A0A087YID7_POEFO Loading...

Serine/arginine-rich splicing factor 5

AlphaFold DB , UniProt , Accession A0A087YID7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 301 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
1M45.6Very low75.7Confident239 Ų23965.4 Ų65.4100%1.17733%0.332SS*.  099.70-76.8164.7150.200106.7
2S60.2Low75.9Confident91 Ų9161.3 Ų61.364%0.63631%0.314SS*.  trans-113.973.8-178.416.20000107.5V74S2-V74 WeakPolarHBondContact O-CG2 3.49Å
3G61.3Low75.6Confident30 Ų3065.4 Ų65.431%0.30935%0.347SS..  trans-103.9-3.5176.100000113.4R5G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 2.78Å
4C75.1Confident75.6Confident26 Ų2666.9 Ų66.918%0.17637%0.366CS..  trans-80.6-3.5-170.1-32.60000114.2F44C4-F44 HydrophobicContact CB-CB 4.45Å; C4-F44 WeakPolarHBondContact CB-O 3.31Å; C4-F44 PolarHBondContact O-N 2.8Å
5R84.6Confident75.6Confident92 Ų9263.7 Ų63.735%0.34735%0.352SS..EExtended strand (participates in β ladder)trans-98.7126.5-179.4-167.1180-177.8167.65.2110.7G3 D34 F41 V42 A72G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 2.78Å; R5-D34 IonicContact NH2-OD2 3.06Å; R5-F41 VanDerWaalsContact NE-CB 3.33Å; R5-F41 VanDerWaalsContact NH2-CB 3.27Å; R5-V42 CarbonylContact C-O 3.54Å; R5-V42 WeakPolarHBondContact CA-O 3.43Å; R5-A72 HydrophobicContact CB-CB 3.89Å; R5-A72 HydrophobicContact CG-CB 3.62Å; R5-A72 VanDerWaalsContact O-CB 3.24Å; R5-A72 WeakPolarHBondContact O-CB 3.4Å; R5-A72 PolarHBondContact O-N 2.83Å
6I87.6Confident76.1Confident0 Ų071.3 Ų71.30%037%0.373CS..EExtended strand (participates in β ladder)trans-105.9140.2176.5-55.6-174.9000109F24 F41 V42 F44 A50 A53 V54 I69I6-F24 HydrophobicContact CD1-CE1 4.45Å; I6-F41 CarbonylContact O-C 3.56Å; I6-F41 VanDerWaalsContact O-CA 3.23Å; I6-F41 WeakPolarHBondContact O-CA 3.34Å; I6-V42 PolarHBondContact N-O 2.98Å; I6-V42 PolarHBondContact O-N 2.9Å; I6-F44 HydrophobicContact CD1-CD2 3.54Å; I6-F44 HydrophobicContact CD1-CE2 3.22Å; I6-F44 HydrophobicContact CD1-CZ 4.12Å; I6-F44 HydrophobicContact CG1-CD2 3.89Å; I6-F44 HydrophobicContact CG1-CE2 3.94Å; I6-A50 HydrophobicContact CD1-CB 3.78Å; I6-A50 VanDerWaalsContact CD1-O 3.22Å; I6-A50 WeakPolarHBondContact CD1-O 3.35Å; I6-A50 HydrophobicContact CG1-CB 3.85Å; I6-A53 HydrophobicContact CD1-CB 3.93Å; I6-V54 HydrophobicContact CD1-CG2 3.89Å; I6-V54 HydrophobicContact CG1-CG2 4.06Å; I6-V54 HydrophobicContact CG2-CG2 3.94Å; I6-I69 HydrophobicContact CG2-CG2 3.13Å
7F88Confident76.6Confident55 Ų5573.4 Ų73.424%0.24138%0.381CS..EExtended strand (participates in β ladder)trans-102.2134.3169.4167.7-100.9000109.2F39 F41 I69 E70 A72F7-F39 HydrophobicContact CE2-CB 3.72Å; F7-F39 AromaticContact CE2-CD2 3.99Å; F7-F39 HydrophobicContact CE2-CD2 3.99Å; F7-F39 HydrophobicContact CE2-CG 4.17Å; F7-F39 HydrophobicContact CZ-CB 4Å; F7-F41 HydrophobicContact CB-CD1 4.14Å; F7-F41 HydrophobicContact CB-CE1 4.16Å; F7-F41 AromaticContact CD2-CD1 3.98Å; F7-F41 HydrophobicContact CD2-CD1 3.98Å; F7-F41 AromaticContact CD2-CE1 3.5Å; F7-F41 HydrophobicContact CD2-CE1 3.5Å; F7-F41 AromaticContact CD2-CZ 3.86Å; F7-F41 HydrophobicContact CD2-CZ 3.86Å; F7-F41 HydrophobicContact CE2-CE1 4.38Å; F7-F41 HydrophobicContact CE2-CZ 4.32Å; F7-F41 HydrophobicContact CG-CE1 4.28Å; F7-I69 CarbonylContact O-C 3.19Å; F7-I69 WeakPolarHBondContact O-CA 3.41Å; F7-E70 WeakPolarHBondContact CA-O 2.96Å; F7-E70 WeakPolarHBondContact CB-O 2.98Å; F7-E70 HydrophobicContact CD1-CB 4.09Å; F7-E70 PolarHBondContact N-O 3.21Å; F7-E70 PolarHBondContact O-N 3.2Å; F7-A72 HydrophobicContact CB-CB 4.17Å
8I86.1Confident77.1Confident1 Ų177.8 Ų77.81%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-115.3112.3175.1-48.8165.5000107.3L11 V20 F24 F39 G40 V42 V67 T68 I69I8-L11 HydrophobicContact CB-CD1 3.58Å; I8-L11 HydrophobicContact CB-CG 4.32Å; I8-L11 HydrophobicContact CD1-CD1 4.34Å; I8-L11 HydrophobicContact CG2-CD1 3.39Å; I8-L11 HydrophobicContact CG2-CD2 4.19Å; I8-L11 HydrophobicContact CG2-CG 3.57Å; I8-V20 HydrophobicContact CD1-CG1 3.9Å; I8-F24 HydrophobicContact CD1-CE2 3.4Å; I8-F24 HydrophobicContact CD1-CZ 3.7Å; I8-F24 HydrophobicContact CG1-CE2 4.26Å; I8-F24 HydrophobicContact CG1-CZ 4.06Å; I8-F39 CarbonylContact O-C 3.55Å; I8-F39 WeakPolarHBondContact O-CA 3.11Å; I8-F39 WeakPolarHBondContact O-CB 3.27Å; I8-G40 PolarHBondContact N-O 3.43Å; I8-G40 PolarHBondContact O-N 3.06Å; I8-V42 HydrophobicContact CD1-CG2 3.56Å; I8-V42 HydrophobicContact CG1-CG2 4.47Å; I8-V67 HydrophobicContact CG2-CB 3.99Å; I8-V67 HydrophobicContact CG2-CG1 4.27Å; I8-T68 CarbonylContact C-O 3.59Å; I8-T68 WeakPolarHBondContact CA-O 3.37Å; I8-I69 HydrophobicContact CG2-CG1 4.43Å
9G82.7Confident77.5Confident8 Ų876.8 Ų76.88%0.08239%0.392CS..EExtended strand (participates in β ladder)trans-96.7162.2172.100000111.9L11 T68G9-L11 PolarHBondContact O-N 3.44Å; G9-T68 PolarHBondContact N-O 3.15Å; G9-T68 PolarHBondContact O-N 2.92Å
10R81.1Confident77.8Confident170 Ų17073 Ų7364%0.64237%0.373SS*.SBendtrans55.840.1178.1-63.4-174.3168171.8-2.5113G38 R66R10-G38 PolarHBondContact N-O 3.25Å; R10-R66 WeakPolarHBondContact CB-O 3.22Å
11L80.8Confident78.1Confident7 Ų773.9 Ų73.94%0.03738%0.376CS..  trans-75.7132.5168.9-89.9153.5000108.9I8 G9 A15 V20 L35 G38 V67I8-L11 HydrophobicContact CB-CD1 3.58Å; I8-L11 HydrophobicContact CB-CG 4.32Å; I8-L11 HydrophobicContact CD1-CD1 4.34Å; I8-L11 HydrophobicContact CG2-CD1 3.39Å; I8-L11 HydrophobicContact CG2-CD2 4.19Å; I8-L11 HydrophobicContact CG2-CG 3.57Å; G9-L11 PolarHBondContact O-N 3.44Å; L11-A15 HydrophobicContact CB-CB 4.47Å; L11-A15 HydrophobicContact CD2-CB 3.57Å; L11-V20 HydrophobicContact CD2-CG2 4.18Å; L11-L35 HydrophobicContact CD1-CD2 4.38Å; L11-G38 PolarHBondContact N-O 2.86Å; L11-G38 WeakPolarHBondContact O-CA 3.35Å; L11-V67 HydrophobicContact CD2-CG1 4.03Å; L11-V67 HydrophobicContact CG-CG1 4.14Å
12S77.3Confident79.9Confident16 Ų1671.7 Ų71.711%0.11235%0.354CS..  trans-52.3138.7169.8-178.50000109.7S14 A15S12-S14 PolarHBondContact O-N 2.87Å; S12-A15 VanDerWaalsContact O-CB 3.23Å; S12-A15 WeakPolarHBondContact O-CB 3.15Å; S12-A15 PolarHBondContact O-N 2.98Å
13P72.8Confident80.9Confident115 Ų11568.7 Ų68.775%0.74733%0.33SS*.THydrogen-bonded Turntrans-61-14.117723.4-32.5000113.4
14S75.7Confident81.9Confident87 Ų8767.3 Ų67.361%0.60832%0.315SS*.THydrogen-bonded Turntrans-88.2-10.7174.4-58.80000113.9S12 R16S12-S14 PolarHBondContact O-N 2.87Å; S14-R16 PolarHBondContact O-N 3.34Å
15A75.7Confident82Confident19 Ų1973.4 Ų73.416%0.15734%0.339CS..  trans-67126.5-17700000110.8L11 S12L11-A15 HydrophobicContact CB-CB 4.47Å; L11-A15 HydrophobicContact CD2-CB 3.57Å; S12-A15 VanDerWaalsContact O-CB 3.23Å; S12-A15 WeakPolarHBondContact O-CB 3.15Å; S12-A15 PolarHBondContact O-N 2.98Å
16R83.8Confident81.6Confident184 Ų18472.8 Ų72.869%0.69436%0.36SS*.  trans-108166.7179.3-63.6-178.9176.3-174.5-1.8111.2S14 K18 D19 V20S14-R16 PolarHBondContact O-N 3.34Å; R16-K18 PolarHBondContact O-N 2.86Å; R16-D19 PolarHBondContact N-OD2 3.29Å; R16-D19 WeakPolarHBondContact O-CB 3.13Å; R16-D19 PolarHBondContact O-N 2.9Å; R16-V20 PolarHBondContact O-N 2.74Å
17E84.4Confident81.1Confident108 Ų10875.5 Ų75.551%0.50537%0.371SS..Hα-helixtrans-55.7-39.9178.5-169.2-179.717100111.7D19 V20 E21 I33 L35E17-D19 VanDerWaalsContact C-N 3.28Å; E17-D19 PolarHBondContact O-N 2.64Å; E17-V20 PolarHBondContact O-N 3.46Å; E17-E21 WeakPolarHBondContact O-CB 3.25Å; E17-E21 PolarHBondContact O-N 3.5Å; E17-I33 HydrophobicContact CG-CB 3.97Å; E17-I33 HydrophobicContact CG-CD1 3.85Å; E17-I33 HydrophobicContact CG-CG2 3.86Å; E17-L35 HydrophobicContact CB-CD1 4.06Å
18K85.4Confident80.6Confident153 Ų15373.9 Ų73.967%0.66537%0.37SS*.Hα-helixtrans-61.9-33.4176.8-64.4-175.5178.5-177.80113.6R16 R22R16-K18 PolarHBondContact O-N 2.86Å; K18-R22 WeakPolarHBondContact O-CG 3.43Å; K18-R22 PolarHBondContact O-N 2.98Å
19D85.1Confident80.4Confident58 Ų5882.8 Ų82.831%0.3140%0.403SS..Hα-helixtrans-74.6-42.2-179.8-55.5-47.7000109.8R16 E17 R22 F23 L62R16-D19 PolarHBondContact N-OD2 3.29Å; R16-D19 WeakPolarHBondContact O-CB 3.13Å; R16-D19 PolarHBondContact O-N 2.9Å; E17-D19 VanDerWaalsContact C-N 3.28Å; E17-D19 PolarHBondContact O-N 2.64Å; D19-R22 PolarHBondContact O-N 3.39Å; D19-F23 WeakPolarHBondContact O-CB 3.02Å; D19-F23 PolarHBondContact O-N 3.49Å; D19-L62 HydrophobicContact CB-CD2 4.13Å
20V82.8Confident80.5Confident0 Ų084.6 Ų84.60%041%0.411CS..Hα-helixtrans-63.2-46.6173.2174.50000110.2I8 L11 R16 E17 R22 F23 F24 I33 L35 V42I8-V20 HydrophobicContact CD1-CG1 3.9Å; L11-V20 HydrophobicContact CD2-CG2 4.18Å; R16-V20 PolarHBondContact O-N 2.74Å; E17-V20 PolarHBondContact O-N 3.46Å; V20-R22 PolarHBondContact O-N 2.9Å; V20-F23 WeakPolarHBondContact O-CB 3.45Å; V20-F23 PolarHBondContact O-N 2.87Å; V20-F24 HydrophobicContact CG1-CD2 3.63Å; V20-F24 HydrophobicContact CG1-CE2 3.74Å; V20-F24 WeakPolarHBondContact O-CD2 3.22Å; V20-F24 PolarHBondContact O-N 2.79Å; V20-I33 HydrophobicContact CG1-CG2 4.27Å; V20-L35 HydrophobicContact CB-CD2 4.49Å; V20-L35 HydrophobicContact CG1-CD2 4.44Å; V20-L35 HydrophobicContact CG2-CD1 4.03Å; V20-L35 HydrophobicContact CG2-CD2 3.91Å; V20-V42 HydrophobicContact CG1-CG2 3.64Å
21E84.9Confident80.7Confident93 Ų9384.8 Ų84.844%0.43541%0.412SS..Hα-helixtrans-57-49.9176.7-168.6-167.9165.800111.1E17 F23 F24 K25 I30 I33E17-E21 WeakPolarHBondContact O-CB 3.25Å; E17-E21 PolarHBondContact O-N 3.5Å; E21-F23 VanDerWaalsContact C-N 3.26Å; E21-F23 PolarHBondContact O-N 3.48Å; E21-F24 PolarHBondContact O-N 3.12Å; E21-K25 WeakPolarHBondContact O-CB 3.37Å; E21-K25 PolarHBondContact O-N 3.23Å; E21-I30 HydrophobicContact CG-CD1 4.41Å; E21-I33 HydrophobicContact CB-CD1 4.25Å
22R82.7Confident80.8Confident193 Ų19389 Ų8973%0.72843%0.434SS*.Hα-helixtrans-61.5-34.6175.5-79.3-177-161.5-94.4-1.2113.3K18 D19 V20 K25K18-R22 WeakPolarHBondContact O-CG 3.43Å; K18-R22 PolarHBondContact O-N 2.98Å; D19-R22 PolarHBondContact O-N 3.39Å; V20-R22 PolarHBondContact O-N 2.9Å; R22-K25 WeakPolarHBondContact O-CB 3.43Å; R22-K25 PolarHBondContact O-N 3.23Å
23F82.1Confident81.2Confident28 Ų2889.3 Ų89.312%0.12343%0.434CS..Hα-helixtrans-73.3-34.9-177.1179.9-95.4000112.4D19 V20 E21 L57 K60 L62 V67 I69D19-F23 WeakPolarHBondContact O-CB 3.02Å; D19-F23 PolarHBondContact O-N 3.49Å; V20-F23 WeakPolarHBondContact O-CB 3.45Å; V20-F23 PolarHBondContact O-N 2.87Å; E21-F23 VanDerWaalsContact C-N 3.26Å; E21-F23 PolarHBondContact O-N 3.48Å; F23-L57 HydrophobicContact CD1-CD1 3.96Å; F23-L57 HydrophobicContact CD1-CD2 4.24Å; F23-L57 HydrophobicContact CE1-CB 3.56Å; F23-L57 HydrophobicContact CE1-CD1 3.72Å; F23-L57 HydrophobicContact CE1-CD2 3.74Å; F23-L57 HydrophobicContact CE1-CG 3.88Å; F23-L57 HydrophobicContact CE2-CD2 4.13Å; F23-L57 HydrophobicContact CZ-CB 3.77Å; F23-L57 HydrophobicContact CZ-CD1 4.48Å; F23-L57 HydrophobicContact CZ-CD2 3.67Å; F23-L57 HydrophobicContact CZ-CG 4.18Å; F23-K60 HydrophobicContact CE2-CB 3.97Å; F23-K60 HydrophobicContact CE2-CD 3.52Å; F23-K60 HydrophobicContact CE2-CG 3.76Å; F23-K60 HydrophobicContact CZ-CB 3.79Å; F23-K60 HydrophobicContact CZ-CD 3.81Å; F23-K60 HydrophobicContact CZ-CG 4.09Å; F23-L62 HydrophobicContact CB-CD1 3.85Å; F23-L62 HydrophobicContact CD1-CD1 3.72Å; F23-L62 HydrophobicContact CD2-CD1 3.48Å; F23-L62 VanDerWaalsContact CD2-CD1 3.48Å; F23-L62 HydrophobicContact CD2-CG 3.94Å; F23-L62 HydrophobicContact CE1-CD1 3.97Å; F23-L62 HydrophobicContact CE2-CB 4.49Å; F23-L62 HydrophobicContact CE2-CD1 3.77Å; F23-L62 HydrophobicContact CE2-CG 4.19Å; F23-L62 HydrophobicContact CG-CD1 3.42Å; F23-L62 VanDerWaalsContact CG-CD1 3.42Å; F23-L62 HydrophobicContact CG-CG 4.32Å; F23-L62 HydrophobicContact CZ-CD1 4Å; F23-V67 HydrophobicContact CE1-CG2 4.43Å; F23-V67 HydrophobicContact CZ-CG2 4.02Å; F23-I69 HydrophobicContact CE1-CD1 4.04Å
24F82.2Confident81.8Confident0 Ų086.1 Ų86.10%041%0.411CS..Hα-helixtrans-91.5-5.7173.9-71-78.3000113.3I6 I8 V20 E21 G26 Y27 I30 V42 F44 A53 L57 I69I6-F24 HydrophobicContact CD1-CE1 4.45Å; I8-F24 HydrophobicContact CD1-CE2 3.4Å; I8-F24 HydrophobicContact CD1-CZ 3.7Å; I8-F24 HydrophobicContact CG1-CE2 4.26Å; I8-F24 HydrophobicContact CG1-CZ 4.06Å; V20-F24 HydrophobicContact CG1-CD2 3.63Å; V20-F24 HydrophobicContact CG1-CE2 3.74Å; V20-F24 WeakPolarHBondContact O-CD2 3.22Å; V20-F24 PolarHBondContact O-N 2.79Å; E21-F24 PolarHBondContact O-N 3.12Å; F24-G26 PolarHBondContact O-N 2.91Å; F24-Y27 PolarHBondContact O-N 3.33Å; F24-I30 HydrophobicContact CB-CD1 3.7Å; F24-I30 HydrophobicContact CB-CG1 4.32Å; F24-V42 HydrophobicContact CD2-CG2 4.34Å; F24-V42 HydrophobicContact CE2-CG2 4.19Å; F24-F44 HydrophobicContact CB-CZ 3.98Å; F24-F44 HydrophobicContact CD1-CE2 4.12Å; F24-F44 AromaticContact CD1-CZ 3.51Å; F24-F44 HydrophobicContact CD1-CZ 3.51Å; F24-F44 HydrophobicContact CE1-CE2 4.43Å; F24-F44 HydrophobicContact CE1-CZ 4.23Å; F24-F44 AromaticContact CG-CZ 3.93Å; F24-F44 HydrophobicContact CG-CZ 3.93Å; F24-A53 HydrophobicContact CD1-CB 4.01Å; F24-A53 HydrophobicContact CE1-CB 4.07Å; F24-L57 HydrophobicContact CD1-CD1 3.33Å; F24-L57 HydrophobicContact CE1-CD1 3.4Å; F24-L57 HydrophobicContact CG-CD1 4.16Å; F24-L57 HydrophobicContact CZ-CD1 4.2Å; F24-I69 HydrophobicContact CE1-CD1 4.18Å; F24-I69 HydrophobicContact CZ-CD1 3.84Å
25K77.1Confident82.2Confident155 Ų15584.4 Ų84.467%0.67440%0.395SS*.THydrogen-bonded Turntrans-68.2101.2175.3-169.4167.4-173.4168.50110E21 R22E21-K25 WeakPolarHBondContact O-CB 3.37Å; E21-K25 PolarHBondContact O-N 3.23Å; R22-K25 WeakPolarHBondContact O-CB 3.43Å; R22-K25 PolarHBondContact O-N 3.23Å
26G76.3Confident82.6Confident78 Ų7888.4 Ų88.480%0.80441%0.409SS*.THydrogen-bonded Turntrans139.2-23.1-17900000113.1F24F24-G26 PolarHBondContact O-N 2.91Å
27Y75.8Confident82.3Confident57 Ų5791.3 Ų91.322%0.22442%0.419CS..THydrogen-bonded Turntrans-96.8-33.1-176.3-66.6-81.6000113.4F24 D49 A53 E56 L57F24-Y27 PolarHBondContact O-N 3.33Å; Y27-D49 VanDerWaalsContact O-CB 3.29Å; Y27-D49 WeakPolarHBondContact O-CB 3.29Å; Y27-D49 VanDerWaalsContact O-CG 3.27Å; Y27-A53 HydrophobicContact CG-CB 4.3Å; Y27-E56 HydrophobicContact CE1-CB 3.9Å; Y27-E56 HydrophobicContact CE1-CG 4.19Å; Y27-E56 WeakPolarHBondContact CE1-OE2 3.26Å; Y27-E56 VanDerWaalsContact CZ-OE2 3.26Å; Y27-E56 PolarHBondContact OH-OE2 3.33Å; Y27-L57 HydrophobicContact CD2-CD1 3.76Å; Y27-L57 HydrophobicContact CD2-CD2 4.5Å; Y27-L57 HydrophobicContact CD2-CG 4.37Å; Y27-L57 HydrophobicContact CE2-CD1 3.79Å; Y27-L57 HydrophobicContact CE2-CD2 3.69Å; Y27-L57 HydrophobicContact CE2-CG 3.94Å; Y27-L57 HydrophobicContact CG-CD1 4.37Å
28G77.7Confident81.8Confident21 Ų2187.6 Ų87.622%0.21641%0.41CS..  trans-178172.917900000113.5I30 D49G28-I30 PolarHBondContact O-N 2.78Å; G28-D49 WeakPolarHBondContact CA-OD2 3.3Å
29R82.1Confident81.8Confident188 Ų18883.9 Ų83.971%0.70939%0.394SS*.  trans-78.2118.6172.6-72.9-170.8-70.4-124.6-2109.6D45R29-D45 HydrophobicContact CB-CB 4.15Å; R29-D45 IonicContact NH2-OD1 2.79Å; R29-D45 PolarHBondContact O-N 3.31Å
30I85.8Confident81.9Confident46 Ų4681.1 Ų81.124%0.23638%0.38CS..EExtended strand (participates in β ladder)trans-81.2129.3174.5-53.1166.9000108.1E21 F24 G28 I33 V42 F44E21-I30 HydrophobicContact CG-CD1 4.41Å; F24-I30 HydrophobicContact CB-CD1 3.7Å; F24-I30 HydrophobicContact CB-CG1 4.32Å; G28-I30 PolarHBondContact O-N 2.78Å; I30-I33 HydrophobicContact CD1-CD1 4.24Å; I30-I33 HydrophobicContact CG2-CD1 3.9Å; I30-I33 HydrophobicContact CG2-CG1 3.44Å; I30-I33 VanDerWaalsContact CG2-CG1 3.44Å; I30-V42 HydrophobicContact CB-CG1 4.45Å; I30-V42 HydrophobicContact CD1-CG1 4.46Å; I30-V42 HydrophobicContact CG1-CG1 4.16Å; I30-V42 HydrophobicContact CG2-CG1 3.55Å; I30-F44 HydrophobicContact CG1-CE1 4.07Å; I30-F44 HydrophobicContact CG1-CZ 4.22Å
31R85.3Confident82.2Confident175 Ų17583.2 Ų83.266%0.6639%0.389SS*.EExtended strand (participates in β ladder)trans-94.4-40.4-179.8-175.8173.8142.5152.2-1.3111.8E43R31-E43 HydrophobicContact CB-CG 4.44Å; R31-E43 WeakPolarHBondContact CB-O 3.3Å; R31-E43 IonicContact CZ-OE1 3.66Å; R31-E43 PolarHBondContact N-O 2.81Å; R31-E43 IonicContact NE-OE1 3.92Å; R31-E43 PolarHBondContact NE-OE1 3.5Å; R31-E43 IonicContact NH2-OE1 3.07Å
32D81.5Confident82.3Confident94 Ų9478.8 Ų78.850%0.50337%0.368SS..EExtended strand (participates in β ladder)trans-151.9147.8179.1-165.842.1000111.4E43D32-E43 HydrophobicContact CB-CB 4.09Å; D32-E43 PolarHBondContact N-O 2.95Å; D32-E43 PolarHBondContact O-N 2.74Å
33I86.1Confident82.5Confident24 Ų2472.1 Ų72.112%0.12335%0.345CS..EExtended strand (participates in β ladder)trans-130.6117178-53.2172.5000109.3E17 V20 E21 I30 L35 V42E17-I33 HydrophobicContact CG-CB 3.97Å; E17-I33 HydrophobicContact CG-CD1 3.85Å; E17-I33 HydrophobicContact CG-CG2 3.86Å; V20-I33 HydrophobicContact CG1-CG2 4.27Å; E21-I33 HydrophobicContact CB-CD1 4.25Å; I30-I33 HydrophobicContact CD1-CD1 4.24Å; I30-I33 HydrophobicContact CG2-CD1 3.9Å; I30-I33 HydrophobicContact CG2-CG1 3.44Å; I30-I33 VanDerWaalsContact CG2-CG1 3.44Å; I33-L35 HydrophobicContact CG2-CD2 3.93Å; I33-L35 HydrophobicContact CG2-CG 3.88Å; I33-V42 HydrophobicContact CG2-CG2 4.32Å
34D85.6Confident82.7Confident48 Ų4870.9 Ų70.926%0.25734%0.34SS..EExtended strand (participates in β ladder)trans-114.695.1175.8176.430000109.6R5 K36 G40 F41R5-D34 IonicContact NH2-OD2 3.06Å; D34-K36 IonicContact OD1-NZ 2.72Å; D34-K36 IonicContact OD2-NZ 3.2Å; D34-K36 PolarHBondContact OD2-NZ 3.35Å; D34-G40 CarbonylContact O-C 3.5Å; D34-G40 WeakPolarHBondContact O-CA 3.17Å; D34-F41 HydrophobicContact CB-CB 4.35Å; D34-F41 PolarHBondContact N-O 2.77Å; D34-F41 PolarHBondContact O-N 2.78Å
35L84.7Confident82.8Confident51 Ų5175.1 Ų75.127%0.26736%0.362SS..EExtended strand (participates in β ladder)trans-91.6133.9175.7-61-172.5000112.2L11 E17 V20 I33L11-L35 HydrophobicContact CD1-CD2 4.38Å; E17-L35 HydrophobicContact CB-CD1 4.06Å; V20-L35 HydrophobicContact CB-CD2 4.49Å; V20-L35 HydrophobicContact CG1-CD2 4.44Å; V20-L35 HydrophobicContact CG2-CD1 4.03Å; V20-L35 HydrophobicContact CG2-CD2 3.91Å; I33-L35 HydrophobicContact CG2-CD2 3.93Å; I33-L35 HydrophobicContact CG2-CG 3.88Å
36K82.9Confident83.2Confident103 Ų10370.5 Ų70.545%0.44835%0.345SS..EExtended strand (participates in β ladder)trans-123.7168.6173.1-75.4171178.8132.30110D34 G38 F39D34-K36 IonicContact OD1-NZ 2.72Å; D34-K36 IonicContact OD2-NZ 3.2Å; D34-K36 PolarHBondContact OD2-NZ 3.35Å; K36-G38 PolarHBondContact O-N 2.81Å; K36-F39 CarbonylContact C-O 3.43Å; K36-F39 WeakPolarHBondContact CA-O 3.46Å; K36-F39 HydrophobicContact CB-CD1 4.39Å; K36-F39 HydrophobicContact CB-CD2 3.99Å; K36-F39 HydrophobicContact CB-CE1 4.04Å; K36-F39 HydrophobicContact CB-CE2 3.63Å; K36-F39 HydrophobicContact CB-CG 4.36Å; K36-F39 HydrophobicContact CB-CZ 3.65Å; K36-F39 WeakPolarHBondContact CB-O 3.44Å; K36-F39 HydrophobicContact CD-CD2 4.46Å; K36-F39 HydrophobicContact CD-CE2 3.5Å; K36-F39 HydrophobicContact CD-CZ 3.74Å; K36-F39 HydrophobicContact CG-CE2 4.15Å; K36-F39 HydrophobicContact CG-CZ 4.29Å; K36-F39 PolarHBondContact N-O 3.44Å; K36-F39 PolarHBondContact O-N 2.94Å
37R77.2Confident83.5Confident244 Ų24469 Ų6992%0.92132%0.321SS*.THydrogen-bonded Turntrans-66.1109.4-179.3-64.5-176.1-178.5-153.20.4109.8F39R37-F39 WeakPolarHBondContact O-CD1 3.21Å
38G74.4Confident83.9Confident30 Ų3074.8 Ų74.831%0.30934%0.343SS..THydrogen-bonded Turntrans88-4178.100000115.7R10 L11 K36R10-G38 PolarHBondContact N-O 3.25Å; L11-G38 PolarHBondContact N-O 2.86Å; L11-G38 WeakPolarHBondContact O-CA 3.35Å; K36-G38 PolarHBondContact O-N 2.81Å
39F84.9Confident84.3Confident76 Ų7676 Ų7633%0.33334%0.344SS..EExtended strand (participates in β ladder)trans-161.3155.1178.462.3-84.8000111.6F7 I8 K36 R37 F41F7-F39 HydrophobicContact CE2-CB 3.72Å; F7-F39 AromaticContact CE2-CD2 3.99Å; F7-F39 HydrophobicContact CE2-CD2 3.99Å; F7-F39 HydrophobicContact CE2-CG 4.17Å; F7-F39 HydrophobicContact CZ-CB 4Å; I8-F39 CarbonylContact O-C 3.55Å; I8-F39 WeakPolarHBondContact O-CA 3.11Å; I8-F39 WeakPolarHBondContact O-CB 3.27Å; K36-F39 CarbonylContact C-O 3.43Å; K36-F39 WeakPolarHBondContact CA-O 3.46Å; K36-F39 HydrophobicContact CB-CD1 4.39Å; K36-F39 HydrophobicContact CB-CD2 3.99Å; K36-F39 HydrophobicContact CB-CE1 4.04Å; K36-F39 HydrophobicContact CB-CE2 3.63Å; K36-F39 HydrophobicContact CB-CG 4.36Å; K36-F39 HydrophobicContact CB-CZ 3.65Å; K36-F39 WeakPolarHBondContact CB-O 3.44Å; K36-F39 HydrophobicContact CD-CD2 4.46Å; K36-F39 HydrophobicContact CD-CE2 3.5Å; K36-F39 HydrophobicContact CD-CZ 3.74Å; K36-F39 HydrophobicContact CG-CE2 4.15Å; K36-F39 HydrophobicContact CG-CZ 4.29Å; K36-F39 PolarHBondContact N-O 3.44Å; K36-F39 PolarHBondContact O-N 2.94Å; R37-F39 WeakPolarHBondContact O-CD1 3.21Å; F39-F41 AromaticContact CD2-CE2 3.96Å; F39-F41 HydrophobicContact CD2-CE2 3.96Å; F39-F41 HydrophobicContact CD2-CZ 4.39Å; F39-F41 AromaticContact CE2-CE2 3.93Å; F39-F41 HydrophobicContact CE2-CE2 3.93Å; F39-F41 HydrophobicContact CE2-CZ 4.45Å
40G87.8Confident84.3Confident0 Ų067.1 Ų67.10%031%0.31CS..EExtended strand (participates in β ladder)trans-142168.5-179.500000112I8 D34I8-G40 PolarHBondContact N-O 3.43Å; I8-G40 PolarHBondContact O-N 3.06Å; D34-G40 CarbonylContact O-C 3.5Å; D34-G40 WeakPolarHBondContact O-CA 3.17Å
41F88.4Confident84.2Confident43 Ų4370 Ų7019%0.18932%0.323CS..EExtended strand (participates in β ladder)trans-129.6140.9170.3-56.8-90.4000109.6R5 I6 F7 D34 F39 A72R5-F41 VanDerWaalsContact NE-CB 3.33Å; R5-F41 VanDerWaalsContact NH2-CB 3.27Å; I6-F41 CarbonylContact O-C 3.56Å; I6-F41 VanDerWaalsContact O-CA 3.23Å; I6-F41 WeakPolarHBondContact O-CA 3.34Å; F7-F41 HydrophobicContact CB-CD1 4.14Å; F7-F41 HydrophobicContact CB-CE1 4.16Å; F7-F41 AromaticContact CD2-CD1 3.98Å; F7-F41 HydrophobicContact CD2-CD1 3.98Å; F7-F41 AromaticContact CD2-CE1 3.5Å; F7-F41 HydrophobicContact CD2-CE1 3.5Å; F7-F41 AromaticContact CD2-CZ 3.86Å; F7-F41 HydrophobicContact CD2-CZ 3.86Å; F7-F41 HydrophobicContact CE2-CE1 4.38Å; F7-F41 HydrophobicContact CE2-CZ 4.32Å; F7-F41 HydrophobicContact CG-CE1 4.28Å; D34-F41 HydrophobicContact CB-CB 4.35Å; D34-F41 PolarHBondContact N-O 2.77Å; D34-F41 PolarHBondContact O-N 2.78Å; F39-F41 AromaticContact CD2-CE2 3.96Å; F39-F41 HydrophobicContact CD2-CE2 3.96Å; F39-F41 HydrophobicContact CD2-CZ 4.39Å; F39-F41 AromaticContact CE2-CE2 3.93Å; F39-F41 HydrophobicContact CE2-CE2 3.93Å; F39-F41 HydrophobicContact CE2-CZ 4.45Å; F41-A72 HydrophobicContact CD1-CB 4.1Å; F41-A72 HydrophobicContact CE1-CB 4.43Å
42V87.7Confident84.2Confident0 Ų066.4 Ų66.40%032%0.317CS..EExtended strand (participates in β ladder)trans-126.6126.8176.2-1790000107.4R5 I6 I8 V20 F24 I30 I33 F44R5-V42 CarbonylContact C-O 3.54Å; R5-V42 WeakPolarHBondContact CA-O 3.43Å; I6-V42 PolarHBondContact N-O 2.98Å; I6-V42 PolarHBondContact O-N 2.9Å; I8-V42 HydrophobicContact CD1-CG2 3.56Å; I8-V42 HydrophobicContact CG1-CG2 4.47Å; V20-V42 HydrophobicContact CG1-CG2 3.64Å; F24-V42 HydrophobicContact CD2-CG2 4.34Å; F24-V42 HydrophobicContact CE2-CG2 4.19Å; I30-V42 HydrophobicContact CB-CG1 4.45Å; I30-V42 HydrophobicContact CD1-CG1 4.46Å; I30-V42 HydrophobicContact CG1-CG1 4.16Å; I30-V42 HydrophobicContact CG2-CG1 3.55Å; I33-V42 HydrophobicContact CG2-CG2 4.32Å; V42-F44 HydrophobicContact CB-CE2 4.06Å; V42-F44 HydrophobicContact CG1-CD2 3.94Å; V42-F44 HydrophobicContact CG1-CE2 3.37Å; V42-F44 HydrophobicContact CG1-CZ 3.93Å
43E86.8Confident84.3Confident54 Ų5461.9 Ų61.925%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-100.7124.3172.7-169.5170.7144.300108.6R31 D32R31-E43 HydrophobicContact CB-CG 4.44Å; R31-E43 WeakPolarHBondContact CB-O 3.3Å; R31-E43 IonicContact CZ-OE1 3.66Å; R31-E43 PolarHBondContact N-O 2.81Å; R31-E43 IonicContact NE-OE1 3.92Å; R31-E43 PolarHBondContact NE-OE1 3.5Å; R31-E43 IonicContact NH2-OE1 3.07Å; D32-E43 HydrophobicContact CB-CB 4.09Å; D32-E43 PolarHBondContact N-O 2.95Å; D32-E43 PolarHBondContact O-N 2.74Å
44F86.2Confident84.2Confident2 Ų261.8 Ų61.81%0.00929%0.293CS..EExtended strand (participates in β ladder)trans-93.8157.6173.9-76.3-95.7000110.7C4 I6 F24 I30 V42 D46 D49 A50 A53C4-F44 HydrophobicContact CB-CB 4.45Å; C4-F44 WeakPolarHBondContact CB-O 3.31Å; C4-F44 PolarHBondContact O-N 2.8Å; I6-F44 HydrophobicContact CD1-CD2 3.54Å; I6-F44 HydrophobicContact CD1-CE2 3.22Å; I6-F44 HydrophobicContact CD1-CZ 4.12Å; I6-F44 HydrophobicContact CG1-CD2 3.89Å; I6-F44 HydrophobicContact CG1-CE2 3.94Å; F24-F44 HydrophobicContact CB-CZ 3.98Å; F24-F44 HydrophobicContact CD1-CE2 4.12Å; F24-F44 AromaticContact CD1-CZ 3.51Å; F24-F44 HydrophobicContact CD1-CZ 3.51Å; F24-F44 HydrophobicContact CE1-CE2 4.43Å; F24-F44 HydrophobicContact CE1-CZ 4.23Å; F24-F44 AromaticContact CG-CZ 3.93Å; F24-F44 HydrophobicContact CG-CZ 3.93Å; I30-F44 HydrophobicContact CG1-CE1 4.07Å; I30-F44 HydrophobicContact CG1-CZ 4.22Å; V42-F44 HydrophobicContact CB-CE2 4.06Å; V42-F44 HydrophobicContact CG1-CD2 3.94Å; V42-F44 HydrophobicContact CG1-CE2 3.37Å; V42-F44 HydrophobicContact CG1-CZ 3.93Å; F44-D46 WeakPolarHBondContact CB-O 3.43Å; F44-D49 HydrophobicContact CD1-CB 4.28Å; F44-A50 HydrophobicContact CB-CB 3.99Å; F44-A50 HydrophobicContact CD2-CB 3.93Å; F44-A50 HydrophobicContact CG-CB 4.01Å; F44-A53 HydrophobicContact CZ-CB 4.24Å
45D85.4Confident84.1Confident88 Ų8869 Ų6947%0.47132%0.318SS..SBendtrans-71.3-45.6170.9-162.2-130000110.8R29R29-D45 HydrophobicContact CB-CB 4.15Å; R29-D45 IonicContact NH2-OD1 2.79Å; R29-D45 PolarHBondContact O-N 3.31Å
46D84.1Confident83.9Confident58 Ų5872 Ų7231%0.3133%0.331SS..  trans-104.5130.5178.7-157.9-50.8000111.4F44 R48 D49 A50F44-D46 WeakPolarHBondContact CB-O 3.43Å; D46-R48 VanDerWaalsContact C-N 3.25Å; D46-R48 PolarHBondContact O-N 2.72Å; D46-R48 VanDerWaalsContact OD1-CB 3.3Å; D46-R48 WeakPolarHBondContact OD1-CB 3.47Å; D46-R48 WeakPolarHBondContact OD1-CG 3.39Å; D46-R48 PolarHBondContact OD1-N 2.98Å; D46-D49 HydrophobicContact CB-CB 4.15Å; D46-A50 PolarHBondContact O-N 2.81Å
47P82.4Confident83.8Confident47 Ų4767.1 Ų67.131%0.30531%0.31SS..Hα-helixtrans-65.2-25.4173.427.5-35.7000113.7A50 E51P47-A50 WeakPolarHBondContact O-CB 3.42Å; P47-A50 PolarHBondContact O-N 3.34Å; P47-E51 WeakPolarHBondContact O-CG 3.46Å; P47-E51 PolarHBondContact O-N 3.45Å
48R84.9Confident84.1Confident179 Ų17959.5 Ų59.568%0.67529%0.287SS*.Hα-helixtrans-71.2-46.8179.4-59174.1-166.7-172.54.7111D46 A50 E51 D52D46-R48 VanDerWaalsContact C-N 3.25Å; D46-R48 PolarHBondContact O-N 2.72Å; D46-R48 VanDerWaalsContact OD1-CB 3.3Å; D46-R48 WeakPolarHBondContact OD1-CB 3.47Å; D46-R48 WeakPolarHBondContact OD1-CG 3.39Å; D46-R48 PolarHBondContact OD1-N 2.98Å; R48-A50 PolarHBondContact O-N 3.41Å; R48-E51 WeakPolarHBondContact O-CB 3.09Å; R48-E51 PolarHBondContact O-N 2.8Å; R48-D52 PolarHBondContact O-N 3.31Å
49D85.3Confident84.2Confident47 Ų4759.5 Ų59.525%0.25129%0.287SS..Hα-helixtrans-56-36.4172.3-66.35.6000110.8Y27 G28 F44 D46 A53Y27-D49 VanDerWaalsContact O-CB 3.29Å; Y27-D49 WeakPolarHBondContact O-CB 3.29Å; Y27-D49 VanDerWaalsContact O-CG 3.27Å; G28-D49 WeakPolarHBondContact CA-OD2 3.3Å; F44-D49 HydrophobicContact CD1-CB 4.28Å; D46-D49 HydrophobicContact CB-CB 4.15Å; D49-A53 VanDerWaalsContact O-CB 3.22Å; D49-A53 WeakPolarHBondContact O-CB 3.26Å; D49-A53 PolarHBondContact O-N 2.85Å
50A83.4Confident83.9Confident0 Ų060.3 Ų60.30%029%0.29CS..Hα-helixtrans-67.8-41.5176.900000112.5I6 F44 D46 P47 R48 A53 V54I6-A50 HydrophobicContact CD1-CB 3.78Å; I6-A50 VanDerWaalsContact CD1-O 3.22Å; I6-A50 WeakPolarHBondContact CD1-O 3.35Å; I6-A50 HydrophobicContact CG1-CB 3.85Å; F44-A50 HydrophobicContact CB-CB 3.99Å; F44-A50 HydrophobicContact CD2-CB 3.93Å; F44-A50 HydrophobicContact CG-CB 4.01Å; D46-A50 PolarHBondContact O-N 2.81Å; P47-A50 WeakPolarHBondContact O-CB 3.42Å; P47-A50 PolarHBondContact O-N 3.34Å; R48-A50 PolarHBondContact O-N 3.41Å; A50-A53 PolarHBondContact O-N 3.44Å; A50-V54 WeakPolarHBondContact O-CG2 3.46Å; A50-V54 PolarHBondContact O-N 3.3Å
51E83.3Confident83.4Confident108 Ų10866.2 Ų66.251%0.50532%0.318SS..Hα-helixtrans-63.9-44.8175.9-73.2171.5-159.700111.7P47 R48 A53 V54 Y55 H71P47-E51 WeakPolarHBondContact O-CG 3.46Å; P47-E51 PolarHBondContact O-N 3.45Å; R48-E51 WeakPolarHBondContact O-CB 3.09Å; R48-E51 PolarHBondContact O-N 2.8Å; E51-A53 VanDerWaalsContact C-N 3.34Å; E51-A53 PolarHBondContact O-N 2.9Å; E51-V54 PolarHBondContact O-N 3.24Å; E51-Y55 PolarHBondContact O-N 2.76Å; E51-H71 VanDerWaalsContact CG-CE1 3.43Å; E51-H71 WeakPolarHBondContact CG-CE1 3.28Å
52D84.7Confident82.4Confident98 Ų9864.8 Ų64.852%0.52431%0.312SS..Hα-helixtrans-63.1-41.8176.7-70.9-21.3000111.3R48 V54 Y55 E56R48-D52 PolarHBondContact O-N 3.31Å; D52-V54 PolarHBondContact O-N 3.31Å; D52-Y55 PolarHBondContact O-N 3.01Å; D52-E56 PolarHBondContact O-N 3.03Å
53A83.8Confident81.2Confident0 Ų067.3 Ų67.30%033%0.329CS..Hα-helixtrans-62.2-41.3174.100000112.3I6 F24 Y27 F44 D49 A50 E51 Y55 L57I6-A53 HydrophobicContact CD1-CB 3.93Å; F24-A53 HydrophobicContact CD1-CB 4.01Å; F24-A53 HydrophobicContact CE1-CB 4.07Å; Y27-A53 HydrophobicContact CG-CB 4.3Å; F44-A53 HydrophobicContact CZ-CB 4.24Å; D49-A53 VanDerWaalsContact O-CB 3.22Å; D49-A53 WeakPolarHBondContact O-CB 3.26Å; D49-A53 PolarHBondContact O-N 2.85Å; A50-A53 PolarHBondContact O-N 3.44Å; E51-A53 VanDerWaalsContact C-N 3.34Å; E51-A53 PolarHBondContact O-N 2.9Å; A53-Y55 VanDerWaalsContact C-N 3.34Å; A53-L57 HydrophobicContact CB-CD1 4.14Å; A53-L57 WeakPolarHBondContact O-CB 3.15Å; A53-L57 WeakPolarHBondContact O-CG 3.4Å; A53-L57 PolarHBondContact O-N 3.18Å
54V84.9Confident80.6Confident21 Ų2172.7 Ų72.713%0.12736%0.36CS..Hα-helixtrans-61.8-44175.2174.80000110.7I6 A50 E51 D52 D58 I69I6-V54 HydrophobicContact CD1-CG2 3.89Å; I6-V54 HydrophobicContact CG1-CG2 4.06Å; I6-V54 HydrophobicContact CG2-CG2 3.94Å; A50-V54 WeakPolarHBondContact O-CG2 3.46Å; A50-V54 PolarHBondContact O-N 3.3Å; E51-V54 PolarHBondContact O-N 3.24Å; D52-V54 PolarHBondContact O-N 3.31Å; V54-D58 WeakPolarHBondContact O-CB 3.16Å; V54-D58 PolarHBondContact O-N 3.23Å; V54-I69 HydrophobicContact CB-CG2 4.18Å; V54-I69 HydrophobicContact CG1-CG2 4.32Å; V54-I69 HydrophobicContact CG2-CG2 3.76Å
55Y82.9Confident80Confident200 Ų20076.5 Ų76.578%0.78438%0.378SS*.Hα-helixtrans-66.8-43.1-176.4-174-98.3000113.1E51 D52 A53E51-Y55 PolarHBondContact O-N 2.76Å; D52-Y55 PolarHBondContact O-N 3.01Å; A53-Y55 VanDerWaalsContact C-N 3.34Å
56E80.9Confident79.9Confident115 Ų11579.6 Ų79.654%0.53738%0.383SS..Hα-helixtrans-86.7-27.4-175.7-72.5-160.2-172.800114.5Y27 D52Y27-E56 HydrophobicContact CE1-CB 3.9Å; Y27-E56 HydrophobicContact CE1-CG 4.19Å; Y27-E56 WeakPolarHBondContact CE1-OE2 3.26Å; Y27-E56 VanDerWaalsContact CZ-OE2 3.26Å; Y27-E56 PolarHBondContact OH-OE2 3.33Å; D52-E56 PolarHBondContact O-N 3.03Å
57L80.1Confident79.9Confident0 Ų076.8 Ų76.80%037%0.368CS..Hα-helixtrans-102.2-11.3-171.9-58.1171.1000113.1F23 F24 Y27 A53 G59 K60 I69F23-L57 HydrophobicContact CD1-CD1 3.96Å; F23-L57 HydrophobicContact CD1-CD2 4.24Å; F23-L57 HydrophobicContact CE1-CB 3.56Å; F23-L57 HydrophobicContact CE1-CD1 3.72Å; F23-L57 HydrophobicContact CE1-CD2 3.74Å; F23-L57 HydrophobicContact CE1-CG 3.88Å; F23-L57 HydrophobicContact CE2-CD2 4.13Å; F23-L57 HydrophobicContact CZ-CB 3.77Å; F23-L57 HydrophobicContact CZ-CD1 4.48Å; F23-L57 HydrophobicContact CZ-CD2 3.67Å; F23-L57 HydrophobicContact CZ-CG 4.18Å; F24-L57 HydrophobicContact CD1-CD1 3.33Å; F24-L57 HydrophobicContact CE1-CD1 3.4Å; F24-L57 HydrophobicContact CG-CD1 4.16Å; F24-L57 HydrophobicContact CZ-CD1 4.2Å; Y27-L57 HydrophobicContact CD2-CD1 3.76Å; Y27-L57 HydrophobicContact CD2-CD2 4.5Å; Y27-L57 HydrophobicContact CD2-CG 4.37Å; Y27-L57 HydrophobicContact CE2-CD1 3.79Å; Y27-L57 HydrophobicContact CE2-CD2 3.69Å; Y27-L57 HydrophobicContact CE2-CG 3.94Å; Y27-L57 HydrophobicContact CG-CD1 4.37Å; A53-L57 HydrophobicContact CB-CD1 4.14Å; A53-L57 WeakPolarHBondContact O-CB 3.15Å; A53-L57 WeakPolarHBondContact O-CG 3.4Å; A53-L57 PolarHBondContact O-N 3.18Å; L57-G59 PolarHBondContact O-N 2.95Å; L57-K60 HydrophobicContact CD2-CD 3.63Å; L57-K60 WeakPolarHBondContact O-CB 3.35Å; L57-K60 PolarHBondContact O-N 3.35Å; L57-I69 HydrophobicContact CB-CD1 3.25Å; L57-I69 VanDerWaalsContact O-CD1 3.24Å; L57-I69 WeakPolarHBondContact O-CD1 3.19Å
58D83.8Confident80Confident84 Ų8477.2 Ų77.245%0.44937%0.369SS..THydrogen-bonded Turntrans-62.1126.5172.4-176.3-123.4000111V54 K60 T68 I69V54-D58 WeakPolarHBondContact O-CB 3.16Å; V54-D58 PolarHBondContact O-N 3.23Å; D58-K60 VanDerWaalsContact C-N 3.29Å; D58-K60 PolarHBondContact O-N 2.96Å; D58-T68 WeakPolarHBondContact OD2-CA 3.46Å; D58-I69 HydrophobicContact CB-CB 4.2Å; D58-I69 PolarHBondContact OD2-N 3.08Å
59G77.6Confident80.1Confident29 Ų2969 Ų6930%0.29934%0.339SS..THydrogen-bonded Turntrans79.93.6-179.800000115.3L57 V67L57-G59 PolarHBondContact O-N 2.95Å; G59-V67 VanDerWaalsContact CA-O 3.24Å; G59-V67 WeakPolarHBondContact CA-O 3.45Å; G59-V67 PolarHBondContact N-O 3.49Å
60K78.5Confident80Confident94 Ų9470.3 Ų70.341%0.40934%0.343SS..  trans-73151.8175.4-161166.5176.4-179.70110.5F23 L57 D58 V67F23-K60 HydrophobicContact CE2-CB 3.97Å; F23-K60 HydrophobicContact CE2-CD 3.52Å; F23-K60 HydrophobicContact CE2-CG 3.76Å; F23-K60 HydrophobicContact CZ-CB 3.79Å; F23-K60 HydrophobicContact CZ-CD 3.81Å; F23-K60 HydrophobicContact CZ-CG 4.09Å; L57-K60 HydrophobicContact CD2-CD 3.63Å; L57-K60 WeakPolarHBondContact O-CB 3.35Å; L57-K60 PolarHBondContact O-N 3.35Å; D58-K60 VanDerWaalsContact C-N 3.29Å; D58-K60 PolarHBondContact O-N 2.96Å; K60-V67 VanDerWaalsContact O-CG2 3.28Å; K60-V67 WeakPolarHBondContact O-CG2 3.42Å; K60-V67 PolarHBondContact O-N 3.05Å
61E75.8Confident79.9Confident123 Ų12373.8 Ų73.858%0.57536%0.36SS*.EExtended strand (participates in β ladder)trans-88.4118.4-177.2-68.6177.2174.300109.8E65 R66E61-E65 WeakPolarHBondContact CA-O 3.21Å; E61-R66 HydrophobicContact CG-CG 3.87Å; E61-R66 IonicContact OE1-CZ 3.66Å; E61-R66 IonicContact OE1-NE 2.89Å; E61-R66 PolarHBondContact OE1-NE 2.97Å; E61-R66 IonicContact OE1-NH2 3.2Å; E61-R66 PolarHBondContact OE1-NH2 3.37Å
62L68.6Low79.3Confident13 Ų1369.3 Ų69.37%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-123.6116.6177.7-145163.8000107.3D19 F23 N64 E65 V67D19-L62 HydrophobicContact CB-CD2 4.13Å; F23-L62 HydrophobicContact CB-CD1 3.85Å; F23-L62 HydrophobicContact CD1-CD1 3.72Å; F23-L62 HydrophobicContact CD2-CD1 3.48Å; F23-L62 VanDerWaalsContact CD2-CD1 3.48Å; F23-L62 HydrophobicContact CD2-CG 3.94Å; F23-L62 HydrophobicContact CE1-CD1 3.97Å; F23-L62 HydrophobicContact CE2-CB 4.49Å; F23-L62 HydrophobicContact CE2-CD1 3.77Å; F23-L62 HydrophobicContact CE2-CG 4.19Å; F23-L62 HydrophobicContact CG-CD1 3.42Å; F23-L62 VanDerWaalsContact CG-CD1 3.42Å; F23-L62 HydrophobicContact CG-CG 4.32Å; F23-L62 HydrophobicContact CZ-CD1 4Å; L62-N64 VanDerWaalsContact C-N 3.31Å; L62-N64 PolarHBondContact O-N 3.21Å; L62-E65 PolarHBondContact N-O 2.91Å; L62-E65 PolarHBondContact O-N 3.09Å; L62-V67 HydrophobicContact CB-CG1 3.67Å; L62-V67 HydrophobicContact CB-CG2 4.32Å; L62-V67 HydrophobicContact CD1-CG1 4.43Å
63C62.7Low78.3Confident54 Ų5473 Ų7337%0.36535%0.348SS..THydrogen-bonded Turntrans53.643.5-176.2-60.70000113.9E65C63-E65 VanDerWaalsContact C-N 3.27Å; C63-E65 PolarHBondContact O-N 2.7Å
64N72.9Confident76.8Confident167 Ų16776.8 Ų76.889%0.89337%0.371SS*.THydrogen-bonded Turntrans69.710.6178.9-47.8-55.4000115.9L62L62-N64 VanDerWaalsContact C-N 3.31Å; L62-N64 PolarHBondContact O-N 3.21Å
65E74.7Confident75Confident82 Ų8286.3 Ų86.338%0.38340%0.404SS..EExtended strand (participates in β ladder)trans-121.7143.3174.1-156.4164.5155.500110E61 L62 C63 V67E61-E65 WeakPolarHBondContact CA-O 3.21Å; L62-E65 PolarHBondContact N-O 2.91Å; L62-E65 PolarHBondContact O-N 3.09Å; C63-E65 VanDerWaalsContact C-N 3.27Å; C63-E65 PolarHBondContact O-N 2.7Å; E65-V67 PolarHBondContact O-N 3.39Å
66R81.8Confident73.2Confident152 Ų15284.7 Ų84.757%0.57441%0.408SS*.EExtended strand (participates in β ladder)trans-79.1109.8177.7-72.5179.6179.2-100.1-11109R10 E61R10-R66 WeakPolarHBondContact CB-O 3.22Å; E61-R66 HydrophobicContact CG-CG 3.87Å; E61-R66 IonicContact OE1-CZ 3.66Å; E61-R66 IonicContact OE1-NE 2.89Å; E61-R66 PolarHBondContact OE1-NE 2.97Å; E61-R66 IonicContact OE1-NH2 3.2Å; E61-R66 PolarHBondContact OE1-NH2 3.37Å
67V84.3Confident71.5Confident0 Ų091 Ų910%043%0.427CS..  trans-76141.7176.9-64.90000109.9I8 L11 F23 G59 K60 L62 E65 I69I8-V67 HydrophobicContact CG2-CB 3.99Å; I8-V67 HydrophobicContact CG2-CG1 4.27Å; L11-V67 HydrophobicContact CD2-CG1 4.03Å; L11-V67 HydrophobicContact CG-CG1 4.14Å; F23-V67 HydrophobicContact CE1-CG2 4.43Å; F23-V67 HydrophobicContact CZ-CG2 4.02Å; G59-V67 VanDerWaalsContact CA-O 3.24Å; G59-V67 WeakPolarHBondContact CA-O 3.45Å; G59-V67 PolarHBondContact N-O 3.49Å; K60-V67 VanDerWaalsContact O-CG2 3.28Å; K60-V67 WeakPolarHBondContact O-CG2 3.42Å; K60-V67 PolarHBondContact O-N 3.05Å; L62-V67 HydrophobicContact CB-CG1 3.67Å; L62-V67 HydrophobicContact CB-CG2 4.32Å; L62-V67 HydrophobicContact CD1-CG1 4.43Å; E65-V67 PolarHBondContact O-N 3.39Å; V67-I69 HydrophobicContact CG2-CD1 4.48Å; V67-I69 HydrophobicContact CG2-CG1 4.42Å
68T84.7Confident69.8Low55 Ų5594.9 Ų94.934%0.33747%0.467SS..EExtended strand (participates in β ladder)trans-106.8128.2172.9-57.20000108I8 G9 D58I8-T68 CarbonylContact C-O 3.59Å; I8-T68 WeakPolarHBondContact CA-O 3.37Å; G9-T68 PolarHBondContact N-O 3.15Å; G9-T68 PolarHBondContact O-N 2.92Å; D58-T68 WeakPolarHBondContact OD2-CA 3.46Å
69I86.8Confident67.8Low7 Ų794.4 Ų94.44%0.03648%0.483CS..EExtended strand (participates in β ladder)trans-115123-176.8-56.7-177.6000108.2I6 F7 I8 F23 F24 V54 L57 D58 V67I6-I69 HydrophobicContact CG2-CG2 3.13Å; F7-I69 CarbonylContact O-C 3.19Å; F7-I69 WeakPolarHBondContact O-CA 3.41Å; I8-I69 HydrophobicContact CG2-CG1 4.43Å; F23-I69 HydrophobicContact CE1-CD1 4.04Å; F24-I69 HydrophobicContact CE1-CD1 4.18Å; F24-I69 HydrophobicContact CZ-CD1 3.84Å; V54-I69 HydrophobicContact CB-CG2 4.18Å; V54-I69 HydrophobicContact CG1-CG2 4.32Å; V54-I69 HydrophobicContact CG2-CG2 3.76Å; L57-I69 HydrophobicContact CB-CD1 3.25Å; L57-I69 VanDerWaalsContact O-CD1 3.24Å; L57-I69 WeakPolarHBondContact O-CD1 3.19Å; D58-I69 HydrophobicContact CB-CB 4.2Å; D58-I69 PolarHBondContact OD2-N 3.08Å; V67-I69 HydrophobicContact CG2-CD1 4.48Å; V67-I69 HydrophobicContact CG2-CG1 4.42Å
70E83.1Confident66.5Low74 Ų74105.6 Ų105.635%0.34652%0.516SS..EExtended strand (participates in β ladder)trans-130.4150.2-178.8-160.3-169.9143.900109.3F7 A72 R73F7-E70 WeakPolarHBondContact CA-O 2.96Å; F7-E70 WeakPolarHBondContact CB-O 2.98Å; F7-E70 HydrophobicContact CD1-CB 4.09Å; F7-E70 PolarHBondContact N-O 3.21Å; F7-E70 PolarHBondContact O-N 3.2Å; E70-A72 PolarHBondContact O-N 2.68Å; E70-R73 VanDerWaalsContact CD-NH2 3.3Å; E70-R73 IonicContact OE1-CZ 3.05Å; E70-R73 IonicContact OE1-NE 3.34Å; E70-R73 PolarHBondContact OE1-NE 3.03Å; E70-R73 IonicContact OE1-NH2 3.48Å; E70-R73 PolarHBondContact OE1-NH2 2.91Å; E70-R73 IonicContact OE2-NH2 2.69Å; E70-R73 PolarHBondContact OE2-NH2 2.69Å
71H81.3Confident65Low74 Ų74104.3 Ų104.334%0.34353%0.53SS..EExtended strand (participates in β ladder)trans-60.4126.1167.1-72.7-80.8000110E51 R73E51-H71 VanDerWaalsContact CG-CE1 3.43Å; E51-H71 WeakPolarHBondContact CG-CE1 3.28Å; H71-R73 PolarHBondContact O-N 3.04Å
72A72.5Confident63.5Low14 Ų14110.2 Ų110.212%0.11655%0.546CS..  trans-67.5113.1179.200000108.8R5 F7 F41 E70 V74R5-A72 HydrophobicContact CB-CB 3.89Å; R5-A72 HydrophobicContact CG-CB 3.62Å; R5-A72 VanDerWaalsContact O-CB 3.24Å; R5-A72 WeakPolarHBondContact O-CB 3.4Å; R5-A72 PolarHBondContact O-N 2.83Å; F7-A72 HydrophobicContact CB-CB 4.17Å; F41-A72 HydrophobicContact CD1-CB 4.1Å; F41-A72 HydrophobicContact CE1-CB 4.43Å; E70-A72 PolarHBondContact O-N 2.68Å; A72-V74 PolarHBondContact O-N 3.15Å
73R63.4Low62.1Low176 Ų176113.5 Ų113.566%0.66458%0.584SS**  trans-61.5111.3174-41.5-176.4-166.9142.47.5107.1E70 H71 R75E70-R73 VanDerWaalsContact CD-NH2 3.3Å; E70-R73 IonicContact OE1-CZ 3.05Å; E70-R73 IonicContact OE1-NE 3.34Å; E70-R73 PolarHBondContact OE1-NE 3.03Å; E70-R73 IonicContact OE1-NH2 3.48Å; E70-R73 PolarHBondContact OE1-NH2 2.91Å; E70-R73 IonicContact OE2-NH2 2.69Å; E70-R73 PolarHBondContact OE2-NH2 2.69Å; H71-R73 PolarHBondContact O-N 3.04Å; R73-R75 VanDerWaalsContact C-N 3.3Å; R73-R75 PolarHBondContact O-N 3.3Å
74V52.4Low61.3Low79 Ų79115 Ų11548%0.47961%0.609SS.*  trans-58.794178.4175.90000108.8S2 A72 L76S2-V74 WeakPolarHBondContact O-CG2 3.49Å; A72-V74 PolarHBondContact O-N 3.15Å; V74-L76 HydrophobicContact CG1-CG 4.13Å; V74-L76 PolarHBondContact O-N 2.65Å
75R46.9Very low59.8Low220 Ų220111 Ų11183%0.8361%0.606SS**  trans-82.398.3158.1-69.7-171.2177.2159.50.8105.2R73 R77R73-R75 VanDerWaalsContact C-N 3.3Å; R73-R75 PolarHBondContact O-N 3.3Å; R75-R77 VanDerWaalsContact C-N 3.27Å; R75-R77 PolarHBondContact O-N 3.47Å
76L44.3Very low58.2Low167 Ų167111.2 Ų111.287%0.87463%0.631SS**  trans-48.892.2168.5-80.6138.3000109.3V74V74-L76 HydrophobicContact CG1-CG 4.13Å; V74-L76 PolarHBondContact O-N 2.65Å
77R46.7Very low56.1Low246 Ų246107.7 Ų107.793%0.92864%0.642SS**  trans-102.380.4172.7-166.3175.9-174.5-172.5-0.1108.4R75R75-R77 VanDerWaalsContact C-N 3.27Å; R75-R77 PolarHBondContact O-N 3.47Å
78G43.5Very low54Low82 Ų82111.9 Ų111.985%0.84569%0.685SS**  trans81.589.2146.100000117.9
79G40.6Very low51.7Low75 Ų75113 Ų11377%0.77371%0.708SS**  trans-142112.1159.100000109.6G81G79-G81 PolarHBondContact O-N 3.05Å
80R52.3Low49.7Very low263 Ų263123.8 Ų123.899%0.99275%0.748SS**  trans-52.9120.3-175.6-166.9175.3-174.9178.40.2112.8
81G46.3Very low47.4Very low68 Ų68130.5 Ų130.570%0.70178%0.776SS**  trans145.2118.9163.500000114.3G79G79-G81 PolarHBondContact O-N 3.05Å
82R44.3Very low45.4Very low246 Ų246131.5 Ų131.593%0.92879%0.792SS**  trans83.279.2172.1-143.6171.4-169.5-176.21.8115G84R82-G84 PolarHBondContact O-N 3.36Å
83G38.8Very low43.9Very low83 Ų83136.9 Ų136.986%0.85682%0.819SS**  trans-53.6108.2159.100000110.3
84G45.8Very low42.5Very low86 Ų86140 Ų14089%0.88783%0.83SS**  trans-83.8104.4154.100000107.5R82R82-G84 PolarHBondContact O-N 3.36Å
85G40.7Very low41.8Very low81 Ų81146.7 Ų146.784%0.83585%0.849SS**SBendtrans13988.1169.500000114
86G41.3Very low41.5Very low87 Ų87139.8 Ų139.890%0.89785%0.846SS**  trans125.593.4155.900000114.6
87G37.6Very low41.3Very low79 Ų79144.1 Ų144.181%0.81485%0.85SS**  trans17179.716800000114
88G40.8Very low40.9Very low88 Ų88135.6 Ų135.691%0.90784%0.839SS**  trans53.1109145.900000119.1
89G36.1Very low41Very low79 Ų79137.9 Ų137.981%0.81484%0.842SS**  trans-167.192.2163.900000110.9F91G89-F91 PolarHBondContact O-N 3.33Å
90R45.6Very low41.2Very low232 Ų232141.9 Ų141.988%0.87584%0.841SS**  trans-56.2130.4168-54.3173.6-158.2-149.84.9107.3
91F34.4Very low40.8Very low215 Ų215137.1 Ų137.194%0.94384%0.835SS**  -175.9140.1128.3-84.4-63000108.5G89G89-F91 PolarHBondContact O-N 3.33Å
92S39.8Very low40.9Very low95 Ų95139.8 Ų139.866%0.66484%0.843SS**  trans-99.9161.2-157.3-161.70000111.3
93D41.1Very low41.2Very low128 Ų128138.7 Ų138.768%0.68484%0.839SS**  trans68.5106153.1-52-59.6000120
94R33.9Very low41.9Very low240 Ų240140.2 Ų140.291%0.90684%0.837SS**  -164105.2120.1-149.1164.2-75.7-162.9-4.5112.3
95Y37.1Very low42.2Very low221 Ų221147.3 Ų147.387%0.86784%0.837SS**  trans-5.8125.9158.2-71.4-98.7000118.2
96G40Very low42.3Very low74 Ų74150.6 Ų150.676%0.76384%0.835SS**  trans126124.7136.600000116.9
97R40.7Very low42.9Very low258 Ų258151.3 Ų151.397%0.97482%0.824SS**  trans92.1106.8142.2-144.1174.7-157-115.43.2117
98G38.8Very low43.4Very low68 Ų68152.8 Ų152.870%0.70182%0.819SS**  trans109.937.6136.200000118.2Q100G98-Q100 PolarHBondContact O-N 3.31Å
99S44.2Very low44.1Very low130 Ų130151.9 Ų151.991%0.90980%0.797SS**  trans-78.861160.3-176.10000110.7
100Q45.2Very low44.5Very low159 Ų159155 Ų15574%0.74379%0.792SS**  trans-122.579.3167-79.7-136.2-44.700108.6G98G98-Q100 PolarHBondContact O-N 3.31Å
101N44.1Very low44.8Very low163 Ų163154.9 Ų154.987%0.87279%0.792SS**  trans-158.667.1148.1-139.9-4.5000113.8
102S47.9Very low45.9Very low124 Ų124146.1 Ų146.187%0.86776%0.756SS**  trans-147.337160.8-165.60000111.6
103R50.7Low47Very low222 Ų222149.9 Ų149.984%0.83876%0.763SS**  trans-122.748.8-179-89.6-170176.9172.5-0.5112.8
104S54.7Low48.7Very low116 Ų116145.2 Ų145.281%0.81174%0.738SS**SBendtrans-163.9101.4157.1-1470000106.4
105R52Low51Low234 Ų234139 Ų13988%0.88372%0.715SS**SBend-166.82987.3-150.5173.2-173.7-146.21.1114.1
106N43Very low53.2Low150 Ų150128.5 Ų128.580%0.80267%0.674SS**  trans171.1130.9156.9-100.5-7.9000107.3
107P52.9Low55.4Low102 Ų102127 Ų12766%0.66265%0.648SS**PPolyproline II helixtrans-53.9139.6160.124-29.4000107.7
108P48.9Very low57.5Low111 Ų111114.8 Ų114.872%0.72160%0.602SS**PPolyproline II helixtrans-50.5131.4167.922.5-30.9000106.4M110P108-M110 PolarHBondContact O-N 3.33Å
109P54.7Low59.6Low68 Ų68114.4 Ų114.444%0.44258%0.582SS.*PPolyproline II helixtrans-47.8122.7-17919.4-30.8000106.4R111 F142P109-R111 PolarHBondContact O-N 3Å; P109-F142 HydrophobicContact CG-CD2 4.42Å
110M44.5Very low61.3Low145 Ų145112 Ų11271%0.71456%0.559SS**  trans-53.2111.4178.2-69.3-157.471.400104.8P108 T112 E156P108-M110 PolarHBondContact O-N 3.33Å; M110-T112 HydrophobicContact CB-CG2 4.17Å; M110-T112 PolarHBondContact O-N 3.15Å; M110-E156 VanDerWaalsContact O-OE1 3.09Å
111R52.7Low63Low229 Ų229104.4 Ų104.486%0.86452%0.523SS*.  trans-68.677178.2-72.917664.1175.8-0.2105.7P109 E156P109-R111 PolarHBondContact O-N 3Å; R111-E156 VanDerWaalsContact CA-OE1 3.27Å; R111-E156 WeakPolarHBondContact CA-OE1 3.49Å
112T56.8Low64.5Low32 Ų3297 Ų9720%0.19648%0.484CS..  trans-73.9143175.249.40000106.4M110 N114 E156 F157M110-T112 HydrophobicContact CB-CG2 4.17Å; M110-T112 PolarHBondContact O-N 3.15Å; T112-N114 PolarHBondContact O-N 2.74Å; T112-E156 PolarHBondContact N-OE1 3.34Å; T112-E156 VanDerWaalsContact O-OE1 3.13Å; T112-E156 PolarHBondContact OG1-OE1 3.38Å; T112-F157 WeakPolarHBondContact CB-O 3.46Å; T112-F157 PolarHBondContact OG1-O 2.92Å
113E62.8Low65.7Low174 Ų17494.6 Ų94.681%0.81347%0.467SS*.SBendtrans-730.8-175-57.2-175170.300111.9R115E113-R115 VanDerWaalsContact C-N 3.35Å; E113-R115 PolarHBondContact O-N 3.05Å; E113-R115 VanDerWaalsContact O-N 3.15Å
114N76.6Confident66.8Low30 Ų3094.2 Ų94.216%0.1647%0.466CS..  trans-92.164.9-172.2-5897.4000111.2T112 E156 F157 H160 L163T112-N114 PolarHBondContact O-N 2.74Å; N114-E156 WeakPolarHBondContact O-CA 3.49Å; N114-F157 HydrophobicContact CB-CB 4.47Å; N114-F157 PolarHBondContact O-N 3.41Å; N114-H160 VanDerWaalsContact ND2-CA 3.28Å; N114-H160 WeakPolarHBondContact ND2-CA 3.46Å; N114-H160 WeakPolarHBondContact ND2-CB 3.37Å; N114-H160 PolarHBondContact ND2-ND1 3.22Å; N114-L163 VanDerWaalsContact C-CD1 3.45Å; N114-L163 HydrophobicContact CB-CD1 3.84Å; N114-L163 WeakPolarHBondContact O-CD1 3.17Å
115R82.4Confident67.9Low110 Ų11088.7 Ų88.742%0.41543%0.427SS..EExtended strand (participates in β ladder)trans-92.4132.3176.9-179.3-178.7170.5179.12.8111.2E113 V154 A185E113-R115 VanDerWaalsContact C-N 3.35Å; E113-R115 PolarHBondContact O-N 3.05Å; E113-R115 VanDerWaalsContact O-N 3.15Å; R115-V154 HydrophobicContact CG-CG1 3.68Å; R115-A185 HydrophobicContact CB-CB 4Å; R115-A185 HydrophobicContact CG-CB 3.87Å; R115-A185 VanDerWaalsContact O-CB 3.31Å; R115-A185 WeakPolarHBondContact O-CB 3.3Å; R115-A185 PolarHBondContact O-N 3.35Å
116L84.6Confident69.4Low0 Ų079.4 Ų79.40%040%0.398CS..EExtended strand (participates in β ladder)trans-118.9134.8175.5-166151.3000109V118 M134 V154 V155 F157 L163 L182L116-V118 HydrophobicContact CD2-CG2 3.74Å; L116-M134 HydrophobicContact CD1-CE 4.2Å; L116-M134 HydrophobicContact CD2-CE 3.88Å; L116-V154 CarbonylContact O-C 3.45Å; L116-V154 WeakPolarHBondContact O-CA 3.23Å; L116-V155 PolarHBondContact N-O 2.73Å; L116-V155 PolarHBondContact O-N 2.76Å; L116-F157 HydrophobicContact CB-CE2 4.4Å; L116-F157 HydrophobicContact CD1-CE2 4.28Å; L116-L163 HydrophobicContact CB-CD1 4.2Å; L116-L163 HydrophobicContact CB-CG 4.39Å; L116-L163 HydrophobicContact CD1-CD2 4.37Å; L116-L163 HydrophobicContact CD1-CG 3.98Å; L116-L182 HydrophobicContact CD1-CB 4.23Å; L116-L182 HydrophobicContact CD2-CB 3.8Å; L116-L182 HydrophobicContact CD2-CD2 3.34Å; L116-L182 HydrophobicContact CD2-CG 4.07Å; L116-L182 HydrophobicContact CG-CB 4.4Å
117I86Confident71.5Confident43 Ų4377.9 Ų77.922%0.22138%0.381CS..EExtended strand (participates in β ladder)trans-101.3128.5174.8-62.5163.8000107.4E119 G153 I183 A185I117-E119 HydrophobicContact CG2-CG 4.32Å; I117-G153 CarbonylContact C-O 3.58Å; I117-G153 WeakPolarHBondContact CA-O 3.24Å; I117-I183 HydrophobicContact CB-CB 4.46Å; I117-I183 PolarHBondContact N-O 2.77Å; I117-I183 PolarHBondContact O-N 2.91Å; I117-A185 HydrophobicContact CD1-CB 3.85Å; I117-A185 HydrophobicContact CG1-CB 4.08Å
118V83.9Confident73Confident0 Ų078 Ų780%037%0.373CS..EExtended strand (participates in β ladder)trans-104.3111.5177.1-169.30000107.3L116 L121 L130 E152 G153 V155 I180 K181 L182L116-V118 HydrophobicContact CD2-CG2 3.74Å; V118-L121 HydrophobicContact CB-CD1 3.62Å; V118-L121 HydrophobicContact CB-CG 4.18Å; V118-L121 HydrophobicContact CG1-CD1 3.63Å; V118-L121 HydrophobicContact CG1-CD2 4.06Å; V118-L121 HydrophobicContact CG1-CG 3.6Å; V118-L130 HydrophobicContact CB-CD1 4.49Å; V118-L130 HydrophobicContact CG1-CD1 4.23Å; V118-L130 HydrophobicContact CG2-CD1 4.09Å; V118-L130 HydrophobicContact CG2-CD2 4.24Å; V118-E152 CarbonylContact O-C 3.6Å; V118-E152 VanDerWaalsContact O-CA 3.26Å; V118-E152 WeakPolarHBondContact O-CA 3.46Å; V118-G153 PolarHBondContact N-O 2.89Å; V118-G153 PolarHBondContact O-N 2.98Å; V118-V155 HydrophobicContact CG2-CG2 3.84Å; V118-I180 HydrophobicContact CG1-CB 3.79Å; V118-I180 HydrophobicContact CG1-CD1 4.03Å; V118-I180 HydrophobicContact CG1-CG1 4.45Å; V118-I180 HydrophobicContact CG1-CG2 4.15Å; V118-K181 CarbonylContact C-O 3.54Å; V118-K181 WeakPolarHBondContact CA-O 3.29Å; V118-L182 HydrophobicContact CB-CD2 4.17Å; V118-L182 HydrophobicContact CG1-CD2 3.87Å; V118-L182 HydrophobicContact CG2-CD2 3.6Å
119E83.6Confident74.8Confident61 Ų6176 Ų7629%0.28536%0.356SS..EExtended strand (participates in β ladder)trans-93.7158.4173.1-63.2-174157.700110.6I117 L121 K181 I183I117-E119 HydrophobicContact CG2-CG 4.32Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.3Å; E119-K181 HydrophobicContact CB-CB 4.19Å; E119-K181 PolarHBondContact N-O 2.97Å; E119-K181 PolarHBondContact O-N 3.39Å; E119-K181 IonicContact OE2-NZ 3.56Å; E119-I183 HydrophobicContact CG-CD1 4Å; E119-I183 WeakPolarHBondContact OE1-CD1 3.2Å; E119-I183 VanDerWaalsContact OE2-CD1 3.22Å; E119-I183 WeakPolarHBondContact OE2-CD1 3.33Å
120N79.8Confident76.2Confident79 Ų7972.8 Ų72.842%0.42234%0.335SS..SBendtrans60.431.4178.3-161.544.6000114.4S122 N151 K179N120-S122 PolarHBondContact O-N 3.39Å; N120-N151 PolarHBondContact N-O 3.04Å; N120-K179 PolarHBondContact ND2-O 2.9Å
121L80.1Confident78.1Confident0 Ų069.7 Ų69.70%032%0.318CS..  trans-62.8135.4169.3-85.4155.9000110.1V118 E119 S123 V125 L130 N151 I180V118-L121 HydrophobicContact CB-CD1 3.62Å; V118-L121 HydrophobicContact CB-CG 4.18Å; V118-L121 HydrophobicContact CG1-CD1 3.63Å; V118-L121 HydrophobicContact CG1-CD2 4.06Å; V118-L121 HydrophobicContact CG1-CG 3.6Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.3Å; L121-S123 PolarHBondContact O-N 3.47Å; L121-V125 HydrophobicContact CD2-CB 4.03Å; L121-V125 HydrophobicContact CD2-CG1 3.59Å; L121-L130 HydrophobicContact CD1-CD1 4.43Å; L121-L130 HydrophobicContact CD1-CD2 4.08Å; L121-L130 HydrophobicContact CD2-CD1 3.86Å; L121-N151 PolarHBondContact N-O 2.85Å; L121-N151 VanDerWaalsContact O-CA 3.25Å; L121-N151 WeakPolarHBondContact O-CA 3.37Å; L121-N151 WeakPolarHBondContact O-CB 3.14Å; L121-N151 PolarHBondContact O-OD1 3.17Å; L121-I180 HydrophobicContact CD2-CG2 3.98Å; L121-I180 HydrophobicContact CG-CG2 4.3Å
122S75.7Confident79.7Confident8 Ų862.6 Ų62.66%0.05630%0.297CS..  trans-62.2137168.1174.50000109.3N120 R124 V125 H146N120-S122 PolarHBondContact O-N 3.39Å; S122-R124 PolarHBondContact O-N 3.47Å; S122-V125 WeakPolarHBondContact O-CB 3.48Å; S122-V125 PolarHBondContact O-N 2.88Å; S122-H146 PolarHBondContact O-CE1 2.73Å
123S73.4Confident81Confident72 Ų7263 Ų6350%0.50330%0.296SS..THydrogen-bonded Turntrans-63.4-7179.257.80000113.9L121L121-S123 PolarHBondContact O-N 3.47Å
124R73.6Confident81.8Confident214 Ų21454.7 Ų54.781%0.80826%0.257SS*.THydrogen-bonded Turntrans-93.4-10.8174.1-61.3-175.4176.7-164.8-1.2113S122 S126S122-R124 PolarHBondContact O-N 3.47Å; R124-S126 PolarHBondContact O-N 3.38Å
125V78.3Confident82.1Confident1 Ų160.9 Ų60.91%0.00628%0.279CS..  trans-85.8113.4-176.4176.40000108.5L121 S122 D129 H146 I175 N176L121-V125 HydrophobicContact CD2-CB 4.03Å; L121-V125 HydrophobicContact CD2-CG1 3.59Å; S122-V125 WeakPolarHBondContact O-CB 3.48Å; S122-V125 PolarHBondContact O-N 2.88Å; V125-D129 HydrophobicContact CG1-CB 3.89Å; V125-H146 PolarHBondContact O-NE2 3.04Å; V125-I175 HydrophobicContact CG1-CG2 4.19Å; V125-I175 HydrophobicContact CG2-CB 4.35Å; V125-I175 HydrophobicContact CG2-CG2 3.46Å; V125-I175 VanDerWaalsContact CG2-CG2 3.46Å; V125-N176 HydrophobicContact CG2-CB 4.18Å; V125-N176 VanDerWaalsContact CG2-ND2 3.3Å; V125-N176 WeakPolarHBondContact CG2-ND2 3.42Å
126S84.3Confident82Confident39 Ų3962.1 Ų62.127%0.27329%0.289SS..  trans-79.8166.5176.371.40000111.2R124 Q128 D129 L130R124-S126 PolarHBondContact O-N 3.38Å; S126-Q128 PolarHBondContact O-N 3.46Å; S126-Q128 PolarHBondContact OG-N 3.37Å; S126-D129 WeakPolarHBondContact CB-OD2 3.39Å; S126-D129 PolarHBondContact N-OD2 2.72Å; S126-D129 PolarHBondContact O-N 2.91Å; S126-D129 PolarHBondContact OG-N 3.31Å; S126-D129 PolarHBondContact OG-OD2 3.05Å; S126-L130 PolarHBondContact O-N 2.79Å
127W85.5Confident81.6Confident118 Ų11862.9 Ų62.945%0.44730%0.296SS..Hα-helixtrans-60.1-24.1172.964-97.4000112.3K131 A145W127-K131 VanDerWaalsContact O-CB 3.29Å; W127-K131 WeakPolarHBondContact O-CB 3.48Å; W127-K131 PolarHBondContact O-N 3.04Å; W127-A145 HydrophobicContact CB-CB 3.9Å
128Q85Confident81.3Confident105 Ų10561.6 Ų61.649%0.49129%0.293SS..Hα-helixtrans-69.7-50.8176.1-66.5178.50.800110.4S126 L130 K131 D132S126-Q128 PolarHBondContact O-N 3.46Å; S126-Q128 PolarHBondContact OG-N 3.37Å; Q128-L130 PolarHBondContact O-N 3.41Å; Q128-K131 CarbonylContact O-C 3.56Å; Q128-K131 WeakPolarHBondContact O-CB 3.29Å; Q128-K131 PolarHBondContact O-N 3.14Å; Q128-D132 PolarHBondContact O-N 3.22Å
129D86.1Confident81.1Confident69 Ų6968.2 Ų68.237%0.36932%0.324SS..Hα-helixtrans-59.5-40.2176.9-55.2-53.8000110.6V125 S126 K131 D132 F133V125-D129 HydrophobicContact CG1-CB 3.89Å; S126-D129 WeakPolarHBondContact CB-OD2 3.39Å; S126-D129 PolarHBondContact N-OD2 2.72Å; S126-D129 PolarHBondContact O-N 2.91Å; S126-D129 PolarHBondContact OG-N 3.31Å; S126-D129 PolarHBondContact OG-OD2 3.05Å; D129-K131 VanDerWaalsContact C-N 3.35Å; D129-D132 PolarHBondContact O-N 3.33Å; D129-F133 WeakPolarHBondContact O-CB 3.23Å; D129-F133 PolarHBondContact O-N 2.82Å
130L84.3Confident81.1Confident0 Ų065.8 Ų65.80%031%0.313CS..Hα-helixtrans-62.5-42.5175.5-168.758.8000111.8V118 L121 S126 Q128 M134 V155V118-L130 HydrophobicContact CB-CD1 4.49Å; V118-L130 HydrophobicContact CG1-CD1 4.23Å; V118-L130 HydrophobicContact CG2-CD1 4.09Å; V118-L130 HydrophobicContact CG2-CD2 4.24Å; L121-L130 HydrophobicContact CD1-CD1 4.43Å; L121-L130 HydrophobicContact CD1-CD2 4.08Å; L121-L130 HydrophobicContact CD2-CD1 3.86Å; S126-L130 PolarHBondContact O-N 2.79Å; Q128-L130 PolarHBondContact O-N 3.41Å; L130-M134 HydrophobicContact CD1-CG 4.43Å; L130-M134 VanDerWaalsContact O-CB 3.26Å; L130-M134 WeakPolarHBondContact O-CB 3.34Å; L130-M134 WeakPolarHBondContact O-CG 3.46Å; L130-M134 PolarHBondContact O-N 2.75Å; L130-V155 HydrophobicContact CD1-CG2 4.29Å; L130-V155 HydrophobicContact CD2-CG2 3.43Å; L130-V155 VanDerWaalsContact CD2-CG2 3.43Å; L130-V155 HydrophobicContact CG-CG2 3.6Å
131K85.3Confident81.2Confident79 Ų7964.2 Ų64.234%0.34331%0.306SS..Hα-helixtrans-67.8-45.5178-173.8175-176.3176.50112W127 Q128 D129 F133 M134 R135 V140 A143W127-K131 VanDerWaalsContact O-CB 3.29Å; W127-K131 WeakPolarHBondContact O-CB 3.48Å; W127-K131 PolarHBondContact O-N 3.04Å; Q128-K131 CarbonylContact O-C 3.56Å; Q128-K131 WeakPolarHBondContact O-CB 3.29Å; Q128-K131 PolarHBondContact O-N 3.14Å; D129-K131 VanDerWaalsContact C-N 3.35Å; K131-F133 VanDerWaalsContact C-N 3.3Å; K131-F133 PolarHBondContact O-N 2.81Å; K131-M134 PolarHBondContact O-N 3.27Å; K131-R135 WeakPolarHBondContact O-CB 3.43Å; K131-R135 PolarHBondContact O-N 2.75Å; K131-V140 HydrophobicContact CG-CB 4.1Å; K131-V140 HydrophobicContact CG-CG1 4.12Å; K131-A143 HydrophobicContact CB-CB 4.06Å
132D86.2Confident81.2Confident80 Ų8068.2 Ų68.243%0.42832%0.324SS..Hα-helixtrans-64.1-38.4178.6-78.5-24.8000111.5Q128 D129 R135Q128-D132 PolarHBondContact O-N 3.22Å; D129-D132 PolarHBondContact O-N 3.33Å; D132-R135 WeakPolarHBondContact O-CB 3.44Å; D132-R135 PolarHBondContact O-N 2.73Å; D132-R135 IonicContact OD1-CZ 3.54Å; D132-R135 IonicContact OD1-NH1 3.96Å; D132-R135 PolarHBondContact OD1-NH1 2.76Å; D132-R135 IonicContact OD1-NH2 3.55Å; D132-R135 PolarHBondContact OD1-NH2 2.77Å
133F83.3Confident81.6Confident40 Ų4068.5 Ų68.518%0.17533%0.327CS..Hα-helixtrans-67.7-44.4175-178.8-96.7000112.5D129 K131 R135 Q136 L170 K173 I175 I180D129-F133 WeakPolarHBondContact O-CB 3.23Å; D129-F133 PolarHBondContact O-N 2.82Å; K131-F133 VanDerWaalsContact C-N 3.3Å; K131-F133 PolarHBondContact O-N 2.81Å; F133-R135 PolarHBondContact O-N 3.24Å; F133-Q136 WeakPolarHBondContact O-CB 3.27Å; F133-Q136 PolarHBondContact O-N 3.32Å; F133-Q136 VanDerWaalsContact O-N 3.08Å; F133-L170 HydrophobicContact CD1-CD1 4.17Å; F133-L170 HydrophobicContact CE1-CB 3.75Å; F133-L170 HydrophobicContact CE1-CD1 3.96Å; F133-L170 HydrophobicContact CE1-CD2 3.96Å; F133-L170 HydrophobicContact CE1-CG 4.11Å; F133-L170 HydrophobicContact CZ-CB 4.21Å; F133-L170 HydrophobicContact CZ-CD2 3.9Å; F133-L170 HydrophobicContact CZ-CG 4.5Å; F133-K173 HydrophobicContact CE2-CB 4.29Å; F133-K173 HydrophobicContact CE2-CD 3.84Å; F133-K173 HydrophobicContact CZ-CB 3.61Å; F133-K173 HydrophobicContact CZ-CD 3.45Å; F133-K173 VanDerWaalsContact CZ-CD 3.45Å; F133-K173 HydrophobicContact CZ-CG 4.16Å; F133-I175 HydrophobicContact CB-CD1 4.13Å; F133-I175 HydrophobicContact CD1-CD1 3.6Å; F133-I175 HydrophobicContact CD2-CD1 3.81Å; F133-I175 HydrophobicContact CD2-CG1 4.09Å; F133-I175 HydrophobicContact CE1-CD1 3.78Å; F133-I175 HydrophobicContact CE1-CG1 4.37Å; F133-I175 HydrophobicContact CE2-CD1 4Å; F133-I175 HydrophobicContact CE2-CG1 3.93Å; F133-I175 HydrophobicContact CG-CD1 3.57Å; F133-I175 HydrophobicContact CG-CG1 4.36Å; F133-I175 HydrophobicContact CZ-CD1 3.96Å; F133-I175 HydrophobicContact CZ-CG1 4.05Å; F133-I180 HydrophobicContact CD1-CD1 4.17Å; F133-I180 HydrophobicContact CE1-CD1 3.54Å; F133-I180 HydrophobicContact CZ-CD1 4.25Å
134M80.1Confident82.1Confident0 Ų067.3 Ų67.30%032%0.315CS..Hα-helixtrans-71.7-20.9178.8-67.9-68.1-100.600112.5L116 L130 K131 Q136 A137 G138 V140 V155 F157 A166 L170 L182L116-M134 HydrophobicContact CD1-CE 4.2Å; L116-M134 HydrophobicContact CD2-CE 3.88Å; L130-M134 HydrophobicContact CD1-CG 4.43Å; L130-M134 VanDerWaalsContact O-CB 3.26Å; L130-M134 WeakPolarHBondContact O-CB 3.34Å; L130-M134 WeakPolarHBondContact O-CG 3.46Å; L130-M134 PolarHBondContact O-N 2.75Å; K131-M134 PolarHBondContact O-N 3.27Å; M134-Q136 PolarHBondContact O-N 2.8Å; M134-A137 PolarHBondContact O-N 3.28Å; M134-G138 PolarHBondContact O-N 2.82Å; M134-G138 VanDerWaalsContact O-N 3.09Å; M134-V140 HydrophobicContact CB-CG2 3.56Å; M134-V155 HydrophobicContact CB-CG1 4.24Å; M134-V155 HydrophobicContact CE-CB 4.03Å; M134-V155 HydrophobicContact CE-CG1 3.97Å; M134-V155 HydrophobicContact CE-CG2 4.16Å; M134-V155 HydrophobicContact CG-CG1 4.14Å; M134-V155 HydrophobicContact CG-CG2 4.26Å; M134-F157 HydrophobicContact CB-CE1 4.26Å; M134-F157 HydrophobicContact CB-CZ 3.94Å; M134-F157 HydrophobicContact CE-CE2 3.41Å; M134-F157 VanDerWaalsContact CE-CE2 3.41Å; M134-F157 HydrophobicContact CE-CZ 3.34Å; M134-F157 HydrophobicContact CG-CZ 4.33Å; M134-F157 HydrophobicContact SD-CZ 4.01Å; M134-A166 HydrophobicContact CE-CB 4.06Å; M134-A166 HydrophobicContact SD-CB 4.18Å; M134-L170 HydrophobicContact SD-CD1 3.58Å; M134-L170 VanDerWaalsContact SD-CD1 3.58Å; M134-L182 HydrophobicContact CE-CD2 3.94Å; M134-L182 HydrophobicContact SD-CD2 4.35Å
135R82.3Confident82.4Confident161 Ų16157.8 Ų57.861%0.60828%0.282SS*.THydrogen-bonded Turntrans-60.5-21.6168-165.9166.568.2-131.1-5113K131 D132 F133 A137 G138K131-R135 WeakPolarHBondContact O-CB 3.43Å; K131-R135 PolarHBondContact O-N 2.75Å; D132-R135 WeakPolarHBondContact O-CB 3.44Å; D132-R135 PolarHBondContact O-N 2.73Å; D132-R135 IonicContact OD1-CZ 3.54Å; D132-R135 IonicContact OD1-NH1 3.96Å; D132-R135 PolarHBondContact OD1-NH1 2.76Å; D132-R135 IonicContact OD1-NH2 3.55Å; D132-R135 PolarHBondContact OD1-NH2 2.77Å; F133-R135 PolarHBondContact O-N 3.24Å; R135-A137 PolarHBondContact O-N 3.18Å; R135-G138 WeakPolarHBondContact CA-O 3.32Å
136Q80.8Confident81.9Confident135 Ų13560.8 Ų60.863%0.63130%0.295SS*.THydrogen-bonded Turntrans-65.3-25.2172-167.6176.616.400112.6F133 M134F133-Q136 WeakPolarHBondContact O-CB 3.27Å; F133-Q136 PolarHBondContact O-N 3.32Å; F133-Q136 VanDerWaalsContact O-N 3.08Å; M134-Q136 PolarHBondContact O-N 2.8Å
137A76.3Confident81.1Confident17 Ų1767.5 Ų67.514%0.1432%0.315CS..THydrogen-bonded Turntrans-107.4-21-179.300000114.3M134 R135 A166 L170M134-A137 PolarHBondContact O-N 3.28Å; R135-A137 PolarHBondContact O-N 3.18Å; A137-A166 VanDerWaalsContact CB-CA 3.49Å; A137-A166 HydrophobicContact CB-CB 3.58Å; A137-L170 HydrophobicContact CB-CD1 3.41Å; A137-L170 VanDerWaalsContact CB-CD1 3.41Å; A137-L170 HydrophobicContact CB-CG 4Å
138G79.3Confident79.6Confident16 Ų1667.5 Ų67.517%0.16533%0.33CS..SBendtrans165.9-170.7171.600000114.6M134 R135 V140M134-G138 PolarHBondContact O-N 2.82Å; M134-G138 VanDerWaalsContact O-N 3.09Å; R135-G138 WeakPolarHBondContact CA-O 3.32Å; G138-V140 PolarHBondContact O-N 2.8Å
139E81.1Confident78.4Confident139 Ų13968.5 Ų68.565%0.6533%0.333SS*.  trans-80.7120.5-174.2-169178.5175.300112.2A158E139-A158 HydrophobicContact CB-CB 4.42Å; E139-A158 PolarHBondContact O-N 2.98Å
140V82.9Confident77.4Confident10 Ų1072.1 Ų72.16%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-96.1112.4-179.6178.60000110.1K131 M134 G138 F142 A143 V155 E156 F157K131-V140 HydrophobicContact CG-CB 4.1Å; K131-V140 HydrophobicContact CG-CG1 4.12Å; M134-V140 HydrophobicContact CB-CG2 3.56Å; G138-V140 PolarHBondContact O-N 2.8Å; V140-F142 WeakPolarHBondContact CG1-O 3.34Å; V140-A143 HydrophobicContact CG1-CB 3.98Å; V140-V155 HydrophobicContact CB-CG1 4.43Å; V140-V155 HydrophobicContact CG1-CG1 3.61Å; V140-V155 HydrophobicContact CG2-CG1 3.94Å; V140-E156 WeakPolarHBondContact CA-O 3.48Å; V140-E156 WeakPolarHBondContact CG1-O 3.19Å; V140-F157 HydrophobicContact CG2-CD1 4.06Å; V140-F157 HydrophobicContact CG2-CE1 3.68Å; V140-F157 HydrophobicContact CG2-CZ 4.27Å
141T80.8Confident76.8Confident45 Ų4574.7 Ų74.728%0.27637%0.365SS..EExtended strand (participates in β ladder)trans-76.2-33.9176.449.90000111.4E156 A158T141-E156 PolarHBondContact N-O 2.69Å; T141-E156 PolarHBondContact OG1-O 3.41Å; T141-A158 HydrophobicContact CG2-CB 3.81Å
142F81.3Confident76.7Confident84 Ų8472.7 Ų72.737%0.36836%0.357SS..EExtended strand (participates in β ladder)trans-147.2137.7-178.8-175.3-96.6000111.2P109 V140 D144 V155 E156P109-F142 HydrophobicContact CG-CD2 4.42Å; V140-F142 WeakPolarHBondContact CG1-O 3.34Å; F142-D144 HydrophobicContact CE1-CB 3.85Å; F142-D144 HydrophobicContact CZ-CB 4.12Å; F142-V155 CarbonylContact O-C 3.5Å; F142-V155 WeakPolarHBondContact O-CA 3.38Å; F142-E156 HydrophobicContact CB-CB 3.75Å; F142-E156 PolarHBondContact N-O 2.85Å; F142-E156 PolarHBondContact O-N 3.06Å
143A83.8Confident76.6Confident15 Ų1568.9 Ų68.912%0.12434%0.336CS..EExtended strand (participates in β ladder)trans-141.8135171.800000109K131 V140 V154K131-A143 HydrophobicContact CB-CB 4.06Å; V140-A143 HydrophobicContact CG1-CB 3.98Å; A143-V154 CarbonylContact C-O 3.58Å; A143-V154 WeakPolarHBondContact CA-O 3.39Å
144D83.7Confident76.7Confident47 Ų4767.6 Ų67.625%0.25133%0.332SS..EExtended strand (participates in β ladder)trans-136.1136.8173.8-168.29.4000108.5F142 G153 V154F142-D144 HydrophobicContact CE1-CB 3.85Å; F142-D144 HydrophobicContact CZ-CB 4.12Å; D144-G153 CarbonylContact O-C 3.46Å; D144-G153 VanDerWaalsContact O-CA 3.3Å; D144-G153 WeakPolarHBondContact O-CA 3.28Å; D144-V154 PolarHBondContact N-O 2.85Å; D144-V154 PolarHBondContact O-N 2.8Å; D144-V154 VanDerWaalsContact O-O 3.11Å
145A79.6Confident77Confident13 Ų1367.6 Ų67.611%0.10733%0.332CS..EExtended strand (participates in β ladder)trans-119.2140.3178.700000108.8W127W127-A145 HydrophobicContact CB-CB 3.9Å
146H67.1Low77.2Confident64 Ų6461.1 Ų61.130%0.29631%0.309SS..SBendtrans70.133.4175.1-51.1-44.9000116.4S122 V125 E152S122-H146 PolarHBondContact O-CE1 2.73Å; V125-H146 PolarHBondContact O-NE2 3.04Å; H146-E152 WeakPolarHBondContact CA-O 3.14Å; H146-E152 PolarHBondContact N-O 2.89Å
147R67.4Low77.4Confident180 Ų18054.7 Ų54.768%0.67928%0.279SS*.  trans-135.1133165.8-66.2-160.1-174.5-124.87.5111.6
148P55.7Low77.8Confident118 Ų11856 Ų5677%0.76629%0.289SS*.SBendcis-94.1-1-0.335.9-34.1000115.5
149K58.1Low77.9Confident127 Ų12757.3 Ų57.355%0.55230%0.296SS*.SBendtrans-120.3148.3177-69.6163176.1177.90110.9E152K149-E152 HydrophobicContact CB-CB 4.37Å; K149-E152 HydrophobicContact CB-CG 4.12Å; K149-E152 VanDerWaalsContact CD-CD 3.42Å; K149-E152 WeakPolarHBondContact CD-OE1 3.34Å; K149-E152 WeakPolarHBondContact CD-OE2 3.45Å; K149-E152 IonicContact NZ-OE1 3.21Å; K149-E152 PolarHBondContact NZ-OE1 3.46Å; K149-E152 PolarHBondContact O-N 2.95Å
150L65.4Low77.9Confident144 Ų14455.2 Ų55.275%0.75429%0.286SS*.THydrogen-bonded Turntrans-61139.8171-77.581.1000108.5E152L150-E152 VanDerWaalsContact C-N 3.27Å; L150-E152 PolarHBondContact O-N 2.9Å
151N72.4Confident78Confident54 Ų5457.5 Ų57.529%0.28930%0.302SS..THydrogen-bonded Turntrans69.913.2-175.6-40.5-52.3000115.7N120 L121 R178N120-N151 PolarHBondContact N-O 3.04Å; L121-N151 PolarHBondContact N-O 2.85Å; L121-N151 VanDerWaalsContact O-CA 3.25Å; L121-N151 WeakPolarHBondContact O-CA 3.37Å; L121-N151 WeakPolarHBondContact O-CB 3.14Å; L121-N151 PolarHBondContact O-OD1 3.17Å; N151-R178 PolarHBondContact OD1-NH1 2.83Å
152E82.1Confident78.2Confident37 Ų3757 Ų5717%0.17330%0.298CS..  trans-113.5152.6168.5-68.6179.9-169.900111.1V118 H146 K149 L150V118-E152 CarbonylContact O-C 3.6Å; V118-E152 VanDerWaalsContact O-CA 3.26Å; V118-E152 WeakPolarHBondContact O-CA 3.46Å; H146-E152 WeakPolarHBondContact CA-O 3.14Å; H146-E152 PolarHBondContact N-O 2.89Å; K149-E152 HydrophobicContact CB-CB 4.37Å; K149-E152 HydrophobicContact CB-CG 4.12Å; K149-E152 VanDerWaalsContact CD-CD 3.42Å; K149-E152 WeakPolarHBondContact CD-OE1 3.34Å; K149-E152 WeakPolarHBondContact CD-OE2 3.45Å; K149-E152 IonicContact NZ-OE1 3.21Å; K149-E152 PolarHBondContact NZ-OE1 3.46Å; K149-E152 PolarHBondContact O-N 2.95Å; L150-E152 VanDerWaalsContact C-N 3.27Å; L150-E152 PolarHBondContact O-N 2.9Å
153G84.9Confident78.3Confident0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-146.8162.4177.200000110.6I117 V118 D144I117-G153 CarbonylContact C-O 3.58Å; I117-G153 WeakPolarHBondContact CA-O 3.24Å; V118-G153 PolarHBondContact N-O 2.89Å; V118-G153 PolarHBondContact O-N 2.98Å; D144-G153 CarbonylContact O-C 3.46Å; D144-G153 VanDerWaalsContact O-CA 3.3Å; D144-G153 WeakPolarHBondContact O-CA 3.28Å
154V86.1Confident78.3Confident13 Ų1358.4 Ų58.48%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-128.2131-179.3179.40000107.9R115 L116 A143 D144R115-V154 HydrophobicContact CG-CG1 3.68Å; L116-V154 CarbonylContact O-C 3.45Å; L116-V154 WeakPolarHBondContact O-CA 3.23Å; A143-V154 CarbonylContact C-O 3.58Å; A143-V154 WeakPolarHBondContact CA-O 3.39Å; D144-V154 PolarHBondContact N-O 2.85Å; D144-V154 PolarHBondContact O-N 2.8Å; D144-V154 VanDerWaalsContact O-O 3.11Å
155V86.6Confident78.3Confident0 Ų059.1 Ų59.10%031%0.305CS..EExtended strand (participates in β ladder)trans-129134.7177-174.40000108.1L116 V118 L130 M134 V140 F142 F157L116-V155 PolarHBondContact N-O 2.73Å; L116-V155 PolarHBondContact O-N 2.76Å; V118-V155 HydrophobicContact CG2-CG2 3.84Å; L130-V155 HydrophobicContact CD1-CG2 4.29Å; L130-V155 HydrophobicContact CD2-CG2 3.43Å; L130-V155 VanDerWaalsContact CD2-CG2 3.43Å; L130-V155 HydrophobicContact CG-CG2 3.6Å; M134-V155 HydrophobicContact CB-CG1 4.24Å; M134-V155 HydrophobicContact CE-CB 4.03Å; M134-V155 HydrophobicContact CE-CG1 3.97Å; M134-V155 HydrophobicContact CE-CG2 4.16Å; M134-V155 HydrophobicContact CG-CG1 4.14Å; M134-V155 HydrophobicContact CG-CG2 4.26Å; V140-V155 HydrophobicContact CB-CG1 4.43Å; V140-V155 HydrophobicContact CG1-CG1 3.61Å; V140-V155 HydrophobicContact CG2-CG1 3.94Å; F142-V155 CarbonylContact O-C 3.5Å; F142-V155 WeakPolarHBondContact O-CA 3.38Å; V155-F157 HydrophobicContact CG1-CD2 4.35Å; V155-F157 HydrophobicContact CG1-CE2 3.89Å; V155-F157 HydrophobicContact CG1-CZ 4.11Å
156E86.3Confident78.5Confident26 Ų2658.5 Ų58.512%0.12130%0.3CS..EExtended strand (participates in β ladder)trans-117.7131.3176.2-153.7174.6122.400108.6M110 R111 T112 N114 V140 T141 F142M110-E156 VanDerWaalsContact O-OE1 3.09Å; R111-E156 VanDerWaalsContact CA-OE1 3.27Å; R111-E156 WeakPolarHBondContact CA-OE1 3.49Å; T112-E156 PolarHBondContact N-OE1 3.34Å; T112-E156 VanDerWaalsContact O-OE1 3.13Å; T112-E156 PolarHBondContact OG1-OE1 3.38Å; N114-E156 WeakPolarHBondContact O-CA 3.49Å; V140-E156 WeakPolarHBondContact CA-O 3.48Å; V140-E156 WeakPolarHBondContact CG1-O 3.19Å; T141-E156 PolarHBondContact N-O 2.69Å; T141-E156 PolarHBondContact OG1-O 3.41Å; F142-E156 HydrophobicContact CB-CB 3.75Å; F142-E156 PolarHBondContact N-O 2.85Å; F142-E156 PolarHBondContact O-N 3.06Å
157F84.9Confident79.3Confident0 Ų058.1 Ų58.10%030%0.3CS..EExtended strand (participates in β ladder)trans-103.9151.2-179.7-73.9-84.3000111.3T112 N114 L116 M134 V140 V155 S159 D162 L163 A166T112-F157 WeakPolarHBondContact CB-O 3.46Å; T112-F157 PolarHBondContact OG1-O 2.92Å; N114-F157 HydrophobicContact CB-CB 4.47Å; N114-F157 PolarHBondContact O-N 3.41Å; L116-F157 HydrophobicContact CB-CE2 4.4Å; L116-F157 HydrophobicContact CD1-CE2 4.28Å; M134-F157 HydrophobicContact CB-CE1 4.26Å; M134-F157 HydrophobicContact CB-CZ 3.94Å; M134-F157 HydrophobicContact CE-CE2 3.41Å; M134-F157 VanDerWaalsContact CE-CE2 3.41Å; M134-F157 HydrophobicContact CE-CZ 3.34Å; M134-F157 HydrophobicContact CG-CZ 4.33Å; M134-F157 HydrophobicContact SD-CZ 4.01Å; V140-F157 HydrophobicContact CG2-CD1 4.06Å; V140-F157 HydrophobicContact CG2-CE1 3.68Å; V140-F157 HydrophobicContact CG2-CZ 4.27Å; V155-F157 HydrophobicContact CG1-CD2 4.35Å; V155-F157 HydrophobicContact CG1-CE2 3.89Å; V155-F157 HydrophobicContact CG1-CZ 4.11Å; F157-S159 VanDerWaalsContact C-N 3.27Å; F157-S159 WeakPolarHBondContact CB-O 3.21Å; F157-S159 PolarHBondContact O-N 3.07Å; F157-D162 HydrophobicContact CB-CB 4.46Å; F157-D162 HydrophobicContact CD1-CB 3.92Å; F157-D162 HydrophobicContact CG-CB 4.4Å; F157-L163 HydrophobicContact CB-CB 4.33Å; F157-L163 HydrophobicContact CD2-CB 3.88Å; F157-L163 HydrophobicContact CD2-CD1 4.42Å; F157-L163 HydrophobicContact CD2-CG 4.22Å; F157-L163 HydrophobicContact CG-CB 4.29Å; F157-A166 HydrophobicContact CE1-CB 4.37Å; F157-A166 HydrophobicContact CE2-CB 3.99Å; F157-A166 HydrophobicContact CZ-CB 3.56Å
158A84Confident80Confident43 Ų4356 Ų5636%0.35530%0.298SS..SBendtrans-64.1-34.6170.900000111.9E139 T141E139-A158 HydrophobicContact CB-CB 4.42Å; E139-A158 PolarHBondContact O-N 2.98Å; T141-A158 HydrophobicContact CG2-CB 3.81Å
159S81.4Confident81.1Confident44 Ų4457 Ų5731%0.30829%0.29SS..  trans-126.7147.2-175.9-170.80000113.2F157 S161 D162 L163F157-S159 VanDerWaalsContact C-N 3.27Å; F157-S159 WeakPolarHBondContact CB-O 3.21Å; F157-S159 PolarHBondContact O-N 3.07Å; S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 WeakPolarHBondContact CB-OG 3.24Å; S159-S161 PolarHBondContact OG-N 3.47Å; S159-S161 PolarHBondContact OG-OG 2.82Å; S159-D162 PolarHBondContact O-N 3.32Å; S159-L163 PolarHBondContact O-N 2.74Å
160H80.8Confident82Confident96 Ų9651 Ų5144%0.44426%0.264SS..Hα-helixtrans-66.4-31.8171.1-174.668.1000112.3N114 D162 L163 K164 E184N114-H160 VanDerWaalsContact ND2-CA 3.28Å; N114-H160 WeakPolarHBondContact ND2-CA 3.46Å; N114-H160 WeakPolarHBondContact ND2-CB 3.37Å; N114-H160 PolarHBondContact ND2-ND1 3.22Å; H160-D162 VanDerWaalsContact C-N 3.29Å; H160-D162 PolarHBondContact O-N 3.42Å; H160-L163 PolarHBondContact O-N 3.25Å; H160-K164 PolarHBondContact O-N 3.36Å; H160-E184 IonicContact CE1-OE1 3.41Å; H160-E184 IonicContact ND1-OE1 2.75Å
161S85.1Confident82.7Confident58 Ų5846.8 Ų46.841%0.40625%0.247SC..Hα-helixtrans-60.1-42.9175.754.10000111.4S159 K164 N165S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 WeakPolarHBondContact CB-OG 3.24Å; S159-S161 PolarHBondContact OG-N 3.47Å; S159-S161 PolarHBondContact OG-OG 2.82Å; S161-K164 PolarHBondContact O-N 3.3Å; S161-N165 WeakPolarHBondContact O-CB 3.13Å; S161-N165 VanDerWaalsContact O-CG 3.25Å; S161-N165 PolarHBondContact O-N 2.82Å; S161-N165 PolarHBondContact O-ND2 2.76Å
162D85.3Confident82.9Confident34 Ų3446.2 Ų46.218%0.18225%0.253CS..Hα-helixtrans-71-38.7-177-61.6-3.8000110.5F157 S159 H160 N165 A166F157-D162 HydrophobicContact CB-CB 4.46Å; F157-D162 HydrophobicContact CD1-CB 3.92Å; F157-D162 HydrophobicContact CG-CB 4.4Å; S159-D162 PolarHBondContact O-N 3.32Å; H160-D162 VanDerWaalsContact C-N 3.29Å; H160-D162 PolarHBondContact O-N 3.42Å; D162-N165 PolarHBondContact O-N 3.02Å; D162-A166 VanDerWaalsContact O-CB 3.29Å; D162-A166 WeakPolarHBondContact O-CB 3.5Å; D162-A166 PolarHBondContact O-N 3.02Å
163L83.3Confident82.7Confident1 Ų147.6 Ų47.61%0.00526%0.259CS..Hα-helixtrans-59.3-47.3171.3-176.3152.5000111.5N114 L116 F157 S159 H160 A166 L167 E184N114-L163 VanDerWaalsContact C-CD1 3.45Å; N114-L163 HydrophobicContact CB-CD1 3.84Å; N114-L163 WeakPolarHBondContact O-CD1 3.17Å; L116-L163 HydrophobicContact CB-CD1 4.2Å; L116-L163 HydrophobicContact CB-CG 4.39Å; L116-L163 HydrophobicContact CD1-CD2 4.37Å; L116-L163 HydrophobicContact CD1-CG 3.98Å; F157-L163 HydrophobicContact CB-CB 4.33Å; F157-L163 HydrophobicContact CD2-CB 3.88Å; F157-L163 HydrophobicContact CD2-CD1 4.42Å; F157-L163 HydrophobicContact CD2-CG 4.22Å; F157-L163 HydrophobicContact CG-CB 4.29Å; S159-L163 PolarHBondContact O-N 2.74Å; H160-L163 PolarHBondContact O-N 3.25Å; L163-A166 PolarHBondContact O-N 2.74Å; L163-L167 WeakPolarHBondContact O-CB 3.42Å; L163-L167 PolarHBondContact O-N 3.23Å; L163-E184 HydrophobicContact CD2-CB 4.44Å; L163-E184 HydrophobicContact CD2-CG 4.11Å
164K84.6Confident82.3Confident127 Ų12753.9 Ų53.955%0.55229%0.288SS*.Hα-helixtrans-65.4-42.9179.8-171.7179.9178-175.50111.4H160 S161 A166 L167 E168H160-K164 PolarHBondContact O-N 3.36Å; S161-K164 PolarHBondContact O-N 3.3Å; K164-A166 VanDerWaalsContact C-N 3.31Å; K164-A166 PolarHBondContact O-N 2.73Å; K164-L167 PolarHBondContact O-N 2.84Å; K164-E168 WeakPolarHBondContact O-CB 3.24Å; K164-E168 PolarHBondContact O-N 3.47Å
165N84.1Confident81.8Confident63 Ų6354 Ų5434%0.33729%0.288SS..Hα-helixtrans-61.2-40.1174.7-75-26.2000111.9S161 D162 K169S161-N165 WeakPolarHBondContact O-CB 3.13Å; S161-N165 VanDerWaalsContact O-CG 3.25Å; S161-N165 PolarHBondContact O-N 2.82Å; S161-N165 PolarHBondContact O-ND2 2.76Å; D162-N165 PolarHBondContact O-N 3.02Å; N165-K169 WeakPolarHBondContact O-CB 3.22Å; N165-K169 PolarHBondContact O-N 3.02Å
166A82.9Confident80.8Confident0 Ų058.9 Ų58.90%031%0.314CS..Hα-helixtrans-65.3-46.3174.800000110.9M134 A137 F157 D162 L163 K164 E168 L170 L182M134-A166 HydrophobicContact CE-CB 4.06Å; M134-A166 HydrophobicContact SD-CB 4.18Å; A137-A166 VanDerWaalsContact CB-CA 3.49Å; A137-A166 HydrophobicContact CB-CB 3.58Å; F157-A166 HydrophobicContact CE1-CB 4.37Å; F157-A166 HydrophobicContact CE2-CB 3.99Å; F157-A166 HydrophobicContact CZ-CB 3.56Å; D162-A166 VanDerWaalsContact O-CB 3.29Å; D162-A166 WeakPolarHBondContact O-CB 3.5Å; D162-A166 PolarHBondContact O-N 3.02Å; L163-A166 PolarHBondContact O-N 2.74Å; K164-A166 VanDerWaalsContact C-N 3.31Å; K164-A166 PolarHBondContact O-N 2.73Å; A166-E168 VanDerWaalsContact C-N 3.29Å; A166-E168 PolarHBondContact O-N 3.24Å; A166-L170 HydrophobicContact CB-CD1 4.07Å; A166-L170 VanDerWaalsContact O-CA 3.27Å; A166-L170 WeakPolarHBondContact O-CA 3.21Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 PolarHBondContact O-N 3.21Å; A166-L182 WeakPolarHBondContact O-CD1 3.46Å
167L84.1Confident80.3Confident55 Ų5561 Ų6129%0.28834%0.342SS..Hα-helixtrans-58.5-42.1177.6-172.568.7000111.6L163 K164 S171 L182L163-L167 WeakPolarHBondContact O-CB 3.42Å; L163-L167 PolarHBondContact O-N 3.23Å; K164-L167 PolarHBondContact O-N 2.84Å; L167-S171 WeakPolarHBondContact O-CB 3.07Å; L167-S171 PolarHBondContact O-OG 2.97Å; L167-L182 HydrophobicContact CD1-CB 3.69Å; L167-L182 WeakPolarHBondContact CD1-O 3.17Å
168E81.4Confident79.9Confident137 Ų13765.5 Ų65.564%0.6436%0.36SS*.Hα-helixtrans-75.8-44.8-177.3-168.2177.8160.700112.9K164 A166K164-E168 WeakPolarHBondContact O-CB 3.24Å; K164-E168 PolarHBondContact O-N 3.47Å; A166-E168 VanDerWaalsContact C-N 3.29Å; A166-E168 PolarHBondContact O-N 3.24Å
169K80Confident79.7Confident137 Ų13769.2 Ų69.260%0.59637%0.368SS*.Hα-helixtrans-95.2-24.6-172-63.9177.7-179.8174.10114.2N165 K173N165-K169 WeakPolarHBondContact O-CB 3.22Å; N165-K169 PolarHBondContact O-N 3.02Å; K169-K173 WeakPolarHBondContact O-CE 3.22Å
170L76.4Confident79.8Confident2 Ų267.2 Ų67.21%0.0135%0.353CS..Hα-helixtrans-108.3-8-173.5-54.3-177.8000113F133 M134 A137 A166 K173 L182F133-L170 HydrophobicContact CD1-CD1 4.17Å; F133-L170 HydrophobicContact CE1-CB 3.75Å; F133-L170 HydrophobicContact CE1-CD1 3.96Å; F133-L170 HydrophobicContact CE1-CD2 3.96Å; F133-L170 HydrophobicContact CE1-CG 4.11Å; F133-L170 HydrophobicContact CZ-CB 4.21Å; F133-L170 HydrophobicContact CZ-CD2 3.9Å; F133-L170 HydrophobicContact CZ-CG 4.5Å; M134-L170 HydrophobicContact SD-CD1 3.58Å; M134-L170 VanDerWaalsContact SD-CD1 3.58Å; A137-L170 HydrophobicContact CB-CD1 3.41Å; A137-L170 VanDerWaalsContact CB-CD1 3.41Å; A137-L170 HydrophobicContact CB-CG 4Å; A166-L170 HydrophobicContact CB-CD1 4.07Å; A166-L170 VanDerWaalsContact O-CA 3.27Å; A166-L170 WeakPolarHBondContact O-CA 3.21Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 PolarHBondContact O-N 3.21Å; L170-K173 HydrophobicContact CD2-CD 3.68Å; L170-L182 HydrophobicContact CB-CD1 3.69Å
171S80.5Confident79.8Confident56 Ų5668.2 Ų68.239%0.39236%0.356SS..THydrogen-bonded Turntrans-71.1135.4171.464.70000110.1L167 K173L167-S171 WeakPolarHBondContact O-CB 3.07Å; L167-S171 PolarHBondContact O-OG 2.97Å; S171-K173 PolarHBondContact O-N 3.49Å
172G76.2Confident79.7Confident42 Ų4265.9 Ų65.943%0.43334%0.34SS..THydrogen-bonded Turntrans78.2-0.7-179.800000115.2K179 I180G172-K179 WeakPolarHBondContact O-CG 3.4Å; G172-I180 WeakPolarHBondContact CA-O 3.43Å; G172-I180 PolarHBondContact N-O 3.45Å
173K78.1Confident79.5Confident66 Ų6666.9 Ų66.929%0.28734%0.344SS..  trans-69.6144.1172.7-84-170.3176.41780111.4F133 K169 L170 S171 I175 K179 I180F133-K173 HydrophobicContact CE2-CB 4.29Å; F133-K173 HydrophobicContact CE2-CD 3.84Å; F133-K173 HydrophobicContact CZ-CB 3.61Å; F133-K173 HydrophobicContact CZ-CD 3.45Å; F133-K173 VanDerWaalsContact CZ-CD 3.45Å; F133-K173 HydrophobicContact CZ-CG 4.16Å; K169-K173 WeakPolarHBondContact O-CE 3.22Å; L170-K173 HydrophobicContact CD2-CD 3.68Å; S171-K173 PolarHBondContact O-N 3.49Å; K173-I175 PolarHBondContact O-N 3.02Å; K173-K179 WeakPolarHBondContact O-CA 3.39Å; K173-I180 PolarHBondContact O-N 3.07Å
174E77.2Confident79.3Confident131 Ų13171 Ų7161%0.61236%0.364SS*.EExtended strand (participates in β ladder)trans-87.9109.2-178.2-67.6176.9149.900110.2R178 K179E174-R178 CarbonylContact C-O 3.58Å; E174-R178 WeakPolarHBondContact CA-O 3.05Å; E174-K179 HydrophobicContact CG-CD 4.34Å; E174-K179 HydrophobicContact CG-CG 3.45Å; E174-K179 VanDerWaalsContact CG-CG 3.45Å; E174-K179 WeakPolarHBondContact OE1-CE 3.48Å; E174-K179 IonicContact OE1-NZ 3.92Å
175I74.6Confident78.4Confident16 Ų1666.4 Ų66.48%0.08235%0.349CS..EExtended strand (participates in β ladder)trans-103119.5168.2-54.7-175.3000107.6V125 F133 K173 G177 R178 I180V125-I175 HydrophobicContact CG1-CG2 4.19Å; V125-I175 HydrophobicContact CG2-CB 4.35Å; V125-I175 HydrophobicContact CG2-CG2 3.46Å; V125-I175 VanDerWaalsContact CG2-CG2 3.46Å; F133-I175 HydrophobicContact CB-CD1 4.13Å; F133-I175 HydrophobicContact CD1-CD1 3.6Å; F133-I175 HydrophobicContact CD2-CD1 3.81Å; F133-I175 HydrophobicContact CD2-CG1 4.09Å; F133-I175 HydrophobicContact CE1-CD1 3.78Å; F133-I175 HydrophobicContact CE1-CG1 4.37Å; F133-I175 HydrophobicContact CE2-CD1 4Å; F133-I175 HydrophobicContact CE2-CG1 3.93Å; F133-I175 HydrophobicContact CG-CD1 3.57Å; F133-I175 HydrophobicContact CG-CG1 4.36Å; F133-I175 HydrophobicContact CZ-CD1 3.96Å; F133-I175 HydrophobicContact CZ-CG1 4.05Å; K173-I175 PolarHBondContact O-N 3.02Å; I175-G177 PolarHBondContact O-N 3.03Å; I175-R178 PolarHBondContact N-O 3.46Å; I175-R178 PolarHBondContact O-N 3.27Å; I175-R178 VanDerWaalsContact O-N 3.12Å; I175-I180 HydrophobicContact CB-CG2 4.3Å; I175-I180 HydrophobicContact CD1-CD1 3.82Å; I175-I180 HydrophobicContact CD1-CG2 4.04Å; I175-I180 HydrophobicContact CG1-CD1 4.44Å; I175-I180 HydrophobicContact CG1-CG2 4.15Å
176N66.4Low76.8Confident103 Ų10368.2 Ų68.255%0.55137%0.367SS*.THydrogen-bonded Turntrans52.742177.7-66.2-28.8000113V125 R178V125-N176 HydrophobicContact CG2-CB 4.18Å; V125-N176 VanDerWaalsContact CG2-ND2 3.3Å; V125-N176 WeakPolarHBondContact CG2-ND2 3.42Å; N176-R178 VanDerWaalsContact C-N 3.35Å; N176-R178 PolarHBondContact O-N 2.62Å
177G74.5Confident75.2Confident69 Ų6976.8 Ų76.871%0.71140%0.404SS*.THydrogen-bonded Turntrans78.79.1177.100000115.4I175I175-G177 PolarHBondContact O-N 3.03Å
178R76.5Confident73.2Confident96 Ų9683.8 Ų83.836%0.36243%0.432SS..EExtended strand (participates in β ladder)trans-124.7134.1172.1-65.7-168.5-177.5166.9-3.1111.2N151 E174 I175 N176 I180N151-R178 PolarHBondContact OD1-NH1 2.83Å; E174-R178 CarbonylContact C-O 3.58Å; E174-R178 WeakPolarHBondContact CA-O 3.05Å; I175-R178 PolarHBondContact N-O 3.46Å; I175-R178 PolarHBondContact O-N 3.27Å; I175-R178 VanDerWaalsContact O-N 3.12Å; N176-R178 VanDerWaalsContact C-N 3.35Å; N176-R178 PolarHBondContact O-N 2.62Å; R178-I180 PolarHBondContact O-N 3.29Å
179K81Confident71.2Confident121 Ų12187.3 Ų87.353%0.52644%0.439SS..EExtended strand (participates in β ladder)trans-73.2117.6173.8-66-176.7-177.8-177.10109.5N120 G172 K173 E174N120-K179 PolarHBondContact ND2-O 2.9Å; G172-K179 WeakPolarHBondContact O-CG 3.4Å; K173-K179 WeakPolarHBondContact O-CA 3.39Å; E174-K179 HydrophobicContact CG-CD 4.34Å; E174-K179 HydrophobicContact CG-CG 3.45Å; E174-K179 VanDerWaalsContact CG-CG 3.45Å; E174-K179 WeakPolarHBondContact OE1-CE 3.48Å; E174-K179 IonicContact OE1-NZ 3.92Å
180I83.8Confident69.3Low1 Ų185.4 Ų85.41%0.00544%0.444CS..  trans-78.1141.6174.664.9167.8000109.9V118 L121 F133 G172 K173 I175 R178 L182V118-I180 HydrophobicContact CG1-CB 3.79Å; V118-I180 HydrophobicContact CG1-CD1 4.03Å; V118-I180 HydrophobicContact CG1-CG1 4.45Å; V118-I180 HydrophobicContact CG1-CG2 4.15Å; L121-I180 HydrophobicContact CD2-CG2 3.98Å; L121-I180 HydrophobicContact CG-CG2 4.3Å; F133-I180 HydrophobicContact CD1-CD1 4.17Å; F133-I180 HydrophobicContact CE1-CD1 3.54Å; F133-I180 HydrophobicContact CZ-CD1 4.25Å; G172-I180 WeakPolarHBondContact CA-O 3.43Å; G172-I180 PolarHBondContact N-O 3.45Å; K173-I180 PolarHBondContact O-N 3.07Å; I175-I180 HydrophobicContact CB-CG2 4.3Å; I175-I180 HydrophobicContact CD1-CD1 3.82Å; I175-I180 HydrophobicContact CD1-CG2 4.04Å; I175-I180 HydrophobicContact CG1-CD1 4.44Å; I175-I180 HydrophobicContact CG1-CG2 4.15Å; R178-I180 PolarHBondContact O-N 3.29Å; I180-L182 HydrophobicContact CD1-CD2 3.91Å; I180-L182 HydrophobicContact CD1-CG 4.36Å
181K80Confident67.6Low117 Ų11795.8 Ų95.851%0.50948%0.483SS..EExtended strand (participates in β ladder)trans-109.8121.9173.2-178.9-177.9175.1-159.40108.4V118 E119 I183V118-K181 CarbonylContact C-O 3.54Å; V118-K181 WeakPolarHBondContact CA-O 3.29Å; E119-K181 HydrophobicContact CB-CB 4.19Å; E119-K181 PolarHBondContact N-O 2.97Å; E119-K181 PolarHBondContact O-N 3.39Å; E119-K181 IonicContact OE2-NZ 3.56Å; K181-I183 HydrophobicContact CG-CG1 4.35Å
182L82.3Confident65.7Low10 Ų1097.6 Ų97.65%0.05250%0.495CS..EExtended strand (participates in β ladder)trans-96.7127.6-179.1-62.2175.2000108.1L116 V118 M134 A166 L167 L170 I180L116-L182 HydrophobicContact CD1-CB 4.23Å; L116-L182 HydrophobicContact CD2-CB 3.8Å; L116-L182 HydrophobicContact CD2-CD2 3.34Å; L116-L182 HydrophobicContact CD2-CG 4.07Å; L116-L182 HydrophobicContact CG-CB 4.4Å; V118-L182 HydrophobicContact CB-CD2 4.17Å; V118-L182 HydrophobicContact CG1-CD2 3.87Å; V118-L182 HydrophobicContact CG2-CD2 3.6Å; M134-L182 HydrophobicContact CE-CD2 3.94Å; M134-L182 HydrophobicContact SD-CD2 4.35Å; A166-L182 WeakPolarHBondContact O-CD1 3.46Å; L167-L182 HydrophobicContact CD1-CB 3.69Å; L167-L182 WeakPolarHBondContact CD1-O 3.17Å; L170-L182 HydrophobicContact CB-CD1 3.69Å; I180-L182 HydrophobicContact CD1-CD2 3.91Å; I180-L182 HydrophobicContact CD1-CG 4.36Å
183I81.3Confident64.1Low54 Ų54107 Ų10728%0.27752%0.518SS..EExtended strand (participates in β ladder)trans-125.4123.4178-60.5-173.9000107.8I117 E119 K181 A185I117-I183 HydrophobicContact CB-CB 4.46Å; I117-I183 PolarHBondContact N-O 2.77Å; I117-I183 PolarHBondContact O-N 2.91Å; E119-I183 HydrophobicContact CG-CD1 4Å; E119-I183 WeakPolarHBondContact OE1-CD1 3.2Å; E119-I183 VanDerWaalsContact OE2-CD1 3.22Å; E119-I183 WeakPolarHBondContact OE2-CD1 3.33Å; K181-I183 HydrophobicContact CG-CG1 4.35Å; I183-A185 PolarHBondContact O-N 3.04Å
184E79Confident62.2Low89 Ų89108.2 Ų108.242%0.41653%0.534SS..EExtended strand (participates in β ladder)trans-64.2126.9169.7-175.2177.1-163.300109.3H160 L163 S186H160-E184 IonicContact CE1-OE1 3.41Å; H160-E184 IonicContact ND1-OE1 2.75Å; L163-E184 HydrophobicContact CD2-CB 4.44Å; L163-E184 HydrophobicContact CD2-CG 4.11Å; E184-S186 PolarHBondContact O-N 3.41Å
185A66Low60.5Low30 Ų30113.7 Ų113.725%0.24855%0.549CS..  trans-73.379.1174.700000109R115 I117 I183 K187R115-A185 HydrophobicContact CB-CB 4Å; R115-A185 HydrophobicContact CG-CB 3.87Å; R115-A185 VanDerWaalsContact O-CB 3.31Å; R115-A185 WeakPolarHBondContact O-CB 3.3Å; R115-A185 PolarHBondContact O-N 3.35Å; I117-A185 HydrophobicContact CD1-CB 3.85Å; I117-A185 HydrophobicContact CG1-CB 4.08Å; I183-A185 PolarHBondContact O-N 3.04Å; A185-K187 PolarHBondContact O-N 3.47Å
186S51.4Low58.8Low101 Ų101117.9 Ų117.971%0.70658%0.58SS**  trans-55.8130.7175.5-179.70000109.7E184 K188E184-S186 PolarHBondContact O-N 3.41Å; S186-K188 PolarHBondContact O-N 3.28Å
187K48.5Very low57.5Low179 Ų179120.4 Ų120.478%0.77859%0.594SS**  trans-19.297.3176.9-80.6172.4174.8167.60111.9A185 R189A185-K187 PolarHBondContact O-N 3.47Å; K187-R189 PolarHBondContact O-N 2.97Å
188K41.3Very low55.6Low203 Ų203122.3 Ų122.388%0.88360%0.596SS**  trans-66.192.6143.7-78.5-153.3179.7-172.40104.4S186 S190S186-K188 PolarHBondContact O-N 3.28Å; K188-S190 PolarHBondContact O-N 3.48Å
189R39.7Very low53.6Low210 Ų210122.5 Ų122.579%0.79261%0.612SS**  trans-46.189.8163.2-174.7178.4-175.9-144.23.1105.5K187 R191K187-R189 PolarHBondContact O-N 2.97Å; R189-R191 PolarHBondContact O-N 3.22Å
190S40.2Very low51.5Low98 Ų98122 Ų12269%0.68562%0.624SS**  trans-59.5106.116740.90000102.4K188 S192K188-S190 PolarHBondContact O-N 3.48Å; S190-S192 PolarHBondContact O-N 3.01Å
191R42Very low49.2Very low220 Ų220133.2 Ų133.283%0.8367%0.666SS**  trans-65.277.9171.9-161.7178.4-171.2113.8-2.6104.4R189 R193R189-R191 PolarHBondContact O-N 3.22Å; R191-R193 VanDerWaalsContact C-N 3.31Å; R191-R193 PolarHBondContact O-N 2.96Å
192S40.1Very low47Very low93 Ų93133 Ų13365%0.6568%0.68SS**  trans-58105169.339.50000104.4S190 S194S190-S192 PolarHBondContact O-N 3.01Å; S192-S194 PolarHBondContact O-N 3.03Å
193R42.6Very low44.8Very low241 Ų241143.7 Ų143.791%0.90972%0.719SS**  trans-62.583155.2-91.7179.9164.6121.2-5.9105.1R191 R195R191-R193 VanDerWaalsContact C-N 3.31Å; R191-R193 PolarHBondContact O-N 2.96Å; R193-R195 PolarHBondContact O-N 2.83Å
194S38.3Very low42.6Very low91 Ų91146.7 Ų146.764%0.63675%0.745SS**  trans-60.6104165.928.80000106.7S192 S196S192-S194 PolarHBondContact O-N 3.03Å; S194-S196 VanDerWaalsContact C-N 3.32Å; S194-S196 PolarHBondContact O-N 3.04Å; S194-S196 VanDerWaalsContact O-N 3.14Å
195R41.9Very low40.5Very low245 Ų245154.3 Ų154.393%0.92577%0.77SS**  trans-67.3101.7154.7-82.4179.6168.5151.2-4105.1R193 D197R193-R195 PolarHBondContact O-N 2.83Å; R195-D197 PolarHBondContact O-N 3.45Å
196S38.1Very low39Very low105 Ų105158.4 Ų158.473%0.73480%0.796SS**  trans-58.6116.6-176.2-44.30000110.3S194S194-S196 VanDerWaalsContact C-N 3.32Å; S194-S196 PolarHBondContact O-N 3.04Å; S194-S196 VanDerWaalsContact O-N 3.14Å
197D39.8Very low38.3Very low155 Ų155165.6 Ų165.683%0.82981%0.808SS**  trans-61.1120.9154.6179.6-90.4000108.2R195R195-D197 PolarHBondContact O-N 3.45Å
198S34.4Very low37.5Very low110 Ų110160.7 Ų160.777%0.76981%0.809SS**  trans-11291.1174.5530000110.1
199S34.1Very low37.1Very low99 Ų99162.9 Ų162.969%0.69281%0.812SS**  44.8102.5125.5-163.60000116.8R201S199-R201 PolarHBondContact O-N 2.97Å
200S36.6Very low36.9Very low112 Ų112158 Ų15878%0.78381%0.81SS**  trans-56123.8163.552.30000112.6
201R35.4Very low36.4Very low236 Ų236162.6 Ų162.689%0.89182%0.82SS**  trans-121.789.2164-128.4176.4-173.5169.72.7109.6S199S199-R201 PolarHBondContact O-N 2.97Å
202S34.8Very low36Very low112 Ų112157 Ų15778%0.78382%0.815SS**  trans-74.3120.1168.944.60000110.4
203R35Very low35.4Very low235 Ų235158.3 Ų158.389%0.88782%0.823SS**  trans-134.4102.4158.8-91.6-175.4173.4153.9-2.3109.4
204S35.7Very low35.2Very low116 Ų116152.3 Ų152.381%0.81182%0.818SS**  trans-74.4130.1166.836.50000110.2
205R34.7Very low35.2Very low249 Ų249154 Ų15494%0.9483%0.826SS**  trans-149.5110146.4-78.3-159172.1142.9-2.8109.7
206S35.6Very low34.9Very low116 Ų116153.9 Ų153.981%0.81183%0.826SS**  trans-75.7141.2167.339.90000110.6
207R35.4Very low34.6Very low252 Ų252160.2 Ų160.295%0.95183%0.834SS**  trans-159108.8149.2-105173.1-170.5169.51.8107.6
208G32.4Very low34.4Very low77 Ų77156.6 Ų156.679%0.79482%0.821SS**  trans-78.2155.7177.400000112.5
209R32.7Very low34.3Very low249 Ų249162.8 Ų162.894%0.9483%0.827SS**  trans-159125.7145.6-119177.8-178-142.31.1109.3
210S34.7Very low34.5Very low108 Ų108163.7 Ų163.776%0.75583%0.834SS**  trans-58141.2172.529.30000112.6
211Q29.6Very low34.8Very low193 Ų193164.2 Ų164.290%0.90284%0.835SS**  -178140.6127.3-107.9171.2-16.800112.3
212S34.8Very low34.7Very low102 Ų102157 Ų15771%0.71383%0.825SS**  trans-63.9172.8172.545.90000114.3
213C27.8Very low34.6Very low121 Ų121161.5 Ų161.582%0.81883%0.831SS**  trans98.2110.3160.2-71.90000117.8
214S38.3Very low34.5Very low115 Ų115154.3 Ų154.380%0.80482%0.821SS**  trans-53.2156.6151.6-39.30000112.2
215P37.9Very low34.1Very low127 Ų127157.2 Ų157.283%0.82582%0.822SS**  trans-133.6134135.2173.7000113.6
216R34.3Very low33.9Very low243 Ų243152.3 Ų152.392%0.91781%0.809SS**  trans-78.1151.7163.7-75.3175.7168.5-1140.9110.6
217R31.6Very low33.6Very low237 Ų237157.4 Ų157.489%0.89481%0.811SS**  trans-174143.6139.6-109.3-170.2171.2-150.8-1.1107.9
218S35.8Very low33.5Very low80 Ų80150.3 Ų150.356%0.55980%0.8SS**  cis169.9138-16.143.80000104.6
219R32.4Very low33.5Very low239 Ų239158.5 Ų158.590%0.90281%0.806SS**  168.5106.2125.7-94.2168.2175.2170.5-2.3110.3
220S39.7Very low33.4Very low118 Ų118151.7 Ų151.783%0.82580%0.797SS**  trans-100157.9144.2-48.90000107.3
221P42.3Very low33.2Very low124 Ų124157.8 Ų157.881%0.80580%0.803SS**  trans-132.4153.8138.634.6-22.3000110
222A32.8Very low33.4Very low83 Ų83154.3 Ų154.369%0.68680%0.8SS**  cis-169146.6-14.700000106.5
223K33.6Very low33.2Very low208 Ų208152.4 Ų152.490%0.90480%0.797SS**  trans41.6147.9136.4-66.8-173.7175.2-176.60120.1
224A32.1Very low33.9Very low83 Ų83153.4 Ų153.469%0.68680%0.8SS**  cis175.9154.2-8.200000105.1
225H27.8Very low34.3Very low178 Ų178153.5 Ų153.582%0.82480%0.798SS**  170.9157110.8-146.5-93.6000112.3
226H30.8Very low34.1Very low145 Ų145151.7 Ų151.767%0.67179%0.793SS**  trans-85.3165.3-165.2-77.8-97.7000116.6
227R29.8Very low34Very low224 Ų224152.5 Ų152.585%0.84580%0.796SS**  trans90.6107.1133-92.7169.1-178178.40.6120.3
228S32.5Very low34Very low103 Ų103144.9 Ų144.972%0.7279%0.791SS**  40.7120.6126.461.60000120.8
229R31.5Very low33.8Very low249 Ų249145.6 Ų145.694%0.9480%0.802SS**  -171.4148.1123.6-107.7167.1176.3149.9-3.1112.1
230S31.6Very low33.7Very low106 Ų106139.5 Ų139.574%0.74180%0.796SS**  trans-80.5157.2-17025.10000114.7
231R31Very low33.5Very low235 Ų235139.4 Ų139.489%0.88780%0.796SS**  179.5126.3127.6-100.5167.1179-176-1.2114.6
232S32.8Very low33.7Very low120 Ų120139.3 Ų139.384%0.83980%0.795SS**  trans48.6132.6143.355.30000121.8
233G30.6Very low33.8Very low62 Ų62140.9 Ų140.964%0.63980%0.801SS**  cis176162.55.300000115
234T43.5Very low34.4Very low143 Ų143137 Ų13788%0.87780%0.797SS**  trans68.6150.6148.348.20000122.4
235P46.7Very low34.5Very low117 Ų117142.7 Ų142.776%0.7681%0.806SS**  -135.4179-124.143.9-27.4000117.5
236A32.8Very low34.9Very low89 Ų89139.5 Ų139.574%0.73680%0.804SS**  trans78120.3143.500000120.4
237R32.5Very low35.1Very low259 Ų259142.5 Ų142.598%0.97782%0.815SS**  -166.6130.8116.4-98.1163.4-169.6-132.82.9109.8
238G30.8Very low35.4Very low77 Ų77139.3 Ų139.379%0.79482%0.815SS**  trans-119.1-167176.900000112.6
239A31.8Very low36.4Very low95 Ų95139.3 Ų139.379%0.78581%0.812SS**  trans98.199164.500000118.4
240S31.2Very low36.7Very low111 Ų111136.6 Ų136.678%0.77681%0.808SS**  51.1128.4106.8-46.20000122.9
241S34.2Very low36.6Very low117 Ų117142.5 Ų142.582%0.81881%0.814SS**  trans92140.2137.4-60.30000121.4
242P47.1Very low36.7Very low122 Ų122135.6 Ų135.679%0.79280%0.801SS**  trans-99.6156.2-177.838.3-33.4000115.1
243S36Very low36.8Very low116 Ų116135.7 Ų135.781%0.81180%0.802SS**  trans-164.2150.1163.2-65.60000110
244P46.2Very low37.1Very low127 Ų127142.2 Ų142.283%0.82581%0.813SS**  -143.6133115.133.8-18.1000111.6
245K32.5Very low36.4Very low201 Ų201143.1 Ų143.187%0.87481%0.812SS**  65.410766.3-80.4-166.3-179.7-179.60117
246S37.7Very low35.9Very low112 Ų112142.1 Ų142.178%0.78381%0.808SS**  trans-59.4150.8162.937.10000115
247K34.5Very low36Very low207 Ų207147.9 Ų147.990%0.982%0.817SS**  trans-156.6120.3153-70.1-164.9-179.4176.80112.1
248D36.7Very low35.9Very low158 Ų158140.7 Ų140.785%0.84581%0.806SS**  trans-100.7177.6142.4-77.7-66.5000107.2
249P52.1Low36.2Very low102 Ų102143.8 Ų143.866%0.66281%0.81SS**  cis-151.6-178.41837.4-12.3000119.7
250K37.9Very low36.8Very low193 Ų193144.8 Ų144.884%0.83981%0.806SS**  trans82144.7154.1-44.4-165.7-178.5178.60118.6
251R30.3Very low37.3Very low229 Ų229145.7 Ų145.786%0.86481%0.809SS**  cis-168.9141.228-154.6-164.2172.5-149.41.2113.7
252S34Very low37.3Very low90 Ų90145.3 Ų145.363%0.62981%0.807SS**  trans31.4135144.771.10000125.5
253S34.2Very low37.1Very low123 Ų123145 Ų14586%0.8681%0.807SS**  -157.8150.1115.865.50000112.8
254K36.2Very low38.1Very low199 Ų199145.1 Ų145.187%0.86581%0.805SS**  trans-81.4152.6-167.3-54.6163.1178.5177.10112.5
255N29.7Very low38.3Very low161 Ų161145 Ų14586%0.86180%0.804SS**  -164.3146.1122.7-153.69.8000112.6
256S34.9Very low39.5Very low97 Ų97141.4 Ų141.468%0.67880%0.802SS**  trans-90.2151.3-169.5-42.50000112.5
257K35Very low39.3Very low209 Ų209140.8 Ų140.891%0.90980%0.803SS**  -179.4134.6121.8-98.8168.3-178.4179.90112.7
258S31.8Very low39.4Very low108 Ų108140 Ų14076%0.75580%0.803SS**  trans-80.1143-17946.20000113.9
259V36.8Very low39.2Very low143 Ų143143.8 Ų143.887%0.86781%0.805SS**  trans-152.3143.4138.2-168.40000109
260T44.3Very low38.6Very low116 Ų116143.6 Ų143.671%0.71281%0.806SS**  trans-68.3167.6-166.149.20000117.1
261P42.3Very low38.5Very low129 Ų129139.9 Ų139.984%0.83880%0.804SS**  trans-126.7123140.928.4-13000112.5
262S34Very low38.9Very low110 Ų110140.7 Ų140.777%0.76981%0.808SS**  trans-85.7128.6173-57.40000110.8
263S42.7Very low39Very low115 Ų115142 Ų14280%0.80482%0.817SS**  trans-66.3161.2164.7-52.30000112.3
264P55.3Low39.3Very low119 Ų119147.7 Ų147.777%0.77382%0.819SS**  trans-131.1150.5137.634.5-23.9000114.4
265P51.5Low39.3Very low124 Ų124143.7 Ų143.781%0.80582%0.816SS**  trans-100.7-177.4172.742.2-34.3000112.6
266P57.8Low39.7Very low126 Ų126147.7 Ų147.782%0.81882%0.819SS**  trans-105.7166.1-153.140.4-33.8000115.1
267A34Very low39.8Very low98 Ų98148.5 Ų148.581%0.8183%0.825SS**  trans-176.5137.1142.300000115
268Q36.4Very low39.8Very low192 Ų192149.9 Ų149.990%0.89783%0.825SS**  trans-3.6141155.7-49.3-162.6-41.500121.3
269R33Very low40.1Very low237 Ų237150 Ų15089%0.89483%0.825SS**  -169.8145.5111.6-139.3159.9170.4-95.94.9113.4
270S38.3Very low40Very low98 Ų98154.7 Ų154.769%0.68583%0.828SS**  trans-65.3147.1168.351.90000112.7
271S35.6Very low39.7Very low114 Ų114153.7 Ų153.780%0.79783%0.825SS**  trans-158.3123.9139.151.60000111.6
272R38.4Very low39.3Very low247 Ų247159 Ų15993%0.93283%0.828SS**  trans-59.1137.5158.1-84.3166159.4155.7-6.4108.9
273S37.7Very low39.5Very low117 Ų117158.2 Ų158.282%0.81882%0.823SS**  trans-145131.8147.258.80000111
274R38.8Very low39.3Very low243 Ų243163.7 Ų163.792%0.91783%0.826SS**  trans-84.2144.8176-72.4167.2161.8166.4-6.1109.3
275S37.9Very low38.4Very low115 Ų115162.5 Ų162.580%0.80482%0.821SS**  trans-179.2111.9144.434.60000106.1
276R37.2Very low37.9Very low244 Ų244168 Ų16892%0.92183%0.825SS**  56.397.552.5-94.9-169.4178.7178.60.8114.6
277S37.7Very low37.2Very low115 Ų115166.8 Ų166.880%0.80482%0.82SS**  trans177.7151.2138.944.60000108.6
278R34.3Very low37.5Very low237 Ų237174.1 Ų174.189%0.89483%0.826SS**  cis172.1128-22.2-116.3178.3171.7174.5-1.7104.3
279S37.5Very low38.1Very low110 Ų110170.5 Ų170.577%0.76982%0.822SS**  trans165.2107.514048.90000109.5
280R35.7Very low39Very low243 Ų243164.8 Ų164.892%0.91782%0.816SS**  61.3128.885.8-76.8-177.7169.1176.8-3.7111
281S36.8Very low39.2Very low95 Ų95172.4 Ų172.466%0.66483%0.83SS**  cis176.9155.821.938.20000110.6
282R35.6Very low39.5Very low239 Ų239172.3 Ų172.390%0.90283%0.829SS**  trans60.6138.1141-73.4173.7173.5-179.6-3.7117.1
283S37.1Very low39.6Very low94 Ų94172.1 Ų172.166%0.65783%0.829SS**  cis177171.424.643.60000109.9
284R38.5Very low39.9Very low231 Ų231171.5 Ų171.587%0.87282%0.824SS**  trans75.7141.7156.8-73.3171.6174.8-173.4-2.5116.6
285S36.3Very low40.9Very low94 Ų94165.1 Ų165.166%0.65781%0.814SS**  cis155.9131-14.745.70000104.6
286R42.2Very low41.1Very low239 Ų239164.6 Ų164.690%0.90281%0.81SS**  trans160.496.1152.5-93.1167179.3-160.4-1.3109.1
287S41.9Very low41.7Very low100 Ų100159.2 Ų159.270%0.69981%0.805SS**  89.897.982.863.90000113
288R39.9Very low42.2Very low252 Ų252160.5 Ų160.595%0.95180%0.803SS**  trans-122.3108.4150.5-84.9-173.2170.6-158.6-2.4107
289S49.4Very low43Very low116 Ų116153 Ų15381%0.81179%0.786SS**  trans-85.6136.8177.5-54.70000110.2
290P51.4Low43.9Very low118 Ų118156 Ų15677%0.76679%0.789SS**  trans-96.3146.4155.534.4-25.2000109.7
291R43.8Very low44.7Very low258 Ų258158.9 Ų158.997%0.97480%0.799SS**  trans-138.9107.6165.6-117-179.7175.5-121.11.5108.6
292S40.8Very low45.1Very low112 Ų112162.1 Ų162.178%0.78381%0.806SS**  trans-125.4124.4166.148.70000108.1
293R40.9Very low45.6Very low243 Ų243158 Ų15892%0.91780%0.801SS**  trans169.6129.2166.3-109175176.3-124-0.1105.4
294S44.3Very low46Very low103 Ų103161.6 Ų161.672%0.7281%0.809SS**  cis-165.8-179.536.8-570000109.9
295P59.3Low46.5Very low109 Ų109157.5 Ų157.571%0.70881%0.805SS**  trans-104.7-176.8-161.141.7-33.9000115.6
296S41.8Very low47.1Very low104 Ų104161.4 Ų161.473%0.72781%0.814SS**  trans77.8136.4161.8-39.60000113.6
297T49.5Very low47.4Very low131 Ų131156.3 Ų156.380%0.80481%0.809SS**  cis-170140.642.8390000106.5
298D49.6Very low47.8Very low143 Ų143160.3 Ų160.377%0.76582%0.816SS**  106.3131.2103.6-178.5-118.3000115.1
299S51.5Low48.5Very low78 Ų78153.2 Ų153.255%0.54581%0.806SS.*  trans66.3132.5146.4-79.40000125.1
300Q55.9Low48.4Very low175 Ų175156.3 Ų156.382%0.81881%0.806SS**  trans75.2137.6137.8-72.4-174.8-2.200116.8
301R51.6Low48.1Very low302 Ų302159.8 Ų159.8100%1.1481%0.809SS**  cis-162.506.8-155.3170.1178.4-101.93.6107.5

Retrieved 301 of 301 residues in 179.7 ms (Link to these results)

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