Z4YN47_MOUSE Loading...

SKI/DACH domain containing 1

AlphaFold DB , UniProt , Accession Z4YN47, Species MOUSE (Mus musculus, Mouse), Gene Skida1, Length 208 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
1M48.8Very low77.4Confident233 Ų23392 Ų92100%1.14849%0.49SS*.  0116.10-77.9170.517400107D3M1-D3 PolarHBondContact O-N 3.14Å
2G55.5Low77.2Confident59 Ų5991.8 Ų91.861%0.60849%0.489SS*.  trans-82.9105.3-171.900000111.7L4 K66G2-L4 VanDerWaalsContact C-N 3.26Å; G2-L4 PolarHBondContact O-N 3.12Å; G2-K66 PolarHBondContact O-NZ 3.4Å
3D64.9Low77.6Confident143 Ų14389.9 Ų89.977%0.76551%0.505SS*.  trans-70.884.1171.4-63.9-53.5000110.2M1 K5M1-D3 PolarHBondContact O-N 3.14Å; D3-K5 PolarHBondContact O-N 3.01Å
4L73.4Confident78.2Confident51 Ų5186.6 Ų86.627%0.26749%0.488SS..  trans-53.1109.9162.7-61162.6000108.1G2 L19 I20 I21 E63 K66G2-L4 VanDerWaalsContact C-N 3.26Å; G2-L4 PolarHBondContact O-N 3.12Å; L4-L19 HydrophobicContact CB-CD1 3.9Å; L4-L19 HydrophobicContact CB-CD2 4.4Å; L4-L19 HydrophobicContact CB-CG 4.19Å; L4-L19 HydrophobicContact CD1-CD2 4.26Å; L4-I20 WeakPolarHBondContact CD2-O 3.36Å; L4-I21 HydrophobicContact CD2-CG1 4.29Å; L4-E63 HydrophobicContact CD1-CG 3.96Å; L4-K66 HydrophobicContact CB-CD 3.89Å; L4-K66 HydrophobicContact CD1-CD 4.13Å; L4-K66 VanDerWaalsContact N-NZ 3.1Å
5K84.3Confident79Confident160 Ų16091.1 Ų91.170%0.69649%0.494SS*.  trans-67136.8179.9-73.1-177.9178.6179.10109.8D3 I20D3-K5 PolarHBondContact O-N 3.01Å; K5-I20 HydrophobicContact CB-CB 4.4Å; K5-I20 HydrophobicContact CB-CD1 4.07Å; K5-I20 HydrophobicContact CB-CG1 4.39Å; K5-I20 PolarHBondContact O-N 3.41Å
6S86.6Confident79.5Confident58 Ų5885.4 Ų85.441%0.40646%0.464SS..EExtended strand (participates in β ladder)trans-133.3149.8-178.861.30000112.3Y18 I70S6-Y18 WeakPolarHBondContact CA-O 3.38Å; S6-I70 WeakPolarHBondContact OG-CD1 3.48Å
7G88.4Confident80.1Confident15 Ų1580.4 Ų80.416%0.15544%0.436CS..EExtended strand (participates in β ladder)trans-165.1-167.1-179.300000112.5G17 Y18G7-G17 WeakPolarHBondContact O-CA 3.47Å; G7-Y18 VanDerWaalsContact C-CE1 3.48Å; G7-Y18 PolarHBondContact N-O 3.01Å; G7-Y18 WeakPolarHBondContact O-CD1 3.48Å; G7-Y18 PolarHBondContact O-N 3.35Å
8F88.9Confident80.7Confident101 Ų10178.4 Ų78.444%0.44342%0.422SS..EExtended strand (participates in β ladder)trans-119.3135.3173.6-63.3-86000109.1L16 Y18 I70F8-L16 WeakPolarHBondContact CA-O 3.5Å; F8-Y18 VanDerWaalsContact C-CE1 3.47Å; F8-I70 HydrophobicContact CD1-CG2 4.44Å; F8-I70 HydrophobicContact CD2-CG2 4.37Å; F8-I70 HydrophobicContact CE1-CG2 3.71Å; F8-I70 HydrophobicContact CE2-CG2 3.63Å; F8-I70 HydrophobicContact CZ-CG2 3.26Å; F8-I70 WeakPolarHBondContact CZ-O 3.01Å
9E89.3Confident81.2Confident56 Ų5674.3 Ų74.326%0.26240%0.4SS..EExtended strand (participates in β ladder)trans-126.4140.6176.6-179.780.1-171.900107.9V11 L16 Y18 F27 R85E9-V11 HydrophobicContact CG-CG2 4.14Å; E9-L16 PolarHBondContact N-O 3.46Å; E9-L16 PolarHBondContact O-N 3.24Å; E9-L16 VanDerWaalsContact O-O 3.11Å; E9-Y18 HydrophobicContact CB-CD1 3.53Å; E9-Y18 HydrophobicContact CB-CE1 3.8Å; E9-F27 HydrophobicContact CB-CE1 4.13Å; E9-F27 HydrophobicContact CB-CZ 4.2Å; E9-F27 HydrophobicContact CG-CZ 4.29Å; E9-R85 IonicContact OE1-CZ 3.67Å; E9-R85 IonicContact OE1-NH1 2.91Å; E9-R85 PolarHBondContact OE1-NH1 2.84Å; E9-R85 IonicContact OE1-NH2 3.71Å
10E87.9Confident81.6Confident130 Ų13073.2 Ų73.261%0.60739%0.393SS*.EExtended strand (participates in β ladder)trans-86.5118.2171.9-74.9-172.9153.600110.7V14 R15E10-V14 WeakPolarHBondContact CA-O 3.42Å; E10-R15 HydrophobicContact CG-CG 3.7Å
11V83Confident81.8Confident6 Ų670.4 Ų70.44%0.03638%0.378CS..EExtended strand (participates in β ladder)trans-122.6125.2174.6-175.30000107.8E9 G13 V14 L16 F27 V88E9-V11 HydrophobicContact CG-CG2 4.14Å; V11-G13 PolarHBondContact O-N 3.28Å; V11-G13 VanDerWaalsContact O-N 3.12Å; V11-V14 PolarHBondContact N-O 3.12Å; V11-V14 PolarHBondContact O-N 3.02Å; V11-L16 HydrophobicContact CB-CD1 3.93Å; V11-L16 HydrophobicContact CG2-CD1 4.22Å; V11-F27 HydrophobicContact CG2-CE1 4.1Å; V11-F27 HydrophobicContact CG2-CZ 3.91Å; V11-V88 HydrophobicContact CG1-CG1 4.38Å
12D75.6Confident83.5Confident89 Ų8968.6 Ų68.648%0.47636%0.364SS..THydrogen-bonded Turntrans52.931.2-177.6-73.8-57.4000114.1L36D12-L36 HydrophobicContact CB-CD2 3.63Å
13G81.8Confident84.9Confident68 Ų6869.1 Ų69.170%0.70137%0.369SS*.THydrogen-bonded Turntrans80.113.3179.700000114.8V11V11-G13 PolarHBondContact O-N 3.28Å; V11-G13 VanDerWaalsContact O-N 3.12Å
14V86.4Confident86Confident44 Ų4468.4 Ų68.427%0.26736%0.359SS..EExtended strand (participates in β ladder)trans-118137.5172.4-170.30000110.7E10 V11 L16 D35 L36E10-V14 WeakPolarHBondContact CA-O 3.42Å; V11-V14 PolarHBondContact N-O 3.12Å; V11-V14 PolarHBondContact O-N 3.02Å; V14-L16 PolarHBondContact O-N 2.91Å; V14-D35 HydrophobicContact CB-CB 4.47Å; V14-D35 HydrophobicContact CG1-CB 3.82Å; V14-L36 HydrophobicContact CG2-CD2 3.97Å
15R89.4Confident86.8Confident153 Ų15368.7 Ų68.758%0.57736%0.359SS*.EExtended strand (participates in β ladder)trans-75.799.4175.2-68.8-178.862.3-160.8-3.6110.4E10 Q31E10-R15 HydrophobicContact CG-CG 3.7Å; R15-Q31 PolarHBondContact O-NE2 2.83Å
16L88.1Confident87.1Confident1 Ų161.6 Ų61.61%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-97.4136.5175.2-63.4177.9000110.2F8 E9 V11 V14 F27 Q31 V32 D35 L36F8-L16 WeakPolarHBondContact CA-O 3.5Å; E9-L16 PolarHBondContact N-O 3.46Å; E9-L16 PolarHBondContact O-N 3.24Å; E9-L16 VanDerWaalsContact O-O 3.11Å; V11-L16 HydrophobicContact CB-CD1 3.93Å; V11-L16 HydrophobicContact CG2-CD1 4.22Å; V14-L16 PolarHBondContact O-N 2.91Å; L16-F27 HydrophobicContact CB-CD1 3.76Å; L16-F27 HydrophobicContact CB-CE1 3.92Å; L16-F27 HydrophobicContact CD1-CD1 4.25Å; L16-Q31 HydrophobicContact CD2-CB 4.46Å; L16-Q31 HydrophobicContact CD2-CG 3.75Å; L16-V32 HydrophobicContact CD1-CG2 3.99Å; L16-D35 HydrophobicContact CD2-CB 4.22Å; L16-D35 WeakPolarHBondContact CD2-OD2 3.37Å; L16-L36 HydrophobicContact CD1-CD1 4.3Å
17G89.9Confident87.3Confident0 Ų059 Ų590%031%0.309CS..EExtended strand (participates in β ladder)trans-78.2139170.900000110.9G7 S72G7-G17 WeakPolarHBondContact O-CA 3.47Å; G17-S72 WeakPolarHBondContact CA-OG 3.39Å
18Y90.1Very high87.3Confident45 Ų4558.2 Ų58.218%0.17630%0.302CS..EExtended strand (participates in β ladder)trans-126.6154178.271.7-91.1000111.7S6 G7 F8 E9 I20 Q25 M26S6-Y18 WeakPolarHBondContact CA-O 3.38Å; G7-Y18 VanDerWaalsContact C-CE1 3.48Å; G7-Y18 PolarHBondContact N-O 3.01Å; G7-Y18 WeakPolarHBondContact O-CD1 3.48Å; G7-Y18 PolarHBondContact O-N 3.35Å; F8-Y18 VanDerWaalsContact C-CE1 3.47Å; E9-Y18 HydrophobicContact CB-CD1 3.53Å; E9-Y18 HydrophobicContact CB-CE1 3.8Å; Y18-I20 HydrophobicContact CD2-CG1 4.1Å; Y18-I20 HydrophobicContact CE2-CD1 4.16Å; Y18-I20 HydrophobicContact CE2-CG1 3.91Å; Y18-Q25 HydrophobicContact CD2-CG 4.11Å; Y18-Q25 HydrophobicContact CE2-CG 4.43Å; Y18-M26 WeakPolarHBondContact CA-O 3.33Å
19L89.8Confident87.3Confident0 Ų053.6 Ų53.60%028%0.282CS..EExtended strand (participates in β ladder)trans-123.3139.5171.5-167.272000108.7L4 I21 M26 E63 K66 L67L4-L19 HydrophobicContact CB-CD1 3.9Å; L4-L19 HydrophobicContact CB-CD2 4.4Å; L4-L19 HydrophobicContact CB-CG 4.19Å; L4-L19 HydrophobicContact CD1-CD2 4.26Å; L19-I21 HydrophobicContact CD2-CD1 3.96Å; L19-I21 HydrophobicContact CD2-CG1 3.87Å; L19-I21 HydrophobicContact CG-CG1 4.21Å; L19-M26 PolarHBondContact N-O 2.97Å; L19-M26 PolarHBondContact O-N 3.31Å; L19-E63 HydrophobicContact CD2-CB 3.93Å; L19-E63 HydrophobicContact CD2-CG 4.04Å; L19-K66 HydrophobicContact CD1-CB 4.22Å; L19-K66 HydrophobicContact CD1-CD 4.39Å; L19-L67 HydrophobicContact CB-CD2 4.37Å
20I89.1Confident87.1Confident51 Ų5152.5 Ų52.526%0.26228%0.28SS..EExtended strand (participates in β ladder)trans-91.9105.9174.2-56.1-178.4000108.4L4 K5 Y18 K24L4-I20 WeakPolarHBondContact CD2-O 3.36Å; K5-I20 HydrophobicContact CB-CB 4.4Å; K5-I20 HydrophobicContact CB-CD1 4.07Å; K5-I20 HydrophobicContact CB-CG1 4.39Å; K5-I20 PolarHBondContact O-N 3.41Å; Y18-I20 HydrophobicContact CD2-CG1 4.1Å; Y18-I20 HydrophobicContact CE2-CD1 4.16Å; Y18-I20 HydrophobicContact CE2-CG1 3.91Å; I20-K24 WeakPolarHBondContact CA-O 3.37Å
21I87.1Confident87.1Confident16 Ų1647.6 Ų47.68%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-110.1125.1173.8-62.4156.7000107.8L4 L19 G23 K24 M26 E63 L82L4-I21 HydrophobicContact CD2-CG1 4.29Å; L19-I21 HydrophobicContact CD2-CD1 3.96Å; L19-I21 HydrophobicContact CD2-CG1 3.87Å; L19-I21 HydrophobicContact CG-CG1 4.21Å; I21-G23 PolarHBondContact O-N 3.1Å; I21-G23 VanDerWaalsContact O-N 3.14Å; I21-K24 PolarHBondContact N-O 3.45Å; I21-K24 PolarHBondContact O-N 3.13Å; I21-M26 HydrophobicContact CB-CG 4.24Å; I21-M26 HydrophobicContact CD1-CB 4.15Å; I21-M26 HydrophobicContact CD1-CG 4.04Å; I21-E63 VanDerWaalsContact CD1-CD 3.45Å; I21-E63 HydrophobicContact CD1-CG 4.21Å; I21-E63 WeakPolarHBondContact CD1-OE1 3.44Å; I21-E63 WeakPolarHBondContact CG1-OE1 3.4Å; I21-L82 HydrophobicContact CD1-CD1 3.2Å
22K83.6Confident87.3Confident195 Ų19547.5 Ų47.585%0.84826%0.257SS*.THydrogen-bonded Turntrans52.935.5179.6-59.4174.2-179.1-179.60113K24K22-K24 VanDerWaalsContact C-N 3.29Å; K22-K24 PolarHBondContact O-N 3.24Å
23G85.2Confident87.7Confident69 Ų6944 Ų4471%0.71124%0.238SC*.THydrogen-bonded Turntrans77.54.9-179.400000115.4I21I21-G23 PolarHBondContact O-N 3.1Å; I21-G23 VanDerWaalsContact O-N 3.14Å
24K88.3Confident87.8Confident129 Ų12945.2 Ų45.256%0.56123%0.231SC*.EExtended strand (participates in β ladder)trans-109.7138178-63.8-169.1177.3-166.20111.3I20 I21 K22 M26I20-K24 WeakPolarHBondContact CA-O 3.37Å; I21-K24 PolarHBondContact N-O 3.45Å; I21-K24 PolarHBondContact O-N 3.13Å; K22-K24 VanDerWaalsContact C-N 3.29Å; K22-K24 PolarHBondContact O-N 3.24Å; K24-M26 HydrophobicContact CB-CE 4.4Å; K24-M26 PolarHBondContact O-N 3.42Å
25Q89.9Confident87.8Confident57 Ų5745.6 Ų45.627%0.26623%0.232SC..EExtended strand (participates in β ladder)trans-70.5120.3171.3-71.1-177-33.200109.6Y18 F27Y18-Q25 HydrophobicContact CD2-CG 4.11Å; Y18-Q25 HydrophobicContact CE2-CG 4.43Å; Q25-F27 HydrophobicContact CB-CE2 4.39Å
26M90.1Very high87.3Confident11 Ų1139.8 Ų39.85%0.05421%0.212CC..EExtended strand (participates in β ladder)trans-118.4132179.1-67.3-66.7-166.100109.3Y18 L19 I21 K24 L82 I83Y18-M26 WeakPolarHBondContact CA-O 3.33Å; L19-M26 PolarHBondContact N-O 2.97Å; L19-M26 PolarHBondContact O-N 3.31Å; I21-M26 HydrophobicContact CB-CG 4.24Å; I21-M26 HydrophobicContact CD1-CB 4.15Å; I21-M26 HydrophobicContact CD1-CG 4.04Å; K24-M26 HydrophobicContact CB-CE 4.4Å; K24-M26 PolarHBondContact O-N 3.42Å; M26-L82 HydrophobicContact CB-CB 4.16Å; M26-L82 HydrophobicContact CB-CD1 4.3Å; M26-L82 HydrophobicContact CB-CD2 4.46Å; M26-I83 WeakPolarHBondContact CA-O 3.48Å
27F90.6Very high86.8Confident2 Ų240.2 Ų40.21%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-107.8148.1179.1-65.1-83.2000110.8E9 V11 L16 Q25 L29 V32 L82 I83 R85 V88E9-F27 HydrophobicContact CB-CE1 4.13Å; E9-F27 HydrophobicContact CB-CZ 4.2Å; E9-F27 HydrophobicContact CG-CZ 4.29Å; V11-F27 HydrophobicContact CG2-CE1 4.1Å; V11-F27 HydrophobicContact CG2-CZ 3.91Å; L16-F27 HydrophobicContact CB-CD1 3.76Å; L16-F27 HydrophobicContact CB-CE1 3.92Å; L16-F27 HydrophobicContact CD1-CD1 4.25Å; Q25-F27 HydrophobicContact CB-CE2 4.39Å; F27-L29 PolarHBondContact O-N 3.31Å; F27-V32 HydrophobicContact CB-CG2 4.14Å; F27-L82 WeakPolarHBondContact O-CA 3.35Å; F27-L82 WeakPolarHBondContact O-CD2 3.49Å; F27-I83 HydrophobicContact CB-CG2 4.2Å; F27-I83 PolarHBondContact N-O 3.18Å; F27-I83 WeakPolarHBondContact O-CG2 3.12Å; F27-I83 PolarHBondContact O-N 3.47Å; F27-R85 HydrophobicContact CE2-CB 3.84Å; F27-R85 HydrophobicContact CE2-CG 4.12Å; F27-V88 HydrophobicContact CD2-CG2 4.48Å
28A90.1Very high86.3Confident0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-72.9117.4173.500000110.2S30 Q31 V32 I73A28-S30 PolarHBondContact O-N 2.85Å; A28-Q31 HydrophobicContact CB-CB 4.23Å; A28-Q31 PolarHBondContact O-N 2.89Å; A28-V32 WeakPolarHBondContact O-CG2 3.37Å; A28-V32 PolarHBondContact O-N 3.01Å; A28-V32 VanDerWaalsContact O-N 3.14Å; A28-I73 HydrophobicContact CB-CD1 3.8Å; A28-I73 HydrophobicContact CB-CG1 3.67Å
29L88.3Confident85.5Confident4 Ų451.3 Ų51.32%0.02127%0.269CS..Hα-helixtrans-58.8-40.1-178.5-174.167.2000111.3F27 Q31 V32 F33 M49 T81 I83F27-L29 PolarHBondContact O-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.85Å; L29-V32 PolarHBondContact O-N 2.91Å; L29-F33 HydrophobicContact CD1-CD2 4.21Å; L29-F33 HydrophobicContact CD1-CE2 3.84Å; L29-F33 HydrophobicContact CD1-CZ 4.5Å; L29-F33 HydrophobicContact CD2-CD2 4.29Å; L29-F33 HydrophobicContact CD2-CE2 3.51Å; L29-F33 HydrophobicContact CD2-CZ 4.34Å; L29-F33 HydrophobicContact CG-CD2 3.65Å; L29-F33 HydrophobicContact CG-CE2 3.31Å; L29-F33 HydrophobicContact CG-CZ 4.33Å; L29-F33 WeakPolarHBondContact O-CB 3.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 PolarHBondContact O-N 2.97Å; L29-M49 HydrophobicContact CD2-CE 4.36Å; L29-M49 HydrophobicContact CD2-SD 3.94Å; L29-T81 WeakPolarHBondContact CB-O 3.5Å; L29-T81 WeakPolarHBondContact CB-OG1 3.14Å; L29-T81 WeakPolarHBondContact CD2-OG1 3.18Å; L29-T81 PolarHBondContact N-O 3.26Å; L29-I83 HydrophobicContact CB-CG2 4.42Å; L29-I83 HydrophobicContact CD1-CB 4.41Å; L29-I83 HydrophobicContact CD1-CD1 3.94Å; L29-I83 HydrophobicContact CD1-CG2 4.1Å
30S85.3Confident84.9Confident32 Ų3252.6 Ų52.622%0.22428%0.276CS..Hα-helixtrans-58.1-33.9177.7-65.40000113.5A28 F33 T34A28-S30 PolarHBondContact O-N 2.85Å; S30-F33 WeakPolarHBondContact O-CB 3.36Å; S30-T34 PolarHBondContact O-N 3.4Å; S30-T34 PolarHBondContact O-OG1 3.5Å
31Q88.1Confident84.4Confident28 Ų2854 Ų5413%0.13129%0.288CS..Hα-helixtrans-77-46177.7-169.4-180-2.500111.1R15 L16 A28 L29 F33 T34 D35 S72R15-Q31 PolarHBondContact O-NE2 2.83Å; L16-Q31 HydrophobicContact CD2-CB 4.46Å; L16-Q31 HydrophobicContact CD2-CG 3.75Å; A28-Q31 HydrophobicContact CB-CB 4.23Å; A28-Q31 PolarHBondContact O-N 2.89Å; L29-Q31 PolarHBondContact O-N 2.85Å; Q31-F33 PolarHBondContact O-N 2.95Å; Q31-F33 VanDerWaalsContact O-N 3.13Å; Q31-T34 PolarHBondContact O-N 3.03Å; Q31-T34 VanDerWaalsContact O-N 3.08Å; Q31-T34 PolarHBondContact O-OG1 3.44Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.47Å; Q31-D35 PolarHBondContact NE2-OD2 3.31Å; Q31-D35 WeakPolarHBondContact O-CB 3.33Å; Q31-D35 PolarHBondContact O-N 2.96Å; Q31-S72 PolarHBondContact OE1-O 2.98Å
32V87.3Confident84.1Confident4 Ų459.7 Ų59.72%0.02431%0.308CS..Hα-helixtrans-53-38174172.90000111.1L16 F27 A28 L29 L36 L37 V88L16-V32 HydrophobicContact CD1-CG2 3.99Å; F27-V32 HydrophobicContact CB-CG2 4.14Å; A28-V32 WeakPolarHBondContact O-CG2 3.37Å; A28-V32 PolarHBondContact O-N 3.01Å; A28-V32 VanDerWaalsContact O-N 3.14Å; L29-V32 PolarHBondContact O-N 2.91Å; V32-L36 HydrophobicContact CG1-CD1 4.31Å; V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 PolarHBondContact O-N 3.42Å; V32-L37 PolarHBondContact O-N 3.19Å; V32-V88 HydrophobicContact CG1-CG1 4.03Å; V32-V88 HydrophobicContact CG1-CG2 4.35Å; V32-V88 HydrophobicContact CG2-CG2 4.04Å
33F83.7Confident84.1Confident16 Ų1655 Ų557%0.0730%0.296CS..Hα-helixtrans-63.4-49.3176-88.7-65.2000114.2L29 S30 Q31 D35 L37 K38 R42 V45L29-F33 HydrophobicContact CD1-CD2 4.21Å; L29-F33 HydrophobicContact CD1-CE2 3.84Å; L29-F33 HydrophobicContact CD1-CZ 4.5Å; L29-F33 HydrophobicContact CD2-CD2 4.29Å; L29-F33 HydrophobicContact CD2-CE2 3.51Å; L29-F33 HydrophobicContact CD2-CZ 4.34Å; L29-F33 HydrophobicContact CG-CD2 3.65Å; L29-F33 HydrophobicContact CG-CE2 3.31Å; L29-F33 HydrophobicContact CG-CZ 4.33Å; L29-F33 WeakPolarHBondContact O-CB 3.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 PolarHBondContact O-N 2.97Å; S30-F33 WeakPolarHBondContact O-CB 3.36Å; Q31-F33 PolarHBondContact O-N 2.95Å; Q31-F33 VanDerWaalsContact O-N 3.13Å; F33-D35 VanDerWaalsContact C-N 3.32Å; F33-L37 HydrophobicContact CD1-CD1 4.43Å; F33-L37 CarbonylContact O-C 3.21Å; F33-L37 PolarHBondContact O-N 3.1Å; F33-K38 PolarHBondContact O-N 3.39Å; F33-R42 HydrophobicContact CE1-CG 4.28Å; F33-R42 HydrophobicContact CZ-CG 4.36Å; F33-V45 HydrophobicContact CD1-CB 4.39Å; F33-V45 HydrophobicContact CD1-CG1 4.39Å; F33-V45 HydrophobicContact CD1-CG2 4.19Å; F33-V45 HydrophobicContact CE1-CB 3.22Å; F33-V45 HydrophobicContact CE1-CG1 3.32Å; F33-V45 HydrophobicContact CE1-CG2 3.39Å; F33-V45 HydrophobicContact CE2-CG1 4.37Å; F33-V45 HydrophobicContact CZ-CB 3.49Å; F33-V45 VanDerWaalsContact CZ-CB 3.49Å; F33-V45 HydrophobicContact CZ-CG1 3.25Å; F33-V45 HydrophobicContact CZ-CG2 4.18Å
34T83.8Confident84.1Confident92 Ų9253.6 Ų53.656%0.56427%0.274SS*.Hα-helixtrans-71.7-31.4-176.950.60000111.9S30 Q31 K38S30-T34 PolarHBondContact O-N 3.4Å; S30-T34 PolarHBondContact O-OG1 3.5Å; Q31-T34 PolarHBondContact O-N 3.03Å; Q31-T34 VanDerWaalsContact O-N 3.08Å; Q31-T34 PolarHBondContact O-OG1 3.44Å; T34-K38 WeakPolarHBondContact O-CB 3.39Å
35D85.6Confident83.8Confident53 Ų5347.5 Ų47.528%0.28325%0.247SC..Hα-helixtrans-91-57.5-171.2-69.7-5.8000111.7V14 L16 Q31 F33V14-D35 HydrophobicContact CB-CB 4.47Å; V14-D35 HydrophobicContact CG1-CB 3.82Å; L16-D35 HydrophobicContact CD2-CB 4.22Å; L16-D35 WeakPolarHBondContact CD2-OD2 3.37Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.47Å; Q31-D35 PolarHBondContact NE2-OD2 3.31Å; Q31-D35 WeakPolarHBondContact O-CB 3.33Å; Q31-D35 PolarHBondContact O-N 2.96Å; F33-D35 VanDerWaalsContact C-N 3.32Å
36L79Confident83.5Confident30 Ų3048.6 Ų48.616%0.15725%0.252CS..THydrogen-bonded Turntrans-88.1-32.5-173.7-63.9176.5000112.8D12 V14 L16 V32 V88D12-L36 HydrophobicContact CB-CD2 3.63Å; V14-L36 HydrophobicContact CG2-CD2 3.97Å; L16-L36 HydrophobicContact CD1-CD1 4.3Å; V32-L36 HydrophobicContact CG1-CD1 4.31Å; V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 PolarHBondContact O-N 3.42Å; L36-V88 HydrophobicContact CD1-CG1 4Å
37L77.8Confident83.3Confident10 Ų1054.6 Ų54.65%0.05228%0.278CS..  trans-114.724.2-170.2-55.4177.1000113.9V32 F33 N39 I40 V45 C95V32-L37 PolarHBondContact O-N 3.19Å; F33-L37 HydrophobicContact CD1-CD1 4.43Å; F33-L37 CarbonylContact O-C 3.21Å; F33-L37 PolarHBondContact O-N 3.1Å; L37-N39 PolarHBondContact O-N 3.05Å; L37-I40 HydrophobicContact CD2-CD1 4.04Å; L37-I40 PolarHBondContact O-N 3.08Å; L37-V45 HydrophobicContact CD1-CG1 4.35Å; L37-V45 HydrophobicContact CD1-CG2 3.87Å; L37-C95 HydrophobicContact CD2-CB 4.06Å
38K79.5Confident82.9Confident161 Ų16157.4 Ų57.470%0.729%0.289SS*.THydrogen-bonded Turntrans-51-25.3-179.364.5-171.6178-169.50115.7F33 T34F33-K38 PolarHBondContact O-N 3.39Å; T34-K38 WeakPolarHBondContact O-CB 3.39Å
39N72.4Confident82.5Confident117 Ų11758.4 Ų58.463%0.62629%0.293SS*.THydrogen-bonded Turntrans-94.2-3.8-179-64.4-60000114.3L37 R99L37-N39 PolarHBondContact O-N 3.05Å; N39-R99 PolarHBondContact O-NH2 3.36Å
40I77.4Confident82.3Confident28 Ų2863.2 Ų63.214%0.14432%0.319CS..SBendtrans-112.2129.5-172.5-63.2177.1000109.3L37 R42 T44 V45 C95L37-I40 HydrophobicContact CD2-CD1 4.04Å; L37-I40 PolarHBondContact O-N 3.08Å; I40-R42 PolarHBondContact O-N 3.04Å; I40-T44 HydrophobicContact CG2-CG2 4.27Å; I40-V45 HydrophobicContact CG2-CG2 4.07Å; I40-C95 HydrophobicContact CD1-CB 3.45Å; I40-C95 VanDerWaalsContact CD1-CB 3.45Å
41P79.4Confident82Confident79 Ų7968.1 Ų68.151%0.51334%0.338SS..  trans-63.7135.7-178.425.3-32.9000110.5T43 T44P41-T43 PolarHBondContact O-N 3.36Å; P41-T44 WeakPolarHBondContact O-CB 3.48Å; P41-T44 PolarHBondContact O-N 3.37Å
42R80.9Confident81.6Confident137 Ų13770.2 Ų70.252%0.51735%0.35SS..Hα-helixtrans-51.6-33.9-177.6-170.4168.2-178.81210.1112.6F33 I40 T44 V45 H46F33-R42 HydrophobicContact CE1-CG 4.28Å; F33-R42 HydrophobicContact CZ-CG 4.36Å; I40-R42 PolarHBondContact O-N 3.04Å; R42-T44 VanDerWaalsContact C-N 3.32Å; R42-T44 PolarHBondContact O-N 3.29Å; R42-V45 PolarHBondContact O-N 3.38Å; R42-H46 PolarHBondContact O-N 3.46Å; R42-H46 PolarHBondContact O-ND1 3.04Å
43T83.9Confident81.2Confident97 Ų9778.9 Ų78.960%0.59539%0.387SS*.Hα-helixtrans-60.7-35.7176.356.80000113.5P41 K47P41-T43 PolarHBondContact O-N 3.36Å; T43-K47 PolarHBondContact O-N 3.25Å
44T85.3Confident80.9Confident38 Ų3878.9 Ų78.923%0.23339%0.389CS..Hα-helixtrans-69.5-40.5179.1-62.30000110.6I40 P41 R42 H46 K47 R48I40-T44 HydrophobicContact CG2-CG2 4.27Å; P41-T44 WeakPolarHBondContact O-CB 3.48Å; P41-T44 PolarHBondContact O-N 3.37Å; R42-T44 VanDerWaalsContact C-N 3.32Å; R42-T44 PolarHBondContact O-N 3.29Å; T44-H46 VanDerWaalsContact C-N 3.34Å; T44-H46 PolarHBondContact O-N 2.9Å; T44-K47 PolarHBondContact O-N 2.98Å; T44-R48 HydrophobicContact CG2-CG 4.15Å; T44-R48 WeakPolarHBondContact O-CG 3.48Å; T44-R48 PolarHBondContact O-N 3.28Å
45V81.7Confident80.6Confident1 Ų182.2 Ų82.21%0.00640%0.395CS..Hα-helixtrans-68.4-35.4-179.7-176.80000111.7F33 L37 I40 R42 K47 R48 M49 L91F33-V45 HydrophobicContact CD1-CB 4.39Å; F33-V45 HydrophobicContact CD1-CG1 4.39Å; F33-V45 HydrophobicContact CD1-CG2 4.19Å; F33-V45 HydrophobicContact CE1-CB 3.22Å; F33-V45 HydrophobicContact CE1-CG1 3.32Å; F33-V45 HydrophobicContact CE1-CG2 3.39Å; F33-V45 HydrophobicContact CE2-CG1 4.37Å; F33-V45 HydrophobicContact CZ-CB 3.49Å; F33-V45 VanDerWaalsContact CZ-CB 3.49Å; F33-V45 HydrophobicContact CZ-CG1 3.25Å; F33-V45 HydrophobicContact CZ-CG2 4.18Å; L37-V45 HydrophobicContact CD1-CG1 4.35Å; L37-V45 HydrophobicContact CD1-CG2 3.87Å; I40-V45 HydrophobicContact CG2-CG2 4.07Å; R42-V45 PolarHBondContact O-N 3.38Å; V45-K47 PolarHBondContact O-N 3.14Å; V45-R48 PolarHBondContact O-N 3.08Å; V45-M49 VanDerWaalsContact O-CB 3.31Å; V45-M49 WeakPolarHBondContact O-CB 3.27Å; V45-M49 PolarHBondContact O-N 3.13Å; V45-L91 HydrophobicContact CG1-CD1 4.42Å; V45-L91 HydrophobicContact CG1-CD2 4.3Å
46H82.4Confident80.4Confident80 Ų8085.8 Ų85.837%0.3741%0.408SS..Hα-helixtrans-58.8-50.1173.3-7367.2000110.6R42 T44 R48 M49 D50R42-H46 PolarHBondContact O-N 3.46Å; R42-H46 PolarHBondContact O-ND1 3.04Å; T44-H46 VanDerWaalsContact C-N 3.34Å; T44-H46 PolarHBondContact O-N 2.9Å; H46-R48 VanDerWaalsContact C-N 3.29Å; H46-R48 PolarHBondContact O-N 2.9Å; H46-M49 WeakPolarHBondContact O-CB 3.21Å; H46-M49 PolarHBondContact O-N 3.31Å; H46-D50 PolarHBondContact O-N 3.11Å
47K86.7Confident80.6Confident138 Ų13888.2 Ų88.260%0.642%0.419SS*.Hα-helixtrans-58-40.3174.7-67.3-178.6179.5-174.20112.6T43 T44 V45 D50 H51T43-K47 PolarHBondContact O-N 3.25Å; T44-K47 PolarHBondContact O-N 2.98Å; V45-K47 PolarHBondContact O-N 3.14Å; K47-D50 PolarHBondContact O-N 2.8Å; K47-H51 PolarHBondContact O-CD2 3.4Å; K47-H51 VanDerWaalsContact O-CG 3.25Å; K47-H51 PolarHBondContact O-N 2.96Å
48R82.1Confident80.9Confident61 Ų6193.7 Ų93.723%0.2344%0.444CS..Hα-helixtrans-68.1-40.3179.6-67.6-72.3170.8-156.4-5.2111.8T44 V45 H46 D50 H51 L52 L91 E98T44-R48 HydrophobicContact CG2-CG 4.15Å; T44-R48 WeakPolarHBondContact O-CG 3.48Å; T44-R48 PolarHBondContact O-N 3.28Å; V45-R48 PolarHBondContact O-N 3.08Å; H46-R48 VanDerWaalsContact C-N 3.29Å; H46-R48 PolarHBondContact O-N 2.9Å; R48-D50 VanDerWaalsContact C-N 3.26Å; R48-D50 PolarHBondContact O-N 2.86Å; R48-H51 PolarHBondContact O-N 3.35Å; R48-L52 WeakPolarHBondContact O-CD1 3.32Å; R48-L52 PolarHBondContact O-N 2.9Å; R48-L91 HydrophobicContact CB-CD2 4.07Å; R48-E98 IonicContact CZ-OE2 3.43Å; R48-E98 IonicContact NE-OE2 3.46Å; R48-E98 PolarHBondContact NE-OE2 3.43Å; R48-E98 IonicContact NH2-OE1 3.85Å; R48-E98 IonicContact NH2-OE2 2.67Å; R48-E98 PolarHBondContact NH2-OE2 3.27Å
49M82.7Confident81.2Confident20 Ų2087.1 Ų87.110%0.09942%0.418CS..Hα-helixtrans-60.7-39.9175.7-160.3167.367.300110.7L29 V45 H46 K53 V54L29-M49 HydrophobicContact CD2-CE 4.36Å; L29-M49 HydrophobicContact CD2-SD 3.94Å; V45-M49 VanDerWaalsContact O-CB 3.31Å; V45-M49 WeakPolarHBondContact O-CB 3.27Å; V45-M49 PolarHBondContact O-N 3.13Å; H46-M49 WeakPolarHBondContact O-CB 3.21Å; H46-M49 PolarHBondContact O-N 3.31Å; M49-K53 PolarHBondContact O-N 3.31Å; M49-K53 VanDerWaalsContact O-N 3.09Å; M49-V54 HydrophobicContact CG-CB 3.62Å; M49-V54 HydrophobicContact CG-CG1 4.11Å; M49-V54 HydrophobicContact CG-CG2 4.07Å; M49-V54 PolarHBondContact O-N 3.46Å; M49-V54 VanDerWaalsContact O-N 3.15Å
50D83.1Confident81.9Confident106 Ų10686.5 Ų86.557%0.56741%0.414SS*.Hα-helixtrans-65.6-41.9173.9-61.8-35.4000112H46 K47 R48 L52 K53H46-D50 PolarHBondContact O-N 3.11Å; K47-D50 PolarHBondContact O-N 2.8Å; R48-D50 VanDerWaalsContact C-N 3.26Å; R48-D50 PolarHBondContact O-N 2.86Å; D50-L52 PolarHBondContact O-N 2.91Å; D50-K53 PolarHBondContact O-N 2.74Å
51H79.5Confident82.2Confident134 Ų13491.5 Ų91.562%0.6244%0.441SS*.Hα-helixtrans-66.8-36.8179.2-69.2-167.6000113.1K47 R48 K53K47-H51 PolarHBondContact O-CD2 3.4Å; K47-H51 VanDerWaalsContact O-CG 3.25Å; K47-H51 PolarHBondContact O-N 2.96Å; R48-H51 PolarHBondContact O-N 3.35Å; H51-K53 VanDerWaalsContact C-N 3.27Å
52L80.2Confident82.4Confident73 Ų7394.3 Ų94.338%0.38245%0.447SS..THydrogen-bonded Turntrans-82.8-3.2175.9-83.2123.9000112.7R48 D50 V54 A90 L91R48-L52 WeakPolarHBondContact O-CD1 3.32Å; R48-L52 PolarHBondContact O-N 2.9Å; D50-L52 PolarHBondContact O-N 2.91Å; L52-V54 HydrophobicContact CB-CG2 3.88Å; L52-V54 PolarHBondContact O-N 3.5Å; L52-A90 HydrophobicContact CD2-CB 3.87Å; L52-L91 HydrophobicContact CD1-CD2 4.36Å
53K77.2Confident82.6Confident185 Ų18588.5 Ų88.580%0.80443%0.426SS*.THydrogen-bonded Turntrans49.242-176.5-60.3-177.4-179.9-178.80112.6M49 D50 H51 K55M49-K53 PolarHBondContact O-N 3.31Å; M49-K53 VanDerWaalsContact O-N 3.09Å; D50-K53 PolarHBondContact O-N 2.74Å; H51-K53 VanDerWaalsContact C-N 3.27Å; K53-K55 PolarHBondContact O-N 3.4Å
54V78.7Confident82.6Confident17 Ų1784.6 Ų84.610%0.10340%0.401CS..  trans-64.4135.6179.8173.60000109.7M49 L52 K56 I83 D87M49-V54 HydrophobicContact CG-CB 3.62Å; M49-V54 HydrophobicContact CG-CG1 4.11Å; M49-V54 HydrophobicContact CG-CG2 4.07Å; M49-V54 PolarHBondContact O-N 3.46Å; M49-V54 VanDerWaalsContact O-N 3.15Å; L52-V54 HydrophobicContact CB-CG2 3.88Å; L52-V54 PolarHBondContact O-N 3.5Å; V54-K56 PolarHBondContact O-N 2.93Å; V54-I83 HydrophobicContact CG1-CD1 3.91Å; V54-I83 HydrophobicContact CG1-CG1 4.07Å; V54-D87 HydrophobicContact CG1-CB 3.88Å; V54-D87 HydrophobicContact CG2-CB 4.16Å
55K77.7Confident82.7Confident161 Ų16191.9 Ų91.970%0.742%0.424SS*.  trans-72.4100.6175.3-71.4-177.7179.8177.70109.5K53 H57K53-K55 PolarHBondContact O-N 3.4Å; K55-H57 PolarHBondContact O-N 3.49Å; K55-H57 VanDerWaalsContact O-N 3.09Å
56K81.8Confident82.9Confident128 Ų12894.1 Ų94.156%0.55743%0.434SS*.  trans-69.6101.7171.260.2-172.1-177.7-172.30109.6V54 H58V54-K56 PolarHBondContact O-N 2.93Å; K56-H58 PolarHBondContact O-N 3.49Å
57H82.9Confident83Confident81 Ų8190.3 Ų90.338%0.37542%0.416SS..EExtended strand (participates in β ladder)trans-81.3112.6168.6-76.9-78000107.9K55 T81 L82K55-H57 PolarHBondContact O-N 3.49Å; K55-H57 VanDerWaalsContact O-N 3.09Å; H57-T81 CarbonylContact O-C 3.55Å; H57-T81 WeakPolarHBondContact O-CA 3.42Å; H57-L82 HydrophobicContact CB-CB 4.12Å; H57-L82 PolarHBondContact N-O 3.25Å; H57-L82 PolarHBondContact O-N 3.05Å
58H83.9Confident83.1Confident126 Ų12685.7 Ų85.758%0.58340%0.396SS*.EExtended strand (participates in β ladder)trans-70.5130.2169.4-70.4-64.8000108.2K56K56-H58 PolarHBondContact O-N 3.49Å
59C84.6Confident83.2Confident22 Ų2286.6 Ų86.615%0.14942%0.417CS..PPolyproline II helixtrans-74.2129.1-176.5-165.90000109.7E63 L64 C80 L82C59-E63 WeakPolarHBondContact CA-OE2 3.48Å; C59-E63 WeakPolarHBondContact SG-CB 3.47Å; C59-L64 PolarHBondContact SG-N 2.91Å; C59-L64 VanDerWaalsContact SG-N 3.42Å; C59-C80 HydrophobicContact CB-CB 3.62Å; C59-C80 VanDerWaalsContact CB-O 3.28Å; C59-C80 WeakPolarHBondContact CB-O 3.34Å; C59-C80 PolarHBondContact N-O 2.94Å; C59-L82 HydrophobicContact CB-CD1 4.42Å; C59-L82 HydrophobicContact CB-CG 4.35Å
60D86.9Confident83.3Confident104 Ų10486.7 Ų86.756%0.55642%0.418SS*.PPolyproline II helixtrans-74.1160.7174.4-69.2-44.1000110.9E62 E63 L64D60-E62 PolarHBondContact O-N 3.45Å; D60-E63 HydrophobicContact CB-CG 4.19Å; D60-E63 PolarHBondContact N-OE2 2.87Å; D60-E63 PolarHBondContact O-N 3.39Å; D60-L64 WeakPolarHBondContact O-CB 3.48Å; D60-L64 PolarHBondContact O-N 3.2Å
61L83.9Confident83.2Confident133 Ų13387.5 Ų87.570%0.69642%0.422SS*.Hα-helixtrans-59.5-34.2-178.6-67.4174.3000112.8R65L61-R65 WeakPolarHBondContact O-CG 3.38Å; L61-R65 PolarHBondContact O-N 3.47Å
62E85Confident83.1Confident138 Ų13881.5 Ų81.565%0.64540%0.395SS*.Hα-helixtrans-69-43.8176.2-69.1-175.183.800112.2D60 L64 R65 K66D60-E62 PolarHBondContact O-N 3.45Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-R65 PolarHBondContact O-N 3.28Å; E62-K66 WeakPolarHBondContact O-CG 3.4Å; E62-K66 PolarHBondContact O-N 3.18Å; E62-K66 VanDerWaalsContact O-N 3.11Å
63E84.4Confident83.2Confident16 Ų1678.6 Ų78.68%0.07538%0.38CS..Hα-helixtrans-63.6-41.1175.4-61.9176.1160.100110.7L4 L19 I21 C59 D60 R65 K66 L67L4-E63 HydrophobicContact CD1-CG 3.96Å; L19-E63 HydrophobicContact CD2-CB 3.93Å; L19-E63 HydrophobicContact CD2-CG 4.04Å; I21-E63 VanDerWaalsContact CD1-CD 3.45Å; I21-E63 HydrophobicContact CD1-CG 4.21Å; I21-E63 WeakPolarHBondContact CD1-OE1 3.44Å; I21-E63 WeakPolarHBondContact CG1-OE1 3.4Å; C59-E63 WeakPolarHBondContact CA-OE2 3.48Å; C59-E63 WeakPolarHBondContact SG-CB 3.47Å; D60-E63 HydrophobicContact CB-CG 4.19Å; D60-E63 PolarHBondContact N-OE2 2.87Å; D60-E63 PolarHBondContact O-N 3.39Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.48Å; E63-K66 PolarHBondContact O-N 3.15Å; E63-L67 WeakPolarHBondContact O-CB 3.42Å; E63-L67 WeakPolarHBondContact O-CD1 3.23Å; E63-L67 WeakPolarHBondContact O-CG 3.33Å; E63-L67 PolarHBondContact O-N 3.34Å
64L84.3Confident83.2Confident14 Ų1473 Ų737%0.07337%0.369CS..Hα-helixtrans-63-41177.8-172.568.2000111.3C59 D60 E62 K68 I73 C80C59-L64 PolarHBondContact SG-N 2.91Å; C59-L64 VanDerWaalsContact SG-N 3.42Å; D60-L64 WeakPolarHBondContact O-CB 3.48Å; D60-L64 PolarHBondContact O-N 3.2Å; E62-L64 VanDerWaalsContact C-N 3.31Å; L64-K68 VanDerWaalsContact O-CG 3.28Å; L64-K68 WeakPolarHBondContact O-CG 3.32Å; L64-K68 PolarHBondContact O-N 3.24Å; L64-I73 HydrophobicContact CD1-CD1 4.39Å; L64-C80 HydrophobicContact CD1-CB 3.82Å
65R87.6Confident83.1Confident191 Ų19178.6 Ų78.672%0.72139%0.392SS*.Hα-helixtrans-62.8-43.6174.8-77.4176.4-178.2177.21.3111.8L61 E62 E63 K68 A69L61-R65 WeakPolarHBondContact O-CG 3.38Å; L61-R65 PolarHBondContact O-N 3.47Å; E62-R65 PolarHBondContact O-N 3.28Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.48Å; R65-K68 PolarHBondContact O-N 3.37Å; R65-A69 PolarHBondContact O-N 2.96Å; R65-A69 VanDerWaalsContact O-N 3.08Å
66K85.8Confident83Confident48 Ų4879.7 Ų79.721%0.20940%0.399CS..Hα-helixtrans-65.4-44177.8-69.4178.2-176.9-178.60111.9G2 L4 L19 E62 E63 K68 A69 I70G2-K66 PolarHBondContact O-NZ 3.4Å; L4-K66 HydrophobicContact CB-CD 3.89Å; L4-K66 HydrophobicContact CD1-CD 4.13Å; L4-K66 VanDerWaalsContact N-NZ 3.1Å; L19-K66 HydrophobicContact CD1-CB 4.22Å; L19-K66 HydrophobicContact CD1-CD 4.39Å; E62-K66 WeakPolarHBondContact O-CG 3.4Å; E62-K66 PolarHBondContact O-N 3.18Å; E62-K66 VanDerWaalsContact O-N 3.11Å; E63-K66 PolarHBondContact O-N 3.15Å; K66-K68 VanDerWaalsContact C-N 3.28Å; K66-K68 PolarHBondContact O-N 2.87Å; K66-A69 WeakPolarHBondContact O-CB 3.34Å; K66-A69 PolarHBondContact O-N 3.14Å; K66-I70 WeakPolarHBondContact O-CD1 3.5Å; K66-I70 WeakPolarHBondContact O-CG1 3.48Å; K66-I70 PolarHBondContact O-N 3.06Å
67L84.6Confident83Confident0 Ų074.6 Ų74.60%038%0.381CS..Hα-helixtrans-63.7-32.8177-74.1158.8000113.1L19 E63 I70 N71 S72 I73 L82L19-L67 HydrophobicContact CB-CD2 4.37Å; E63-L67 WeakPolarHBondContact O-CB 3.42Å; E63-L67 WeakPolarHBondContact O-CD1 3.23Å; E63-L67 WeakPolarHBondContact O-CG 3.33Å; E63-L67 PolarHBondContact O-N 3.34Å; L67-I70 PolarHBondContact O-N 3.36Å; L67-N71 PolarHBondContact O-N 3.27Å; L67-S72 PolarHBondContact O-N 2.77Å; L67-I73 HydrophobicContact CB-CD1 3.67Å; L67-I73 HydrophobicContact CB-CG1 4.14Å; L67-I73 HydrophobicContact CD1-CD1 3.78Å; L67-I73 HydrophobicContact CG-CD1 4.19Å; L67-L82 HydrophobicContact CD1-CD1 4.44Å; L67-L82 HydrophobicContact CD1-CD2 3.8Å
68K87.7Confident82.7Confident41 Ų4174.8 Ų74.818%0.17840%0.396CS..Hα-helixtrans-67-38.6170.9-74.4177.2-176.3-170.90112L64 R65 K66 I70 N71 F75 A77L64-K68 VanDerWaalsContact O-CG 3.28Å; L64-K68 WeakPolarHBondContact O-CG 3.32Å; L64-K68 PolarHBondContact O-N 3.24Å; R65-K68 PolarHBondContact O-N 3.37Å; K66-K68 VanDerWaalsContact C-N 3.28Å; K66-K68 PolarHBondContact O-N 2.87Å; K68-I70 PolarHBondContact O-N 3.4Å; K68-N71 PolarHBondContact O-N 3.07Å; K68-N71 VanDerWaalsContact O-N 3.1Å; K68-N71 PolarHBondContact O-OD1 2.94Å; K68-F75 VanDerWaalsContact CE-O 3.23Å; K68-F75 WeakPolarHBondContact CE-O 3.47Å; K68-F75 PolarHBondContact NZ-O 2.91Å; K68-A77 VanDerWaalsContact CE-O 3.32Å; K68-A77 WeakPolarHBondContact CE-O 3.28Å; K68-A77 PolarHBondContact NZ-O 3.04Å
69A85.9Confident82.5Confident81 Ų8178.1 Ų78.167%0.66941%0.409SS*.Hα-helixtrans-61.6-28177.300000113.1R65 K66R65-A69 PolarHBondContact O-N 2.96Å; R65-A69 VanDerWaalsContact O-N 3.08Å; K66-A69 WeakPolarHBondContact O-CB 3.34Å; K66-A69 PolarHBondContact O-N 3.14Å
70I83.3Confident82.6Confident21 Ų2177.4 Ų77.411%0.10840%0.404CS..THydrogen-bonded Turntrans-95.81.8-178.9-50141.6000111.4S6 F8 K66 L67 K68 S72S6-I70 WeakPolarHBondContact OG-CD1 3.48Å; F8-I70 HydrophobicContact CD1-CG2 4.44Å; F8-I70 HydrophobicContact CD2-CG2 4.37Å; F8-I70 HydrophobicContact CE1-CG2 3.71Å; F8-I70 HydrophobicContact CE2-CG2 3.63Å; F8-I70 HydrophobicContact CZ-CG2 3.26Å; F8-I70 WeakPolarHBondContact CZ-O 3.01Å; K66-I70 WeakPolarHBondContact O-CD1 3.5Å; K66-I70 WeakPolarHBondContact O-CG1 3.48Å; K66-I70 PolarHBondContact O-N 3.06Å; L67-I70 PolarHBondContact O-N 3.36Å; K68-I70 PolarHBondContact O-N 3.4Å; I70-S72 PolarHBondContact O-N 3.42Å; I70-S72 VanDerWaalsContact O-N 3.13Å
71N82.1Confident82.7Confident124 Ų12473.9 Ų73.966%0.66339%0.387SS*.THydrogen-bonded Turntrans55.823.9-175-58.3-47.9000114.3L67 K68 I73L67-N71 PolarHBondContact O-N 3.27Å; K68-N71 PolarHBondContact O-N 3.07Å; K68-N71 VanDerWaalsContact O-N 3.1Å; K68-N71 PolarHBondContact O-OD1 2.94Å; N71-I73 PolarHBondContact O-N 2.69Å
72S77.7Confident82.9Confident7 Ų767.7 Ų67.75%0.04935%0.354CS..SBendtrans-72.9-18.6173.7-50.10000112.2G17 Q31 L67 I70G17-S72 WeakPolarHBondContact CA-OG 3.39Å; Q31-S72 PolarHBondContact OE1-O 2.98Å; L67-S72 PolarHBondContact O-N 2.77Å; I70-S72 PolarHBondContact O-N 3.42Å; I70-S72 VanDerWaalsContact O-N 3.13Å
73I81.1Confident83.2Confident12 Ų1261.2 Ų61.26%0.06232%0.324CS..SBendtrans-137.3143.8-178.8-54.7176.9000108.8A28 L64 L67 N71 A77 C80A28-I73 HydrophobicContact CB-CD1 3.8Å; A28-I73 HydrophobicContact CB-CG1 3.67Å; L64-I73 HydrophobicContact CD1-CD1 4.39Å; L67-I73 HydrophobicContact CB-CD1 3.67Å; L67-I73 HydrophobicContact CB-CG1 4.14Å; L67-I73 HydrophobicContact CD1-CD1 3.78Å; L67-I73 HydrophobicContact CG-CD1 4.19Å; N71-I73 PolarHBondContact O-N 2.69Å; I73-A77 HydrophobicContact CG2-CB 3.34Å; I73-C80 HydrophobicContact CD1-CB 3.77Å; I73-C80 WeakPolarHBondContact CD1-SG 3.35Å
74A77.5Confident83.4Confident69 Ų6961.3 Ų61.357%0.5733%0.326SS*.  trans-56139.3173.600000112.1H76 A77A74-H76 PolarHBondContact O-N 2.91Å; A74-A77 WeakPolarHBondContact O-CB 3.25Å; A74-A77 PolarHBondContact O-N 3.39Å
75F75.7Confident83.6Confident134 Ų13464.7 Ų64.759%0.58834%0.338SS*.THydrogen-bonded Turntrans-54.6-30.8179.7-109.7-93.5000113.4K68K68-F75 VanDerWaalsContact CE-O 3.23Å; K68-F75 WeakPolarHBondContact CE-O 3.47Å; K68-F75 PolarHBondContact NZ-O 2.91Å
76H77.2Confident83.6Confident183 Ų18362.5 Ų62.585%0.84734%0.336SS*.THydrogen-bonded Turntrans-84.5-2.9-179.5-52.8-61.6000114.4A74 A78A74-H76 PolarHBondContact O-N 2.91Å; H76-A78 PolarHBondContact O-N 3.38Å
77A80.6Confident83.7Confident22 Ų2262 Ų6218%0.18234%0.336CS..  trans-69123.6178.100000110.4K68 I73 A74K68-A77 VanDerWaalsContact CE-O 3.32Å; K68-A77 WeakPolarHBondContact CE-O 3.28Å; K68-A77 PolarHBondContact NZ-O 3.04Å; I73-A77 HydrophobicContact CG2-CB 3.34Å; A74-A77 WeakPolarHBondContact O-CB 3.25Å; A74-A77 PolarHBondContact O-N 3.39Å
78A76.9Confident83.8Confident85 Ų8562.2 Ų62.270%0.70234%0.337SS*.  trans-100.5-16.7174.200000112.7H76H76-A78 PolarHBondContact O-N 3.38Å
79K80.9Confident83.7Confident195 Ų19564.6 Ų64.685%0.84835%0.349SS*.  trans-132.1119.1179.4-63.7-180-177.6175.80109.1
80C85.2Confident83.8Confident7 Ų762.3 Ų62.35%0.04733%0.33CS..  trans-122.9144.8171.5177.90000109.5C59 L64 I73C59-C80 HydrophobicContact CB-CB 3.62Å; C59-C80 VanDerWaalsContact CB-O 3.28Å; C59-C80 WeakPolarHBondContact CB-O 3.34Å; C59-C80 PolarHBondContact N-O 2.94Å; L64-C80 HydrophobicContact CD1-CB 3.82Å; I73-C80 HydrophobicContact CD1-CB 3.77Å; I73-C80 WeakPolarHBondContact CD1-SG 3.35Å
81T89.5Confident83.9Confident31 Ų3161.4 Ų61.419%0.1933%0.325CS..EExtended strand (participates in β ladder)trans-118.5134.1168.450.40000108.6L29 H57L29-T81 WeakPolarHBondContact CB-O 3.5Å; L29-T81 WeakPolarHBondContact CB-OG1 3.14Å; L29-T81 WeakPolarHBondContact CD2-OG1 3.18Å; L29-T81 PolarHBondContact N-O 3.26Å; H57-T81 CarbonylContact O-C 3.55Å; H57-T81 WeakPolarHBondContact O-CA 3.42Å
82L88.8Confident84Confident2 Ų258.7 Ų58.71%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-100.9142.7179.1-68.5177.3000110.8I21 M26 F27 H57 C59 L67I21-L82 HydrophobicContact CD1-CD1 3.2Å; M26-L82 HydrophobicContact CB-CB 4.16Å; M26-L82 HydrophobicContact CB-CD1 4.3Å; M26-L82 HydrophobicContact CB-CD2 4.46Å; F27-L82 WeakPolarHBondContact O-CA 3.35Å; F27-L82 WeakPolarHBondContact O-CD2 3.49Å; H57-L82 HydrophobicContact CB-CB 4.12Å; H57-L82 PolarHBondContact N-O 3.25Å; H57-L82 PolarHBondContact O-N 3.05Å; C59-L82 HydrophobicContact CB-CD1 4.42Å; C59-L82 HydrophobicContact CB-CG 4.35Å; L67-L82 HydrophobicContact CD1-CD1 4.44Å; L67-L82 HydrophobicContact CD1-CD2 3.8Å
83I90.5Very high84.3Confident3 Ų362.2 Ų62.22%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-133.3143.6-176.3-171.7159.7000110.1M26 F27 L29 V54 D87 V88 L91M26-I83 WeakPolarHBondContact CA-O 3.48Å; F27-I83 HydrophobicContact CB-CG2 4.2Å; F27-I83 PolarHBondContact N-O 3.18Å; F27-I83 WeakPolarHBondContact O-CG2 3.12Å; F27-I83 PolarHBondContact O-N 3.47Å; L29-I83 HydrophobicContact CB-CG2 4.42Å; L29-I83 HydrophobicContact CD1-CB 4.41Å; L29-I83 HydrophobicContact CD1-CD1 3.94Å; L29-I83 HydrophobicContact CD1-CG2 4.1Å; V54-I83 HydrophobicContact CG1-CD1 3.91Å; V54-I83 HydrophobicContact CG1-CG1 4.07Å; I83-D87 HydrophobicContact CD1-CB 3.65Å; I83-D87 HydrophobicContact CG1-CB 3.37Å; I83-V88 HydrophobicContact CG1-CG2 4.31Å; I83-V88 HydrophobicContact CG2-CG2 3.65Å; I83-L91 HydrophobicContact CD1-CD1 3.38Å; I83-L91 HydrophobicContact CD1-CG 4.49Å
84S89.8Confident84.3Confident17 Ų1762.8 Ų62.812%0.11933%0.333CS..EExtended strand (participates in β ladder)trans-76.4160.6179.176.40000111.5E86 D87 V88S84-E86 VanDerWaalsContact C-N 3.27Å; S84-E86 PolarHBondContact O-N 3.35Å; S84-D87 PolarHBondContact O-N 3.02Å; S84-D87 PolarHBondContact OG-N 3.17Å; S84-D87 PolarHBondContact OG-OD2 2.99Å; S84-V88 WeakPolarHBondContact O-CG2 3.33Å; S84-V88 PolarHBondContact O-N 3.27Å; S84-V88 VanDerWaalsContact O-N 3.15Å
85R86.7Confident84.3Confident86 Ų8659.8 Ų59.833%0.32531%0.308SS..Hα-helixtrans-53.8-45175.4-168175.8176.9145.44.7112.4E9 F27 D87 V88 E89E9-R85 IonicContact OE1-CZ 3.67Å; E9-R85 IonicContact OE1-NH1 2.91Å; E9-R85 PolarHBondContact OE1-NH1 2.84Å; E9-R85 IonicContact OE1-NH2 3.71Å; F27-R85 HydrophobicContact CE2-CB 3.84Å; F27-R85 HydrophobicContact CE2-CG 4.12Å; R85-D87 VanDerWaalsContact C-N 3.31Å; R85-D87 PolarHBondContact O-N 3.42Å; R85-V88 WeakPolarHBondContact O-CB 3.43Å; R85-V88 PolarHBondContact O-N 3.25Å; R85-E89 IonicContact NE-OE1 2.76Å; R85-E89 PolarHBondContact O-N 3.33Å
86E87.8Confident84.3Confident145 Ų14558.9 Ų58.968%0.67830%0.303SS*.Hα-helixtrans-59.4-43.3-178.6-64.7152.8-155.400111.2S84 E89 A90S84-E86 VanDerWaalsContact C-N 3.27Å; S84-E86 PolarHBondContact O-N 3.35Å; E86-E89 PolarHBondContact O-N 2.81Å; E86-A90 WeakPolarHBondContact O-CB 3.35Å; E86-A90 PolarHBondContact O-N 3.08Å
87D88.3Confident83.8Confident38 Ų3853 Ų5320%0.20328%0.28CS..Hα-helixtrans-70.8-31.3179.9-64.1-51.6000112.2V54 I83 S84 R85 L91V54-D87 HydrophobicContact CG1-CB 3.88Å; V54-D87 HydrophobicContact CG2-CB 4.16Å; I83-D87 HydrophobicContact CD1-CB 3.65Å; I83-D87 HydrophobicContact CG1-CB 3.37Å; S84-D87 PolarHBondContact O-N 3.02Å; S84-D87 PolarHBondContact OG-N 3.17Å; S84-D87 PolarHBondContact OG-OD2 2.99Å; R85-D87 VanDerWaalsContact C-N 3.31Å; R85-D87 PolarHBondContact O-N 3.42Å; D87-L91 VanDerWaalsContact O-CB 3.31Å; D87-L91 WeakPolarHBondContact O-CB 3.06Å; D87-L91 VanDerWaalsContact O-CG 3.29Å; D87-L91 WeakPolarHBondContact O-CG 3.39Å; D87-L91 PolarHBondContact O-N 3.35Å
88V86.1Confident82.8Confident3 Ų354 Ų542%0.01828%0.282CS..Hα-helixtrans-63.7-48.3174.9173.80000110.5V11 F27 V32 L36 I83 S84 R85 A90 L91 Y92V11-V88 HydrophobicContact CG1-CG1 4.38Å; F27-V88 HydrophobicContact CD2-CG2 4.48Å; V32-V88 HydrophobicContact CG1-CG1 4.03Å; V32-V88 HydrophobicContact CG1-CG2 4.35Å; V32-V88 HydrophobicContact CG2-CG2 4.04Å; L36-V88 HydrophobicContact CD1-CG1 4Å; I83-V88 HydrophobicContact CG1-CG2 4.31Å; I83-V88 HydrophobicContact CG2-CG2 3.65Å; S84-V88 WeakPolarHBondContact O-CG2 3.33Å; S84-V88 PolarHBondContact O-N 3.27Å; S84-V88 VanDerWaalsContact O-N 3.15Å; R85-V88 WeakPolarHBondContact O-CB 3.43Å; R85-V88 PolarHBondContact O-N 3.25Å; V88-A90 VanDerWaalsContact C-N 3.34Å; V88-A90 PolarHBondContact O-N 2.95Å; V88-L91 PolarHBondContact O-N 2.95Å; V88-Y92 WeakPolarHBondContact O-CB 3.35Å; V88-Y92 PolarHBondContact O-N 3.28Å
89E87.1Confident81.9Confident91 Ų9155.8 Ų55.843%0.42527%0.27SS..Hα-helixtrans-64.9-39.5179-67.5176.3-170.500111.6R85 E86 Y92 T93R85-E89 IonicContact NE-OE1 2.76Å; R85-E89 PolarHBondContact O-N 3.33Å; E86-E89 PolarHBondContact O-N 2.81Å; E89-Y92 PolarHBondContact O-N 2.96Å; E89-T93 WeakPolarHBondContact O-CB 3.34Å; E89-T93 PolarHBondContact O-N 3.43Å; E89-T93 PolarHBondContact O-OG1 2.99Å
90A87.3Confident80.6Confident34 Ų3450.9 Ų50.928%0.28126%0.256SS..Hα-helixtrans-64.2-42.8175.100000111.9L52 E86 V88 T93 S94L52-A90 HydrophobicContact CD2-CB 3.87Å; E86-A90 WeakPolarHBondContact O-CB 3.35Å; E86-A90 PolarHBondContact O-N 3.08Å; V88-A90 VanDerWaalsContact C-N 3.34Å; V88-A90 PolarHBondContact O-N 2.95Å; A90-T93 PolarHBondContact O-N 2.85Å; A90-S94 VanDerWaalsContact O-CB 3.26Å; A90-S94 WeakPolarHBondContact O-CB 3.45Å; A90-S94 PolarHBondContact O-N 3.45Å
91L85.1Confident79Confident2 Ų255.7 Ų55.71%0.0128%0.281CS..Hα-helixtrans-63.7-43.7174.7-81.1175.2000111.7V45 R48 L52 I83 D87 V88 T93 S94 C95V45-L91 HydrophobicContact CG1-CD1 4.42Å; V45-L91 HydrophobicContact CG1-CD2 4.3Å; R48-L91 HydrophobicContact CB-CD2 4.07Å; L52-L91 HydrophobicContact CD1-CD2 4.36Å; I83-L91 HydrophobicContact CD1-CD1 3.38Å; I83-L91 HydrophobicContact CD1-CG 4.49Å; D87-L91 VanDerWaalsContact O-CB 3.31Å; D87-L91 WeakPolarHBondContact O-CB 3.06Å; D87-L91 VanDerWaalsContact O-CG 3.29Å; D87-L91 WeakPolarHBondContact O-CG 3.39Å; D87-L91 PolarHBondContact O-N 3.35Å; V88-L91 PolarHBondContact O-N 2.95Å; L91-T93 VanDerWaalsContact C-N 3.35Å; L91-T93 PolarHBondContact O-N 2.95Å; L91-S94 PolarHBondContact O-N 2.96Å; L91-C95 WeakPolarHBondContact O-CB 3.16Å; L91-C95 PolarHBondContact O-N 3.49Å; L91-C95 PolarHBondContact O-SG 2.76Å
92Y83.6Confident77.3Confident66 Ų6660.7 Ų60.726%0.25930%0.3SS..Hα-helixtrans-60-47.3177.4-176.8-99.5000111V88 E89 S94 C95 K96V88-Y92 WeakPolarHBondContact O-CB 3.35Å; V88-Y92 PolarHBondContact O-N 3.28Å; E89-Y92 PolarHBondContact O-N 2.96Å; Y92-S94 PolarHBondContact O-N 3.24Å; Y92-C95 PolarHBondContact O-N 3.49Å; Y92-K96 HydrophobicContact CE1-CD 3.73Å; Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.41Å; Y92-K96 PolarHBondContact O-N 3.36Å; Y92-K96 PolarHBondContact OH-NZ 3.3Å
93T85Confident75.6Confident81 Ų8164.7 Ų64.750%0.49733%0.325SS..Hα-helixtrans-62.1-45.5177.5-59.60000111.8E89 A90 L91 C95 K96 T97E89-T93 WeakPolarHBondContact O-CB 3.34Å; E89-T93 PolarHBondContact O-N 3.43Å; E89-T93 PolarHBondContact O-OG1 2.99Å; A90-T93 PolarHBondContact O-N 2.85Å; L91-T93 VanDerWaalsContact C-N 3.35Å; L91-T93 PolarHBondContact O-N 2.95Å; T93-C95 PolarHBondContact O-N 3.17Å; T93-K96 PolarHBondContact O-N 2.91Å; T93-T97 HydrophobicContact CG2-CG2 4.13Å; T93-T97 WeakPolarHBondContact O-CB 3.5Å; T93-T97 WeakPolarHBondContact O-CG2 3.35Å; T93-T97 PolarHBondContact O-N 2.85Å; T93-T97 PolarHBondContact O-OG1 2.99Å
94S80.3Confident73.8Confident25 Ų2571 Ų7118%0.17535%0.352CS..Hα-helixtrans-63.8-42.7179.6-170.20000111.9A90 L91 Y92 T97 E98A90-S94 VanDerWaalsContact O-CB 3.26Å; A90-S94 WeakPolarHBondContact O-CB 3.45Å; A90-S94 PolarHBondContact O-N 3.45Å; L91-S94 PolarHBondContact O-N 2.96Å; Y92-S94 PolarHBondContact O-N 3.24Å; S94-T97 PolarHBondContact O-OG1 3.47Å; S94-E98 PolarHBondContact O-N 3.24Å
95C77.9Confident71.9Confident6 Ų680.2 Ų80.24%0.04138%0.384CS..Hα-helixtrans-66.4-40.7177.2-78.40000112.9L37 I40 L91 Y92 T93L37-C95 HydrophobicContact CD2-CB 4.06Å; I40-C95 HydrophobicContact CD1-CB 3.45Å; I40-C95 VanDerWaalsContact CD1-CB 3.45Å; L91-C95 WeakPolarHBondContact O-CB 3.16Å; L91-C95 PolarHBondContact O-N 3.49Å; L91-C95 PolarHBondContact O-SG 2.76Å; Y92-C95 PolarHBondContact O-N 3.49Å; T93-C95 PolarHBondContact O-N 3.17Å
96K75.3Confident70.1Confident114 Ų11486 Ų8650%0.49641%0.406SS..Hα-helixtrans-75.8-42.1-178.4-166.3164.4-172.6172.90112.3Y92 T93 E98 R99 V100Y92-K96 HydrophobicContact CE1-CD 3.73Å; Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.41Å; Y92-K96 PolarHBondContact O-N 3.36Å; Y92-K96 PolarHBondContact OH-NZ 3.3Å; T93-K96 PolarHBondContact O-N 2.91Å; K96-E98 PolarHBondContact O-N 3.48Å; K96-R99 PolarHBondContact O-N 3.41Å; K96-V100 PolarHBondContact O-N 2.83Å
97T67.4Low68.3Low59 Ų5988.2 Ų88.236%0.36241%0.408SS..Hα-helixtrans-65.4-35.3178.953.20000112.5T93 S94 R99 V100 L101T93-T97 HydrophobicContact CG2-CG2 4.13Å; T93-T97 WeakPolarHBondContact O-CB 3.5Å; T93-T97 WeakPolarHBondContact O-CG2 3.35Å; T93-T97 PolarHBondContact O-N 2.85Å; T93-T97 PolarHBondContact O-OG1 2.99Å; S94-T97 PolarHBondContact O-OG1 3.47Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.23Å; T97-V100 PolarHBondContact O-N 2.9Å; T97-L101 WeakPolarHBondContact O-CB 3.26Å; T97-L101 VanDerWaalsContact O-CG 3.26Å; T97-L101 WeakPolarHBondContact O-CG 3.26Å; T97-L101 PolarHBondContact O-N 3.41Å
98E60Low66.6Low45 Ų4590 Ų9021%0.2142%0.42CS..Hα-helixtrans-63.8-38.6176.3-160.6-151.1143.200112.3R48 S94 K96 V100 L101 K102R48-E98 IonicContact CZ-OE2 3.43Å; R48-E98 IonicContact NE-OE2 3.46Å; R48-E98 PolarHBondContact NE-OE2 3.43Å; R48-E98 IonicContact NH2-OE1 3.85Å; R48-E98 IonicContact NH2-OE2 2.67Å; R48-E98 PolarHBondContact NH2-OE2 3.27Å; S94-E98 PolarHBondContact O-N 3.24Å; K96-E98 PolarHBondContact O-N 3.48Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.89Å; E98-L101 PolarHBondContact O-N 2.63Å; E98-K102 WeakPolarHBondContact O-CB 3.29Å; E98-K102 PolarHBondContact O-N 2.92Å; E98-K102 WeakPolarHBondContact OE1-CE 3.45Å; E98-K102 IonicContact OE1-NZ 3.71Å; E98-K102 PolarHBondContact OE1-NZ 3.1Å
99R58.2Low64.9Low122 Ų12291.9 Ų91.946%0.4644%0.44SS..Hα-helixtrans-62.2-42.4175-70.3-173.2176.5-152.6-8.6111.6N39 K96 T97 T103N39-R99 PolarHBondContact O-NH2 3.36Å; K96-R99 PolarHBondContact O-N 3.41Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.23Å; R99-T103 PolarHBondContact O-N 2.88Å; R99-T103 PolarHBondContact O-OG1 3.29Å
100V52.8Low63.2Low92 Ų9297.3 Ų97.356%0.55846%0.457SS*.Hα-helixtrans-67.3-39.4177.5179.10000111K96 T97 E98 T103 K104K96-V100 PolarHBondContact O-N 2.83Å; T97-V100 PolarHBondContact O-N 2.9Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.89Å; V100-T103 PolarHBondContact O-N 3.26Å; V100-K104 WeakPolarHBondContact O-CB 3.28Å; V100-K104 PolarHBondContact O-N 3.39Å
101L51.9Low61.3Low107 Ų10798.8 Ų98.856%0.5647%0.469SS*.Hα-helixtrans-72.6-34.8178.9-69.8174.9000113T97 E98 T103 K104 R105T97-L101 WeakPolarHBondContact O-CB 3.26Å; T97-L101 VanDerWaalsContact O-CG 3.26Å; T97-L101 WeakPolarHBondContact O-CG 3.26Å; T97-L101 PolarHBondContact O-N 3.41Å; E98-L101 PolarHBondContact O-N 2.63Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.22Å; L101-K104 PolarHBondContact O-N 2.76Å; L101-R105 WeakPolarHBondContact O-CB 3.31Å; L101-R105 PolarHBondContact O-N 3.05Å
102K53.7Low59.6Low137 Ų137105 Ų10560%0.59650%0.501SS*.Hα-helixtrans-60.9-43171.2-101.4168.8171.71530111E98 R105 R106E98-K102 WeakPolarHBondContact O-CB 3.29Å; E98-K102 PolarHBondContact O-N 2.92Å; E98-K102 WeakPolarHBondContact OE1-CE 3.45Å; E98-K102 IonicContact OE1-NZ 3.71Å; E98-K102 PolarHBondContact OE1-NZ 3.1Å; K102-R105 PolarHBondContact O-N 2.88Å; K102-R106 WeakPolarHBondContact O-CB 3.31Å; K102-R106 PolarHBondContact O-N 3Å
103T52.7Low57.8Low86 Ų86105.7 Ų105.753%0.52852%0.521SS..Hα-helixtrans-68.4-39.5177.2-47.60000111.9R99 V100 L101 R106 R107R99-T103 PolarHBondContact O-N 2.88Å; R99-T103 PolarHBondContact O-OG1 3.29Å; V100-T103 PolarHBondContact O-N 3.26Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.22Å; T103-R106 PolarHBondContact O-N 3.23Å; T103-R107 PolarHBondContact O-N 3.46Å
104K52.2Low55.8Low135 Ų135107.4 Ų107.459%0.58753%0.531SS*.Hα-helixtrans-70.3-37.8176.2-156.3172.8-168.2-930112.1V100 L101 R106 R107 V108V100-K104 WeakPolarHBondContact O-CB 3.28Å; V100-K104 PolarHBondContact O-N 3.39Å; L101-K104 PolarHBondContact O-N 2.76Å; K104-R106 VanDerWaalsContact C-N 3.34Å; K104-R107 WeakPolarHBondContact O-CB 3.17Å; K104-R107 PolarHBondContact O-N 3.49Å; K104-V108 WeakPolarHBondContact O-CG2 3.42Å; K104-V108 PolarHBondContact O-N 2.8Å
105R50.2Low54Low210 Ų210115.1 Ų115.179%0.79256%0.562SS**Hα-helixtrans-66.8-35175-158178.5-158.5172.74.8111.4L101 K102 G109L101-R105 WeakPolarHBondContact O-CB 3.31Å; L101-R105 PolarHBondContact O-N 3.05Å; K102-R105 PolarHBondContact O-N 2.88Å; R105-G109 PolarHBondContact O-N 3.18Å
106R49.5Very low51.8Low208 Ų208119.3 Ų119.379%0.78560%0.597SS**Hα-helixtrans-68.7-35.5170.8-146.1179.1-169.8-163.93112.1K102 T103 K104 R110K102-R106 WeakPolarHBondContact O-CB 3.31Å; K102-R106 PolarHBondContact O-N 3Å; T103-R106 PolarHBondContact O-N 3.23Å; K104-R106 VanDerWaalsContact C-N 3.34Å; R106-R110 PolarHBondContact O-N 2.76Å
107R50.4Low50Low191 Ų191119.5 Ų119.572%0.72161%0.61SS**Hα-helixtrans-69.4-39.4174.9-157.3-176.9-72.6-170.6-3112.1T103 K104 A111T103-R107 PolarHBondContact O-N 3.46Å; K104-R107 WeakPolarHBondContact O-CB 3.17Å; K104-R107 PolarHBondContact O-N 3.49Å; R107-A111 WeakPolarHBondContact O-CB 3.14Å; R107-A111 PolarHBondContact O-N 3.47Å
108V51.4Low48.7Very low76 Ų76122.4 Ų122.446%0.46163%0.629SS.*Hα-helixtrans-69.6-40173.1173.80000111.1K104 R110 A111 L112K104-V108 WeakPolarHBondContact O-CG2 3.42Å; K104-V108 PolarHBondContact O-N 2.8Å; V108-R110 PolarHBondContact O-N 3.29Å; V108-A111 PolarHBondContact O-N 2.85Å; V108-L112 HydrophobicContact CG1-CD1 3.83Å; V108-L112 WeakPolarHBondContact O-CB 3.33Å; V108-L112 PolarHBondContact O-N 2.67Å
109G51.4Low48.5Very low43 Ų43126.1 Ų126.144%0.44366%0.657SS.*Hα-helixtrans-64.7-34174.600000113.8R105 A113R105-G109 PolarHBondContact O-N 3.18Å; G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 3.46Å
110R50.3Low47.2Very low205 Ų205129 Ų12977%0.77468%0.676SS**Hα-helixtrans-75.3-36.3171.4-107.5-174.3177.8-161.5-0.9113R106 V108 L112 A113 T114R106-R110 PolarHBondContact O-N 2.76Å; V108-R110 PolarHBondContact O-N 3.29Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.9Å; R110-A113 PolarHBondContact O-N 3.42Å; R110-T114 PolarHBondContact O-N 3.31Å; R110-T114 PolarHBondContact O-OG1 3.21Å; R110-T114 VanDerWaalsContact O-OG1 3.08Å
111A48.7Very low46.7Very low64 Ų64135.8 Ų135.853%0.52969%0.692SS.*Hα-helixtrans-66.5-33.517700000112.5R107 V108 T114R107-A111 WeakPolarHBondContact O-CB 3.14Å; R107-A111 PolarHBondContact O-N 3.47Å; V108-A111 PolarHBondContact O-N 2.85Å; A111-T114 PolarHBondContact O-OG1 3.17Å
112L49Very low45.6Very low133 Ų133135.6 Ų135.670%0.69671%0.706SS**Hα-helixtrans-76.3-22.5173.2-84.2152.2000113.7V108 R110V108-L112 HydrophobicContact CG1-CD1 3.83Å; V108-L112 WeakPolarHBondContact O-CB 3.33Å; V108-L112 PolarHBondContact O-N 2.67Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.9Å
113A45.1Very low44.8Very low81 Ų81133.7 Ų133.767%0.66972%0.715SS**Hα-helixtrans-82.6-15.5178.500000113.8G109 R110G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 3.46Å; R110-A113 PolarHBondContact O-N 3.42Å
114T43.9Very low44.2Very low117 Ų117134.4 Ų134.472%0.71873%0.73SS**THydrogen-bonded Turntrans-94.12.9178.728.70000115R110 A111R110-T114 PolarHBondContact O-N 3.31Å; R110-T114 PolarHBondContact O-OG1 3.21Å; R110-T114 VanDerWaalsContact O-OG1 3.08Å; A111-T114 PolarHBondContact O-OG1 3.17Å
115K41.1Very low43.2Very low186 Ų186132.5 Ų132.581%0.80974%0.74SS**  trans-13481.7172.3-72.1-150.4170.2-166.20111.2
116A32.3Very low42.8Very low94 Ų94127.8 Ų127.878%0.77774%0.739SS**  trans-108.4125.215400000108.1
117P38Very low42.2Very low119 Ų119123.6 Ų123.677%0.77374%0.738SS**  -117.8170.8119.7-1.822.9000112.3
118P40.8Very low42Very low119 Ų119125.3 Ų125.377%0.77375%0.745SS**  trans-81175.8-158.137.4-37.3000114
119P55.5Low41.6Very low123 Ų123127.2 Ų127.280%0.79976%0.759SS**  trans-92.7140.2-146.435.9-32.2000113.3
120E30.6Very low41Very low184 Ų184129.7 Ų129.786%0.8678%0.775SS**  trans-144.1147.6156.4-135-179.3120.900112.3
121R41Very low40.8Very low234 Ų234129 Ų12988%0.88378%0.778SS**  trans-48.7138.5-169.2-62.4163.8169.4142.8-5.7113.9
122A30.5Very low40.6Very low103 Ų103136.8 Ų136.885%0.85179%0.794SS**  -179.8143.1128.600000111.3
123A37Very low40.4Very low96 Ų96140 Ų14079%0.79380%0.802SS**  trans-75.9165.4-176.600000113.9
124A38.4Very low40.3Very low101 Ų101140.6 Ų140.684%0.83579%0.794SS**  trans89.3144.3148.800000119.7
125A32.5Very low40.4Very low96 Ų96142.4 Ų142.479%0.79379%0.792SS**  trans80.389.4172.300000117P127A125-P127 WeakPolarHBondContact O-CD 3.37Å
126S40.5Very low40.4Very low111 Ų111142 Ų14278%0.77679%0.793SS**  trans-81.1125.3157.7-170.70000109.7
127P38.6Very low41.1Very low119 Ų119144.2 Ų144.277%0.77379%0.787SS**  trans-100.1104.6155.56.713.9000107.7A125A125-P127 WeakPolarHBondContact O-CD 3.37Å
128R45.8Very low41.6Very low227 Ų227144.8 Ų144.886%0.85778%0.783SS**  trans-57.5129.8162.7-72.2177.3169.2-122.61108.2A130R128-A130 PolarHBondContact O-N 2.93Å; R128-A130 VanDerWaalsContact O-N 3.1Å
129P41.5Very low41.7Very low116 Ų116149.9 Ų149.975%0.75379%0.787SS**  trans-77.6104.1170.829.3-28.4000108.6F131P129-F131 PolarHBondContact O-N 3.43Å
130A40.5Very low41.2Very low95 Ų95155.1 Ų155.179%0.78579%0.791SS**  trans-6972.816100000109.3R128R128-A130 PolarHBondContact O-N 2.93Å; R128-A130 VanDerWaalsContact O-N 3.1Å
131F45.7Very low41.8Very low192 Ų192149.5 Ų149.584%0.84278%0.782SS**  trans-109.758.5179.1-172.4-101.8000110.6P129P129-F131 PolarHBondContact O-N 3.43Å
132W44Very low42Very low227 Ų227146.7 Ų146.786%0.8678%0.784SS**  trans-151.427.7175.658.4-81.4000114.4
133K44.7Very low42.8Very low201 Ų201147.8 Ų147.887%0.87479%0.785SS**SBendtrans-112.1135.6161.6-106.3170.4175.3-173.70109.3
134D43.9Very low42.6Very low93 Ų93146.7 Ų146.750%0.49778%0.783SS.*  trans84.575.2176.6-136.8-71.6000117Q137D134-Q137 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q137 PolarHBondContact OD2-NE2 3.3Å
135K45.2Very low42.4Very low154 Ų154146.6 Ų146.667%0.6778%0.782SS**  trans-130.82.9162-123.9-177.6-175-174.50114.5
136H42.3Very low42.7Very low178 Ų178146.4 Ų146.482%0.82478%0.781SS**SBendtrans-89.6-13.3173.8-101.1-102.6000113.2
137Q45.1Very low42.6Very low141 Ų141152.1 Ų152.166%0.65979%0.785SS**SBendtrans-89.1-21.6178.1-61.5-157.269.300113.9D134 W139 R140D134-Q137 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q137 PolarHBondContact OD2-NE2 3.3Å; Q137-W139 VanDerWaalsContact C-N 3.25Å; Q137-W139 PolarHBondContact O-N 3.15Å; Q137-R140 PolarHBondContact O-N 3.09Å
138L48.7Very low43.3Very low131 Ų131151.8 Ų151.869%0.68678%0.783SS**THydrogen-bonded Turntrans-73.9-9.7-176.2-79.1160.3000114.9
139W43.8Very low43Very low225 Ų225148.2 Ų148.285%0.85278%0.78SS**THydrogen-bonded Turntrans-106.51.5-179.3-64.385.3000113.7Q137Q137-W139 VanDerWaalsContact C-N 3.25Å; Q137-W139 PolarHBondContact O-N 3.15Å
140R44Very low43.1Very low234 Ų234147.6 Ų147.688%0.88378%0.776SS**SBendtrans-96.618.5176.4-74.7-92.1-154.8-1290.3113.2Q137Q137-R140 PolarHBondContact O-N 3.09Å
141G43.8Very low43.4Very low65 Ų65150.6 Ų150.667%0.6778%0.777SS**SBendtrans-112.3-0.3-170.300000117.4
142L45.7Very low43.1Very low176 Ų176147.5 Ų147.592%0.92178%0.78SS**SBendtrans-119.420.5-171.9-77.7166.6000114.9
143S46.8Very low42.8Very low125 Ų125140.2 Ų140.287%0.87477%0.767SS**  trans-13095.5173.2-59.40000109.8
144G33.1Very low42.4Very low74 Ų74139.6 Ų139.676%0.76377%0.768SS**  trans169.290.4173.700000115.7
145A35.1Very low41.9Very low99 Ų99140.1 Ų140.182%0.81878%0.779SS**  trans61.3110.614000000120.9
146A38.4Very low41.3Very low92 Ų92142.3 Ų142.376%0.7679%0.792SS**  32.4123.7128.900000119.9
147R38.5Very low41.2Very low231 Ų231145.3 Ų145.387%0.87280%0.796SS**  -167.6138.1111-100.7169.787.7-172.56.9111.7
148P53.1Low41.2Very low111 Ų111144.3 Ų144.372%0.72180%0.801SS**  trans-86.8172.8171.535.3-31.3000111.4
149L39.8Very low40.3Very low153 Ų153141.7 Ų141.780%0.80181%0.806SS**  trans126.7158.8160.1-67.9172000113
150P43.1Very low39.7Very low102 Ų102135.5 Ų135.566%0.66280%0.803SS**  cis-131.3157.5-37.133.4-16.1000113.4
151I47Very low39Very low158 Ų158129 Ų12981%0.8180%0.799SS**  trans34.2112.6136.6-49.8165.6000117.2
152S39.4Very low38.5Very low128 Ų128130.4 Ų130.490%0.89580%0.804SS**  trans-122.3128.1142.8-174.10000109.2
153A38Very low37.9Very low73 Ų73126.8 Ų126.860%0.60380%0.8SS**  trans-85174.3-173.700000112.2
154Q36.4Very low37.4Very low188 Ų188132 Ų13288%0.87980%0.8SS**  trans94.794.5170.1-58.4-179.3-22.400114
155S32.3Very low38.1Very low105 Ų105133.9 Ų133.973%0.73480%0.799SS**  91.4106.368.2173.20000110.8
156Q32.3Very low38.1Very low200 Ų200133 Ų13394%0.93579%0.792SS**  -147147120.3-69.4-157.3-9.600109.9
157R41.5Very low38.5Very low241 Ų241132.8 Ų132.891%0.90979%0.79SS**  trans-91.1179.3-158.4-113.2-161.9167.1153.9-6.2113.1
158P43.9Very low38.9Very low120 Ų120130.9 Ų130.978%0.77979%0.791SS**  trans-104.9170.7-150.642.1-39.2000114.8
159G30.2Very low39.1Very low75 Ų75133.3 Ų133.377%0.77380%0.797SS**  trans153.6135.7156.900000108.8
160A30.8Very low39.6Very low96 Ų96131.5 Ų131.579%0.79379%0.794SS**  cis-173.8161.4-5.600000103.8
161A30.6Very low39.9Very low97 Ų97134.9 Ų134.980%0.80280%0.801SS**  trans78.9115.8157.500000119.3
162A32.7Very low40.1Very low95 Ų95135.6 Ų135.679%0.78581%0.805SS**  93.8115.1124.100000119.8
163A33.9Very low40.3Very low100 Ų100136.5 Ų136.583%0.82679%0.793SS**  trans70.8118130.800000119.9
164R35.3Very low40.5Very low233 Ų233137.4 Ų137.488%0.87980%0.795SS**  trans-60.4179.6152.4-54.4172.679175.75.1110
165P48.2Very low40.7Very low115 Ų115136.4 Ų136.475%0.74779%0.788SS**  cis-132-171-20.621.93.4000112.3
166A34.9Very low41.3Very low80 Ų80141.2 Ų141.266%0.66179%0.791SS**  trans112.6120.1138.900000118.9
167A47Very low41.9Very low88 Ų88137.4 Ų137.473%0.72778%0.784SS**  trans52.292.6131.100000119.1
168H45.8Very low41.8Very low190 Ų190130 Ų13088%0.8878%0.782SS**  trans-140.476.7149.7-72.4-71.6000110.4
169L57.9Low41.7Very low163 Ų163130 Ų13085%0.85379%0.785SS**  trans-83.3121.9159-14097.3000106.7Q171L169-Q171 PolarHBondContact O-N 3.04Å
170P50.2Low42.1Very low115 Ų115135 Ų13575%0.74779%0.788SS**  trans-71.1103.7175.924.7-29.3000110.1I172P170-I172 PolarHBondContact O-N 3.09Å; P170-I172 VanDerWaalsContact O-N 3.12Å
171Q50Low42.6Very low173 Ų173140.5 Ų140.581%0.80879%0.79SS**  trans-68.496.6162.3-72.6-164.3-0.700109.1L169 F173L169-Q171 PolarHBondContact O-N 3.04Å; Q171-F173 VanDerWaalsContact C-N 3.3Å; Q171-F173 PolarHBondContact O-N 2.98Å; Q171-F173 VanDerWaalsContact O-N 3.14Å
172I50.1Low43.4Very low172 Ų172140.5 Ų140.588%0.88278%0.782SS**  trans-79.689160.822.2173000108P170 S174P170-I172 PolarHBondContact O-N 3.09Å; P170-I172 VanDerWaalsContact O-N 3.12Å; I172-S174 PolarHBondContact O-N 3.5Å
173F45.2Very low43.9Very low147 Ų147144.3 Ų144.365%0.64578%0.783SS**  trans-72.9102.7171.1-171.1-104.7000109.2Q171 K175Q171-F173 VanDerWaalsContact C-N 3.3Å; Q171-F173 PolarHBondContact O-N 2.98Å; Q171-F173 VanDerWaalsContact O-N 3.14Å; F173-K175 HydrophobicContact CD1-CB 4.47Å; F173-K175 HydrophobicContact CD1-CD 4.48Å; F173-K175 HydrophobicContact CD1-CG 4.25Å; F173-K175 HydrophobicContact CE1-CB 4.13Å; F173-K175 HydrophobicContact CE1-CD 3.43Å; F173-K175 VanDerWaalsContact CE1-CD 3.43Å; F173-K175 HydrophobicContact CE1-CG 3.51Å; F173-K175 HydrophobicContact CZ-CD 3.74Å; F173-K175 VanDerWaalsContact CZ-CE 3.44Å; F173-K175 HydrophobicContact CZ-CG 3.72Å
174S42.2Very low44.2Very low93 Ų93147.1 Ų147.165%0.6578%0.783SS**  trans-106.686.5166.9-177.50000109I172 Y176I172-S174 PolarHBondContact O-N 3.5Å; S174-Y176 PolarHBondContact O-N 3.25Å; S174-Y176 WeakPolarHBondContact OG-CE2 3.49Å
175K39.9Very low44.6Very low166 Ų166141.2 Ų141.272%0.72277%0.772SS**  trans-62.3119.4160.9-102.6179.8-179.6158.80108.5F173F173-K175 HydrophobicContact CD1-CB 4.47Å; F173-K175 HydrophobicContact CD1-CD 4.48Å; F173-K175 HydrophobicContact CD1-CG 4.25Å; F173-K175 HydrophobicContact CE1-CB 4.13Å; F173-K175 HydrophobicContact CE1-CD 3.43Å; F173-K175 VanDerWaalsContact CE1-CD 3.43Å; F173-K175 HydrophobicContact CE1-CG 3.51Å; F173-K175 HydrophobicContact CZ-CD 3.74Å; F173-K175 VanDerWaalsContact CZ-CE 3.44Å; F173-K175 HydrophobicContact CZ-CG 3.72Å
176Y44.5Very low44.5Very low206 Ų206147.3 Ų147.381%0.80878%0.78SS**  trans-122.8131.9150.9-83.8-84.4000108.6S174S174-Y176 PolarHBondContact O-N 3.25Å; S174-Y176 WeakPolarHBondContact OG-CE2 3.49Å
177P46.2Very low44.9Very low121 Ų121148.4 Ų148.479%0.78678%0.783SS**  trans-75.8157.517833.3-32.3000110.5
178G38.4Very low44.8Very low85 Ų85150 Ų15088%0.87679%0.786SS**  trans-57.8151.2-165.700000116.6
179S40.9Very low44.6Very low120 Ų120147.2 Ų147.284%0.83979%0.786SS**  trans-126.1112.5155.1-174.80000108.1
180H38.6Very low44.1Very low179 Ų179149.1 Ų149.183%0.82979%0.788SS**  trans-10.1123.7156-126.6-105.5000115.6P182H180-P182 WeakPolarHBondContact O-CD 3.44Å
181Y42.6Very low44.1Very low212 Ų212149 Ų14983%0.83179%0.79SS**  trans-67.4126.8161.2-133.7-96.7000107.8E183Y181-E183 PolarHBondContact O-N 3.17Å
182P47.8Very low44.1Very low98 Ų98145.3 Ų145.364%0.63678%0.783SS**  trans-74.8112.8157.927.6-26.1000107.6H180 I184H180-P182 WeakPolarHBondContact O-CD 3.44Å; P182-I184 PolarHBondContact O-N 3.34Å
183E41.6Very low44.1Very low175 Ų175144.4 Ų144.482%0.81878%0.779SS**  trans-50.599.9163-163-172.3149.700109.1Y181 V185Y181-E183 PolarHBondContact O-N 3.17Å; E183-V185 PolarHBondContact O-N 3.49Å; E183-V185 VanDerWaalsContact O-N 3.1Å
184I41.7Very low44.4Very low158 Ų158143.7 Ų143.781%0.8178%0.782SS**  trans-79.698.2171.4-66.7161000106.6P182 R186P182-I184 PolarHBondContact O-N 3.34Å; I184-R186 PolarHBondContact O-N 3.33Å
185V42.5Very low45.1Very low109 Ų109149.4 Ų149.466%0.66179%0.791SS**  trans-38.1126.1167175.10000110.7E183 S187E183-V185 PolarHBondContact O-N 3.49Å; E183-V185 VanDerWaalsContact O-N 3.1Å; V185-S187 PolarHBondContact O-N 3.05Å
186R45.7Very low45.7Very low243 Ų243149.5 Ų149.592%0.91779%0.794SS**  trans-47.8105164-92.5173.9157.1160.8-6.6109.8I184I184-R186 PolarHBondContact O-N 3.33Å
187S45.1Very low46.2Very low103 Ų103145.8 Ų145.872%0.7279%0.793SS**PPolyproline II helixtrans-73.2129.4163.749.60000109.5V185 C189V185-S187 PolarHBondContact O-N 3.05Å; S187-C189 PolarHBondContact O-N 3.01Å
188P43.9Very low46.5Very low122 Ų122144.2 Ų144.279%0.79279%0.79SS**PPolyproline II helixtrans-60133.1177.2-2131.7000111.3K190P188-K190 PolarHBondContact O-N 3.3Å
189C41.3Very low47Very low131 Ų131149.1 Ų149.189%0.88579%0.79SS**PPolyproline II helixtrans-47122.7175.8-60.50000111.4S187S187-C189 PolarHBondContact O-N 3.01Å
190K48.5Very low47.4Very low204 Ų204151.7 Ų151.789%0.88779%0.793SS**PPolyproline II helixtrans-69.8128.9159.8-68.2-177.1179-179.70107.7P188P188-K190 PolarHBondContact O-N 3.3Å
191S50.1Low47.9Very low112 Ų112151.9 Ų151.978%0.78380%0.795SS**PPolyproline II helixtrans-53.5137.5177.646.60000112.2L193S191-L193 PolarHBondContact O-N 3.38Å
192S50.4Low48.1Very low95 Ų95144.5 Ų144.566%0.66478%0.783SS**PPolyproline II helixtrans-55.9124.1168.449.70000110.4N194S192-N194 PolarHBondContact O-N 3Å
193L50.2Low48.1Very low154 Ų154146.9 Ų146.981%0.80679%0.79SS**  trans-72.697.1173.6-135143000107.5S191 Y195S191-L193 PolarHBondContact O-N 3.38Å; L193-Y195 VanDerWaalsContact O-CD1 3.3Å; L193-Y195 WeakPolarHBondContact O-CD1 3.3Å; L193-Y195 PolarHBondContact O-N 3.06Å
194N50.4Low48.6Very low131 Ų131149.5 Ų149.570%0.70179%0.794SS**  trans-68.6113.7172.1-77.9-74.4000108.5S192 E196S192-N194 PolarHBondContact O-N 3Å; N194-E196 PolarHBondContact O-N 3.44Å
195Y56.1Low49.1Very low213 Ų213147 Ų14784%0.83579%0.786SS**  trans-8611178.528.4-98.3000113.3L193L193-Y195 VanDerWaalsContact O-CD1 3.3Å; L193-Y195 WeakPolarHBondContact O-CD1 3.3Å; L193-Y195 PolarHBondContact O-N 3.06Å
196E52.8Low49.2Very low169 Ų169146.4 Ų146.479%0.7979%0.792SS**SBendtrans-98.415.4-169.3-151.8165.9118.400114.2N194N194-E196 PolarHBondContact O-N 3.44Å
197T56.2Low49.3Very low128 Ų128143.8 Ų143.879%0.78579%0.788SS**  trans-152.741.2177.2-27.50000114.5
198A50.9Low49.3Very low87 Ų87151 Ų15172%0.71981%0.81SS**  trans-86107.3160.700000108.3L200A198-L200 PolarHBondContact O-N 3.07Å
199Q48.9Very low49.6Very low189 Ų189152.5 Ų152.588%0.88381%0.811SS**  trans-56.7113.4167.8-79.8-160.2-12.200109Q201Q199-Q201 PolarHBondContact O-N 3.06Å
200L51Low50.1Low173 Ų173153.6 Ų153.691%0.90681%0.807SS**  trans-69100.6169.1-71.5166.3000107.7A198 G202A198-L200 PolarHBondContact O-N 3.07Å; L200-G202 PolarHBondContact O-N 3.25Å; L200-G202 VanDerWaalsContact O-N 3.08Å
201Q48.4Very low50.1Low184 Ų184150.8 Ų150.886%0.8680%0.803SS**  trans-65.5106.5168.8-166173.69.800107.8Q199 N203Q199-Q201 PolarHBondContact O-N 3.06Å; Q201-N203 PolarHBondContact O-N 3.08Å
202G47Very low50.1Low56 Ų56153.1 Ų153.158%0.57780%0.804SS**  trans-65.9114.1-177.700000111.8L200L200-G202 PolarHBondContact O-N 3.25Å; L200-G202 VanDerWaalsContact O-N 3.08Å
203N48.5Very low50.1Low149 Ų149156.8 Ų156.880%0.79781%0.812SS**  trans-95.795.4159.9-84.4-6.4000108.3Q201 V205Q201-N203 PolarHBondContact O-N 3.08Å; N203-V205 PolarHBondContact O-N 3.38Å
204Y51.1Low50.1Low230 Ų230156.9 Ų156.990%0.90281%0.813SS**  trans-66117.8162.5-77.3-95000108.5
205V51.8Low50.1Low106 Ų106158.8 Ų158.864%0.64282%0.821SS**  trans-99.7102.1163.6-1720000106.6N203 F207N203-V205 PolarHBondContact O-N 3.38Å; V205-F207 HydrophobicContact CB-CE2 4.23Å; V205-F207 HydrophobicContact CG1-CD2 4.08Å; V205-F207 HydrophobicContact CG1-CE2 3.53Å; V205-F207 HydrophobicContact CG1-CZ 3.87Å
206A44.3Very low49.7Very low95 Ų95154.6 Ų154.679%0.78582%0.82SS**  trans-73125.816800000108.6
207F48.4Very low49.4Very low188 Ų188153.4 Ų153.483%0.82582%0.822SS**  trans-102.4124.7164.9-75.6-85.4000107.7V205V205-F207 HydrophobicContact CB-CE2 4.23Å; V205-F207 HydrophobicContact CG1-CD2 4.08Å; V205-F207 HydrophobicContact CG1-CE2 3.53Å; V205-F207 HydrophobicContact CG1-CZ 3.87Å
208H46.1Very low48.8Very low256 Ų256155.7 Ų155.7100%1.18583%0.826SS**  trans-100.80-176.6-151.5-52.2000110.5

Retrieved 208 of 208 residues in 475.2 ms (Link to these results)

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