V183-V188 HydrophobicContact CB-CG2 3.56Å; V183-V188 HydrophobicContact CG2-CG2 3.48Å; V183-V188 VanDerWaalsContact CG2-CG2 3.48Å
189V95Very high93.3Very high6 Ų629.6 Ų29.64%0.03614%0.139CC..EExtended strand (participates in β ladder)trans-143.2150.6179.8-74.10000108.6P160 L163 Q164 V167 L181P160-V189 HydrophobicContact CB-CG1 4.43Å; L163-V189 HydrophobicContact CB-CG1 4.26Å; L163-V189 HydrophobicContact CB-CG2 3.72Å; Q164-V189 HydrophobicContact CB-CG1 4.39Å; V167-V189 HydrophobicContact CG2-CG2 3.68Å; L181-V189 HydrophobicContact CB-CG2 3.77Å; L181-V189 HydrophobicContact CD2-CG2 3.98Å; L181-V189 PolarHBondContact N-O 2.86Å
190A96.3Very high92.9Very high1 Ų130.7 Ų30.71%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-152.8156.5176.200000110.3Q164 G179 C180 I187 W194 W195Q164-A190 PolarHBondContact NE2-O 2.77Å; Q164-A190 PolarHBondContact OE1-O 3.31Å; G179-A190 CarbonylContact O-C 3.55Å; G179-A190 WeakPolarHBondContact O-CA 3.44Å; G179-A190 WeakPolarHBondContact O-CB 3.4Å; C180-A190 HydrophobicContact CB-CB 3.61Å; I187-A190 HydrophobicContact CG2-CB 4.12Å; A190-W194 HydrophobicContact CB-CB 3.9Å; A190-W194 HydrophobicContact CB-CG 3.82Å; A190-W195 HydrophobicContact CB-CD2 4.34Å; A190-W195 HydrophobicContact CB-CZ2 3.76Å; A190-W195 PolarHBondContact O-NE1 3.16Å
191T96.7Very high92.7Very high6 Ų630.8 Ų30.84%0.03714%0.144CC..  trans-55.8153.8171.454.30000111.7V167 D168 A171 E177 G179 K193 W194 W195V167-T191 HydrophobicContact CG1-CG2 3.93Å; D168-T191 WeakPolarHBondContact OD1-CG2 3.36Å; A171-T191 HydrophobicContact CB-CG2 3.77Å; E177-T191 VanDerWaalsContact O-CB 3.29Å; E177-T191 WeakPolarHBondContact O-CB 3.3Å; E177-T191 PolarHBondContact O-OG1 3.31Å; G179-T191 PolarHBondContact N-OG1 2.8Å; G179-T191 PolarHBondContact O-N 3.01Å; G179-T191 PolarHBondContact O-OG1 2.84Å; G179-T191 VanDerWaalsContact O-OG1 3.1Å; T191-K193 VanDerWaalsContact C-N 3.29Å; T191-K193 PolarHBondContact O-N 3.02Å; T191-W194 WeakPolarHBondContact O-CB 3.35Å; T191-W194 PolarHBondContact O-N 2.86Å; T191-W194 VanDerWaalsContact O-N 3.13Å; T191-W194 VanDerWaalsContact OG1-CB 3.3Å; T191-W194 WeakPolarHBondContact OG1-CB 3.36Å; T191-W194 PolarHBondContact OG1-N 3.32Å; T191-W195 PolarHBondContact O-N 3.47Å
192E94.1Very high92.5Very high124 Ų12431 Ų3158%0.57915%0.146SC*.Hα-helixtrans-58.2-40.8178.4-168.7-172.8-176.800112.5W194 W195 R196E192-W194 VanDerWaalsContact C-N 3.29Å; E192-W194 PolarHBondContact O-N 2.82Å; E192-W195 PolarHBondContact O-N 3.49Å; E192-R196 WeakPolarHBondContact O-CG 3.35Å; E192-R196 PolarHBondContact O-N 3Å; E192-R196 IonicContact OE1-CZ 3.43Å; E192-R196 IonicContact OE1-NE 3.92Å; E192-R196 IonicContact OE1-NH2 2.63Å; E192-R196 PolarHBondContact OE1-NH2 2.93Å; E192-R196 IonicContact OE2-NH2 3.5Å
193K94.3Very high92.4Very high70 Ų7031.4 Ų31.430%0.30415%0.148SC..Hα-helixtrans-65.6-32.8178.8-65.3-68-173.994.70112.3E177 F178 T191 R196 L197E177-K193 HydrophobicContact CB-CB 4.18Å; E177-K193 HydrophobicContact CB-CG 3.84Å; E177-K193 IonicContact OE1-NZ 3.09Å; E177-K193 PolarHBondContact OE1-NZ 2.83Å; E177-K193 IonicContact OE2-NZ 3.73Å; E177-K193 PolarHBondContact OE2-NZ 3.46Å; F178-K193 HydrophobicContact CD1-CB 3.94Å; F178-K193 HydrophobicContact CE1-CB 3.74Å; F178-K193 WeakPolarHBondContact CE1-O 3.38Å; F178-K193 HydrophobicContact CZ-CB 4.24Å; T191-K193 VanDerWaalsContact C-N 3.29Å; T191-K193 PolarHBondContact O-N 3.02Å; K193-R196 PolarHBondContact O-N 2.93Å; K193-L197 PolarHBondContact O-N 2.86Å
194W95.2Very high92.4Very high0 Ų031.6 Ų31.60%015%0.149CC..Hα-helixtrans-61.9-43.2172.8-172.6-76.7000111.9F178 C180 F182 A190 T191 E192 R196 L197 L205 L251F178-W194 HydrophobicContact CB-CE3 4.12Å; C180-W194 HydrophobicContact CB-CD2 3.84Å; C180-W194 HydrophobicContact CB-CE3 4.13Å; C180-W194 HydrophobicContact CB-CG 4.24Å; C180-W194 HydrophobicContact CB-CH2 4.49Å; C180-W194 HydrophobicContact CB-CZ2 4.21Å; C180-W194 HydrophobicContact CB-CZ3 4.42Å; C180-W194 WeakPolarHBondContact SG-CH2 3.44Å; C180-W194 WeakPolarHBondContact SG-CZ2 3.49Å; C180-W194 VanDerWaalsContact SG-CZ3 3.58Å; F182-W194 HydrophobicContact CZ-CZ2 4.39Å; A190-W194 HydrophobicContact CB-CB 3.9Å; A190-W194 HydrophobicContact CB-CG 3.82Å; T191-W194 WeakPolarHBondContact O-CB 3.35Å; T191-W194 PolarHBondContact O-N 2.86Å; T191-W194 VanDerWaalsContact O-N 3.13Å; T191-W194 VanDerWaalsContact OG1-CB 3.3Å; T191-W194 WeakPolarHBondContact OG1-CB 3.36Å; T191-W194 PolarHBondContact OG1-N 3.32Å; E192-W194 VanDerWaalsContact C-N 3.29Å; E192-W194 PolarHBondContact O-N 2.82Å; W194-R196 PolarHBondContact O-N 2.82Å; W194-L197 HydrophobicContact CD2-CD1 4.17Å; W194-L197 HydrophobicContact CE3-CD1 4.44Å; W194-L197 HydrophobicContact CG-CD1 4.36Å; W194-L197 VanDerWaalsContact O-CB 3.28Å; W194-L197 WeakPolarHBondContact O-CB 3.34Å; W194-L197 WeakPolarHBondContact O-CG 3.13Å; W194-L197 PolarHBondContact O-N 2.96Å; W194-L205 HydrophobicContact CH2-CD1 3.96Å; W194-L205 HydrophobicContact CZ2-CB 4.22Å; W194-L205 HydrophobicContact CZ2-CD1 3.92Å; W194-L251 HydrophobicContact CE3-CD1 4.17Å; W194-L251 HydrophobicContact CH2-CD1 4.04Å; W194-L251 HydrophobicContact CH2-CG 4.25Å; W194-L251 HydrophobicContact CZ3-CD1 3.58Å; W194-L251 HydrophobicContact CZ3-CG 3.7Å
195W92.6Very high92.7Very high63 Ų6327.3 Ų27.324%0.23913%0.129CC..Hα-helixtrans-68.5-20.7177.6-63.7117.4000113.8A152 I187 A190 T191 E192 L197 R310A152-W195 HydrophobicContact CB-CZ3 3.93Å; I187-W195 HydrophobicContact CB-CH2 3.98Å; I187-W195 HydrophobicContact CD1-CH2 4.32Å; I187-W195 HydrophobicContact CD1-CZ3 4.29Å; I187-W195 HydrophobicContact CG2-CH2 3.38Å; I187-W195 HydrophobicContact CG2-CZ2 3.7Å; I187-W195 HydrophobicContact CG2-CZ3 4.32Å; A190-W195 HydrophobicContact CB-CD2 4.34Å; A190-W195 HydrophobicContact CB-CZ2 3.76Å; A190-W195 PolarHBondContact O-NE1 3.16Å; T191-W195 PolarHBondContact O-N 3.47Å; E192-W195 PolarHBondContact O-N 3.49Å; W195-L197 VanDerWaalsContact C-N 3.34Å; W195-R310 HydrophobicContact CE3-CG 4.02Å; W195-R310 HydrophobicContact CH2-CG 3.95Å; W195-R310 HydrophobicContact CZ3-CG 3.53Å
196R92.5Very high93Very high159 Ų15926.9 Ų26.960%0.612%0.124SC*.THydrogen-bonded Turntrans-83.9-7.1174.8-65.8179.2-172-179.41.9113.7E192 K193 W194E192-R196 WeakPolarHBondContact O-CG 3.35Å; E192-R196 PolarHBondContact O-N 3Å; E192-R196 IonicContact OE1-CZ 3.43Å; E192-R196 IonicContact OE1-NE 3.92Å; E192-R196 IonicContact OE1-NH2 2.63Å; E192-R196 PolarHBondContact OE1-NH2 2.93Å; E192-R196 IonicContact OE2-NH2 3.5Å; K193-R196 PolarHBondContact O-N 2.93Å; W194-R196 PolarHBondContact O-N 2.82Å
197L92.8Very high93Very high18 Ų1826.5 Ų26.59%0.09412%0.123CC..SBendtrans-60.2154.7170.4-66.7174.9000110F178 K193 W194 W195 V202 L205 L226 L251F178-L197 HydrophobicContact CD1-CD1 4.27Å; F178-L197 HydrophobicContact CD1-CD2 4.18Å; F178-L197 HydrophobicContact CD1-CG 4.27Å; F178-L197 HydrophobicContact CE1-CD2 3.67Å; F178-L197 HydrophobicContact CE1-CG 4.1Å; F178-L197 HydrophobicContact CZ-CD2 4.48Å; K193-L197 PolarHBondContact O-N 2.86Å; W194-L197 HydrophobicContact CD2-CD1 4.17Å; W194-L197 HydrophobicContact CE3-CD1 4.44Å; W194-L197 HydrophobicContact CG-CD1 4.36Å; W194-L197 VanDerWaalsContact O-CB 3.28Å; W194-L197 WeakPolarHBondContact O-CB 3.34Å; W194-L197 WeakPolarHBondContact O-CG 3.13Å; W194-L197 PolarHBondContact O-N 2.96Å; W195-L197 VanDerWaalsContact C-N 3.34Å; L197-V202 HydrophobicContact CB-CG2 3.73Å; L197-V202 HydrophobicContact CD1-CG2 4.49Å; L197-L205 HydrophobicContact CD1-CD1 4.13Å; L197-L226 HydrophobicContact CD2-CD1 3.91Å; L197-L251 HydrophobicContact CD1-CD1 4.26Å
198A91.3Very high92.9Very high17 Ų1726.7 Ų26.714%0.1412%0.124CC..  trans-64.2139.2178.800000109.7Q200 E201 V202 Q228A198-Q200 PolarHBondContact O-N 3.1Å; A198-Q200 VanDerWaalsContact O-N 3.1Å; A198-E201 HydrophobicContact CB-CG 3.87Å; A198-E201 PolarHBondContact N-OE2 2.78Å; A198-E201 WeakPolarHBondContact O-CA 3.33Å; A198-E201 VanDerWaalsContact O-CB 3.32Å; A198-E201 WeakPolarHBondContact O-CB 3.33Å; A198-E201 PolarHBondContact O-N 3.13Å; A198-V202 PolarHBondContact O-N 3.17Å; A198-Q228 HydrophobicContact CB-CB 4.07Å; A198-Q228 VanDerWaalsContact CB-CD 3.44Å; A198-Q228 HydrophobicContact CB-CG 4.17Å
199P88.5Confident92.9Very high39 Ų3926.7 Ų26.725%0.25312%0.124SC..Hα-helixtrans-57.9-35.3-170.4-26.333.5000113.8H150 E201 V202 V203 R309H150-P199 WeakPolarHBondContact O-CB 3.48Å; P199-E201 VanDerWaalsContact C-N 3.32Å; P199-E201 PolarHBondContact O-N 3.37Å; P199-V202 PolarHBondContact O-N 3.47Å; P199-V203 WeakPolarHBondContact O-CG2 3.25Å; P199-V203 PolarHBondContact O-N 2.83Å; P199-R309 HydrophobicContact CB-CB 4.49Å; P199-R309 HydrophobicContact CG-CB 4.21Å; P199-R309 HydrophobicContact CG-CG 3.96Å
200Q88.1Confident92.6Very high22 Ų2228.1 Ų28.110%0.10313%0.129CC..Hα-helixtrans-62-38.5174.8-171.8177.430.800112.4E98 N99 S102 A198 V203 L204E98-Q200 PolarHBondContact O-NE2 2.79Å; N99-Q200 PolarHBondContact OD1-NE2 2.94Å; S102-Q200 PolarHBondContact OG-NE2 3.07Å; S102-Q200 PolarHBondContact OG-OE1 3.09Å; A198-Q200 PolarHBondContact O-N 3.1Å; A198-Q200 VanDerWaalsContact O-N 3.1Å; Q200-V203 PolarHBondContact O-N 2.77Å; Q200-L204 HydrophobicContact CG-CD1 4.19Å; Q200-L204 WeakPolarHBondContact O-CB 3.38Å; Q200-L204 VanDerWaalsContact O-CG 3.25Å; Q200-L204 WeakPolarHBondContact O-CG 3.41Å; Q200-L204 PolarHBondContact O-N 2.82Å
201E93Very high92.3Very high3 Ų329.1 Ų29.11%0.01414%0.135CC..Hα-helixtrans-66.6-43.8177.8-51.9-179.7134.900110.4A198 P199 V203 L204 L205 L226 Q228 G229A198-E201 HydrophobicContact CB-CG 3.87Å; A198-E201 PolarHBondContact N-OE2 2.78Å; A198-E201 WeakPolarHBondContact O-CA 3.33Å; A198-E201 VanDerWaalsContact O-CB 3.32Å; A198-E201 WeakPolarHBondContact O-CB 3.33Å; A198-E201 PolarHBondContact O-N 3.13Å; P199-E201 VanDerWaalsContact C-N 3.32Å; P199-E201 PolarHBondContact O-N 3.37Å; E201-V203 VanDerWaalsContact C-N 3.35Å; E201-V203 PolarHBondContact O-N 2.89Å; E201-L204 PolarHBondContact O-N 2.91Å; E201-L205 WeakPolarHBondContact O-CB 3.42Å; E201-L205 WeakPolarHBondContact O-CG 3.35Å; E201-L205 PolarHBondContact O-N 3.33Å; E201-L226 WeakPolarHBondContact OE1-CB 3.45Å; E201-Q228 WeakPolarHBondContact OE1-CA 3.49Å; E201-Q228 PolarHBondContact OE1-N 3.43Å; E201-G229 PolarHBondContact OE1-N 2.65Å
202V92.9Very high92Very high5 Ų529.9 Ų29.93%0.0314%0.139CC..Hα-helixtrans-60.6-46.4177.1-177.20000110.5A152 I187 L197 A198 P199 L204 L205 C206A152-V202 HydrophobicContact CB-CG1 3.6Å; I187-V202 HydrophobicContact CD1-CG1 3.56Å; L197-V202 HydrophobicContact CB-CG2 3.73Å; L197-V202 HydrophobicContact CD1-CG2 4.49Å; A198-V202 PolarHBondContact O-N 3.17Å; P199-V202 PolarHBondContact O-N 3.47Å; V202-L204 PolarHBondContact O-N 3.01Å; V202-L205 PolarHBondContact O-N 2.76Å; V202-C206 PolarHBondContact O-N 2.96Å; V202-C206 PolarHBondContact O-SG 3.26Å
203V91.4Very high91.7Very high7 Ų725.5 Ų25.54%0.04212%0.122CC..Hα-helixtrans-60.2-45.3177.9170.10000111.6D147 P199 Q200 E201 C206 A207D147-V203 WeakPolarHBondContact OD1-CG1 3.38Å; P199-V203 WeakPolarHBondContact O-CG2 3.25Å; P199-V203 PolarHBondContact O-N 2.83Å; Q200-V203 PolarHBondContact O-N 2.77Å; E201-V203 VanDerWaalsContact C-N 3.35Å; E201-V203 PolarHBondContact O-N 2.89Å; V203-C206 WeakPolarHBondContact O-CB 3.21Å; V203-C206 PolarHBondContact O-N 2.89Å; V203-A207 PolarHBondContact O-N 3.43Å
204L92.3Very high91.3Very high4 Ų426.2 Ų26.22%0.02114%0.141CC..Hα-helixtrans-68.5-37.5178.5-67.5171.7000112.5S102 C103 L106 L136 Q200 E201 V202 A207 L208S102-L204 VanDerWaalsContact CB-CD1 3.48Å; C103-L204 HydrophobicContact CB-CD2 4.11Å; L106-L204 HydrophobicContact CD2-CB 3.71Å; L136-L204 HydrophobicContact CD1-CD2 4.35Å; Q200-L204 HydrophobicContact CG-CD1 4.19Å; Q200-L204 WeakPolarHBondContact O-CB 3.38Å; Q200-L204 VanDerWaalsContact O-CG 3.25Å; Q200-L204 WeakPolarHBondContact O-CG 3.41Å; Q200-L204 PolarHBondContact O-N 2.82Å; E201-L204 PolarHBondContact O-N 2.91Å; V202-L204 PolarHBondContact O-N 3.01Å; L204-A207 WeakPolarHBondContact O-CB 3.31Å; L204-A207 PolarHBondContact O-N 2.88Å; L204-A207 VanDerWaalsContact O-N 3.16Å; L204-L208 WeakPolarHBondContact O-CB 3.48Å; L204-L208 PolarHBondContact O-N 3.05Å
205L94.4Very high90.8Very high0 Ų030.5 Ų30.50%017%0.171CC..Hα-helixtrans-62.1-43.5172.7-74.3167.7000110.9L106 W194 L197 E201 V202 A207 L208 V209 L226 L237 L251L106-L205 HydrophobicContact CD1-CD2 4.01Å; L106-L205 HydrophobicContact CD1-CG 4.46Å; W194-L205 HydrophobicContact CH2-CD1 3.96Å; W194-L205 HydrophobicContact CZ2-CB 4.22Å; W194-L205 HydrophobicContact CZ2-CD1 3.92Å; L197-L205 HydrophobicContact CD1-CD1 4.13Å; E201-L205 WeakPolarHBondContact O-CB 3.42Å; E201-L205 WeakPolarHBondContact O-CG 3.35Å; E201-L205 PolarHBondContact O-N 3.33Å; V202-L205 PolarHBondContact O-N 2.76Å; L205-A207 VanDerWaalsContact C-N 3.28Å; L205-A207 PolarHBondContact O-N 3.27Å; L205-L208 PolarHBondContact O-N 2.79Å; L205-V209 WeakPolarHBondContact O-CG2 3.22Å; L205-V209 PolarHBondContact O-N 2.81Å; L205-L226 HydrophobicContact CD1-CD2 4.22Å; L205-L237 HydrophobicContact CD2-CD2 4.46Å; L205-L251 HydrophobicContact CD1-CD1 4.05Å; L205-L251 HydrophobicContact CD2-CD2 4.43Å
206C91.9Very high90.2Very high6 Ų630.5 Ų30.54%0.04119%0.191CC..Hα-helixtrans-57.8-41.6172.4-64.40000111.5F182 V202 V203 R210F182-C206 HydrophobicContact CE1-CB 4.1Å; F182-C206 VanDerWaalsContact CE1-SG 3.54Å; V202-C206 PolarHBondContact O-N 2.96Å; V202-C206 PolarHBondContact O-SG 3.26Å; V203-C206 WeakPolarHBondContact O-CB 3.21Å; V203-C206 PolarHBondContact O-N 2.89Å; C206-R210 VanDerWaalsContact O-CG 3.31Å; C206-R210 WeakPolarHBondContact O-CG 3.32Å; C206-R210 PolarHBondContact O-N 2.81Å; C206-R210 VanDerWaalsContact O-N 3.09Å; C206-R210 PolarHBondContact O-NE 3Å
207A91.4Very high89.9Confident5 Ų525.7 Ų25.74%0.04118%0.181CC..Hα-helixtrans-65.6-41.6177.100000112.6L132 V203 L204 L205 R210 T211L132-A207 HydrophobicContact CD2-CB 4.04Å; V203-A207 PolarHBondContact O-N 3.43Å; L204-A207 WeakPolarHBondContact O-CB 3.31Å; L204-A207 PolarHBondContact O-N 2.88Å; L204-A207 VanDerWaalsContact O-N 3.16Å; L205-A207 VanDerWaalsContact C-N 3.28Å; L205-A207 PolarHBondContact O-N 3.27Å; A207-R210 VanDerWaalsContact CA-CZ 3.48Å; A207-R210 VanDerWaalsContact CA-NH2 3.27Å; A207-R210 PolarHBondContact O-N 2.86Å; A207-T211 PolarHBondContact O-N 3.14Å; A207-T211 VanDerWaalsContact O-N 3.13Å; A207-T211 PolarHBondContact O-OG1 2.83Å; A207-T211 VanDerWaalsContact O-OG1 3.1Å
208L92.8Very high89.7Confident4 Ų427.3 Ų27.32%0.02120%0.197CC..Hα-helixtrans-61.8-51.6174.8178.561.7000111.7L106 L132 L204 L205 R210 T211 L212 Y222 V224 L237L106-L208 HydrophobicContact CD2-CD2 4.41Å; L132-L208 HydrophobicContact CD1-CB 4.39Å; L132-L208 HydrophobicContact CD1-CD1 4.13Å; L132-L208 HydrophobicContact CD2-CB 4.41Å; L204-L208 WeakPolarHBondContact O-CB 3.48Å; L204-L208 PolarHBondContact O-N 3.05Å; L205-L208 PolarHBondContact O-N 2.79Å; L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 3.26Å; L208-T211 WeakPolarHBondContact O-CA 3.44Å; L208-T211 WeakPolarHBondContact O-CB 3.47Å; L208-T211 PolarHBondContact O-N 3.14Å; L208-L212 HydrophobicContact CD1-CD1 4.1Å; L208-L212 HydrophobicContact CD1-CG 4.14Å; L208-L212 HydrophobicContact CG-CD1 3.93Å; L208-L212 HydrophobicContact CG-CG 4.38Å; L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 2.87Å; L208-Y222 HydrophobicContact CD1-CD1 4.33Å; L208-Y222 HydrophobicContact CD1-CE1 4.08Å; L208-Y222 HydrophobicContact CD2-CD1 3.94Å; L208-Y222 HydrophobicContact CD2-CE1 4.16Å; L208-V224 HydrophobicContact CD2-CG1 3.44Å; L208-V224 VanDerWaalsContact CD2-CG1 3.44Å; L208-L237 HydrophobicContact CD2-CD2 3.82Å; L208-L237 HydrophobicContact CG-CD2 4.31Å
209V92.5Very high89.8Confident1 Ų127.4 Ų27.41%0.00620%0.197CC..Hα-helixtrans-56.6-43.7177.9172.60000110.7F182 L205 T211 L212 S213 L237F182-V209 HydrophobicContact CD2-CG1 3.9Å; F182-V209 HydrophobicContact CD2-CG2 4.42Å; F182-V209 HydrophobicContact CE2-CB 4.26Å; F182-V209 HydrophobicContact CE2-CG1 4.12Å; F182-V209 HydrophobicContact CE2-CG2 3.83Å; F182-V209 HydrophobicContact CG-CG1 4.12Å; F182-V209 HydrophobicContact CZ-CB 4.4Å; F182-V209 HydrophobicContact CZ-CG2 4.16Å; L205-V209 WeakPolarHBondContact O-CG2 3.22Å; L205-V209 PolarHBondContact O-N 2.81Å; V209-T211 VanDerWaalsContact C-N 3.28Å; V209-T211 PolarHBondContact O-N 3.42Å; V209-L212 PolarHBondContact O-N 2.85Å; V209-L212 VanDerWaalsContact O-N 3.14Å; V209-S213 WeakPolarHBondContact O-CB 3.41Å; V209-S213 PolarHBondContact O-N 3.5Å; V209-S213 PolarHBondContact O-OG 3.15Å; V209-S213 VanDerWaalsContact O-OG 3.07Å; V209-L237 HydrophobicContact CG2-CD2 4.1Å
210R90.4Very high90.1Very high36 Ų3626.5 Ų26.514%0.13619%0.192CC..Hα-helixtrans-57.9-38.2174.7-77.1-179.7-80.8125.4-8.2113.1C206 A207 L208 A214C206-R210 VanDerWaalsContact O-CG 3.31Å; C206-R210 WeakPolarHBondContact O-CG 3.32Å; C206-R210 PolarHBondContact O-N 2.81Å; C206-R210 VanDerWaalsContact O-N 3.09Å; C206-R210 PolarHBondContact O-NE 3Å; A207-R210 VanDerWaalsContact CA-CZ 3.48Å; A207-R210 VanDerWaalsContact CA-NH2 3.27Å; A207-R210 PolarHBondContact O-N 2.86Å; L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 3.26Å; R210-A214 WeakPolarHBondContact O-CB 3.49Å; R210-A214 PolarHBondContact O-N 3.26Å
211T89.8Confident90.4Very high22 Ų2228.5 Ų28.514%0.13520%0.203CC..Hα-helixtrans-68.7-42.7175.9-57.20000111.7C131 L132 K135 A207 L208 V209 A214 S215C131-T211 HydrophobicContact CB-CG2 4.12Å; C131-T211 WeakPolarHBondContact SG-CG2 3.5Å; L132-T211 WeakPolarHBondContact CD2-OG1 3.48Å; K135-T211 WeakPolarHBondContact CE-OG1 3.43Å; K135-T211 PolarHBondContact NZ-OG1 3.2Å; A207-T211 PolarHBondContact O-N 3.14Å; A207-T211 VanDerWaalsContact O-N 3.13Å; A207-T211 PolarHBondContact O-OG1 2.83Å; A207-T211 VanDerWaalsContact O-OG1 3.1Å; L208-T211 WeakPolarHBondContact O-CA 3.44Å; L208-T211 WeakPolarHBondContact O-CB 3.47Å; L208-T211 PolarHBondContact O-N 3.14Å; V209-T211 VanDerWaalsContact C-N 3.28Å; V209-T211 PolarHBondContact O-N 3.42Å; T211-A214 PolarHBondContact O-N 3.42Å; T211-S215 PolarHBondContact O-N 3.22Å; T211-S215 PolarHBondContact O-OG 2.91Å
212L90.2Very high90.5Very high22 Ų2230.9 Ų30.912%0.11521%0.212CC..Hα-helixtrans-66.6-41.5179.1-63.3173000111.2L208 V209 A214 S215 Y222 L237L208-L212 HydrophobicContact CD1-CD1 4.1Å; L208-L212 HydrophobicContact CD1-CG 4.14Å; L208-L212 HydrophobicContact CG-CD1 3.93Å; L208-L212 HydrophobicContact CG-CG 4.38Å; L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 2.87Å; V209-L212 PolarHBondContact O-N 2.85Å; V209-L212 VanDerWaalsContact O-N 3.14Å; L212-A214 PolarHBondContact O-N 2.79Å; L212-S215 VanDerWaalsContact O-CB 3.3Å; L212-S215 WeakPolarHBondContact O-CB 3.28Å; L212-S215 PolarHBondContact O-N 2.94Å; L212-S215 VanDerWaalsContact O-N 3.11Å; L212-Y222 HydrophobicContact CD1-CG 4.37Å; L212-Y222 HydrophobicContact CD2-CD2 3.95Å; L212-Y222 HydrophobicContact CD2-CE2 4.38Å; L212-Y222 HydrophobicContact CD2-CG 4.49Å; L212-L237 HydrophobicContact CD1-CD2 4.27Å
213S87.8Confident90.6Very high32 Ų3233.8 Ų33.822%0.22423%0.231CC..Hα-helixtrans-64.7-37.1176.7-57.30000113V209 S215 G216 R239 D247V209-S213 WeakPolarHBondContact O-CB 3.41Å; V209-S213 PolarHBondContact O-N 3.5Å; V209-S213 PolarHBondContact O-OG 3.15Å; V209-S213 VanDerWaalsContact O-OG 3.07Å; S213-S215 PolarHBondContact O-N 3.37Å; S213-G216 PolarHBondContact O-N 2.83Å; S213-R239 PolarHBondContact OG-NE 3.12Å; S213-R239 PolarHBondContact OG-NH2 2.97Å; S213-D247 PolarHBondContact OG-OD2 3.35Å
214A85.9Confident90.8Very high85 Ų8533.5 Ų33.570%0.70223%0.229SC*.Hα-helixtrans-67.6-19.317500000113.4R210 T211 L212 G216R210-A214 WeakPolarHBondContact O-CB 3.49Å; R210-A214 PolarHBondContact O-N 3.26Å; T211-A214 PolarHBondContact O-N 3.42Å; L212-A214 PolarHBondContact O-N 2.79Å; A214-G216 PolarHBondContact O-N 3.44Å
215S84Confident91.1Very high90 Ų9034.8 Ų34.863%0.62924%0.235SC*.THydrogen-bonded Turntrans-75.8-6.4-179.5-53.90000113.3T211 L212 S213 S217T211-S215 PolarHBondContact O-N 3.22Å; T211-S215 PolarHBondContact O-OG 2.91Å; L212-S215 VanDerWaalsContact O-CB 3.3Å; L212-S215 WeakPolarHBondContact O-CB 3.28Å; L212-S215 PolarHBondContact O-N 2.94Å; L212-S215 VanDerWaalsContact O-N 3.11Å; S213-S215 PolarHBondContact O-N 3.37Å; S215-S217 VanDerWaalsContact C-N 3.31Å; S215-S217 PolarHBondContact O-N 3.25Å
216G79.9Confident91.1Very high64 Ų6435.1 Ų35.166%0.6624%0.237SC*.THydrogen-bonded Turntrans78.91.6173.300000116S213 A214S213-G216 PolarHBondContact O-N 2.83Å; A214-G216 PolarHBondContact O-N 3.44Å
217S87.3Confident91.2Very high57 Ų5735.7 Ų35.740%0.39924%0.24SC..  trans-73.8139.3173.1-163.30000110.9S215 S219 R239S215-S217 VanDerWaalsContact C-N 3.31Å; S215-S217 PolarHBondContact O-N 3.25Å; S217-S219 PolarHBondContact OG-O 3.23Å; S217-R239 PolarHBondContact O-NH1 3.38Å
218A88.9Confident91.2Very high52 Ų5240.4 Ų40.443%0.4326%0.262SS..SBendtrans-75.3-34.2176.100000112.2Q241A218-Q241 VanDerWaalsContact O-CB 3.22Å; A218-Q241 WeakPolarHBondContact O-CB 3.39Å; A218-Q241 PolarHBondContact O-N 3.26Å
219S93.3Very high91Very high19 Ų1943 Ų4313%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-135.1152174.165.10000110.4S217 R239 E262S217-S219 PolarHBondContact OG-O 3.23Å; S219-R239 CarbonylContact C-O 3.59Å; S219-R239 VanDerWaalsContact CA-O 3.23Å; S219-R239 WeakPolarHBondContact CA-O 3.24Å; S219-E262 WeakPolarHBondContact CB-OE2 3.44Å; S219-E262 PolarHBondContact OG-OE2 2.9Å
220C93.6Very high91.1Very high21 Ų2143.9 Ų43.914%0.14230%0.295CS..EExtended strand (participates in β ladder)trans-149.5151.8173.465.10000112.2L238 R239C220-L238 WeakPolarHBondContact O-CA 3.49Å; C220-R239 PolarHBondContact N-O 3.38Å; C220-R239 PolarHBondContact O-N 3.5Å
221D95.3Very high91.2Very high63 Ų6343.4 Ų43.434%0.33730%0.297SS..EExtended strand (participates in β ladder)trans-122.7112.5174.3-174.6-10.9000107.2R236 L238 L258D221-R236 IonicContact OD1-CZ 2.71Å; D221-R236 IonicContact OD1-NE 3.27Å; D221-R236 PolarHBondContact OD1-NE 3.08Å; D221-R236 VanDerWaalsContact OD1-NE 3.07Å; D221-R236 IonicContact OD1-NH2 3.55Å; D221-R236 IonicContact OD2-CZ 3.27Å; D221-R236 VanDerWaalsContact OD2-CZ 3.27Å; D221-R236 IonicContact OD2-NE 3.87Å; D221-R236 PolarHBondContact OD2-NE 3.3Å; D221-R236 VanDerWaalsContact OD2-NE 3.09Å; D221-R236 IonicContact OD2-NH2 3.86Å; D221-R236 PolarHBondContact OD2-NH2 3.19Å; D221-L238 HydrophobicContact CB-CD2 3.72Å; D221-L238 WeakPolarHBondContact OD1-CD2 3.36Å; D221-L258 HydrophobicContact CB-CB 4.41Å; D221-L258 HydrophobicContact CB-CD1 4.26Å; D221-L258 HydrophobicContact CB-CD2 4.22Å
222Y94.3Very high91.4Very high53 Ų5345.4 Ų45.421%0.20831%0.309CS..EExtended strand (participates in β ladder)trans-128.2125.4-172.7-162.3-86.6000110.6V107 L208 L212 V224 L237V107-Y222 WeakPolarHBondContact CG1-OH 3.35Å; L208-Y222 HydrophobicContact CD1-CD1 4.33Å; L208-Y222 HydrophobicContact CD1-CE1 4.08Å; L208-Y222 HydrophobicContact CD2-CD1 3.94Å; L208-Y222 HydrophobicContact CD2-CE1 4.16Å; L212-Y222 HydrophobicContact CD1-CG 4.37Å; L212-Y222 HydrophobicContact CD2-CD2 3.95Å; L212-Y222 HydrophobicContact CD2-CE2 4.38Å; L212-Y222 HydrophobicContact CD2-CG 4.49Å; Y222-V224 HydrophobicContact CD1-CG1 3.8Å; Y222-V224 HydrophobicContact CE1-CG1 4.43Å; Y222-L237 PolarHBondContact N-O 3.01Å; Y222-L237 WeakPolarHBondContact O-CB 3.48Å; Y222-L237 PolarHBondContact O-N 3.09Å
223P95.3Very high91.6Very high67 Ų6748.4 Ų48.444%0.43533%0.328SS..EExtended strand (participates in β ladder)trans-70.1132.8175.529.9-33.6000110.2H235P223-H235 CarbonylContact C-O 3.55Å; P223-H235 WeakPolarHBondContact CA-O 3.35Å
224V96.5Very high91.9Very high0 Ų049.5 Ų49.50%034%0.339CS..EExtended strand (participates in β ladder)trans-135.9142.4178.2-62.10000110.7L106 L208 Y222 H235 L237 L251L106-V224 HydrophobicContact CD1-CB 3.99Å; L106-V224 HydrophobicContact CD1-CG1 4.4Å; L106-V224 CarbonylContact O-C 3.56Å; L106-V224 WeakPolarHBondContact O-CA 3.1Å; L208-V224 HydrophobicContact CD2-CG1 3.44Å; L208-V224 VanDerWaalsContact CD2-CG1 3.44Å; Y222-V224 HydrophobicContact CD1-CG1 3.8Å; Y222-V224 HydrophobicContact CE1-CG1 4.43Å; V224-H235 HydrophobicContact CG2-CB 4.16Å; V224-H235 PolarHBondContact N-O 3.34Å; V224-H235 PolarHBondContact O-N 2.96Å; V224-L237 HydrophobicContact CG1-CB 3.88Å; V224-L237 HydrophobicContact CG1-CD2 4.24Å; V224-L237 HydrophobicContact CG2-CB 3.98Å; V224-L251 HydrophobicContact CG2-CD2 3.37Å
225F96.6Very high92.3Very high31 Ų3147.7 Ų47.714%0.13632%0.316CS..EExtended strand (participates in β ladder)trans-109.2145.8172.4-58.1-102000108.3V105 L106 G109 P227 V233 A234V105-F225 WeakPolarHBondContact O-CB 3.42Å; L106-F225 VanDerWaalsContact CA-O 3.3Å; L106-F225 WeakPolarHBondContact CA-O 3.28Å; L106-F225 WeakPolarHBondContact CD1-O 3.39Å; L106-F225 PolarHBondContact O-N 2.92Å; G109-F225 VanDerWaalsContact CA-CG 3.45Å; G109-F225 VanDerWaalsContact N-CD2 3.27Å; F225-P227 VanDerWaalsContact O-CD 3.27Å; F225-P227 WeakPolarHBondContact O-CD 3.2Å; F225-V233 VanDerWaalsContact CD1-C 3.48Å; F225-A234 HydrophobicContact CD1-CB 4.21Å; F225-A234 HydrophobicContact CE1-CB 3.63Å; F225-A234 HydrophobicContact CE2-CB 4.18Å; F225-A234 HydrophobicContact CZ-CB 3.61Å
226L95.6Very high92.9Very high8 Ų845.7 Ų45.74%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-95.6109.8179.4-64176.8000108.3L197 E201 L205 Q228 G229 S230 P231 L251L197-L226 HydrophobicContact CD2-CD1 3.91Å; E201-L226 WeakPolarHBondContact OE1-CB 3.45Å; L205-L226 HydrophobicContact CD1-CD2 4.22Å; L226-Q228 PolarHBondContact O-N 2.82Å; L226-G229 PolarHBondContact O-N 2.82Å; L226-S230 PolarHBondContact N-O 2.87Å; L226-S230 CarbonylContact O-C 3.59Å; L226-S230 PolarHBondContact O-N 2.81Å; L226-P231 VanDerWaalsContact O-CA 3.28Å; L226-P231 WeakPolarHBondContact O-CA 3.28Å; L226-L251 HydrophobicContact CD2-CD1 4.4Å
227P93.3Very high93.7Very high18 Ų1842.7 Ų42.712%0.11726%0.263CS..THydrogen-bonded Turntrans-52.8-29.7-171.1-30.735000116.4S102 V105 L106 F225S102-P227 WeakPolarHBondContact O-CG 3.25Å; V105-P227 HydrophobicContact CB-CB 4.31Å; V105-P227 HydrophobicContact CB-CG 4.26Å; V105-P227 HydrophobicContact CG1-CB 4.13Å; V105-P227 HydrophobicContact CG1-CG 4.25Å; L106-P227 HydrophobicContact CB-CG 4.28Å; F225-P227 VanDerWaalsContact O-CD 3.27Å; F225-P227 WeakPolarHBondContact O-CD 3.2Å
228Q91.5Very high94.1Very high104 Ų10440 Ų4049%0.48624%0.244SC..THydrogen-bonded Turntrans-109-42.3178.7-57.3-174.719.100111.1A198 E201 L226A198-Q228 HydrophobicContact CB-CB 4.07Å; A198-Q228 VanDerWaalsContact CB-CD 3.44Å; A198-Q228 HydrophobicContact CB-CG 4.17Å; E201-Q228 WeakPolarHBondContact OE1-CA 3.49Å; E201-Q228 PolarHBondContact OE1-N 3.43Å; L226-Q228 PolarHBondContact O-N 2.82Å
229G90Very high94.4Very high58 Ų5837.6 Ų37.660%0.59822%0.224SC*.THydrogen-bonded Turntrans-74.8-44-175.500000114.2E201 L226E201-G229 PolarHBondContact OE1-N 2.65Å; L226-G229 PolarHBondContact O-N 2.82Å
230S93Very high94.6Very high20 Ų2036.8 Ų36.814%0.1422%0.219CC..EExtended strand (participates in β ladder)trans-157.672.5-175.266.30000111.2L226 T232 V233 H235L226-S230 PolarHBondContact N-O 2.87Å; L226-S230 CarbonylContact O-C 3.59Å; L226-S230 PolarHBondContact O-N 2.81Å; S230-T232 VanDerWaalsContact C-N 3.27Å; S230-T232 PolarHBondContact O-N 3.01Å; S230-V233 PolarHBondContact O-N 3.43Å; S230-H235 PolarHBondContact OG-CD2 2.97Å; S230-H235 VanDerWaalsContact OG-CD2 3.31Å; S230-H235 PolarHBondContact OG-NE2 3.1Å
231P93.8Very high94.7Very high25 Ų2539.2 Ų39.216%0.16223%0.228CC..EExtended strand (participates in β ladder)trans-74-16.6-169.327.1-35.2000114V105 Q110 L226V105-P231 HydrophobicContact CG1-CB 3.86Å; Q110-P231 HydrophobicContact CB-CB 3.84Å; Q110-P231 PolarHBondContact N-O 3.49Å; Q110-P231 VanDerWaalsContact OE1-CB 3.23Å; L226-P231 VanDerWaalsContact O-CA 3.28Å; L226-P231 WeakPolarHBondContact O-CA 3.28Å
232T93.6Very high94.6Very high65 Ų6537.8 Ų37.840%0.39922%0.22SC..EExtended strand (participates in β ladder)trans-107.1-11.3-178.857.80000113.3Q110 D111 S230Q110-T232 HydrophobicContact CB-CG2 4.48Å; D111-T232 VanDerWaalsContact OD1-CG2 3.32Å; D111-T232 WeakPolarHBondContact OD1-CG2 3.46Å; D111-T232 WeakPolarHBondContact OD2-CB 3.48Å; D111-T232 WeakPolarHBondContact OD2-CG2 3.5Å; S230-T232 VanDerWaalsContact C-N 3.27Å; S230-T232 PolarHBondContact O-N 3.01Å
233V93.5Very high94.6Very high84 Ų8436.9 Ų36.951%0.50922%0.218SC..EExtended strand (participates in β ladder)trans-108.5120.4-177.9-178.10000109.4F225 S230F225-V233 VanDerWaalsContact CD1-C 3.48Å; S230-V233 PolarHBondContact O-N 3.43Å
234A93.9Very high94.4Very high55 Ų5538.9 Ų38.946%0.45523%0.231SC..EExtended strand (participates in β ladder)trans-76.6126.5177.300000111.1F225F225-A234 HydrophobicContact CD1-CB 4.21Å; F225-A234 HydrophobicContact CE1-CB 3.63Å; F225-A234 HydrophobicContact CE2-CB 4.18Å; F225-A234 HydrophobicContact CZ-CB 3.61Å
235H95.3Very high94Very high48 Ų4840.2 Ų40.222%0.22225%0.245CC..EExtended strand (participates in β ladder)trans-98.6163.2163.6-60.3-76.5000109.9P223 V224 S230P223-H235 CarbonylContact C-O 3.55Å; P223-H235 WeakPolarHBondContact CA-O 3.35Å; V224-H235 HydrophobicContact CG2-CB 4.16Å; V224-H235 PolarHBondContact N-O 3.34Å; V224-H235 PolarHBondContact O-N 2.96Å; S230-H235 PolarHBondContact OG-CD2 2.97Å; S230-H235 VanDerWaalsContact OG-CD2 3.31Å; S230-H235 PolarHBondContact OG-NE2 3.1Å
236R95.6Very high93.9Very high48 Ų4838.7 Ų38.718%0.18124%0.239CC..EExtended strand (participates in β ladder)trans-105.6117.2173.1-73171.855.7-1316.1109.3D221 L238 L251 C252 G253 P254 P256D221-R236 IonicContact OD1-CZ 2.71Å; D221-R236 IonicContact OD1-NE 3.27Å; D221-R236 PolarHBondContact OD1-NE 3.08Å; D221-R236 VanDerWaalsContact OD1-NE 3.07Å; D221-R236 IonicContact OD1-NH2 3.55Å; D221-R236 IonicContact OD2-CZ 3.27Å; D221-R236 VanDerWaalsContact OD2-CZ 3.27Å; D221-R236 IonicContact OD2-NE 3.87Å; D221-R236 PolarHBondContact OD2-NE 3.3Å; D221-R236 VanDerWaalsContact OD2-NE 3.09Å; D221-R236 IonicContact OD2-NH2 3.86Å; D221-R236 PolarHBondContact OD2-NH2 3.19Å; R236-L238 PolarHBondContact O-N 2.95Å; R236-L251 WeakPolarHBondContact O-CA 3.48Å; R236-C252 PolarHBondContact N-O 3.05Å; R236-C252 PolarHBondContact O-N 2.93Å; R236-G253 WeakPolarHBondContact CD-O 3.46Å; R236-G253 PolarHBondContact NH1-O 2.86Å; R236-P254 VanDerWaalsContact NH1-C 3.28Å; R236-P254 PolarHBondContact NH1-O 3.33Å; R236-P256 PolarHBondContact NH1-O 2.91Å; R236-P256 PolarHBondContact NH2-O 3.48Å; R236-P256 VanDerWaalsContact NH2-O 3.1Å
237L96.8Very high93.9Very high0 Ų038.7 Ų38.70%024%0.238CC..EExtended strand (participates in β ladder)trans-85.1103.9168.3-179.567.2000108.3L205 L208 V209 L212 Y222 V224 C249 L251L205-L237 HydrophobicContact CD2-CD2 4.46Å; L208-L237 HydrophobicContact CD2-CD2 3.82Å; L208-L237 HydrophobicContact CG-CD2 4.31Å; V209-L237 HydrophobicContact CG2-CD2 4.1Å; L212-L237 HydrophobicContact CD1-CD2 4.27Å; Y222-L237 PolarHBondContact N-O 3.01Å; Y222-L237 WeakPolarHBondContact O-CB 3.48Å; Y222-L237 PolarHBondContact O-N 3.09Å; V224-L237 HydrophobicContact CG1-CB 3.88Å; V224-L237 HydrophobicContact CG1-CD2 4.24Å; V224-L237 HydrophobicContact CG2-CB 3.98Å; L237-C249 HydrophobicContact CD1-CB 3.91Å; L237-L251 HydrophobicContact CB-CD2 3.88Å; L237-L251 HydrophobicContact CD1-CD2 3.68Å; L237-L251 HydrophobicContact CD1-CG 4.17Å; L237-L251 HydrophobicContact CG-CD2 4.37Å
238L96.6Very high94Very high0 Ų037.8 Ų37.80%023%0.233CC..EExtended strand (participates in β ladder)trans-90.2126.1169.6-52-176.9000108.4C220 D221 R236 F240 C249 V250 C252 P256 L258 A261C220-L238 WeakPolarHBondContact O-CA 3.49Å; D221-L238 HydrophobicContact CB-CD2 3.72Å; D221-L238 WeakPolarHBondContact OD1-CD2 3.36Å; R236-L238 PolarHBondContact O-N 2.95Å; L238-F240 HydrophobicContact CB-CE2 3.68Å; L238-F240 HydrophobicContact CB-CZ 3.87Å; L238-F240 HydrophobicContact CD1-CZ 4.3Å; L238-C249 CarbonylContact O-C 3.58Å; L238-C249 VanDerWaalsContact O-CA 3.22Å; L238-C249 WeakPolarHBondContact O-CA 3.25Å; L238-V250 HydrophobicContact CB-CG1 3.81Å; L238-V250 HydrophobicContact CD1-CG1 4.26Å; L238-V250 HydrophobicContact CG-CG1 4.33Å; L238-V250 PolarHBondContact N-O 3.34Å; L238-V250 PolarHBondContact O-N 3.33Å; L238-C252 VanDerWaalsContact CD1-SG 3.56Å; L238-P256 HydrophobicContact CD1-CG 4.2Å; L238-L258 HydrophobicContact CD2-CD1 4.19Å; L238-A261 HydrophobicContact CD1-CB 4.47Å
239R95.9Very high94.3Very high2 Ų232.9 Ų32.91%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-123.5136.1174.7167.3-93.9177.1170.9-7.4110.1S213 S217 S219 C220 D247 V248 C249S213-R239 PolarHBondContact OG-NE 3.12Å; S213-R239 PolarHBondContact OG-NH2 2.97Å; S217-R239 PolarHBondContact O-NH1 3.38Å; S219-R239 CarbonylContact C-O 3.59Å; S219-R239 VanDerWaalsContact CA-O 3.23Å; S219-R239 WeakPolarHBondContact CA-O 3.24Å; C220-R239 PolarHBondContact N-O 3.38Å; C220-R239 PolarHBondContact O-N 3.5Å; R239-D247 HydrophobicContact CG-CB 4.22Å; R239-D247 IonicContact CZ-OD1 2.66Å; R239-D247 IonicContact NE-OD1 3.63Å; R239-D247 PolarHBondContact NE-OD1 3.44Å; R239-D247 IonicContact NE-OD2 3.16Å; R239-D247 IonicContact NH2-OD1 3.09Å; R239-D247 PolarHBondContact NH2-OD1 2.97Å; R239-D247 IonicContact NH2-OD2 3.07Å; R239-V248 WeakPolarHBondContact CA-O 3.1Å; R239-C249 VanDerWaalsContact CB-SG 3.59Å
240F96.1Very high94.6Very high3 Ų330.1 Ų30.11%0.01318%0.181CC..EExtended strand (participates in β ladder)trans-129.1127.4179.1-51.6-85.8000109.5F170 L238 L242 D247 V248 L258 A261 E262 V266F170-F240 AromaticContact CZ-CD2 3.98Å; F170-F240 HydrophobicContact CZ-CD2 3.98Å; F170-F240 HydrophobicContact CZ-CE2 4.01Å; L238-F240 HydrophobicContact CB-CE2 3.68Å; L238-F240 HydrophobicContact CB-CZ 3.87Å; L238-F240 HydrophobicContact CD1-CZ 4.3Å; F240-L242 PolarHBondContact O-N 3.18Å; F240-D247 CarbonylContact O-C 3.35Å; F240-D247 WeakPolarHBondContact O-CA 3.31Å; F240-V248 HydrophobicContact CB-CG1 3.88Å; F240-V248 HydrophobicContact CD2-CG1 4.16Å; F240-V248 PolarHBondContact N-O 2.89Å; F240-V248 PolarHBondContact O-N 3.19Å; F240-L258 HydrophobicContact CD1-CD1 4.47Å; F240-L258 HydrophobicContact CE1-CD1 3.54Å; F240-L258 HydrophobicContact CE1-CG 4.4Å; F240-L258 HydrophobicContact CZ-CD1 3.8Å; F240-A261 HydrophobicContact CE1-CB 4.21Å; F240-A261 HydrophobicContact CE2-CB 4.14Å; F240-A261 HydrophobicContact CZ-CB 3.49Å; F240-A261 VanDerWaalsContact CZ-CB 3.49Å; F240-E262 HydrophobicContact CD1-CB 4.08Å; F240-E262 HydrophobicContact CD1-CG 4.23Å; F240-E262 HydrophobicContact CE1-CB 3.82Å; F240-E262 HydrophobicContact CE1-CG 4.45Å; F240-V266 HydrophobicContact CB-CG2 3.88Å; F240-V266 HydrophobicContact CD1-CG2 3.89Å; F240-V266 HydrophobicContact CD2-CG2 4.07Å; F240-V266 HydrophobicContact CE1-CG2 4.48Å; F240-V266 HydrophobicContact CG-CG2 3.66Å
241Q95.5Very high94.8Very high72 Ų7229.4 Ų29.434%0.33618%0.176SC..EExtended strand (participates in β ladder)trans-78.4115174.2-172.3176.710.500109.1A218 L243 D247A218-Q241 VanDerWaalsContact O-CB 3.22Å; A218-Q241 WeakPolarHBondContact O-CB 3.39Å; A218-Q241 PolarHBondContact O-N 3.26Å; Q241-L243 WeakPolarHBondContact CG-O 3.38Å; Q241-D247 WeakPolarHBondContact CA-OD1 3.07Å
242L94.3Very high94.8Very high32 Ų3228.4 Ų28.417%0.16817%0.169CC..EExtended strand (participates in β ladder)trans-86.3-44.6178.1-57.1-179000110.8L181 F240 A246 V248 V266 W270 L277L181-L242 HydrophobicContact CD1-CD1 3.87Å; F240-L242 PolarHBondContact O-N 3.18Å; L242-A246 PolarHBondContact N-O 2.83Å; L242-V248 HydrophobicContact CD1-CB 4.05Å; L242-V248 HydrophobicContact CD1-CG1 4.13Å; L242-V248 HydrophobicContact CD2-CG1 3.77Å; L242-V248 HydrophobicContact CG-CB 4.36Å; L242-V248 HydrophobicContact CG-CG1 4.01Å; L242-V266 HydrophobicContact CD2-CG1 3.59Å; L242-W270 HydrophobicContact CD1-CB 4.16Å; L242-W270 HydrophobicContact CD1-CD2 3.39Å; L242-W270 HydrophobicContact CD1-CE3 3.54Å; L242-W270 HydrophobicContact CD1-CG 3.67Å; L242-W270 HydrophobicContact CD1-CZ2 4.44Å; L242-W270 HydrophobicContact CD1-CZ3 4.11Å; L242-W270 HydrophobicContact CD2-CB 3.87Å; L242-W270 HydrophobicContact CD2-CD2 4.24Å; L242-W270 HydrophobicContact CD2-CG 3.64Å; L242-W270 HydrophobicContact CG-CD2 4.47Å; L242-W270 HydrophobicContact CG-CG 4.31Å; L242-L277 HydrophobicContact CB-CD1 4.16Å; L242-L277 HydrophobicContact CD1-CD1 3.93Å; L242-L277 HydrophobicContact CD1-CD2 4.43Å
243L93.4Very high94.6Very high34 Ų3426.9 Ų26.918%0.17817%0.167CC..EExtended strand (participates in β ladder)trans-144162.9175.9-65.6174000108.8Q241 G245 A246 L277 R278 L281Q241-L243 WeakPolarHBondContact CG-O 3.38Å; L243-G245 PolarHBondContact O-N 3.42Å; L243-A246 HydrophobicContact CB-CB 4.14Å; L243-A246 PolarHBondContact N-O 3.24Å; L243-A246 PolarHBondContact O-N 3.23Å; L243-L277 HydrophobicContact CD1-CB 3.73Å; L243-L277 HydrophobicContact CD1-CD1 4.49Å; L243-R278 HydrophobicContact CD1-CG 4.04Å; L243-L281 HydrophobicContact CB-CD1 3.89Å; L243-L281 HydrophobicContact CD1-CD1 3.65Å; L243-L281 HydrophobicContact CG-CD1 4.44Å
244P91.1Very high94.4Very high109 Ų10928.4 Ų28.471%0.70818%0.178SC*.THydrogen-bonded Turntrans-54.4112.5168.5-25.836.1000111.3L281P244-L281 WeakPolarHBondContact O-CD2 3.37Å
245G89.2Confident94.1Very high28 Ų2829.5 Ų29.529%0.28918%0.179SC..THydrogen-bonded Turntrans874.3-176.500000115.7V183 H184 L243V183-G245 CarbonylContact C-O 3Å; V183-G245 VanDerWaalsContact CA-O 3.31Å; V183-G245 WeakPolarHBondContact CA-O 3.33Å; H184-G245 PolarHBondContact N-O 3.39Å; L243-G245 PolarHBondContact O-N 3.42Å
246A94Very high93.9Very high0 Ų027.8 Ų27.80%017%0.172CC..EExtended strand (participates in β ladder)trans-127.5122.8173.100000111.3F182 V183 L242 L243 L281F182-A246 CarbonylContact O-C 3.51Å; F182-A246 VanDerWaalsContact O-CA 3.31Å; F182-A246 WeakPolarHBondContact O-CA 3.44Å; V183-A246 HydrophobicContact CG2-CB 4.08Å; L242-A246 PolarHBondContact N-O 2.83Å; L243-A246 HydrophobicContact CB-CB 4.14Å; L243-A246 PolarHBondContact N-O 3.24Å; L243-A246 PolarHBondContact O-N 3.23Å; A246-L281 HydrophobicContact CB-CD1 4.39Å; A246-L281 HydrophobicContact CB-CD2 4.26Å; A246-L281 HydrophobicContact CB-CG 4.43Å
247D95Very high93.8Very high7 Ų728.4 Ų28.44%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-130.6136.3-173.6-63.4-62.2000110.3F182 S213 R239 F240 Q241F182-D247 HydrophobicContact CB-CB 4.26Å; F182-D247 PolarHBondContact N-O 2.83Å; F182-D247 PolarHBondContact O-N 2.89Å; S213-D247 PolarHBondContact OG-OD2 3.35Å; R239-D247 HydrophobicContact CG-CB 4.22Å; R239-D247 IonicContact CZ-OD1 2.66Å; R239-D247 IonicContact NE-OD1 3.63Å; R239-D247 PolarHBondContact NE-OD1 3.44Å; R239-D247 IonicContact NE-OD2 3.16Å; R239-D247 IonicContact NH2-OD1 3.09Å; R239-D247 PolarHBondContact NH2-OD1 2.97Å; R239-D247 IonicContact NH2-OD2 3.07Å; F240-D247 CarbonylContact O-C 3.35Å; F240-D247 WeakPolarHBondContact O-CA 3.31Å; Q241-D247 WeakPolarHBondContact CA-OD1 3.07Å
248V96.6Very high93.6Very high0 Ų030.3 Ų30.30%019%0.194CC..EExtended strand (participates in β ladder)trans-102.6138.2166.762.10000109.2F170 R239 F240 L242 W270F170-V248 HydrophobicContact CD1-CG2 3.77Å; F170-V248 HydrophobicContact CE1-CG1 4.31Å; F170-V248 HydrophobicContact CE1-CG2 3.71Å; F170-V248 HydrophobicContact CZ-CG1 4.25Å; F170-V248 HydrophobicContact CZ-CG2 4.43Å; R239-V248 WeakPolarHBondContact CA-O 3.1Å; F240-V248 HydrophobicContact CB-CG1 3.88Å; F240-V248 HydrophobicContact CD2-CG1 4.16Å; F240-V248 PolarHBondContact N-O 2.89Å; F240-V248 PolarHBondContact O-N 3.19Å; L242-V248 HydrophobicContact CD1-CB 4.05Å; L242-V248 HydrophobicContact CD1-CG1 4.13Å; L242-V248 HydrophobicContact CD2-CG1 3.77Å; L242-V248 HydrophobicContact CG-CB 4.36Å; L242-V248 HydrophobicContact CG-CG1 4.01Å; V248-W270 HydrophobicContact CB-CZ2 3.9Å; V248-W270 HydrophobicContact CG2-CH2 4.39Å; V248-W270 HydrophobicContact CG2-CZ2 3.47Å; V248-W270 VanDerWaalsContact CG2-CZ2 3.47Å
249C96.8Very high93.5Very high0 Ų037.6 Ų37.60%023%0.228CC..EExtended strand (participates in β ladder)trans-125.7148.1175.9-55.10000111.3G179 C180 F182 L237 L238 R239G179-C249 WeakPolarHBondContact CA-O 3.07Å; C180-C249 PolarHBondContact N-O 2.9Å; C180-C249 PolarHBondContact O-N 2.74Å; F182-C249 HydrophobicContact CD2-CB 4.4Å; F182-C249 HydrophobicContact CE2-CB 4.14Å; L237-C249 HydrophobicContact CD1-CB 3.91Å; L238-C249 CarbonylContact O-C 3.58Å; L238-C249 VanDerWaalsContact O-CA 3.22Å; L238-C249 WeakPolarHBondContact O-CA 3.25Å; R239-C249 VanDerWaalsContact CB-SG 3.59Å
250V96.9Very high93.3Very high0 Ų042.4 Ų42.40%025%0.249CC..EExtended strand (participates in β ladder)trans-137.8135.9171.761.70000109.6F170 A174 S176 F178 L238F170-V250 HydrophobicContact CE1-CB 4.15Å; F170-V250 HydrophobicContact CE1-CG1 4.08Å; A174-V250 HydrophobicContact CB-CG1 4.39Å; A174-V250 HydrophobicContact CB-CG2 4.15Å; S176-V250 VanDerWaalsContact CB-CG2 3.43Å; S176-V250 WeakPolarHBondContact OG-CG2 3.23Å; F178-V250 CarbonylContact O-C 3.59Å; F178-V250 VanDerWaalsContact O-CA 3.29Å; F178-V250 WeakPolarHBondContact O-CA 3.27Å; F178-V250 WeakPolarHBondContact O-CG2 3.48Å; L238-V250 HydrophobicContact CB-CG1 3.81Å; L238-V250 HydrophobicContact CD1-CG1 4.26Å; L238-V250 HydrophobicContact CG-CG1 4.33Å; L238-V250 PolarHBondContact N-O 3.34Å; L238-V250 PolarHBondContact O-N 3.33Å
251L96.2Very high93.2Very high5 Ų542.2 Ų42.23%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-94.9107.3170.2-68.8168.5000108.3S176 F178 W194 L197 L205 V224 L226 R236 L237S176-L251 WeakPolarHBondContact CB-O 3.18Å; S176-L251 PolarHBondContact OG-O 3.48Å; F178-L251 HydrophobicContact CB-CB 3.78Å; F178-L251 HydrophobicContact CB-CD1 4.31Å; F178-L251 HydrophobicContact CB-CG 4.48Å; F178-L251 HydrophobicContact CG-CB 4.45Å; F178-L251 PolarHBondContact O-N 2.98Å; W194-L251 HydrophobicContact CE3-CD1 4.17Å; W194-L251 HydrophobicContact CH2-CD1 4.04Å; W194-L251 HydrophobicContact CH2-CG 4.25Å; W194-L251 HydrophobicContact CZ3-CD1 3.58Å; W194-L251 HydrophobicContact CZ3-CG 3.7Å; L197-L251 HydrophobicContact CD1-CD1 4.26Å; L205-L251 HydrophobicContact CD1-CD1 4.05Å; L205-L251 HydrophobicContact CD2-CD2 4.43Å; V224-L251 HydrophobicContact CG2-CD2 3.37Å; L226-L251 HydrophobicContact CD2-CD1 4.4Å; R236-L251 WeakPolarHBondContact O-CA 3.48Å; L237-L251 HydrophobicContact CB-CD2 3.88Å; L237-L251 HydrophobicContact CD1-CD2 3.68Å; L237-L251 HydrophobicContact CD1-CG 4.17Å; L237-L251 HydrophobicContact CG-CD2 4.37Å
252C94.3Very high93.1Very high4 Ų442.6 Ų42.63%0.02725%0.25CS..EExtended strand (participates in β ladder)trans-122.9167.5-178.567.10000111.6R236 L238 T255R236-C252 PolarHBondContact N-O 3.05Å; R236-C252 PolarHBondContact O-N 2.93Å; L238-C252 VanDerWaalsContact CD1-SG 3.56Å; C252-T255 WeakPolarHBondContact CB-O 3.36Å
253G90.6Very high92.9Very high33 Ų3346.2 Ų46.234%0.3427%0.274SS..SBendtrans-82-137.8171.600000112.1R236 T255R236-G253 WeakPolarHBondContact CD-O 3.46Å; R236-G253 PolarHBondContact NH1-O 2.86Å; G253-T255 PolarHBondContact O-N 3.2Å
254P88.1Confident92.9Very high117 Ų11749.8 Ų49.876%0.7629%0.289SS*.SBendtrans-70.4-19.2-178.129.6-35.2000113.6R236R236-P254 VanDerWaalsContact NH1-C 3.28Å; R236-P254 PolarHBondContact NH1-O 3.33Å
255T87.7Confident93Very high77 Ų7745.3 Ų45.347%0.47226%0.26SS..  trans-121.3145.9178.944.10000110C252 G253C252-T255 WeakPolarHBondContact CB-O 3.36Å; G253-T255 PolarHBondContact O-N 3.2Å
256P91.7Very high93.2Very high12 Ų1245.1 Ų45.18%0.07825%0.253CS..SBendcis-79.5172.6-3.532.9-38.2000113.9A174 R236 L238 A261A174-P256 HydrophobicContact CB-CG 4.1Å; A174-P256 WeakPolarHBondContact O-CD 3.42Å; R236-P256 PolarHBondContact NH1-O 2.91Å; R236-P256 PolarHBondContact NH2-O 3.48Å; R236-P256 VanDerWaalsContact NH2-O 3.1Å; L238-P256 HydrophobicContact CD1-CG 4.2Å; P256-A261 HydrophobicContact CB-CB 4.46Å; P256-A261 HydrophobicContact CG-CB 3.97Å
257S93.1Very high93.1Very high61 Ų6146.6 Ų46.643%0.42727%0.268SS..  trans-75.6152.1166.267.90000110.6Q259 K260 A261S257-Q259 VanDerWaalsContact C-N 3.32Å; S257-Q259 PolarHBondContact O-N 3.43Å; S257-K260 PolarHBondContact O-N 3.46Å; S257-K260 VanDerWaalsContact OG-CB 3.27Å; S257-K260 WeakPolarHBondContact OG-CB 3.34Å; S257-K260 PolarHBondContact OG-N 2.94Å; S257-A261 PolarHBondContact O-N 2.72Å
258L93.6Very high93.1Very high40 Ų4055 Ų5521%0.20930%0.299CS..Hα-helixtrans-54.3-47.9-179.6-17669000111.9D221 L238 F240 K260 A261 E262D221-L258 HydrophobicContact CB-CB 4.41Å; D221-L258 HydrophobicContact CB-CD1 4.26Å; D221-L258 HydrophobicContact CB-CD2 4.22Å; L238-L258 HydrophobicContact CD2-CD1 4.19Å; F240-L258 HydrophobicContact CD1-CD1 4.47Å; F240-L258 HydrophobicContact CE1-CD1 3.54Å; F240-L258 HydrophobicContact CE1-CG 4.4Å; F240-L258 HydrophobicContact CZ-CD1 3.8Å; L258-K260 PolarHBondContact O-N 3.34Å; L258-A261 PolarHBondContact O-N 3.4Å; L258-E262 WeakPolarHBondContact O-CB 3.46Å; L258-E262 PolarHBondContact O-N 2.94Å
259Q92.6Very high93Very high154 Ų15456.9 Ų56.972%0.7231%0.308SS*.Hα-helixtrans-63.3-40.4-179.3-69.6-179.9-1500112.9S257 E262 T263S257-Q259 VanDerWaalsContact C-N 3.32Å; S257-Q259 PolarHBondContact O-N 3.43Å; Q259-E262 PolarHBondContact O-N 3.41Å; Q259-T263 WeakPolarHBondContact O-CB 3.32Å; Q259-T263 WeakPolarHBondContact O-CG2 3.31Å; Q259-T263 PolarHBondContact O-N 2.84Å; Q259-T263 PolarHBondContact O-OG1 3.03Å
260K92.3Very high92.9Very high102 Ų10257.2 Ų57.244%0.44331%0.309SS..Hα-helixtrans-66-46.3179.1-174.8-177.3179-174.80110.7S257 L258 E262 T263 E264S257-K260 PolarHBondContact O-N 3.46Å; S257-K260 VanDerWaalsContact OG-CB 3.27Å; S257-K260 WeakPolarHBondContact OG-CB 3.34Å; S257-K260 PolarHBondContact OG-N 2.94Å; L258-K260 PolarHBondContact O-N 3.34Å; K260-E262 PolarHBondContact O-N 3.17Å; K260-T263 PolarHBondContact O-N 3.45Å; K260-T263 PolarHBondContact O-OG1 2.91Å; K260-E264 WeakPolarHBondContact CE-OE2 3.26Å; K260-E264 HydrophobicContact CG-CG 4.37Å; K260-E264 WeakPolarHBondContact CG-OE2 3.33Å; K260-E264 WeakPolarHBondContact O-CB 3.46Å; K260-E264 PolarHBondContact O-N 3.34Å
261A93.7Very high92.7Very high0 Ų060.4 Ų60.40%033%0.332CS..Iπ-helixtrans-62.1-43.5177.600000111.8L238 F240 P256 S257 L258 L265 V266L238-A261 HydrophobicContact CD1-CB 4.47Å; F240-A261 HydrophobicContact CE1-CB 4.21Å; F240-A261 HydrophobicContact CE2-CB 4.14Å; F240-A261 HydrophobicContact CZ-CB 3.49Å; F240-A261 VanDerWaalsContact CZ-CB 3.49Å; P256-A261 HydrophobicContact CB-CB 4.46Å; P256-A261 HydrophobicContact CG-CB 3.97Å; S257-A261 PolarHBondContact O-N 2.72Å; L258-A261 PolarHBondContact O-N 3.4Å; A261-L265 HydrophobicContact CB-CD1 4.24Å; A261-L265 WeakPolarHBondContact O-CA 3.32Å; A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 PolarHBondContact O-N 3.24Å; A261-V266 PolarHBondContact O-N 2.92Å
262E93.3Very high92.7Very high79 Ų7965 Ų6537%0.36936%0.362SS..Iπ-helixtrans-63.2-44.6179.4-168.1170173.300112.7S219 F240 L258 Q259 K260 V266S219-E262 WeakPolarHBondContact CB-OE2 3.44Å; S219-E262 PolarHBondContact OG-OE2 2.9Å; F240-E262 HydrophobicContact CD1-CB 4.08Å; F240-E262 HydrophobicContact CD1-CG 4.23Å; F240-E262 HydrophobicContact CE1-CB 3.82Å; F240-E262 HydrophobicContact CE1-CG 4.45Å; L258-E262 WeakPolarHBondContact O-CB 3.46Å; L258-E262 PolarHBondContact O-N 2.94Å; Q259-E262 PolarHBondContact O-N 3.41Å; K260-E262 PolarHBondContact O-N 3.17Å; E262-V266 WeakPolarHBondContact O-CB 3.18Å
263T91.1Very high92.7Very high109 Ų10966 Ų6667%0.66937%0.367SS*.Iπ-helixtrans-82.1-40.8-174.752.30000113.6Q259 K260Q259-T263 WeakPolarHBondContact O-CB 3.32Å; Q259-T263 WeakPolarHBondContact O-CG2 3.31Å; Q259-T263 PolarHBondContact O-N 2.84Å; Q259-T263 PolarHBondContact O-OG1 3.03Å; K260-T263 PolarHBondContact O-N 3.45Å; K260-T263 PolarHBondContact O-OG1 2.91Å
264E92.5Very high92.9Very high108 Ų10867.1 Ų67.151%0.50536%0.364SS..Iπ-helixtrans-95.8-38-172.7-61.8178.5-173.100113.2K260 R268K260-E264 WeakPolarHBondContact CE-OE2 3.26Å; K260-E264 HydrophobicContact CG-CG 4.37Å; K260-E264 WeakPolarHBondContact CG-OE2 3.33Å; K260-E264 WeakPolarHBondContact O-CB 3.46Å; K260-E264 PolarHBondContact O-N 3.34Å; E264-R268 WeakPolarHBondContact O-CB 3.49Å
265L93.8Very high93.1Very high16 Ų1667.6 Ų67.68%0.08436%0.356CS..Iπ-helixtrans-95.3-46.5-170.5-53.8-177.9000111.7F170 A173 A174 A261 G267 R268 F269F170-L265 HydrophobicContact CD2-CB 4.03Å; F170-L265 HydrophobicContact CE2-CB 3.69Å; A173-L265 HydrophobicContact CB-CD1 4.47Å; A173-L265 HydrophobicContact CB-CD2 3.83Å; A174-L265 HydrophobicContact CB-CD1 3.95Å; A261-L265 HydrophobicContact CB-CD1 4.24Å; A261-L265 WeakPolarHBondContact O-CA 3.32Å; A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 PolarHBondContact O-N 3.24Å; L265-G267 PolarHBondContact O-N 2.84Å; L265-R268 PolarHBondContact O-N 2.89Å; L265-F269 HydrophobicContact CD2-CE2 4.38Å; L265-F269 WeakPolarHBondContact O-CD2 3.42Å; L265-F269 PolarHBondContact O-N 2.89Å; L265-F269 VanDerWaalsContact O-N 3.14Å
266V93.8Very high93.4Very high23 Ų2365.4 Ų65.414%0.13934%0.343CS..Iπ-helixtrans-59.4-52.9-172.91740000111.5F170 F240 L242 A261 E262 R268 W270F170-V266 HydrophobicContact CE2-CG2 4.13Å; F170-V266 HydrophobicContact CZ-CG2 4.44Å; F240-V266 HydrophobicContact CB-CG2 3.88Å; F240-V266 HydrophobicContact CD1-CG2 3.89Å; F240-V266 HydrophobicContact CD2-CG2 4.07Å; F240-V266 HydrophobicContact CE1-CG2 4.48Å; F240-V266 HydrophobicContact CG-CG2 3.66Å; L242-V266 HydrophobicContact CD2-CG1 3.59Å; A261-V266 PolarHBondContact O-N 2.92Å; E262-V266 WeakPolarHBondContact O-CB 3.18Å; V266-R268 VanDerWaalsContact C-N 3.34Å; V266-R268 PolarHBondContact O-N 3.29Å; V266-W270 WeakPolarHBondContact O-CB 3.47Å; V266-W270 VanDerWaalsContact O-CD1 3.29Å; V266-W270 PolarHBondContact O-N 2.94Å
267G91.4Very high93.4Very high32 Ų3265 Ų6533%0.3334%0.34SS..Hα-helixtrans-61.7-40.6178.900000113L265 F269 S271L265-G267 PolarHBondContact O-N 2.84Å; G267-F269 PolarHBondContact O-N 3.48Å; G267-S271 WeakPolarHBondContact O-CB 3.31Å; G267-S271 PolarHBondContact O-N 3.45Å; G267-S271 VanDerWaalsContact O-N 3.16Å; G267-S271 PolarHBondContact O-OG 2.91Å
268R94.2Very high93.4Very high182 Ų18267.8 Ų67.869%0.68734%0.341SS*.Hα-helixtrans-61.4-44.2-177.5179.4179.8176-176.9-2.3113E264 L265 V266E264-R268 WeakPolarHBondContact O-CB 3.49Å; L265-R268 PolarHBondContact O-N 2.89Å; V266-R268 VanDerWaalsContact C-N 3.34Å; V266-R268 PolarHBondContact O-N 3.29Å
269F95Very high93.3Very high41 Ų4168.8 Ų68.818%0.1835%0.351CS..Hα-helixtrans-90.8-33.3-174.6-73-82.8000113.1G169 F170 A173 L265 G267G169-F269 VanDerWaalsContact C-CE1 3.46Å; G169-F269 WeakPolarHBondContact O-CZ 3.47Å; F170-F269 HydrophobicContact CB-CB 4.41Å; F170-F269 HydrophobicContact CB-CD2 4.35Å; F170-F269 HydrophobicContact CB-CG 4.2Å; F170-F269 HydrophobicContact CD2-CB 4.41Å; F170-F269 HydrophobicContact CD2-CD2 4.09Å; F170-F269 HydrophobicContact CD2-CG 4.46Å; A173-F269 HydrophobicContact CB-CE2 3.62Å; A173-F269 HydrophobicContact CB-CZ 3.75Å; L265-F269 HydrophobicContact CD2-CE2 4.38Å; L265-F269 WeakPolarHBondContact O-CD2 3.42Å; L265-F269 PolarHBondContact O-N 2.89Å; L265-F269 VanDerWaalsContact O-N 3.14Å; G267-F269 PolarHBondContact O-N 3.48Å
270W95.4Very high93.2Very high6 Ų661.5 Ų61.52%0.02332%0.317CS..Hα-helixtrans-102.9-24-169-59.7103.3000114.5L163 A166 V167 F170 L181 L242 V248 V266 P272 L273 I274 L277L163-W270 HydrophobicContact CD2-CZ3 4.4Å; A166-W270 HydrophobicContact CB-CH2 4.28Å; A166-W270 HydrophobicContact CB-CZ3 4.25Å; V167-W270 HydrophobicContact CG2-CH2 3.65Å; V167-W270 HydrophobicContact CG2-CZ2 4.11Å; F170-W270 AromaticContact CD2-NE1 3.64Å; F170-W270 AromaticContact CG-NE1 3.88Å; L181-W270 HydrophobicContact CB-CH2 4.32Å; L181-W270 HydrophobicContact CD1-CH2 3.95Å; L181-W270 HydrophobicContact CD1-CZ3 3.99Å; L181-W270 HydrophobicContact CD2-CH2 4.25Å; L181-W270 HydrophobicContact CD2-CZ3 4.07Å; L181-W270 HydrophobicContact CG-CH2 4.4Å; L242-W270 HydrophobicContact CD1-CB 4.16Å; L242-W270 HydrophobicContact CD1-CD2 3.39Å; L242-W270 HydrophobicContact CD1-CE3 3.54Å; L242-W270 HydrophobicContact CD1-CG 3.67Å; L242-W270 HydrophobicContact CD1-CZ2 4.44Å; L242-W270 HydrophobicContact CD1-CZ3 4.11Å; L242-W270 HydrophobicContact CD2-CB 3.87Å; L242-W270 HydrophobicContact CD2-CD2 4.24Å; L242-W270 HydrophobicContact CD2-CG 3.64Å; L242-W270 HydrophobicContact CG-CD2 4.47Å; L242-W270 HydrophobicContact CG-CG 4.31Å; V248-W270 HydrophobicContact CB-CZ2 3.9Å; V248-W270 HydrophobicContact CG2-CH2 4.39Å; V248-W270 HydrophobicContact CG2-CZ2 3.47Å; V248-W270 VanDerWaalsContact CG2-CZ2 3.47Å; V266-W270 WeakPolarHBondContact O-CB 3.47Å; V266-W270 VanDerWaalsContact O-CD1 3.29Å; V266-W270 PolarHBondContact O-N 2.94Å; W270-P272 VanDerWaalsContact C-CD 3.49Å; W270-L273 PolarHBondContact O-N 3.42Å; W270-I274 PolarHBondContact O-N 3.3Å; W270-L277 HydrophobicContact CE3-CD1 4.2Å; W270-L277 HydrophobicContact CE3-CD2 4.31Å; W270-L277 HydrophobicContact CZ3-CD2 4.24Å
271S93Very high93.1Very high68 Ų6858.1 Ų58.148%0.47630%0.304SS..G310 helixtrans-58.5-39.3176.9-63.10000114G267 L273 I274G267-S271 WeakPolarHBondContact O-CB 3.31Å; G267-S271 PolarHBondContact O-N 3.45Å; G267-S271 VanDerWaalsContact O-N 3.16Å; G267-S271 PolarHBondContact O-OG 2.91Å; S271-L273 PolarHBondContact O-N 3.43Å; S271-I274 WeakPolarHBondContact O-CD1 3.35Å; S271-I274 WeakPolarHBondContact O-CG1 3.27Å
272P94.8Very high92.9Very high102 Ų10262.3 Ų62.366%0.66234%0.338SS*.G310 helixtrans-66.5-20.5175.9-21.734.6000114.2W270W270-P272 VanDerWaalsContact C-CD 3.49Å
273L94.9Very high92.5Very high25 Ų2559.3 Ų59.313%0.13133%0.326CS..G310 helixtrans-105.811.7-171.2-62.6-179.3000113.7P162 L163 A166 W270 S271 E275 T276 L277P162-L273 HydrophobicContact CB-CD2 3.96Å; P162-L273 WeakPolarHBondContact O-CD1 3.5Å; L163-L273 HydrophobicContact CD2-CD1 4.41Å; A166-L273 HydrophobicContact CB-CD1 3.37Å; W270-L273 PolarHBondContact O-N 3.42Å; S271-L273 PolarHBondContact O-N 3.43Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 2.89Å; L273-T276 WeakPolarHBondContact O-CA 3.19Å; L273-T276 WeakPolarHBondContact O-CB 3.31Å; L273-T276 PolarHBondContact O-N 3.46Å; L273-L277 WeakPolarHBondContact O-CG 3.5Å; L273-L277 PolarHBondContact O-N 2.76Å
274I94.1Very high91.9Very high56 Ų5655 Ų5529%0.28730%0.302SS..Hα-helixtrans-55.2-43.4-176.8-71171.3000112.2W270 S271 T276 L277 R278W270-I274 PolarHBondContact O-N 3.3Å; S271-I274 WeakPolarHBondContact O-CD1 3.35Å; S271-I274 WeakPolarHBondContact O-CG1 3.27Å; I274-T276 VanDerWaalsContact C-N 3.34Å; I274-T276 PolarHBondContact O-N 2.87Å; I274-L277 PolarHBondContact O-N 3.28Å; I274-R278 VanDerWaalsContact CG2-CZ 3.4Å; I274-R278 VanDerWaalsContact CG2-NH2 3.35Å; I274-R278 WeakPolarHBondContact O-CG 3.43Å; I274-R278 PolarHBondContact O-N 3.44Å
275E93.6Very high91.2Very high127 Ų12755.8 Ų55.859%0.59331%0.306SS*.Hα-helixtrans-68.2-33.9178.4-59.6-55.6158.600112.5L273 R278 S279L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 2.89Å; E275-R278 PolarHBondContact O-N 2.84Å; E275-R278 IonicContact OE1-CZ 3.88Å; E275-R278 IonicContact OE1-NH1 2.62Å; E275-R278 PolarHBondContact OE1-NH1 3.27Å; E275-R278 IonicContact OE2-CZ 3.96Å; E275-R278 IonicContact OE2-NH1 2.87Å; E275-R278 PolarHBondContact OE2-NH1 3.03Å; E275-S279 WeakPolarHBondContact O-CB 3.23Å; E275-S279 PolarHBondContact O-N 3.25Å; E275-S279 PolarHBondContact O-OG 3.23Å
276T92.6Very high90.5Very high31 Ų3158.8 Ų58.819%0.1932%0.316CS..Hα-helixtrans-66.4-41.4174.3-47.70000110.5P162 L163 L273 I274 S279 C280P162-T276 HydrophobicContact CG-CG2 4.35Å; L163-T276 HydrophobicContact CD1-CG2 4.09Å; L163-T276 HydrophobicContact CD2-CG2 3.85Å; L163-T276 HydrophobicContact CG-CG2 3.87Å; L273-T276 WeakPolarHBondContact O-CA 3.19Å; L273-T276 WeakPolarHBondContact O-CB 3.31Å; L273-T276 PolarHBondContact O-N 3.46Å; I274-T276 VanDerWaalsContact C-N 3.34Å; I274-T276 PolarHBondContact O-N 2.87Å; T276-S279 WeakPolarHBondContact O-CB 3.43Å; T276-S279 PolarHBondContact O-N 2.99Å; T276-C280 PolarHBondContact O-N 2.79Å; T276-C280 PolarHBondContact O-SG 3.38Å
277L93.2Very high90.1Very high2 Ų257.7 Ų57.71%0.0131%0.31CS..Hα-helixtrans-63.8-42.6174.9-67.2172.8000111.7L163 L181 L242 L243 W270 L273 I274 S279 C280 L281L163-L277 HydrophobicContact CD2-CD2 4.02Å; L181-L277 HydrophobicContact CD1-CD2 4.09Å; L181-L277 HydrophobicContact CD2-CD2 3.88Å; L242-L277 HydrophobicContact CB-CD1 4.16Å; L242-L277 HydrophobicContact CD1-CD1 3.93Å; L242-L277 HydrophobicContact CD1-CD2 4.43Å; L243-L277 HydrophobicContact CD1-CB 3.73Å; L243-L277 HydrophobicContact CD1-CD1 4.49Å; W270-L277 HydrophobicContact CE3-CD1 4.2Å; W270-L277 HydrophobicContact CE3-CD2 4.31Å; W270-L277 HydrophobicContact CZ3-CD2 4.24Å; L273-L277 WeakPolarHBondContact O-CG 3.5Å; L273-L277 PolarHBondContact O-N 2.76Å; I274-L277 PolarHBondContact O-N 3.28Å; L277-S279 VanDerWaalsContact C-N 3.3Å; L277-S279 PolarHBondContact O-N 3.18Å; L277-C280 WeakPolarHBondContact O-CB 3.41Å; L277-C280 PolarHBondContact O-N 2.99Å; L277-C280 VanDerWaalsContact O-N 3.15Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.32Å
278R93.2Very high89.9Confident120 Ų12056.3 Ų56.345%0.45330%0.295SS..Hα-helixtrans-61.1-39.7173.1-71.1-172.7-167.2124.42112.2L243 I274 E275 C280 L281 A282L243-R278 HydrophobicContact CD1-CG 4.04Å; I274-R278 VanDerWaalsContact CG2-CZ 3.4Å; I274-R278 VanDerWaalsContact CG2-NH2 3.35Å; I274-R278 WeakPolarHBondContact O-CG 3.43Å; I274-R278 PolarHBondContact O-N 3.44Å; E275-R278 PolarHBondContact O-N 2.84Å; E275-R278 IonicContact OE1-CZ 3.88Å; E275-R278 IonicContact OE1-NH1 2.62Å; E275-R278 PolarHBondContact OE1-NH1 3.27Å; E275-R278 IonicContact OE2-CZ 3.96Å; E275-R278 IonicContact OE2-NH1 2.87Å; E275-R278 PolarHBondContact OE2-NH1 3.03Å; R278-C280 VanDerWaalsContact C-N 3.29Å; R278-C280 PolarHBondContact O-N 3.47Å; R278-L281 PolarHBondContact O-N 3.46Å; R278-A282 WeakPolarHBondContact O-CB 3.37Å; R278-A282 PolarHBondContact O-N 2.95Å
279S90.6Very high89.4Confident61 Ų6147.9 Ų47.943%0.42726%0.264SS..Hα-helixtrans-62.8-37.4174.8-55.10000111.8E275 T276 L277 A282 V283E275-S279 WeakPolarHBondContact O-CB 3.23Å; E275-S279 PolarHBondContact O-N 3.25Å; E275-S279 PolarHBondContact O-OG 3.23Å; T276-S279 WeakPolarHBondContact O-CB 3.43Å; T276-S279 PolarHBondContact O-N 2.99Å; L277-S279 VanDerWaalsContact C-N 3.3Å; L277-S279 PolarHBondContact O-N 3.18Å; S279-A282 PolarHBondContact O-N 3.49Å; S279-V283 PolarHBondContact O-N 3.34Å
280C90.4Very high88.6Confident1 Ų149.1 Ų49.11%0.00729%0.288CS..Hα-helixtrans-69.2-41174.4-63.10000112.2P157 L163 V183 T276 L277 R278 A282 V283P157-C280 VanDerWaalsContact CB-SG 3.59Å; L163-C280 VanDerWaalsContact CD1-SG 3.53Å; V183-C280 HydrophobicContact CG2-CB 4.26Å; T276-C280 PolarHBondContact O-N 2.79Å; T276-C280 PolarHBondContact O-SG 3.38Å; L277-C280 WeakPolarHBondContact O-CB 3.41Å; L277-C280 PolarHBondContact O-N 2.99Å; L277-C280 VanDerWaalsContact O-N 3.15Å; R278-C280 VanDerWaalsContact C-N 3.29Å; R278-C280 PolarHBondContact O-N 3.47Å; C280-A282 PolarHBondContact O-N 3.46Å; C280-V283 VanDerWaalsContact O-CB 3.29Å; C280-V283 WeakPolarHBondContact O-CB 3.29Å; C280-V283 PolarHBondContact O-N 3.12Å; C280-V283 VanDerWaalsContact O-N 3.16Å
281L90.5Very high87.9Confident32 Ų3252.9 Ų52.917%0.16832%0.315CS..Hα-helixtrans-60.7-35.5174.8-75.3163.1000111.8V183 H184 L243 P244 A246 L277 R278 V283 G284V183-L281 HydrophobicContact CG1-CD2 3.87Å; V183-L281 HydrophobicContact CG1-CG 4.32Å; H184-L281 PolarHBondContact NE2-O 3.18Å; H184-L281 VanDerWaalsContact NE2-O 3.12Å; L243-L281 HydrophobicContact CB-CD1 3.89Å; L243-L281 HydrophobicContact CD1-CD1 3.65Å; L243-L281 HydrophobicContact CG-CD1 4.44Å; P244-L281 WeakPolarHBondContact O-CD2 3.37Å; A246-L281 HydrophobicContact CB-CD1 4.39Å; A246-L281 HydrophobicContact CB-CD2 4.26Å; A246-L281 HydrophobicContact CB-CG 4.43Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.32Å; R278-L281 PolarHBondContact O-N 3.46Å; L281-V283 VanDerWaalsContact C-N 3.3Å; L281-V283 PolarHBondContact O-N 2.87Å; L281-G284 WeakPolarHBondContact O-CA 3.28Å; L281-G284 PolarHBondContact O-N 3.04Å; L281-G284 VanDerWaalsContact O-N 3.08Å
282A88.7Confident87.5Confident87 Ų8749.6 Ų49.672%0.71929%0.292SS*.Hα-helixtrans-69.8-21.4177.800000114R278 S279 C280 G284R278-A282 WeakPolarHBondContact O-CB 3.37Å; R278-A282 PolarHBondContact O-N 2.95Å; S279-A282 PolarHBondContact O-N 3.49Å; C280-A282 PolarHBondContact O-N 3.46Å; A282-G284 PolarHBondContact O-N 3.02Å
283V85.6Confident87Confident17 Ų1748.4 Ų48.410%0.10329%0.285CS..Hα-helixtrans-59.7-33.6168.41760000110.3L155 P158 S279 C280 L281 R286 L288L155-V283 HydrophobicContact CD1-CB 4.24Å; L155-V283 HydrophobicContact CD1-CG1 4.07Å; L155-V283 HydrophobicContact CD2-CB 4.27Å; L155-V283 HydrophobicContact CD2-CG1 4.22Å; L155-V283 HydrophobicContact CG-CB 4.48Å; L155-V283 HydrophobicContact CG-CG1 4.05Å; P158-V283 HydrophobicContact CG-CG2 4.14Å; S279-V283 PolarHBondContact O-N 3.34Å; C280-V283 VanDerWaalsContact O-CB 3.29Å; C280-V283 WeakPolarHBondContact O-CB 3.29Å; C280-V283 PolarHBondContact O-N 3.12Å; C280-V283 VanDerWaalsContact O-N 3.16Å; L281-V283 VanDerWaalsContact C-N 3.3Å; L281-V283 PolarHBondContact O-N 2.87Å; V283-R286 WeakPolarHBondContact O-CB 3.37Å; V283-R286 PolarHBondContact O-N 3.25Å; V283-L288 WeakPolarHBondContact CG1-O 3.39Å
284G79.5Confident86.5Confident17 Ų1748.3 Ų48.318%0.17528%0.284CS..G310 helixtrans55.7-142.4173.200000112.6L281 A282 R286 C287L281-G284 WeakPolarHBondContact O-CA 3.28Å; L281-G284 PolarHBondContact O-N 3.04Å; L281-G284 VanDerWaalsContact O-N 3.08Å; A282-G284 PolarHBondContact O-N 3.02Å; G284-R286 PolarHBondContact O-N 2.96Å; G284-C287 PolarHBondContact O-N 3.38Å
285E76Confident86.1Confident125 Ų12551 Ų5158%0.58429%0.29SS*.G310 helixtrans-74.7-9.8-175.9-56.1-179.9126.400113.8C287 K330E285-C287 VanDerWaalsContact C-N 3.26Å; E285-C287 PolarHBondContact O-N 2.93Å; E285-C287 PolarHBondContact O-SG 3.05Å; E285-C287 VanDerWaalsContact O-SG 3.39Å; E285-K330 IonicContact OE1-NZ 2.72Å; E285-K330 PolarHBondContact OE1-NZ 3.11Å; E285-K330 IonicContact OE2-NZ 3.28Å; E285-K330 PolarHBondContact OE2-NZ 3.35Å
286R80.3Confident85.7Confident79 Ų7949.1 Ų49.130%0.29829%0.289SS..G310 helixtrans-68.4-28.9175.7-168.1-177.6179.1-164.4-7.8111.5V283 G284 L288 V292 C314V283-R286 WeakPolarHBondContact O-CB 3.37Å; V283-R286 PolarHBondContact O-N 3.25Å; G284-R286 PolarHBondContact O-N 2.96Å; R286-L288 HydrophobicContact CG-CB 4.49Å; R286-L288 PolarHBondContact O-N 3.24Å; R286-V292 PolarHBondContact NH2-O 3.3Å; R286-C314 VanDerWaalsContact O-CB 3.23Å; R286-C314 WeakPolarHBondContact O-CB 3.42Å; R286-C314 PolarHBondContact O-SG 3.06Å; R286-C314 VanDerWaalsContact O-SG 3.4Å
287C85.3Confident85.5Confident1 Ų148.4 Ų48.41%0.00728%0.284CS..  trans56.95.5177.9-54.40000116.2V156 R186 G284 E285 V312V156-C287 PolarHBondContact N-O 3.22Å; R186-C287 VanDerWaalsContact CD-SG 3.55Å; R186-C287 PolarHBondContact NE-SG 2.89Å; R186-C287 PolarHBondContact NH1-SG 3.33Å; G284-C287 PolarHBondContact O-N 3.38Å; E285-C287 VanDerWaalsContact C-N 3.26Å; E285-C287 PolarHBondContact O-N 2.93Å; E285-C287 PolarHBondContact O-SG 3.05Å; E285-C287 VanDerWaalsContact O-SG 3.39Å; C287-V312 HydrophobicContact CB-CG1 4.1Å
288L86.4Confident85.4Confident3 Ų348.4 Ų48.42%0.01629%0.285CS..SBendtrans-127.4139.8177-69.8169.7000108.3V156 V283 R286 V292 L294 L301 V312 I425V156-L288 HydrophobicContact CG2-CD2 4.29Å; V283-L288 WeakPolarHBondContact CG1-O 3.39Å; R286-L288 HydrophobicContact CG-CB 4.49Å; R286-L288 PolarHBondContact O-N 3.24Å; L288-V292 HydrophobicContact CB-CG2 4.44Å; L288-V292 HydrophobicContact CD1-CG1 4.49Å; L288-L294 HydrophobicContact CD1-CD1 4.25Å; L288-L294 HydrophobicContact CD1-CD2 4.46Å; L288-L301 HydrophobicContact CD1-CD1 4.31Å; L288-L301 HydrophobicContact CD1-CD2 4.28Å; L288-V312 HydrophobicContact CD2-CG1 3.78Å; L288-V312 HydrophobicContact CG-CG1 3.9Å; L288-I425 HydrophobicContact CD1-CD1 4.32Å; L288-I425 HydrophobicContact CD1-CG1 4.37Å; L288-I425 HydrophobicContact CD2-CG2 4.07Å
289P84.7Confident85.3Confident4 Ų443.4 Ų43.43%0.02627%0.267CS..  trans-65.6156.9-179.627-32.3000111.2V156 P158 S291 V292 T429V156-P289 HydrophobicContact CG1-CG 4.4Å; P158-P289 HydrophobicContact CB-CB 4.3Å; P158-P289 HydrophobicContact CG-CB 4.12Å; P289-S291 PolarHBondContact O-N 3.41Å; P289-V292 HydrophobicContact CG-CG2 3.99Å; P289-V292 PolarHBondContact O-N 3.05Å; P289-T429 HydrophobicContact CG-CG2 4.28Å
290G78.9Confident85.4Confident67 Ų6740.5 Ų40.569%0.69125%0.247SC*.THydrogen-bonded Turntrans-56.3-23.8178.800000114.6V292G290-V292 VanDerWaalsContact C-N 3.29Å; G290-V292 PolarHBondContact O-N 3.26Å
291S80.3Confident85.6Confident85 Ų8540.5 Ų40.559%0.59425%0.247SC*.THydrogen-bonded Turntrans-67.3-23.8177.7510000114P289 P293P289-S291 PolarHBondContact O-N 3.41Å; S291-P293 VanDerWaalsContact O-CD 3.24Å; S291-P293 WeakPolarHBondContact O-CD 3.41Å
292V84.1Confident85.8Confident0 Ų039 Ų390%024%0.239CC..SBendtrans-76.1114.4177.5179.10000108.3R286 L288 P289 G290 L294 I425 A428 T429R286-V292 PolarHBondContact NH2-O 3.3Å; L288-V292 HydrophobicContact CB-CG2 4.44Å; L288-V292 HydrophobicContact CD1-CG1 4.49Å; P289-V292 HydrophobicContact CG-CG2 3.99Å; P289-V292 PolarHBondContact O-N 3.05Å; G290-V292 VanDerWaalsContact C-N 3.29Å; G290-V292 PolarHBondContact O-N 3.26Å; V292-L294 HydrophobicContact CG1-CD2 4.29Å; V292-L294 HydrophobicContact CG1-CG 4.47Å; V292-L294 PolarHBondContact O-N 2.8Å; V292-I425 HydrophobicContact CG1-CB 4.49Å; V292-I425 HydrophobicContact CG1-CG1 3.73Å; V292-A428 HydrophobicContact CG2-CB 3.81Å; V292-T429 HydrophobicContact CG2-CG2 3.7Å
293P83.6Confident86.1Confident77 Ų7735 Ų3550%0.521%0.205SC..  trans-73.3112.8175.930.3-31.7000108.8S291 D424S291-P293 VanDerWaalsContact O-CD 3.24Å; S291-P293 WeakPolarHBondContact O-CD 3.41Å; P293-D424 HydrophobicContact CG-CB 4.2Å
294L84.4Confident86.5Confident23 Ų2334.3 Ų34.312%0.1220%0.201CC..  trans-99.8130.7167.7-67.4177.3000108.5L288 V292 L301 T421L288-L294 HydrophobicContact CD1-CD1 4.25Å; L288-L294 HydrophobicContact CD1-CD2 4.46Å; V292-L294 HydrophobicContact CG1-CD2 4.29Å; V292-L294 HydrophobicContact CG1-CG 4.47Å; V292-L294 PolarHBondContact O-N 2.8Å; L294-L301 HydrophobicContact CD1-CD2 4.32Å; L294-L301 HydrophobicContact CD2-CD2 3.72Å; L294-T421 HydrophobicContact CD2-CG2 4.08Å
295R85.9Confident87.1Confident111 Ų11134 Ų3442%0.41920%0.195SC..  trans-66.8146.6177.7-60.317151.185.81.7110.2D297 V298R295-D297 WeakPolarHBondContact CB-OD1 3.31Å; R295-D297 IonicContact CZ-OD1 4Å; R295-D297 IonicContact CZ-OD2 2.67Å; R295-D297 IonicContact NE-OD1 3.71Å; R295-D297 PolarHBondContact NE-OD1 2.85Å; R295-D297 IonicContact NE-OD2 2.87Å; R295-D297 PolarHBondContact NE-OD2 2.67Å; R295-D297 IonicContact NH2-OD1 2.74Å; R295-D297 IonicContact NH2-OD2 3.88Å; R295-D297 PolarHBondContact NH2-OD2 2.86Å; R295-D297 PolarHBondContact O-N 3.15Å; R295-V298 HydrophobicContact CB-CG2 4.22Å; R295-V298 PolarHBondContact O-N 2.72Å; R295-V298 VanDerWaalsContact O-N 3.16Å
296P85.9Confident87.8Confident88 Ų8832.5 Ų32.557%0.57118%0.184SC*.THydrogen-bonded Turntrans-68.2-15.2-177.928.2-36000114
297D88.6Confident88.2Confident16 Ų1634.8 Ų34.89%0.08620%0.198CC..THydrogen-bonded Turntrans-84.6-9176.859.3-14.2000113.7R295 V405 L406 V409R295-D297 WeakPolarHBondContact CB-OD1 3.31Å; R295-D297 IonicContact CZ-OD1 4Å; R295-D297 IonicContact CZ-OD2 2.67Å; R295-D297 IonicContact NE-OD1 3.71Å; R295-D297 PolarHBondContact NE-OD1 2.85Å; R295-D297 IonicContact NE-OD2 2.87Å; R295-D297 PolarHBondContact NE-OD2 2.67Å; R295-D297 IonicContact NH2-OD1 2.74Å; R295-D297 IonicContact NH2-OD2 3.88Å; R295-D297 PolarHBondContact NH2-OD2 2.86Å; R295-D297 PolarHBondContact O-N 3.15Å; D297-V405 CarbonylContact O-C 3.53Å; D297-V405 WeakPolarHBondContact O-CA 3.45Å; D297-V405 WeakPolarHBondContact O-CB 3.34Å; D297-L406 HydrophobicContact CB-CD1 4.46Å; D297-L406 PolarHBondContact O-N 3.03Å; D297-V409 HydrophobicContact CB-CG2 3.63Å; D297-V409 WeakPolarHBondContact OD2-CG2 3.14Å
298V90.3Very high88.3Confident2 Ų237.4 Ų37.41%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-80.4122.7174175.20000109.9R295 L301 L403 V405R295-V298 HydrophobicContact CB-CG2 4.22Å; R295-V298 PolarHBondContact O-N 2.72Å; R295-V298 VanDerWaalsContact O-N 3.16Å; V298-L301 HydrophobicContact CG1-CD2 4.49Å; V298-L403 HydrophobicContact CB-CD1 4.35Å; V298-L403 HydrophobicContact CG1-CD1 3.5Å; V298-L403 VanDerWaalsContact CG1-CD1 3.5Å; V298-L403 HydrophobicContact CG2-CD1 3.97Å; V298-V405 HydrophobicContact CG2-CG1 4.35Å
299L91Very high88.4Confident15 Ų1542.3 Ų42.38%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-91.9-44178.3-66.7175.2000112V315 Q316 L328 C389 L404 L406L299-V315 WeakPolarHBondContact O-CA 3.48Å; L299-Q316 PolarHBondContact O-N 3.5Å; L299-L328 HydrophobicContact CD1-CD1 3.94Å; L299-C389 HydrophobicContact CD1-CB 4.05Å; L299-L404 HydrophobicContact CB-CB 4.16Å; L299-L404 PolarHBondContact N-O 3.45Å; L299-L406 HydrophobicContact CD1-CD2 4.25Å; L299-L406 HydrophobicContact CD2-CD2 3.71Å; L299-L406 HydrophobicContact CD2-CG 4.08Å; L299-L406 HydrophobicContact CG-CD2 4.21Å; L299-L406 HydrophobicContact CG-CG 4.28Å
300A92.4Very high88.8Confident1 Ų144.2 Ų44.21%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-156.4154.4-178.900000111C314 V315 C333 L337 L404A300-C314 CarbonylContact C-O 3.58Å; A300-C314 VanDerWaalsContact CA-O 3.22Å; A300-C314 WeakPolarHBondContact CA-O 3.29Å; A300-V315 HydrophobicContact CB-CG2 3.74Å; A300-C333 HydrophobicContact CB-CB 4.46Å; A300-L337 HydrophobicContact CB-CD2 4.18Å; A300-L404 HydrophobicContact CB-CB 4.11Å; A300-L404 HydrophobicContact CB-CD1 3.98Å; A300-L404 HydrophobicContact CB-CG 4.18Å; A300-L404 PolarHBondContact N-O 2.84Å; A300-L404 PolarHBondContact O-N 2.82Å
301L94.4Very high89.5Confident1 Ų141 Ų411%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-143.7153.4173.264.986.8000111.9L288 L294 V298 S313 C314 F401 F402 L403 I425L288-L301 HydrophobicContact CD1-CD1 4.31Å; L288-L301 HydrophobicContact CD1-CD2 4.28Å; L294-L301 HydrophobicContact CD1-CD2 4.32Å; L294-L301 HydrophobicContact CD2-CD2 3.72Å; V298-L301 HydrophobicContact CG1-CD2 4.49Å; L301-S313 WeakPolarHBondContact O-CA 3.32Å; L301-C314 HydrophobicContact CD1-CB 4.11Å; L301-C314 HydrophobicContact CG-CB 4.01Å; L301-C314 PolarHBondContact N-O 3.25Å; L301-C314 PolarHBondContact O-N 3.48Å; L301-F401 HydrophobicContact CB-CE2 4Å; L301-F401 HydrophobicContact CB-CZ 4.29Å; L301-F402 CarbonylContact C-O 3.5Å; L301-F402 VanDerWaalsContact CA-O 3.25Å; L301-F402 WeakPolarHBondContact CA-O 3.07Å; L301-L403 HydrophobicContact CB-CD1 3.97Å; L301-I425 HydrophobicContact CD2-CD1 4.05Å
302L95.1Very high90.1Very high1 Ų137 Ų371%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-132.3120166167.564.2000107.8L145 T149 I304 V312 L337 Y341 F401 F402L145-L302 HydrophobicContact CD1-CD1 4.08Å; L145-L302 HydrophobicContact CD1-CD2 4.06Å; L145-L302 HydrophobicContact CD1-CG 4.46Å; T149-L302 HydrophobicContact CG2-CD1 4.44Å; T149-L302 HydrophobicContact CG2-CD2 3.96Å; L302-I304 HydrophobicContact CD1-CG1 4.02Å; L302-I304 HydrophobicContact CD2-CD1 4.21Å; L302-I304 HydrophobicContact CD2-CG1 4.49Å; L302-I304 HydrophobicContact CG-CD1 4.36Å; L302-I304 HydrophobicContact CG-CG1 4.11Å; L302-V312 WeakPolarHBondContact CA-O 3.29Å; L302-L337 HydrophobicContact CB-CD1 4.17Å; L302-L337 HydrophobicContact CB-CD2 4.07Å; L302-L337 HydrophobicContact CB-CG 4.34Å; L302-Y341 HydrophobicContact CD2-CD2 3.69Å; L302-Y341 HydrophobicContact CD2-CE2 4.32Å; L302-Y341 HydrophobicContact CD2-CG 4.17Å; L302-F401 WeakPolarHBondContact O-CA 3.34Å; L302-F402 HydrophobicContact CB-CB 4.28Å; L302-F402 HydrophobicContact CB-CD2 4.32Å; L302-F402 HydrophobicContact CD2-CD2 3.88Å; L302-F402 HydrophobicContact CD2-CE2 4.43Å; L302-F402 HydrophobicContact CG-CD2 4.06Å; L302-F402 PolarHBondContact N-O 3.27Å; L302-F402 PolarHBondContact O-N 2.6Å
303L94.8Very high90.5Very high1 Ų137 Ų371%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-111.4128.8172.1177.458.4000108.6S311 V312 H399 F401 L422 I425 F431L303-S311 CarbonylContact O-C 3.59Å; L303-S311 VanDerWaalsContact O-CA 3.23Å; L303-S311 WeakPolarHBondContact O-CA 3.15Å; L303-V312 PolarHBondContact N-O 3.45Å; L303-V312 PolarHBondContact O-N 3.45Å; L303-H399 HydrophobicContact CD1-CB 4.05Å; L303-F401 HydrophobicContact CB-CD2 4.11Å; L303-F401 HydrophobicContact CD1-CB 4.29Å; L303-F401 HydrophobicContact CD1-CD2 4.03Å; L303-L422 HydrophobicContact CD1-CD1 3.45Å; L303-L422 VanDerWaalsContact CD1-CD1 3.45Å; L303-L422 HydrophobicContact CD2-CD1 4.31Å; L303-I425 HydrophobicContact CD2-CB 4.46Å; L303-I425 HydrophobicContact CD2-CG2 3.61Å; L303-F431 HydrophobicContact CD2-CD1 3.53Å; L303-F431 HydrophobicContact CD2-CE1 4.07Å; L303-F431 HydrophobicContact CD2-CG 4.43Å; L303-F431 HydrophobicContact CG-CD1 3.87Å; L303-F431 HydrophobicContact CG-CE1 3.91Å
304I94.8Very high90.8Very high3 Ų333.5 Ų33.52%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-119.2123.3175.4-59.7173.6000107.6T149 C151 L302 R310 Y341 H399 Q400 F402T149-I304 HydrophobicContact CG2-CD1 3.81Å; C151-I304 HydrophobicContact CB-CG2 4.41Å; C151-I304 VanDerWaalsContact SG-CG2 3.51Å; L302-I304 HydrophobicContact CD1-CG1 4.02Å; L302-I304 HydrophobicContact CD2-CD1 4.21Å; L302-I304 HydrophobicContact CD2-CG1 4.49Å; L302-I304 HydrophobicContact CG-CD1 4.36Å; L302-I304 HydrophobicContact CG-CG1 4.11Å; I304-R310 CarbonylContact C-O 3.51Å; I304-R310 WeakPolarHBondContact CA-O 3.3Å; I304-Y341 HydrophobicContact CD1-CD2 4.46Å; I304-Y341 HydrophobicContact CD1-CE2 3.74Å; I304-H399 CarbonylContact O-C 3.53Å; I304-H399 VanDerWaalsContact O-CA 3.23Å; I304-H399 WeakPolarHBondContact O-CA 3.42Å; I304-Q400 HydrophobicContact CB-CB 4.25Å; I304-Q400 PolarHBondContact N-O 3.47Å; I304-Q400 PolarHBondContact O-N 2.82Å; I304-F402 HydrophobicContact CD1-CE2 4.24Å
305N93Very high90.9Very high10 Ų1033.3 Ų33.35%0.05316%0.155CC..EExtended strand (participates in β ladder)trans-86.4118.1164.5179.3-29.5000108.1E307 T308 R309 R310 F431N305-E307 WeakPolarHBondContact OD1-CA 3.45Å; N305-E307 WeakPolarHBondContact OD1-CB 3.45Å; N305-E307 PolarHBondContact OD1-N 2.8Å; N305-T308 WeakPolarHBondContact CB-OG1 3.34Å; N305-T308 PolarHBondContact ND2-OG1 3.01Å; N305-T308 PolarHBondContact OD1-N 3.18Å; N305-T308 PolarHBondContact OD1-OG1 2.77Å; N305-R309 VanDerWaalsContact O-CA 3.3Å; N305-R309 WeakPolarHBondContact O-CA 3.29Å; N305-R309 PolarHBondContact O-N 3.18Å; N305-R310 PolarHBondContact N-O 3.09Å; N305-R310 PolarHBondContact O-N 3.05Å; N305-F431 HydrophobicContact CB-CD1 4.24Å; N305-F431 HydrophobicContact CB-CE1 3.81Å; N305-F431 HydrophobicContact CB-CZ 4.31Å; N305-F431 PolarHBondContact ND2-OXT 3.05Å
306R89.6Confident90.7Very high95 Ų9530.3 Ų30.336%0.35815%0.146SC..THydrogen-bonded Turntrans-75-30.2-175.9-60.4177.667.7-163.3-3.5112.5T396 Q397 Q398 Q400R306-T396 PolarHBondContact NH1-O 2.63Å; R306-Q397 PolarHBondContact NH1-O 3.41Å; R306-Q398 WeakPolarHBondContact CB-O 3.3Å; R306-Q398 PolarHBondContact N-O 2.88Å; R306-Q400 HydrophobicContact CG-CG 4.17Å
307E88.6Confident89.7Confident127 Ų12731.3 Ų31.359%0.59315%0.145SC*.THydrogen-bonded Turntrans-74.4-47.9179.3-61.2-179.6178.800110.7N305 Q398N305-E307 WeakPolarHBondContact OD1-CA 3.45Å; N305-E307 WeakPolarHBondContact OD1-CB 3.45Å; N305-E307 PolarHBondContact OD1-N 2.8Å; E307-Q398 WeakPolarHBondContact OE1-CG 3.47Å; E307-Q398 PolarHBondContact OE1-NE2 2.84Å
308T87.3Confident88.2Confident55 Ų5532.3 Ų32.334%0.33715%0.154SC..THydrogen-bonded Turntrans-89.4-6.7-177.263.30000113.7N305 R310N305-T308 WeakPolarHBondContact CB-OG1 3.34Å; N305-T308 PolarHBondContact ND2-OG1 3.01Å; N305-T308 PolarHBondContact OD1-N 3.18Å; N305-T308 PolarHBondContact OD1-OG1 2.77Å; T308-R310 PolarHBondContact O-N 2.85Å
309R89.5Confident86.2Confident106 Ų10637 Ų3740%0.419%0.187SC..THydrogen-bonded Turntrans53.938.3-175.7-62-69.1-151.8164.14.9112.6C151 A152 P199 N305C151-R309 CarbonylContact C-O 3.51Å; C151-R309 VanDerWaalsContact CA-O 3.23Å; C151-R309 WeakPolarHBondContact CA-O 3.39Å; C151-R309 WeakPolarHBondContact CB-O 3.31Å; A152-R309 PolarHBondContact N-O 3.2Å; P199-R309 HydrophobicContact CB-CB 4.49Å; P199-R309 HydrophobicContact CG-CB 4.21Å; P199-R309 HydrophobicContact CG-CG 3.96Å; N305-R309 VanDerWaalsContact O-CA 3.3Å; N305-R309 WeakPolarHBondContact O-CA 3.29Å; N305-R309 PolarHBondContact O-N 3.18Å
310R91.9Very high83.9Confident45 Ų4543.9 Ų43.917%0.1722%0.218CC..EExtended strand (participates in β ladder)trans-109142.9178.8-67.5174.566.3-167.85.6110.6S154 W195 I304 N305 T308 F431S154-R310 PolarHBondContact OG-NE 3.42Å; W195-R310 HydrophobicContact CE3-CG 4.02Å; W195-R310 HydrophobicContact CH2-CG 3.95Å; W195-R310 HydrophobicContact CZ3-CG 3.53Å; I304-R310 CarbonylContact C-O 3.51Å; I304-R310 WeakPolarHBondContact CA-O 3.3Å; N305-R310 PolarHBondContact N-O 3.09Å; N305-R310 PolarHBondContact O-N 3.05Å; T308-R310 PolarHBondContact O-N 2.85Å; R310-F431 HydrophobicContact CB-CE2 3.89Å; R310-F431 HydrophobicContact CB-CZ 3.61Å
311S93.5Very high81.4Confident0 Ų050.4 Ų50.40%025%0.248CC..EExtended strand (participates in β ladder)trans-120.5141.5173.949.10000111.8A152 D153 S154 L303A152-S311 PolarHBondContact O-N 3.08Å; D153-S311 PolarHBondContact OD1-OG 3.15Å; S154-S311 WeakPolarHBondContact CB-O 3.25Å; S154-S311 PolarHBondContact N-O 3.29Å; L303-S311 CarbonylContact O-C 3.59Å; L303-S311 VanDerWaalsContact O-CA 3.23Å; L303-S311 WeakPolarHBondContact O-CA 3.15Å
312V93.1Very high78.7Confident1 Ų155.3 Ų55.31%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-122.9130.4168.3174.70000107.7V156 C287 L288 L302 L303 F431V156-V312 HydrophobicContact CG2-CG2 3.84Å; C287-V312 HydrophobicContact CB-CG1 4.1Å; L288-V312 HydrophobicContact CD2-CG1 3.78Å; L288-V312 HydrophobicContact CG-CG1 3.9Å; L302-V312 WeakPolarHBondContact CA-O 3.29Å; L303-V312 PolarHBondContact N-O 3.45Å; L303-V312 PolarHBondContact O-N 3.45Å; V312-F431 HydrophobicContact CB-CZ 4.38Å; V312-F431 HydrophobicContact CG2-CD2 4.02Å; V312-F431 HydrophobicContact CG2-CE1 4.14Å; V312-F431 HydrophobicContact CG2-CE2 3.48Å; V312-F431 VanDerWaalsContact CG2-CE2 3.48Å; V312-F431 HydrophobicContact CG2-CZ 3.54Å
313S92.2Very high76.1Confident0 Ų063.7 Ų63.70%032%0.324CS..EExtended strand (participates in β ladder)trans-132.7136.9-177.269.60000110.2G143 R186 L301 W334G143-S313 PolarHBondContact O-OG 2.93Å; R186-S313 PolarHBondContact NH1-O 2.9Å; R186-S313 VanDerWaalsContact NH1-O 3.1Å; R186-S313 PolarHBondContact NH1-OG 3.42Å; L301-S313 WeakPolarHBondContact O-CA 3.32Å; S313-W334 WeakPolarHBondContact OG-CH2 3.42Å
314C89.8Confident73.7Confident3 Ų366.7 Ų66.72%0.0235%0.345CS..EExtended strand (participates in β ladder)trans-142.1141.7-175.9175.30000110R286 A300 L301R286-C314 VanDerWaalsContact O-CB 3.23Å; R286-C314 WeakPolarHBondContact O-CB 3.42Å; R286-C314 PolarHBondContact O-SG 3.06Å; R286-C314 VanDerWaalsContact O-SG 3.4Å; A300-C314 CarbonylContact C-O 3.58Å; A300-C314 VanDerWaalsContact CA-O 3.22Å; A300-C314 WeakPolarHBondContact CA-O 3.29Å; L301-C314 HydrophobicContact CD1-CB 4.11Å; L301-C314 HydrophobicContact CG-CB 4.01Å; L301-C314 PolarHBondContact N-O 3.25Å; L301-C314 PolarHBondContact O-N 3.48Å
315V87.8Confident71.3Confident18 Ų1875.3 Ų75.311%0.10939%0.391CS..EExtended strand (participates in β ladder)trans-123128.3167.4171.50000108.3L299 A300 K330 C333 W334L299-V315 WeakPolarHBondContact O-CA 3.48Å; A300-V315 HydrophobicContact CB-CG2 3.74Å; V315-K330 HydrophobicContact CB-CG 4.4Å; V315-K330 HydrophobicContact CG1-CG 3.87Å; V315-C333 HydrophobicContact CG1-CB 3.73Å; V315-C333 HydrophobicContact CG2-CB 4.17Å; V315-W334 HydrophobicContact CB-CZ2 4.06Å; V315-W334 HydrophobicContact CG2-CD2 3.58Å; V315-W334 HydrophobicContact CG2-CE3 4.09Å; V315-W334 HydrophobicContact CG2-CG 3.99Å; V315-W334 HydrophobicContact CG2-CH2 3.95Å; V315-W334 HydrophobicContact CG2-CZ2 3.47Å; V315-W334 VanDerWaalsContact CG2-CZ2 3.47Å; V315-W334 HydrophobicContact CG2-CZ3 4.26Å
316Q81.6Confident69.4Low49 Ų4979.5 Ų79.523%0.22942%0.421CS..  trans-108122.3177.7-176.9168.4-32.800109L299L299-Q316 PolarHBondContact O-N 3.5Å
317I65.3Low68.3Low108 Ų10879.8 Ų79.855%0.55444%0.438SS*.  trans-95.7109.4168.5-49.8173.5000105.6S319 K330I317-S319 PolarHBondContact O-N 3.45Å; I317-S319 VanDerWaalsContact O-N 3.08Å; I317-K330 HydrophobicContact CD1-CB 3.88Å; I317-K330 HydrophobicContact CD1-CD 4.29Å; I317-K330 HydrophobicContact CD1-CG 4.39Å; I317-K330 HydrophobicContact CG1-CB 4.33Å
318S55.9Low67.9Low38 Ų3875.5 Ų75.527%0.26642%0.418SS..  trans-66.9109.4175.3-174.60000109.2H320S318-H320 PolarHBondContact O-N 3.16Å
319S47.9Very low67.8Low101 Ų10176.2 Ų76.271%0.70643%0.426SS*.THydrogen-bonded Turntrans-77.9-5.6172.451.30000112.9I317I317-S319 PolarHBondContact O-N 3.45Å; I317-S319 VanDerWaalsContact O-N 3.08Å
320H42.7Very low67.7Low159 Ų15973.2 Ų73.274%0.73642%0.416SS*.THydrogen-bonded Turntrans-92.92.8-169.3-78.1-73.7000115.2S318 P322S318-H320 PolarHBondContact O-N 3.16Å; H320-P322 VanDerWaalsContact O-CD 3.3Å; H320-P322 WeakPolarHBondContact O-CD 3.4Å
321H41.4Very low67.4Low138 Ų13874 Ų7464%0.63943%0.428SS*.  trans-110.991166.9-81.8-44.3000110.8L323H321-L323 PolarHBondContact O-N 3.35Å
322P38Very low67.1Low104 Ų10477.4 Ų77.468%0.67544%0.441SS*.  trans-68.3128.7158.730.2-27.6000106.9H320H320-P322 VanDerWaalsContact O-CD 3.3Å; H320-P322 WeakPolarHBondContact O-CD 3.4Å
323L38.5Very low67Low177 Ų17777.5 Ų77.593%0.92744%0.442SS*.SBendtrans85.650.8167.2-48.4155.3000117.8H321H321-L323 PolarHBondContact O-N 3.35Å
324S44.8Very low66.8Low63 Ų6377.9 Ų77.944%0.44144%0.443SS..  trans-127122.2147.166.60000109.5S326S324-S326 PolarHBondContact O-N 2.9Å
325D45.4Very low66.7Low184 Ų18481.9 Ų81.998%0.98446%0.461SS*.THydrogen-bonded Turntrans-61.46.9-178.7-70.5-36.4000115
326S53.2Low66.8Low99 Ų9982 Ų8269%0.69246%0.462SS*.THydrogen-bonded Turntrans-122.227.9-173.461.30000114.5S324 L328S324-S326 PolarHBondContact O-N 2.9Å; S326-L328 PolarHBondContact O-N 2.58Å
327S66.5Low67.3Low101 Ų10179.7 Ų79.771%0.70645%0.451SS*.PPolyproline II helixtrans-68.5118.4172.6680000110.7S329S327-S329 PolarHBondContact O-N 3.18Å
328L79.3Confident68.5Low36 Ų3676.2 Ų76.219%0.18843%0.432CS..PPolyproline II helixtrans-62.1131.4177.7-78.3175.6000110.5L299 S326 R332 L336 E388 C389L299-L328 HydrophobicContact CD1-CD1 3.94Å; S326-L328 PolarHBondContact O-N 2.58Å; L328-R332 HydrophobicContact CD2-CB 4.4Å; L328-R332 HydrophobicContact CD2-CG 3.72Å; L328-L336 HydrophobicContact CD1-CD1 3.88Å; L328-L336 HydrophobicContact CD2-CD1 4.45Å; L328-E388 HydrophobicContact CD1-CB 4.39Å; L328-E388 HydrophobicContact CD2-CB 4.23Å; L328-E388 HydrophobicContact CD2-CG 4.41Å; L328-C389 HydrophobicContact CD1-CB 4.32Å
329S86.2Confident70Confident71 Ų7177.9 Ų77.950%0.49744%0.437SS..PPolyproline II helixtrans-65149.2173.478.10000110.3S327 S331 R332 C333S327-S329 PolarHBondContact O-N 3.18Å; S329-S331 PolarHBondContact O-N 2.91Å; S329-R332 WeakPolarHBondContact O-CA 3.37Å; S329-R332 WeakPolarHBondContact O-CB 3.38Å; S329-R332 PolarHBondContact O-N 2.92Å; S329-R332 WeakPolarHBondContact OG-CB 3.24Å; S329-R332 PolarHBondContact OG-N 2.82Å; S329-C333 PolarHBondContact O-N 2.97Å
330K85.8Confident72.1Confident43 Ų4373.3 Ų73.319%0.18740%0.404CS..Hα-helixtrans-53.7-39.3176-173.6-178.7166.2-163.10112.7E285 V315 I317 R332 C333 W334E285-K330 IonicContact OE1-NZ 2.72Å; E285-K330 PolarHBondContact OE1-NZ 3.11Å; E285-K330 IonicContact OE2-NZ 3.28Å; E285-K330 PolarHBondContact OE2-NZ 3.35Å; V315-K330 HydrophobicContact CB-CG 4.4Å; V315-K330 HydrophobicContact CG1-CG 3.87Å; I317-K330 HydrophobicContact CD1-CB 3.88Å; I317-K330 HydrophobicContact CD1-CD 4.29Å; I317-K330 HydrophobicContact CD1-CG 4.39Å; I317-K330 HydrophobicContact CG1-CB 4.33Å; K330-R332 VanDerWaalsContact C-N 3.33Å; K330-C333 PolarHBondContact O-N 3.47Å; K330-W334 VanDerWaalsContact O-CD1 3.22Å; K330-W334 PolarHBondContact O-N 3.2Å; K330-W334 VanDerWaalsContact O-N 3.12Å
331S86.6Confident74.4Confident62 Ų6266.1 Ų66.143%0.43437%0.371SS..Hα-helixtrans-62.4-42.5177-165.40000111.5Q142 S329 W334 E335Q142-S331 VanDerWaalsContact NE2-CB 3.32Å; Q142-S331 PolarHBondContact NE2-OG 3.29Å; S329-S331 PolarHBondContact O-N 2.91Å; S331-W334 PolarHBondContact O-N 3.03Å; S331-E335 PolarHBondContact O-N 2.89Å
332R87.6Confident76.5Confident70 Ų7061.7 Ų61.726%0.26435%0.351SS..Hα-helixtrans-67.8-38.9178.3-174.556.4173.4177.4-1.5111.7L328 S329 K330 W334 E335 L336 E388L328-R332 HydrophobicContact CD2-CB 4.4Å; L328-R332 HydrophobicContact CD2-CG 3.72Å; S329-R332 WeakPolarHBondContact O-CA 3.37Å; S329-R332 WeakPolarHBondContact O-CB 3.38Å; S329-R332 PolarHBondContact O-N 2.92Å; S329-R332 WeakPolarHBondContact OG-CB 3.24Å; S329-R332 PolarHBondContact OG-N 2.82Å; K330-R332 VanDerWaalsContact C-N 3.33Å; R332-W334 PolarHBondContact O-N 3.11Å; R332-E335 VanDerWaalsContact CD-OE2 3.29Å; R332-E335 WeakPolarHBondContact CD-OE2 3.35Å; R332-E335 IonicContact CZ-OE2 3.25Å; R332-E335 IonicContact NE-OE2 3.66Å; R332-E335 IonicContact NH1-OE1 2.86Å; R332-E335 PolarHBondContact NH1-OE1 3.45Å; R332-E335 IonicContact NH1-OE2 3.47Å; R332-E335 PolarHBondContact NH1-OE2 3.25Å; R332-E335 WeakPolarHBondContact O-CB 3.4Å; R332-E335 PolarHBondContact O-N 3.34Å; R332-L336 HydrophobicContact CG-CD1 4.1Å; R332-L336 HydrophobicContact CG-CG 4.33Å; R332-L336 WeakPolarHBondContact O-CB 3.45Å; R332-L336 VanDerWaalsContact O-CG 3.29Å; R332-L336 WeakPolarHBondContact O-CG 3.23Å; R332-L336 PolarHBondContact O-N 3.13Å; R332-E388 IonicContact CZ-OE1 2.58Å; R332-E388 IonicContact CZ-OE2 2.63Å; R332-E388 IonicContact NE-OE1 2.77Å; R332-E388 IonicContact NE-OE2 2.6Å; R332-E388 PolarHBondContact NE-OE2 2.65Å; R332-E388 IonicContact NH2-OE1 3.98Å; R332-E388 PolarHBondContact NH2-OE1 3.22Å; R332-E388 IonicContact NH2-OE2 3.36Å; R332-E388 PolarHBondContact NH2-OE2 2.95Å
333C89.5Confident78.9Confident3 Ų358.3 Ų58.32%0.0233%0.326CS..Hα-helixtrans-59.7-43.7173.5-67.40000112.4A300 V315 S329 K330 L336 L337A300-C333 HydrophobicContact CB-CB 4.46Å; V315-C333 HydrophobicContact CG1-CB 3.73Å; V315-C333 HydrophobicContact CG2-CB 4.17Å; S329-C333 PolarHBondContact O-N 2.97Å; K330-C333 PolarHBondContact O-N 3.47Å; C333-L336 PolarHBondContact O-N 2.98Å; C333-L337 WeakPolarHBondContact O-CB 3.36Å; C333-L337 PolarHBondContact O-N 2.96Å
334W89.3Confident81.3Confident8 Ų849.9 Ų49.93%0.0328%0.282CS..Hα-helixtrans-62.7-42.3175.3-80.6117.3000112.5Q142 G143 L145 S313 V315 K330 S331 R332 L337 K338Q142-W334 HydrophobicContact CB-CG 4.27Å; Q142-W334 HydrophobicContact CG-CG 4.45Å; G143-W334 VanDerWaalsContact CA-CH2 3.46Å; L145-W334 HydrophobicContact CD1-CE3 4.35Å; L145-W334 HydrophobicContact CD1-CZ3 3.91Å; L145-W334 HydrophobicContact CG-CZ3 4.33Å; S313-W334 WeakPolarHBondContact OG-CH2 3.42Å; V315-W334 HydrophobicContact CB-CZ2 4.06Å; V315-W334 HydrophobicContact CG2-CD2 3.58Å; V315-W334 HydrophobicContact CG2-CE3 4.09Å; V315-W334 HydrophobicContact CG2-CG 3.99Å; V315-W334 HydrophobicContact CG2-CH2 3.95Å; V315-W334 HydrophobicContact CG2-CZ2 3.47Å; V315-W334 VanDerWaalsContact CG2-CZ2 3.47Å; V315-W334 HydrophobicContact CG2-CZ3 4.26Å; K330-W334 VanDerWaalsContact O-CD1 3.22Å; K330-W334 PolarHBondContact O-N 3.2Å; K330-W334 VanDerWaalsContact O-N 3.12Å; S331-W334 PolarHBondContact O-N 3.03Å; R332-W334 PolarHBondContact O-N 3.11Å; W334-L337 HydrophobicContact CE3-CD2 4.07Å; W334-L337 HydrophobicContact CZ3-CD2 3.81Å; W334-L337 PolarHBondContact O-N 3.26Å; W334-K338 VanDerWaalsContact O-CG 3.31Å; W334-K338 WeakPolarHBondContact O-CG 3.42Å; W334-K338 PolarHBondContact O-N 3.01Å
335E87.9Confident83.3Confident87 Ų8747.5 Ų47.541%0.40726%0.264SS..Hα-helixtrans-61.7-50.6176.7-171.7-167.616900111.4S331 R332 L337 K338 L339S331-E335 PolarHBondContact O-N 2.89Å; R332-E335 VanDerWaalsContact CD-OE2 3.29Å; R332-E335 WeakPolarHBondContact CD-OE2 3.35Å; R332-E335 IonicContact CZ-OE2 3.25Å; R332-E335 IonicContact NE-OE2 3.66Å; R332-E335 IonicContact NH1-OE1 2.86Å; R332-E335 PolarHBondContact NH1-OE1 3.45Å; R332-E335 IonicContact NH1-OE2 3.47Å; R332-E335 PolarHBondContact NH1-OE2 3.25Å; R332-E335 WeakPolarHBondContact O-CB 3.4Å; R332-E335 PolarHBondContact O-N 3.34Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 2.94Å; E335-K338 WeakPolarHBondContact O-CB 3.34Å; E335-K338 PolarHBondContact O-N 3.35Å; E335-L339 HydrophobicContact CG-CD1 4.21Å; E335-L339 WeakPolarHBondContact O-CG 3.49Å; E335-L339 PolarHBondContact O-N 2.86Å
336L90.3Very high85.1Confident21 Ų2140.7 Ų40.711%0.1123%0.231CC..Hα-helixtrans-59.8-38.9177.8-69.5172.2000111.9L328 R332 C333 L339 F340 E388 L404L328-L336 HydrophobicContact CD1-CD1 3.88Å; L328-L336 HydrophobicContact CD2-CD1 4.45Å; R332-L336 HydrophobicContact CG-CD1 4.1Å; R332-L336 HydrophobicContact CG-CG 4.33Å; R332-L336 WeakPolarHBondContact O-CB 3.45Å; R332-L336 VanDerWaalsContact O-CG 3.29Å; R332-L336 WeakPolarHBondContact O-CG 3.23Å; R332-L336 PolarHBondContact O-N 3.13Å; C333-L336 PolarHBondContact O-N 2.98Å; L336-L339 PolarHBondContact O-N 2.88Å; L336-F340 VanDerWaalsContact O-CB 3.28Å; L336-F340 WeakPolarHBondContact O-CB 3.46Å; L336-F340 PolarHBondContact O-N 3.45Å; L336-E388 HydrophobicContact CD1-CB 4.43Å; L336-L404 HydrophobicContact CB-CD1 3.73Å
337L91.8Very high86.4Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-66.9-41.6178.3-176.866.5000111L145 A300 L302 C333 W334 E335 F340 Y341 F402 L404L145-L337 HydrophobicContact CD1-CD2 4.26Å; A300-L337 HydrophobicContact CB-CD2 4.18Å; L302-L337 HydrophobicContact CB-CD1 4.17Å; L302-L337 HydrophobicContact CB-CD2 4.07Å; L302-L337 HydrophobicContact CB-CG 4.34Å; C333-L337 WeakPolarHBondContact O-CB 3.36Å; C333-L337 PolarHBondContact O-N 2.96Å; W334-L337 HydrophobicContact CE3-CD2 4.07Å; W334-L337 HydrophobicContact CZ3-CD2 3.81Å; W334-L337 PolarHBondContact O-N 3.26Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 2.94Å; L337-F340 PolarHBondContact O-N 3.3Å; L337-Y341 WeakPolarHBondContact O-CB 3.26Å; L337-Y341 PolarHBondContact O-N 2.88Å; L337-F402 HydrophobicContact CD1-CB 4.16Å; L337-L404 HydrophobicContact CB-CD1 3.94Å; L337-L404 HydrophobicContact CB-CG 4.43Å; L337-L404 HydrophobicContact CD1-CG 4.17Å
338K89.3Confident87.2Confident36 Ų3640.5 Ų40.516%0.15720%0.2CC..Hα-helixtrans-61.2-49.5173.8-75.1174-178.5-177.20111.2E139 H141 L145 L148 W334 E335 F340 Y341 I342E139-K338 PolarHBondContact O-NZ 3.27Å; H141-K338 PolarHBondContact O-NZ 2.91Å; L145-K338 HydrophobicContact CD2-CD 4Å; L145-K338 HydrophobicContact CD2-CG 3.49Å; L145-K338 VanDerWaalsContact CD2-CG 3.49Å; L148-K338 HydrophobicContact CD2-CB 4.28Å; L148-K338 HydrophobicContact CD2-CG 4.16Å; W334-K338 VanDerWaalsContact O-CG 3.31Å; W334-K338 WeakPolarHBondContact O-CG 3.42Å; W334-K338 PolarHBondContact O-N 3.01Å; E335-K338 WeakPolarHBondContact O-CB 3.34Å; E335-K338 PolarHBondContact O-N 3.35Å; K338-F340 VanDerWaalsContact C-N 3.31Å; K338-F340 PolarHBondContact O-N 2.81Å; K338-Y341 PolarHBondContact O-N 3.07Å; K338-I342 VanDerWaalsContact O-CG1 3.29Å; K338-I342 WeakPolarHBondContact O-CG1 3.28Å; K338-I342 PolarHBondContact O-N 2.81Å
339L87.8Confident87.4Confident73 Ų7338.9 Ų38.938%0.38219%0.192SC..Hα-helixtrans-60.2-42.9178.8-70.1173.7000111.3E335 L336 I342 F343E335-L339 HydrophobicContact CG-CD1 4.21Å; E335-L339 WeakPolarHBondContact O-CG 3.49Å; E335-L339 PolarHBondContact O-N 2.86Å; L336-L339 PolarHBondContact O-N 2.88Å; L339-I342 PolarHBondContact O-N 2.87Å; L339-F343 VanDerWaalsContact O-CB 3.26Å; L339-F343 WeakPolarHBondContact O-CB 3.2Å; L339-F343 PolarHBondContact O-N 2.82Å
340F91.8Very high86.6Confident4 Ų440.4 Ų40.42%0.01820%0.198CC..Hα-helixtrans-68.2-39.4178.5-177.3-114.3000112.8L336 L337 K338 F343 S344 L384 S391 Y392 F402 L404L336-F340 VanDerWaalsContact O-CB 3.28Å; L336-F340 WeakPolarHBondContact O-CB 3.46Å; L336-F340 PolarHBondContact O-N 3.45Å; L337-F340 PolarHBondContact O-N 3.3Å; K338-F340 VanDerWaalsContact C-N 3.31Å; K338-F340 PolarHBondContact O-N 2.81Å; F340-F343 HydrophobicContact CD2-CD1 4.24Å; F340-F343 HydrophobicContact CE2-CD1 4.29Å; F340-S344 WeakPolarHBondContact CZ-OG 3.23Å; F340-S344 VanDerWaalsContact O-CB 3.27Å; F340-S344 WeakPolarHBondContact O-CB 3.36Å; F340-S344 PolarHBondContact O-N 3.23Å; F340-S344 PolarHBondContact O-OG 3.12Å; F340-L384 HydrophobicContact CD2-CB 4.22Å; F340-L384 HydrophobicContact CD2-CD2 4.48Å; F340-L384 HydrophobicContact CE2-CB 4Å; F340-S391 VanDerWaalsContact CE2-CB 3.46Å; F340-Y392 VanDerWaalsContact CE1-C 3.44Å; F340-Y392 WeakPolarHBondContact CE1-O 3.38Å; F340-F402 HydrophobicContact CD1-CB 4.13Å; F340-F402 HydrophobicContact CD1-CD1 4.08Å; F340-F402 HydrophobicContact CE1-CB 4.22Å; F340-F402 AromaticContact CE1-CD1 3.87Å; F340-F402 HydrophobicContact CE1-CD1 3.87Å; F340-L404 HydrophobicContact CB-CD2 4.47Å
341Y91.2Very high85.2Confident8 Ų841.1 Ų41.13%0.03120%0.202CC..Hα-helixtrans-58.9-51.3172170.3-94.1000110.9L148 T149 L302 I304 L337 K338 F343 S344 I345 F402L148-Y341 HydrophobicContact CD1-CD1 4.15Å; L148-Y341 HydrophobicContact CD1-CE1 4.01Å; L148-Y341 HydrophobicContact CD2-CD1 3.64Å; L148-Y341 HydrophobicContact CD2-CE1 4.13Å; L148-Y341 HydrophobicContact CG-CD1 3.64Å; L148-Y341 HydrophobicContact CG-CE1 3.58Å; L148-Y341 PolarHBondContact O-OH 3.1Å; T149-Y341 WeakPolarHBondContact CA-OH 3.27Å; T149-Y341 HydrophobicContact CG2-CE1 4.34Å; T149-Y341 HydrophobicContact CG2-CE2 4.02Å; L302-Y341 HydrophobicContact CD2-CD2 3.69Å; L302-Y341 HydrophobicContact CD2-CE2 4.32Å; L302-Y341 HydrophobicContact CD2-CG 4.17Å; I304-Y341 HydrophobicContact CD1-CD2 4.46Å; I304-Y341 HydrophobicContact CD1-CE2 3.74Å; L337-Y341 WeakPolarHBondContact O-CB 3.26Å; L337-Y341 PolarHBondContact O-N 2.88Å; K338-Y341 PolarHBondContact O-N 3.07Å; Y341-F343 PolarHBondContact O-N 2.85Å; Y341-S344 PolarHBondContact O-N 3.07Å; Y341-S344 VanDerWaalsContact O-N 3.17Å; Y341-I345 HydrophobicContact CD1-CG1 4.44Å; Y341-I345 HydrophobicContact CD2-CG1 3.96Å; Y341-I345 HydrophobicContact CE1-CG1 4.03Å; Y341-I345 HydrophobicContact CE2-CD1 3.98Å; Y341-I345 HydrophobicContact CE2-CG1 3.5Å; Y341-I345 HydrophobicContact CG-CG1 4.41Å; Y341-I345 WeakPolarHBondContact O-CG1 3.36Å; Y341-I345 PolarHBondContact O-N 3.01Å; Y341-F402 AromaticContact CD2-CD2 3.94Å; Y341-F402 HydrophobicContact CD2-CD2 3.94Å; Y341-F402 HydrophobicContact CD2-CE1 4.28Å; Y341-F402 AromaticContact CD2-CE2 3.5Å; Y341-F402 HydrophobicContact CD2-CE2 3.5Å; Y341-F402 VanDerWaalsContact CD2-CE2 3.5Å; Y341-F402 HydrophobicContact CD2-CG 4.49Å; Y341-F402 AromaticContact CD2-CZ 3.69Å; Y341-F402 HydrophobicContact CD2-CZ 3.69Å; Y341-F402 AromaticContact CE2-CE2 3.88Å; Y341-F402 HydrophobicContact CE2-CE2 3.88Å; Y341-F402 HydrophobicContact CE2-CZ 4.07Å
342I86.7Confident83.3Confident45 Ų4545.8 Ų45.823%0.23122%0.217CC..Hα-helixtrans-55.9-54179.4-69.6164.4000109.9L148 K338 L339 S344 I345 S346L148-I342 HydrophobicContact CD1-CD1 4.18Å; L148-I342 HydrophobicContact CD1-CG1 3.84Å; L148-I342 HydrophobicContact CD2-CD1 4.39Å; L148-I342 HydrophobicContact CD2-CG1 4.22Å; K338-I342 VanDerWaalsContact O-CG1 3.29Å; K338-I342 WeakPolarHBondContact O-CG1 3.28Å; K338-I342 PolarHBondContact O-N 2.81Å; L339-I342 PolarHBondContact O-N 2.87Å; I342-S344 VanDerWaalsContact C-N 3.28Å; I342-S344 PolarHBondContact O-N 2.92Å; I342-I345 PolarHBondContact O-N 3.17Å; I342-S346 WeakPolarHBondContact O-CB 3.35Å; I342-S346 PolarHBondContact O-N 3.2Å; I342-S346 PolarHBondContact O-OG 3.29Å
343F87.1Confident81Confident33 Ų3348.3 Ų48.315%0.14523%0.232CC..Hα-helixtrans-54.9-41.3177.9169.9-93.6000113L339 F340 Y341 S346 R347 Y348L339-F343 VanDerWaalsContact O-CB 3.26Å; L339-F343 WeakPolarHBondContact O-CB 3.2Å; L339-F343 PolarHBondContact O-N 2.82Å; F340-F343 HydrophobicContact CD2-CD1 4.24Å; F340-F343 HydrophobicContact CE2-CD1 4.29Å; Y341-F343 PolarHBondContact O-N 2.85Å; F343-S346 PolarHBondContact O-OG 3.13Å; F343-R347 VanDerWaalsContact CE2-NH1 3.31Å; F343-R347 WeakPolarHBondContact O-CB 3.29Å; F343-R347 WeakPolarHBondContact O-CG 3.46Å; F343-R347 PolarHBondContact O-N 2.84Å; F343-Y348 HydrophobicContact CD1-CE2 4.28Å; F343-Y348 HydrophobicContact CE1-CD2 4.24Å; F343-Y348 AromaticContact CE1-CE2 3.51Å; F343-Y348 HydrophobicContact CE1-CE2 3.51Å; F343-Y348 AromaticContact CZ-CE2 3.71Å; F343-Y348 HydrophobicContact CZ-CE2 3.71Å
344S89.6Confident78.4Confident0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-72.3-45.2-177.1-60.40000111.8F340 Y341 I342 Y348 F349 C382 F402F340-S344 WeakPolarHBondContact CZ-OG 3.23Å; F340-S344 VanDerWaalsContact O-CB 3.27Å; F340-S344 WeakPolarHBondContact O-CB 3.36Å; F340-S344 PolarHBondContact O-N 3.23Å; F340-S344 PolarHBondContact O-OG 3.12Å; Y341-S344 PolarHBondContact O-N 3.07Å; Y341-S344 VanDerWaalsContact O-N 3.17Å; I342-S344 VanDerWaalsContact C-N 3.28Å; I342-S344 PolarHBondContact O-N 2.92Å; S344-Y348 PolarHBondContact O-N 2.88Å; S344-F349 PolarHBondContact O-N 2.96Å; S344-C382 PolarHBondContact OG-SG 3.01Å; S344-C382 VanDerWaalsContact OG-SG 3.4Å; S344-F402 VanDerWaalsContact CB-CE1 3.47Å
345I87.3Confident75.7Confident14 Ų1461.6 Ų61.67%0.07231%0.306CS..Hα-helixtrans-67.8-40.4178.7-64.8-58.2000111.5Y341 I342 F349 T350 F402Y341-I345 HydrophobicContact CD1-CG1 4.44Å; Y341-I345 HydrophobicContact CD2-CG1 3.96Å; Y341-I345 HydrophobicContact CE1-CG1 4.03Å; Y341-I345 HydrophobicContact CE2-CD1 3.98Å; Y341-I345 HydrophobicContact CE2-CG1 3.5Å; Y341-I345 HydrophobicContact CG-CG1 4.41Å; Y341-I345 WeakPolarHBondContact O-CG1 3.36Å; Y341-I345 PolarHBondContact O-N 3.01Å; I342-I345 PolarHBondContact O-N 3.17Å; I345-F349 HydrophobicContact CD1-CB 3.85Å; I345-F349 HydrophobicContact CD1-CD2 4.37Å; I345-F349 CarbonylContact O-C 3.57Å; I345-T350 WeakPolarHBondContact O-CA 3.46Å; I345-T350 PolarHBondContact O-N 3.04Å; I345-F402 HydrophobicContact CD1-CZ 4Å; I345-F402 HydrophobicContact CG1-CZ 4.41Å
346S81.8Confident72.8Confident40 Ų4063.7 Ų63.728%0.2833%0.329SS..Hα-helixtrans-71.8-36.2-17859.40000113.8E88 I342 F343 T350E88-S346 VanDerWaalsContact CG-CB 3.47Å; E88-S346 VanDerWaalsContact OE1-CB 3.28Å; E88-S346 WeakPolarHBondContact OE1-CB 3.35Å; E88-S346 PolarHBondContact OE1-OG 2.85Å; I342-S346 WeakPolarHBondContact O-CB 3.35Å; I342-S346 PolarHBondContact O-N 3.2Å; I342-S346 PolarHBondContact O-OG 3.29Å; F343-S346 PolarHBondContact O-OG 3.13Å; S346-T350 WeakPolarHBondContact O-CG2 3.48Å
347R81.8Confident69.7Low105 Ų10565.9 Ų65.940%0.39636%0.357SS..Hα-helixtrans-103.2-27.7-171.2-58.7-166.7-173.7176.54.5114.8G83 C85 E88 F343G83-R347 PolarHBondContact O-NH2 2.85Å; G83-R347 VanDerWaalsContact O-NH2 3.13Å; C85-R347 PolarHBondContact SG-NH2 2.79Å; E88-R347 IonicContact OE1-CZ 3.82Å; E88-R347 IonicContact OE1-NE 3.99Å; E88-R347 PolarHBondContact OE1-NE 2.63Å; E88-R347 IonicContact OE1-NH2 3.2Å; F343-R347 VanDerWaalsContact CE2-NH1 3.31Å; F343-R347 WeakPolarHBondContact O-CB 3.29Å; F343-R347 WeakPolarHBondContact O-CG 3.46Å; F343-R347 PolarHBondContact O-N 2.84Å
348Y83.3Confident66.6Low92 Ų9270 Ų7036%0.36139%0.386SS..THydrogen-bonded Turntrans-126.6-45-170.2-59.6-73000113.1F343 S344 P379 C382F343-Y348 HydrophobicContact CD1-CE2 4.28Å; F343-Y348 HydrophobicContact CE1-CD2 4.24Å; F343-Y348 AromaticContact CE1-CE2 3.51Å; F343-Y348 HydrophobicContact CE1-CE2 3.51Å; F343-Y348 AromaticContact CZ-CE2 3.71Å; F343-Y348 HydrophobicContact CZ-CE2 3.71Å; S344-Y348 PolarHBondContact O-N 2.88Å; Y348-P379 HydrophobicContact CD1-CB 4.41Å; Y348-P379 WeakPolarHBondContact O-CB 3.39Å; Y348-P379 WeakPolarHBondContact O-CD 3.47Å; Y348-P379 VanDerWaalsContact O-CG 3.24Å; Y348-P379 WeakPolarHBondContact O-CG 3.34Å; Y348-C382 HydrophobicContact CD2-CB 3.85Å; Y348-C382 HydrophobicContact CE2-CB 4.19Å; Y348-C382 HydrophobicContact CG-CB 4.11Å
349F83.6Confident63.6Low2 Ų274.2 Ų74.21%0.00942%0.417CS..  trans-104.434.5-171.5-59.7-25.3000112.1S344 I345 Q351 P379 Q395 F402S344-F349 PolarHBondContact O-N 2.96Å; I345-F349 HydrophobicContact CD1-CB 3.85Å; I345-F349 HydrophobicContact CD1-CD2 4.37Å; I345-F349 CarbonylContact O-C 3.57Å; F349-Q351 PolarHBondContact O-N 2.71Å; F349-P379 HydrophobicContact CD1-CB 4.5Å; F349-P379 VanDerWaalsContact CD1-O 3.26Å; F349-P379 WeakPolarHBondContact CD1-O 3.44Å; F349-P379 HydrophobicContact CE1-CB 4.5Å; F349-P379 WeakPolarHBondContact CE1-O 3.29Å; F349-Q395 VanDerWaalsContact CB-OE1 3.31Å; F349-Q395 HydrophobicContact CD1-CB 3.95Å; F349-Q395 HydrophobicContact CD2-CB 4.44Å; F349-Q395 HydrophobicContact CE1-CB 3.85Å; F349-Q395 HydrophobicContact CE2-CB 4.33Å; F349-Q395 HydrophobicContact CG-CB 4.26Å; F349-Q395 HydrophobicContact CZ-CB 4.05Å; F349-F402 AromaticContact CD2-CE1 3.88Å; F349-F402 HydrophobicContact CD2-CE1 3.88Å; F349-F402 HydrophobicContact CD2-CZ 4.04Å; F349-F402 AromaticContact CE2-CE1 3.81Å; F349-F402 HydrophobicContact CE2-CE1 3.81Å; F349-F402 HydrophobicContact CE2-CZ 4.28Å
350T68.6Low60.8Low102 Ų10278.9 Ų78.963%0.62644%0.437SS*.  trans-49.9110.5-179.833.10000109.1I345 S346 E352I345-T350 WeakPolarHBondContact O-CA 3.46Å; I345-T350 PolarHBondContact O-N 3.04Å; S346-T350 WeakPolarHBondContact O-CG2 3.48Å; T350-E352 PolarHBondContact O-N 2.93Å
351Q57.4Low57.8Low59 Ų5987 Ų8728%0.27648%0.475SS..  trans-65.6127.9175.2-75.3-175.5-600106.7F349 E353F349-Q351 PolarHBondContact O-N 2.71Å; Q351-E353 HydrophobicContact CB-CG 4.24Å; Q351-E353 PolarHBondContact O-N 2.76Å
352E46Very low54.8Low160 Ų16091.9 Ų91.975%0.74851%0.51SS*.  trans-61.482.1156-75.4170.7170.900107T350 T354T350-E352 PolarHBondContact O-N 2.93Å; E352-T354 PolarHBondContact O-N 3.29Å
353E38.7Very low52.1Low123 Ų12395.2 Ų95.258%0.57553%0.533SS*.  trans-71.972.1165.5-78.7178.7-17700107.8R95 Q351R95-E353 IonicContact CZ-OE1 3.82Å; R95-E353 IonicContact NE-OE1 3.05Å; R95-E353 IonicContact NH2-OE1 2.67Å; R95-E353 PolarHBondContact NH2-OE1 3.38Å; R95-E353 IonicContact NH2-OE2 3.35Å; Q351-E353 HydrophobicContact CB-CG 4.24Å; Q351-E353 PolarHBondContact O-N 2.76Å
354T35.8Very low49.4Very low113 Ų113102.5 Ų102.569%0.69357%0.567SS**  trans-118.8110.3157.439.80000106.9E352E352-T354 PolarHBondContact O-N 3.29Å
355L31.5Very low46.6Very low176 Ų176107.7 Ų107.792%0.92160%0.604SS**SBendtrans171.759.3147.4-87.3164.1000108.3
356C28.3Very low43.8Very low131 Ų131112 Ų11289%0.88564%0.635SS**SBendtrans-170.137.5155.5-1070000111.4
357G25.1Very low41.4Very low67 Ų67119.2 Ų119.269%0.69166%0.664SS**SBendtrans-120136.9167.100000108.2
358S25.4Very low39.3Very low88 Ų88119.9 Ų119.962%0.61568%0.68SS**  trans-47.8150.617335.90000112.4E360S358-E360 PolarHBondContact O-N 2.93Å
359P26.9Very low36.9Very low124 Ų124123 Ų12381%0.80570%0.698SS**THydrogen-bonded Turntrans-67.78-174.8-15.630000116
360E28.9Very low34.6Very low171 Ų171130.8 Ų130.880%0.79974%0.739SS**THydrogen-bonded Turntrans-112.75.4-164.3-65.7-167.9159.800115.5S358S358-E360 PolarHBondContact O-N 2.93Å
361E29Very low33.2Very low174 Ų174134.1 Ų134.181%0.81375%0.746SS**  trans-122.220.5177.2-72.1-173.2164.800114.5T363E361-T363 PolarHBondContact O-N 2.82Å
362S28.5Very low32.5Very low111 Ų111139.3 Ų139.378%0.77677%0.774SS**THydrogen-bonded Turntrans-84.326.1176.869.80000114.4
363T28.8Very low32.5Very low114 Ų114141.4 Ų141.470%0.69978%0.784SS**THydrogen-bonded Turntrans-123.43.4-175.635.30000116.6E361E361-T363 PolarHBondContact O-N 2.82Å
364Q31.8Very low32.9Very low186 Ų186138.2 Ų138.287%0.86978%0.783SS**SBendtrans-142.566.7-179.6-66.2-173.62.400114.1
365S29.2Very low33.6Very low110 Ų110142.9 Ų142.977%0.76980%0.795SS**  trans-153.926.8150.669.30000113.5H367S365-H367 PolarHBondContact O-N 2.8Å
366S30.1Very low34.8Very low105 Ų105140.4 Ų140.473%0.73479%0.792SS**  trans-76.667.516965.60000110.7
367H31Very low36.7Very low190 Ų190141 Ų14188%0.8878%0.782SS**  trans-110.750.6155.9-73.5-65.8000108.8S365S365-H367 PolarHBondContact O-N 2.8Å
368T36.9Very low39.2Very low120 Ų120143.3 Ų143.374%0.73677%0.774SS**SBendtrans-93.6109.8150.9-34.50000104.1D370T368-D370 PolarHBondContact O-N 2.77Å; T368-D370 VanDerWaalsContact O-N 3.14Å
369E32.8Very low42Very low156 Ų156141.3 Ų141.373%0.72976%0.759SS**  trans-49.6125.2170-66.2-172.314400107.8F371E369-F371 HydrophobicContact CB-CD2 4.42Å; E369-F371 PolarHBondContact O-N 2.56Å
370D34.9Very low45Very low166 Ų166140.9 Ų140.989%0.88875%0.747SS**  trans-60.678.9175.5-77.2-42.9000109.5T368 L372T368-D370 PolarHBondContact O-N 2.77Å; T368-D370 VanDerWaalsContact O-N 3.14Å; D370-L372 PolarHBondContact O-N 2.78Å
371F41.1Very low48.1Very low173 Ų173135.9 Ų135.976%0.75972%0.723SS**  trans-65.690.7161.7-91.7-90.8000107.3E369 H373 G374E369-F371 HydrophobicContact CB-CD2 4.42Å; E369-F371 PolarHBondContact O-N 2.56Å; F371-H373 PolarHBondContact O-N 2.85Å; F371-G374 PolarHBondContact O-N 3.05Å
372L42.5Very low51.2Low167 Ų167128 Ų12887%0.87469%0.687SS**THydrogen-bonded Turntrans18.874.9152.5-72.3164.8000114.4D370 G374D370-L372 PolarHBondContact O-N 2.78Å; L372-G374 PolarHBondContact O-N 2.9Å
373H45.8Very low54.4Low205 Ų205129.5 Ų129.595%0.94968%0.677SS**THydrogen-bonded Turntrans26.252172.2-76.5-67.7000115.2F371F371-H373 PolarHBondContact O-N 2.85Å
374G47.5Very low57.5Low55 Ų55127 Ų12757%0.56766%0.659SS**  trans-66.8145.7169.300000108.7F371 L372 S376F371-G374 PolarHBondContact O-N 3.05Å; L372-G374 PolarHBondContact O-N 2.9Å; G374-S376 PolarHBondContact O-N 3.37Å; G374-S376 VanDerWaalsContact O-N 3.09Å
375F49.2Very low60.4Low212 Ų212121.4 Ų121.493%0.9364%0.637SS**  trans-49.2122.1172.7-63.7-85.5000109.6H377F375-H377 PolarHBondContact O-N 3.06Å
376S57.7Low63.3Low124 Ų124118.8 Ų118.887%0.86762%0.617SS**  trans-70.478.5170.951.50000108.9G374 Q378G374-S376 PolarHBondContact O-N 3.37Å; G374-S376 VanDerWaalsContact O-N 3.09Å; S376-Q378 PolarHBondContact O-N 3Å
377H67.6Low66Low144 Ų144123 Ų12367%0.66763%0.625SS**  trans-86.5109.8177.7-177.7-78.7000109.5F375F375-H377 PolarHBondContact O-N 3.06Å
378Q77.5Confident68.7Low115 Ų115117.6 Ų117.654%0.53760%0.6SS.*  trans-74.7125.8168.6-72-174.2-900109.8S376 Q380S376-Q378 PolarHBondContact O-N 3Å; Q378-Q380 PolarHBondContact O-N 3.2Å
379P84.7Confident71.3Confident45 Ų45112 Ų11229%0.29257%0.565SS.*  trans-57.5125175.2-23.734.4000111.1Y348 F349Y348-P379 HydrophobicContact CD1-CB 4.41Å; Y348-P379 WeakPolarHBondContact O-CB 3.39Å; Y348-P379 WeakPolarHBondContact O-CD 3.47Å; Y348-P379 VanDerWaalsContact O-CG 3.24Å; Y348-P379 WeakPolarHBondContact O-CG 3.34Å; F349-P379 HydrophobicContact CD1-CB 4.5Å; F349-P379 VanDerWaalsContact CD1-O 3.26Å; F349-P379 WeakPolarHBondContact CD1-O 3.44Å; F349-P379 HydrophobicContact CE1-CB 4.5Å; F349-P379 WeakPolarHBondContact CE1-O 3.29Å
380Q90.3Very high74.3Confident116 Ų116105.7 Ų105.754%0.54254%0.536SS..  trans-103.5-18.2178-66.4-176.2-14.300112.8Q378 L394 Q395Q378-Q380 PolarHBondContact O-N 3.2Å; Q380-L394 CarbonylContact O-C 3.53Å; Q380-L394 WeakPolarHBondContact O-CA 3.47Å; Q380-Q395 PolarHBondContact O-N 3.3Å
381Q93.6Very high77.2Confident65 Ų6598 Ų9830%0.30450%0.495SS..EExtended strand (participates in β ladder)trans-144.8141.6-173.6-66.11760.400109.7Y392 G393 L394Q381-Y392 PolarHBondContact OE1-OH 2.91Å; Q381-G393 VanDerWaalsContact CA-O 3.28Å; Q381-G393 WeakPolarHBondContact CA-O 3.27Å; Q381-L394 HydrophobicContact CG-CD1 3.63Å
382C93.8Very high79.8Confident9 Ų990.2 Ų90.26%0.06146%0.461CS..EExtended strand (participates in β ladder)trans-142.5157.6171.165.50000109.4S344 Y348 G393S344-C382 PolarHBondContact OG-SG 3.01Å; S344-C382 VanDerWaalsContact OG-SG 3.4Å; Y348-C382 HydrophobicContact CD2-CB 3.85Å; Y348-C382 HydrophobicContact CE2-CB 4.19Å; Y348-C382 HydrophobicContact CG-CB 4.11Å; C382-G393 PolarHBondContact N-O 2.73Å; C382-G393 PolarHBondContact O-N 2.63Å
383Y94.9Very high82.4Confident142 Ų14282.3 Ų82.356%0.55742%0.419SS*.EExtended strand (participates in β ladder)trans-145.5152.9171.671.7-88.8000110V385 S391 T411 L414Y383-V385 HydrophobicContact CD2-CG2 4.01Å; Y383-V385 HydrophobicContact CE2-CG2 4.16Å; Y383-S391 CarbonylContact C-O 3.51Å; Y383-S391 WeakPolarHBondContact CA-O 3.5Å; Y383-S391 WeakPolarHBondContact CB-O 3.36Å; Y383-T411 HydrophobicContact CD2-CG2 4.43Å; Y383-T411 HydrophobicContact CE2-CG2 4.08Å; Y383-L414 HydrophobicContact CD2-CD1 4.47Å
384L93.9Very high84.7Confident62 Ų6273 Ų7333%0.32538%0.376SS..EExtended strand (participates in β ladder)trans-134.8130.8176.5-177.367.3000108.5F340 T386 S391F340-L384 HydrophobicContact CD2-CB 4.22Å; F340-L384 HydrophobicContact CD2-CD2 4.48Å; F340-L384 HydrophobicContact CE2-CB 4Å; L384-T386 HydrophobicContact CD2-CG2 4.17Å; L384-T386 HydrophobicContact CG-CG2 4.1Å; L384-S391 PolarHBondContact N-O 2.88Å; L384-S391 PolarHBondContact O-N 2.69Å
385V92.9Very high86.8Confident68 Ų6871.4 Ų71.441%0.41235%0.354SS..EExtended strand (participates in β ladder)trans-111.4120.71771800000107.9Y383 K390 T411Y383-V385 HydrophobicContact CD2-CG2 4.01Å; Y383-V385 HydrophobicContact CE2-CG2 4.16Å; V385-K390 HydrophobicContact CB-CG 4.45Å; V385-K390 HydrophobicContact CG1-CG 4.02Å; V385-K390 HydrophobicContact CG2-CG 4.19Å; V385-T411 HydrophobicContact CG2-CG2 4.14Å
386T90.7Very high88.8Confident55 Ų5563.9 Ų63.934%0.33733%0.325SS..  trans-120.2174.3172.573.90000109.7L384 E388 C389L384-T386 HydrophobicContact CD2-CG2 4.17Å; L384-T386 HydrophobicContact CG-CG2 4.1Å; T386-E388 VanDerWaalsContact C-N 3.28Å; T386-E388 PolarHBondContact OG1-N 2.93Å; T386-C389 PolarHBondContact N-O 2.88Å; T386-C389 PolarHBondContact OG1-N 2.76Å; T386-C389 VanDerWaalsContact OG1-N 3.11Å; T386-C389 PolarHBondContact OG1-O 3.2Å
387E86.9Confident90.2Very high194 Ų19466.5 Ų66.591%0.90732%0.324SS*.SBendtrans-67.7-32.2173.6-60.5-173.9166.200111.7P407E387-P407 WeakPolarHBondContact O-CG 3.37Å
388E88.1Confident91.2Very high76 Ų7664 Ų6436%0.35531%0.313SS..SBendtrans-81.7-39.9-176.5-67.8-177.4-149.500113.1L328 R332 L336 T386 P407L328-E388 HydrophobicContact CD1-CB 4.39Å; L328-E388 HydrophobicContact CD2-CB 4.23Å; L328-E388 HydrophobicContact CD2-CG 4.41Å; R332-E388 IonicContact CZ-OE1 2.58Å; R332-E388 IonicContact CZ-OE2 2.63Å; R332-E388 IonicContact NE-OE1 2.77Å; R332-E388 IonicContact NE-OE2 2.6Å; R332-E388 PolarHBondContact NE-OE2 2.65Å; R332-E388 IonicContact NH2-OE1 3.98Å; R332-E388 PolarHBondContact NH2-OE1 3.22Å; R332-E388 IonicContact NH2-OE2 3.36Å; R332-E388 PolarHBondContact NH2-OE2 2.95Å; L336-E388 HydrophobicContact CD1-CB 4.43Å; T386-E388 VanDerWaalsContact C-N 3.28Å; T386-E388 PolarHBondContact OG1-N 2.93Å; E388-P407 WeakPolarHBondContact O-CD 3.42Å; E388-P407 WeakPolarHBondContact O-CG 3.28Å
389C91.1Very high92Very high2 Ų259 Ų591%0.01429%0.289CS..  trans-157.9168.6-17870.20000112.7L299 L328 T386L299-C389 HydrophobicContact CD1-CB 4.05Å; L328-C389 HydrophobicContact CD1-CB 4.32Å; T386-C389 PolarHBondContact N-O 2.88Å; T386-C389 PolarHBondContact OG1-N 2.76Å; T386-C389 VanDerWaalsContact OG1-N 3.11Å; T386-C389 PolarHBondContact OG1-O 3.2Å
390K94.8Very high92.5Very high24 Ų2457 Ų5710%0.10428%0.276CS..EExtended strand (participates in β ladder)trans-110.2131.6166.7-71.5169.5172.4162.20108.7V385 V405 P407 V409 L414V385-K390 HydrophobicContact CB-CG 4.45Å; V385-K390 HydrophobicContact CG1-CG 4.02Å; V385-K390 HydrophobicContact CG2-CG 4.19Å; K390-V405 HydrophobicContact CB-CG2 3.72Å; K390-V405 PolarHBondContact N-O 3.33Å; K390-V405 PolarHBondContact O-N 2.78Å; K390-P407 WeakPolarHBondContact CE-O 3.43Å; K390-P407 PolarHBondContact NZ-O 3.14Å; K390-V409 VanDerWaalsContact CD-O 3.23Å; K390-V409 WeakPolarHBondContact CD-O 3.25Å; K390-V409 WeakPolarHBondContact CE-O 3.41Å; K390-V409 PolarHBondContact NZ-O 3.41Å; K390-L414 HydrophobicContact CB-CD1 4.18Å; K390-L414 HydrophobicContact CB-CD2 3.87Å; K390-L414 HydrophobicContact CD-CD2 4.31Å
391S95.7Very high92.7Very high4 Ų451.4 Ų51.43%0.02825%0.25CC..EExtended strand (participates in β ladder)trans-113.7141.7-177.8-47.40000110.3F340 Y383 L384 L403 L404F340-S391 VanDerWaalsContact CE2-CB 3.46Å; Y383-S391 CarbonylContact C-O 3.51Å; Y383-S391 WeakPolarHBondContact CA-O 3.5Å; Y383-S391 WeakPolarHBondContact CB-O 3.36Å; L384-S391 PolarHBondContact N-O 2.88Å; L384-S391 PolarHBondContact O-N 2.69Å; S391-L403 CarbonylContact C-O 3.58Å; S391-L403 VanDerWaalsContact CA-O 3.25Å; S391-L403 WeakPolarHBondContact CA-O 3.47Å; S391-L404 WeakPolarHBondContact OG-CD2 3Å
392Y96.6Very high92.8Very high11 Ų1148.3 Ų48.34%0.04324%0.235CC..EExtended strand (participates in β ladder)trans-138.1128.4177.4-164.1-87.9000110.5F340 Q381 L394 F402 L403 L414 R415 A418F340-Y392 VanDerWaalsContact CE1-C 3.44Å; F340-Y392 WeakPolarHBondContact CE1-O 3.38Å; Q381-Y392 PolarHBondContact OE1-OH 2.91Å; Y392-L394 HydrophobicContact CE1-CB 4.26Å; Y392-F402 WeakPolarHBondContact O-CA 3.47Å; Y392-L403 PolarHBondContact N-O 2.86Å; Y392-L403 PolarHBondContact O-N 3.24Å; Y392-L414 HydrophobicContact CD2-CB 3.7Å; Y392-L414 HydrophobicContact CE2-CB 4.29Å; Y392-L414 HydrophobicContact CG-CB 4.4Å; Y392-R415 HydrophobicContact CE2-CB 4.18Å; Y392-A418 HydrophobicContact CD1-CB 3.26Å; Y392-A418 HydrophobicContact CE1-CB 3.75Å; Y392-A418 HydrophobicContact CG-CB 3.96Å
393G96.3Very high92.9Very high0 Ų048 Ų480%023%0.233CC..EExtended strand (participates in β ladder)trans-114.2135.1178.500000109.8Q381 C382 F401Q381-G393 VanDerWaalsContact CA-O 3.28Å; Q381-G393 WeakPolarHBondContact CA-O 3.27Å; C382-G393 PolarHBondContact N-O 2.73Å; C382-G393 PolarHBondContact O-N 2.63Å; G393-F401 CarbonylContact C-O 3.57Å; G393-F401 WeakPolarHBondContact CA-O 3.48Å
394L94.6Very high92.9Very high11 Ų1141.2 Ų41.26%0.05821%0.207CC..EExtended strand (participates in β ladder)trans-134128.9179.8175.167.6000109Q380 Q381 Y392 T396 Q400 F401 T419 L422Q380-L394 CarbonylContact O-C 3.53Å; Q380-L394 WeakPolarHBondContact O-CA 3.47Å; Q381-L394 HydrophobicContact CG-CD1 3.63Å; Y392-L394 HydrophobicContact CE1-CB 4.26Å; L394-T396 HydrophobicContact CD2-CG2 4.49Å; L394-T396 HydrophobicContact CG-CG2 4.27Å; L394-Q400 CarbonylContact O-C 3.45Å; L394-Q400 WeakPolarHBondContact O-CA 3.49Å; L394-F401 HydrophobicContact CB-CB 4.37Å; L394-F401 PolarHBondContact N-O 2.88Å; L394-F401 PolarHBondContact O-N 2.98Å; L394-T419 HydrophobicContact CD2-CG2 4.24Å; L394-L422 HydrophobicContact CD2-CD2 3.6Å
395Q92.8Very high92.9Very high21 Ų2138.4 Ų38.410%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-119.4120.6174.8175163.9-64.600109.5F349 Q380 Q400F349-Q395 VanDerWaalsContact CB-OE1 3.31Å; F349-Q395 HydrophobicContact CD1-CB 3.95Å; F349-Q395 HydrophobicContact CD2-CB 4.44Å; F349-Q395 HydrophobicContact CE1-CB 3.85Å; F349-Q395 HydrophobicContact CE2-CB 4.33Å; F349-Q395 HydrophobicContact CG-CB 4.26Å; F349-Q395 HydrophobicContact CZ-CB 4.05Å; Q380-Q395 PolarHBondContact O-N 3.3Å; Q395-Q400 HydrophobicContact CG-CG 4.31Å
396T90Very high92.9Very high53 Ų5337.3 Ų37.333%0.32518%0.183SC..  trans-111.7179.7169.774.70000109.6R306 L394 Q398 H399R306-T396 PolarHBondContact NH1-O 2.63Å; L394-T396 HydrophobicContact CD2-CG2 4.49Å; L394-T396 HydrophobicContact CG-CG2 4.27Å; T396-Q398 VanDerWaalsContact C-N 3.27Å; T396-Q398 PolarHBondContact O-N 3.33Å; T396-Q398 PolarHBondContact OG1-N 2.9Å; T396-H399 PolarHBondContact N-O 3.03Å; T396-H399 PolarHBondContact OG1-N 2.89Å; T396-H399 PolarHBondContact OG1-O 2.93Å
397Q86.6Confident92.9Very high179 Ų17937 Ų3784%0.83618%0.182SC*.SBendtrans-61.2-39.4174.2-69.6-176.4-600111.5R306R306-Q397 PolarHBondContact NH1-O 3.41Å
398Q90.4Very high93Very high92 Ų9232.2 Ų32.243%0.4317%0.171SC..SBendtrans-98.5-28.5-172.7-55.8-167.6-54.900113.4R306 E307 T396R306-Q398 WeakPolarHBondContact CB-O 3.3Å; R306-Q398 PolarHBondContact N-O 2.88Å; E307-Q398 WeakPolarHBondContact OE1-CG 3.47Å; E307-Q398 PolarHBondContact OE1-NE2 2.84Å; T396-Q398 VanDerWaalsContact C-N 3.27Å; T396-Q398 PolarHBondContact O-N 3.33Å; T396-Q398 PolarHBondContact OG1-N 2.9Å
399H93.4Very high93.2Very high11 Ų1129 Ų295%0.05116%0.156CC..EExtended strand (participates in β ladder)trans-132.4147.7-170.3-55.392.8000112.8L303 I304 T396 F431L303-H399 HydrophobicContact CD1-CB 4.05Å; I304-H399 CarbonylContact O-C 3.53Å; I304-H399 VanDerWaalsContact O-CA 3.23Å; I304-H399 WeakPolarHBondContact O-CA 3.42Å; T396-H399 PolarHBondContact N-O 3.03Å; T396-H399 PolarHBondContact OG1-N 2.89Å; T396-H399 PolarHBondContact OG1-O 2.93Å; H399-F431 PolarHBondContact NE2-O 3.23Å
400Q94.3Very high93.3Very high1 Ų131.7 Ų31.71%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-114.5132158.7-63176.9-46.800108.3I304 R306 L394 Q395 F402I304-Q400 HydrophobicContact CB-CB 4.25Å; I304-Q400 PolarHBondContact N-O 3.47Å; I304-Q400 PolarHBondContact O-N 2.82Å; R306-Q400 HydrophobicContact CG-CG 4.17Å; L394-Q400 CarbonylContact O-C 3.45Å; L394-Q400 WeakPolarHBondContact O-CA 3.49Å; Q395-Q400 HydrophobicContact CG-CG 4.31Å; Q400-F402 HydrophobicContact CB-CE2 3.82Å; Q400-F402 HydrophobicContact CB-CZ 4.18Å
401F95.8Very high93.2Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-131.3127.1-175.6-177.4-113.8000110.4L301 L302 L303 G393 L394 L403 A418 T421 L422 I425L301-F401 HydrophobicContact CB-CE2 4Å; L301-F401 HydrophobicContact CB-CZ 4.29Å; L302-F401 WeakPolarHBondContact O-CA 3.34Å; L303-F401 HydrophobicContact CB-CD2 4.11Å; L303-F401 HydrophobicContact CD1-CB 4.29Å; L303-F401 HydrophobicContact CD1-CD2 4.03Å; G393-F401 CarbonylContact C-O 3.57Å; G393-F401 WeakPolarHBondContact CA-O 3.48Å; L394-F401 HydrophobicContact CB-CB 4.37Å; L394-F401 PolarHBondContact N-O 2.88Å; L394-F401 PolarHBondContact O-N 2.98Å; F401-L403 HydrophobicContact CD1-CB 4.43Å; F401-L403 HydrophobicContact CE1-CB 3.77Å; F401-L403 HydrophobicContact CE1-CD1 4.22Å; F401-L403 HydrophobicContact CE1-CD2 4.17Å; F401-L403 HydrophobicContact CE1-CG 4.28Å; F401-L403 HydrophobicContact CZ-CB 4.15Å; F401-L403 HydrophobicContact CZ-CD1 3.86Å; F401-L403 HydrophobicContact CZ-CG 4.42Å; F401-A418 HydrophobicContact CD1-CB 4.39Å; F401-A418 HydrophobicContact CE1-CB 4.18Å; F401-T421 HydrophobicContact CZ-CG2 3.86Å; F401-L422 HydrophobicContact CB-CD1 4.25Å; F401-L422 HydrophobicContact CB-CD2 4.37Å; F401-L422 HydrophobicContact CD1-CB 4.32Å; F401-L422 HydrophobicContact CD2-CD1 4.25Å; F401-L422 HydrophobicContact CG-CB 4.47Å; F401-L422 HydrophobicContact CG-CD1 4.24Å; F401-I425 HydrophobicContact CE2-CD1 4.14Å
402F96.3Very high93Very high0 Ų041.9 Ų41.90%022%0.223CC..EExtended strand (participates in β ladder)trans-123.9126179.2-53.7-87.1000108.4L301 L302 I304 L337 F340 Y341 S344 I345 F349 Y392 Q400L301-F402 CarbonylContact C-O 3.5Å; L301-F402 VanDerWaalsContact CA-O 3.25Å; L301-F402 WeakPolarHBondContact CA-O 3.07Å; L302-F402 HydrophobicContact CB-CB 4.28Å; L302-F402 HydrophobicContact CB-CD2 4.32Å; L302-F402 HydrophobicContact CD2-CD2 3.88Å; L302-F402 HydrophobicContact CD2-CE2 4.43Å; L302-F402 HydrophobicContact CG-CD2 4.06Å; L302-F402 PolarHBondContact N-O 3.27Å; L302-F402 PolarHBondContact O-N 2.6Å; I304-F402 HydrophobicContact CD1-CE2 4.24Å; L337-F402 HydrophobicContact CD1-CB 4.16Å; F340-F402 HydrophobicContact CD1-CB 4.13Å; F340-F402 HydrophobicContact CD1-CD1 4.08Å; F340-F402 HydrophobicContact CE1-CB 4.22Å; F340-F402 AromaticContact CE1-CD1 3.87Å; F340-F402 HydrophobicContact CE1-CD1 3.87Å; Y341-F402 AromaticContact CD2-CD2 3.94Å; Y341-F402 HydrophobicContact CD2-CD2 3.94Å; Y341-F402 HydrophobicContact CD2-CE1 4.28Å; Y341-F402 AromaticContact CD2-CE2 3.5Å; Y341-F402 HydrophobicContact CD2-CE2 3.5Å; Y341-F402 VanDerWaalsContact CD2-CE2 3.5Å; Y341-F402 HydrophobicContact CD2-CG 4.49Å; Y341-F402 AromaticContact CD2-CZ 3.69Å; Y341-F402 HydrophobicContact CD2-CZ 3.69Å; Y341-F402 AromaticContact CE2-CE2 3.88Å; Y341-F402 HydrophobicContact CE2-CE2 3.88Å; Y341-F402 HydrophobicContact CE2-CZ 4.07Å; S344-F402 VanDerWaalsContact CB-CE1 3.47Å; I345-F402 HydrophobicContact CD1-CZ 4Å; I345-F402 HydrophobicContact CG1-CZ 4.41Å; F349-F402 AromaticContact CD2-CE1 3.88Å; F349-F402 HydrophobicContact CD2-CE1 3.88Å; F349-F402 HydrophobicContact CD2-CZ 4.04Å; F349-F402 AromaticContact CE2-CE1 3.81Å; F349-F402 HydrophobicContact CE2-CE1 3.81Å; F349-F402 HydrophobicContact CE2-CZ 4.28Å; Y392-F402 WeakPolarHBondContact O-CA 3.47Å; Q400-F402 HydrophobicContact CB-CE2 3.82Å; Q400-F402 HydrophobicContact CB-CZ 4.18Å
403L95.9Very high92.9Very high2 Ų242.3 Ų42.31%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-128.4132.7-172.5-174.168.2000110.4V298 L301 S391 Y392 F401 V405 V417 A418V298-L403 HydrophobicContact CB-CD1 4.35Å; V298-L403 HydrophobicContact CG1-CD1 3.5Å; V298-L403 VanDerWaalsContact CG1-CD1 3.5Å; V298-L403 HydrophobicContact CG2-CD1 3.97Å; L301-L403 HydrophobicContact CB-CD1 3.97Å; S391-L403 CarbonylContact C-O 3.58Å; S391-L403 VanDerWaalsContact CA-O 3.25Å; S391-L403 WeakPolarHBondContact CA-O 3.47Å; Y392-L403 PolarHBondContact N-O 2.86Å; Y392-L403 PolarHBondContact O-N 3.24Å; F401-L403 HydrophobicContact CD1-CB 4.43Å; F401-L403 HydrophobicContact CE1-CB 3.77Å; F401-L403 HydrophobicContact CE1-CD1 4.22Å; F401-L403 HydrophobicContact CE1-CD2 4.17Å; F401-L403 HydrophobicContact CE1-CG 4.28Å; F401-L403 HydrophobicContact CZ-CB 4.15Å; F401-L403 HydrophobicContact CZ-CD1 3.86Å; F401-L403 HydrophobicContact CZ-CG 4.42Å; L403-V405 HydrophobicContact CD2-CG1 3.65Å; L403-V405 HydrophobicContact CG-CG1 3.77Å; L403-V417 HydrophobicContact CD2-CG1 3.98Å; L403-A418 HydrophobicContact CD2-CB 4.08Å
404L94.9Very high92.7Very high0 Ų042.5 Ų42.50%023%0.23CC..EExtended strand (participates in β ladder)trans-107131.2165.9-57.9-172.6000109.4L299 A300 L336 L337 F340 S391L299-L404 HydrophobicContact CB-CB 4.16Å; L299-L404 PolarHBondContact N-O 3.45Å; A300-L404 HydrophobicContact CB-CB 4.11Å; A300-L404 HydrophobicContact CB-CD1 3.98Å; A300-L404 HydrophobicContact CB-CG 4.18Å; A300-L404 PolarHBondContact N-O 2.84Å; A300-L404 PolarHBondContact O-N 2.82Å; L336-L404 HydrophobicContact CB-CD1 3.73Å; L337-L404 HydrophobicContact CB-CD1 3.94Å; L337-L404 HydrophobicContact CB-CG 4.43Å; L337-L404 HydrophobicContact CD1-CG 4.17Å; F340-L404 HydrophobicContact CB-CD2 4.47Å; S391-L404 WeakPolarHBondContact OG-CD2 3Å
405V93.7Very high92.7Very high2 Ų249 Ų491%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-129.4161.9176.7-54.30000111.7D297 V298 K390 L403 V409 L414 V417D297-V405 CarbonylContact O-C 3.53Å; D297-V405 WeakPolarHBondContact O-CA 3.45Å; D297-V405 WeakPolarHBondContact O-CB 3.34Å; V298-V405 HydrophobicContact CG2-CG1 4.35Å; K390-V405 HydrophobicContact CB-CG2 3.72Å; K390-V405 PolarHBondContact N-O 3.33Å; K390-V405 PolarHBondContact O-N 2.78Å; L403-V405 HydrophobicContact CD2-CG1 3.65Å; L403-V405 HydrophobicContact CG-CG1 3.77Å; V405-V409 HydrophobicContact CB-CG2 4.14Å; V405-V409 HydrophobicContact CG2-CB 4Å; V405-V409 HydrophobicContact CG2-CG1 4.34Å; V405-V409 HydrophobicContact CG2-CG2 4.06Å; V405-L414 HydrophobicContact CG2-CD2 3.44Å; V405-L414 VanDerWaalsContact CG2-CD2 3.44Å; V405-V417 HydrophobicContact CG1-CG1 4.25Å
406L92.1Very high92.8Very high45 Ų4552.4 Ų52.424%0.23628%0.276CS..  trans-57.7144.7176.9-73.8171.6000112.2D297 L299 S408 V409D297-L406 HydrophobicContact CB-CD1 4.46Å; D297-L406 PolarHBondContact O-N 3.03Å; L299-L406 HydrophobicContact CD1-CD2 4.25Å; L299-L406 HydrophobicContact CD2-CD2 3.71Å; L299-L406 HydrophobicContact CD2-CG 4.08Å; L299-L406 HydrophobicContact CG-CD2 4.21Å; L299-L406 HydrophobicContact CG-CG 4.28Å; L406-S408 PolarHBondContact O-N 3.32Å; L406-S408 VanDerWaalsContact O-N 3.08Å; L406-V409 PolarHBondContact O-N 3.47Å; L406-V409 VanDerWaalsContact O-N 3.1Å
407P90.2Very high93Very high49 Ų4950.3 Ų50.332%0.31826%0.263SS..THydrogen-bonded Turntrans-56.5-25.3175.1-26.534.6000114.3E387 E388 K390 V409E387-P407 WeakPolarHBondContact O-CG 3.37Å; E388-P407 WeakPolarHBondContact O-CD 3.42Å; E388-P407 WeakPolarHBondContact O-CG 3.28Å; K390-P407 WeakPolarHBondContact CE-O 3.43Å; K390-P407 PolarHBondContact NZ-O 3.14Å; P407-V409 VanDerWaalsContact C-N 3.25Å; P407-V409 PolarHBondContact O-N 2.97Å
408S90.1Very high93.3Very high94 Ų9441.8 Ų41.866%0.65722%0.223SC*.THydrogen-bonded Turntrans-66.7-21.6178.956.40000113.8L406 P410L406-S408 PolarHBondContact O-N 3.32Å; L406-S408 VanDerWaalsContact O-N 3.08Å; S408-P410 WeakPolarHBondContact O-CD 3.3Å
409V90.9Very high93.5Very high7 Ų740.2 Ų40.24%0.04222%0.22CC..SBendtrans-67124.7179.4179.80000109.9D297 K390 V405 L406 P407 T411 A413 L414 V417D297-V409 HydrophobicContact CB-CG2 3.63Å; D297-V409 WeakPolarHBondContact OD2-CG2 3.14Å; K390-V409 VanDerWaalsContact CD-O 3.23Å; K390-V409 WeakPolarHBondContact CD-O 3.25Å; K390-V409 WeakPolarHBondContact CE-O 3.41Å; K390-V409 PolarHBondContact NZ-O 3.41Å; V405-V409 HydrophobicContact CB-CG2 4.14Å; V405-V409 HydrophobicContact CG2-CB 4Å; V405-V409 HydrophobicContact CG2-CG1 4.34Å; V405-V409 HydrophobicContact CG2-CG2 4.06Å; L406-V409 PolarHBondContact O-N 3.47Å; L406-V409 VanDerWaalsContact O-N 3.1Å; P407-V409 VanDerWaalsContact C-N 3.25Å; P407-V409 PolarHBondContact O-N 2.97Å; V409-T411 PolarHBondContact O-N 3.26Å; V409-A413 HydrophobicContact CG1-CB 4.43Å; V409-L414 HydrophobicContact CG1-CD2 4.12Å; V409-V417 HydrophobicContact CG1-CG2 4.4Å
410P93.4Very high93.5Very high59 Ų5944.5 Ų44.538%0.38324%0.24SC..  trans-59.5136.5179.5-23.132.7000112.3S408 F412 A413S408-P410 WeakPolarHBondContact O-CD 3.3Å; P410-F412 HydrophobicContact CB-CD1 3.73Å; P410-F412 HydrophobicContact CB-CE1 3.28Å; P410-F412 HydrophobicContact CB-CE2 4.23Å; P410-F412 HydrophobicContact CB-CG 4.38Å; P410-F412 HydrophobicContact CB-CZ 3.56Å; P410-F412 HydrophobicContact CG-CE1 4.17Å; P410-F412 HydrophobicContact CG-CZ 4.07Å; P410-F412 PolarHBondContact O-N 2.91Å; P410-A413 HydrophobicContact CB-CB 4.43Å; P410-A413 WeakPolarHBondContact O-CB 2.91Å; P410-A413 PolarHBondContact O-N 3.39Å
411T92.9Very high93.4Very high62 Ų6244.5 Ų44.538%0.3824%0.24SC..G310 helixtrans-58.5-36.5-174.7-52.50000112.6Y383 V385 V409 A413 L414Y383-T411 HydrophobicContact CD2-CG2 4.43Å; Y383-T411 HydrophobicContact CE2-CG2 4.08Å; V385-T411 HydrophobicContact CG2-CG2 4.14Å; V409-T411 PolarHBondContact O-N 3.26Å; T411-A413 PolarHBondContact O-N 3.45Å; T411-L414 HydrophobicContact CG2-CD1 4.07Å; T411-L414 WeakPolarHBondContact O-CB 3.34Å; T411-L414 WeakPolarHBondContact O-CG 3.3Å; T411-L414 PolarHBondContact O-N 3.37Å
412F92.3Very high93.3Very high180 Ų18045.1 Ų45.179%0.78924%0.243SC*.G310 helixtrans-65.6-19.8177.365.8-100.1000113.4P410P410-F412 HydrophobicContact CB-CD1 3.73Å; P410-F412 HydrophobicContact CB-CE1 3.28Å; P410-F412 HydrophobicContact CB-CE2 4.23Å; P410-F412 HydrophobicContact CB-CG 4.38Å; P410-F412 HydrophobicContact CB-CZ 3.56Å; P410-F412 HydrophobicContact CG-CE1 4.17Å; P410-F412 HydrophobicContact CG-CZ 4.07Å; P410-F412 PolarHBondContact O-N 2.91Å
413A93.3Very high93.2Very high21 Ų2147.4 Ų47.417%0.17426%0.262CS..G310 helixtrans-88-13.3-179.800000113.1V409 P410 T411 R415 T416 V417V409-A413 HydrophobicContact CG1-CB 4.43Å; P410-A413 HydrophobicContact CB-CB 4.43Å; P410-A413 WeakPolarHBondContact O-CB 2.91Å; P410-A413 PolarHBondContact O-N 3.39Å; T411-A413 PolarHBondContact O-N 3.45Å; A413-R415 VanDerWaalsContact C-N 3.32Å; A413-R415 PolarHBondContact O-N 3.28Å; A413-T416 PolarHBondContact O-N 3.4Å; A413-T416 VanDerWaalsContact O-N 3.13Å; A413-V417 WeakPolarHBondContact O-CG2 3.32Å; A413-V417 PolarHBondContact O-N 3.47Å
414L93.8Very high93Very high4 Ų449 Ų492%0.02127%0.27CS..Hα-helixtrans-56.3-43.6-173.1-67.7177.4000113.1Y383 K390 Y392 V405 V409 T411 V417 A418Y383-L414 HydrophobicContact CD2-CD1 4.47Å; K390-L414 HydrophobicContact CB-CD1 4.18Å; K390-L414 HydrophobicContact CB-CD2 3.87Å; K390-L414 HydrophobicContact CD-CD2 4.31Å; Y392-L414 HydrophobicContact CD2-CB 3.7Å; Y392-L414 HydrophobicContact CE2-CB 4.29Å; Y392-L414 HydrophobicContact CG-CB 4.4Å; V405-L414 HydrophobicContact CG2-CD2 3.44Å; V405-L414 VanDerWaalsContact CG2-CD2 3.44Å; V409-L414 HydrophobicContact CG1-CD2 4.12Å; T411-L414 HydrophobicContact CG2-CD1 4.07Å; T411-L414 WeakPolarHBondContact O-CB 3.34Å; T411-L414 WeakPolarHBondContact O-CG 3.3Å; T411-L414 PolarHBondContact O-N 3.37Å; L414-V417 PolarHBondContact O-N 3.33Å; L414-A418 WeakPolarHBondContact O-CB 3.33Å; L414-A418 PolarHBondContact O-N 2.93Å
415R94.8Very high92.8Very high147 Ų14749 Ų4956%0.55527%0.271SS*.Hα-helixtrans-57.4-53.7176.9176.6-178.5-74.5175.5-0.4110.8Y392 A413 V417 A418 T419Y392-R415 HydrophobicContact CE2-CB 4.18Å; A413-R415 VanDerWaalsContact C-N 3.32Å; A413-R415 PolarHBondContact O-N 3.28Å; R415-V417 VanDerWaalsContact C-N 3.31Å; R415-V417 PolarHBondContact O-N 3.37Å; R415-A418 PolarHBondContact O-N 3.03Å; R415-T419 HydrophobicContact CG-CG2 4.37Å; R415-T419 WeakPolarHBondContact O-CG2 3.24Å; R415-T419 PolarHBondContact O-N 3.48Å; R415-T419 PolarHBondContact O-OG1 2.83Å
416T94.3Very high92.6Very high92 Ų9251.4 Ų51.456%0.56428%0.283SS*.Hα-helixtrans-60.8-42.5-178.2-52.30000111.4A413 T419 Q420A413-T416 PolarHBondContact O-N 3.4Å; A413-T416 VanDerWaalsContact O-N 3.13Å; T416-T419 WeakPolarHBondContact CA-OG1 3.2Å; T416-T419 PolarHBondContact O-OG1 2.9Å; T416-T419 VanDerWaalsContact O-OG1 3.13Å; T416-Q420 WeakPolarHBondContact O-CB 3.5Å; T416-Q420 PolarHBondContact O-N 2.94Å
417V93.3Very high92.4Very high10 Ų1054 Ų546%0.06131%0.305CS..Hα-helixtrans-61.5-47.2177.3172.80000110.6L403 V405 V409 A413 L414 R415 T421L403-V417 HydrophobicContact CD2-CG1 3.98Å; V405-V417 HydrophobicContact CG1-CG1 4.25Å; V409-V417 HydrophobicContact CG1-CG2 4.4Å; A413-V417 WeakPolarHBondContact O-CG2 3.32Å; A413-V417 PolarHBondContact O-N 3.47Å; L414-V417 PolarHBondContact O-N 3.33Å; R415-V417 VanDerWaalsContact C-N 3.31Å; R415-V417 PolarHBondContact O-N 3.37Å; V417-T421 VanDerWaalsContact O-CB 3.3Å; V417-T421 WeakPolarHBondContact O-CB 3.29Å; V417-T421 PolarHBondContact O-N 2.92Å; V417-T421 PolarHBondContact O-OG1 3.04Å
418A93.9Very high92.2Very high0 Ų053.9 Ų53.90%031%0.308CS..Hα-helixtrans-65.6-46.2179.700000112.6Y392 F401 L403 L414 R415 T421 L422Y392-A418 HydrophobicContact CD1-CB 3.26Å; Y392-A418 HydrophobicContact CE1-CB 3.75Å; Y392-A418 HydrophobicContact CG-CB 3.96Å; F401-A418 HydrophobicContact CD1-CB 4.39Å; F401-A418 HydrophobicContact CE1-CB 4.18Å; L403-A418 HydrophobicContact CD2-CB 4.08Å; L414-A418 WeakPolarHBondContact O-CB 3.33Å; L414-A418 PolarHBondContact O-N 2.93Å; R415-A418 PolarHBondContact O-N 3.03Å; A418-T421 PolarHBondContact O-N 3.42Å; A418-L422 WeakPolarHBondContact O-CB 3.12Å; A418-L422 PolarHBondContact O-N 2.86Å
419T94.1Very high91.9Very high59 Ų5950.7 Ų50.736%0.36229%0.285SS..Hα-helixtrans-66.2-39.9-179.953.40000112.2L394 R415 T416 A423L394-T419 HydrophobicContact CD2-CG2 4.24Å; R415-T419 HydrophobicContact CG-CG2 4.37Å; R415-T419 WeakPolarHBondContact O-CG2 3.24Å; R415-T419 PolarHBondContact O-N 3.48Å; R415-T419 PolarHBondContact O-OG1 2.83Å; T416-T419 WeakPolarHBondContact CA-OG1 3.2Å; T416-T419 PolarHBondContact O-OG1 2.9Å; T416-T419 VanDerWaalsContact O-OG1 3.13Å; T419-A423 WeakPolarHBondContact O-CB 3.33Å; T419-A423 PolarHBondContact O-N 3.46Å
420Q93.8Very high91.4Very high100 Ų10054.9 Ų54.947%0.46732%0.32SS..Hα-helixtrans-67.2-45.6177.1-172.263.344.400110.7T416 L422 A423 D424T416-Q420 WeakPolarHBondContact O-CB 3.5Å; T416-Q420 PolarHBondContact O-N 2.94Å; Q420-L422 VanDerWaalsContact C-N 3.3Å; Q420-L422 PolarHBondContact O-N 3.43Å; Q420-A423 PolarHBondContact O-N 3.21Å; Q420-D424 PolarHBondContact NE2-OD1 3.32Å; Q420-D424 WeakPolarHBondContact O-CB 3.37Å; Q420-D424 PolarHBondContact O-N 2.89Å
421T92.9Very high90.8Very high2 Ų252.8 Ų52.81%0.01231%0.305CS..Hα-helixtrans-60.2-42.2178.6-54.50000111.1L294 F401 V417 A418 D424 I425L294-T421 HydrophobicContact CD2-CG2 4.08Å; F401-T421 HydrophobicContact CZ-CG2 3.86Å; V417-T421 VanDerWaalsContact O-CB 3.3Å; V417-T421 WeakPolarHBondContact O-CB 3.29Å; V417-T421 PolarHBondContact O-N 2.92Å; V417-T421 PolarHBondContact O-OG1 3.04Å; A418-T421 PolarHBondContact O-N 3.42Å; T421-D424 PolarHBondContact O-N 3.1Å; T421-I425 HydrophobicContact CG2-CD1 4.04Å; T421-I425 WeakPolarHBondContact O-CD1 3.46Å; T421-I425 VanDerWaalsContact O-CG1 3.27Å; T421-I425 WeakPolarHBondContact O-CG1 3.49Å; T421-I425 PolarHBondContact O-N 3.26Å
422L93.5Very high90.7Very high13 Ų1352.4 Ų52.47%0.06830%0.301CS..Hα-helixtrans-62.3-47.2175.5179.860.6000111.6L303 L394 F401 A418 Q420 D424 I425 I426L303-L422 HydrophobicContact CD1-CD1 3.45Å; L303-L422 VanDerWaalsContact CD1-CD1 3.45Å; L303-L422 HydrophobicContact CD2-CD1 4.31Å; L394-L422 HydrophobicContact CD2-CD2 3.6Å; F401-L422 HydrophobicContact CB-CD1 4.25Å; F401-L422 HydrophobicContact CB-CD2 4.37Å; F401-L422 HydrophobicContact CD1-CB 4.32Å; F401-L422 HydrophobicContact CD2-CD1 4.25Å; F401-L422 HydrophobicContact CG-CB 4.47Å; F401-L422 HydrophobicContact CG-CD1 4.24Å; A418-L422 WeakPolarHBondContact O-CB 3.12Å; A418-L422 PolarHBondContact O-N 2.86Å; Q420-L422 VanDerWaalsContact C-N 3.3Å; Q420-L422 PolarHBondContact O-N 3.43Å; L422-D424 VanDerWaalsContact C-N 3.34Å; L422-D424 PolarHBondContact O-N 3.04Å; L422-I425 PolarHBondContact O-N 3.39Å; L422-I426 HydrophobicContact CD1-CD1 3.69Å; L422-I426 HydrophobicContact CD1-CG1 4.09Å; L422-I426 HydrophobicContact CD2-CD1 4.41Å; L422-I426 HydrophobicContact CG-CD1 3.73Å; L422-I426 HydrophobicContact CG-CG1 4.46Å; L422-I426 WeakPolarHBondContact O-CG1 3.33Å; L422-I426 PolarHBondContact O-N 3.41Å
423A92.7Very high90.6Very high47 Ų4745.6 Ų45.639%0.38828%0.275SS..Hα-helixtrans-62.4-39.9178.600000112.3T419 Q420 I426 S427T419-A423 WeakPolarHBondContact O-CB 3.33Å; T419-A423 PolarHBondContact O-N 3.46Å; Q420-A423 PolarHBondContact O-N 3.21Å; A423-I426 PolarHBondContact O-N 3.25Å; A423-S427 VanDerWaalsContact O-CB 3.24Å; A423-S427 WeakPolarHBondContact O-CB 3.22Å; A423-S427 PolarHBondContact O-N 3.37Å; A423-S427 PolarHBondContact O-OG 2.92Å
424D91.4Very high90.5Very high35 Ų3547 Ų4719%0.18728%0.281CS..Hα-helixtrans-64.2-42.1177.2-66.4-17.9000111.2P293 Q420 T421 L422 S427 A428P293-D424 HydrophobicContact CG-CB 4.2Å; Q420-D424 PolarHBondContact NE2-OD1 3.32Å; Q420-D424 WeakPolarHBondContact O-CB 3.37Å; Q420-D424 PolarHBondContact O-N 2.89Å; T421-D424 PolarHBondContact O-N 3.1Å; L422-D424 VanDerWaalsContact C-N 3.34Å; L422-D424 PolarHBondContact O-N 3.04Å; D424-S427 PolarHBondContact O-OG 3.35Å; D424-A428 VanDerWaalsContact O-CB 3.23Å; D424-A428 WeakPolarHBondContact O-CB 3.43Å; D424-A428 PolarHBondContact O-N 2.95Å
425I90.9Very high90.3Very high1 Ų149.5 Ų49.51%0.00530%0.296CS..Hα-helixtrans-63.9-53.6174.8-65.6162.7000110.2L288 V292 L301 L303 F401 T421 L422 S427 A428 T429L288-I425 HydrophobicContact CD1-CD1 4.32Å; L288-I425 HydrophobicContact CD1-CG1 4.37Å; L288-I425 HydrophobicContact CD2-CG2 4.07Å; V292-I425 HydrophobicContact CG1-CB 4.49Å; V292-I425 HydrophobicContact CG1-CG1 3.73Å; L301-I425 HydrophobicContact CD2-CD1 4.05Å; L303-I425 HydrophobicContact CD2-CB 4.46Å; L303-I425 HydrophobicContact CD2-CG2 3.61Å; F401-I425 HydrophobicContact CE2-CD1 4.14Å; T421-I425 HydrophobicContact CG2-CD1 4.04Å; T421-I425 WeakPolarHBondContact O-CD1 3.46Å; T421-I425 VanDerWaalsContact O-CG1 3.27Å; T421-I425 WeakPolarHBondContact O-CG1 3.49Å; T421-I425 PolarHBondContact O-N 3.26Å; L422-I425 PolarHBondContact O-N 3.39Å; I425-S427 PolarHBondContact O-N 3.29Å; I425-A428 PolarHBondContact O-N 2.9Å; I425-T429 WeakPolarHBondContact O-CB 3.46Å; I425-T429 WeakPolarHBondContact O-CG2 3.36Å; I425-T429 PolarHBondContact O-N 3.06Å; I425-T429 PolarHBondContact O-OG1 2.84Å
426I91.1Very high90Very high53 Ų5343.4 Ų43.427%0.27228%0.28SS..Hα-helixtrans-60.7-46.4-176.3-66.7170.2000111L422 A423 A428 T429 A430L422-I426 HydrophobicContact CD1-CD1 3.69Å; L422-I426 HydrophobicContact CD1-CG1 4.09Å; L422-I426 HydrophobicContact CD2-CD1 4.41Å; L422-I426 HydrophobicContact CG-CD1 3.73Å; L422-I426 HydrophobicContact CG-CG1 4.46Å; L422-I426 WeakPolarHBondContact O-CG1 3.33Å; L422-I426 PolarHBondContact O-N 3.41Å; A423-I426 PolarHBondContact O-N 3.25Å; I426-A428 VanDerWaalsContact C-N 3.31Å; I426-A428 PolarHBondContact O-N 3.36Å; I426-T429 PolarHBondContact O-N 2.94Å; I426-A430 WeakPolarHBondContact O-CA 3.49Å; I426-A430 PolarHBondContact O-N 3.07Å
427S88.1Confident89.7Confident100 Ų10040.2 Ų40.270%0.69926%0.261SS*.Hα-helixtrans-63.1-35.218060.40000113.2A423 D424 I425A423-S427 VanDerWaalsContact O-CB 3.24Å; A423-S427 WeakPolarHBondContact O-CB 3.22Å; A423-S427 PolarHBondContact O-N 3.37Å; A423-S427 PolarHBondContact O-OG 2.92Å; D424-S427 PolarHBondContact O-OG 3.35Å; I425-S427 PolarHBondContact O-N 3.29Å
428A85Confident89.4Confident46 Ų4642.4 Ų42.438%0.3828%0.275SS..Hα-helixtrans-82.4-21.1-179.700000113.9V292 D424 I425 I426V292-A428 HydrophobicContact CG2-CB 3.81Å; D424-A428 VanDerWaalsContact O-CB 3.23Å; D424-A428 WeakPolarHBondContact O-CB 3.43Å; D424-A428 PolarHBondContact O-N 2.95Å; I425-A428 PolarHBondContact O-N 2.9Å; I426-A428 VanDerWaalsContact C-N 3.31Å; I426-A428 PolarHBondContact O-N 3.36Å
429T83.8Confident89.1Confident27 Ų2745.6 Ų45.617%0.16630%0.296CS..Hα-helixtrans-126.9-15.6-167.263.60000115.4V156 P289 V292 I425 I426 F431V156-T429 HydrophobicContact CB-CG2 4.5Å; V156-T429 HydrophobicContact CG1-CG2 3.73Å; P289-T429 HydrophobicContact CG-CG2 4.28Å; V292-T429 HydrophobicContact CG2-CG2 3.7Å; I425-T429 WeakPolarHBondContact O-CB 3.46Å; I425-T429 WeakPolarHBondContact O-CG2 3.36Å; I425-T429 PolarHBondContact O-N 3.06Å; I425-T429 PolarHBondContact O-OG1 2.84Å; I426-T429 PolarHBondContact O-N 2.94Å; T429-F431 PolarHBondContact O-N 2.94Å; T429-F431 VanDerWaalsContact OG1-CB 3.27Å; T429-F431 WeakPolarHBondContact OG1-CB 3.4Å; T429-F431 PolarHBondContact OG1-N 2.96Å
430A80.1Confident88.7Confident94 Ų9444.5 Ų44.578%0.77729%0.291SS*.  trans51.928-169.700000113.8I426I426-A430 WeakPolarHBondContact O-CA 3.49Å; I426-A430 PolarHBondContact O-N 3.07Å
431F81.1Confident88.2Confident16 Ų1639.5 Ų39.57%0.0728%0.275CS..  trans-73.20-175.3-173.9-93.1000114V156 L303 N305 R310 V312 H399 T429V156-F431 HydrophobicContact CG2-CD2 3.97Å; L303-F431 HydrophobicContact CD2-CD1 3.53Å; L303-F431 HydrophobicContact CD2-CE1 4.07Å; L303-F431 HydrophobicContact CD2-CG 4.43Å; L303-F431 HydrophobicContact CG-CD1 3.87Å; L303-F431 HydrophobicContact CG-CE1 3.91Å; N305-F431 HydrophobicContact CB-CD1 4.24Å; N305-F431 HydrophobicContact CB-CE1 3.81Å; N305-F431 HydrophobicContact CB-CZ 4.31Å; N305-F431 PolarHBondContact ND2-OXT 3.05Å; R310-F431 HydrophobicContact CB-CE2 3.89Å; R310-F431 HydrophobicContact CB-CZ 3.61Å; V312-F431 HydrophobicContact CB-CZ 4.38Å; V312-F431 HydrophobicContact CG2-CD2 4.02Å; V312-F431 HydrophobicContact CG2-CE1 4.14Å; V312-F431 HydrophobicContact CG2-CE2 3.48Å; V312-F431 VanDerWaalsContact CG2-CE2 3.48Å; V312-F431 HydrophobicContact CG2-CZ 3.54Å; H399-F431 PolarHBondContact NE2-O 3.23Å; T429-F431 PolarHBondContact O-N 2.94Å; T429-F431 VanDerWaalsContact OG1-CB 3.27Å; T429-F431 WeakPolarHBondContact OG1-CB 3.4Å; T429-F431 PolarHBondContact OG1-N 2.96Å

Retrieved 431 of 431 residues in 103.7 ms (Link to these results)

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