A0A096MZJ0_PAPAN Loading...

6-phosphogluconate dehydrogenase, decarboxylating

Catalyzes the oxidative decarboxylation of 6-phosphogluconate to ribulose 5-phosphate and CO(2), with concomitant reduction of NADP to NADPH.

AlphaFold DB , UniProt , Accession A0A096MZJ0, Species PAPAN (Papio anubis, Olive baboon), Gene PGD, Length 483 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M60.4Low92.3Very high216 Ų21640.3 Ų40.3100%1.06422%0.217SC*.  0141.50-74.3-177.7-143.800108.3Q3M1-Q3 PolarHBondContact O-N 3.2Å
2A75.4Confident92.6Very high61 Ų6142 Ų4250%0.50424%0.241SC..  trans-71.5111.4175.200000109.7K64 L65A2-K64 CarbonylContact C-O 3.57Å; A2-K64 WeakPolarHBondContact CA-O 3.42Å; A2-L65 WeakPolarHBondContact CB-O 3.49Å
3Q91.4Very high92.7Very high132 Ų13243.6 Ų43.662%0.61725%0.252SS*.  trans-129.3-28-173.9-170176.9-2.700112.3M1 K64 K66M1-Q3 PolarHBondContact O-N 3.2Å; Q3-K64 PolarHBondContact N-O 3.29Å; Q3-K66 VanDerWaalsContact O-CE 3.25Å; Q3-K66 WeakPolarHBondContact O-CE 3.2Å
4A98.3Very high92.8Very high1 Ų144.4 Ų44.41%0.00825%0.253CS..BIsolated β-bridgetrans-82.4137.4-178.500000111.9V28 C30 V53 K64 L65 K66A4-V28 CarbonylContact C-O 3.56Å; A4-V28 WeakPolarHBondContact CA-O 3.41Å; A4-V28 HydrophobicContact CB-CG1 4.15Å; A4-C30 HydrophobicContact CB-CB 3.9Å; A4-V53 HydrophobicContact CB-CG2 4.47Å; A4-K64 PolarHBondContact N-O 2.95Å; A4-L65 HydrophobicContact CB-CD2 4Å; A4-K66 WeakPolarHBondContact O-CG 3.13Å; A4-K66 PolarHBondContact O-N 2.93Å
5D98.7Very high93.1Very high26 Ų2641.5 Ų41.514%0.13924%0.237CC..SBendtrans-73.2-38.5175.8-63.1-61.8000111.2F27 V28 K66 R70D5-F27 HydrophobicContact CB-CB 4.36Å; D5-F27 HydrophobicContact CB-CD1 4.39Å; D5-V28 PolarHBondContact N-O 2.77Å; D5-V28 PolarHBondContact OD2-N 3.02Å; D5-K66 WeakPolarHBondContact OD1-CD 3.41Å; D5-K66 WeakPolarHBondContact OD1-CE 3.49Å; D5-K66 IonicContact OD1-NZ 2.72Å; D5-K66 PolarHBondContact OD1-NZ 3.44Å; D5-K66 IonicContact OD2-NZ 3.8Å; D5-R70 PolarHBondContact O-NE 3.3Å; D5-R70 PolarHBondContact O-NH2 2.91Å
6I98.8Very high93.4Very high0 Ų041.3 Ų41.30%023%0.233CC..EExtended strand (participates in β ladder)trans-151.6152.7-174.2-166.4160.2000110.5M22 V29 C30 L65 R70 I72 I156I6-M22 HydrophobicContact CD1-SD 4.29Å; I6-M22 HydrophobicContact CG2-CE 4.33Å; I6-M22 HydrophobicContact CG2-SD 3.68Å; I6-V29 HydrophobicContact CG2-CB 4.47Å; I6-V29 HydrophobicContact CG2-CG1 4.17Å; I6-V29 HydrophobicContact CG2-CG2 4.02Å; I6-V29 CarbonylContact O-C 3.59Å; I6-V29 WeakPolarHBondContact O-CA 3.45Å; I6-C30 PolarHBondContact O-N 3.21Å; I6-L65 VanDerWaalsContact C-CD2 3.41Å; I6-R70 WeakPolarHBondContact CA-O 3.3Å; I6-R70 HydrophobicContact CB-CB 4.34Å; I6-R70 HydrophobicContact CD1-CB 4.08Å; I6-R70 HydrophobicContact CG1-CB 3.79Å; I6-R70 WeakPolarHBondContact CG1-O 3.47Å; I6-I72 HydrophobicContact CD1-CD1 3.62Å; I6-I72 HydrophobicContact CD1-CG1 3.85Å; I6-I72 HydrophobicContact CG1-CD1 4.35Å; I6-I72 HydrophobicContact CG1-CG1 4.32Å; I6-I156 HydrophobicContact CB-CD1 4.13Å; I6-I156 HydrophobicContact CD1-CD1 3.99Å; I6-I156 HydrophobicContact CD1-CG2 4.38Å; I6-I156 HydrophobicContact CG2-CD1 4.39Å
7A98.9Very high93.7Very high0 Ų040.6 Ų40.60%023%0.229CC..EExtended strand (participates in β ladder)trans-109152.5168.100000111.2C30 M61 L65 R70 I71 I72A7-C30 CarbonylContact C-O 3.47Å; A7-C30 WeakPolarHBondContact CA-O 3.44Å; A7-C30 HydrophobicContact CB-CB 4.16Å; A7-C30 WeakPolarHBondContact CB-O 3.29Å; A7-M61 HydrophobicContact CB-CE 4.34Å; A7-M61 HydrophobicContact CB-CG 3.82Å; A7-M61 HydrophobicContact CB-SD 3.68Å; A7-L65 HydrophobicContact CB-CD1 3.86Å; A7-L65 HydrophobicContact CB-CD2 3.83Å; A7-L65 HydrophobicContact CB-CG 4.33Å; A7-R70 PolarHBondContact N-O 3.16Å; A7-I71 HydrophobicContact CB-CG1 4.34Å; A7-I71 HydrophobicContact CB-CG2 4.38Å; A7-I72 PolarHBondContact O-N 2.93Å
8L98.9Very high94Very high0 Ų038.6 Ų38.60%022%0.217CC..EExtended strand (participates in β ladder)trans-129.2126.8167.1-172148.4000110.1G10 L18 I19 M22 C30 F32 I72 L74L8-G10 WeakPolarHBondContact CD2-O 3.26Å; L8-L18 HydrophobicContact CD1-CB 4.25Å; L8-L18 HydrophobicContact CD1-CD2 3.96Å; L8-L18 HydrophobicContact CD1-CG 4.42Å; L8-I19 HydrophobicContact CB-CD1 4.04Å; L8-I19 HydrophobicContact CB-CG1 3.82Å; L8-I19 HydrophobicContact CD1-CG1 4.12Å; L8-I19 HydrophobicContact CD2-CD1 3.89Å; L8-I19 HydrophobicContact CD2-CG1 4.17Å; L8-I19 HydrophobicContact CG-CD1 4.41Å; L8-I19 HydrophobicContact CG-CG1 4.25Å; L8-M22 HydrophobicContact CD1-CE 4.18Å; L8-C30 PolarHBondContact N-O 3.12Å; L8-F32 PolarHBondContact O-N 3.42Å; L8-I72 CarbonylContact C-O 3.5Å; L8-I72 WeakPolarHBondContact CA-O 3.45Å; L8-I72 HydrophobicContact CB-CB 4.39Å; L8-I72 HydrophobicContact CD1-CB 4.24Å; L8-I72 HydrophobicContact CD1-CG2 4Å; L8-I72 HydrophobicContact CG-CB 4.17Å; L8-I72 HydrophobicContact CG-CG2 4.2Å; L8-L74 HydrophobicContact CD1-CB 4.5Å; L8-L74 HydrophobicContact CD1-CD2 4.43Å; L8-L74 HydrophobicContact CD2-CB 4.27Å; L8-L74 HydrophobicContact CG-CB 4.49Å
9I98.8Very high94.2Very high0 Ų036.5 Ų36.50%021%0.206CC..EExtended strand (participates in β ladder)trans-101.5119.7175.1-55.1-172000109.2F32 L58 M61 I71 I72 L73 L74 V75 F84 L88I9-F32 WeakPolarHBondContact CA-O 3.38Å; I9-F32 HydrophobicContact CD1-CD1 4.14Å; I9-F32 HydrophobicContact CG1-CB 4.36Å; I9-F32 HydrophobicContact CG1-CD1 4.05Å; I9-F32 HydrophobicContact CG2-CD1 4.03Å; I9-L58 HydrophobicContact CD1-CD2 3.75Å; I9-M61 HydrophobicContact CD1-CE 3.97Å; I9-M61 HydrophobicContact CD1-SD 3.93Å; I9-M61 HydrophobicContact CG1-CE 4.4Å; I9-M61 HydrophobicContact CG1-SD 3.76Å; I9-I71 HydrophobicContact CD1-CG2 3.96Å; I9-I71 HydrophobicContact CG1-CG2 4.07Å; I9-I72 PolarHBondContact N-O 3.14Å; I9-L73 HydrophobicContact CB-CD2 3.95Å; I9-L73 HydrophobicContact CD1-CD2 3.68Å; I9-L73 HydrophobicContact CG1-CD2 4.06Å; I9-L74 PolarHBondContact O-N 3.39Å; I9-V75 HydrophobicContact CG2-CG1 4.12Å; I9-F84 HydrophobicContact CD1-CD1 4.08Å; I9-F84 HydrophobicContact CD1-CE1 4.29Å; I9-F84 HydrophobicContact CG2-CD1 4.12Å; I9-F84 HydrophobicContact CG2-CD2 4.31Å; I9-F84 HydrophobicContact CG2-CE1 3.65Å; I9-F84 HydrophobicContact CG2-CE2 3.87Å; I9-F84 HydrophobicContact CG2-CG 4.44Å; I9-F84 HydrophobicContact CG2-CZ 3.5Å; I9-F84 VanDerWaalsContact CG2-CZ 3.5Å; I9-L88 HydrophobicContact CD1-CD1 4.16Å; I9-L88 HydrophobicContact CD1-CD2 4.46Å
10G97.9Very high94.5Very high4 Ų435.5 Ų35.54%0.04120%0.2CC..  trans116.398.7176.500000112.6L8 A12 F32L8-G10 WeakPolarHBondContact CD2-O 3.26Å; G10-A12 PolarHBondContact O-N 2.82Å; G10-F32 PolarHBondContact N-O 3.16Å
11L97.8Very high94.7Very high3 Ų333.9 Ų33.92%0.01619%0.19CC..  trans-100.750.3-174.3-60.5178.2000112.5Q16 I19 A31 N33 K38 V39 F42L11-Q16 HydrophobicContact CB-CG 4.33Å; L11-Q16 PolarHBondContact O-NE2 3.36Å; L11-I19 HydrophobicContact CD2-CD1 3.37Å; L11-A31 HydrophobicContact CD1-CB 4.47Å; L11-A31 HydrophobicContact CD2-CB 4.19Å; L11-N33 HydrophobicContact CB-CB 4.24Å; L11-N33 HydrophobicContact CD1-CB 3.9Å; L11-N33 HydrophobicContact CG-CB 3.93Å; L11-N33 PolarHBondContact N-OD1 3.24Å; L11-N33 VanDerWaalsContact N-OD1 3.16Å; L11-K38 HydrophobicContact CB-CB 4.5Å; L11-K38 HydrophobicContact CD1-CB 4.46Å; L11-V39 HydrophobicContact CD1-CB 4.32Å; L11-V39 HydrophobicContact CD1-CG2 3.85Å; L11-F42 HydrophobicContact CD1-CB 4.32Å; L11-F42 HydrophobicContact CD1-CD1 4.45Å; L11-F42 HydrophobicContact CD2-CD1 4.25Å; L11-F42 HydrophobicContact CD2-CE1 4.47Å
12A95.4Very high96.5Very high61 Ų6123.6 Ų23.650%0.50414%0.14SC..SBendtrans-81.3174.8159.900000109.8G10 M14 G15 Q16G10-A12 PolarHBondContact O-N 2.82Å; A12-M14 VanDerWaalsContact C-N 3.27Å; A12-M14 PolarHBondContact O-N 3.07Å; A12-M14 VanDerWaalsContact O-N 3.17Å; A12-G15 PolarHBondContact O-N 3.13Å; A12-Q16 PolarHBondContact O-N 2.9Å
13V94.2Very high97.6Very high63 Ų6321.3 Ų21.338%0.38212%0.119SC..Hα-helixtrans-52.1-44-175.9-174.90000112.6G15 Q16 N17 E132V13-G15 PolarHBondContact O-N 3.03Å; V13-Q16 PolarHBondContact O-N 3.2Å; V13-N17 WeakPolarHBondContact O-CB 3.27Å; V13-N17 PolarHBondContact O-N 2.78Å; V13-E132 HydrophobicContact CB-CG 4.31Å; V13-E132 HydrophobicContact CG1-CB 3.92Å; V13-E132 VanDerWaalsContact CG1-CD 3.45Å; V13-E132 HydrophobicContact CG1-CG 3.56Å
14M94.5Very high97.9Very high54 Ų5419.3 Ų19.327%0.26611%0.113SC..Hα-helixtrans-59-42.7175.9-71-63.6-64.100113.2A12 L18 L74 V128 G131 A135A12-M14 VanDerWaalsContact C-N 3.27Å; A12-M14 PolarHBondContact O-N 3.07Å; A12-M14 VanDerWaalsContact O-N 3.17Å; M14-L18 WeakPolarHBondContact O-CB 3.46Å; M14-L18 PolarHBondContact O-N 2.72Å; M14-L18 VanDerWaalsContact O-N 3.09Å; M14-L74 HydrophobicContact CB-CD2 3.95Å; M14-V128 HydrophobicContact CE-CG1 4.02Å; M14-G131 VanDerWaalsContact SD-C 3.52Å; M14-A135 HydrophobicContact CE-CB 3.83Å; M14-A135 HydrophobicContact SD-CB 4.06Å
15G96.9Very high97.9Very high1 Ų123.3 Ų23.31%0.0113%0.131CC..Hα-helixtrans-72.8-42.1-17800000112.5A12 V13 L18 I19A12-G15 PolarHBondContact O-N 3.13Å; V13-G15 PolarHBondContact O-N 3.03Å; G15-L18 PolarHBondContact O-N 3.34Å; G15-I19 WeakPolarHBondContact O-CD1 3.46Å; G15-I19 VanDerWaalsContact O-CG1 3.23Å; G15-I19 WeakPolarHBondContact O-CG1 3.34Å; G15-I19 PolarHBondContact O-N 3.33Å
16Q98.3Very high97.9Very high39 Ų3924 Ų2418%0.18214%0.144CC..Hα-helixtrans-58.8-50.8174.6-68-176.99.500110.9L11 A12 V13 L18 I19 L20 F42L11-Q16 HydrophobicContact CB-CG 4.33Å; L11-Q16 PolarHBondContact O-NE2 3.36Å; A12-Q16 PolarHBondContact O-N 2.9Å; V13-Q16 PolarHBondContact O-N 3.2Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 2.73Å; Q16-I19 WeakPolarHBondContact O-CB 3.32Å; Q16-I19 PolarHBondContact O-N 3.22Å; Q16-L20 WeakPolarHBondContact O-CG 3.31Å; Q16-L20 PolarHBondContact O-N 3.34Å; Q16-F42 HydrophobicContact CB-CD2 4.09Å; Q16-F42 HydrophobicContact CB-CE2 3.61Å; Q16-F42 HydrophobicContact CB-CZ 4.17Å; Q16-F42 HydrophobicContact CG-CD2 3.67Å; Q16-F42 HydrophobicContact CG-CE2 3.71Å; Q16-F42 HydrophobicContact CG-CG 4.31Å; Q16-F42 HydrophobicContact CG-CZ 4.37Å
17N98.4Very high97.9Very high29 Ų2925.5 Ų25.516%0.15515%0.15CC..Hα-helixtrans-64-37.8-178.9-75.5-12.3000112.7V13 L20 N21 E132 A135 R136V13-N17 WeakPolarHBondContact O-CB 3.27Å; V13-N17 PolarHBondContact O-N 2.78Å; N17-L20 PolarHBondContact O-N 3.34Å; N17-N21 WeakPolarHBondContact O-CB 3.29Å; N17-N21 PolarHBondContact O-N 3.45Å; N17-E132 PolarHBondContact ND2-O 3.08Å; N17-A135 HydrophobicContact CB-CB 3.85Å; N17-R136 HydrophobicContact CB-CB 3.93Å
18L98.4Very high97.9Very high4 Ų426.6 Ų26.62%0.02116%0.157CC..Hα-helixtrans-68.3-36.3176.3-164.365.8000112.2L8 M14 G15 Q16 N21 M22 L74 P139 I160L8-L18 HydrophobicContact CD1-CB 4.25Å; L8-L18 HydrophobicContact CD1-CD2 3.96Å; L8-L18 HydrophobicContact CD1-CG 4.42Å; M14-L18 WeakPolarHBondContact O-CB 3.46Å; M14-L18 PolarHBondContact O-N 2.72Å; M14-L18 VanDerWaalsContact O-N 3.09Å; G15-L18 PolarHBondContact O-N 3.34Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 2.73Å; L18-N21 PolarHBondContact O-N 3.09Å; L18-M22 HydrophobicContact CG-CE 4.34Å; L18-M22 WeakPolarHBondContact O-CE 3.29Å; L18-M22 WeakPolarHBondContact O-CG 3.42Å; L18-M22 PolarHBondContact O-N 3.08Å; L18-L74 HydrophobicContact CD2-CD2 4.32Å; L18-P139 HydrophobicContact CD1-CG 3.92Å; L18-I160 HydrophobicContact CD1-CD1 3.72Å; L18-I160 HydrophobicContact CG-CD1 4.36Å
19I98.8Very high97.9Very high0 Ų026.6 Ų26.60%016%0.157CC..Hα-helixtrans-61.6-48.2172.3-69.6164.1000110.7L8 L11 G15 Q16 N21 M22 N23 V29 A31 F42 V52L8-I19 HydrophobicContact CB-CD1 4.04Å; L8-I19 HydrophobicContact CB-CG1 3.82Å; L8-I19 HydrophobicContact CD1-CG1 4.12Å; L8-I19 HydrophobicContact CD2-CD1 3.89Å; L8-I19 HydrophobicContact CD2-CG1 4.17Å; L8-I19 HydrophobicContact CG-CD1 4.41Å; L8-I19 HydrophobicContact CG-CG1 4.25Å; L11-I19 HydrophobicContact CD2-CD1 3.37Å; G15-I19 WeakPolarHBondContact O-CD1 3.46Å; G15-I19 VanDerWaalsContact O-CG1 3.23Å; G15-I19 WeakPolarHBondContact O-CG1 3.34Å; G15-I19 PolarHBondContact O-N 3.33Å; Q16-I19 WeakPolarHBondContact O-CB 3.32Å; Q16-I19 PolarHBondContact O-N 3.22Å; I19-N21 VanDerWaalsContact C-N 3.32Å; I19-N21 PolarHBondContact O-N 3.35Å; I19-M22 HydrophobicContact CG1-CE 4.37Å; I19-M22 PolarHBondContact O-N 3.27Å; I19-N23 PolarHBondContact O-N 3.43Å; I19-V29 HydrophobicContact CB-CG1 4.35Å; I19-V29 HydrophobicContact CG1-CG1 3.93Å; I19-V29 HydrophobicContact CG2-CB 3.98Å; I19-V29 HydrophobicContact CG2-CG1 3.89Å; I19-V29 HydrophobicContact CG2-CG2 4.44Å; I19-A31 HydrophobicContact CD1-CB 3.99Å; I19-F42 HydrophobicContact CB-CE1 4.26Å; I19-F42 HydrophobicContact CB-CZ 4.14Å; I19-F42 HydrophobicContact CD1-CE1 3.94Å; I19-F42 HydrophobicContact CD1-CZ 4.4Å; I19-F42 HydrophobicContact CG2-CE1 3.84Å; I19-F42 HydrophobicContact CG2-CZ 3.96Å; I19-V52 HydrophobicContact CG2-CB 4.37Å; I19-V52 HydrophobicContact CG2-CG1 3.83Å; I19-V52 HydrophobicContact CG2-CG2 3.52Å
20L98.8Very high97.9Very high16 Ų1626.6 Ų26.68%0.08416%0.157CC..Hα-helixtrans-62.9-40.6179.1-65174.8000111.4Q16 N17 N23 D24 F42 E46 A47 T50Q16-L20 WeakPolarHBondContact O-CG 3.31Å; Q16-L20 PolarHBondContact O-N 3.34Å; N17-L20 PolarHBondContact O-N 3.34Å; L20-N23 WeakPolarHBondContact O-CB 3.27Å; L20-N23 PolarHBondContact O-N 3.18Å; L20-D24 VanDerWaalsContact O-CG 3.3Å; L20-D24 PolarHBondContact O-N 3.11Å; L20-F42 HydrophobicContact CD1-CE2 4.44Å; L20-F42 HydrophobicContact CD2-CE2 4.36Å; L20-F42 HydrophobicContact CD2-CZ 4.08Å; L20-F42 HydrophobicContact CG-CE2 4.29Å; L20-F42 HydrophobicContact CG-CZ 4.12Å; L20-E46 HydrophobicContact CD1-CB 4.27Å; L20-A47 HydrophobicContact CD2-CB 4.2Å; L20-T50 HydrophobicContact CD2-CG2 4.19Å
21N98.8Very high97.9Very high1 Ų126.4 Ų26.41%0.00516%0.155CC..Hα-helixtrans-59-49.2174-170.3-12.3000111.5N17 L18 I19 N23 D24 H25 A135 R136 P139 I160N17-N21 WeakPolarHBondContact O-CB 3.29Å; N17-N21 PolarHBondContact O-N 3.45Å; L18-N21 PolarHBondContact O-N 3.09Å; I19-N21 VanDerWaalsContact C-N 3.32Å; I19-N21 PolarHBondContact O-N 3.35Å; N21-N23 VanDerWaalsContact C-N 3.31Å; N21-N23 PolarHBondContact O-N 2.98Å; N21-D24 PolarHBondContact O-N 3.43Å; N21-H25 PolarHBondContact O-N 2.99Å; N21-H25 PolarHBondContact O-ND1 2.92Å; N21-H25 PolarHBondContact OD1-CE1 2.95Å; N21-H25 PolarHBondContact OD1-ND1 2.96Å; N21-A135 WeakPolarHBondContact CB-O 3.27Å; N21-A135 PolarHBondContact ND2-O 3.22Å; N21-R136 VanDerWaalsContact CB-O 3.27Å; N21-R136 WeakPolarHBondContact CB-O 3.45Å; N21-P139 WeakPolarHBondContact ND2-CD 3.04Å; N21-I160 PolarHBondContact ND2-O 3.47Å
22M98.8Very high98Very high0 Ų026.8 Ų26.80%016%0.157CC..Hα-helixtrans-59.8-40175.1-74.9-176.9-67.600112.6I6 L8 L18 I19 H25 G26 F27 V29 I72 I156 I160I6-M22 HydrophobicContact CD1-SD 4.29Å; I6-M22 HydrophobicContact CG2-CE 4.33Å; I6-M22 HydrophobicContact CG2-SD 3.68Å; L8-M22 HydrophobicContact CD1-CE 4.18Å; L18-M22 HydrophobicContact CG-CE 4.34Å; L18-M22 WeakPolarHBondContact O-CE 3.29Å; L18-M22 WeakPolarHBondContact O-CG 3.42Å; L18-M22 PolarHBondContact O-N 3.08Å; I19-M22 HydrophobicContact CG1-CE 4.37Å; I19-M22 PolarHBondContact O-N 3.27Å; M22-H25 PolarHBondContact O-N 3.11Å; M22-G26 PolarHBondContact O-N 2.86Å; M22-F27 HydrophobicContact CB-CB 4.46Å; M22-F27 HydrophobicContact CB-CD2 4.42Å; M22-F27 WeakPolarHBondContact O-CB 3.47Å; M22-F27 WeakPolarHBondContact O-CD2 3.32Å; M22-F27 PolarHBondContact O-N 3.03Å; M22-F27 VanDerWaalsContact O-N 3.1Å; M22-V29 HydrophobicContact CB-CG2 3.57Å; M22-V29 HydrophobicContact CE-CG1 4.02Å; M22-V29 HydrophobicContact CE-CG2 4.16Å; M22-V29 HydrophobicContact SD-CG2 4.45Å; M22-I72 HydrophobicContact CE-CD1 4.27Å; M22-I72 HydrophobicContact SD-CD1 4.17Å; M22-I156 HydrophobicContact CG-CG2 4.06Å; M22-I156 HydrophobicContact SD-CG2 3.86Å; M22-I160 HydrophobicContact CB-CG2 4.3Å; M22-I160 HydrophobicContact CG-CD1 3.72Å; M22-I160 HydrophobicContact CG-CG2 3.73Å; M22-I160 HydrophobicContact SD-CD1 4.37Å
23N98.7Very high98.1Very high14 Ų1424.9 Ų24.98%0.07514%0.138CC..Hα-helixtrans-61.8-45.2176.9169.883.5000112.5I19 L20 N21 H25 G26 F27 K51 V52I19-N23 PolarHBondContact O-N 3.43Å; L20-N23 WeakPolarHBondContact O-CB 3.27Å; L20-N23 PolarHBondContact O-N 3.18Å; N21-N23 VanDerWaalsContact C-N 3.31Å; N21-N23 PolarHBondContact O-N 2.98Å; N23-H25 PolarHBondContact O-N 3.3Å; N23-G26 PolarHBondContact O-N 2.84Å; N23-F27 WeakPolarHBondContact CA-O 3.48Å; N23-K51 WeakPolarHBondContact OD1-CB 3.49Å; N23-K51 PolarHBondContact OD1-N 2.88Å; N23-V52 HydrophobicContact CB-CG2 4.06Å
24D98.6Very high98.2Very high89 Ų8930.7 Ų30.748%0.47615%0.153SC..Hα-helixtrans-62.1-32.6179-70.2-0.8000111.6L20 N21 G26 R136L20-D24 VanDerWaalsContact O-CG 3.3Å; L20-D24 PolarHBondContact O-N 3.11Å; N21-D24 PolarHBondContact O-N 3.43Å; D24-G26 PolarHBondContact O-N 3.46Å; D24-R136 IonicContact OD1-NH2 3.62Å; D24-R136 IonicContact OD2-CZ 2.85Å; D24-R136 IonicContact OD2-NH1 3.32Å; D24-R136 PolarHBondContact OD2-NH1 3.32Å; D24-R136 IonicContact OD2-NH2 3.54Å; D24-R136 PolarHBondContact OD2-NH2 2.57Å
25H98.6Very high98.3Very high86 Ų8631.5 Ų31.540%0.39816%0.161SC..THydrogen-bonded Turntrans-82.412.6175-69.382.7000113.9N21 M22 N23 F27 G159 I160N21-H25 PolarHBondContact O-N 2.99Å; N21-H25 PolarHBondContact O-ND1 2.92Å; N21-H25 PolarHBondContact OD1-CE1 2.95Å; N21-H25 PolarHBondContact OD1-ND1 2.96Å; M22-H25 PolarHBondContact O-N 3.11Å; N23-H25 PolarHBondContact O-N 3.3Å; H25-F27 HydrophobicContact CB-CD2 4.05Å; H25-F27 HydrophobicContact CB-CE2 3.9Å; H25-G159 PolarHBondContact CD2-O 3.06Å; H25-G159 VanDerWaalsContact CD2-O 3.3Å; H25-G159 PolarHBondContact NE2-O 3.24Å; H25-I160 HydrophobicContact CB-CG2 4.11Å
26G98Very high98.2Very high39 Ų3934.1 Ų34.140%0.40218%0.177SC..THydrogen-bonded Turntrans99.1-13.317000000115M22 N23 D24 K51M22-G26 PolarHBondContact O-N 2.86Å; N23-G26 PolarHBondContact O-N 2.84Å; D24-G26 PolarHBondContact O-N 3.46Å; G26-K51 VanDerWaalsContact CA-NZ 3.33Å; G26-K51 PolarHBondContact O-NZ 2.89Å
27F98.6Very high98.2Very high32 Ų3235 Ų3514%0.1419%0.187CC..  trans-79.1140.1-172.8-55.2-67.5000112.6D5 M22 N23 H25 T155 I156D5-F27 HydrophobicContact CB-CB 4.36Å; D5-F27 HydrophobicContact CB-CD1 4.39Å; M22-F27 HydrophobicContact CB-CB 4.46Å; M22-F27 HydrophobicContact CB-CD2 4.42Å; M22-F27 WeakPolarHBondContact O-CB 3.47Å; M22-F27 WeakPolarHBondContact O-CD2 3.32Å; M22-F27 PolarHBondContact O-N 3.03Å; M22-F27 VanDerWaalsContact O-N 3.1Å; N23-F27 WeakPolarHBondContact CA-O 3.48Å; H25-F27 HydrophobicContact CB-CD2 4.05Å; H25-F27 HydrophobicContact CB-CE2 3.9Å; F27-T155 HydrophobicContact CZ-CG2 4.27Å; F27-I156 HydrophobicContact CD1-CD1 4.4Å; F27-I156 HydrophobicContact CD1-CG1 3.83Å; F27-I156 HydrophobicContact CD2-CG1 4.24Å; F27-I156 HydrophobicContact CD2-CG2 4.26Å; F27-I156 HydrophobicContact CE1-CG1 3.59Å; F27-I156 HydrophobicContact CE2-CB 4.22Å; F27-I156 HydrophobicContact CE2-CG1 4.04Å; F27-I156 HydrophobicContact CE2-CG2 4.25Å; F27-I156 HydrophobicContact CG-CG1 4.16Å; F27-I156 HydrophobicContact CZ-CB 4.21Å; F27-I156 HydrophobicContact CZ-CG1 3.71Å
28V98.8Very high98.2Very high23 Ų2338.1 Ų38.114%0.13920%0.199CC..  trans-85.5116170.6-179.90000108.1A4 D5 K51A4-V28 CarbonylContact C-O 3.56Å; A4-V28 WeakPolarHBondContact CA-O 3.41Å; A4-V28 HydrophobicContact CB-CG1 4.15Å; D5-V28 PolarHBondContact N-O 2.77Å; D5-V28 PolarHBondContact OD2-N 3.02Å; V28-K51 HydrophobicContact CG2-CB 4.38Å
29V98.8Very high98.2Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-107.8133.3-175.6-171.90000110.9I6 I19 M22 V52 V53I6-V29 HydrophobicContact CG2-CB 4.47Å; I6-V29 HydrophobicContact CG2-CG1 4.17Å; I6-V29 HydrophobicContact CG2-CG2 4.02Å; I6-V29 CarbonylContact O-C 3.59Å; I6-V29 WeakPolarHBondContact O-CA 3.45Å; I19-V29 HydrophobicContact CB-CG1 4.35Å; I19-V29 HydrophobicContact CG1-CG1 3.93Å; I19-V29 HydrophobicContact CG2-CB 3.98Å; I19-V29 HydrophobicContact CG2-CG1 3.89Å; I19-V29 HydrophobicContact CG2-CG2 4.44Å; M22-V29 HydrophobicContact CB-CG2 3.57Å; M22-V29 HydrophobicContact CE-CG1 4.02Å; M22-V29 HydrophobicContact CE-CG2 4.16Å; M22-V29 HydrophobicContact SD-CG2 4.45Å; V29-V52 WeakPolarHBondContact O-CA 3.31Å; V29-V53 PolarHBondContact O-N 2.72Å
30C98.8Very high98.1Very high0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-93.6110.8170.3-171.30000110.7A4 I6 A7 L8 V53 L65A4-C30 HydrophobicContact CB-CB 3.9Å; I6-C30 PolarHBondContact O-N 3.21Å; A7-C30 CarbonylContact C-O 3.47Å; A7-C30 WeakPolarHBondContact CA-O 3.44Å; A7-C30 HydrophobicContact CB-CB 4.16Å; A7-C30 WeakPolarHBondContact CB-O 3.29Å; L8-C30 PolarHBondContact N-O 3.12Å; C30-V53 CarbonylContact C-O 3.47Å; C30-V53 VanDerWaalsContact CA-O 3.25Å; C30-V53 WeakPolarHBondContact CA-O 3.5Å; C30-V53 HydrophobicContact CB-CG2 4.04Å; C30-L65 HydrophobicContact CB-CD2 4.42Å
31A98.8Very high98.1Very high0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-83.6132.7177.300000111L11 I19 F42 V52 V53 A55L11-A31 HydrophobicContact CD1-CB 4.47Å; L11-A31 HydrophobicContact CD2-CB 4.19Å; I19-A31 HydrophobicContact CD1-CB 3.99Å; A31-F42 HydrophobicContact CB-CD1 4.22Å; A31-F42 HydrophobicContact CB-CE1 4.32Å; A31-V52 HydrophobicContact CB-CG1 3.99Å; A31-V53 PolarHBondContact N-O 3.48Å; A31-A55 PolarHBondContact O-N 3.46Å; A31-A55 VanDerWaalsContact O-N 3.13Å
32F98.8Very high98.1Very high12 Ų1245.2 Ų45.25%0.05324%0.237CC..EExtended strand (participates in β ladder)trans-140150.3172.8-176.7-105.7000111.6L8 I9 G10 V36 A55 L58 M61 F84L8-F32 PolarHBondContact O-N 3.42Å; I9-F32 WeakPolarHBondContact CA-O 3.38Å; I9-F32 HydrophobicContact CD1-CD1 4.14Å; I9-F32 HydrophobicContact CG1-CB 4.36Å; I9-F32 HydrophobicContact CG1-CD1 4.05Å; I9-F32 HydrophobicContact CG2-CD1 4.03Å; G10-F32 PolarHBondContact N-O 3.16Å; F32-V36 HydrophobicContact CE2-CG1 4.37Å; F32-A55 HydrophobicContact CD2-CB 4.24Å; F32-A55 WeakPolarHBondContact CD2-O 3.37Å; F32-L58 HydrophobicContact CD1-CD2 3.67Å; F32-L58 HydrophobicContact CD1-CG 4.49Å; F32-L58 HydrophobicContact CE1-CD2 3.36Å; F32-L58 HydrophobicContact CE1-CG 3.75Å; F32-L58 HydrophobicContact CZ-CD2 4.09Å; F32-L58 HydrophobicContact CZ-CG 4.01Å; F32-M61 HydrophobicContact CB-CG 4.14Å; F32-M61 HydrophobicContact CB-SD 3.63Å; F32-M61 HydrophobicContact CD1-SD 4.31Å; F32-M61 HydrophobicContact CG-SD 4.09Å; F32-F84 HydrophobicContact CE1-CE1 4.19Å
33N98.3Very high98.1Very high20 Ų2047.6 Ų47.611%0.10725%0.25CC..  trans-148.7148.7173.8-169.571.6000110.7L11 T35 K38 V39L11-N33 HydrophobicContact CB-CB 4.24Å; L11-N33 HydrophobicContact CD1-CB 3.9Å; L11-N33 HydrophobicContact CG-CB 3.93Å; L11-N33 PolarHBondContact N-OD1 3.24Å; L11-N33 VanDerWaalsContact N-OD1 3.16Å; N33-T35 VanDerWaalsContact C-N 3.28Å; N33-T35 PolarHBondContact ND2-N 3.14Å; N33-T35 PolarHBondContact ND2-O 3.3Å; N33-T35 PolarHBondContact O-N 3.07Å; N33-K38 HydrophobicContact CB-CB 4.34Å; N33-V39 HydrophobicContact CB-CG2 4.09Å
34R95.1Very high98.1Very high186 Ų18649.7 Ų49.770%0.70227%0.269SS*.SBendtrans-55.8-43.3177.9-172177.669.4-179.42.6112.4F84R34-F84 HydrophobicContact CB-CZ 4.13Å
35T96.6Very high98Very high71 Ų7150.3 Ų50.344%0.43627%0.272SS..SBendtrans-89.5101.9169.8-54.20000107.2N33 S37 K38N33-T35 VanDerWaalsContact C-N 3.28Å; N33-T35 PolarHBondContact ND2-N 3.14Å; N33-T35 PolarHBondContact ND2-O 3.3Å; N33-T35 PolarHBondContact O-N 3.07Å; T35-S37 VanDerWaalsContact C-N 3.3Å; T35-S37 PolarHBondContact O-N 2.82Å; T35-K38 WeakPolarHBondContact O-CB 3.47Å; T35-K38 PolarHBondContact O-N 3.42Å
36V96.4Very high98Very high55 Ų5551 Ų5133%0.33328%0.276SS..THydrogen-bonded Turntrans-66.4-27.3-168.7-650000113.8F32 K38 V39F32-V36 HydrophobicContact CE2-CG1 4.37Å; V36-K38 PolarHBondContact O-N 3.36Å; V36-K38 VanDerWaalsContact O-N 3.1Å; V36-V39 WeakPolarHBondContact O-CA 3.37Å; V36-V39 WeakPolarHBondContact O-CB 3.49Å; V36-V39 PolarHBondContact O-N 3.11Å
37S97.3Very high98Very high57 Ų5749.4 Ų49.440%0.39926%0.258SS..Hα-helixtrans-57.1-29.7175.466.60000113.1T35 V39 D40 D41T35-S37 VanDerWaalsContact C-N 3.3Å; T35-S37 PolarHBondContact O-N 2.82Å; S37-V39 PolarHBondContact O-N 3.31Å; S37-D40 PolarHBondContact O-N 2.96Å; S37-D41 VanDerWaalsContact O-CG 3.26Å; S37-D41 PolarHBondContact O-N 3.45Å
38K97.9Very high98Very high96 Ų9655.5 Ų55.542%0.41729%0.285SS..Hα-helixtrans-64.7-25.2174.7-66.9-159.5173.6-164.10113.4L11 N33 T35 V36 F42L11-K38 HydrophobicContact CB-CB 4.5Å; L11-K38 HydrophobicContact CD1-CB 4.46Å; N33-K38 HydrophobicContact CB-CB 4.34Å; T35-K38 WeakPolarHBondContact O-CB 3.47Å; T35-K38 PolarHBondContact O-N 3.42Å; V36-K38 PolarHBondContact O-N 3.36Å; V36-K38 VanDerWaalsContact O-N 3.1Å; K38-F42 VanDerWaalsContact O-CB 3.28Å; K38-F42 WeakPolarHBondContact O-CB 3.37Å; K38-F42 PolarHBondContact O-N 2.71Å; K38-F42 VanDerWaalsContact O-N 3.16Å
39V98.5Very high97.9Very high0 Ų058.5 Ų58.50%032%0.321CS..Hα-helixtrans-69.7-47.6175-178.90000108.8L11 N33 V36 S37 F42 L43L11-V39 HydrophobicContact CD1-CB 4.32Å; L11-V39 HydrophobicContact CD1-CG2 3.85Å; N33-V39 HydrophobicContact CB-CG2 4.09Å; V36-V39 WeakPolarHBondContact O-CA 3.37Å; V36-V39 WeakPolarHBondContact O-CB 3.49Å; V36-V39 PolarHBondContact O-N 3.11Å; S37-V39 PolarHBondContact O-N 3.31Å; V39-F42 PolarHBondContact O-N 3.01Å; V39-L43 HydrophobicContact CG1-CD1 4.07Å; V39-L43 VanDerWaalsContact O-CG 3.28Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 2.82Å
40D97.6Very high97.9Very high77 Ų7760.7 Ų60.741%0.41233%0.334SS..Hα-helixtrans-62.8-45.6179.2-55.3-37.8000111S37 F42 L43 A44 Q56S37-D40 PolarHBondContact O-N 2.96Å; D40-F42 PolarHBondContact O-N 2.89Å; D40-L43 PolarHBondContact O-N 3.38Å; D40-A44 VanDerWaalsContact O-CB 3.3Å; D40-A44 WeakPolarHBondContact O-CB 3.49Å; D40-A44 PolarHBondContact O-N 3.41Å; D40-Q56 PolarHBondContact OD1-NE2 3.36Å
41D98.3Very high97.9Very high92 Ų9265.6 Ų65.649%0.49236%0.355SS..Hα-helixtrans-57.7-46.8177-66.9-25.7000111.6S37 A44 N45S37-D41 VanDerWaalsContact O-CG 3.26Å; S37-D41 PolarHBondContact O-N 3.45Å; D41-A44 PolarHBondContact O-N 3.24Å; D41-N45 WeakPolarHBondContact O-CB 3.4Å; D41-N45 PolarHBondContact O-N 2.9Å; D41-N45 PolarHBondContact O-ND2 2.99Å
42F98.6Very high97.9Very high1 Ų166.2 Ų66.20%0.00436%0.359CS..Hα-helixtrans-65.3-41.7-179.4177.3-122.2000112.2L11 Q16 I19 L20 A31 K38 V39 D40 N45 E46 A47 V52L11-F42 HydrophobicContact CD1-CB 4.32Å; L11-F42 HydrophobicContact CD1-CD1 4.45Å; L11-F42 HydrophobicContact CD2-CD1 4.25Å; L11-F42 HydrophobicContact CD2-CE1 4.47Å; Q16-F42 HydrophobicContact CB-CD2 4.09Å; Q16-F42 HydrophobicContact CB-CE2 3.61Å; Q16-F42 HydrophobicContact CB-CZ 4.17Å; Q16-F42 HydrophobicContact CG-CD2 3.67Å; Q16-F42 HydrophobicContact CG-CE2 3.71Å; Q16-F42 HydrophobicContact CG-CG 4.31Å; Q16-F42 HydrophobicContact CG-CZ 4.37Å; I19-F42 HydrophobicContact CB-CE1 4.26Å; I19-F42 HydrophobicContact CB-CZ 4.14Å; I19-F42 HydrophobicContact CD1-CE1 3.94Å; I19-F42 HydrophobicContact CD1-CZ 4.4Å; I19-F42 HydrophobicContact CG2-CE1 3.84Å; I19-F42 HydrophobicContact CG2-CZ 3.96Å; L20-F42 HydrophobicContact CD1-CE2 4.44Å; L20-F42 HydrophobicContact CD2-CE2 4.36Å; L20-F42 HydrophobicContact CD2-CZ 4.08Å; L20-F42 HydrophobicContact CG-CE2 4.29Å; L20-F42 HydrophobicContact CG-CZ 4.12Å; A31-F42 HydrophobicContact CB-CD1 4.22Å; A31-F42 HydrophobicContact CB-CE1 4.32Å; K38-F42 VanDerWaalsContact O-CB 3.28Å; K38-F42 WeakPolarHBondContact O-CB 3.37Å; K38-F42 PolarHBondContact O-N 2.71Å; K38-F42 VanDerWaalsContact O-N 3.16Å; V39-F42 PolarHBondContact O-N 3.01Å; D40-F42 PolarHBondContact O-N 2.89Å; F42-N45 CarbonylContact O-C 3.6Å; F42-N45 PolarHBondContact O-N 3.27Å; F42-E46 HydrophobicContact CD2-CB 3.85Å; F42-E46 HydrophobicContact CE2-CB 3.77Å; F42-E46 PolarHBondContact O-N 2.7Å; F42-A47 HydrophobicContact CD1-CB 3.97Å; F42-A47 HydrophobicContact CD2-CB 4.3Å; F42-A47 HydrophobicContact CE1-CB 3.68Å; F42-A47 HydrophobicContact CE2-CB 4.01Å; F42-A47 HydrophobicContact CG-CB 4.28Å; F42-A47 HydrophobicContact CZ-CB 3.71Å; F42-A47 WeakPolarHBondContact O-CB 3.31Å; F42-A47 PolarHBondContact O-N 2.86Å; F42-V52 HydrophobicContact CE1-CG1 4.13Å
43L98.5Very high97.8Very high49 Ų4967.8 Ų67.826%0.25737%0.37SS..Hα-helixtrans-68.8-33.6177.7-67.9174.9000112.9V39 D40 N45 A47 K48 V52V39-L43 HydrophobicContact CG1-CD1 4.07Å; V39-L43 VanDerWaalsContact O-CG 3.28Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 2.82Å; D40-L43 PolarHBondContact O-N 3.38Å; L43-N45 VanDerWaalsContact C-N 3.35Å; L43-A47 HydrophobicContact CD2-CB 4.39Å; L43-K48 WeakPolarHBondContact O-CA 3.44Å; L43-K48 PolarHBondContact O-N 2.91Å; L43-V52 HydrophobicContact CD2-CB 4.32Å; L43-V52 HydrophobicContact CD2-CG1 3.95Å
44A98.3Very high97.8Very high59 Ų5967.4 Ų67.449%0.48837%0.371SS..Hα-helixtrans-75.7-24.7178.300000112.9D40 D41 K48D40-A44 VanDerWaalsContact O-CB 3.3Å; D40-A44 WeakPolarHBondContact O-CB 3.49Å; D40-A44 PolarHBondContact O-N 3.41Å; D41-A44 PolarHBondContact O-N 3.24Å; A44-K48 WeakPolarHBondContact O-CD 3.22Å
45N98.3Very high98Very high101 Ų10158.6 Ų58.654%0.5434%0.337SS..THydrogen-bonded Turntrans-115.2-97.6-175.3-60.1-63000111.8D41 F42 L43 A47 K48D41-N45 WeakPolarHBondContact O-CB 3.4Å; D41-N45 PolarHBondContact O-N 2.9Å; D41-N45 PolarHBondContact O-ND2 2.99Å; F42-N45 CarbonylContact O-C 3.6Å; F42-N45 PolarHBondContact O-N 3.27Å; L43-N45 VanDerWaalsContact C-N 3.35Å; N45-A47 VanDerWaalsContact C-N 3.28Å; N45-A47 PolarHBondContact O-N 3.33Å; N45-K48 WeakPolarHBondContact O-CB 3.49Å; N45-K48 PolarHBondContact O-N 2.96Å
46E97.9Very high98Very high102 Ų10259.4 Ų59.448%0.47734%0.336SS..THydrogen-bonded Turntrans-63.5-30.7-166.7-5979-172.500113.4L20 F42L20-E46 HydrophobicContact CD1-CB 4.27Å; F42-E46 HydrophobicContact CD2-CB 3.85Å; F42-E46 HydrophobicContact CE2-CB 3.77Å; F42-E46 PolarHBondContact O-N 2.7Å
47A98.3Very high98.1Very high4 Ų459.3 Ų59.33%0.03334%0.338CS..THydrogen-bonded Turntrans-978.6177.100000113.9L20 F42 L43 N45 G49 T50 V52L20-A47 HydrophobicContact CD2-CB 4.2Å; F42-A47 HydrophobicContact CD1-CB 3.97Å; F42-A47 HydrophobicContact CD2-CB 4.3Å; F42-A47 HydrophobicContact CE1-CB 3.68Å; F42-A47 HydrophobicContact CE2-CB 4.01Å; F42-A47 HydrophobicContact CG-CB 4.28Å; F42-A47 HydrophobicContact CZ-CB 3.71Å; F42-A47 WeakPolarHBondContact O-CB 3.31Å; F42-A47 PolarHBondContact O-N 2.86Å; L43-A47 HydrophobicContact CD2-CB 4.39Å; N45-A47 VanDerWaalsContact C-N 3.28Å; N45-A47 PolarHBondContact O-N 3.33Å; A47-G49 PolarHBondContact O-N 2.7Å; A47-T50 WeakPolarHBondContact O-CB 3.33Å; A47-T50 WeakPolarHBondContact O-CG2 3.38Å; A47-T50 PolarHBondContact O-N 2.89Å; A47-T50 VanDerWaalsContact O-N 3.12Å; A47-T50 PolarHBondContact O-OG1 3.04Å; A47-V52 HydrophobicContact CB-CB 4.19Å; A47-V52 HydrophobicContact CB-CG1 4.47Å; A47-V52 HydrophobicContact CB-CG2 4.36Å
48K98.3Very high98.2Very high161 Ų16157.9 Ų57.970%0.733%0.325SS*.THydrogen-bonded Turntrans-61.3128.7178.8-174177.8-177.1171.70110.9L43 A44 N45 T50L43-K48 WeakPolarHBondContact O-CA 3.44Å; L43-K48 PolarHBondContact O-N 2.91Å; A44-K48 WeakPolarHBondContact O-CD 3.22Å; N45-K48 WeakPolarHBondContact O-CB 3.49Å; N45-K48 PolarHBondContact O-N 2.96Å; K48-T50 VanDerWaalsContact C-N 3.25Å; K48-T50 PolarHBondContact O-N 2.7Å
49G97.4Very high98.2Very high86 Ų8660.9 Ų60.989%0.88734%0.339SS*.THydrogen-bonded Turntrans78.64-179.400000114.7A47A47-G49 PolarHBondContact O-N 2.7Å
50T98.4Very high98.2Very high45 Ų4563.8 Ų63.828%0.27635%0.352SS..SBendtrans-86.9178.7173.273.30000111.6L20 A47 K48 V52L20-T50 HydrophobicContact CD2-CG2 4.19Å; A47-T50 WeakPolarHBondContact O-CB 3.33Å; A47-T50 WeakPolarHBondContact O-CG2 3.38Å; A47-T50 PolarHBondContact O-N 2.89Å; A47-T50 VanDerWaalsContact O-N 3.12Å; A47-T50 PolarHBondContact O-OG1 3.04Å; K48-T50 VanDerWaalsContact C-N 3.25Å; K48-T50 PolarHBondContact O-N 2.7Å; T50-V52 VanDerWaalsContact C-N 3.28Å; T50-V52 WeakPolarHBondContact OG1-CB 3.49Å; T50-V52 VanDerWaalsContact OG1-CG2 3.26Å; T50-V52 WeakPolarHBondContact OG1-CG2 3.28Å; T50-V52 PolarHBondContact OG1-N 3.41Å
51K97.7Very high98.3Very high103 Ų10360.1 Ų60.145%0.44833%0.333SS..SBendtrans-87.64.8172.8-63.1171.3-71.3-176.40112.8N23 G26 V28N23-K51 WeakPolarHBondContact OD1-CB 3.49Å; N23-K51 PolarHBondContact OD1-N 2.88Å; G26-K51 VanDerWaalsContact CA-NZ 3.33Å; G26-K51 PolarHBondContact O-NZ 2.89Å; V28-K51 HydrophobicContact CG2-CB 4.38Å
52V98.4Very high98.3Very high13 Ų1356.1 Ų56.18%0.07931%0.311CS..  trans-67.8137.7-178.8-179.30000109.7I19 N23 V29 A31 F42 L43 A47 T50I19-V52 HydrophobicContact CG2-CB 4.37Å; I19-V52 HydrophobicContact CG2-CG1 3.83Å; I19-V52 HydrophobicContact CG2-CG2 3.52Å; N23-V52 HydrophobicContact CB-CG2 4.06Å; V29-V52 WeakPolarHBondContact O-CA 3.31Å; A31-V52 HydrophobicContact CB-CG1 3.99Å; F42-V52 HydrophobicContact CE1-CG1 4.13Å; L43-V52 HydrophobicContact CD2-CB 4.32Å; L43-V52 HydrophobicContact CD2-CG1 3.95Å; A47-V52 HydrophobicContact CB-CB 4.19Å; A47-V52 HydrophobicContact CB-CG1 4.47Å; A47-V52 HydrophobicContact CB-CG2 4.36Å; T50-V52 VanDerWaalsContact C-N 3.28Å; T50-V52 WeakPolarHBondContact OG1-CB 3.49Å; T50-V52 VanDerWaalsContact OG1-CG2 3.26Å; T50-V52 WeakPolarHBondContact OG1-CG2 3.28Å; T50-V52 PolarHBondContact OG1-N 3.41Å
53V98.4Very high98.2Very high46 Ų4659.4 Ų59.428%0.27933%0.334SS..EExtended strand (participates in β ladder)trans-118.2142.8175.7-61.90000110.2A4 V29 C30 A31 K64A4-V53 HydrophobicContact CB-CG2 4.47Å; V29-V53 PolarHBondContact O-N 2.72Å; C30-V53 CarbonylContact C-O 3.47Å; C30-V53 VanDerWaalsContact CA-O 3.25Å; C30-V53 WeakPolarHBondContact CA-O 3.5Å; C30-V53 HydrophobicContact CB-CG2 4.04Å; A31-V53 PolarHBondContact N-O 3.48Å; V53-K64 HydrophobicContact CG2-CD 4.39Å
54G97.9Very high98.2Very high12 Ų1259.4 Ų59.412%0.12433%0.332CS..EExtended strand (participates in β ladder)trans-89.7164.6174.300000113K64G54-K64 PolarHBondContact O-NZ 3.13Å
55A98.3Very high98.3Very high0 Ų056.8 Ų56.80%031%0.31CS..  trans-133.5146.4163.500000110.1A31 F32 E60 M61A31-A55 PolarHBondContact O-N 3.46Å; A31-A55 VanDerWaalsContact O-N 3.13Å; F32-A55 HydrophobicContact CD2-CB 4.24Å; F32-A55 WeakPolarHBondContact CD2-O 3.37Å; A55-E60 HydrophobicContact CB-CB 4.34Å; A55-E60 HydrophobicContact CB-CG 4.27Å; A55-M61 HydrophobicContact CB-CB 3.65Å; A55-M61 HydrophobicContact CB-CG 4.37Å
56Q98Very high98.3Very high89 Ų8955.9 Ų55.942%0.41630%0.301SS..SBendtrans-99.2-8.1-179.7-60.5-63.1-23.600112.3D40 E60D40-Q56 PolarHBondContact OD1-NE2 3.36Å; Q56-E60 WeakPolarHBondContact CB-OE2 3.41Å; Q56-E60 PolarHBondContact N-OE2 2.93Å
57S98.4Very high98.3Very high52 Ų5257.3 Ų57.336%0.36431%0.306SS..SBendtrans-147.8159.3172.368.40000111.8K59 E60 M61S57-K59 VanDerWaalsContact C-N 3.28Å; S57-K59 PolarHBondContact O-N 3Å; S57-E60 PolarHBondContact O-N 3.03Å; S57-E60 VanDerWaalsContact OG-CB 3.27Å; S57-E60 WeakPolarHBondContact OG-CB 3.46Å; S57-E60 PolarHBondContact OG-N 3.28Å; S57-E60 VanDerWaalsContact OG-N 3.09Å; S57-M61 PolarHBondContact O-N 2.97Å
58L98.4Very high98.3Very high27 Ų2758.9 Ų58.914%0.14132%0.316CS..Hα-helixtrans-58.7-40.6173.8-73.7173.7000111.9I9 F32 E60 M61 V62 F84 K87 L88 L91I9-L58 HydrophobicContact CD1-CD2 3.75Å; F32-L58 HydrophobicContact CD1-CD2 3.67Å; F32-L58 HydrophobicContact CD1-CG 4.49Å; F32-L58 HydrophobicContact CE1-CD2 3.36Å; F32-L58 HydrophobicContact CE1-CG 3.75Å; F32-L58 HydrophobicContact CZ-CD2 4.09Å; F32-L58 HydrophobicContact CZ-CG 4.01Å; L58-E60 PolarHBondContact O-N 3.09Å; L58-M61 HydrophobicContact CD2-CE 4.22Å; L58-M61 WeakPolarHBondContact O-CB 3.47Å; L58-M61 PolarHBondContact O-N 3.39Å; L58-V62 WeakPolarHBondContact O-CB 3.32Å; L58-V62 VanDerWaalsContact O-CG2 3.29Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.09Å; L58-F84 HydrophobicContact CD1-CD1 4.46Å; L58-F84 HydrophobicContact CD2-CD1 4.32Å; L58-F84 HydrophobicContact CD2-CE1 4.23Å; L58-K87 HydrophobicContact CD1-CB 3.66Å; L58-K87 HydrophobicContact CD1-CD 4.18Å; L58-L88 HydrophobicContact CD2-CD2 4.08Å; L58-L91 HydrophobicContact CB-CD1 3.99Å
59K98.4Very high98.3Very high160 Ų16052.9 Ų52.970%0.69629%0.289SS*.Hα-helixtrans-63-42.9177.9-173.1176.1-178.41780111.6S57 S63S57-K59 VanDerWaalsContact C-N 3.28Å; S57-K59 PolarHBondContact O-N 3Å; K59-S63 WeakPolarHBondContact O-CB 3.49Å; K59-S63 PolarHBondContact O-N 2.97Å; K59-S63 VanDerWaalsContact O-N 3.07Å
60E98.3Very high98.4Very high61 Ų6150.6 Ų50.629%0.28525%0.253SS..Hα-helixtrans-63.2-46.9174.9-174-168.6168.300111.1A55 Q56 S57 L58 V62 S63 K64A55-E60 HydrophobicContact CB-CB 4.34Å; A55-E60 HydrophobicContact CB-CG 4.27Å; Q56-E60 WeakPolarHBondContact CB-OE2 3.41Å; Q56-E60 PolarHBondContact N-OE2 2.93Å; S57-E60 PolarHBondContact O-N 3.03Å; S57-E60 VanDerWaalsContact OG-CB 3.27Å; S57-E60 WeakPolarHBondContact OG-CB 3.46Å; S57-E60 PolarHBondContact OG-N 3.28Å; S57-E60 VanDerWaalsContact OG-N 3.09Å; L58-E60 PolarHBondContact O-N 3.09Å; E60-V62 PolarHBondContact O-N 3.37Å; E60-S63 WeakPolarHBondContact O-CB 3.31Å; E60-S63 PolarHBondContact O-N 3.44Å; E60-S63 VanDerWaalsContact O-N 3.11Å; E60-S63 PolarHBondContact O-OG 3.27Å; E60-K64 PolarHBondContact O-N 2.86Å; E60-K64 VanDerWaalsContact OE1-CE 3.23Å; E60-K64 WeakPolarHBondContact OE1-CE 3.25Å; E60-K64 IonicContact OE1-NZ 3.51Å; E60-K64 PolarHBondContact OE1-NZ 2.88Å
61M98.7Very high98.4Very high0 Ų048.5 Ų48.50%024%0.24CC..Hα-helixtrans-55.2-50.8177.5-175.4-159.369.800111.1A7 I9 F32 A55 S57 L58 S63 K64 I71 L88A7-M61 HydrophobicContact CB-CE 4.34Å; A7-M61 HydrophobicContact CB-CG 3.82Å; A7-M61 HydrophobicContact CB-SD 3.68Å; I9-M61 HydrophobicContact CD1-CE 3.97Å; I9-M61 HydrophobicContact CD1-SD 3.93Å; I9-M61 HydrophobicContact CG1-CE 4.4Å; I9-M61 HydrophobicContact CG1-SD 3.76Å; F32-M61 HydrophobicContact CB-CG 4.14Å; F32-M61 HydrophobicContact CB-SD 3.63Å; F32-M61 HydrophobicContact CD1-SD 4.31Å; F32-M61 HydrophobicContact CG-SD 4.09Å; A55-M61 HydrophobicContact CB-CB 3.65Å; A55-M61 HydrophobicContact CB-CG 4.37Å; S57-M61 PolarHBondContact O-N 2.97Å; L58-M61 HydrophobicContact CD2-CE 4.22Å; L58-M61 WeakPolarHBondContact O-CB 3.47Å; L58-M61 PolarHBondContact O-N 3.39Å; M61-S63 VanDerWaalsContact C-N 3.27Å; M61-S63 PolarHBondContact O-N 3.14Å; M61-K64 PolarHBondContact O-N 3.42Å; M61-K64 VanDerWaalsContact O-N 3.11Å; M61-I71 HydrophobicContact CE-CD1 3.77Å; M61-I71 HydrophobicContact CE-CG1 4.27Å; M61-I71 HydrophobicContact CE-CG2 4.02Å; M61-L88 HydrophobicContact CE-CD2 3.84Å
62V98.6Very high98.5Very high8 Ų843.8 Ų43.85%0.04822%0.22CC..Hα-helixtrans-59.7-36.3178.3168.90000112L58 E60 K64 L65 R69 I71 L88 L91 L92L58-V62 WeakPolarHBondContact O-CB 3.32Å; L58-V62 VanDerWaalsContact O-CG2 3.29Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.09Å; E60-V62 PolarHBondContact O-N 3.37Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 2.84Å; V62-L65 PolarHBondContact O-N 3.34Å; V62-R69 PolarHBondContact O-NE 3.48Å; V62-R69 VanDerWaalsContact O-NE 3.12Å; V62-I71 HydrophobicContact CG2-CD1 4.28Å; V62-L88 HydrophobicContact CG2-CD2 4.22Å; V62-L91 HydrophobicContact CG1-CB 4.23Å; V62-L91 VanDerWaalsContact CG1-O 3.31Å; V62-L91 WeakPolarHBondContact CG1-O 3.29Å; V62-L91 HydrophobicContact CG2-CB 4.12Å; V62-L91 HydrophobicContact CG2-CD1 4.36Å; V62-L92 HydrophobicContact CG1-CD2 4.43Å; V62-L92 HydrophobicContact CG2-CD2 4.33Å
63S98.3Very high98.5Very high69 Ų6943.1 Ų43.148%0.48322%0.216SC..Hα-helixtrans-69.6-19.9178.679.60000114.5K59 E60 M61K59-S63 WeakPolarHBondContact O-CB 3.49Å; K59-S63 PolarHBondContact O-N 2.97Å; K59-S63 VanDerWaalsContact O-N 3.07Å; E60-S63 WeakPolarHBondContact O-CB 3.31Å; E60-S63 PolarHBondContact O-N 3.44Å; E60-S63 VanDerWaalsContact O-N 3.11Å; E60-S63 PolarHBondContact O-OG 3.27Å; M61-S63 VanDerWaalsContact C-N 3.27Å; M61-S63 PolarHBondContact O-N 3.14Å
64K98.5Very high98.5Very high50 Ų5042.1 Ų42.122%0.21721%0.209CC..THydrogen-bonded Turntrans-86.8-11.6-179.2-70.5-179.3-178.8179.90113.3A2 Q3 A4 V53 G54 E60 M61 V62A2-K64 CarbonylContact C-O 3.57Å; A2-K64 WeakPolarHBondContact CA-O 3.42Å; Q3-K64 PolarHBondContact N-O 3.29Å; A4-K64 PolarHBondContact N-O 2.95Å; V53-K64 HydrophobicContact CG2-CD 4.39Å; G54-K64 PolarHBondContact O-NZ 3.13Å; E60-K64 PolarHBondContact O-N 2.86Å; E60-K64 VanDerWaalsContact OE1-CE 3.23Å; E60-K64 WeakPolarHBondContact OE1-CE 3.25Å; E60-K64 IonicContact OE1-NZ 3.51Å; E60-K64 PolarHBondContact OE1-NZ 2.88Å; M61-K64 PolarHBondContact O-N 3.42Å; M61-K64 VanDerWaalsContact O-N 3.11Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 2.84Å
65L98.7Very high98.4Very high4 Ų442.9 Ų42.92%0.02121%0.211CC..BIsolated β-bridgetrans-89.4137.2-172.2-65.2172.4000113.3A2 A4 I6 A7 C30 V62 R69 I71A2-L65 WeakPolarHBondContact CB-O 3.49Å; A4-L65 HydrophobicContact CB-CD2 4Å; I6-L65 VanDerWaalsContact C-CD2 3.41Å; A7-L65 HydrophobicContact CB-CD1 3.86Å; A7-L65 HydrophobicContact CB-CD2 3.83Å; A7-L65 HydrophobicContact CB-CG 4.33Å; C30-L65 HydrophobicContact CB-CD2 4.42Å; V62-L65 PolarHBondContact O-N 3.34Å; L65-R69 HydrophobicContact CB-CB 4.14Å; L65-R69 HydrophobicContact CB-CG 3.9Å; L65-R69 HydrophobicContact CD1-CB 4.1Å; L65-I71 HydrophobicContact CD1-CD1 4.02Å; L65-I71 HydrophobicContact CD1-CG1 3.6Å
66K98.6Very high98.2Very high81 Ų8151.2 Ų51.235%0.35225%0.247SC..PPolyproline II helixtrans-64147.6165.8-63.6172.8-170.7170.30109.9Q3 A4 D5 P68 R69Q3-K66 VanDerWaalsContact O-CE 3.25Å; Q3-K66 WeakPolarHBondContact O-CE 3.2Å; A4-K66 WeakPolarHBondContact O-CG 3.13Å; A4-K66 PolarHBondContact O-N 2.93Å; D5-K66 WeakPolarHBondContact OD1-CD 3.41Å; D5-K66 WeakPolarHBondContact OD1-CE 3.49Å; D5-K66 IonicContact OD1-NZ 2.72Å; D5-K66 PolarHBondContact OD1-NZ 3.44Å; D5-K66 IonicContact OD2-NZ 3.8Å; K66-P68 CarbonylContact O-C 3.6Å; K66-R69 WeakPolarHBondContact O-CA 3.35Å; K66-R69 PolarHBondContact O-N 2.97Å
67K98.1Very high98Very high133 Ų13348.8 Ų48.858%0.57824%0.242SC*.SBendtrans-87.2147.6174.6-67.9-172.768164.10111.6R69 D93K67-R69 HydrophobicContact CG-CG 4.44Å; K67-D93 VanDerWaalsContact CE-OD2 3.31Å; K67-D93 WeakPolarHBondContact CE-OD2 3.33Å; K67-D93 IonicContact NZ-OD2 3.69Å; K67-D93 PolarHBondContact NZ-OD2 2.66Å
68P98.4Very high97.8Very high36 Ų3647.3 Ų47.323%0.23424%0.236CC..SBendcis-62.1136.3-1428.1-33.6000110.2K66 G95 I97 H152K66-P68 CarbonylContact O-C 3.6Å; P68-G95 WeakPolarHBondContact CB-O 3.25Å; P68-I97 HydrophobicContact CG-CD1 4.44Å; P68-H152 HydrophobicContact CG-CB 4.26Å
69R98.8Very high97.7Very high35 Ų3551.9 Ų51.913%0.13226%0.256CS..PPolyproline II helixtrans-66.1139.6-175.9-59.6-175.2-177.582.8-2.9109.1V62 L65 K66 K67 L92 D93 D96 I97V62-R69 PolarHBondContact O-NE 3.48Å; V62-R69 VanDerWaalsContact O-NE 3.12Å; L65-R69 HydrophobicContact CB-CB 4.14Å; L65-R69 HydrophobicContact CB-CG 3.9Å; L65-R69 HydrophobicContact CD1-CB 4.1Å; K66-R69 WeakPolarHBondContact O-CA 3.35Å; K66-R69 PolarHBondContact O-N 2.97Å; K67-R69 HydrophobicContact CG-CG 4.44Å; R69-L92 HydrophobicContact CB-CD2 4.43Å; R69-D93 IonicContact CZ-OD2 2.74Å; R69-D93 VanDerWaalsContact NH1-CG 3.34Å; R69-D93 IonicContact NH1-OD2 3.83Å; R69-D93 PolarHBondContact NH1-OD2 2.97Å; R69-D93 IonicContact NH2-OD2 3.92Å; R69-D93 PolarHBondContact NH2-OD2 3.18Å; R69-D96 HydrophobicContact CB-CB 4.13Å; R69-D96 WeakPolarHBondContact CD-OD2 3.47Å; R69-D96 WeakPolarHBondContact CG-OD2 3.39Å; R69-D96 IonicContact CZ-OD2 2.73Å; R69-D96 PolarHBondContact N-OD1 3.02Å; R69-D96 IonicContact NE-OD2 3.1Å; R69-D96 IonicContact NH1-OD1 3.81Å; R69-D96 IonicContact NH1-OD2 2.72Å; R69-D96 PolarHBondContact NH1-OD2 3.5Å; R69-I97 WeakPolarHBondContact O-CA 3.33Å; R69-I97 PolarHBondContact O-N 2.81Å
70R98.9Very high97.7Very high39 Ų3945.5 Ų45.515%0.14723%0.233CC..EExtended strand (participates in β ladder)trans-122.9120.1-179.8-66.9163.5-66.6-162.2-1.7108.4D5 I6 A7 I97 I99 H152 I153D5-R70 PolarHBondContact O-NE 3.3Å; D5-R70 PolarHBondContact O-NH2 2.91Å; I6-R70 WeakPolarHBondContact CA-O 3.3Å; I6-R70 HydrophobicContact CB-CB 4.34Å; I6-R70 HydrophobicContact CD1-CB 4.08Å; I6-R70 HydrophobicContact CG1-CB 3.79Å; I6-R70 WeakPolarHBondContact CG1-O 3.47Å; A7-R70 PolarHBondContact N-O 3.16Å; R70-I97 HydrophobicContact CG-CB 4.38Å; R70-I97 HydrophobicContact CG-CD1 4.04Å; R70-I99 HydrophobicContact CB-CD1 4.49Å; R70-H152 VanDerWaalsContact CD-O 3.31Å; R70-H152 WeakPolarHBondContact CD-O 3.1Å; R70-H152 PolarHBondContact NH1-O 3.41Å; R70-I153 HydrophobicContact CG-CG2 4.25Å
71I98.9Very high97.7Very high0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-131.7114.2-174.8-54.8174.6000109.1A7 I9 M61 V62 L65 L73 L88 L92 I97 I99A7-I71 HydrophobicContact CB-CG1 4.34Å; A7-I71 HydrophobicContact CB-CG2 4.38Å; I9-I71 HydrophobicContact CD1-CG2 3.96Å; I9-I71 HydrophobicContact CG1-CG2 4.07Å; M61-I71 HydrophobicContact CE-CD1 3.77Å; M61-I71 HydrophobicContact CE-CG1 4.27Å; M61-I71 HydrophobicContact CE-CG2 4.02Å; V62-I71 HydrophobicContact CG2-CD1 4.28Å; L65-I71 HydrophobicContact CD1-CD1 4.02Å; L65-I71 HydrophobicContact CD1-CG1 3.6Å; I71-L73 HydrophobicContact CG2-CD2 4.23Å; I71-L88 HydrophobicContact CD1-CD2 3.88Å; I71-L88 HydrophobicContact CG2-CD1 4.19Å; I71-L92 HydrophobicContact CD1-CD2 3.77Å; I71-I97 PolarHBondContact N-O 3.13Å; I71-I99 PolarHBondContact O-N 3.17Å
72I98.9Very high97.7Very high4 Ų443.6 Ų43.62%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-87.1130.3172.6-59.4173.2000109.1I6 A7 L8 I9 M22 I99 F157I6-I72 HydrophobicContact CD1-CD1 3.62Å; I6-I72 HydrophobicContact CD1-CG1 3.85Å; I6-I72 HydrophobicContact CG1-CD1 4.35Å; I6-I72 HydrophobicContact CG1-CG1 4.32Å; A7-I72 PolarHBondContact O-N 2.93Å; L8-I72 CarbonylContact C-O 3.5Å; L8-I72 WeakPolarHBondContact CA-O 3.45Å; L8-I72 HydrophobicContact CB-CB 4.39Å; L8-I72 HydrophobicContact CD1-CB 4.24Å; L8-I72 HydrophobicContact CD1-CG2 4Å; L8-I72 HydrophobicContact CG-CB 4.17Å; L8-I72 HydrophobicContact CG-CG2 4.2Å; I9-I72 PolarHBondContact N-O 3.14Å; M22-I72 HydrophobicContact CE-CD1 4.27Å; M22-I72 HydrophobicContact SD-CD1 4.17Å; I72-I99 CarbonylContact C-O 3.3Å; I72-I99 VanDerWaalsContact CA-O 3.29Å; I72-I99 WeakPolarHBondContact CA-O 3.46Å; I72-I99 HydrophobicContact CG1-CB 4.21Å; I72-I99 HydrophobicContact CG1-CD1 4.26Å; I72-F157 HydrophobicContact CD1-CE2 4.21Å; I72-F157 HydrophobicContact CD1-CZ 4.41Å
73L98.8Very high97.7Very high0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-99.6115.2167.4-52.5-176.7000108I9 I71 V75 V81 F84 I85 L88 I98 I99 G101I9-L73 HydrophobicContact CB-CD2 3.95Å; I9-L73 HydrophobicContact CD1-CD2 3.68Å; I9-L73 HydrophobicContact CG1-CD2 4.06Å; I71-L73 HydrophobicContact CG2-CD2 4.23Å; L73-V75 HydrophobicContact CB-CG2 4.5Å; L73-V81 HydrophobicContact CD1-CG1 4.07Å; L73-F84 HydrophobicContact CD1-CB 4.2Å; L73-F84 HydrophobicContact CD2-CB 4.24Å; L73-I85 HydrophobicContact CD1-CG1 4.04Å; L73-L88 HydrophobicContact CD2-CD1 3.96Å; L73-I98 HydrophobicContact CD1-CG2 3.8Å; L73-I98 HydrophobicContact CG-CG2 4.06Å; L73-I99 PolarHBondContact N-O 3.21Å; L73-G101 PolarHBondContact O-N 2.93Å
74L97.9Very high97.7Very high24 Ų2443.6 Ų43.613%0.12622%0.218CC..  trans-122.160.4174-151.560000110L8 I9 M14 L18 G101L8-L74 HydrophobicContact CD1-CB 4.5Å; L8-L74 HydrophobicContact CD1-CD2 4.43Å; L8-L74 HydrophobicContact CD2-CB 4.27Å; L8-L74 HydrophobicContact CG-CB 4.49Å; I9-L74 PolarHBondContact O-N 3.39Å; M14-L74 HydrophobicContact CB-CD2 3.95Å; L18-L74 HydrophobicContact CD2-CD2 4.32Å; L74-G101 WeakPolarHBondContact CD1-O 3.42Å
75V96.1Very high97.7Very high29 Ų2941.9 Ų41.918%0.17621%0.211CC..SBendtrans-112.8176.5-174.7-59.60000110.7I9 L73 A77 V81 F84I9-V75 HydrophobicContact CG2-CG1 4.12Å; L73-V75 HydrophobicContact CB-CG2 4.5Å; V75-A77 PolarHBondContact O-N 3Å; V75-V81 HydrophobicContact CG2-CG2 3.78Å; V75-F84 HydrophobicContact CG1-CD2 4.05Å; V75-F84 HydrophobicContact CG1-CE2 3.78Å; V75-F84 HydrophobicContact CG2-CD2 4.25Å
76K93.9Very high97.7Very high175 Ų17548 Ų4876%0.76124%0.24SC*.  trans-59.9127.7174.2-176.7-178.6170.271.20109.4A80K76-A80 WeakPolarHBondContact O-CB 3.14Å
77A93.6Very high97.7Very high37 Ų3749.8 Ų49.831%0.30625%0.248SC..SBendtrans-58.4154.8175.800000112.6V75 N103V75-A77 PolarHBondContact O-N 3Å; A77-N103 WeakPolarHBondContact CB-O 3.5Å
78G94.5Very high97.8Very high22 Ų2243.4 Ų43.423%0.22722%0.22CC..SBendtrans91.9-141.5-175.800000112A80 V81G78-A80 PolarHBondContact O-N 2.96Å; G78-V81 WeakPolarHBondContact O-CB 3.48Å; G78-V81 PolarHBondContact O-N 2.84Å
79Q97.3Very high97.8Very high123 Ų12343.2 Ų43.258%0.57522%0.218SC*.Hα-helixtrans-50.5-37-170.5-168.961.149.200114.6V81 D82 D83Q79-V81 PolarHBondContact O-N 2.8Å; Q79-D82 PolarHBondContact O-N 2.99Å; Q79-D82 VanDerWaalsContact O-N 3.17Å; Q79-D83 PolarHBondContact NE2-OD1 2.84Å; Q79-D83 PolarHBondContact O-N 2.93Å
80A97.8Very high97.8Very high26 Ų2646.5 Ų46.522%0.21524%0.244CC..Hα-helixtrans-63.6-28.3-179.500000113K76 G78 F84K76-A80 WeakPolarHBondContact O-CB 3.14Å; G78-A80 PolarHBondContact O-N 2.96Å; A80-F84 WeakPolarHBondContact O-CD2 3.38Å; A80-F84 PolarHBondContact O-N 3.3Å
81V98.6Very high97.8Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-70-49.6173.3178.50000110L73 V75 G78 Q79 D83 F84 I85 D100L73-V81 HydrophobicContact CD1-CG1 4.07Å; V75-V81 HydrophobicContact CG2-CG2 3.78Å; G78-V81 WeakPolarHBondContact O-CB 3.48Å; G78-V81 PolarHBondContact O-N 2.84Å; Q79-V81 PolarHBondContact O-N 2.8Å; V81-D83 PolarHBondContact O-N 3.42Å; V81-F84 PolarHBondContact O-N 3.49Å; V81-I85 HydrophobicContact CG1-CD1 3.88Å; V81-I85 HydrophobicContact CG1-CG1 4.49Å; V81-I85 WeakPolarHBondContact O-CG1 3.34Å; V81-I85 PolarHBondContact O-N 2.8Å; V81-D100 HydrophobicContact CG1-CB 4.43Å
82D98.7Very high97.7Very high21 Ų2148.3 Ų48.311%0.11226%0.256CS..Hα-helixtrans-60.9-43.5179.6-67.4-59.7000111.2Q79 F84 I85 E86 R111 R112Q79-D82 PolarHBondContact O-N 2.99Å; Q79-D82 VanDerWaalsContact O-N 3.17Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.09Å; D82-I85 WeakPolarHBondContact O-CB 3.22Å; D82-I85 PolarHBondContact O-N 2.94Å; D82-I85 VanDerWaalsContact O-N 3.08Å; D82-E86 WeakPolarHBondContact O-CG 3.37Å; D82-E86 PolarHBondContact O-N 3.48Å; D82-R111 IonicContact OD1-CZ 3.76Å; D82-R111 IonicContact OD1-NH1 3.86Å; D82-R111 PolarHBondContact OD1-NH1 3.48Å; D82-R111 IonicContact OD1-NH2 2.96Å; D82-R111 PolarHBondContact OD1-NH2 3.09Å; D82-R111 IonicContact OD2-NH2 2.89Å; D82-R111 PolarHBondContact OD2-NH2 3.05Å; D82-R111 VanDerWaalsContact OD2-NH2 3.09Å; D82-R112 IonicContact OD1-CZ 2.58Å; D82-R112 IonicContact OD1-NE 3.58Å; D82-R112 PolarHBondContact OD1-NE 3.15Å; D82-R112 IonicContact OD1-NH2 3.52Å; D82-R112 IonicContact OD2-CZ 2.9Å; D82-R112 IonicContact OD2-NE 3.66Å; D82-R112 IonicContact OD2-NH2 3.61Å; D82-R112 PolarHBondContact OD2-NH2 2.97Å
83D98.6Very high97.7Very high55 Ų5551.1 Ų51.129%0.29427%0.271SS..Hα-helixtrans-58.3-35.2176.2-67.5-8.6000113.1Q79 V81 K87Q79-D83 PolarHBondContact NE2-OD1 2.84Å; Q79-D83 PolarHBondContact O-N 2.93Å; V81-D83 PolarHBondContact O-N 3.42Å; D83-K87 WeakPolarHBondContact O-CD 3.49Å; D83-K87 WeakPolarHBondContact O-CG 3.25Å; D83-K87 PolarHBondContact O-N 3.32Å
84F98.7Very high97.7Very high21 Ų2156.8 Ų56.89%0.09231%0.306CS..Hα-helixtrans-74.8-41.5175.8-91.1-62.7000111.5I9 F32 R34 L58 L73 V75 A80 V81 D82 E86 K87 L88I9-F84 HydrophobicContact CD1-CD1 4.08Å; I9-F84 HydrophobicContact CD1-CE1 4.29Å; I9-F84 HydrophobicContact CG2-CD1 4.12Å; I9-F84 HydrophobicContact CG2-CD2 4.31Å; I9-F84 HydrophobicContact CG2-CE1 3.65Å; I9-F84 HydrophobicContact CG2-CE2 3.87Å; I9-F84 HydrophobicContact CG2-CG 4.44Å; I9-F84 HydrophobicContact CG2-CZ 3.5Å; I9-F84 VanDerWaalsContact CG2-CZ 3.5Å; F32-F84 HydrophobicContact CE1-CE1 4.19Å; R34-F84 HydrophobicContact CB-CZ 4.13Å; L58-F84 HydrophobicContact CD1-CD1 4.46Å; L58-F84 HydrophobicContact CD2-CD1 4.32Å; L58-F84 HydrophobicContact CD2-CE1 4.23Å; L73-F84 HydrophobicContact CD1-CB 4.2Å; L73-F84 HydrophobicContact CD2-CB 4.24Å; V75-F84 HydrophobicContact CG1-CD2 4.05Å; V75-F84 HydrophobicContact CG1-CE2 3.78Å; V75-F84 HydrophobicContact CG2-CD2 4.25Å; A80-F84 WeakPolarHBondContact O-CD2 3.38Å; A80-F84 PolarHBondContact O-N 3.3Å; V81-F84 PolarHBondContact O-N 3.49Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.09Å; F84-E86 VanDerWaalsContact C-N 3.33Å; F84-E86 PolarHBondContact O-N 3.19Å; F84-K87 PolarHBondContact O-N 3.41Å; F84-L88 WeakPolarHBondContact O-CB 3.08Å; F84-L88 WeakPolarHBondContact O-CG 3.37Å; F84-L88 PolarHBondContact O-N 2.92Å
85I98.8Very high97.7Very high14 Ų1456.8 Ų56.87%0.07231%0.312CS..Hα-helixtrans-58.3-47.7176-69.4169.8000109.9L73 V81 D82 K87 L88 V89 I98 R112 L116 F123L73-I85 HydrophobicContact CD1-CG1 4.04Å; V81-I85 HydrophobicContact CG1-CD1 3.88Å; V81-I85 HydrophobicContact CG1-CG1 4.49Å; V81-I85 WeakPolarHBondContact O-CG1 3.34Å; V81-I85 PolarHBondContact O-N 2.8Å; D82-I85 WeakPolarHBondContact O-CB 3.22Å; D82-I85 PolarHBondContact O-N 2.94Å; D82-I85 VanDerWaalsContact O-N 3.08Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.24Å; I85-L88 PolarHBondContact O-N 3.07Å; I85-L88 VanDerWaalsContact O-N 3.13Å; I85-V89 HydrophobicContact CG2-CG2 4.06Å; I85-V89 VanDerWaalsContact O-CG2 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.39Å; I85-I98 HydrophobicContact CG1-CD1 4.44Å; I85-I98 HydrophobicContact CG1-CG2 4.43Å; I85-R112 HydrophobicContact CD1-CB 4.45Å; I85-R112 HydrophobicContact CD1-CG 3.94Å; I85-L116 HydrophobicContact CD1-CD1 4.46Å; I85-L116 HydrophobicContact CG2-CD1 4.04Å; I85-L116 HydrophobicContact CG2-CD2 3.84Å; I85-L116 HydrophobicContact CG2-CG 4.31Å; I85-F123 HydrophobicContact CD1-CE2 3.89Å; I85-F123 HydrophobicContact CD1-CZ 4.39Å
86E98.7Very high97.9Very high133 Ų13355.5 Ų55.562%0.62130%0.304SS*.Hα-helixtrans-57.1-39.1178.5-74178.2-176.600113D82 F84 P90D82-E86 WeakPolarHBondContact O-CG 3.37Å; D82-E86 PolarHBondContact O-N 3.48Å; F84-E86 VanDerWaalsContact C-N 3.33Å; F84-E86 PolarHBondContact O-N 3.19Å; E86-P90 WeakPolarHBondContact O-CD 3.36Å
87K98.6Very high98.1Very high118 Ų11847.1 Ų47.151%0.51327%0.268SS..Hα-helixtrans-78.3-28.2178.3-68.9169.9-173.9167.50113.4L58 D83 F84 I85L58-K87 HydrophobicContact CD1-CB 3.66Å; L58-K87 HydrophobicContact CD1-CD 4.18Å; D83-K87 WeakPolarHBondContact O-CD 3.49Å; D83-K87 WeakPolarHBondContact O-CG 3.25Å; D83-K87 PolarHBondContact O-N 3.32Å; F84-K87 PolarHBondContact O-N 3.41Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.24Å
88L98.8Very high98.4Very high0 Ų045.4 Ų45.40%025%0.253CS..Hα-helixtrans-79.1-44.1-179.1-77.1170.8000111.7I9 L58 M61 V62 I71 L73 F84 I85 P90 L91 L92 I98I9-L88 HydrophobicContact CD1-CD1 4.16Å; I9-L88 HydrophobicContact CD1-CD2 4.46Å; L58-L88 HydrophobicContact CD2-CD2 4.08Å; M61-L88 HydrophobicContact CE-CD2 3.84Å; V62-L88 HydrophobicContact CG2-CD2 4.22Å; I71-L88 HydrophobicContact CD1-CD2 3.88Å; I71-L88 HydrophobicContact CG2-CD1 4.19Å; L73-L88 HydrophobicContact CD2-CD1 3.96Å; F84-L88 WeakPolarHBondContact O-CB 3.08Å; F84-L88 WeakPolarHBondContact O-CG 3.37Å; F84-L88 PolarHBondContact O-N 2.92Å; I85-L88 PolarHBondContact O-N 3.07Å; I85-L88 VanDerWaalsContact O-N 3.13Å; L88-P90 VanDerWaalsContact C-CD 3.49Å; L88-L91 WeakPolarHBondContact O-CA 3.3Å; L88-L91 WeakPolarHBondContact O-CB 3.24Å; L88-L91 PolarHBondContact O-N 3.23Å; L88-L92 HydrophobicContact CB-CD1 4.26Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 2.89Å; L88-I98 HydrophobicContact CB-CD1 4.17Å; L88-I98 HydrophobicContact CD1-CD1 4.24Å
89V98.6Very high98.6Very high32 Ų3244.4 Ų44.419%0.19424%0.243CC..G310 helixtrans-49.8-45.6-174.2165.70000113.6I85 L91 L92 L116 K119I85-V89 HydrophobicContact CG2-CG2 4.06Å; I85-V89 VanDerWaalsContact O-CG2 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.39Å; V89-L91 PolarHBondContact O-N 2.85Å; V89-L91 VanDerWaalsContact O-N 3.11Å; V89-L92 PolarHBondContact O-N 3.13Å; V89-L116 HydrophobicContact CG2-CD2 3.46Å; V89-L116 VanDerWaalsContact CG2-CD2 3.46Å; V89-K119 HydrophobicContact CG1-CD 4Å
90P98.6Very high98.7Very high104 Ų10438.5 Ų38.568%0.67522%0.215SC*.G310 helixtrans-66.2-11.5178.1-21.734000115.2E86 L88E86-P90 WeakPolarHBondContact O-CD 3.36Å; L88-P90 VanDerWaalsContact C-CD 3.49Å
91L98.7Very high98.7Very high59 Ų5937.5 Ų37.531%0.30921%0.207SC..G310 helixtrans-104.4-10.7-177.8-54177.4000112.5L58 V62 L88 V89L58-L91 HydrophobicContact CB-CD1 3.99Å; V62-L91 HydrophobicContact CG1-CB 4.23Å; V62-L91 VanDerWaalsContact CG1-O 3.31Å; V62-L91 WeakPolarHBondContact CG1-O 3.29Å; V62-L91 HydrophobicContact CG2-CB 4.12Å; V62-L91 HydrophobicContact CG2-CD1 4.36Å; L88-L91 WeakPolarHBondContact O-CA 3.3Å; L88-L91 WeakPolarHBondContact O-CB 3.24Å; L88-L91 PolarHBondContact O-N 3.23Å; V89-L91 PolarHBondContact O-N 2.85Å; V89-L91 VanDerWaalsContact O-N 3.11Å
92L98.6Very high98.5Very high18 Ų1837.8 Ų37.89%0.09421%0.21CC..PPolyproline II helixtrans-98.2154.1-174.7-64.8-179.8000111.9V62 R69 I71 L88 V89 D96 I98 I121V62-L92 HydrophobicContact CG1-CD2 4.43Å; V62-L92 HydrophobicContact CG2-CD2 4.33Å; R69-L92 HydrophobicContact CB-CD2 4.43Å; I71-L92 HydrophobicContact CD1-CD2 3.77Å; L88-L92 HydrophobicContact CB-CD1 4.26Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 2.89Å; V89-L92 PolarHBondContact O-N 3.13Å; L92-D96 HydrophobicContact CB-CB 4.06Å; L92-D96 HydrophobicContact CD1-CB 4.36Å; L92-D96 HydrophobicContact CD2-CB 4.12Å; L92-D96 HydrophobicContact CG-CB 4.39Å; L92-I98 HydrophobicContact CD1-CD1 3.77Å; L92-I98 HydrophobicContact CD1-CG1 3.79Å; L92-I121 HydrophobicContact CB-CD1 3.77Å; L92-I121 HydrophobicContact CD1-CD1 4.41Å; L92-I121 HydrophobicContact CD1-CG2 4.38Å
93D98.6Very high98.3Very high62 Ų6240.3 Ų40.333%0.33222%0.223SC..PPolyproline II helixtrans-96.9158.9172-61.1-46.5000110.2K67 R69 G95 D96 I121K67-D93 VanDerWaalsContact CE-OD2 3.31Å; K67-D93 WeakPolarHBondContact CE-OD2 3.33Å; K67-D93 IonicContact NZ-OD2 3.69Å; K67-D93 PolarHBondContact NZ-OD2 2.66Å; R69-D93 IonicContact CZ-OD2 2.74Å; R69-D93 VanDerWaalsContact NH1-CG 3.34Å; R69-D93 IonicContact NH1-OD2 3.83Å; R69-D93 PolarHBondContact NH1-OD2 2.97Å; R69-D93 IonicContact NH2-OD2 3.92Å; R69-D93 PolarHBondContact NH2-OD2 3.18Å; D93-G95 PolarHBondContact O-N 3.38Å; D93-D96 PolarHBondContact N-OD2 3.11Å; D93-D96 VanDerWaalsContact O-CB 3.27Å; D93-D96 WeakPolarHBondContact O-CB 3.48Å; D93-D96 PolarHBondContact O-N 3.27Å; D93-I121 VanDerWaalsContact O-CD1 3.26Å; D93-I121 WeakPolarHBondContact O-CD1 3.49Å
94T98.6Very high98.3Very high120 Ų12038 Ų3874%0.73621%0.211SC*.THydrogen-bonded Turntrans-53.2132.9169.7-56.80000111.1G120T94-G120 CarbonylContact C-O 3.48Å; T94-G120 WeakPolarHBondContact CA-O 3.27Å
95G98.4Very high98.2Very high24 Ų2440 Ų4025%0.24722%0.221CC..THydrogen-bonded Turntrans90-7.6-176.300000114.8P68 D93 G120P68-G95 WeakPolarHBondContact CB-O 3.25Å; D93-G95 PolarHBondContact O-N 3.38Å; G95-G120 PolarHBondContact N-O 3.18Å
96D98.9Very high98.1Very high1 Ų139.6 Ų39.61%0.00522%0.219CC..  trans-68.4157172.3-72.9-17.4000111.6R69 L92 D93 I121 L122R69-D96 HydrophobicContact CB-CB 4.13Å; R69-D96 WeakPolarHBondContact CD-OD2 3.47Å; R69-D96 WeakPolarHBondContact CG-OD2 3.39Å; R69-D96 IonicContact CZ-OD2 2.73Å; R69-D96 PolarHBondContact N-OD1 3.02Å; R69-D96 IonicContact NE-OD2 3.1Å; R69-D96 IonicContact NH1-OD1 3.81Å; R69-D96 IonicContact NH1-OD2 2.72Å; R69-D96 PolarHBondContact NH1-OD2 3.5Å; L92-D96 HydrophobicContact CB-CB 4.06Å; L92-D96 HydrophobicContact CD1-CB 4.36Å; L92-D96 HydrophobicContact CD2-CB 4.12Å; L92-D96 HydrophobicContact CG-CB 4.39Å; D93-D96 PolarHBondContact N-OD2 3.11Å; D93-D96 VanDerWaalsContact O-CB 3.27Å; D93-D96 WeakPolarHBondContact O-CB 3.48Å; D93-D96 PolarHBondContact O-N 3.27Å; D96-I121 HydrophobicContact CB-CD1 4.42Å; D96-L122 PolarHBondContact O-N 3.08Å
97I98.9Very high98.1Very high0 Ų037.5 Ų37.50%021%0.205CC..EExtended strand (participates in β ladder)trans-123.5122.2-165.4-50.4171000110.6P68 R69 R70 I71 I99 L122 A149 H152 I153P68-I97 HydrophobicContact CG-CD1 4.44Å; R69-I97 WeakPolarHBondContact O-CA 3.33Å; R69-I97 PolarHBondContact O-N 2.81Å; R70-I97 HydrophobicContact CG-CB 4.38Å; R70-I97 HydrophobicContact CG-CD1 4.04Å; I71-I97 PolarHBondContact N-O 3.13Å; I97-I99 HydrophobicContact CB-CD1 4.48Å; I97-I99 HydrophobicContact CG2-CD1 3.73Å; I97-I99 HydrophobicContact CG2-CG1 3.99Å; I97-L122 VanDerWaalsContact CA-O 3.32Å; I97-L122 WeakPolarHBondContact CA-O 3.44Å; I97-L122 HydrophobicContact CG1-CB 4.11Å; I97-L122 HydrophobicContact CG1-CD1 4.12Å; I97-A149 HydrophobicContact CD1-CB 4.11Å; I97-A149 HydrophobicContact CG1-CB 4.28Å; I97-A149 HydrophobicContact CG2-CB 3.85Å; I97-H152 HydrophobicContact CD1-CB 3.43Å; I97-H152 VanDerWaalsContact CD1-CB 3.43Å; I97-I153 HydrophobicContact CD1-CG2 4.23Å; I97-I153 HydrophobicContact CG2-CG2 4.34Å
98I98.9Very high98.1Very high0 Ų033.6 Ų33.60%019%0.19CC..EExtended strand (participates in β ladder)trans-104.7129166.8-60.2176.4000108.5L73 I85 L88 L92 L116 I121 L122 F123 V124L73-I98 HydrophobicContact CD1-CG2 3.8Å; L73-I98 HydrophobicContact CG-CG2 4.06Å; I85-I98 HydrophobicContact CG1-CD1 4.44Å; I85-I98 HydrophobicContact CG1-CG2 4.43Å; L88-I98 HydrophobicContact CB-CD1 4.17Å; L88-I98 HydrophobicContact CD1-CD1 4.24Å; L92-I98 HydrophobicContact CD1-CD1 3.77Å; L92-I98 HydrophobicContact CD1-CG1 3.79Å; I98-L116 HydrophobicContact CD1-CD1 4.4Å; I98-I121 HydrophobicContact CD1-CG2 4.24Å; I98-I121 HydrophobicContact CG1-CG2 4.25Å; I98-L122 PolarHBondContact N-O 2.96Å; I98-F123 HydrophobicContact CB-CD2 3.99Å; I98-F123 HydrophobicContact CB-CE2 4.41Å; I98-F123 HydrophobicContact CG2-CD2 3.97Å; I98-F123 HydrophobicContact CG2-CE2 3.87Å; I98-F123 WeakPolarHBondContact O-CA 3.44Å; I98-F123 WeakPolarHBondContact O-CD2 3.15Å; I98-V124 PolarHBondContact O-N 2.92Å
99I98.9Very high98.1Very high1 Ų133.6 Ų33.61%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-115.5113.6175.6-51.193.4000109.3R70 I71 I72 L73 I97 G101 V124 I153 F157R70-I99 HydrophobicContact CB-CD1 4.49Å; I71-I99 PolarHBondContact O-N 3.17Å; I72-I99 CarbonylContact C-O 3.3Å; I72-I99 VanDerWaalsContact CA-O 3.29Å; I72-I99 WeakPolarHBondContact CA-O 3.46Å; I72-I99 HydrophobicContact CG1-CB 4.21Å; I72-I99 HydrophobicContact CG1-CD1 4.26Å; L73-I99 PolarHBondContact N-O 3.21Å; I97-I99 HydrophobicContact CB-CD1 4.48Å; I97-I99 HydrophobicContact CG2-CD1 3.73Å; I97-I99 HydrophobicContact CG2-CG1 3.99Å; I99-G101 PolarHBondContact O-N 3.12Å; I99-V124 CarbonylContact C-O 3.36Å; I99-V124 VanDerWaalsContact CA-O 3.24Å; I99-V124 WeakPolarHBondContact CA-O 3.43Å; I99-V124 HydrophobicContact CB-CB 4.47Å; I99-V124 HydrophobicContact CG1-CB 4.14Å; I99-V124 HydrophobicContact CG2-CB 4.12Å; I99-V124 HydrophobicContact CG2-CG1 4.12Å; I99-I153 HydrophobicContact CD1-CG2 4.27Å; I99-F157 HydrophobicContact CG2-CE1 4.46Å; I99-F157 HydrophobicContact CG2-CZ 3.9Å
100D98.9Very high98.1Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-83.7110.5167.9179.510.7000109V81 G102 S104 R112 F123 V124 S126 H181V81-D100 HydrophobicContact CG1-CB 4.43Å; D100-G102 PolarHBondContact OD1-N 2.93Å; D100-S104 WeakPolarHBondContact OD2-CB 3.37Å; D100-S104 PolarHBondContact OD2-OG 3.24Å; D100-R112 IonicContact OD2-NH1 3.6Å; D100-R112 PolarHBondContact OD2-NH1 2.9Å; D100-F123 HydrophobicContact CB-CE2 4.15Å; D100-F123 HydrophobicContact CB-CZ 3.67Å; D100-V124 PolarHBondContact N-O 3.31Å; D100-S126 PolarHBondContact O-N 3.43Å; D100-H181 PolarHBondContact O-CE1 3.18Å; D100-H181 PolarHBondContact O-NE2 3Å; D100-H181 IonicContact OD2-CE1 2.82Å
101G98Very high98.1Very high5 Ų532.2 Ų32.25%0.05217%0.17CC..  trans-96.12.7177.300000113.8L73 L74 I99 S126 V128L73-G101 PolarHBondContact O-N 2.93Å; L74-G101 WeakPolarHBondContact CD1-O 3.42Å; I99-G101 PolarHBondContact O-N 3.12Å; G101-S126 WeakPolarHBondContact CA-O 3.39Å; G101-V128 WeakPolarHBondContact O-CG2 3.49Å
102G95.4Very high98.1Very high5 Ų529.6 Ų29.65%0.05216%0.156CC..SBendtrans-69.1176.4-178.300000113.3D100 S104 H181D100-G102 PolarHBondContact OD1-N 2.93Å; G102-S104 PolarHBondContact O-N 2.79Å; G102-S104 VanDerWaalsContact O-N 3.11Å; G102-H181 PolarHBondContact O-NE2 2.94Å
103N94.9Very high98.1Very high74 Ų7429.1 Ų29.140%0.39615%0.154SC..SBendtrans-85.658.7165.9-68.6-43.1000109.7A77 K184 T263A77-N103 WeakPolarHBondContact CB-O 3.5Å; N103-K184 PolarHBondContact OD1-NZ 3.08Å; N103-T263 HydrophobicContact CB-CG2 4.1Å
104S97.3Very high98.1Very high6 Ų633 Ų334%0.04216%0.164CC..  trans-76.2155.5-178.5-74.50000112.3D100 G102 R112D100-S104 WeakPolarHBondContact OD2-CB 3.37Å; D100-S104 PolarHBondContact OD2-OG 3.24Å; G102-S104 PolarHBondContact O-N 2.79Å; G102-S104 VanDerWaalsContact O-N 3.11Å; S104-R112 PolarHBondContact OG-NH1 2.82Å
105E96.4Very high98.1Very high64 Ų6431.1 Ų31.130%0.29915%0.149SC..  trans-68.9138.4171.9-169.6171.8175.400110R107 D108 T109E105-R107 HydrophobicContact CG-CB 4.38Å; E105-R107 PolarHBondContact O-N 2.58Å; E105-R107 IonicContact OE1-NH1 3.6Å; E105-D108 HydrophobicContact CB-CB 4.36Å; E105-D108 WeakPolarHBondContact O-CB 3.37Å; E105-D108 PolarHBondContact O-N 3.25Å; E105-T109 PolarHBondContact O-N 3Å; E105-T109 VanDerWaalsContact O-N 3.08Å; E105-T109 PolarHBondContact O-OG1 2.84Å
106Y98.2Very high98.1Very high5 Ų530.1 Ų30.12%0.0214%0.138CC..Hα-helixtrans-68.1-26.1-176.372-88.5000112.6T109 T110 F182 M185 Y274 F349 W351Y106-T109 WeakPolarHBondContact O-CB 3.43Å; Y106-T109 PolarHBondContact O-N 2.68Å; Y106-T110 PolarHBondContact O-N 2.99Å; Y106-T110 PolarHBondContact O-OG1 3.28Å; Y106-F182 AromaticContact CD1-CD2 3.68Å; Y106-F182 HydrophobicContact CD1-CD2 3.68Å; Y106-F182 HydrophobicContact CD1-CE2 4.31Å; Y106-F182 AromaticContact CD2-CD2 3.83Å; Y106-F182 HydrophobicContact CD2-CD2 3.83Å; Y106-F182 AromaticContact CE1-CD2 3.81Å; Y106-F182 HydrophobicContact CE1-CD2 3.81Å; Y106-F182 AromaticContact CE1-CE2 3.98Å; Y106-F182 HydrophobicContact CE1-CE2 3.98Å; Y106-F182 AromaticContact CE2-CD2 3.95Å; Y106-F182 HydrophobicContact CE2-CD2 3.95Å; Y106-F182 HydrophobicContact CE2-CE2 4.3Å; Y106-F182 HydrophobicContact CG-CB 4.25Å; Y106-F182 AromaticContact CG-CD2 3.67Å; Y106-F182 HydrophobicContact CG-CD2 3.67Å; Y106-F182 HydrophobicContact CG-CG 4.47Å; Y106-F182 AromaticContact CZ-CD2 3.91Å; Y106-F182 AromaticContact CZ-CE2 3.95Å; Y106-M185 HydrophobicContact CD1-SD 4.14Å; Y106-M185 HydrophobicContact CE1-CE 4.4Å; Y106-M185 HydrophobicContact CE1-SD 4.21Å; Y106-Y274 PolarHBondContact OH-OH 2.98Å; Y106-F349 AromaticContact CE2-CE2 3.87Å; Y106-F349 HydrophobicContact CE2-CE2 3.87Å; Y106-F349 AromaticContact CE2-CZ 3.65Å; Y106-F349 HydrophobicContact CE2-CZ 3.65Å; Y106-W351 HydrophobicContact CD2-CH2 4.3Å
107R98.1Very high98.1Very high89 Ų8936.4 Ų36.434%0.33617%0.165SC..Hα-helixtrans-69-44.2174.5-66.3-177.3172.9113.8-1.7111.9E105 T109 T110 R111 E273 Y274E105-R107 HydrophobicContact CG-CB 4.38Å; E105-R107 PolarHBondContact O-N 2.58Å; E105-R107 IonicContact OE1-NH1 3.6Å; R107-T109 PolarHBondContact O-N 3.27Å; R107-T110 WeakPolarHBondContact O-CB 3.27Å; R107-T110 PolarHBondContact O-N 3.1Å; R107-R111 PolarHBondContact O-N 2.99Å; R107-E273 IonicContact CZ-OE2 2.78Å; R107-E273 IonicContact NH1-OE1 3.93Å; R107-E273 IonicContact NH1-OE2 3.64Å; R107-E273 PolarHBondContact NH1-OE2 3.38Å; R107-E273 VanDerWaalsContact NH1-OE2 3.1Å; R107-E273 IonicContact NH2-OE1 3.65Å; R107-E273 IonicContact NH2-OE2 3.15Å; R107-E273 PolarHBondContact NH2-OE2 3.21Å; R107-Y274 PolarHBondContact NH2-OH 3.05Å
108D98.4Very high98.1Very high37 Ų3740.8 Ų40.820%0.19820%0.201CC..Hα-helixtrans-56.6-42170.1-91.5-16.3000111.5E105 R111 R112E105-D108 HydrophobicContact CB-CB 4.36Å; E105-D108 WeakPolarHBondContact O-CB 3.37Å; E105-D108 PolarHBondContact O-N 3.25Å; D108-R111 PolarHBondContact O-N 2.79Å; D108-R111 IonicContact OD1-CZ 2.7Å; D108-R111 IonicContact OD1-NE 2.7Å; D108-R111 IonicContact OD1-NH2 3.26Å; D108-R111 PolarHBondContact OD1-NH2 2.96Å; D108-R112 WeakPolarHBondContact O-CB 3.49Å; D108-R112 WeakPolarHBondContact O-CD 3.5Å; D108-R112 WeakPolarHBondContact O-CG 3.36Å; D108-R112 PolarHBondContact O-N 3.47Å; D108-R112 IonicContact OD2-CZ 3.18Å; D108-R112 IonicContact OD2-NH2 3.62Å; D108-R112 PolarHBondContact OD2-NH2 2.93Å
109T98.8Very high98Very high0 Ų046.9 Ų46.90%023%0.228CC..Hα-helixtrans-64.7-43178.8-52.20000111.4E105 Y106 R107 R112 C113 F123 H181E105-T109 PolarHBondContact O-N 3Å; E105-T109 VanDerWaalsContact O-N 3.08Å; E105-T109 PolarHBondContact O-OG1 2.84Å; Y106-T109 WeakPolarHBondContact O-CB 3.43Å; Y106-T109 PolarHBondContact O-N 2.68Å; R107-T109 PolarHBondContact O-N 3.27Å; T109-R112 PolarHBondContact O-N 3.3Å; T109-C113 WeakPolarHBondContact O-CB 3.29Å; T109-C113 PolarHBondContact O-N 2.8Å; T109-F123 HydrophobicContact CG2-CE1 3.92Å; T109-H181 PolarHBondContact OG1-ND1 2.71Å
110T98.6Very high98Very high15 Ų1548 Ų489%0.09224%0.24CC..Hα-helixtrans-61.4-47.7176.2-60.40000111.1Y106 R107 C113 R114 E177 G178Y106-T110 PolarHBondContact O-N 2.99Å; Y106-T110 PolarHBondContact O-OG1 3.28Å; R107-T110 WeakPolarHBondContact O-CB 3.27Å; R107-T110 PolarHBondContact O-N 3.1Å; T110-C113 PolarHBondContact O-N 2.49Å; T110-R114 WeakPolarHBondContact O-CG 3.42Å; T110-R114 PolarHBondContact O-N 2.84Å; T110-R114 VanDerWaalsContact O-N 3.09Å; T110-E177 HydrophobicContact CG2-CB 4.11Å; T110-E177 HydrophobicContact CG2-CG 4.49Å; T110-E177 WeakPolarHBondContact CG2-OE2 3.26Å; T110-G178 PolarHBondContact OG1-N 2.98Å
111R98.8Very high98Very high92 Ų9248.3 Ų48.335%0.34724%0.241SC..Hα-helixtrans-55.8-56.8173.3173.4-179.758.377.6-5.7111.4D82 R107 D108 C113 R114 D115D82-R111 IonicContact OD1-CZ 3.76Å; D82-R111 IonicContact OD1-NH1 3.86Å; D82-R111 PolarHBondContact OD1-NH1 3.48Å; D82-R111 IonicContact OD1-NH2 2.96Å; D82-R111 PolarHBondContact OD1-NH2 3.09Å; D82-R111 IonicContact OD2-NH2 2.89Å; D82-R111 PolarHBondContact OD2-NH2 3.05Å; D82-R111 VanDerWaalsContact OD2-NH2 3.09Å; R107-R111 PolarHBondContact O-N 2.99Å; D108-R111 PolarHBondContact O-N 2.79Å; D108-R111 IonicContact OD1-CZ 2.7Å; D108-R111 IonicContact OD1-NE 2.7Å; D108-R111 IonicContact OD1-NH2 3.26Å; D108-R111 PolarHBondContact OD1-NH2 2.96Å; R111-C113 VanDerWaalsContact C-N 3.27Å; R111-C113 PolarHBondContact O-N 2.82Å; R111-R114 PolarHBondContact O-N 3.09Å; R111-R114 VanDerWaalsContact O-N 3.14Å; R111-D115 VanDerWaalsContact CG-OD2 3.32Å; R111-D115 WeakPolarHBondContact CG-OD2 3.33Å; R111-D115 WeakPolarHBondContact O-CB 3.39Å; R111-D115 PolarHBondContact O-N 3.22Å
112R98.8Very high98.1Very high4 Ų448.6 Ų48.62%0.01524%0.242CC..Hα-helixtrans-56.5-40.6179.8-71165.2-174.4146.415.5111.9D82 I85 D100 S104 D108 T109 L116 F123D82-R112 IonicContact OD1-CZ 2.58Å; D82-R112 IonicContact OD1-NE 3.58Å; D82-R112 PolarHBondContact OD1-NE 3.15Å; D82-R112 IonicContact OD1-NH2 3.52Å; D82-R112 IonicContact OD2-CZ 2.9Å; D82-R112 IonicContact OD2-NE 3.66Å; D82-R112 IonicContact OD2-NH2 3.61Å; D82-R112 PolarHBondContact OD2-NH2 2.97Å; I85-R112 HydrophobicContact CD1-CB 4.45Å; I85-R112 HydrophobicContact CD1-CG 3.94Å; D100-R112 IonicContact OD2-NH1 3.6Å; D100-R112 PolarHBondContact OD2-NH1 2.9Å; S104-R112 PolarHBondContact OG-NH1 2.82Å; D108-R112 WeakPolarHBondContact O-CB 3.49Å; D108-R112 WeakPolarHBondContact O-CD 3.5Å; D108-R112 WeakPolarHBondContact O-CG 3.36Å; D108-R112 PolarHBondContact O-N 3.47Å; D108-R112 IonicContact OD2-CZ 3.18Å; D108-R112 IonicContact OD2-NH2 3.62Å; D108-R112 PolarHBondContact OD2-NH2 2.93Å; T109-R112 PolarHBondContact O-N 3.3Å; R112-L116 VanDerWaalsContact O-CB 3.27Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 2.89Å; R112-F123 HydrophobicContact CB-CD1 4.01Å; R112-F123 HydrophobicContact CB-CE1 3.61Å; R112-F123 HydrophobicContact CB-CE2 4.31Å; R112-F123 HydrophobicContact CB-CG 4.49Å; R112-F123 HydrophobicContact CB-CZ 3.78Å; R112-F123 HydrophobicContact CG-CZ 4.41Å
113C98.8Very high98.2Very high8 Ų848.4 Ų48.45%0.05424%0.239CC..Hα-helixtrans-62-46.2178.1-171.30000112.1T109 T110 R111 K117 F123T109-C113 WeakPolarHBondContact O-CB 3.29Å; T109-C113 PolarHBondContact O-N 2.8Å; T110-C113 PolarHBondContact O-N 2.49Å; R111-C113 VanDerWaalsContact C-N 3.27Å; R111-C113 PolarHBondContact O-N 2.82Å; C113-K117 VanDerWaalsContact O-CB 3.29Å; C113-K117 WeakPolarHBondContact O-CB 3.48Å; C113-K117 PolarHBondContact O-N 3.08Å; C113-K117 VanDerWaalsContact O-N 3.11Å; C113-F123 HydrophobicContact CB-CD1 4.04Å
114R98.6Very high98.4Very high144 Ų14444.9 Ų44.954%0.54322%0.22SC..Hα-helixtrans-67.4-46.8178.1-68.2175.4-176.4170.95.7111.7T110 R111 L116 K117 A118 E177T110-R114 WeakPolarHBondContact O-CG 3.42Å; T110-R114 PolarHBondContact O-N 2.84Å; T110-R114 VanDerWaalsContact O-N 3.09Å; R111-R114 PolarHBondContact O-N 3.09Å; R111-R114 VanDerWaalsContact O-N 3.14Å; R114-L116 PolarHBondContact O-N 3.37Å; R114-K117 PolarHBondContact O-N 3.31Å; R114-A118 PolarHBondContact O-N 3.26Å; R114-E177 IonicContact CZ-OE1 3.34Å; R114-E177 VanDerWaalsContact CZ-OE1 3.26Å; R114-E177 IonicContact CZ-OE2 3.52Å; R114-E177 IonicContact NE-OE1 4Å; R114-E177 PolarHBondContact NE-OE1 3.17Å; R114-E177 IonicContact NE-OE2 2.72Å; R114-E177 VanDerWaalsContact NH2-CD 3.32Å; R114-E177 IonicContact NH2-OE1 3.73Å; R114-E177 PolarHBondContact NH2-OE1 3.03Å; R114-E177 IonicContact NH2-OE2 2.73Å; R114-E177 PolarHBondContact NH2-OE2 3.32Å
115D98.7Very high98.5Very high79 Ų7944.6 Ų44.642%0.42222%0.218SC..Hα-helixtrans-63-40.8-177.6-66.3-15.3000112.3R111R111-D115 VanDerWaalsContact CG-OD2 3.32Å; R111-D115 WeakPolarHBondContact CG-OD2 3.33Å; R111-D115 WeakPolarHBondContact O-CB 3.39Å; R111-D115 PolarHBondContact O-N 3.22Å
116L98.8Very high98.6Very high3 Ų341.5 Ų41.52%0.01620%0.204CC..Hα-helixtrans-76.3-34.3179.4-72.6172.9000112.5I85 V89 I98 R112 R114 A118 K119 G120 I121 F123I85-L116 HydrophobicContact CD1-CD1 4.46Å; I85-L116 HydrophobicContact CG2-CD1 4.04Å; I85-L116 HydrophobicContact CG2-CD2 3.84Å; I85-L116 HydrophobicContact CG2-CG 4.31Å; V89-L116 HydrophobicContact CG2-CD2 3.46Å; V89-L116 VanDerWaalsContact CG2-CD2 3.46Å; I98-L116 HydrophobicContact CD1-CD1 4.4Å; R112-L116 VanDerWaalsContact O-CB 3.27Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 2.89Å; R114-L116 PolarHBondContact O-N 3.37Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 2.89Å; L116-K119 CarbonylContact O-C 3.49Å; L116-K119 WeakPolarHBondContact O-CA 3.03Å; L116-K119 PolarHBondContact O-N 3.47Å; L116-G120 PolarHBondContact O-N 3.38Å; L116-I121 CarbonylContact C-O 3.58Å; L116-I121 HydrophobicContact CB-CB 4.13Å; L116-I121 HydrophobicContact CB-CG2 4.39Å; L116-I121 HydrophobicContact CD2-CB 4.13Å; L116-I121 HydrophobicContact CD2-CG2 4.2Å; L116-I121 PolarHBondContact O-N 3.34Å; L116-I121 VanDerWaalsContact O-O 3.08Å; L116-F123 HydrophobicContact CB-CB 4.24Å; L116-F123 HydrophobicContact CD1-CB 3.79Å; L116-F123 HydrophobicContact CD1-CD2 3.33Å; L116-F123 HydrophobicContact CD1-CE2 4.11Å; L116-F123 HydrophobicContact CD1-CG 3.75Å
117K98.3Very high98.6Very high134 Ų13441.3 Ų41.358%0.58320%0.203SC*.Hα-helixtrans-57.4-41.5172.8-174.9176.9-177.7177.30111.4C113 R114 K119 G120 I121C113-K117 VanDerWaalsContact O-CB 3.29Å; C113-K117 WeakPolarHBondContact O-CB 3.48Å; C113-K117 PolarHBondContact O-N 3.08Å; C113-K117 VanDerWaalsContact O-N 3.11Å; R114-K117 PolarHBondContact O-N 3.31Å; K117-K119 PolarHBondContact O-N 2.85Å; K117-G120 PolarHBondContact O-N 3.42Å; K117-I121 PolarHBondContact N-O 3.32Å
118A98.1Very high98.6Very high92 Ų9237.6 Ų37.676%0.7619%0.19SC*.THydrogen-bonded Turntrans-63.4-21176.100000113.8R114 L116R114-A118 PolarHBondContact O-N 3.26Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 2.89Å
119K98.3Very high98.5Very high128 Ų12836.1 Ų36.156%0.55718%0.183SC*.THydrogen-bonded Turntrans-98.25.6176.5-59.4177-172.1175.30112.7V89 L116 K117 I121V89-K119 HydrophobicContact CG1-CD 4Å; L116-K119 CarbonylContact O-C 3.49Å; L116-K119 WeakPolarHBondContact O-CA 3.03Å; L116-K119 PolarHBondContact O-N 3.47Å; K117-K119 PolarHBondContact O-N 2.85Å; K119-I121 VanDerWaalsContact C-N 3.27Å; K119-I121 PolarHBondContact O-N 3.23Å
120G98.4Very high98.1Very high25 Ų2536.6 Ų36.626%0.25819%0.188SC..THydrogen-bonded Turntrans71.317.9-177.200000114.3T94 G95 L116 K117T94-G120 CarbonylContact C-O 3.48Å; T94-G120 WeakPolarHBondContact CA-O 3.27Å; G95-G120 PolarHBondContact N-O 3.18Å; L116-G120 PolarHBondContact O-N 3.38Å; K117-G120 PolarHBondContact O-N 3.42Å
121I98.9Very high97.6Very high5 Ų537.5 Ų37.53%0.02620%0.2CC..  trans-101.7132.7176.2-58.1-58.2000108.8L92 D93 D96 I98 L116 K117 K119L92-I121 HydrophobicContact CB-CD1 3.77Å; L92-I121 HydrophobicContact CD1-CD1 4.41Å; L92-I121 HydrophobicContact CD1-CG2 4.38Å; D93-I121 VanDerWaalsContact O-CD1 3.26Å; D93-I121 WeakPolarHBondContact O-CD1 3.49Å; D96-I121 HydrophobicContact CB-CD1 4.42Å; I98-I121 HydrophobicContact CD1-CG2 4.24Å; I98-I121 HydrophobicContact CG1-CG2 4.25Å; L116-I121 CarbonylContact C-O 3.58Å; L116-I121 HydrophobicContact CB-CB 4.13Å; L116-I121 HydrophobicContact CB-CG2 4.39Å; L116-I121 HydrophobicContact CD2-CB 4.13Å; L116-I121 HydrophobicContact CD2-CG2 4.2Å; L116-I121 PolarHBondContact O-N 3.34Å; L116-I121 VanDerWaalsContact O-O 3.08Å; K117-I121 PolarHBondContact N-O 3.32Å; K119-I121 VanDerWaalsContact C-N 3.27Å; K119-I121 PolarHBondContact O-N 3.23Å
122L98.9Very high97.1Very high12 Ų1238.7 Ų38.76%0.06321%0.21CC..EExtended strand (participates in β ladder)trans-85.6131.3178.3-48.6-179.9000109D96 I97 I98 N146 E148 A149D96-L122 PolarHBondContact O-N 3.08Å; I97-L122 VanDerWaalsContact CA-O 3.32Å; I97-L122 WeakPolarHBondContact CA-O 3.44Å; I97-L122 HydrophobicContact CG1-CB 4.11Å; I97-L122 HydrophobicContact CG1-CD1 4.12Å; I98-L122 PolarHBondContact N-O 2.96Å; L122-N146 VanDerWaalsContact CD2-ND2 3.29Å; L122-N146 WeakPolarHBondContact CD2-ND2 3.37Å; L122-E148 HydrophobicContact CD1-CB 4.04Å; L122-E148 HydrophobicContact CD2-CB 4.05Å; L122-A149 HydrophobicContact CB-CB 4.01Å; L122-A149 HydrophobicContact CD1-CB 4.27Å
123F98.9Very high96.7Very high0 Ų045.1 Ų45.10%024%0.24CC..EExtended strand (participates in β ladder)trans-121.5136.9-178.8-172.2-104.1000111.2I85 I98 D100 T109 R112 C113 L116 N146I85-F123 HydrophobicContact CD1-CE2 3.89Å; I85-F123 HydrophobicContact CD1-CZ 4.39Å; I98-F123 HydrophobicContact CB-CD2 3.99Å; I98-F123 HydrophobicContact CB-CE2 4.41Å; I98-F123 HydrophobicContact CG2-CD2 3.97Å; I98-F123 HydrophobicContact CG2-CE2 3.87Å; I98-F123 WeakPolarHBondContact O-CA 3.44Å; I98-F123 WeakPolarHBondContact O-CD2 3.15Å; D100-F123 HydrophobicContact CB-CE2 4.15Å; D100-F123 HydrophobicContact CB-CZ 3.67Å; T109-F123 HydrophobicContact CG2-CE1 3.92Å; R112-F123 HydrophobicContact CB-CD1 4.01Å; R112-F123 HydrophobicContact CB-CE1 3.61Å; R112-F123 HydrophobicContact CB-CE2 4.31Å; R112-F123 HydrophobicContact CB-CG 4.49Å; R112-F123 HydrophobicContact CB-CZ 3.78Å; R112-F123 HydrophobicContact CG-CZ 4.41Å; C113-F123 HydrophobicContact CB-CD1 4.04Å; L116-F123 HydrophobicContact CB-CB 4.24Å; L116-F123 HydrophobicContact CD1-CB 3.79Å; L116-F123 HydrophobicContact CD1-CD2 3.33Å; L116-F123 HydrophobicContact CD1-CE2 4.11Å; L116-F123 HydrophobicContact CD1-CG 3.75Å; F123-N146 PolarHBondContact O-N 3.47Å
124V98.9Very high96.4Very high0 Ų045.3 Ų45.30%024%0.243CC..EExtended strand (participates in β ladder)trans-127.8124.2175.3178.20000108.6I98 I99 D100 P143 G144 A149 I153 W173I98-V124 PolarHBondContact O-N 2.92Å; I99-V124 CarbonylContact C-O 3.36Å; I99-V124 VanDerWaalsContact CA-O 3.24Å; I99-V124 WeakPolarHBondContact CA-O 3.43Å; I99-V124 HydrophobicContact CB-CB 4.47Å; I99-V124 HydrophobicContact CG1-CB 4.14Å; I99-V124 HydrophobicContact CG2-CB 4.12Å; I99-V124 HydrophobicContact CG2-CG1 4.12Å; D100-V124 PolarHBondContact N-O 3.31Å; V124-P143 HydrophobicContact CG1-CB 3.77Å; V124-G144 CarbonylContact C-O 3.17Å; V124-G144 VanDerWaalsContact CA-O 3.3Å; V124-G144 WeakPolarHBondContact CA-O 3.47Å; V124-G144 WeakPolarHBondContact CG1-O 3.37Å; V124-A149 HydrophobicContact CG2-CB 3.52Å; V124-I153 HydrophobicContact CB-CD1 4.47Å; V124-I153 HydrophobicContact CG1-CD1 4.1Å; V124-I153 HydrophobicContact CG2-CD1 4.05Å; V124-W173 HydrophobicContact CG1-CZ3 4.29Å; V124-W173 HydrophobicContact CG2-CH2 4.26Å; V124-W173 HydrophobicContact CG2-CZ3 4.2Å
125G98.8Very high96.3Very high0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-93.3119.8162.900000109.4G144 H181G125-G144 PolarHBondContact N-O 3.39Å; G125-G144 PolarHBondContact O-N 3.23Å; G125-G144 VanDerWaalsContact O-O 3.04Å; G125-H181 WeakPolarHBondContact CA-CE1 3.48Å
126S98.8Very high96.3Very high0 Ų036.9 Ų36.90%021%0.206CC..EExtended strand (participates in β ladder)trans-123.8117.4-177-176.80000111.8D100 G101 V128 M142 H181D100-S126 PolarHBondContact O-N 3.43Å; G101-S126 WeakPolarHBondContact CA-O 3.39Å; S126-V128 PolarHBondContact O-N 2.95Å; S126-M142 WeakPolarHBondContact CA-O 3.29Å; S126-H181 PolarHBondContact N-NE2 3.38Å; S126-H181 PolarHBondContact O-NE2 2.91Å
127G97.9Very high96.2Very high0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-59.9133.2164.400000111.8L141 M142G127-L141 CarbonylContact O-C 2.91Å; G127-L141 WeakPolarHBondContact O-CA 3.37Å; G127-M142 PolarHBondContact N-O 3.23Å; G127-M142 PolarHBondContact O-N 3.24Å
128V97.8Very high96.1Very high11 Ų1138.5 Ų38.57%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-119.7118.9170.6-175.10000109.4M14 G101 S126 P139 L141 K184M14-V128 HydrophobicContact CE-CG1 4.02Å; G101-V128 WeakPolarHBondContact O-CG2 3.49Å; S126-V128 PolarHBondContact O-N 2.95Å; V128-P139 HydrophobicContact CG1-CB 4.07Å; V128-L141 HydrophobicContact CB-CD2 4.22Å; V128-L141 HydrophobicContact CG1-CD2 3.98Å; V128-L141 HydrophobicContact CG2-CD2 3.75Å; V128-K184 WeakPolarHBondContact O-CE 3.45Å; V128-K184 PolarHBondContact O-NZ 3.33Å
129S96.9Very high96.1Very high7 Ų734.1 Ų34.15%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-124150.7179.4-1650000111.7P139 S140 H187 G365 C366S129-P139 WeakPolarHBondContact O-CA 3.16Å; S129-P139 WeakPolarHBondContact O-CB 3.48Å; S129-S140 PolarHBondContact N-O 3.43Å; S129-S140 PolarHBondContact O-N 3.46Å; S129-H187 PolarHBondContact OG-CE1 2.76Å; S129-H187 PolarHBondContact OG-NE2 3.29Å; S129-H187 VanDerWaalsContact OG-NE2 3.15Å; S129-G365 CarbonylContact C-O 3.56Å; S129-C366 WeakPolarHBondContact OG-CB 3.18Å
130G89.8Confident96.1Very high10 Ų1028 Ų2810%0.10315%0.148CC..SBendtrans134.6-3.7177.200000117.4G134 G365G130-G134 VanDerWaalsContact O-CA 3.32Å; G130-G134 WeakPolarHBondContact O-CA 3.48Å; G130-G134 PolarHBondContact O-N 2.98Å; G130-G365 WeakPolarHBondContact CA-O 3.47Å; G130-G365 PolarHBondContact N-O 3.38Å
131G88.6Confident96.2Very high33 Ų3327 Ų2734%0.3414%0.137SC..Hα-helixtrans63.5-161.9-174.200000112M14 A135M14-G131 VanDerWaalsContact SD-C 3.52Å; G131-A135 WeakPolarHBondContact O-CB 3.34Å; G131-A135 PolarHBondContact O-N 2.89Å
132E89.1Confident96.2Very high117 Ų11726.7 Ų26.755%0.54714%0.135SC..Hα-helixtrans-65.5-46.7-173.2-57.9-177.6171.300111.8V13 N17 A135 R136V13-E132 HydrophobicContact CB-CG 4.31Å; V13-E132 HydrophobicContact CG1-CB 3.92Å; V13-E132 VanDerWaalsContact CG1-CD 3.45Å; V13-E132 HydrophobicContact CG1-CG 3.56Å; N17-E132 PolarHBondContact ND2-O 3.08Å; E132-A135 PolarHBondContact O-N 3.22Å; E132-R136 PolarHBondContact O-N 3.33Å
133E90.1Very high96.1Very high139 Ų13926.1 Ų26.165%0.6513%0.132SC*.Hα-helixtrans-68.3-42.9179.7-171.5174.1-170.900111.8A135 R136 Y137E133-A135 PolarHBondContact O-N 3.13Å; E133-R136 WeakPolarHBondContact O-CB 3.47Å; E133-R136 PolarHBondContact O-N 2.73Å; E133-R136 VanDerWaalsContact O-N 3.11Å; E133-Y137 HydrophobicContact CG-CD2 3.86Å; E133-Y137 HydrophobicContact CG-CE2 4.1Å; E133-Y137 WeakPolarHBondContact O-CD2 3.44Å; E133-Y137 PolarHBondContact O-N 3.01Å; E133-Y137 VanDerWaalsContact O-N 3.11Å
134G92.9Very high96.1Very high12 Ų1226.1 Ų26.112%0.12413%0.132CC..Hα-helixtrans-59.7-45.9174.100000111.6G130 R136 Y137 G138 P139G130-G134 VanDerWaalsContact O-CA 3.32Å; G130-G134 WeakPolarHBondContact O-CA 3.48Å; G130-G134 PolarHBondContact O-N 2.98Å; G134-R136 PolarHBondContact O-N 3.35Å; G134-Y137 PolarHBondContact O-N 2.88Å; G134-G138 CarbonylContact O-C 3.6Å; G134-G138 WeakPolarHBondContact O-CA 3.36Å; G134-G138 PolarHBondContact O-N 3.45Å; G134-P139 WeakPolarHBondContact O-CA 3.39Å; G134-P139 WeakPolarHBondContact O-CD 3.45Å
135A95.4Very high96.1Very high0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-56.7-36175.700000112.8M14 N17 N21 G131 E132 E133M14-A135 HydrophobicContact CE-CB 3.83Å; M14-A135 HydrophobicContact SD-CB 4.06Å; N17-A135 HydrophobicContact CB-CB 3.85Å; N21-A135 WeakPolarHBondContact CB-O 3.27Å; N21-A135 PolarHBondContact ND2-O 3.22Å; G131-A135 WeakPolarHBondContact O-CB 3.34Å; G131-A135 PolarHBondContact O-N 2.89Å; E132-A135 PolarHBondContact O-N 3.22Å; E133-A135 PolarHBondContact O-N 3.13Å
136R97.9Very high96.1Very high47 Ų4727 Ų2718%0.17714%0.137CC..Hα-helixtrans-74.5-38.7-176.1-178.760.6-17186.4-6.1113.7N17 N21 D24 E132 E133 G134N17-R136 HydrophobicContact CB-CB 3.93Å; N21-R136 VanDerWaalsContact CB-O 3.27Å; N21-R136 WeakPolarHBondContact CB-O 3.45Å; D24-R136 IonicContact OD1-NH2 3.62Å; D24-R136 IonicContact OD2-CZ 2.85Å; D24-R136 IonicContact OD2-NH1 3.32Å; D24-R136 PolarHBondContact OD2-NH1 3.32Å; D24-R136 IonicContact OD2-NH2 3.54Å; D24-R136 PolarHBondContact OD2-NH2 2.57Å; E132-R136 PolarHBondContact O-N 3.33Å; E133-R136 WeakPolarHBondContact O-CB 3.47Å; E133-R136 PolarHBondContact O-N 2.73Å; E133-R136 VanDerWaalsContact O-N 3.11Å; G134-R136 PolarHBondContact O-N 3.35Å
137Y97Very high96.1Very high164 Ų16433.1 Ų33.164%0.64316%0.164SC*.Hα-helixtrans-118.8-17-169.3-58-62.9000114.6E133 G134E133-Y137 HydrophobicContact CG-CD2 3.86Å; E133-Y137 HydrophobicContact CG-CE2 4.1Å; E133-Y137 WeakPolarHBondContact O-CD2 3.44Å; E133-Y137 PolarHBondContact O-N 3.01Å; E133-Y137 VanDerWaalsContact O-N 3.11Å; G134-Y137 PolarHBondContact O-N 2.88Å
138G97.4Very high96.1Very high7 Ų739.3 Ų39.37%0.07219%0.193CC..  trans163.188.4-177.400000112.2G134 I160 A162 G365G134-G138 CarbonylContact O-C 3.6Å; G134-G138 WeakPolarHBondContact O-CA 3.36Å; G134-G138 PolarHBondContact O-N 3.45Å; G138-I160 WeakPolarHBondContact CA-O 3.42Å; G138-A162 VanDerWaalsContact O-CB 3.31Å; G138-A162 WeakPolarHBondContact O-CB 3.44Å; G138-G365 WeakPolarHBondContact O-CA 3.45Å
139P98.3Very high96.1Very high0 Ų038.8 Ų38.80%019%0.19CC..  trans-78.8163.3174.630.6-33000110.2L18 N21 V128 S129 G134 L141 I160 A161 A162L18-P139 HydrophobicContact CD1-CG 3.92Å; N21-P139 WeakPolarHBondContact ND2-CD 3.04Å; V128-P139 HydrophobicContact CG1-CB 4.07Å; S129-P139 WeakPolarHBondContact O-CA 3.16Å; S129-P139 WeakPolarHBondContact O-CB 3.48Å; G134-P139 WeakPolarHBondContact O-CA 3.39Å; G134-P139 WeakPolarHBondContact O-CD 3.45Å; P139-L141 HydrophobicContact CB-CD2 4.34Å; P139-L141 HydrophobicContact CG-CD1 4.44Å; P139-L141 HydrophobicContact CG-CD2 3.98Å; P139-L141 HydrophobicContact CG-CG 4.07Å; P139-I160 VanDerWaalsContact CD-O 3.31Å; P139-I160 WeakPolarHBondContact CD-O 3.25Å; P139-A161 CarbonylContact O-C 3.58Å; P139-A161 VanDerWaalsContact O-CA 3.29Å; P139-A161 WeakPolarHBondContact O-CA 3.41Å; P139-A162 PolarHBondContact O-N 3.06Å
140S98.6Very high96.2Very high0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans-81.9131.11571720000108.9S129 M142 M361S129-S140 PolarHBondContact N-O 3.43Å; S129-S140 PolarHBondContact O-N 3.46Å; S140-M142 VanDerWaalsContact OG-CE 3.25Å; S140-M142 WeakPolarHBondContact OG-CE 3.4Å; S140-M361 VanDerWaalsContact CB-O 3.27Å; S140-M361 WeakPolarHBondContact CB-O 3.4Å; S140-M361 PolarHBondContact OG-O 3.36Å
141L98.8Very high96.7Very high2 Ų243.2 Ų43.21%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-122.5131.4-179.2-62.1174.4000109.8G127 V128 P139 P143 F157 I160 A161 C170 C171G127-L141 CarbonylContact O-C 2.91Å; G127-L141 WeakPolarHBondContact O-CA 3.37Å; V128-L141 HydrophobicContact CB-CD2 4.22Å; V128-L141 HydrophobicContact CG1-CD2 3.98Å; V128-L141 HydrophobicContact CG2-CD2 3.75Å; P139-L141 HydrophobicContact CB-CD2 4.34Å; P139-L141 HydrophobicContact CG-CD1 4.44Å; P139-L141 HydrophobicContact CG-CD2 3.98Å; P139-L141 HydrophobicContact CG-CG 4.07Å; L141-P143 VanDerWaalsContact C-CD 3.42Å; L141-P143 WeakPolarHBondContact O-CD 3.27Å; L141-F157 HydrophobicContact CB-CD1 4.2Å; L141-F157 HydrophobicContact CD1-CB 4.13Å; L141-F157 HydrophobicContact CD1-CD1 3.82Å; L141-F157 HydrophobicContact CD1-CE1 4.38Å; L141-F157 HydrophobicContact CD1-CG 4.06Å; L141-F157 WeakPolarHBondContact CD1-O 3.42Å; L141-I160 HydrophobicContact CD1-CD1 4.06Å; L141-I160 HydrophobicContact CD1-CG1 3.85Å; L141-A161 HydrophobicContact CD1-CB 4.36Å; L141-C170 PolarHBondContact N-O 2.97Å; L141-C170 VanDerWaalsContact N-O 3.14Å; L141-C171 HydrophobicContact CB-CB 3.96Å; L141-C171 WeakPolarHBondContact O-CA 3.36Å
142M98.8Very high97.1Very high0 Ų045.4 Ų45.40%022%0.215CC..EExtended strand (participates in β ladder)trans-126.167-172.4-55.5167.9-155.400110.3S126 G127 S140 V174 G180 V183 K184 H187 M361 W362S126-M142 WeakPolarHBondContact CA-O 3.29Å; G127-M142 PolarHBondContact N-O 3.23Å; G127-M142 PolarHBondContact O-N 3.24Å; S140-M142 VanDerWaalsContact OG-CE 3.25Å; S140-M142 WeakPolarHBondContact OG-CE 3.4Å; M142-V174 HydrophobicContact CB-CG2 3.9Å; M142-G180 CarbonylContact O-C 3.58Å; M142-G180 WeakPolarHBondContact O-CA 3.37Å; M142-V183 HydrophobicContact CG-CG1 4.4Å; M142-V183 HydrophobicContact SD-CG1 3.8Å; M142-K184 HydrophobicContact CE-CD 4.17Å; M142-K184 HydrophobicContact SD-CB 4.08Å; M142-K184 HydrophobicContact SD-CD 4.09Å; M142-H187 HydrophobicContact CE-CB 4.48Å; M142-M361 HydrophobicContact CB-SD 4.38Å; M142-M361 HydrophobicContact CG-SD 4.19Å; M142-W362 VanDerWaalsContact CE-NE1 3.3Å; M142-W362 PolarHBondContact SD-NE1 3.02Å
143P98.8Very high97.6Very high0 Ų039.8 Ų39.80%019%0.189CC..EExtended strand (participates in β ladder)trans-73.2130-176.829.5-35000112.4V124 L141 W150 F157 D172 W173 V174V124-P143 HydrophobicContact CG1-CB 3.77Å; L141-P143 VanDerWaalsContact C-CD 3.42Å; L141-P143 WeakPolarHBondContact O-CD 3.27Å; P143-W150 HydrophobicContact CB-CZ3 4.35Å; P143-W150 HydrophobicContact CG-CE3 4.2Å; P143-W150 HydrophobicContact CG-CH2 4.1Å; P143-W150 HydrophobicContact CG-CZ3 3.57Å; P143-F157 HydrophobicContact CB-CD1 4.32Å; P143-F157 HydrophobicContact CB-CE1 4.4Å; P143-F157 HydrophobicContact CG-CD1 4.27Å; P143-D172 WeakPolarHBondContact CD-O 3.36Å; P143-D172 WeakPolarHBondContact CG-O 3.48Å; P143-W173 HydrophobicContact CB-CE3 4.29Å; P143-W173 HydrophobicContact CB-CZ3 4.31Å; P143-V174 WeakPolarHBondContact O-CB 3.27Å; P143-V174 WeakPolarHBondContact O-CG2 3.34Å; P143-V174 PolarHBondContact O-N 3.18Å
144G98.6Very high98Very high0 Ų037.3 Ų37.30%018%0.176CC..EExtended strand (participates in β ladder)trans-141.3168165.500000111.1V124 G125 G175V124-G144 CarbonylContact C-O 3.17Å; V124-G144 VanDerWaalsContact CA-O 3.3Å; V124-G144 WeakPolarHBondContact CA-O 3.47Å; V124-G144 WeakPolarHBondContact CG1-O 3.37Å; G125-G144 PolarHBondContact N-O 3.39Å; G125-G144 PolarHBondContact O-N 3.23Å; G125-G144 VanDerWaalsContact O-O 3.04Å; G144-G175 CarbonylContact C-O 3.5Å; G144-G175 WeakPolarHBondContact CA-O 3.49Å
145G98.4Very high98.3Very high2 Ų241.6 Ų41.62%0.02120%0.2CC..EExtended strand (participates in β ladder)trans137.3-131-176.100000112.7K147 W173 G175 D176 E177G145-K147 PolarHBondContact O-N 2.83Å; G145-W173 WeakPolarHBondContact O-CZ2 3.39Å; G145-G175 PolarHBondContact N-O 3.14Å; G145-D176 WeakPolarHBondContact O-CA 3.2Å; G145-E177 VanDerWaalsContact CA-O 3.25Å; G145-E177 WeakPolarHBondContact CA-O 3.42Å; G145-E177 PolarHBondContact N-O 3.47Å; G145-E177 PolarHBondContact O-N 2.88Å
146N98.3Very high98.4Very high15 Ų1541.7 Ų41.78%0.0820%0.2CC..  trans-82.5110.4174.7-171.6-22.3000110.6L122 F123 E148 A149 W173L122-N146 VanDerWaalsContact CD2-ND2 3.29Å; L122-N146 WeakPolarHBondContact CD2-ND2 3.37Å; F123-N146 PolarHBondContact O-N 3.47Å; N146-E148 PolarHBondContact O-N 3.04Å; N146-E148 VanDerWaalsContact O-N 3.13Å; N146-E148 WeakPolarHBondContact OD1-CB 3.37Å; N146-E148 PolarHBondContact OD1-N 2.8Å; N146-E148 VanDerWaalsContact OD1-N 3.16Å; N146-A149 WeakPolarHBondContact O-CB 3.41Å; N146-A149 PolarHBondContact O-N 2.73Å; N146-W173 WeakPolarHBondContact O-CH2 3.47Å
147K98.3Very high98.5Very high130 Ų13039.8 Ų39.857%0.56519%0.193SC*.G310 helixtrans-60.4-23.6-175.1-164.6176-174.8-172.80114.3G145 A149 W150 W173G145-K147 PolarHBondContact O-N 2.83Å; K147-A149 PolarHBondContact O-N 2.92Å; K147-W150 WeakPolarHBondContact O-CB 3.18Å; K147-W150 PolarHBondContact O-N 3.18Å; K147-W173 HydrophobicContact CB-CZ2 3.85Å; K147-W173 HydrophobicContact CG-CD2 4.44Å; K147-W173 HydrophobicContact CG-CZ2 4.26Å
148E98.6Very high98.6Very high129 Ų12934.1 Ų34.160%0.60317%0.173SC*.G310 helixtrans-60.8-25.1174.6-68177.2-16800112.5L122 N146 W150 P151 H152L122-E148 HydrophobicContact CD1-CB 4.04Å; L122-E148 HydrophobicContact CD2-CB 4.05Å; N146-E148 PolarHBondContact O-N 3.04Å; N146-E148 VanDerWaalsContact O-N 3.13Å; N146-E148 WeakPolarHBondContact OD1-CB 3.37Å; N146-E148 PolarHBondContact OD1-N 2.8Å; N146-E148 VanDerWaalsContact OD1-N 3.16Å; E148-W150 VanDerWaalsContact C-N 3.32Å; E148-P151 WeakPolarHBondContact O-CD 3.44Å; E148-H152 PolarHBondContact O-CD2 3.19Å
149A98.7Very high98.6Very high0 Ų034.9 Ų34.90%018%0.18CC..G310 helixtrans-72.5-25.1175.700000113I97 L122 V124 N146 K147 H152 I153I97-A149 HydrophobicContact CD1-CB 4.11Å; I97-A149 HydrophobicContact CG1-CB 4.28Å; I97-A149 HydrophobicContact CG2-CB 3.85Å; L122-A149 HydrophobicContact CB-CB 4.01Å; L122-A149 HydrophobicContact CD1-CB 4.27Å; V124-A149 HydrophobicContact CG2-CB 3.52Å; N146-A149 WeakPolarHBondContact O-CB 3.41Å; N146-A149 PolarHBondContact O-N 2.73Å; K147-A149 PolarHBondContact O-N 2.92Å; A149-H152 WeakPolarHBondContact O-CB 3.1Å; A149-H152 PolarHBondContact O-N 2.91Å; A149-H152 VanDerWaalsContact O-N 3.08Å; A149-I153 PolarHBondContact O-N 3.11Å
150W98.8Very high98.6Very high22 Ų2234.9 Ų34.98%0.08318%0.181CC..Hα-helixtrans-57.6-49.3-168.3179.5-130.9000113.5P143 K147 E148 H152 I153 K154 F157 Q158 W173P143-W150 HydrophobicContact CB-CZ3 4.35Å; P143-W150 HydrophobicContact CG-CE3 4.2Å; P143-W150 HydrophobicContact CG-CH2 4.1Å; P143-W150 HydrophobicContact CG-CZ3 3.57Å; K147-W150 WeakPolarHBondContact O-CB 3.18Å; K147-W150 PolarHBondContact O-N 3.18Å; E148-W150 VanDerWaalsContact C-N 3.32Å; W150-H152 PolarHBondContact O-N 3.29Å; W150-H152 VanDerWaalsContact O-N 3.09Å; W150-I153 HydrophobicContact CE3-CD1 4.09Å; W150-I153 HydrophobicContact CE3-CG1 3.75Å; W150-I153 HydrophobicContact CZ3-CD1 4.45Å; W150-I153 HydrophobicContact CZ3-CG1 4.19Å; W150-I153 PolarHBondContact O-N 3.21Å; W150-I153 VanDerWaalsContact O-N 3.14Å; W150-K154 HydrophobicContact CD2-CB 4.04Å; W150-K154 HydrophobicContact CD2-CG 4.48Å; W150-K154 HydrophobicContact CE3-CB 4.22Å; W150-K154 HydrophobicContact CH2-CB 4.22Å; W150-K154 HydrophobicContact CH2-CG 4.09Å; W150-K154 HydrophobicContact CZ2-CB 4.05Å; W150-K154 HydrophobicContact CZ2-CD 4Å; W150-K154 HydrophobicContact CZ2-CG 3.67Å; W150-K154 HydrophobicContact CZ3-CB 4.29Å; W150-K154 VanDerWaalsContact O-CB 3.22Å; W150-K154 WeakPolarHBondContact O-CB 3.23Å; W150-K154 PolarHBondContact O-N 3.17Å; W150-F157 HydrophobicContact CZ3-CB 4.32Å; W150-Q158 HydrophobicContact CH2-CG 4.18Å; W150-Q158 HydrophobicContact CZ2-CG 4.48Å; W150-W173 HydrophobicContact CB-CD2 4.14Å; W150-W173 HydrophobicContact CB-CE3 3.66Å; W150-W173 HydrophobicContact CB-CZ3 4.02Å; W150-W173 HydrophobicContact CD2-CB 4.1Å; W150-W173 HydrophobicContact CD2-CD2 4.48Å; W150-W173 AromaticContact CD2-CE3 3.84Å; W150-W173 HydrophobicContact CD2-CE3 3.84Å; W150-W173 AromaticContact CE3-CE3 3.8Å; W150-W173 HydrophobicContact CE3-CE3 3.8Å; W150-W173 HydrophobicContact CE3-CZ3 4.43Å; W150-W173 HydrophobicContact CG-CB 4.17Å; W150-W173 HydrophobicContact CG-CD2 4.21Å; W150-W173 AromaticContact CG-CE3 3.82Å; W150-W173 HydrophobicContact CG-CE3 3.82Å; W150-W173 HydrophobicContact CG-CG 4.39Å; W150-W173 HydrophobicContact CZ2-CB 4.42Å
151P98.8Very high98.6Very high89 Ų8935 Ų3558%0.57818%0.182SC*.Hα-helixtrans-57.9-28.5179.1-24.435.9000113.8E148E148-P151 WeakPolarHBondContact O-CD 3.44Å
152H98.8Very high98.6Very high78 Ų7835.6 Ų35.636%0.36119%0.187SC..Hα-helixtrans-82.7-23.2-177.4-58.5-63.6000113.9P68 R70 I97 E148 A149 W150P68-H152 HydrophobicContact CG-CB 4.26Å; R70-H152 VanDerWaalsContact CD-O 3.31Å; R70-H152 WeakPolarHBondContact CD-O 3.1Å; R70-H152 PolarHBondContact NH1-O 3.41Å; I97-H152 HydrophobicContact CD1-CB 3.43Å; I97-H152 VanDerWaalsContact CD1-CB 3.43Å; E148-H152 PolarHBondContact O-CD2 3.19Å; A149-H152 WeakPolarHBondContact O-CB 3.1Å; A149-H152 PolarHBondContact O-N 2.91Å; A149-H152 VanDerWaalsContact O-N 3.08Å; W150-H152 PolarHBondContact O-N 3.29Å; W150-H152 VanDerWaalsContact O-N 3.09Å
153I98.8Very high98.5Very high0 Ų040.2 Ų40.20%021%0.207CC..Hα-helixtrans-108.4-19.6-179.668.4172.6000113.1R70 I97 I99 V124 A149 W150 T155 I156 F157R70-I153 HydrophobicContact CG-CG2 4.25Å; I97-I153 HydrophobicContact CD1-CG2 4.23Å; I97-I153 HydrophobicContact CG2-CG2 4.34Å; I99-I153 HydrophobicContact CD1-CG2 4.27Å; V124-I153 HydrophobicContact CB-CD1 4.47Å; V124-I153 HydrophobicContact CG1-CD1 4.1Å; V124-I153 HydrophobicContact CG2-CD1 4.05Å; A149-I153 PolarHBondContact O-N 3.11Å; W150-I153 HydrophobicContact CE3-CD1 4.09Å; W150-I153 HydrophobicContact CE3-CG1 3.75Å; W150-I153 HydrophobicContact CZ3-CD1 4.45Å; W150-I153 HydrophobicContact CZ3-CG1 4.19Å; W150-I153 PolarHBondContact O-N 3.21Å; W150-I153 VanDerWaalsContact O-N 3.14Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.82Å; I153-I156 PolarHBondContact O-N 2.98Å; I153-I156 VanDerWaalsContact O-N 3.08Å; I153-F157 HydrophobicContact CB-CD2 4.02Å; I153-F157 HydrophobicContact CB-CE2 4.3Å; I153-F157 HydrophobicContact CD1-CE2 4.5Å; I153-F157 HydrophobicContact CG1-CD2 4.5Å; I153-F157 WeakPolarHBondContact O-CB 3.38Å; I153-F157 PolarHBondContact O-N 3.13Å
154K98.8Very high98.2Very high86 Ų8640.9 Ų40.937%0.37421%0.211SC..Hα-helixtrans-50.2-49.1-174.5179.9173.9-176.2176.50112.8W150 I156 F157 Q158W150-K154 HydrophobicContact CD2-CB 4.04Å; W150-K154 HydrophobicContact CD2-CG 4.48Å; W150-K154 HydrophobicContact CE3-CB 4.22Å; W150-K154 HydrophobicContact CH2-CB 4.22Å; W150-K154 HydrophobicContact CH2-CG 4.09Å; W150-K154 HydrophobicContact CZ2-CB 4.05Å; W150-K154 HydrophobicContact CZ2-CD 4Å; W150-K154 HydrophobicContact CZ2-CG 3.67Å; W150-K154 HydrophobicContact CZ3-CB 4.29Å; W150-K154 VanDerWaalsContact O-CB 3.22Å; W150-K154 WeakPolarHBondContact O-CB 3.23Å; W150-K154 PolarHBondContact O-N 3.17Å; K154-I156 PolarHBondContact O-N 3.43Å; K154-F157 PolarHBondContact O-N 3.47Å; K154-Q158 HydrophobicContact CG-CG 4.17Å; K154-Q158 VanDerWaalsContact O-CB 3.28Å; K154-Q158 WeakPolarHBondContact O-CB 3.29Å; K154-Q158 WeakPolarHBondContact O-CG 3.48Å; K154-Q158 PolarHBondContact O-N 2.9Å
155T98.7Very high97.7Very high102 Ų10245.3 Ų45.363%0.62626%0.256SS*.Hα-helixtrans-61.5-41.8-178.3-54.10000112.5F27 I153 G159F27-T155 HydrophobicContact CZ-CG2 4.27Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.82Å; T155-G159 WeakPolarHBondContact O-CA 3.44Å; T155-G159 PolarHBondContact O-N 3.09Å
156I98.7Very high97.2Very high2 Ų250.1 Ų50.11%0.0129%0.285CS..Hα-helixtrans-68.7-51.8178.3-63.7171.5000109.3I6 M22 F27 I153 K154 G159 I160I6-I156 HydrophobicContact CB-CD1 4.13Å; I6-I156 HydrophobicContact CD1-CD1 3.99Å; I6-I156 HydrophobicContact CD1-CG2 4.38Å; I6-I156 HydrophobicContact CG2-CD1 4.39Å; M22-I156 HydrophobicContact CG-CG2 4.06Å; M22-I156 HydrophobicContact SD-CG2 3.86Å; F27-I156 HydrophobicContact CD1-CD1 4.4Å; F27-I156 HydrophobicContact CD1-CG1 3.83Å; F27-I156 HydrophobicContact CD2-CG1 4.24Å; F27-I156 HydrophobicContact CD2-CG2 4.26Å; F27-I156 HydrophobicContact CE1-CG1 3.59Å; F27-I156 HydrophobicContact CE2-CB 4.22Å; F27-I156 HydrophobicContact CE2-CG1 4.04Å; F27-I156 HydrophobicContact CE2-CG2 4.25Å; F27-I156 HydrophobicContact CG-CG1 4.16Å; F27-I156 HydrophobicContact CZ-CB 4.21Å; F27-I156 HydrophobicContact CZ-CG1 3.71Å; I153-I156 PolarHBondContact O-N 2.98Å; I153-I156 VanDerWaalsContact O-N 3.08Å; K154-I156 PolarHBondContact O-N 3.43Å; I156-G159 PolarHBondContact O-N 2.73Å; I156-I160 HydrophobicContact CG2-CD1 4.48Å; I156-I160 WeakPolarHBondContact O-CG1 3.41Å; I156-I160 PolarHBondContact O-N 2.99Å
157F98.8Very high97Very high7 Ų751.7 Ų51.73%0.03131%0.305CS..Hα-helixtrans-64.9-48.4-173.4-88.8-124.6000111.9I72 I99 L141 P143 W150 I153 K154 G159 A161I72-F157 HydrophobicContact CD1-CE2 4.21Å; I72-F157 HydrophobicContact CD1-CZ 4.41Å; I99-F157 HydrophobicContact CG2-CE1 4.46Å; I99-F157 HydrophobicContact CG2-CZ 3.9Å; L141-F157 HydrophobicContact CB-CD1 4.2Å; L141-F157 HydrophobicContact CD1-CB 4.13Å; L141-F157 HydrophobicContact CD1-CD1 3.82Å; L141-F157 HydrophobicContact CD1-CE1 4.38Å; L141-F157 HydrophobicContact CD1-CG 4.06Å; L141-F157 WeakPolarHBondContact CD1-O 3.42Å; P143-F157 HydrophobicContact CB-CD1 4.32Å; P143-F157 HydrophobicContact CB-CE1 4.4Å; P143-F157 HydrophobicContact CG-CD1 4.27Å; W150-F157 HydrophobicContact CZ3-CB 4.32Å; I153-F157 HydrophobicContact CB-CD2 4.02Å; I153-F157 HydrophobicContact CB-CE2 4.3Å; I153-F157 HydrophobicContact CD1-CE2 4.5Å; I153-F157 HydrophobicContact CG1-CD2 4.5Å; I153-F157 WeakPolarHBondContact O-CB 3.38Å; I153-F157 PolarHBondContact O-N 3.13Å; K154-F157 PolarHBondContact O-N 3.47Å; F157-G159 VanDerWaalsContact C-N 3.32Å; F157-A161 VanDerWaalsContact O-CB 3.27Å; F157-A161 WeakPolarHBondContact O-CB 3.4Å; F157-A161 PolarHBondContact O-N 2.77Å; F157-A161 VanDerWaalsContact O-N 3.12Å
158Q98.8Very high96.9Very high45 Ų4549.1 Ų49.121%0.2130%0.295CS..Hα-helixtrans-69.6-32.4175.8-68.2-167.8-36.300111.9W150 K154 K163 P169 C171W150-Q158 HydrophobicContact CH2-CG 4.18Å; W150-Q158 HydrophobicContact CZ2-CG 4.48Å; K154-Q158 HydrophobicContact CG-CG 4.17Å; K154-Q158 VanDerWaalsContact O-CB 3.28Å; K154-Q158 WeakPolarHBondContact O-CB 3.29Å; K154-Q158 WeakPolarHBondContact O-CG 3.48Å; K154-Q158 PolarHBondContact O-N 2.9Å; Q158-K163 VanDerWaalsContact O-CE 3.29Å; Q158-K163 WeakPolarHBondContact O-CE 3.41Å; Q158-K163 PolarHBondContact O-NZ 2.68Å; Q158-P169 HydrophobicContact CB-CB 3.98Å; Q158-P169 HydrophobicContact CB-CG 3.93Å; Q158-P169 HydrophobicContact CG-CB 4.18Å; Q158-P169 HydrophobicContact CG-CG 3.86Å; Q158-C171 HydrophobicContact CG-CB 4.39Å; Q158-C171 PolarHBondContact NE2-O 3.19Å
159G98.5Very high96.9Very high23 Ų2344.2 Ų44.224%0.23727%0.274CS..Hα-helixtrans-58.5-54.5175.500000112H25 T155 I156 F157 K163H25-G159 PolarHBondContact CD2-O 3.06Å; H25-G159 VanDerWaalsContact CD2-O 3.3Å; H25-G159 PolarHBondContact NE2-O 3.24Å; T155-G159 WeakPolarHBondContact O-CA 3.44Å; T155-G159 PolarHBondContact O-N 3.09Å; I156-G159 PolarHBondContact O-N 2.73Å; F157-G159 VanDerWaalsContact C-N 3.32Å; G159-K163 PolarHBondContact O-NZ 3.03Å
160I98.4Very high96.9Very high1 Ų144.2 Ų44.21%0.00527%0.274CS..Hα-helixtrans-80.8-18.6-174.970.8-176.1000114.5L18 N21 M22 H25 G138 P139 L141 I156L18-I160 HydrophobicContact CD1-CD1 3.72Å; L18-I160 HydrophobicContact CG-CD1 4.36Å; N21-I160 PolarHBondContact ND2-O 3.47Å; M22-I160 HydrophobicContact CB-CG2 4.3Å; M22-I160 HydrophobicContact CG-CD1 3.72Å; M22-I160 HydrophobicContact CG-CG2 3.73Å; M22-I160 HydrophobicContact SD-CD1 4.37Å; H25-I160 HydrophobicContact CB-CG2 4.11Å; G138-I160 WeakPolarHBondContact CA-O 3.42Å; P139-I160 VanDerWaalsContact CD-O 3.31Å; P139-I160 WeakPolarHBondContact CD-O 3.25Å; L141-I160 HydrophobicContact CD1-CD1 4.06Å; L141-I160 HydrophobicContact CD1-CG1 3.85Å; I156-I160 HydrophobicContact CG2-CD1 4.48Å; I156-I160 WeakPolarHBondContact O-CG1 3.41Å; I156-I160 PolarHBondContact O-N 2.99Å
161A98.6Very high96.9Very high3 Ų343.2 Ų43.23%0.02527%0.271CS..SBendtrans-63.9155.1-178.400000112.3P139 L141 F157 K163 P169 C171P139-A161 CarbonylContact O-C 3.58Å; P139-A161 VanDerWaalsContact O-CA 3.29Å; P139-A161 WeakPolarHBondContact O-CA 3.41Å; L141-A161 HydrophobicContact CD1-CB 4.36Å; F157-A161 VanDerWaalsContact O-CB 3.27Å; F157-A161 WeakPolarHBondContact O-CB 3.4Å; F157-A161 PolarHBondContact O-N 2.77Å; F157-A161 VanDerWaalsContact O-N 3.12Å; A161-K163 PolarHBondContact O-NZ 3.45Å; A161-P169 HydrophobicContact CB-CB 4.43Å; A161-C171 HydrophobicContact CB-CB 3.58Å
162A97.9Very high96.9Very high14 Ų1441.5 Ų41.512%0.11626%0.257CS..  trans-53.2147.4167.800000110.8G138 P139 P169 C170G138-A162 VanDerWaalsContact O-CB 3.31Å; G138-A162 WeakPolarHBondContact O-CB 3.44Å; P139-A162 PolarHBondContact O-N 3.06Å; A162-P169 CarbonylContact O-C 3.54Å; A162-P169 WeakPolarHBondContact O-CA 3.31Å; A162-C170 HydrophobicContact CB-CB 4.12Å; A162-C170 WeakPolarHBondContact O-CB 3.41Å; A162-C170 PolarHBondContact O-N 2.85Å; A162-C170 PolarHBondContact O-SG 3.19Å
163K97.2Very high96.9Very high96 Ų9639.1 Ų39.142%0.41725%0.245SC..BIsolated β-bridgetrans-110.1138.8171.7-53-57.2-174.5-79.30109.2Q158 G159 A161 E168 P169Q158-K163 VanDerWaalsContact O-CE 3.29Å; Q158-K163 WeakPolarHBondContact O-CE 3.41Å; Q158-K163 PolarHBondContact O-NZ 2.68Å; G159-K163 PolarHBondContact O-NZ 3.03Å; A161-K163 PolarHBondContact O-NZ 3.45Å; K163-E168 WeakPolarHBondContact CA-O 3.47Å; K163-P169 HydrophobicContact CD-CB 3.96Å
164V92.5Very high96.8Very high15 Ų1539.3 Ų39.39%0.09125%0.246CC..  trans-76.3166.9167.3-65.20000109.9T166 G167 E168 L360 R363V164-T166 WeakPolarHBondContact CG2-OG1 3.47Å; V164-T166 PolarHBondContact O-N 3.04Å; V164-G167 PolarHBondContact O-N 3.18Å; V164-E168 HydrophobicContact CG2-CB 3.97Å; V164-E168 VanDerWaalsContact CG2-OE2 3.27Å; V164-E168 WeakPolarHBondContact CG2-OE2 3.43Å; V164-E168 PolarHBondContact N-O 3.46Å; V164-L360 HydrophobicContact CG1-CD1 4.09Å; V164-L360 HydrophobicContact CG2-CD1 4.05Å; V164-R363 HydrophobicContact CG1-CB 3.66Å
165G86.6Confident96.6Very high92 Ų9235.3 Ų35.395%0.94823%0.229SC*.THydrogen-bonded Turntrans-57.5-21.5-175.100000115.4
166T88.8Confident96.5Very high103 Ų10333.6 Ų33.663%0.63222%0.216SC*.THydrogen-bonded Turntrans-87.5-1.8175.839.10000114V164 E168V164-T166 WeakPolarHBondContact CG2-OG1 3.47Å; V164-T166 PolarHBondContact O-N 3.04Å; T166-E168 WeakPolarHBondContact CB-OE2 3.33Å; T166-E168 PolarHBondContact OG1-OE2 3.47Å
167G94.3Very high96.4Very high48 Ų4835.3 Ų35.350%0.49522%0.224SC..SBendtrans97.6-9.9173.100000115.4V164V164-G167 PolarHBondContact O-N 3.18Å
168E97Very high96.4Very high76 Ų7635 Ų3536%0.35522%0.222SC..  trans-69.6139.6-178.8-58.992144.900111.9K163 V164 T166 L360K163-E168 WeakPolarHBondContact CA-O 3.47Å; V164-E168 HydrophobicContact CG2-CB 3.97Å; V164-E168 VanDerWaalsContact CG2-OE2 3.27Å; V164-E168 WeakPolarHBondContact CG2-OE2 3.43Å; V164-E168 PolarHBondContact N-O 3.46Å; T166-E168 WeakPolarHBondContact CB-OE2 3.33Å; T166-E168 PolarHBondContact OG1-OE2 3.47Å; E168-L360 HydrophobicContact CB-CD1 4.28Å; E168-L360 HydrophobicContact CB-CD2 4.21Å
169P98.1Very high96.4Very high26 Ų2632.8 Ų32.817%0.16921%0.212CC..BIsolated β-bridgetrans-72.1138.7175.730.8-34.3000111.8Q158 A161 A162 K163 C171Q158-P169 HydrophobicContact CB-CB 3.98Å; Q158-P169 HydrophobicContact CB-CG 3.93Å; Q158-P169 HydrophobicContact CG-CB 4.18Å; Q158-P169 HydrophobicContact CG-CG 3.86Å; A161-P169 HydrophobicContact CB-CB 4.43Å; A162-P169 CarbonylContact O-C 3.54Å; A162-P169 WeakPolarHBondContact O-CA 3.31Å; K163-P169 HydrophobicContact CD-CB 3.96Å; P169-C171 PolarHBondContact O-N 3.13Å
170C98.3Very high96.4Very high0 Ų031.7 Ų31.70%020%0.201CC..SBendtrans-75.849.3168.5-59.80000110.3L141 A162 G364L141-C170 PolarHBondContact N-O 2.97Å; L141-C170 VanDerWaalsContact N-O 3.14Å; A162-C170 HydrophobicContact CB-CB 4.12Å; A162-C170 WeakPolarHBondContact O-CB 3.41Å; A162-C170 PolarHBondContact O-N 2.85Å; A162-C170 PolarHBondContact O-SG 3.19Å; C170-G364 WeakPolarHBondContact SG-CA 3.26Å; C170-G364 PolarHBondContact SG-N 3.27Å; C170-G364 VanDerWaalsContact SG-N 3.41Å
171C98.6Very high96.4Very high1 Ų131.8 Ų31.81%0.00720%0.202CC..BIsolated β-bridgetrans-161.2120.3-177.6177.40000110.2L141 Q158 A161 P169L141-C171 HydrophobicContact CB-CB 3.96Å; L141-C171 WeakPolarHBondContact O-CA 3.36Å; Q158-C171 HydrophobicContact CG-CB 4.39Å; Q158-C171 PolarHBondContact NE2-O 3.19Å; A161-C171 HydrophobicContact CB-CB 3.58Å; P169-C171 PolarHBondContact O-N 3.13Å
172D98.3Very high96.4Very high54 Ų5431.7 Ų31.729%0.28920%0.2SC..  trans-148.5170.4168-158.67.3000110.3P143 V174 M361P143-D172 WeakPolarHBondContact CD-O 3.36Å; P143-D172 WeakPolarHBondContact CG-O 3.48Å; D172-V174 PolarHBondContact O-N 2.84Å; D172-M361 PolarHBondContact N-SD 3.16Å
173W98.4Very high96.5Very high28 Ų2831 Ų3111%0.10620%0.195CC..  trans-66.1117.6176.5-172-101.1000111V124 P143 G145 N146 K147 W150 G175V124-W173 HydrophobicContact CG1-CZ3 4.29Å; V124-W173 HydrophobicContact CG2-CH2 4.26Å; V124-W173 HydrophobicContact CG2-CZ3 4.2Å; P143-W173 HydrophobicContact CB-CE3 4.29Å; P143-W173 HydrophobicContact CB-CZ3 4.31Å; G145-W173 WeakPolarHBondContact O-CZ2 3.39Å; N146-W173 WeakPolarHBondContact O-CH2 3.47Å; K147-W173 HydrophobicContact CB-CZ2 3.85Å; K147-W173 HydrophobicContact CG-CD2 4.44Å; K147-W173 HydrophobicContact CG-CZ2 4.26Å; W150-W173 HydrophobicContact CB-CD2 4.14Å; W150-W173 HydrophobicContact CB-CE3 3.66Å; W150-W173 HydrophobicContact CB-CZ3 4.02Å; W150-W173 HydrophobicContact CD2-CB 4.1Å; W150-W173 HydrophobicContact CD2-CD2 4.48Å; W150-W173 AromaticContact CD2-CE3 3.84Å; W150-W173 HydrophobicContact CD2-CE3 3.84Å; W150-W173 AromaticContact CE3-CE3 3.8Å; W150-W173 HydrophobicContact CE3-CE3 3.8Å; W150-W173 HydrophobicContact CE3-CZ3 4.43Å; W150-W173 HydrophobicContact CG-CB 4.17Å; W150-W173 HydrophobicContact CG-CD2 4.21Å; W150-W173 AromaticContact CG-CE3 3.82Å; W150-W173 HydrophobicContact CG-CE3 3.82Å; W150-W173 HydrophobicContact CG-CG 4.39Å; W150-W173 HydrophobicContact CZ2-CB 4.42Å; W173-G175 WeakPolarHBondContact CZ2-O 3.48Å; W173-G175 PolarHBondContact NE1-O 3.12Å
174V97.9Very high96.5Very high3 Ų327 Ų272%0.01818%0.177CC..  trans-75.7-48.4-176.9176.70000111.6M142 P143 D172 A179 V183 L353 M361M142-V174 HydrophobicContact CB-CG2 3.9Å; P143-V174 WeakPolarHBondContact O-CB 3.27Å; P143-V174 WeakPolarHBondContact O-CG2 3.34Å; P143-V174 PolarHBondContact O-N 3.18Å; D172-V174 PolarHBondContact O-N 2.84Å; V174-A179 HydrophobicContact CG1-CB 3.92Å; V174-V183 HydrophobicContact CG1-CB 4.16Å; V174-V183 HydrophobicContact CG1-CG2 3.46Å; V174-V183 VanDerWaalsContact CG1-CG2 3.46Å; V174-L353 HydrophobicContact CG1-CD2 4.19Å; V174-M361 HydrophobicContact CG2-CE 3.57Å; V174-M361 HydrophobicContact CG2-SD 3.95Å
175G95.1Very high96.8Very high2 Ų226.8 Ų26.82%0.02118%0.176CC..EExtended strand (participates in β ladder)trans158.5-171.7-171.100000113.1G144 G145 W173G144-G175 CarbonylContact C-O 3.5Å; G144-G175 WeakPolarHBondContact CA-O 3.49Å; G145-G175 PolarHBondContact N-O 3.14Å; W173-G175 WeakPolarHBondContact CZ2-O 3.48Å; W173-G175 PolarHBondContact NE1-O 3.12Å
176D95.6Very high97.4Very high67 Ų6722.4 Ų22.436%0.35813%0.13SC..EExtended strand (participates in β ladder)trans-76.2157.9-174-54.6-83.7000113.1G145 G178 A179 W351G145-D176 WeakPolarHBondContact O-CA 3.2Å; D176-G178 PolarHBondContact O-N 2.98Å; D176-G178 VanDerWaalsContact O-N 3.16Å; D176-A179 WeakPolarHBondContact O-CB 3.38Å; D176-A179 PolarHBondContact O-N 2.66Å; D176-W351 PolarHBondContact O-NE1 2.76Å
177E97.6Very high97.9Very high37 Ų3717.5 Ų17.517%0.17310%0.1CC..THydrogen-bonded Turntrans51.4-115.8167.9-54.5-174.9142.900114.5T110 R114 G145 A179T110-E177 HydrophobicContact CG2-CB 4.11Å; T110-E177 HydrophobicContact CG2-CG 4.49Å; T110-E177 WeakPolarHBondContact CG2-OE2 3.26Å; R114-E177 IonicContact CZ-OE1 3.34Å; R114-E177 VanDerWaalsContact CZ-OE1 3.26Å; R114-E177 IonicContact CZ-OE2 3.52Å; R114-E177 IonicContact NE-OE1 4Å; R114-E177 PolarHBondContact NE-OE1 3.17Å; R114-E177 IonicContact NE-OE2 2.72Å; R114-E177 VanDerWaalsContact NH2-CD 3.32Å; R114-E177 IonicContact NH2-OE1 3.73Å; R114-E177 PolarHBondContact NH2-OE1 3.03Å; R114-E177 IonicContact NH2-OE2 2.73Å; R114-E177 PolarHBondContact NH2-OE2 3.32Å; G145-E177 VanDerWaalsContact CA-O 3.25Å; G145-E177 WeakPolarHBondContact CA-O 3.42Å; G145-E177 PolarHBondContact N-O 3.47Å; G145-E177 PolarHBondContact O-N 2.88Å; E177-A179 VanDerWaalsContact C-N 3.31Å; E177-A179 PolarHBondContact O-N 2.88Å
178G98.4Very high98Very high0 Ų015.9 Ų15.90%08%0.08CC..THydrogen-bonded Turntrans-81.1-0.5-178.700000115.3T110 D176 G180 H181 F182T110-G178 PolarHBondContact OG1-N 2.98Å; D176-G178 PolarHBondContact O-N 2.98Å; D176-G178 VanDerWaalsContact O-N 3.16Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.8Å; G178-H181 PolarHBondContact O-N 2.95Å; G178-H181 VanDerWaalsContact O-N 3.13Å; G178-F182 PolarHBondContact O-N 3.23Å
179A98.6Very high98.1Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-56-42.8-167.800000113.6V174 D176 E177 H181 F182 V183 W351 L353V174-A179 HydrophobicContact CG1-CB 3.92Å; D176-A179 WeakPolarHBondContact O-CB 3.38Å; D176-A179 PolarHBondContact O-N 2.66Å; E177-A179 VanDerWaalsContact C-N 3.31Å; E177-A179 PolarHBondContact O-N 2.88Å; A179-H181 PolarHBondContact O-N 3.41Å; A179-F182 PolarHBondContact O-N 3.31Å; A179-V183 WeakPolarHBondContact O-CG2 3.15Å; A179-V183 PolarHBondContact O-N 3.46Å; A179-W351 HydrophobicContact CB-CD2 3.84Å; A179-W351 HydrophobicContact CB-CE3 3.79Å; A179-W351 HydrophobicContact CB-CG 4.38Å; A179-W351 HydrophobicContact CB-CH2 4.41Å; A179-W351 HydrophobicContact CB-CZ2 4.45Å; A179-W351 HydrophobicContact CB-CZ3 4.1Å; A179-L353 HydrophobicContact CB-CD2 3.99Å
180G98.6Very high98.1Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-60.4-44.2178.800000113.6M142 G178 K184M142-G180 CarbonylContact O-C 3.58Å; M142-G180 WeakPolarHBondContact O-CA 3.37Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.8Å; G180-K184 PolarHBondContact O-N 3.44Å
181H98.8Very high98.1Very high3 Ų312.5 Ų12.51%0.0146%0.062CC..Hα-helixtrans-74.2-30175.5-74.5153000112.9D100 G102 T109 G125 S126 G178 A179 K184 M185D100-H181 PolarHBondContact O-CE1 3.18Å; D100-H181 PolarHBondContact O-NE2 3Å; D100-H181 IonicContact OD2-CE1 2.82Å; G102-H181 PolarHBondContact O-NE2 2.94Å; T109-H181 PolarHBondContact OG1-ND1 2.71Å; G125-H181 WeakPolarHBondContact CA-CE1 3.48Å; S126-H181 PolarHBondContact N-NE2 3.38Å; S126-H181 PolarHBondContact O-NE2 2.91Å; G178-H181 PolarHBondContact O-N 2.95Å; G178-H181 VanDerWaalsContact O-N 3.13Å; A179-H181 PolarHBondContact O-N 3.41Å; H181-K184 PolarHBondContact O-N 2.78Å; H181-M185 WeakPolarHBondContact O-CB 3.39Å; H181-M185 PolarHBondContact O-N 3.04Å
182F98.8Very high98.1Very high0 Ų013 Ų130%06%0.064CC..Hα-helixtrans-64.7-48.3172.4-167.8-86.3000111.2Y106 G178 A179 K184 M185 V186 S270 Y274 L341 L342 A345 W351Y106-F182 AromaticContact CD1-CD2 3.68Å; Y106-F182 HydrophobicContact CD1-CD2 3.68Å; Y106-F182 HydrophobicContact CD1-CE2 4.31Å; Y106-F182 AromaticContact CD2-CD2 3.83Å; Y106-F182 HydrophobicContact CD2-CD2 3.83Å; Y106-F182 AromaticContact CE1-CD2 3.81Å; Y106-F182 HydrophobicContact CE1-CD2 3.81Å; Y106-F182 AromaticContact CE1-CE2 3.98Å; Y106-F182 HydrophobicContact CE1-CE2 3.98Å; Y106-F182 AromaticContact CE2-CD2 3.95Å; Y106-F182 HydrophobicContact CE2-CD2 3.95Å; Y106-F182 HydrophobicContact CE2-CE2 4.3Å; Y106-F182 HydrophobicContact CG-CB 4.25Å; Y106-F182 AromaticContact CG-CD2 3.67Å; Y106-F182 HydrophobicContact CG-CD2 3.67Å; Y106-F182 HydrophobicContact CG-CG 4.47Å; Y106-F182 AromaticContact CZ-CD2 3.91Å; Y106-F182 AromaticContact CZ-CE2 3.95Å; G178-F182 PolarHBondContact O-N 3.23Å; A179-F182 PolarHBondContact O-N 3.31Å; F182-K184 VanDerWaalsContact C-N 3.27Å; F182-K184 PolarHBondContact O-N 3.18Å; F182-M185 HydrophobicContact CD2-CE 3.79Å; F182-M185 HydrophobicContact CE1-CE 4.37Å; F182-M185 HydrophobicContact CE2-CE 3.51Å; F182-M185 HydrophobicContact CG-CE 4.33Å; F182-M185 HydrophobicContact CZ-CE 3.82Å; F182-M185 WeakPolarHBondContact O-CB 3.27Å; F182-M185 PolarHBondContact O-N 3.46Å; F182-M185 VanDerWaalsContact O-N 3.08Å; F182-V186 HydrophobicContact CD1-CG2 3.95Å; F182-V186 HydrophobicContact CE1-CG2 3.62Å; F182-V186 HydrophobicContact CZ-CG2 4.3Å; F182-V186 WeakPolarHBondContact O-CG2 3.42Å; F182-V186 PolarHBondContact O-N 3.22Å; F182-S270 WeakPolarHBondContact CE2-OG 3.34Å; F182-Y274 HydrophobicContact CE2-CE2 4.43Å; F182-L341 HydrophobicContact CE1-CG 4.32Å; F182-L341 HydrophobicContact CZ-CD1 4.31Å; F182-L341 HydrophobicContact CZ-CG 4.11Å; F182-L342 HydrophobicContact CD1-CD2 3.92Å; F182-L342 HydrophobicContact CE1-CD2 4.04Å; F182-A345 HydrophobicContact CD1-CB 4.02Å; F182-A345 HydrophobicContact CE1-CB 3.41Å; F182-A345 VanDerWaalsContact CE1-CB 3.41Å; F182-A345 HydrophobicContact CE2-CB 4.02Å; F182-A345 HydrophobicContact CZ-CB 3.42Å; F182-A345 VanDerWaalsContact CZ-CB 3.42Å; F182-W351 HydrophobicContact CB-CH2 3.9Å; F182-W351 HydrophobicContact CB-CZ3 3.72Å; F182-W351 HydrophobicContact CD1-CZ3 4.28Å; F182-W351 HydrophobicContact CD2-CH2 4.41Å; F182-W351 HydrophobicContact CD2-CZ3 4.32Å; F182-W351 HydrophobicContact CG-CH2 4.24Å; F182-W351 AromaticContact CG-CZ3 3.85Å; F182-W351 HydrophobicContact CG-CZ3 3.85Å
183V98.6Very high98.1Very high0 Ų010.4 Ų10.40%05%0.05CC..Hα-helixtrans-58-42.4174.4171.20000110.7M142 V174 A179 M185 V186 H187 L342 I358 W362M142-V183 HydrophobicContact CG-CG1 4.4Å; M142-V183 HydrophobicContact SD-CG1 3.8Å; V174-V183 HydrophobicContact CG1-CB 4.16Å; V174-V183 HydrophobicContact CG1-CG2 3.46Å; V174-V183 VanDerWaalsContact CG1-CG2 3.46Å; A179-V183 WeakPolarHBondContact O-CG2 3.15Å; A179-V183 PolarHBondContact O-N 3.46Å; V183-M185 VanDerWaalsContact C-N 3.35Å; V183-M185 PolarHBondContact O-N 3.27Å; V183-V186 PolarHBondContact O-N 3Å; V183-H187 PolarHBondContact O-N 2.92Å; V183-L342 HydrophobicContact CG2-CD2 3.92Å; V183-I358 HydrophobicContact CG1-CG1 4.17Å; V183-I358 HydrophobicContact CG1-CG2 3.77Å; V183-I358 HydrophobicContact CG2-CD1 3.67Å; V183-I358 HydrophobicContact CG2-CG1 4.09Å; V183-W362 HydrophobicContact CG1-CZ2 3.59Å; V183-W362 WeakPolarHBondContact O-CZ2 3.08Å
184K98.5Very high98.1Very high11 Ų119.2 Ų9.25%0.0485%0.046CC..Hα-helixtrans-61.6-42.4174.9-177.360.8-167.5-570112.6N103 V128 M142 G180 H181 F182 H187 N188N103-K184 PolarHBondContact OD1-NZ 3.08Å; V128-K184 WeakPolarHBondContact O-CE 3.45Å; V128-K184 PolarHBondContact O-NZ 3.33Å; M142-K184 HydrophobicContact CE-CD 4.17Å; M142-K184 HydrophobicContact SD-CB 4.08Å; M142-K184 HydrophobicContact SD-CD 4.09Å; G180-K184 PolarHBondContact O-N 3.44Å; H181-K184 PolarHBondContact O-N 2.78Å; F182-K184 VanDerWaalsContact C-N 3.27Å; F182-K184 PolarHBondContact O-N 3.18Å; K184-H187 WeakPolarHBondContact O-CB 3.25Å; K184-H187 PolarHBondContact O-N 3.27Å; K184-N188 VanDerWaalsContact CE-ND2 3.35Å; K184-N188 WeakPolarHBondContact CE-ND2 3.46Å; K184-N188 PolarHBondContact O-N 3.29Å; K184-N188 VanDerWaalsContact O-N 3.11Å; K184-N188 PolarHBondContact O-ND2 2.8Å
185M98.4Very high98.2Very high11 Ų1112.6 Ų12.65%0.0546%0.063CC..Hα-helixtrans-57.8-51.6176.4179.1-166.973.500110.3Y106 H181 F182 V183 H187 N188 G189 W266 T267Y106-M185 HydrophobicContact CD1-SD 4.14Å; Y106-M185 HydrophobicContact CE1-CE 4.4Å; Y106-M185 HydrophobicContact CE1-SD 4.21Å; H181-M185 WeakPolarHBondContact O-CB 3.39Å; H181-M185 PolarHBondContact O-N 3.04Å; F182-M185 HydrophobicContact CD2-CE 3.79Å; F182-M185 HydrophobicContact CE1-CE 4.37Å; F182-M185 HydrophobicContact CE2-CE 3.51Å; F182-M185 HydrophobicContact CG-CE 4.33Å; F182-M185 HydrophobicContact CZ-CE 3.82Å; F182-M185 WeakPolarHBondContact O-CB 3.27Å; F182-M185 PolarHBondContact O-N 3.46Å; F182-M185 VanDerWaalsContact O-N 3.08Å; V183-M185 VanDerWaalsContact C-N 3.35Å; V183-M185 PolarHBondContact O-N 3.27Å; M185-H187 VanDerWaalsContact C-N 3.33Å; M185-H187 PolarHBondContact O-N 2.86Å; M185-N188 WeakPolarHBondContact O-CA 3.44Å; M185-N188 WeakPolarHBondContact O-CB 3.45Å; M185-N188 PolarHBondContact O-N 2.89Å; M185-G189 PolarHBondContact O-N 2.92Å; M185-W266 HydrophobicContact CG-CB 3.86Å; M185-W266 VanDerWaalsContact SD-C 3.6Å; M185-W266 HydrophobicContact SD-CB 3.5Å; M185-W266 WeakPolarHBondContact SD-CB 3.39Å; M185-T267 PolarHBondContact O-OG1 3.07Å
186V98.6Very high98.4Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-60.8-40.11791800000111.6F182 V183 N188 G189 I190 T267 L341 L342 W362F182-V186 HydrophobicContact CD1-CG2 3.95Å; F182-V186 HydrophobicContact CE1-CG2 3.62Å; F182-V186 HydrophobicContact CZ-CG2 4.3Å; F182-V186 WeakPolarHBondContact O-CG2 3.42Å; F182-V186 PolarHBondContact O-N 3.22Å; V183-V186 PolarHBondContact O-N 3Å; V186-N188 VanDerWaalsContact C-N 3.3Å; V186-N188 PolarHBondContact O-N 3.33Å; V186-G189 WeakPolarHBondContact O-CA 3.34Å; V186-G189 PolarHBondContact O-N 3.16Å; V186-I190 HydrophobicContact CG1-CD1 4.3Å; V186-I190 PolarHBondContact O-N 3.07Å; V186-T267 HydrophobicContact CG2-CG2 4.49Å; V186-L341 HydrophobicContact CG2-CD2 3.94Å; V186-L341 HydrophobicContact CG2-CG 4.41Å; V186-L342 HydrophobicContact CB-CD2 4.13Å; V186-L342 HydrophobicContact CG1-CD2 4.34Å; V186-L342 HydrophobicContact CG1-CG 4.25Å; V186-L342 HydrophobicContact CG2-CD2 3.85Å; V186-L342 HydrophobicContact CG2-CG 4.47Å; V186-W362 HydrophobicContact CG1-CH2 4.22Å
187H98.6Very high98.5Very high0 Ų011.1 Ų11.10%05%0.053CC..Hα-helixtrans-53-45.7170.6163.2-65.4000112S129 M142 V183 K184 M185 G189 I190 E191 W362 C366S129-H187 PolarHBondContact OG-CE1 2.76Å; S129-H187 PolarHBondContact OG-NE2 3.29Å; S129-H187 VanDerWaalsContact OG-NE2 3.15Å; M142-H187 HydrophobicContact CE-CB 4.48Å; V183-H187 PolarHBondContact O-N 2.92Å; K184-H187 WeakPolarHBondContact O-CB 3.25Å; K184-H187 PolarHBondContact O-N 3.27Å; M185-H187 VanDerWaalsContact C-N 3.33Å; M185-H187 PolarHBondContact O-N 2.86Å; H187-G189 VanDerWaalsContact C-N 3.32Å; H187-G189 PolarHBondContact O-N 3.13Å; H187-I190 PolarHBondContact O-N 3.38Å; H187-E191 IonicContact CE1-OE2 3.65Å; H187-E191 PolarHBondContact CE1-OE2 2.89Å; H187-E191 WeakPolarHBondContact O-CB 3.4Å; H187-E191 PolarHBondContact O-N 3.01Å; H187-W362 HydrophobicContact CB-CZ2 3.78Å; H187-W362 AromaticContact CD2-CD1 3.79Å; H187-W362 AromaticContact CD2-NE1 3.93Å; H187-C366 VanDerWaalsContact NE2-CB 3.31Å; H187-C366 WeakPolarHBondContact NE2-CB 3.23Å; H187-C366 PolarHBondContact NE2-SG 2.76Å
188N97.6Very high98.6Very high14 Ų149.9 Ų9.98%0.0755%0.048CC..Hα-helixtrans-66.2-36.1178.5-74-112.3000111.5K184 M185 V186 E191 Y192 T263K184-N188 VanDerWaalsContact CE-ND2 3.35Å; K184-N188 WeakPolarHBondContact CE-ND2 3.46Å; K184-N188 PolarHBondContact O-N 3.29Å; K184-N188 VanDerWaalsContact O-N 3.11Å; K184-N188 PolarHBondContact O-ND2 2.8Å; M185-N188 WeakPolarHBondContact O-CA 3.44Å; M185-N188 WeakPolarHBondContact O-CB 3.45Å; M185-N188 PolarHBondContact O-N 2.89Å; V186-N188 VanDerWaalsContact C-N 3.3Å; V186-N188 PolarHBondContact O-N 3.33Å; N188-E191 WeakPolarHBondContact O-CB 3.46Å; N188-E191 PolarHBondContact O-N 3.32Å; N188-Y192 WeakPolarHBondContact O-CD1 3.5Å; N188-Y192 PolarHBondContact O-N 3.1Å; N188-Y192 VanDerWaalsContact O-N 3.09Å; N188-T263 PolarHBondContact OD1-OG1 2.88Å
189G98.3Very high98.6Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-60.9-48.1173.300000111.8M185 V186 H187 E191 Y192 G193 I281M185-G189 PolarHBondContact O-N 2.92Å; V186-G189 WeakPolarHBondContact O-CA 3.34Å; V186-G189 PolarHBondContact O-N 3.16Å; H187-G189 VanDerWaalsContact C-N 3.32Å; H187-G189 PolarHBondContact O-N 3.13Å; G189-E191 VanDerWaalsContact C-N 3.32Å; G189-E191 PolarHBondContact O-N 3.34Å; G189-Y192 WeakPolarHBondContact O-CB 3.47Å; G189-Y192 PolarHBondContact O-N 2.8Å; G189-Y192 VanDerWaalsContact O-N 3.11Å; G189-G193 PolarHBondContact O-N 2.87Å; G189-G193 VanDerWaalsContact O-N 3.08Å; G189-I281 VanDerWaalsContact C-CD1 3.46Å; G189-I281 WeakPolarHBondContact O-CG1 3.47Å
190I98.7Very high98.6Very high0 Ų013.2 Ų13.20%07%0.07CC..Hα-helixtrans-60.7-41.6175.9-70.5178.5000111V186 H187 Y192 G193 D194 I281 Y335 W362 I368V186-I190 HydrophobicContact CG1-CD1 4.3Å; V186-I190 PolarHBondContact O-N 3.07Å; H187-I190 PolarHBondContact O-N 3.38Å; I190-Y192 VanDerWaalsContact C-N 3.26Å; I190-Y192 PolarHBondContact O-N 2.85Å; I190-G193 PolarHBondContact O-N 3.21Å; I190-G193 VanDerWaalsContact O-N 3.11Å; I190-D194 PolarHBondContact O-N 3.23Å; I190-I281 HydrophobicContact CG1-CD1 3.95Å; I190-Y335 HydrophobicContact CD1-CD1 4.05Å; I190-Y335 HydrophobicContact CD1-CE1 4.29Å; I190-Y335 HydrophobicContact CD1-CG 4.38Å; I190-Y335 HydrophobicContact CG2-CD1 4.25Å; I190-Y335 HydrophobicContact CG2-CD2 4.01Å; I190-Y335 HydrophobicContact CG2-CE1 3.69Å; I190-Y335 HydrophobicContact CG2-CE2 3.42Å; I190-Y335 VanDerWaalsContact CG2-CE2 3.42Å; I190-Y335 HydrophobicContact CG2-CG 4.42Å; I190-Y335 WeakPolarHBondContact CG2-OH 3.2Å; I190-W362 HydrophobicContact CD1-CH2 4Å; I190-W362 HydrophobicContact CD1-CZ3 3.64Å; I190-I368 HydrophobicContact CB-CD1 4.32Å; I190-I368 HydrophobicContact CG2-CD1 3.81Å; I190-I368 HydrophobicContact CG2-CG2 4.35Å
191E98.5Very high98.7Very high32 Ų3213.2 Ų13.215%0.157%0.07CC..Hα-helixtrans-55.7-41.5174.2-174.5-172.8109.300111.6H187 N188 G189 D194 M195 I367 I368H187-E191 IonicContact CE1-OE2 3.65Å; H187-E191 PolarHBondContact CE1-OE2 2.89Å; H187-E191 WeakPolarHBondContact O-CB 3.4Å; H187-E191 PolarHBondContact O-N 3.01Å; N188-E191 WeakPolarHBondContact O-CB 3.46Å; N188-E191 PolarHBondContact O-N 3.32Å; G189-E191 VanDerWaalsContact C-N 3.32Å; G189-E191 PolarHBondContact O-N 3.34Å; E191-D194 PolarHBondContact O-N 2.87Å; E191-M195 HydrophobicContact CG-SD 4.17Å; E191-M195 WeakPolarHBondContact O-CB 3.36Å; E191-M195 WeakPolarHBondContact O-CG 3.41Å; E191-M195 PolarHBondContact O-N 2.67Å; E191-I367 HydrophobicContact CG-CB 4.34Å; E191-I367 HydrophobicContact CG-CG2 3.9Å; E191-I367 VanDerWaalsContact OE2-CB 3.31Å; E191-I367 WeakPolarHBondContact OE2-CB 3.49Å; E191-I368 VanDerWaalsContact CA-CG2 3.48Å; E191-I368 HydrophobicContact CB-CG2 3.64Å; E191-I368 HydrophobicContact CG-CG2 4.13Å
192Y98.5Very high98.7Very high10 Ų1015.5 Ų15.54%0.0398%0.078CC..Hα-helixtrans-66.5-41.7177.9-78.835.4000111N188 G189 I190 Q196 Q260 V285 R288N188-Y192 WeakPolarHBondContact O-CD1 3.5Å; N188-Y192 PolarHBondContact O-N 3.1Å; N188-Y192 VanDerWaalsContact O-N 3.09Å; G189-Y192 WeakPolarHBondContact O-CB 3.47Å; G189-Y192 PolarHBondContact O-N 2.8Å; G189-Y192 VanDerWaalsContact O-N 3.11Å; I190-Y192 VanDerWaalsContact C-N 3.26Å; I190-Y192 PolarHBondContact O-N 2.85Å; Y192-Q196 WeakPolarHBondContact O-CB 3.48Å; Y192-Q196 PolarHBondContact O-N 3.29Å; Y192-Q260 HydrophobicContact CE2-CB 3.93Å; Y192-Q260 WeakPolarHBondContact OH-CB 3.49Å; Y192-V285 HydrophobicContact CD2-CG2 4.12Å; Y192-R288 VanDerWaalsContact CD2-CZ 3.46Å; Y192-R288 VanDerWaalsContact CD2-NE 3.26Å; Y192-R288 VanDerWaalsContact CE2-CZ 3.41Å; Y192-R288 VanDerWaalsContact CG-NH2 3.31Å; Y192-R288 VanDerWaalsContact CZ-CZ 3.5Å
193G98.7Very high98.7Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-59.4-51.9174.300000112.4G189 I190 M195 Q196 L197 L280G189-G193 PolarHBondContact O-N 2.87Å; G189-G193 VanDerWaalsContact O-N 3.08Å; I190-G193 PolarHBondContact O-N 3.21Å; I190-G193 VanDerWaalsContact O-N 3.11Å; G193-M195 PolarHBondContact O-N 2.77Å; G193-Q196 PolarHBondContact O-N 3.17Å; G193-L197 VanDerWaalsContact O-CG 3.27Å; G193-L197 WeakPolarHBondContact O-CG 3.32Å; G193-L197 PolarHBondContact O-N 3.02Å; G193-L280 VanDerWaalsContact CA-CD2 3.42Å
194D98.8Very high98.7Very high4 Ų418 Ų182%0.0219%0.09CC..Hα-helixtrans-59.2-45.4-179.7-82.7-4.3000111.8I190 E191 Q196 L197 I198 L232 K331 Y335I190-D194 PolarHBondContact O-N 3.23Å; E191-D194 PolarHBondContact O-N 2.87Å; D194-Q196 PolarHBondContact O-N 3.29Å; D194-L197 PolarHBondContact O-N 3.46Å; D194-I198 VanDerWaalsContact O-CG1 3.28Å; D194-I198 WeakPolarHBondContact O-CG1 3.45Å; D194-I198 PolarHBondContact O-N 2.9Å; D194-I198 VanDerWaalsContact O-N 3.11Å; D194-L232 HydrophobicContact CB-CD1 3.68Å; D194-K331 WeakPolarHBondContact OD1-CE 3.41Å; D194-K331 VanDerWaalsContact OD2-CE 3.27Å; D194-K331 WeakPolarHBondContact OD2-CE 2.88Å; D194-K331 IonicContact OD2-NZ 3.66Å; D194-K331 PolarHBondContact OD2-NZ 3.37Å; D194-Y335 WeakPolarHBondContact OD1-CE2 3.42Å; D194-Y335 PolarHBondContact OD2-OH 3.46Å
195M98.8Very high98.7Very high74 Ų7417.5 Ų17.537%0.3659%0.088SC..Hα-helixtrans-60.7-45.2176.7-69.8172.570.500112E191 G193 I198 C199 L232 R288E191-M195 HydrophobicContact CG-SD 4.17Å; E191-M195 WeakPolarHBondContact O-CB 3.36Å; E191-M195 WeakPolarHBondContact O-CG 3.41Å; E191-M195 PolarHBondContact O-N 2.67Å; G193-M195 PolarHBondContact O-N 2.77Å; M195-I198 PolarHBondContact O-N 3.45Å; M195-C199 PolarHBondContact O-N 3.3Å; M195-C199 PolarHBondContact O-SG 3.18Å; M195-L232 HydrophobicContact CG-CD1 4.17Å; M195-L232 HydrophobicContact CG-CD2 4.24Å; M195-R288 PolarHBondContact SD-NH2 2.89Å; M195-R288 VanDerWaalsContact SD-NH2 3.36Å
196Q98.9Very high98.7Very high37 Ų3720 Ų2017%0.17310%0.099CC..Hα-helixtrans-67.3-40.1-178.1179.657.638.700111.7Y192 G193 D194 I198 C199 E200 A284 A287 C422Y192-Q196 WeakPolarHBondContact O-CB 3.48Å; Y192-Q196 PolarHBondContact O-N 3.29Å; G193-Q196 PolarHBondContact O-N 3.17Å; D194-Q196 PolarHBondContact O-N 3.29Å; Q196-I198 VanDerWaalsContact C-N 3.32Å; Q196-I198 PolarHBondContact O-N 3.48Å; Q196-C199 WeakPolarHBondContact O-CB 3.04Å; Q196-C199 PolarHBondContact O-N 3.05Å; Q196-E200 PolarHBondContact NE2-OE1 2.93Å; Q196-E200 WeakPolarHBondContact O-CG 3.34Å; Q196-E200 PolarHBondContact O-N 3.27Å; Q196-A284 HydrophobicContact CB-CB 3.88Å; Q196-A284 HydrophobicContact CG-CB 4.27Å; Q196-A287 HydrophobicContact CG-CB 4.26Å; Q196-C422 HydrophobicContact CG-CB 4.18Å; Q196-C422 WeakPolarHBondContact CG-SG 3.35Å
197L98.9Very high98.7Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-60.3-41.3174.3-69.6173.8000112.2G193 D194 C199 E200 A201 L280 L327 S330 K331 C422 F423G193-L197 VanDerWaalsContact O-CG 3.27Å; G193-L197 WeakPolarHBondContact O-CG 3.32Å; G193-L197 PolarHBondContact O-N 3.02Å; D194-L197 PolarHBondContact O-N 3.46Å; L197-C199 VanDerWaalsContact C-N 3.34Å; L197-E200 PolarHBondContact O-N 2.88Å; L197-A201 PolarHBondContact O-N 3.39Å; L197-L280 HydrophobicContact CD1-CD1 4.18Å; L197-L280 HydrophobicContact CD2-CD1 3.98Å; L197-L280 HydrophobicContact CG-CD1 4.34Å; L197-L280 HydrophobicContact CG-CD2 4.47Å; L197-L327 HydrophobicContact CB-CD1 3.48Å; L197-L327 VanDerWaalsContact CB-CD1 3.48Å; L197-L327 HydrophobicContact CD1-CD1 4.45Å; L197-S330 VanDerWaalsContact CD2-CB 3.44Å; L197-K331 HydrophobicContact CD1-CB 4.07Å; L197-C422 HydrophobicContact CD2-CB 3.49Å; L197-C422 VanDerWaalsContact CD2-CB 3.49Å; L197-C422 HydrophobicContact CG-CB 4.12Å; L197-F423 HydrophobicContact CB-CE1 4.19Å; L197-F423 HydrophobicContact CD2-CD1 3.4Å; L197-F423 HydrophobicContact CD2-CE1 3.54Å; L197-F423 HydrophobicContact CG-CE1 4.49Å
198I98.9Very high98.7Very high12 Ų1224.5 Ų24.56%0.06212%0.123CC..Hα-helixtrans-64.6-40.5175.5-68.6167.5000110.8D194 M195 Q196 E200 A201 Y202 F220 L232 I233 T236 L327D194-I198 VanDerWaalsContact O-CG1 3.28Å; D194-I198 WeakPolarHBondContact O-CG1 3.45Å; D194-I198 PolarHBondContact O-N 2.9Å; D194-I198 VanDerWaalsContact O-N 3.11Å; M195-I198 PolarHBondContact O-N 3.45Å; Q196-I198 VanDerWaalsContact C-N 3.32Å; Q196-I198 PolarHBondContact O-N 3.48Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 2.89Å; I198-A201 PolarHBondContact O-N 3.41Å; I198-Y202 WeakPolarHBondContact O-CB 3.33Å; I198-Y202 PolarHBondContact O-N 2.92Å; I198-F220 HydrophobicContact CG2-CE1 3.87Å; I198-F220 HydrophobicContact CG2-CZ 3.98Å; I198-L232 HydrophobicContact CD1-CB 3.64Å; I198-I233 HydrophobicContact CD1-CD1 3.79Å; I198-I233 HydrophobicContact CD1-CG1 4.24Å; I198-I233 HydrophobicContact CG1-CD1 3.75Å; I198-T236 HydrophobicContact CG2-CG2 3.78Å; I198-T236 WeakPolarHBondContact CG2-OG1 3.46Å; I198-L327 HydrophobicContact CG1-CD1 4.44Å
199C98.9Very high98.7Very high67 Ų6724.6 Ų24.645%0.45312%0.124SC..Hα-helixtrans-61.7-38.9174.6-70.30000112.5M195 Q196 L197 Y202 H203M195-C199 PolarHBondContact O-N 3.3Å; M195-C199 PolarHBondContact O-SG 3.18Å; Q196-C199 WeakPolarHBondContact O-CB 3.04Å; Q196-C199 PolarHBondContact O-N 3.05Å; L197-C199 VanDerWaalsContact C-N 3.34Å; C199-Y202 PolarHBondContact O-N 3.11Å; C199-H203 WeakPolarHBondContact O-CB 3.32Å; C199-H203 PolarHBondContact O-N 3.5Å
200E98.9Very high98.7Very high2 Ų227.5 Ų27.51%0.00915%0.153CC..Hα-helixtrans-66.9-42.5176.9-72.1173.4-153.900111.7Q196 L197 I198 Y202 H203 L204 M420 P421 C422 F423Q196-E200 PolarHBondContact NE2-OE1 2.93Å; Q196-E200 WeakPolarHBondContact O-CG 3.34Å; Q196-E200 PolarHBondContact O-N 3.27Å; L197-E200 PolarHBondContact O-N 2.88Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 2.89Å; E200-Y202 PolarHBondContact O-N 2.97Å; E200-H203 PolarHBondContact O-N 3.37Å; E200-L204 WeakPolarHBondContact O-CG 3.25Å; E200-L204 PolarHBondContact O-N 3.43Å; E200-M420 VanDerWaalsContact OE2-C 3.24Å; E200-M420 VanDerWaalsContact OE2-CA 3.27Å; E200-M420 WeakPolarHBondContact OE2-CA 3.15Å; E200-P421 WeakPolarHBondContact OE1-CD 3.27Å; E200-P421 WeakPolarHBondContact OE1-CG 3.37Å; E200-C422 VanDerWaalsContact OE1-CB 3.27Å; E200-C422 WeakPolarHBondContact OE1-CB 3.21Å; E200-C422 PolarHBondContact OE1-N 3.38Å; E200-C422 PolarHBondContact OE2-N 2.99Å; E200-F423 HydrophobicContact CB-CD2 4.31Å; E200-F423 HydrophobicContact CB-CE1 4.39Å; E200-F423 HydrophobicContact CB-CE2 4.09Å; E200-F423 HydrophobicContact CB-CZ 4.13Å; E200-F423 WeakPolarHBondContact OE2-CG 3.48Å; E200-F423 PolarHBondContact OE2-N 2.95Å
201A98.9Very high98.7Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-59.3-46.5172.700000112L197 I198 H203 L204 M205 F220 W223 I323 L327 F423L197-A201 PolarHBondContact O-N 3.39Å; I198-A201 PolarHBondContact O-N 3.41Å; A201-H203 VanDerWaalsContact C-N 3.34Å; A201-H203 PolarHBondContact O-N 2.91Å; A201-L204 PolarHBondContact O-N 3.17Å; A201-M205 WeakPolarHBondContact O-CG 3.5Å; A201-M205 PolarHBondContact O-N 2.91Å; A201-F220 HydrophobicContact CB-CZ 4.31Å; A201-W223 HydrophobicContact CB-CH2 4.18Å; A201-W223 HydrophobicContact CB-CZ3 3.97Å; A201-I323 HydrophobicContact CB-CG2 3.62Å; A201-L327 HydrophobicContact CB-CD2 4.27Å; A201-F423 HydrophobicContact CB-CZ 4.28Å
202Y98.9Very high98.7Very high51 Ų5129.3 Ų29.320%0.217%0.172CC..Hα-helixtrans-57.8-43.5173.9159.2-103.4000112.3I198 C199 E200 L204 M205 K206 M216 L240 L251I198-Y202 WeakPolarHBondContact O-CB 3.33Å; I198-Y202 PolarHBondContact O-N 2.92Å; C199-Y202 PolarHBondContact O-N 3.11Å; E200-Y202 PolarHBondContact O-N 2.97Å; Y202-L204 PolarHBondContact O-N 2.98Å; Y202-M205 PolarHBondContact O-N 2.71Å; Y202-K206 HydrophobicContact CE1-CD 4.39Å; Y202-K206 HydrophobicContact CE2-CD 4.32Å; Y202-K206 WeakPolarHBondContact O-CB 3.48Å; Y202-K206 PolarHBondContact O-N 2.97Å; Y202-M216 HydrophobicContact CD2-CE 4.03Å; Y202-M216 HydrophobicContact CD2-SD 3.59Å; Y202-M216 VanDerWaalsContact CD2-SD 3.59Å; Y202-M216 HydrophobicContact CE2-CE 3.59Å; Y202-M216 HydrophobicContact CE2-SD 3.78Å; Y202-L240 HydrophobicContact CD2-CD2 3.89Å; Y202-L240 HydrophobicContact CE2-CD2 3.77Å; Y202-L251 HydrophobicContact CE2-CD2 4.38Å
203H98.9Very high98.7Very high53 Ų5330 Ų3025%0.24518%0.175CC..Hα-helixtrans-65.1-40.6-178.3-157.5174.8000111.8C199 E200 A201 K206 D207 I418C199-H203 WeakPolarHBondContact O-CB 3.32Å; C199-H203 PolarHBondContact O-N 3.5Å; E200-H203 PolarHBondContact O-N 3.37Å; A201-H203 VanDerWaalsContact C-N 3.34Å; A201-H203 PolarHBondContact O-N 2.91Å; H203-K206 PolarHBondContact O-N 2.83Å; H203-D207 IonicContact CD2-OD2 3.2Å; H203-D207 PolarHBondContact CD2-OD2 3.37Å; H203-D207 IonicContact NE2-OD2 3.47Å; H203-D207 PolarHBondContact NE2-OD2 3.34Å; H203-D207 VanDerWaalsContact NE2-OD2 3.07Å; H203-D207 PolarHBondContact O-N 3.37Å; H203-I418 HydrophobicContact CB-CG2 4.08Å
204L98.9Very high98.7Very high0 Ų033.8 Ų33.80%020%0.195CC..Hα-helixtrans-64.2-45.8174.1-70.2170.1000111.8E200 A201 Y202 K206 V208 L209 I323 I418 M420 F423E200-L204 WeakPolarHBondContact O-CG 3.25Å; E200-L204 PolarHBondContact O-N 3.43Å; A201-L204 PolarHBondContact O-N 3.17Å; Y202-L204 PolarHBondContact O-N 2.98Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.31Å; L204-V208 HydrophobicContact CD2-CG2 3.8Å; L204-V208 WeakPolarHBondContact O-CA 3.21Å; L204-V208 WeakPolarHBondContact O-CB 3.31Å; L204-V208 PolarHBondContact O-N 3.45Å; L204-L209 PolarHBondContact O-N 3.08Å; L204-I323 HydrophobicContact CB-CD1 3.75Å; L204-I323 HydrophobicContact CB-CG1 4.18Å; L204-I323 HydrophobicContact CD1-CG1 4.13Å; L204-I323 HydrophobicContact CD1-CG2 4.27Å; L204-I418 HydrophobicContact CD2-CB 4.08Å; L204-I418 HydrophobicContact CD2-CG1 4.3Å; L204-I418 HydrophobicContact CD2-CG2 3.94Å; L204-I418 HydrophobicContact CG-CG2 4.36Å; L204-M420 HydrophobicContact CD1-SD 3.83Å; L204-M420 HydrophobicContact CD2-SD 3.84Å; L204-M420 HydrophobicContact CG-SD 4.18Å; L204-F423 HydrophobicContact CD1-CD2 4.2Å; L204-F423 HydrophobicContact CD1-CE2 3.81Å
205M98.9Very high98.7Very high0 Ų038.1 Ų38.10%022%0.215CC..Hα-helixtrans-58.3-43.7175.3-70.4-177.2-158.900112.2A201 Y202 L209 G210 M211 M216 A219 F220 W223 L320 I323A201-M205 WeakPolarHBondContact O-CG 3.5Å; A201-M205 PolarHBondContact O-N 2.91Å; Y202-M205 PolarHBondContact O-N 2.71Å; M205-L209 CarbonylContact O-C 3.58Å; M205-L209 WeakPolarHBondContact O-CB 3.27Å; M205-L209 PolarHBondContact O-N 3.49Å; M205-G210 PolarHBondContact O-N 3.11Å; M205-M211 HydrophobicContact CB-CB 4.42Å; M205-M211 HydrophobicContact CB-CG 4.47Å; M205-M211 HydrophobicContact CB-SD 3.69Å; M205-M211 HydrophobicContact CG-SD 3.79Å; M205-M211 WeakPolarHBondContact O-CB 3.4Å; M205-M211 PolarHBondContact O-N 3.34Å; M205-M211 VanDerWaalsContact O-N 3.08Å; M205-M211 HydrophobicContact SD-CE 4.29Å; M205-M211 HydrophobicContact SD-SD 4.18Å; M205-M216 HydrophobicContact CB-CG 3.89Å; M205-M216 HydrophobicContact CB-SD 3.74Å; M205-M216 HydrophobicContact SD-CB 4.17Å; M205-M216 HydrophobicContact SD-CG 3.93Å; M205-A219 HydrophobicContact CE-CB 4.29Å; M205-A219 HydrophobicContact SD-CB 4.25Å; M205-F220 HydrophobicContact CE-CD2 4.43Å; M205-F220 HydrophobicContact CE-CE2 3.96Å; M205-F220 HydrophobicContact CE-CZ 4.05Å; M205-F220 HydrophobicContact SD-CE2 4.1Å; M205-W223 HydrophobicContact CE-CE3 4.14Å; M205-W223 HydrophobicContact CE-CH2 2.9Å; M205-W223 HydrophobicContact CE-CZ2 3.32Å; M205-W223 HydrophobicContact CE-CZ3 3.36Å; M205-L320 HydrophobicContact CE-CD1 3.65Å; M205-L320 HydrophobicContact CG-CD1 3.83Å; M205-L320 HydrophobicContact SD-CD1 3.94Å; M205-I323 HydrophobicContact CG-CD1 4.22Å
206K98.6Very high98.7Very high64 Ų6434.6 Ų34.628%0.27820%0.198SC..Hα-helixtrans-68.6-52.2-177.2-172.8-17963.471.30111.9Y202 H203 L204 G210 M216Y202-K206 HydrophobicContact CE1-CD 4.39Å; Y202-K206 HydrophobicContact CE2-CD 4.32Å; Y202-K206 WeakPolarHBondContact O-CB 3.48Å; Y202-K206 PolarHBondContact O-N 2.97Å; H203-K206 PolarHBondContact O-N 2.83Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.31Å; K206-G210 WeakPolarHBondContact O-CA 3.36Å; K206-G210 PolarHBondContact O-N 2.93Å; K206-M216 HydrophobicContact CB-CE 4.38Å; K206-M216 HydrophobicContact CB-SD 4.04Å
207D98.2Very high98.7Very high83 Ų8333 Ų3344%0.44419%0.191SC..Hα-helixtrans-101.4-21.1-166.6-71.2-13.9000114.6H203 I418H203-D207 IonicContact CD2-OD2 3.2Å; H203-D207 PolarHBondContact CD2-OD2 3.37Å; H203-D207 IonicContact NE2-OD2 3.47Å; H203-D207 PolarHBondContact NE2-OD2 3.34Å; H203-D207 VanDerWaalsContact NE2-OD2 3.07Å; H203-D207 PolarHBondContact O-N 3.37Å; D207-I418 HydrophobicContact CB-CD1 3.64Å
208V98.3Very high98.6Very high11 Ų1137 Ų377%0.06721%0.21CC..THydrogen-bonded Turntrans-91.2-46.9171.6-176.60000110.6L204 F310 F312 F319 T412 A416 I418L204-V208 HydrophobicContact CD2-CG2 3.8Å; L204-V208 WeakPolarHBondContact O-CA 3.21Å; L204-V208 WeakPolarHBondContact O-CB 3.31Å; L204-V208 PolarHBondContact O-N 3.45Å; V208-F310 HydrophobicContact CG1-CE1 4.14Å; V208-F312 HydrophobicContact CG1-CB 3.96Å; V208-F312 HydrophobicContact CG1-CD2 3.91Å; V208-F312 HydrophobicContact CG1-CG 4.02Å; V208-F312 WeakPolarHBondContact O-CB 3.33Å; V208-F319 HydrophobicContact CB-CE1 4.18Å; V208-F319 HydrophobicContact CG1-CD1 4.27Å; V208-F319 HydrophobicContact CG1-CE1 3.68Å; V208-F319 HydrophobicContact CG1-CZ 4.33Å; V208-T412 HydrophobicContact CG1-CG2 3.89Å; V208-A416 HydrophobicContact CG2-CB 3.98Å; V208-I418 HydrophobicContact CG2-CG1 3.89Å
209L98.1Very high98.6Very high17 Ų1736.8 Ų36.89%0.08921%0.21CC..SBendtrans-93.3-7.5-176.4-62.4179.6000114.4L204 M205 M211 F312 K316 F319 L320 I323L204-L209 PolarHBondContact O-N 3.08Å; M205-L209 CarbonylContact O-C 3.58Å; M205-L209 WeakPolarHBondContact O-CB 3.27Å; M205-L209 PolarHBondContact O-N 3.49Å; L209-M211 HydrophobicContact CB-CG 3.83Å; L209-M211 HydrophobicContact CB-SD 4.08Å; L209-M211 HydrophobicContact CD1-SD 3.85Å; L209-M211 PolarHBondContact O-N 2.94Å; L209-F312 HydrophobicContact CD2-CD1 3.68Å; L209-F312 HydrophobicContact CD2-CE1 3.59Å; L209-F312 HydrophobicContact CD2-CG 4.34Å; L209-F312 HydrophobicContact CD2-CZ 4.2Å; L209-K316 HydrophobicContact CB-CD 4.49Å; L209-K316 HydrophobicContact CB-CG 4.33Å; L209-K316 HydrophobicContact CD1-CG 4.14Å; L209-K316 HydrophobicContact CD2-CB 4.26Å; L209-K316 HydrophobicContact CD2-CG 3.97Å; L209-K316 HydrophobicContact CG-CG 4.37Å; L209-F319 HydrophobicContact CD1-CD1 4.1Å; L209-F319 HydrophobicContact CD2-CB 4.25Å; L209-F319 HydrophobicContact CD2-CD1 3.68Å; L209-F319 HydrophobicContact CD2-CG 4.4Å; L209-F319 HydrophobicContact CG-CD1 3.9Å; L209-L320 HydrophobicContact CD1-CB 4.23Å; L209-L320 HydrophobicContact CD1-CD1 4.36Å; L209-I323 HydrophobicContact CD1-CD1 4.04Å
210G97.6Very high98.6Very high61 Ų6133.6 Ų33.663%0.62919%0.188SC*.  trans60.829.5-179.800000113.5M205 K206M205-G210 PolarHBondContact O-N 3.11Å; K206-G210 WeakPolarHBondContact O-CA 3.36Å; K206-G210 PolarHBondContact O-N 2.93Å
211M98.6Very high98.6Very high15 Ų1536.4 Ų36.47%0.07420%0.201CC..  trans-70.7140-174.1-71.817670.700112.2M205 L209 E215 M216 A219 L320M205-M211 HydrophobicContact CB-CB 4.42Å; M205-M211 HydrophobicContact CB-CG 4.47Å; M205-M211 HydrophobicContact CB-SD 3.69Å; M205-M211 HydrophobicContact CG-SD 3.79Å; M205-M211 WeakPolarHBondContact O-CB 3.4Å; M205-M211 PolarHBondContact O-N 3.34Å; M205-M211 VanDerWaalsContact O-N 3.08Å; M205-M211 HydrophobicContact SD-CE 4.29Å; M205-M211 HydrophobicContact SD-SD 4.18Å; L209-M211 HydrophobicContact CB-CG 3.83Å; L209-M211 HydrophobicContact CB-SD 4.08Å; L209-M211 HydrophobicContact CD1-SD 3.85Å; L209-M211 PolarHBondContact O-N 2.94Å; M211-E215 HydrophobicContact CB-CB 4.41Å; M211-E215 HydrophobicContact CE-CB 3.96Å; M211-M216 HydrophobicContact CB-CG 3.52Å; M211-M216 HydrophobicContact CB-SD 4.23Å; M211-M216 HydrophobicContact CE-CG 4.17Å; M211-M216 HydrophobicContact SD-CG 4.43Å; M211-A219 HydrophobicContact CE-CB 4.08Å; M211-L320 HydrophobicContact CE-CD1 4.33Å; M211-L320 HydrophobicContact CE-CD2 4.38Å; M211-L320 HydrophobicContact SD-CD1 4.08Å
212A98.5Very high98.6Very high55 Ų5539.7 Ų39.746%0.45522%0.219SC..  trans-71.9159.4170.300000111.4D214 E215 M216A212-D214 VanDerWaalsContact C-N 3.33Å; A212-D214 PolarHBondContact O-N 2.65Å; A212-E215 HydrophobicContact CB-CG 4.2Å; A212-E215 WeakPolarHBondContact O-CB 3.17Å; A212-E215 PolarHBondContact O-N 3.01Å; A212-E215 VanDerWaalsContact O-N 3.14Å; A212-M216 WeakPolarHBondContact O-CG 3.3Å; A212-M216 PolarHBondContact O-N 2.85Å
213Q98.4Very high98.6Very high25 Ų2537.8 Ų37.812%0.11721%0.211CC..Hα-helixtrans-53.7-46.6-179.3-70.2-65.2118.300112.9M216 A217 H249 P252Q213-M216 PolarHBondContact O-N 2.69Å; Q213-M216 VanDerWaalsContact OE1-CE 3.22Å; Q213-A217 PolarHBondContact O-N 3.48Å; Q213-H249 HydrophobicContact CG-CB 4.15Å; Q213-P252 HydrophobicContact CG-CG 4.41Å
214D98.6Very high98.6Very high79 Ų7936.7 Ų36.742%0.42221%0.207SC..Hα-helixtrans-72.1-31.4-179.2-62.4-36.7000112.4A212 A217 Q218 H249A212-D214 VanDerWaalsContact C-N 3.33Å; A212-D214 PolarHBondContact O-N 2.65Å; D214-A217 WeakPolarHBondContact O-CB 3.43Å; D214-A217 PolarHBondContact O-N 3.48Å; D214-Q218 PolarHBondContact O-N 3.05Å; D214-H249 IonicContact OD1-CD2 3.37Å; D214-H249 IonicContact OD1-CE1 2.78Å; D214-H249 IonicContact OD1-NE2 2.69Å; D214-H249 PolarHBondContact OD1-NE2 3.38Å; D214-H249 IonicContact OD2-CE1 3.35Å; D214-H249 PolarHBondContact OD2-CE1 3.18Å; D214-H249 IonicContact OD2-NE2 3.24Å; D214-H249 PolarHBondContact OD2-NE2 3.32Å
215E98.8Very high98.6Very high95 Ų9543.8 Ų43.844%0.44424%0.238SC..Hα-helixtrans-65.3-43.1172.1-67.2-174.3170.100111.2M211 A212 A217 Q218 A219 K316M211-E215 HydrophobicContact CB-CB 4.41Å; M211-E215 HydrophobicContact CE-CB 3.96Å; A212-E215 HydrophobicContact CB-CG 4.2Å; A212-E215 WeakPolarHBondContact O-CB 3.17Å; A212-E215 PolarHBondContact O-N 3.01Å; A212-E215 VanDerWaalsContact O-N 3.14Å; E215-A217 VanDerWaalsContact C-N 3.35Å; E215-Q218 PolarHBondContact O-N 2.87Å; E215-A219 PolarHBondContact O-N 3.32Å; E215-K316 IonicContact OE2-NZ 3.55Å; E215-K316 PolarHBondContact OE2-NZ 2.88Å
216M98.9Very high98.6Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-65.1-40.9175.2-66.7-173.3-75.200110.9Y202 M205 K206 M211 A212 Q213 Q218 A219 F220 L240Y202-M216 HydrophobicContact CD2-CE 4.03Å; Y202-M216 HydrophobicContact CD2-SD 3.59Å; Y202-M216 VanDerWaalsContact CD2-SD 3.59Å; Y202-M216 HydrophobicContact CE2-CE 3.59Å; Y202-M216 HydrophobicContact CE2-SD 3.78Å; M205-M216 HydrophobicContact CB-CG 3.89Å; M205-M216 HydrophobicContact CB-SD 3.74Å; M205-M216 HydrophobicContact SD-CB 4.17Å; M205-M216 HydrophobicContact SD-CG 3.93Å; K206-M216 HydrophobicContact CB-CE 4.38Å; K206-M216 HydrophobicContact CB-SD 4.04Å; M211-M216 HydrophobicContact CB-CG 3.52Å; M211-M216 HydrophobicContact CB-SD 4.23Å; M211-M216 HydrophobicContact CE-CG 4.17Å; M211-M216 HydrophobicContact SD-CG 4.43Å; A212-M216 WeakPolarHBondContact O-CG 3.3Å; A212-M216 PolarHBondContact O-N 2.85Å; Q213-M216 PolarHBondContact O-N 2.69Å; Q213-M216 VanDerWaalsContact OE1-CE 3.22Å; M216-Q218 VanDerWaalsContact C-N 3.31Å; M216-Q218 PolarHBondContact O-N 2.96Å; M216-A219 PolarHBondContact O-N 2.93Å; M216-F220 VanDerWaalsContact O-CD2 3.28Å; M216-F220 WeakPolarHBondContact O-CD2 3.27Å; M216-F220 PolarHBondContact O-N 3.15Å; M216-L240 HydrophobicContact CB-CD1 3.97Å; M216-L240 HydrophobicContact CE-CD2 4.48Å
217A98.8Very high98.5Very high2 Ų247.4 Ų47.42%0.01726%0.259CS..Hα-helixtrans-57.7-45.7174.600000111.1Q213 D214 E215 F220 Q221 L240 K241Q213-A217 PolarHBondContact O-N 3.48Å; D214-A217 WeakPolarHBondContact O-CB 3.43Å; D214-A217 PolarHBondContact O-N 3.48Å; E215-A217 VanDerWaalsContact C-N 3.35Å; A217-F220 PolarHBondContact O-N 3.25Å; A217-Q221 WeakPolarHBondContact O-CG 3.29Å; A217-Q221 PolarHBondContact O-N 3.03Å; A217-L240 HydrophobicContact CB-CB 3.72Å; A217-K241 HydrophobicContact CB-CB 3.98Å
218Q98.8Very high98.6Very high86 Ų8643.7 Ų43.740%0.40224%0.239SC..Hα-helixtrans-62.6-43.5176.8-17258.355.600111.9D214 E215 M216 F220 Q221 D222D214-Q218 PolarHBondContact O-N 3.05Å; E215-Q218 PolarHBondContact O-N 2.87Å; M216-Q218 VanDerWaalsContact C-N 3.31Å; M216-Q218 PolarHBondContact O-N 2.96Å; Q218-F220 PolarHBondContact O-N 3.43Å; Q218-Q221 WeakPolarHBondContact O-CB 3.49Å; Q218-Q221 PolarHBondContact O-N 3.34Å; Q218-Q221 VanDerWaalsContact O-N 3.14Å; Q218-D222 PolarHBondContact NE2-OD1 2.83Å; Q218-D222 VanDerWaalsContact NE2-OD1 3.16Å; Q218-D222 PolarHBondContact NE2-OD2 2.96Å; Q218-D222 PolarHBondContact O-N 3.26Å
219A98.8Very high98.5Very high7 Ų746.2 Ų46.26%0.05825%0.252CS..Hα-helixtrans-58.6-45.8176.400000112.2M205 M211 E215 M216 Q221 D222 W223 L320M205-A219 HydrophobicContact CE-CB 4.29Å; M205-A219 HydrophobicContact SD-CB 4.25Å; M211-A219 HydrophobicContact CE-CB 4.08Å; E215-A219 PolarHBondContact O-N 3.32Å; M216-A219 PolarHBondContact O-N 2.93Å; A219-Q221 PolarHBondContact O-N 3.26Å; A219-D222 PolarHBondContact O-N 3.34Å; A219-W223 PolarHBondContact O-N 2.92Å; A219-L320 HydrophobicContact CB-CD1 4.17Å; A219-L320 HydrophobicContact CB-CD2 3.97Å
220F98.9Very high98.5Very high0 Ų045.6 Ų45.60%025%0.249CC..Hα-helixtrans-65.8-35.5175.2-80-71.6000112.6I198 A201 M205 M216 A217 Q218 D222 W223 N224 I233 T236 A237 L240I198-F220 HydrophobicContact CG2-CE1 3.87Å; I198-F220 HydrophobicContact CG2-CZ 3.98Å; A201-F220 HydrophobicContact CB-CZ 4.31Å; M205-F220 HydrophobicContact CE-CD2 4.43Å; M205-F220 HydrophobicContact CE-CE2 3.96Å; M205-F220 HydrophobicContact CE-CZ 4.05Å; M205-F220 HydrophobicContact SD-CE2 4.1Å; M216-F220 VanDerWaalsContact O-CD2 3.28Å; M216-F220 WeakPolarHBondContact O-CD2 3.27Å; M216-F220 PolarHBondContact O-N 3.15Å; A217-F220 PolarHBondContact O-N 3.25Å; Q218-F220 PolarHBondContact O-N 3.43Å; F220-D222 VanDerWaalsContact C-N 3.31Å; F220-D222 PolarHBondContact O-N 2.94Å; F220-W223 AromaticContact CD1-CE3 3.67Å; F220-W223 HydrophobicContact CD1-CE3 3.67Å; F220-W223 HydrophobicContact CD1-CZ3 4.07Å; F220-W223 AromaticContact CE1-CE3 3.7Å; F220-W223 HydrophobicContact CE1-CE3 3.7Å; F220-W223 AromaticContact CE1-CZ3 3.64Å; F220-W223 HydrophobicContact CE1-CZ3 3.64Å; F220-W223 HydrophobicContact CG-CE3 4.49Å; F220-W223 HydrophobicContact CZ-CZ3 4.13Å; F220-W223 PolarHBondContact O-N 3.19Å; F220-N224 PolarHBondContact O-N 3.38Å; F220-I233 HydrophobicContact CB-CG2 4.4Å; F220-I233 HydrophobicContact CD1-CD1 3.78Å; F220-I233 HydrophobicContact CD1-CG2 4.17Å; F220-I233 HydrophobicContact CE1-CD1 3.9Å; F220-I233 VanDerWaalsContact O-CG2 3.26Å; F220-I233 WeakPolarHBondContact O-CG2 3.41Å; F220-T236 HydrophobicContact CD1-CG2 4.1Å; F220-T236 HydrophobicContact CD2-CG2 3.77Å; F220-T236 HydrophobicContact CE1-CG2 4.14Å; F220-T236 HydrophobicContact CE2-CG2 3.82Å; F220-T236 HydrophobicContact CG-CG2 3.92Å; F220-T236 HydrophobicContact CZ-CG2 4Å; F220-A237 HydrophobicContact CB-CB 3.97Å; F220-L240 HydrophobicContact CD2-CD1 3.42Å; F220-L240 VanDerWaalsContact CD2-CD1 3.42Å; F220-L240 HydrophobicContact CE2-CD1 3.78Å; F220-L240 HydrophobicContact CG-CD1 4.46Å
221Q98.8Very high98.5Very high60 Ų6044.6 Ų44.628%0.2823%0.228SC..Hα-helixtrans-62.2-39.2172.4-71.117622.100112.1A217 Q218 A219 N224 A237A217-Q221 WeakPolarHBondContact O-CG 3.29Å; A217-Q221 PolarHBondContact O-N 3.03Å; Q218-Q221 WeakPolarHBondContact O-CB 3.49Å; Q218-Q221 PolarHBondContact O-N 3.34Å; Q218-Q221 VanDerWaalsContact O-N 3.14Å; A219-Q221 PolarHBondContact O-N 3.26Å; Q221-N224 PolarHBondContact O-N 3.41Å; Q221-A237 HydrophobicContact CG-CB 3.62Å
222D98.8Very high98.4Very high69 Ų6944.4 Ų44.437%0.36923%0.227SC..Hα-helixtrans-72.3-38.4178.5-67-28000111.3Q218 A219 F220 N224 K225Q218-D222 PolarHBondContact NE2-OD1 2.83Å; Q218-D222 VanDerWaalsContact NE2-OD1 3.16Å; Q218-D222 PolarHBondContact NE2-OD2 2.96Å; Q218-D222 PolarHBondContact O-N 3.26Å; A219-D222 PolarHBondContact O-N 3.34Å; F220-D222 VanDerWaalsContact C-N 3.31Å; F220-D222 PolarHBondContact O-N 2.94Å; D222-N224 VanDerWaalsContact C-N 3.25Å; D222-N224 PolarHBondContact O-N 3.47Å; D222-K225 WeakPolarHBondContact O-CB 3.35Å; D222-K225 PolarHBondContact O-N 3.09Å; D222-K225 VanDerWaalsContact O-N 3.07Å; D222-K225 IonicContact OD1-NZ 2.79Å; D222-K225 PolarHBondContact OD1-NZ 2.59Å
223W98.8Very high98.4Very high12 Ų1242 Ų425%0.04521%0.206CC..Hα-helixtrans-62.7-33.3172.4-65.8-0.8000112.5A201 M205 A219 F220 K225 T226 L228 I233 L320 I323 R324 L327A201-W223 HydrophobicContact CB-CH2 4.18Å; A201-W223 HydrophobicContact CB-CZ3 3.97Å; M205-W223 HydrophobicContact CE-CE3 4.14Å; M205-W223 HydrophobicContact CE-CH2 2.9Å; M205-W223 HydrophobicContact CE-CZ2 3.32Å; M205-W223 HydrophobicContact CE-CZ3 3.36Å; A219-W223 PolarHBondContact O-N 2.92Å; F220-W223 AromaticContact CD1-CE3 3.67Å; F220-W223 HydrophobicContact CD1-CE3 3.67Å; F220-W223 HydrophobicContact CD1-CZ3 4.07Å; F220-W223 AromaticContact CE1-CE3 3.7Å; F220-W223 HydrophobicContact CE1-CE3 3.7Å; F220-W223 AromaticContact CE1-CZ3 3.64Å; F220-W223 HydrophobicContact CE1-CZ3 3.64Å; F220-W223 HydrophobicContact CG-CE3 4.49Å; F220-W223 HydrophobicContact CZ-CZ3 4.13Å; F220-W223 PolarHBondContact O-N 3.19Å; W223-K225 PolarHBondContact O-N 2.98Å; W223-K225 VanDerWaalsContact O-N 3.09Å; W223-T226 PolarHBondContact O-N 2.99Å; W223-T226 PolarHBondContact O-OG1 3.36Å; W223-L228 HydrophobicContact CB-CD1 4.23Å; W223-L228 HydrophobicContact CD2-CD1 4.41Å; W223-L228 HydrophobicContact CE3-CD1 4.19Å; W223-L228 HydrophobicContact CG-CD1 4.47Å; W223-I233 HydrophobicContact CB-CG2 4.48Å; W223-L320 HydrophobicContact CZ2-CD1 3.76Å; W223-L320 HydrophobicContact CZ2-CG 4.19Å; W223-L320 WeakPolarHBondContact CZ2-O 3.27Å; W223-I323 HydrophobicContact CH2-CB 4.17Å; W223-I323 HydrophobicContact CH2-CG2 3.75Å; W223-I323 HydrophobicContact CZ2-CB 4.48Å; W223-R324 VanDerWaalsContact CD1-CD 3.47Å; W223-R324 HydrophobicContact CD2-CB 4.14Å; W223-R324 HydrophobicContact CD2-CG 3.76Å; W223-R324 HydrophobicContact CE3-CG 4.44Å; W223-R324 HydrophobicContact CG-CG 3.79Å; W223-R324 HydrophobicContact CH2-CB 4.23Å; W223-R324 HydrophobicContact CZ2-CB 3.6Å; W223-R324 HydrophobicContact CZ2-CG 4.19Å; W223-L327 HydrophobicContact CE3-CD2 4.02Å; W223-L327 HydrophobicContact CZ3-CD2 3.72Å
224N98.5Very high98.4Very high29 Ų2945.1 Ų45.116%0.15522%0.221CC..THydrogen-bonded Turntrans-67.9-5.3175.8-146.852.4000114F220 Q221 D222 D229 S230 I233F220-N224 PolarHBondContact O-N 3.38Å; Q221-N224 PolarHBondContact O-N 3.41Å; D222-N224 VanDerWaalsContact C-N 3.25Å; D222-N224 PolarHBondContact O-N 3.47Å; N224-D229 WeakPolarHBondContact O-CB 3.5Å; N224-S230 PolarHBondContact OD1-N 3.31Å; N224-S230 PolarHBondContact OD1-O 3.39Å; N224-I233 HydrophobicContact CB-CG2 3.76Å; N224-I233 WeakPolarHBondContact OD1-CB 3.23Å; N224-I233 WeakPolarHBondContact OD1-CG2 3.16Å
225K98.4Very high98.4Very high150 Ų15043.6 Ų43.665%0.65221%0.213SC*.THydrogen-bonded Turntrans-100.37.2172.9-57.1166.5-168.8157.30112.4D222 W223D222-K225 WeakPolarHBondContact O-CB 3.35Å; D222-K225 PolarHBondContact O-N 3.09Å; D222-K225 VanDerWaalsContact O-N 3.07Å; D222-K225 IonicContact OD1-NZ 2.79Å; D222-K225 PolarHBondContact OD1-NZ 2.59Å; W223-K225 PolarHBondContact O-N 2.98Å; W223-K225 VanDerWaalsContact O-N 3.09Å
226T98.5Very high98.4Very high51 Ų5140.4 Ų40.431%0.31320%0.199SC..THydrogen-bonded Turntrans-116.3-159.7-178.1710000110.8W223 L228 D229 R324W223-T226 PolarHBondContact O-N 2.99Å; W223-T226 PolarHBondContact O-OG1 3.36Å; T226-L228 PolarHBondContact O-N 3.03Å; T226-L228 VanDerWaalsContact O-N 3.09Å; T226-D229 WeakPolarHBondContact O-CB 3.36Å; T226-D229 PolarHBondContact O-N 2.97Å; T226-D229 VanDerWaalsContact O-N 3.11Å; T226-R324 PolarHBondContact OG1-NH1 2.97Å
227E98.2Very high98.4Very high89 Ų8940.5 Ų40.542%0.41620%0.2SC..THydrogen-bonded Turntrans-62.7-14.1175.6-52.585.1172.900113.6D229 R324 Y328E227-D229 VanDerWaalsContact C-N 3.34Å; E227-R324 IonicContact OE2-CZ 2.67Å; E227-R324 IonicContact OE2-NH1 3.53Å; E227-R324 PolarHBondContact OE2-NH1 3.49Å; E227-R324 IonicContact OE2-NH2 3.71Å; E227-Y328 HydrophobicContact CB-CD2 4.29Å; E227-Y328 HydrophobicContact CB-CE1 4.15Å; E227-Y328 HydrophobicContact CB-CE2 3.75Å; E227-Y328 HydrophobicContact CG-CE1 4.4Å
228L98.5Very high98.4Very high4 Ų443.5 Ų43.52%0.02122%0.216CC..THydrogen-bonded Turntrans-85.93.3175.9-71.1174.6000114.3W223 T226 S230 I233 R324 L327 Y328W223-L228 HydrophobicContact CB-CD1 4.23Å; W223-L228 HydrophobicContact CD2-CD1 4.41Å; W223-L228 HydrophobicContact CE3-CD1 4.19Å; W223-L228 HydrophobicContact CG-CD1 4.47Å; T226-L228 PolarHBondContact O-N 3.03Å; T226-L228 VanDerWaalsContact O-N 3.09Å; L228-S230 WeakPolarHBondContact O-CB 3.36Å; L228-S230 PolarHBondContact O-N 2.84Å; L228-S230 PolarHBondContact O-OG 3.02Å; L228-I233 HydrophobicContact CB-CG1 4.49Å; L228-R324 HydrophobicContact CD1-CG 3.57Å; L228-L327 HydrophobicContact CD1-CD2 3.76Å; L228-L327 HydrophobicContact CD1-CG 4.15Å; L228-L327 HydrophobicContact CD2-CD2 4.32Å; L228-L327 HydrophobicContact CD2-CG 4.08Å; L228-Y328 HydrophobicContact CD2-CD2 3.94Å; L228-Y328 HydrophobicContact CD2-CG 4.49Å; L228-Y328 HydrophobicContact CG-CD2 4.49Å
229D98.1Very high98.4Very high64 Ų6443.1 Ų43.134%0.34222%0.216SC..  trans-49.2107.3174.5-175.9-9.8000111.2N224 T226 E227 S370 V371N224-D229 WeakPolarHBondContact O-CB 3.5Å; T226-D229 WeakPolarHBondContact O-CB 3.36Å; T226-D229 PolarHBondContact O-N 2.97Å; T226-D229 VanDerWaalsContact O-N 3.11Å; E227-D229 VanDerWaalsContact C-N 3.34Å; D229-S370 WeakPolarHBondContact O-CA 3.35Å; D229-S370 WeakPolarHBondContact O-CB 3.49Å; D229-V371 HydrophobicContact CB-CB 4.36Å; D229-V371 HydrophobicContact CB-CG2 3.87Å; D229-V371 PolarHBondContact O-N 3.43Å; D229-V371 VanDerWaalsContact O-N 3.1Å
230S97.6Very high98.4Very high4 Ų442.9 Ų42.93%0.02821%0.214CC..BIsolated β-bridgetrans-162.1153.1-174.860.10000112N224 L228 L232 I233 E234N224-S230 PolarHBondContact OD1-N 3.31Å; N224-S230 PolarHBondContact OD1-O 3.39Å; L228-S230 WeakPolarHBondContact O-CB 3.36Å; L228-S230 PolarHBondContact O-N 2.84Å; L228-S230 PolarHBondContact O-OG 3.02Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 2.96Å; S230-I233 PolarHBondContact O-N 3.38Å; S230-I233 WeakPolarHBondContact OG-CG1 3.28Å; S230-E234 PolarHBondContact O-N 3.11Å
231F96.4Very high98.3Very high40 Ų4047.2 Ų47.218%0.17523%0.233CC..Hα-helixtrans-59.1-39.3179174.9-120.1000113.2I233 E234 I235 I367 R369F231-I233 PolarHBondContact O-N 2.65Å; F231-E234 WeakPolarHBondContact O-CB 3.37Å; F231-E234 PolarHBondContact O-N 3.19Å; F231-I235 HydrophobicContact CD1-CD1 4.47Å; F231-I235 HydrophobicContact CD2-CG2 3.72Å; F231-I235 HydrophobicContact CE1-CD1 4.06Å; F231-I235 HydrophobicContact CE1-CG2 4.18Å; F231-I235 HydrophobicContact CE2-CG2 3.24Å; F231-I235 HydrophobicContact CG-CG2 4.42Å; F231-I235 HydrophobicContact CZ-CD1 4.32Å; F231-I235 HydrophobicContact CZ-CG2 3.51Å; F231-I235 WeakPolarHBondContact O-CG1 3.47Å; F231-I235 PolarHBondContact O-N 2.9Å; F231-I367 HydrophobicContact CD1-CG2 4.48Å; F231-I367 HydrophobicContact CE1-CD1 4.15Å; F231-R369 HydrophobicContact CB-CG 3.66Å; F231-R369 VanDerWaalsContact CD2-CZ 3.41Å; F231-R369 PolarHBondContact N-O 3.46Å; F231-R369 VanDerWaalsContact N-O 3.14Å
232L97.9Very high98.3Very high12 Ų1249.9 Ų49.96%0.06324%0.244CC..Hα-helixtrans-64.9-38.7-179.7-74.4175.7000112.1D194 M195 I198 S230 I235 T236 I367D194-L232 HydrophobicContact CB-CD1 3.68Å; M195-L232 HydrophobicContact CG-CD1 4.17Å; M195-L232 HydrophobicContact CG-CD2 4.24Å; I198-L232 HydrophobicContact CD1-CB 3.64Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 2.96Å; L232-I235 HydrophobicContact CD2-CD1 3.93Å; L232-I235 WeakPolarHBondContact O-CG1 3.49Å; L232-T236 WeakPolarHBondContact O-CB 3.27Å; L232-T236 PolarHBondContact O-N 3.43Å; L232-T236 PolarHBondContact O-OG1 3.03Å; L232-I367 HydrophobicContact CD2-CG2 3.79Å; L232-I367 HydrophobicContact CG-CG2 4.23Å
233I98.8Very high98.3Very high3 Ų351.6 Ų51.62%0.01525%0.249CC..Hα-helixtrans-67.7-42.6175.7-65.7-70.3000110.7I198 F220 W223 N224 L228 S230 F231 T236 A237 L327I198-I233 HydrophobicContact CD1-CD1 3.79Å; I198-I233 HydrophobicContact CD1-CG1 4.24Å; I198-I233 HydrophobicContact CG1-CD1 3.75Å; F220-I233 HydrophobicContact CB-CG2 4.4Å; F220-I233 HydrophobicContact CD1-CD1 3.78Å; F220-I233 HydrophobicContact CD1-CG2 4.17Å; F220-I233 HydrophobicContact CE1-CD1 3.9Å; F220-I233 VanDerWaalsContact O-CG2 3.26Å; F220-I233 WeakPolarHBondContact O-CG2 3.41Å; W223-I233 HydrophobicContact CB-CG2 4.48Å; N224-I233 HydrophobicContact CB-CG2 3.76Å; N224-I233 WeakPolarHBondContact OD1-CB 3.23Å; N224-I233 WeakPolarHBondContact OD1-CG2 3.16Å; L228-I233 HydrophobicContact CB-CG1 4.49Å; S230-I233 PolarHBondContact O-N 3.38Å; S230-I233 WeakPolarHBondContact OG-CG1 3.28Å; F231-I233 PolarHBondContact O-N 2.65Å; I233-T236 PolarHBondContact O-N 3Å; I233-A237 PolarHBondContact O-N 3.12Å; I233-L327 HydrophobicContact CD1-CD2 4.1Å
234E98.3Very high98.3Very high91 Ų9153.4 Ų53.443%0.42526%0.26SS..Hα-helixtrans-56.8-52.9175.8-172.8-163.215200112.1S230 F231 T236 A237 N238S230-E234 PolarHBondContact O-N 3.11Å; F231-E234 WeakPolarHBondContact O-CB 3.37Å; F231-E234 PolarHBondContact O-N 3.19Å; E234-T236 VanDerWaalsContact C-N 3.3Å; E234-T236 PolarHBondContact O-N 2.87Å; E234-A237 WeakPolarHBondContact O-CB 3.31Å; E234-A237 PolarHBondContact O-N 2.96Å; E234-N238 PolarHBondContact O-N 3.33Å; E234-N238 VanDerWaalsContact O-N 3.12Å; E234-N238 PolarHBondContact O-ND2 3.43Å
235I97.9Very high98.2Very high48 Ų4858.9 Ų58.925%0.24629%0.294CS..Hα-helixtrans-68.6-31-179.568.3177.9000111.7F231 L232 N238 I239F231-I235 HydrophobicContact CD1-CD1 4.47Å; F231-I235 HydrophobicContact CD2-CG2 3.72Å; F231-I235 HydrophobicContact CE1-CD1 4.06Å; F231-I235 HydrophobicContact CE1-CG2 4.18Å; F231-I235 HydrophobicContact CE2-CG2 3.24Å; F231-I235 HydrophobicContact CG-CG2 4.42Å; F231-I235 HydrophobicContact CZ-CD1 4.32Å; F231-I235 HydrophobicContact CZ-CG2 3.51Å; F231-I235 WeakPolarHBondContact O-CG1 3.47Å; F231-I235 PolarHBondContact O-N 2.9Å; L232-I235 HydrophobicContact CD2-CD1 3.93Å; L232-I235 WeakPolarHBondContact O-CG1 3.49Å; I235-N238 PolarHBondContact O-N 2.69Å; I235-I239 HydrophobicContact CG1-CD1 4.47Å; I235-I239 WeakPolarHBondContact O-CB 3.18Å; I235-I239 WeakPolarHBondContact O-CD1 3.4Å; I235-I239 WeakPolarHBondContact O-CG1 3.43Å; I235-I239 PolarHBondContact O-N 2.68Å
236T98.8Very high98.2Very high27 Ų2755.9 Ų55.917%0.16629%0.286CS..Hα-helixtrans-61.6-44.5174-71.70000111.2I198 F220 L232 I233 E234 N238 I239 L240I198-T236 HydrophobicContact CG2-CG2 3.78Å; I198-T236 WeakPolarHBondContact CG2-OG1 3.46Å; F220-T236 HydrophobicContact CD1-CG2 4.1Å; F220-T236 HydrophobicContact CD2-CG2 3.77Å; F220-T236 HydrophobicContact CE1-CG2 4.14Å; F220-T236 HydrophobicContact CE2-CG2 3.82Å; F220-T236 HydrophobicContact CG-CG2 3.92Å; F220-T236 HydrophobicContact CZ-CG2 4Å; L232-T236 WeakPolarHBondContact O-CB 3.27Å; L232-T236 PolarHBondContact O-N 3.43Å; L232-T236 PolarHBondContact O-OG1 3.03Å; I233-T236 PolarHBondContact O-N 3Å; E234-T236 VanDerWaalsContact C-N 3.3Å; E234-T236 PolarHBondContact O-N 2.87Å; T236-N238 VanDerWaalsContact C-N 3.31Å; T236-N238 PolarHBondContact O-N 3.47Å; T236-I239 PolarHBondContact O-N 3.13Å; T236-L240 HydrophobicContact CG2-CD1 3.87Å; T236-L240 HydrophobicContact CG2-CG 4.44Å; T236-L240 WeakPolarHBondContact O-CB 3.35Å; T236-L240 VanDerWaalsContact O-CG 3.31Å; T236-L240 WeakPolarHBondContact O-CG 3.34Å; T236-L240 PolarHBondContact O-N 2.85Å
237A98.8Very high98.1Very high2 Ų255.6 Ų55.62%0.01729%0.293CS..Hα-helixtrans-59.6-41.2173.200000112.5F220 Q221 I233 E234 K241F220-A237 HydrophobicContact CB-CB 3.97Å; Q221-A237 HydrophobicContact CG-CB 3.62Å; I233-A237 PolarHBondContact O-N 3.12Å; E234-A237 WeakPolarHBondContact O-CB 3.31Å; E234-A237 PolarHBondContact O-N 2.96Å; A237-K241 PolarHBondContact O-N 3.1Å
238N98.6Very high98.1Very high65 Ų6558 Ų5835%0.34830%0.302SS..Hα-helixtrans-67.8-38.6178-68.5-25.7000112.9E234 I235 T236 K241 F242E234-N238 PolarHBondContact O-N 3.33Å; E234-N238 VanDerWaalsContact O-N 3.12Å; E234-N238 PolarHBondContact O-ND2 3.43Å; I235-N238 PolarHBondContact O-N 2.69Å; T236-N238 VanDerWaalsContact C-N 3.31Å; T236-N238 PolarHBondContact O-N 3.47Å; N238-K241 WeakPolarHBondContact O-CG 3.35Å; N238-K241 WeakPolarHBondContact OD1-CE 3.34Å; N238-K241 PolarHBondContact OD1-NZ 3.39Å; N238-F242 PolarHBondContact O-N 3.46Å
239I98.8Very high98.1Very high79 Ų7959.6 Ų59.641%0.40531%0.31SS..Hα-helixtrans-66.9-42.8177.3-71.4161.7000110.5I235 T236 K241 F242 L251I235-I239 HydrophobicContact CG1-CD1 4.47Å; I235-I239 WeakPolarHBondContact O-CB 3.18Å; I235-I239 WeakPolarHBondContact O-CD1 3.4Å; I235-I239 WeakPolarHBondContact O-CG1 3.43Å; I235-I239 PolarHBondContact O-N 2.68Å; T236-I239 PolarHBondContact O-N 3.13Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.32Å; I239-F242 PolarHBondContact O-N 2.75Å; I239-L251 HydrophobicContact CG2-CB 4.34Å; I239-L251 HydrophobicContact CG2-CD1 4.1Å; I239-L251 HydrophobicContact CG2-CD2 4.33Å; I239-L251 HydrophobicContact CG2-CG 4.49Å
240L98.8Very high98.2Very high2 Ų259.4 Ų59.41%0.0131%0.308CS..Hα-helixtrans-63.7-36.8-177.2-77.6166.5000113Y202 M216 A217 F220 T236 H249 L251Y202-L240 HydrophobicContact CD2-CD2 3.89Å; Y202-L240 HydrophobicContact CE2-CD2 3.77Å; M216-L240 HydrophobicContact CB-CD1 3.97Å; M216-L240 HydrophobicContact CE-CD2 4.48Å; A217-L240 HydrophobicContact CB-CB 3.72Å; F220-L240 HydrophobicContact CD2-CD1 3.42Å; F220-L240 VanDerWaalsContact CD2-CD1 3.42Å; F220-L240 HydrophobicContact CE2-CD1 3.78Å; F220-L240 HydrophobicContact CG-CD1 4.46Å; T236-L240 HydrophobicContact CG2-CD1 3.87Å; T236-L240 HydrophobicContact CG2-CG 4.44Å; T236-L240 WeakPolarHBondContact O-CB 3.35Å; T236-L240 VanDerWaalsContact O-CG 3.31Å; T236-L240 WeakPolarHBondContact O-CG 3.34Å; T236-L240 PolarHBondContact O-N 2.85Å; L240-H249 PolarHBondContact O-CD2 3.15Å; L240-L251 HydrophobicContact CD2-CD2 3.59Å; L240-L251 HydrophobicContact CG-CD2 4.43Å
241K97.9Very high98.2Very high91 Ų9161.4 Ų61.440%0.39632%0.318SS..THydrogen-bonded Turntrans-86-7178.975.4-167.3-169-160.90114.3A217 A237 N238 I239 Q243A217-K241 HydrophobicContact CB-CB 3.98Å; A237-K241 PolarHBondContact O-N 3.1Å; N238-K241 WeakPolarHBondContact O-CG 3.35Å; N238-K241 WeakPolarHBondContact OD1-CE 3.34Å; N238-K241 PolarHBondContact OD1-NZ 3.39Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.32Å; K241-Q243 PolarHBondContact O-N 3.16Å
242F98.7Very high98.3Very high116 Ų11663.4 Ų63.451%0.50934%0.335SS..PPolyproline II helixtrans-71.3123-175.3-171.7-86.2000111.1N238 I239 H249 L250N238-F242 PolarHBondContact O-N 3.46Å; I239-F242 PolarHBondContact O-N 2.75Å; F242-H249 WeakPolarHBondContact O-CA 3.45Å; F242-L250 HydrophobicContact CD1-CB 3.77Å; F242-L250 HydrophobicContact CD1-CD2 3.84Å; F242-L250 HydrophobicContact CD1-CG 4.48Å; F242-L250 HydrophobicContact CE1-CB 4.31Å; F242-L250 HydrophobicContact CE1-CD2 3.81Å; F242-L250 PolarHBondContact O-N 2.96Å
243Q98.3Very high98.3Very high104 Ų10467 Ų6749%0.48635%0.35SS..BIsolated β-bridgetrans-98.5137.3174.8-65.1-179.80.700110.5K241K241-Q243 PolarHBondContact O-N 3.16Å
244D98.1Very high98.3Very high51 Ų5171.5 Ų71.527%0.27337%0.374SS..PPolyproline II helixtrans-76.8172.6171.9-168.16.9000110.6D246 G247 K248 L250 K253D244-D246 PolarHBondContact O-N 2.94Å; D244-G247 PolarHBondContact O-N 3.41Å; D244-K248 WeakPolarHBondContact CB-O 3.4Å; D244-K248 PolarHBondContact N-O 3.06Å; D244-L250 HydrophobicContact CB-CB 4.24Å; D244-L250 HydrophobicContact CB-CD1 4.19Å; D244-K253 IonicContact OD2-NZ 2.78Å; D244-K253 PolarHBondContact OD2-NZ 3.41Å
245T97.4Very high98.3Very high143 Ų14374.4 Ų74.488%0.87738%0.381SS*.THydrogen-bonded Turntrans-56.7-19.5-179.653.70000114.8
246D97.4Very high98.3Very high87 Ų8775.4 Ų75.447%0.46539%0.386SS..THydrogen-bonded Turntrans-90.65.9175.372.6-9.8000114D244 K248 K253D244-D246 PolarHBondContact O-N 2.94Å; D246-K248 VanDerWaalsContact C-N 3.27Å; D246-K248 PolarHBondContact O-N 3.42Å; D246-K248 WeakPolarHBondContact OD1-CB 3.42Å; D246-K248 PolarHBondContact OD1-N 2.96Å; D246-K253 IonicContact OD1-NZ 2.76Å; D246-K253 PolarHBondContact OD1-NZ 3.03Å; D246-K253 IonicContact OD2-NZ 3.62Å; D246-K253 PolarHBondContact OD2-NZ 3.49Å
247G97.6Very high98.3Very high46 Ų4676.3 Ų76.347%0.47439%0.394SS..SBendtrans77.13.7-179.200000114.8D244D244-G247 PolarHBondContact O-N 3.41Å
248K98.1Very high98.2Very high139 Ų13978.1 Ų78.160%0.60441%0.409SS*.SBendtrans-99.1151175.7-59.4-179.5-178.1177.50110.6D244 D246 L250D244-K248 WeakPolarHBondContact CB-O 3.4Å; D244-K248 PolarHBondContact N-O 3.06Å; D246-K248 VanDerWaalsContact C-N 3.27Å; D246-K248 PolarHBondContact O-N 3.42Å; D246-K248 WeakPolarHBondContact OD1-CB 3.42Å; D246-K248 PolarHBondContact OD1-N 2.96Å; K248-L250 PolarHBondContact O-N 3.37Å
249H98.6Very high97.7Very high38 Ų3878 Ų7818%0.17642%0.422CS..BIsolated β-bridgetrans-55.5135.3174.5-63.691000111.8Q213 D214 L240 F242 P252Q213-H249 HydrophobicContact CG-CB 4.15Å; D214-H249 IonicContact OD1-CD2 3.37Å; D214-H249 IonicContact OD1-CE1 2.78Å; D214-H249 IonicContact OD1-NE2 2.69Å; D214-H249 PolarHBondContact OD1-NE2 3.38Å; D214-H249 IonicContact OD2-CE1 3.35Å; D214-H249 PolarHBondContact OD2-CE1 3.18Å; D214-H249 IonicContact OD2-NE2 3.24Å; D214-H249 PolarHBondContact OD2-NE2 3.32Å; L240-H249 PolarHBondContact O-CD2 3.15Å; F242-H249 WeakPolarHBondContact O-CA 3.45Å; H249-P252 HydrophobicContact CB-CG 4.34Å; H249-P252 WeakPolarHBondContact O-CD 3.46Å
250L98.7Very high97.1Very high59 Ų5977.6 Ų77.631%0.30942%0.419SS..SBendtrans-75-40.2-177179.260.7000112.2F242 D244 K248 K253 I254F242-L250 HydrophobicContact CD1-CB 3.77Å; F242-L250 HydrophobicContact CD1-CD2 3.84Å; F242-L250 HydrophobicContact CD1-CG 4.48Å; F242-L250 HydrophobicContact CE1-CB 4.31Å; F242-L250 HydrophobicContact CE1-CD2 3.81Å; F242-L250 PolarHBondContact O-N 2.96Å; D244-L250 HydrophobicContact CB-CB 4.24Å; D244-L250 HydrophobicContact CB-CD1 4.19Å; K248-L250 PolarHBondContact O-N 3.37Å; L250-K253 VanDerWaalsContact O-CB 3.32Å; L250-K253 WeakPolarHBondContact O-CB 3.46Å; L250-K253 PolarHBondContact O-N 3.33Å; L250-I254 HydrophobicContact CG-CD1 4.46Å
251L98.6Very high96.2Very high46 Ų4687 Ų8724%0.24146%0.46CS..G310 helixtrans-52.8-45.4-172.8178.466.8000113.7Y202 I239 L240 K253 I254Y202-L251 HydrophobicContact CE2-CD2 4.38Å; I239-L251 HydrophobicContact CG2-CB 4.34Å; I239-L251 HydrophobicContact CG2-CD1 4.1Å; I239-L251 HydrophobicContact CG2-CD2 4.33Å; I239-L251 HydrophobicContact CG2-CG 4.49Å; L240-L251 HydrophobicContact CD2-CD2 3.59Å; L240-L251 HydrophobicContact CG-CD2 4.43Å; L251-K253 PolarHBondContact O-N 3.48Å; L251-I254 HydrophobicContact CD1-CD1 4.21Å; L251-I254 PolarHBondContact O-N 2.94Å; L251-I254 VanDerWaalsContact O-N 3.09Å
252P98.6Very high95.3Very high83 Ų8383.5 Ų83.554%0.53945%0.45SS..G310 helixtrans-60.4-16.4176.8-25.736.2000115.3Q213 H249Q213-P252 HydrophobicContact CG-CG 4.41Å; H249-P252 HydrophobicContact CB-CG 4.34Å; H249-P252 WeakPolarHBondContact O-CD 3.46Å
253K98.4Very high94.6Very high87 Ų8778.5 Ų78.538%0.37843%0.429SS..G310 helixtrans-90.4-13.4179.4-48.5-176.1-164.71770113D244 D246 L250 L251D244-K253 IonicContact OD2-NZ 2.78Å; D244-K253 PolarHBondContact OD2-NZ 3.41Å; D246-K253 IonicContact OD1-NZ 2.76Å; D246-K253 PolarHBondContact OD1-NZ 3.03Å; D246-K253 IonicContact OD2-NZ 3.62Å; D246-K253 PolarHBondContact OD2-NZ 3.49Å; L250-K253 VanDerWaalsContact O-CB 3.32Å; L250-K253 WeakPolarHBondContact O-CB 3.46Å; L250-K253 PolarHBondContact O-N 3.33Å; L251-K253 PolarHBondContact O-N 3.48Å
254I98.6Very high94Very high98 Ų9873.6 Ų73.650%0.50341%0.406SS..SBendtrans-76.3133.9-176.2-60.6178.8000109.6L250 L251 D256L250-I254 HydrophobicContact CG-CD1 4.46Å; L251-I254 HydrophobicContact CD1-CD1 4.21Å; L251-I254 PolarHBondContact O-N 2.94Å; L251-I254 VanDerWaalsContact O-N 3.09Å; I254-D256 PolarHBondContact O-N 3.15Å
255R98.4Very high93.8Very high151 Ų15176.2 Ų76.257%0.5742%0.415SS*.  trans-62.8124.8174.3-175179.2178.7101.4-2110S257 D295R255-S257 PolarHBondContact O-N 3.36Å; R255-D295 IonicContact NH2-OD1 3.43Å
256D98Very high93.8Very high69 Ų6973 Ų7337%0.36939%0.387SS..SBendtrans-78.158.8178.860.8-48.8000112.3I254 K294 R297I254-D256 PolarHBondContact O-N 3.15Å; D256-K294 VanDerWaalsContact OD1-CD 3.31Å; D256-K294 WeakPolarHBondContact OD1-CD 3.42Å; D256-K294 WeakPolarHBondContact OD1-CE 3.45Å; D256-K294 IonicContact OD1-NZ 3.46Å; D256-K294 PolarHBondContact OD1-NZ 3.42Å; D256-K294 IonicContact OD2-NZ 3.58Å; D256-K294 PolarHBondContact OD2-NZ 2.98Å; D256-R297 PolarHBondContact O-NH2 3.37Å; D256-R297 IonicContact OD2-CZ 2.76Å; D256-R297 VanDerWaalsContact OD2-CZ 3.31Å; D256-R297 IonicContact OD2-NH1 2.78Å; D256-R297 PolarHBondContact OD2-NH1 3.22Å; D256-R297 IonicContact OD2-NH2 3.77Å; D256-R297 PolarHBondContact OD2-NH2 2.91Å
257S98Very high93.8Very high47 Ų4768.9 Ų68.933%0.32937%0.365SS..  trans-132.594.5178.1179.10000109.2R255 G259R255-S257 PolarHBondContact O-N 3.36Å; S257-G259 PolarHBondContact O-N 3.36Å
258A96.3Very high93.8Very high40 Ų4067.5 Ų67.533%0.33135%0.349SS..  trans-77.6116.3-173.900000111.8R288 S291A258-R288 HydrophobicContact CB-CB 4.21Å; A258-R288 HydrophobicContact CB-CG 3.93Å; A258-S291 PolarHBondContact N-OG 3.1Å
259G88.4Confident93.8Very high61 Ų6163.6 Ų63.663%0.62933%0.334SS*.  trans-69.8159.6169.600000112.7S257 R288S257-G259 PolarHBondContact O-N 3.36Å; G259-R288 PolarHBondContact O-NH1 3.03Å; G259-R288 VanDerWaalsContact O-NH1 3.16Å
260Q86.2Confident93.8Very high72 Ų7261.8 Ų61.834%0.33633%0.326SS..  trans-144.4144.1170.657.8178.9-0.800110.9Y192Y192-Q260 HydrophobicContact CE2-CB 3.93Å; Y192-Q260 WeakPolarHBondContact OH-CB 3.49Å
261K80.6Confident93.8Very high198 Ų19859.2 Ų59.286%0.86131%0.313SS*.  trans-959.7179.7-65.2-177.3-179.31750113.1
262G78.8Confident93.8Very high19 Ų1963.8 Ų63.820%0.19634%0.337CS..SBendtrans94-22.3174.800000116G264 K265 W266G262-G264 PolarHBondContact O-N 3.28Å; G262-K265 WeakPolarHBondContact O-CB 3.29Å; G262-K265 PolarHBondContact O-N 3.22Å; G262-W266 PolarHBondContact O-N 2.87Å
263T83.6Confident93.7Very high11 Ų1164.5 Ų64.57%0.06733%0.333CS..Hα-helixtrans-64.2-37.3-175.449.90000114N103 N188 W266N103-T263 HydrophobicContact CB-CG2 4.1Å; N188-T263 PolarHBondContact OD1-OG1 2.88Å; T263-W266 HydrophobicContact CG2-CE3 4.16Å; T263-W266 HydrophobicContact CG2-CZ3 4.03Å; T263-W266 PolarHBondContact O-N 3.43Å
264G86.3Confident93.7Very high0 Ų062.2 Ų62.20%032%0.322CS..Hα-helixtrans-64.6-40.7174.200000112.6G262 W266 T267 A268G262-G264 PolarHBondContact O-N 3.28Å; G264-W266 VanDerWaalsContact C-N 3.31Å; G264-W266 PolarHBondContact O-N 2.84Å; G264-T267 WeakPolarHBondContact O-CB 3.43Å; G264-T267 PolarHBondContact O-N 3.15Å; G264-A268 PolarHBondContact O-N 3.42Å
265K93.7Very high93.7Very high106 Ų10660.8 Ų60.846%0.46133%0.331SS..Hα-helixtrans-59.7-39.9176172.6-176.2168.2-178.40111.8G262 T267 A268 I269 V285G262-K265 WeakPolarHBondContact O-CB 3.29Å; G262-K265 PolarHBondContact O-N 3.22Å; K265-T267 VanDerWaalsContact C-N 3.27Å; K265-T267 PolarHBondContact O-N 2.95Å; K265-A268 PolarHBondContact O-N 3.41Å; K265-I269 HydrophobicContact CD-CD1 4.17Å; K265-I269 HydrophobicContact CG-CD1 3.74Å; K265-I269 HydrophobicContact CG-CG1 4.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.28Å; K265-I269 PolarHBondContact O-N 2.99Å; K265-V285 HydrophobicContact CB-CG1 4.28Å
266W96Very high93.7Very high77 Ų7754.3 Ų54.329%0.29231%0.309SS..Hα-helixtrans-63-32.7178.9-62.9-27.8000113.2M185 G262 T263 G264 I269 S270M185-W266 HydrophobicContact CG-CB 3.86Å; M185-W266 VanDerWaalsContact SD-C 3.6Å; M185-W266 HydrophobicContact SD-CB 3.5Å; M185-W266 WeakPolarHBondContact SD-CB 3.39Å; G262-W266 PolarHBondContact O-N 2.87Å; T263-W266 HydrophobicContact CG2-CE3 4.16Å; T263-W266 HydrophobicContact CG2-CZ3 4.03Å; T263-W266 PolarHBondContact O-N 3.43Å; G264-W266 VanDerWaalsContact C-N 3.31Å; G264-W266 PolarHBondContact O-N 2.84Å; W266-I269 PolarHBondContact O-N 3.31Å; W266-S270 VanDerWaalsContact O-CB 3.27Å; W266-S270 WeakPolarHBondContact O-CB 3.46Å; W266-S270 PolarHBondContact O-N 3.36Å
267T98.3Very high93.7Very high0 Ų053.8 Ų53.80%031%0.309CS..Hα-helixtrans-63.5-48.3174.3-55.10000111.1M185 V186 G264 K265 I269 S270 A271 I281 L341M185-T267 PolarHBondContact O-OG1 3.07Å; V186-T267 HydrophobicContact CG2-CG2 4.49Å; G264-T267 WeakPolarHBondContact O-CB 3.43Å; G264-T267 PolarHBondContact O-N 3.15Å; K265-T267 VanDerWaalsContact C-N 3.27Å; K265-T267 PolarHBondContact O-N 2.95Å; T267-I269 PolarHBondContact O-N 2.87Å; T267-S270 PolarHBondContact O-N 3.46Å; T267-A271 WeakPolarHBondContact O-CB 3.41Å; T267-A271 PolarHBondContact O-N 2.93Å; T267-I281 HydrophobicContact CG2-CD1 4.03Å; T267-I281 HydrophobicContact CG2-CG2 4.05Å; T267-L341 HydrophobicContact CG2-CD2 3.73Å
268A97.9Very high93.7Very high16 Ų1651.9 Ų51.913%0.13230%0.296CS..Hα-helixtrans-64.2-39.417800000112.4G264 K265 A271 L272G264-A268 PolarHBondContact O-N 3.42Å; K265-A268 PolarHBondContact O-N 3.41Å; A268-A271 WeakPolarHBondContact O-CB 3.43Å; A268-A271 PolarHBondContact O-N 3.49Å; A268-L272 WeakPolarHBondContact O-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.42Å; A268-L272 VanDerWaalsContact O-N 3.15Å
269I98.2Very high93.9Very high57 Ų5752.2 Ų52.229%0.29229%0.293SS..Hα-helixtrans-64.1-47.6175.1-72.1176.7000110.9K265 W266 T267 A271 L272 E273K265-I269 HydrophobicContact CD-CD1 4.17Å; K265-I269 HydrophobicContact CG-CD1 3.74Å; K265-I269 HydrophobicContact CG-CG1 4.25Å; K265-I269 WeakPolarHBondContact O-CG1 3.28Å; K265-I269 PolarHBondContact O-N 2.99Å; W266-I269 PolarHBondContact O-N 3.31Å; T267-I269 PolarHBondContact O-N 2.87Å; I269-A271 PolarHBondContact O-N 2.68Å; I269-L272 WeakPolarHBondContact O-CB 3.5Å; I269-L272 PolarHBondContact O-N 3.44Å; I269-L272 VanDerWaalsContact O-N 3.07Å; I269-E273 HydrophobicContact CG2-CG 4.13Å; I269-E273 WeakPolarHBondContact O-CG 3.46Å; I269-E273 PolarHBondContact O-N 3.18Å
270S98.1Very high94.4Very high1 Ų149.3 Ų49.31%0.00726%0.263CS..Hα-helixtrans-61-36.4179.1-175.80000111.9F182 W266 T267 E273 Y274F182-S270 WeakPolarHBondContact CE2-OG 3.34Å; W266-S270 VanDerWaalsContact O-CB 3.27Å; W266-S270 WeakPolarHBondContact O-CB 3.46Å; W266-S270 PolarHBondContact O-N 3.36Å; T267-S270 PolarHBondContact O-N 3.46Å; S270-E273 PolarHBondContact O-N 2.78Å; S270-Y274 WeakPolarHBondContact O-CB 3.26Å; S270-Y274 WeakPolarHBondContact O-CD2 3.43Å; S270-Y274 PolarHBondContact O-N 3.48Å; S270-Y274 VanDerWaalsContact OG-CD2 3.25Å; S270-Y274 WeakPolarHBondContact OG-CD2 3.48Å; S270-Y274 WeakPolarHBondContact OG-CE2 3.48Å
271A98.4Very high94.9Very high4 Ų445.9 Ų45.93%0.03325%0.247CC..Hα-helixtrans-61.8-43.2173.800000112.4T267 A268 I269 G275 V276 V278 L341T267-A271 WeakPolarHBondContact O-CB 3.41Å; T267-A271 PolarHBondContact O-N 2.93Å; A268-A271 WeakPolarHBondContact O-CB 3.43Å; A268-A271 PolarHBondContact O-N 3.49Å; I269-A271 PolarHBondContact O-N 2.68Å; A271-G275 PolarHBondContact O-N 3.47Å; A271-V276 PolarHBondContact O-N 3.19Å; A271-V278 HydrophobicContact CB-CB 3.61Å; A271-V278 HydrophobicContact CB-CG2 3.48Å; A271-V278 VanDerWaalsContact CB-CG2 3.48Å; A271-L341 HydrophobicContact CB-CD1 4.34Å; A271-L341 HydrophobicContact CB-CD2 4.42Å
272L98.1Very high95.8Very high143 Ų14337 Ų3775%0.74921%0.212SC*.Hα-helixtrans-65.1-44.7175.1-68.6165.7000111.9A268 I269 Y274 G275A268-L272 WeakPolarHBondContact O-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.42Å; A268-L272 VanDerWaalsContact O-N 3.15Å; I269-L272 WeakPolarHBondContact O-CB 3.5Å; I269-L272 PolarHBondContact O-N 3.44Å; I269-L272 VanDerWaalsContact O-N 3.07Å; L272-Y274 VanDerWaalsContact C-N 3.28Å; L272-Y274 PolarHBondContact O-N 3.4Å; L272-G275 PolarHBondContact O-N 2.9Å
273E98.1Very high96.8Very high98 Ų9839.5 Ų39.546%0.45822%0.219SC..Hα-helixtrans-60.2-37.6178.7-71.9172.3157.700112.1R107 I269 S270R107-E273 IonicContact CZ-OE2 2.78Å; R107-E273 IonicContact NH1-OE1 3.93Å; R107-E273 IonicContact NH1-OE2 3.64Å; R107-E273 PolarHBondContact NH1-OE2 3.38Å; R107-E273 VanDerWaalsContact NH1-OE2 3.1Å; R107-E273 IonicContact NH2-OE1 3.65Å; R107-E273 IonicContact NH2-OE2 3.15Å; R107-E273 PolarHBondContact NH2-OE2 3.21Å; I269-E273 HydrophobicContact CG2-CG 4.13Å; I269-E273 WeakPolarHBondContact O-CG 3.46Å; I269-E273 PolarHBondContact O-N 3.18Å; S270-E273 PolarHBondContact O-N 2.78Å
274Y97.8Very high97.5Very high38 Ų3839 Ų3915%0.14922%0.216CC..THydrogen-bonded Turntrans-100.110.7-178-58.8-49.7000114.4Y106 R107 F182 S270 L272 V276 E348 F349Y106-Y274 PolarHBondContact OH-OH 2.98Å; R107-Y274 PolarHBondContact NH2-OH 3.05Å; F182-Y274 HydrophobicContact CE2-CE2 4.43Å; S270-Y274 WeakPolarHBondContact O-CB 3.26Å; S270-Y274 WeakPolarHBondContact O-CD2 3.43Å; S270-Y274 PolarHBondContact O-N 3.48Å; S270-Y274 VanDerWaalsContact OG-CD2 3.25Å; S270-Y274 WeakPolarHBondContact OG-CD2 3.48Å; S270-Y274 WeakPolarHBondContact OG-CE2 3.48Å; L272-Y274 VanDerWaalsContact C-N 3.28Å; L272-Y274 PolarHBondContact O-N 3.4Å; Y274-V276 VanDerWaalsContact C-N 3.29Å; Y274-V276 PolarHBondContact O-N 3.39Å; Y274-E348 HydrophobicContact CD1-CG 3.74Å; Y274-E348 HydrophobicContact CE1-CG 4.09Å; Y274-E348 HydrophobicContact CG-CG 4.3Å; Y274-F349 HydrophobicContact CE1-CZ 4.5Å; Y274-F349 HydrophobicContact CE2-CE2 4.37Å; Y274-F349 HydrophobicContact CE2-CZ 4.37Å; Y274-F349 AromaticContact CZ-CZ 3.79Å; Y274-F349 WeakPolarHBondContact OH-CZ 3.43Å
275G97.6Very high98.1Very high68 Ų6839.4 Ų39.470%0.70122%0.218SC*.THydrogen-bonded Turntrans63.728.8176.500000114.8A271 L272A271-G275 PolarHBondContact O-N 3.47Å; L272-G275 PolarHBondContact O-N 2.9Å
276V98.7Very high98.3Very high16 Ų1640.6 Ų40.610%0.09722%0.224CC..  trans-100.5129.3-179.3-171.70000110.6A271 Y274 V278 M340 L341 Q344A271-V276 PolarHBondContact O-N 3.19Å; Y274-V276 VanDerWaalsContact C-N 3.29Å; Y274-V276 PolarHBondContact O-N 3.39Å; V276-V278 VanDerWaalsContact C-N 3.27Å; V276-V278 HydrophobicContact CB-CG2 4.14Å; V276-V278 HydrophobicContact CG1-CG2 3.72Å; V276-V278 PolarHBondContact O-N 3.19Å; V276-M340 HydrophobicContact CG1-CB 3.97Å; V276-L341 HydrophobicContact CB-CD1 4.25Å; V276-L341 HydrophobicContact CG1-CB 4.3Å; V276-L341 HydrophobicContact CG2-CD1 4.11Å; V276-Q344 HydrophobicContact CG2-CB 3.46Å; V276-Q344 VanDerWaalsContact CG2-CB 3.46Å; V276-Q344 HydrophobicContact CG2-CG 3.63Å
277P98.4Very high98.4Very high58 Ų5837.7 Ų37.738%0.37722%0.216SC..  trans-77.967.1-177.233-38.6000113.1T279 Q337 M340 F429P277-T279 HydrophobicContact CB-CG2 4.42Å; P277-T279 PolarHBondContact O-N 3.38Å; P277-Q337 WeakPolarHBondContact O-CG 3.5Å; P277-Q337 PolarHBondContact O-NE2 3.05Å; P277-M340 HydrophobicContact CG-CE 3.94Å; P277-F429 HydrophobicContact CB-CD2 4.38Å; P277-F429 HydrophobicContact CB-CE2 4.13Å; P277-F429 HydrophobicContact CG-CE2 3.79Å
278V98.8Very high98.5Very high7 Ų739.1 Ų39.14%0.04222%0.221CC..  trans-86.660.5177-165.80000111A271 V276 L280 I281 G282 Q337 L341A271-V278 HydrophobicContact CB-CB 3.61Å; A271-V278 HydrophobicContact CB-CG2 3.48Å; A271-V278 VanDerWaalsContact CB-CG2 3.48Å; V276-V278 VanDerWaalsContact C-N 3.27Å; V276-V278 HydrophobicContact CB-CG2 4.14Å; V276-V278 HydrophobicContact CG1-CG2 3.72Å; V276-V278 PolarHBondContact O-N 3.19Å; V278-L280 PolarHBondContact O-N 3.2Å; V278-I281 HydrophobicContact CG1-CB 3.89Å; V278-I281 HydrophobicContact CG1-CD1 3.65Å; V278-I281 HydrophobicContact CG1-CG1 3.95Å; V278-G282 PolarHBondContact O-N 2.9Å; V278-Q337 HydrophobicContact CB-CB 4.44Å; V278-Q337 HydrophobicContact CG1-CB 4.08Å; V278-L341 HydrophobicContact CG2-CB 3.86Å; V278-L341 HydrophobicContact CG2-CD2 4.2Å; V278-L341 HydrophobicContact CG2-CG 4.45Å
279T98.9Very high98.5Very high46 Ų4640.8 Ų40.828%0.28223%0.232SC..Hα-helixtrans-67.6-39.1-166.666.40000113.3P277 G282 E283 Q337 T425P277-T279 HydrophobicContact CB-CG2 4.42Å; P277-T279 PolarHBondContact O-N 3.38Å; T279-G282 PolarHBondContact O-N 3.3Å; T279-E283 PolarHBondContact O-N 3.03Å; T279-Q337 VanDerWaalsContact N-OE1 3.15Å; T279-Q337 PolarHBondContact OG1-NE2 3.31Å; T279-T425 WeakPolarHBondContact CB-OG1 3.49Å; T279-T425 PolarHBondContact OG1-OG1 3.4Å
280L98.9Very high98.5Very high0 Ų042.8 Ų42.80%024%0.242CC..Hα-helixtrans-66.4-43.9-175.4-170.9155.6000111.7G193 L197 V278 G282 E283 A284 S330 C422 T425 A426G193-L280 VanDerWaalsContact CA-CD2 3.42Å; L197-L280 HydrophobicContact CD1-CD1 4.18Å; L197-L280 HydrophobicContact CD2-CD1 3.98Å; L197-L280 HydrophobicContact CG-CD1 4.34Å; L197-L280 HydrophobicContact CG-CD2 4.47Å; V278-L280 PolarHBondContact O-N 3.2Å; L280-G282 VanDerWaalsContact C-N 3.29Å; L280-G282 PolarHBondContact O-N 3.35Å; L280-E283 PolarHBondContact O-N 3.05Å; L280-A284 WeakPolarHBondContact O-CB 3.39Å; L280-A284 PolarHBondContact O-N 2.7Å; L280-S330 WeakPolarHBondContact CD1-O 3.45Å; L280-C422 HydrophobicContact CD1-CB 4.25Å; L280-C422 HydrophobicContact CD2-CB 4.19Å; L280-C422 HydrophobicContact CG-CB 3.88Å; L280-T425 HydrophobicContact CB-CG2 3.99Å; L280-T425 HydrophobicContact CG-CG2 4.35Å; L280-A426 HydrophobicContact CD1-CB 3.83Å
281I98.8Very high98.5Very high0 Ų043.7 Ų43.70%025%0.249CC..Hα-helixtrans-65.4-37.5176.5-61.4176.6000110.4G189 I190 T267 V278 A284 V285G189-I281 VanDerWaalsContact C-CD1 3.46Å; G189-I281 WeakPolarHBondContact O-CG1 3.47Å; I190-I281 HydrophobicContact CG1-CD1 3.95Å; T267-I281 HydrophobicContact CG2-CD1 4.03Å; T267-I281 HydrophobicContact CG2-CG2 4.05Å; V278-I281 HydrophobicContact CG1-CB 3.89Å; V278-I281 HydrophobicContact CG1-CD1 3.65Å; V278-I281 HydrophobicContact CG1-CG1 3.95Å; I281-A284 PolarHBondContact O-N 3.34Å; I281-V285 WeakPolarHBondContact O-CG2 3.34Å; I281-V285 PolarHBondContact O-N 3.2Å
282G98.6Very high98.5Very high12 Ų1246.5 Ų46.512%0.12427%0.268CS..Hα-helixtrans-56.8-52.2172.300000112.2V278 T279 L280 A284 V285 F286V278-G282 PolarHBondContact O-N 2.9Å; T279-G282 PolarHBondContact O-N 3.3Å; L280-G282 VanDerWaalsContact C-N 3.29Å; L280-G282 PolarHBondContact O-N 3.35Å; G282-A284 VanDerWaalsContact C-N 3.34Å; G282-A284 PolarHBondContact O-N 3.16Å; G282-V285 WeakPolarHBondContact O-CB 3.49Å; G282-V285 PolarHBondContact O-N 3.07Å; G282-F286 WeakPolarHBondContact O-CD2 3.37Å; G282-F286 PolarHBondContact O-N 3.49Å
283E98.9Very high98.5Very high71 Ų7143.7 Ų43.733%0.33225%0.253SS..Hα-helixtrans-61.7-38.7176.6-75.5-54.8150.100112.9T279 L280 V285 F286 A287 P421 T425T279-E283 PolarHBondContact O-N 3.03Å; L280-E283 PolarHBondContact O-N 3.05Å; E283-V285 VanDerWaalsContact C-N 3.31Å; E283-V285 PolarHBondContact O-N 3.32Å; E283-F286 PolarHBondContact O-N 2.91Å; E283-A287 WeakPolarHBondContact O-CB 3.35Å; E283-A287 PolarHBondContact O-N 2.97Å; E283-P421 HydrophobicContact CB-CB 4.16Å; E283-P421 HydrophobicContact CG-CB 4.42Å; E283-T425 HydrophobicContact CB-CG2 4.18Å; E283-T425 HydrophobicContact CG-CG2 3.83Å
284A98.8Very high98.5Very high1 Ų141.1 Ų41.11%0.00824%0.241CC..Hα-helixtrans-63.4-36.5175.600000112.5Q196 L280 I281 G282 R288Q196-A284 HydrophobicContact CB-CB 3.88Å; Q196-A284 HydrophobicContact CG-CB 4.27Å; L280-A284 WeakPolarHBondContact O-CB 3.39Å; L280-A284 PolarHBondContact O-N 2.7Å; I281-A284 PolarHBondContact O-N 3.34Å; G282-A284 VanDerWaalsContact C-N 3.34Å; G282-A284 PolarHBondContact O-N 3.16Å; A284-R288 PolarHBondContact O-N 3.38Å
285V98.5Very high98.6Very high8 Ų844.2 Ų44.25%0.04826%0.26CS..Hα-helixtrans-67.2-46.6172.5171.50000110.5Y192 K265 I281 G282 E283 A287 R288 C289Y192-V285 HydrophobicContact CD2-CG2 4.12Å; K265-V285 HydrophobicContact CB-CG1 4.28Å; I281-V285 WeakPolarHBondContact O-CG2 3.34Å; I281-V285 PolarHBondContact O-N 3.2Å; G282-V285 WeakPolarHBondContact O-CB 3.49Å; G282-V285 PolarHBondContact O-N 3.07Å; E283-V285 VanDerWaalsContact C-N 3.31Å; E283-V285 PolarHBondContact O-N 3.32Å; V285-A287 VanDerWaalsContact C-N 3.32Å; V285-A287 PolarHBondContact O-N 2.9Å; V285-R288 WeakPolarHBondContact O-CB 3.49Å; V285-R288 PolarHBondContact O-N 3.23Å; V285-C289 PolarHBondContact O-N 3.34Å; V285-C289 VanDerWaalsContact O-N 3.17Å; V285-C289 PolarHBondContact O-SG 2.91Å
286F98.7Very high98.6Very high132 Ų13247.1 Ų47.158%0.57926%0.255SS*.Hα-helixtrans-65-34178.9-69.9-51.5000113G282 E283 R288 C289 L290G282-F286 WeakPolarHBondContact O-CD2 3.37Å; G282-F286 PolarHBondContact O-N 3.49Å; E283-F286 PolarHBondContact O-N 2.91Å; F286-R288 VanDerWaalsContact C-N 3.3Å; F286-R288 PolarHBondContact O-N 3.14Å; F286-C289 CarbonylContact O-C 3.5Å; F286-C289 WeakPolarHBondContact O-CB 3.47Å; F286-C289 PolarHBondContact O-N 3.15Å; F286-C289 VanDerWaalsContact O-N 3.14Å; F286-L290 WeakPolarHBondContact O-CB 3.4Å; F286-L290 PolarHBondContact O-N 3.39Å
287A98.8Very high98.6Very high15 Ų1549.8 Ų49.812%0.12426%0.264CS..Hα-helixtrans-61.1-38.1174.100000112Q196 E283 V285 L290 S291 P421Q196-A287 HydrophobicContact CG-CB 4.26Å; E283-A287 WeakPolarHBondContact O-CB 3.35Å; E283-A287 PolarHBondContact O-N 2.97Å; V285-A287 VanDerWaalsContact C-N 3.32Å; V285-A287 PolarHBondContact O-N 2.9Å; A287-L290 PolarHBondContact O-N 2.96Å; A287-S291 PolarHBondContact O-N 3.1Å; A287-P421 HydrophobicContact CB-CG 4.35Å
288R98.6Very high98.7Very high30 Ų3050.2 Ų50.211%0.11326%0.262CS..Hα-helixtrans-65.3-44.1172.5-65-170.4-173.2-147.24.8111.8Y192 M195 A258 G259 A284 V285 F286 L290 S291 S292Y192-R288 VanDerWaalsContact CD2-CZ 3.46Å; Y192-R288 VanDerWaalsContact CD2-NE 3.26Å; Y192-R288 VanDerWaalsContact CE2-CZ 3.41Å; Y192-R288 VanDerWaalsContact CG-NH2 3.31Å; Y192-R288 VanDerWaalsContact CZ-CZ 3.5Å; M195-R288 PolarHBondContact SD-NH2 2.89Å; M195-R288 VanDerWaalsContact SD-NH2 3.36Å; A258-R288 HydrophobicContact CB-CB 4.21Å; A258-R288 HydrophobicContact CB-CG 3.93Å; G259-R288 PolarHBondContact O-NH1 3.03Å; G259-R288 VanDerWaalsContact O-NH1 3.16Å; A284-R288 PolarHBondContact O-N 3.38Å; V285-R288 WeakPolarHBondContact O-CB 3.49Å; V285-R288 PolarHBondContact O-N 3.23Å; F286-R288 VanDerWaalsContact C-N 3.3Å; F286-R288 PolarHBondContact O-N 3.14Å; R288-L290 VanDerWaalsContact C-N 3.34Å; R288-L290 PolarHBondContact O-N 3.17Å; R288-S291 PolarHBondContact O-N 3.33Å; R288-S291 PolarHBondContact O-OG 3.27Å; R288-S292 PolarHBondContact O-N 3.1Å; R288-S292 VanDerWaalsContact O-N 3.16Å; R288-S292 PolarHBondContact O-OG 3.15Å; R288-S292 VanDerWaalsContact O-OG 3.09Å
289C98.3Very high98.7Very high52 Ų5255.5 Ų55.535%0.35129%0.286SS..Hα-helixtrans-57.6-47.1174.2-63.40000111.2V285 F286 S291 S292 L293V285-C289 PolarHBondContact O-N 3.34Å; V285-C289 VanDerWaalsContact O-N 3.17Å; V285-C289 PolarHBondContact O-SG 2.91Å; F286-C289 CarbonylContact O-C 3.5Å; F286-C289 WeakPolarHBondContact O-CB 3.47Å; F286-C289 PolarHBondContact O-N 3.15Å; F286-C289 VanDerWaalsContact O-N 3.14Å; C289-S291 VanDerWaalsContact C-N 3.34Å; C289-S291 PolarHBondContact O-N 3.49Å; C289-S292 WeakPolarHBondContact O-CB 3.39Å; C289-S292 PolarHBondContact O-N 3.14Å; C289-S292 VanDerWaalsContact O-N 3.11Å; C289-L293 PolarHBondContact O-N 3.47Å
290L98.7Very high98.6Very high98 Ų9855 Ų5551%0.51329%0.287SS..Hα-helixtrans-59.9-42.1177178.162.7000112.2F286 A287 R288 S292 L293 R297F286-L290 WeakPolarHBondContact O-CB 3.4Å; F286-L290 PolarHBondContact O-N 3.39Å; A287-L290 PolarHBondContact O-N 2.96Å; R288-L290 VanDerWaalsContact C-N 3.34Å; R288-L290 PolarHBondContact O-N 3.17Å; L290-S292 PolarHBondContact O-N 3.29Å; L290-L293 PolarHBondContact O-N 3.29Å; L290-R297 PolarHBondContact O-NE 2.78Å
291S98.6Very high98.6Very high21 Ų2159.2 Ų59.215%0.14732%0.317CS..Hα-helixtrans-61.7-33.1177.379.40000112.4A258 A287 R288 C289 L293 R297A258-S291 PolarHBondContact N-OG 3.1Å; A287-S291 PolarHBondContact O-N 3.1Å; R288-S291 PolarHBondContact O-N 3.33Å; R288-S291 PolarHBondContact O-OG 3.27Å; C289-S291 VanDerWaalsContact C-N 3.34Å; C289-S291 PolarHBondContact O-N 3.49Å; S291-L293 VanDerWaalsContact C-N 3.25Å; S291-L293 PolarHBondContact O-N 3.19Å; S291-R297 PolarHBondContact O-NH2 2.85Å
292S98.3Very high98.6Very high63 Ų6365.6 Ų65.644%0.44134%0.344SS..Hα-helixtrans-69-23.5179.9-59.10000112.8R288 C289 L290 K294R288-S292 PolarHBondContact O-N 3.1Å; R288-S292 VanDerWaalsContact O-N 3.16Å; R288-S292 PolarHBondContact O-OG 3.15Å; R288-S292 VanDerWaalsContact O-OG 3.09Å; C289-S292 WeakPolarHBondContact O-CB 3.39Å; C289-S292 PolarHBondContact O-N 3.14Å; C289-S292 VanDerWaalsContact O-N 3.11Å; L290-S292 PolarHBondContact O-N 3.29Å; S292-K294 PolarHBondContact O-N 2.96Å
293L98.4Very high98.6Very high83 Ų8373.3 Ų73.344%0.43537%0.374SS..  trans-76.543.3172.8-54.9179.3000111.6C289 L290 S291 D295 E296 R297C289-L293 PolarHBondContact O-N 3.47Å; L290-L293 PolarHBondContact O-N 3.29Å; S291-L293 VanDerWaalsContact C-N 3.25Å; S291-L293 PolarHBondContact O-N 3.19Å; L293-D295 PolarHBondContact O-N 2.94Å; L293-E296 HydrophobicContact CB-CB 4.23Å; L293-E296 PolarHBondContact O-N 3.41Å; L293-R297 WeakPolarHBondContact O-CG 3.31Å; L293-R297 PolarHBondContact O-N 3.13Å
294K98.6Very high98.6Very high44 Ų4476.2 Ų76.219%0.19139%0.391CS..Hα-helixtrans-58.7-48.2-170176.760.1-175.2-174.60112.6D256 S292 E296 R297 I298D256-K294 VanDerWaalsContact OD1-CD 3.31Å; D256-K294 WeakPolarHBondContact OD1-CD 3.42Å; D256-K294 WeakPolarHBondContact OD1-CE 3.45Å; D256-K294 IonicContact OD1-NZ 3.46Å; D256-K294 PolarHBondContact OD1-NZ 3.42Å; D256-K294 IonicContact OD2-NZ 3.58Å; D256-K294 PolarHBondContact OD2-NZ 2.98Å; S292-K294 PolarHBondContact O-N 2.96Å; K294-E296 VanDerWaalsContact C-N 3.32Å; K294-R297 VanDerWaalsContact CD-NH2 3.3Å; K294-R297 PolarHBondContact O-N 3.26Å; K294-I298 HydrophobicContact CD-CD1 4.41Å; K294-I298 HydrophobicContact CG-CD1 4.3Å; K294-I298 WeakPolarHBondContact O-CG1 3.26Å; K294-I298 PolarHBondContact O-N 3.39Å
295D98.6Very high98.5Very high104 Ų10485.9 Ų85.956%0.55643%0.433SS*.Hα-helixtrans-69.9-35.4-175.9-58.3-30.8000110.9R255 L293 I298 Q299R255-D295 IonicContact NH2-OD1 3.43Å; L293-D295 PolarHBondContact O-N 2.94Å; D295-I298 PolarHBondContact O-N 3.42Å; D295-Q299 WeakPolarHBondContact O-CG 3.39Å; D295-Q299 PolarHBondContact O-N 3.05Å
296E98.8Very high98.4Very high128 Ų12888.5 Ų88.560%0.59846%0.462SS*.Hα-helixtrans-64.9-44.3173.3-169.1174.6172.700111.6L293 K294 I298 Q299 A300L293-E296 HydrophobicContact CB-CB 4.23Å; L293-E296 PolarHBondContact O-N 3.41Å; K294-E296 VanDerWaalsContact C-N 3.32Å; E296-I298 VanDerWaalsContact C-N 3.31Å; E296-I298 PolarHBondContact O-N 3.13Å; E296-Q299 PolarHBondContact O-N 3.15Å; E296-Q299 VanDerWaalsContact O-N 3.07Å; E296-A300 WeakPolarHBondContact O-CB 3.45Å; E296-A300 PolarHBondContact O-N 3.49Å
297R98.8Very high98.3Very high73 Ų7385.6 Ų85.628%0.27546%0.456SS..Hα-helixtrans-60.6-37174.4-72.3-172.9-63.7113.1-3.7112.7D256 L290 S291 L293 K294 Q299 A300 S301D256-R297 PolarHBondContact O-NH2 3.37Å; D256-R297 IonicContact OD2-CZ 2.76Å; D256-R297 VanDerWaalsContact OD2-CZ 3.31Å; D256-R297 IonicContact OD2-NH1 2.78Å; D256-R297 PolarHBondContact OD2-NH1 3.22Å; D256-R297 IonicContact OD2-NH2 3.77Å; D256-R297 PolarHBondContact OD2-NH2 2.91Å; L290-R297 PolarHBondContact O-NE 2.78Å; S291-R297 PolarHBondContact O-NH2 2.85Å; L293-R297 WeakPolarHBondContact O-CG 3.31Å; L293-R297 PolarHBondContact O-N 3.13Å; K294-R297 VanDerWaalsContact CD-NH2 3.3Å; K294-R297 PolarHBondContact O-N 3.26Å; R297-Q299 VanDerWaalsContact C-N 3.31Å; R297-Q299 PolarHBondContact O-N 2.97Å; R297-A300 PolarHBondContact O-N 3.01Å; R297-S301 WeakPolarHBondContact O-CB 3.39Å; R297-S301 PolarHBondContact O-N 3.16Å
298I98.8Very high97.7Very high67 Ų6793.9 Ų93.934%0.34449%0.492SS..Hα-helixtrans-62.6-38.3174.2-70.4167.9000111.2K294 D295 E296 S301 K302K294-I298 HydrophobicContact CD-CD1 4.41Å; K294-I298 HydrophobicContact CG-CD1 4.3Å; K294-I298 WeakPolarHBondContact O-CG1 3.26Å; K294-I298 PolarHBondContact O-N 3.39Å; D295-I298 PolarHBondContact O-N 3.42Å; E296-I298 VanDerWaalsContact C-N 3.31Å; E296-I298 PolarHBondContact O-N 3.13Å; I298-S301 PolarHBondContact O-OG 3.42Å; I298-K302 WeakPolarHBondContact O-CE 3.47Å
299Q98.8Very high96.8Very high117 Ų117101.8 Ų101.855%0.54753%0.528SS..Hα-helixtrans-74.6-41.4177.2-59.9-62.224.100111.7D295 E296 R297 S301 K302D295-Q299 WeakPolarHBondContact O-CG 3.39Å; D295-Q299 PolarHBondContact O-N 3.05Å; E296-Q299 PolarHBondContact O-N 3.15Å; E296-Q299 VanDerWaalsContact O-N 3.07Å; R297-Q299 VanDerWaalsContact C-N 3.31Å; R297-Q299 PolarHBondContact O-N 2.97Å; Q299-S301 VanDerWaalsContact C-N 3.32Å; Q299-S301 PolarHBondContact O-N 3.46Å; Q299-K302 PolarHBondContact O-N 3.44Å
300A98.7Very high96.5Very high37 Ų37102.9 Ų102.931%0.30653%0.527SS..Hα-helixtrans-59.5-41.1177.700000111.8E296 R297 K302 K303 L304E296-A300 WeakPolarHBondContact O-CB 3.45Å; E296-A300 PolarHBondContact O-N 3.49Å; R297-A300 PolarHBondContact O-N 3.01Å; A300-K302 PolarHBondContact O-N 3.48Å; A300-K302 VanDerWaalsContact O-N 3.1Å; A300-K303 PolarHBondContact O-N 2.93Å; A300-L304 HydrophobicContact CB-CD1 4.09Å; A300-L304 HydrophobicContact CB-CG 4.47Å; A300-L304 PolarHBondContact O-N 3.32Å
301S98.3Very high96.2Very high88 Ų88104.8 Ų104.862%0.61553%0.533SS*.THydrogen-bonded Turntrans-63.1-19-178.971.90000114.5R297 I298 Q299R297-S301 WeakPolarHBondContact O-CB 3.39Å; R297-S301 PolarHBondContact O-N 3.16Å; I298-S301 PolarHBondContact O-OG 3.42Å; Q299-S301 VanDerWaalsContact C-N 3.32Å; Q299-S301 PolarHBondContact O-N 3.46Å
302K98.5Very high96Very high133 Ų133105.5 Ų105.558%0.57853%0.534SS*.THydrogen-bonded Turntrans-86-11.2176.1-59.8170.2-168.7165.70113.1I298 Q299 A300I298-K302 WeakPolarHBondContact O-CE 3.47Å; Q299-K302 PolarHBondContact O-N 3.44Å; A300-K302 PolarHBondContact O-N 3.48Å; A300-K302 VanDerWaalsContact O-N 3.1Å
303K98.4Very high95.8Very high174 Ų174110 Ų11076%0.75755%0.553SS**THydrogen-bonded Turntrans-123.9-40.9-169.9-60.2-63.8178.1-179.20112.7A300A300-K303 PolarHBondContact O-N 2.93Å
304L98.3Very high95.6Very high132 Ų132108.1 Ų108.169%0.69155%0.553SS**  trans-85.9132.5179.3-55-175.9000109.7A300A300-L304 HydrophobicContact CB-CD1 4.09Å; A300-L304 HydrophobicContact CB-CG 4.47Å; A300-L304 PolarHBondContact O-N 3.32Å
305K97.4Very high95.6Very high204 Ų204110.3 Ų110.389%0.88757%0.567SS**  trans-98.4137.8177.2-62.6-175.1179.5-174.90109.6
306G96.5Very high95.5Very high63 Ų63109 Ų10965%0.64956%0.556SS**  trans-81-169.3166.300000112.1
307P95.6Very high95.5Very high72 Ų72110.9 Ų110.947%0.46856%0.562SS.*SBendtrans-57.9161.8172.225.9-33.2000111.6Q415P307-Q415 WeakPolarHBondContact CG-O 3.3Å
308Q86.8Confident95.5Very high188 Ų188110.7 Ų110.788%0.87957%0.572SS**SBendtrans-57.4157.6169.1-67.6-170.8-0.800109.9F310Q308-F310 PolarHBondContact O-N 3.1Å
309K80.8Confident95.5Very high196 Ų196107.8 Ų107.885%0.85256%0.557SS**  trans-46.6102-173.1-171.2-179.6180-175.30111
310F91Very high95.5Very high76 Ų76103.8 Ų103.833%0.33354%0.539SS..  trans-79.7128.1175.2-178.2-87.7000107.9V208 Q308 F312 T412 Q415 A416V208-F310 HydrophobicContact CG1-CE1 4.14Å; Q308-F310 PolarHBondContact O-N 3.1Å; F310-F312 HydrophobicContact CE1-CB 4.1Å; F310-T412 HydrophobicContact CE1-CG2 4.26Å; F310-T412 HydrophobicContact CZ-CG2 3.85Å; F310-Q415 HydrophobicContact CD2-CB 3.96Å; F310-Q415 HydrophobicContact CE2-CB 3.69Å; F310-A416 HydrophobicContact CB-CB 4.31Å; F310-A416 HydrophobicContact CD1-CB 3.53Å; F310-A416 HydrophobicContact CD2-CB 4.23Å; F310-A416 HydrophobicContact CE1-CB 3.86Å; F310-A416 HydrophobicContact CG-CB 3.75Å; F310-A416 HydrophobicContact CZ-CB 4.36Å
311Q91.9Very high95.5Very high137 Ų137105.5 Ų105.564%0.6454%0.541SS*.  trans-122.7120.8172.6-178.861.555.900107.2D313Q311-D313 PolarHBondContact O-N 3.14Å
312F95.2Very high95.5Very high37 Ų37101.9 Ų101.916%0.16252%0.515CS..  trans-70.5126.1172.2-175.7-105000109.3V208 L209 F310 G314 F319 T412V208-F312 HydrophobicContact CG1-CB 3.96Å; V208-F312 HydrophobicContact CG1-CD2 3.91Å; V208-F312 HydrophobicContact CG1-CG 4.02Å; V208-F312 WeakPolarHBondContact O-CB 3.33Å; L209-F312 HydrophobicContact CD2-CD1 3.68Å; L209-F312 HydrophobicContact CD2-CE1 3.59Å; L209-F312 HydrophobicContact CD2-CG 4.34Å; L209-F312 HydrophobicContact CD2-CZ 4.2Å; F310-F312 HydrophobicContact CE1-CB 4.1Å; F312-G314 VanDerWaalsContact CE1-C 3.42Å; F312-G314 WeakPolarHBondContact CE1-O 3.44Å; F312-F319 HydrophobicContact CE1-CB 4.24Å; F312-F319 HydrophobicContact CE2-CB 4.02Å; F312-F319 HydrophobicContact CE2-CD1 4.17Å; F312-F319 HydrophobicContact CE2-CD2 4.1Å; F312-F319 AromaticContact CE2-CG 3.83Å; F312-F319 HydrophobicContact CE2-CG 3.83Å; F312-F319 HydrophobicContact CZ-CB 3.48Å; F312-F319 VanDerWaalsContact CZ-CB 3.48Å; F312-F319 HydrophobicContact CZ-CD1 4.28Å; F312-F319 HydrophobicContact CZ-CD2 4.42Å; F312-F319 AromaticContact CZ-CG 3.82Å; F312-F319 HydrophobicContact CZ-CG 3.82Å; F312-T412 HydrophobicContact CD2-CG2 4.36Å
313D93.4Very high95.6Very high158 Ų15895.6 Ų95.685%0.84549%0.487SS*.  trans-119.56.3-177.563.4-8.4000113.3Q311Q311-D313 PolarHBondContact O-N 3.14Å
314G95.1Very high95.6Very high42 Ų4288.4 Ų88.443%0.43346%0.455SS..SBendtrans-89.5-178.1178.700000114.7F312 K316F312-G314 VanDerWaalsContact CE1-C 3.42Å; F312-G314 WeakPolarHBondContact CE1-O 3.44Å; G314-K316 PolarHBondContact O-N 3.11Å
315D97.7Very high95.6Very high90 Ų9084 Ų8448%0.48143%0.431SS..  trans-73.4116.5173.5173.547.1000111.4K317 S318 F319D315-K317 VanDerWaalsContact C-N 3.26Å; D315-K317 PolarHBondContact O-N 3.22Å; D315-K317 PolarHBondContact OD1-N 3.2Å; D315-S318 PolarHBondContact O-N 2.87Å; D315-S318 WeakPolarHBondContact OD2-CB 3.27Å; D315-S318 PolarHBondContact OD2-N 3.27Å; D315-S318 PolarHBondContact OD2-OG 3.06Å; D315-F319 PolarHBondContact O-N 2.82Å
316K97.6Very high95.7Very high76 Ų7674.3 Ų74.333%0.3339%0.388SS..Hα-helixtrans-57.2-38-179.2178170.4175-179.90112L209 E215 G314 L320L209-K316 HydrophobicContact CB-CD 4.49Å; L209-K316 HydrophobicContact CB-CG 4.33Å; L209-K316 HydrophobicContact CD1-CG 4.14Å; L209-K316 HydrophobicContact CD2-CB 4.26Å; L209-K316 HydrophobicContact CD2-CG 3.97Å; L209-K316 HydrophobicContact CG-CG 4.37Å; E215-K316 IonicContact OE2-NZ 3.55Å; E215-K316 PolarHBondContact OE2-NZ 2.88Å; G314-K316 PolarHBondContact O-N 3.11Å; K316-L320 VanDerWaalsContact O-CB 3.3Å; K316-L320 WeakPolarHBondContact O-CB 3.39Å; K316-L320 PolarHBondContact O-N 3.37Å
317K98.3Very high95.8Very high169 Ų16971.5 Ų71.574%0.73536%0.359SS*.Hα-helixtrans-68.9-45.3-179.3-174.6-179.1179.4-177.70111.4D315 L320 E321D315-K317 VanDerWaalsContact C-N 3.26Å; D315-K317 PolarHBondContact O-N 3.22Å; D315-K317 PolarHBondContact OD1-N 3.2Å; K317-L320 PolarHBondContact O-N 2.85Å; K317-E321 PolarHBondContact O-N 3.15Å; K317-E321 VanDerWaalsContact O-N 3.09Å
318S98.6Very high96Very high68 Ų6868.6 Ų68.648%0.47634%0.338SS..Hα-helixtrans-62.4-43.9176.9-62.40000111.6D315 E321 D322D315-S318 PolarHBondContact O-N 2.87Å; D315-S318 WeakPolarHBondContact OD2-CB 3.27Å; D315-S318 PolarHBondContact OD2-N 3.27Å; D315-S318 PolarHBondContact OD2-OG 3.06Å; S318-E321 PolarHBondContact O-N 3.43Å; S318-D322 PolarHBondContact O-N 3.33Å
319F98.8Very high96.5Very high7 Ų759.7 Ų59.73%0.03130%0.296CS..Hα-helixtrans-70.7-31.7178.2-168.1-110.1000112.8V208 L209 F312 D315 E321 D322 I323 T412V208-F319 HydrophobicContact CB-CE1 4.18Å; V208-F319 HydrophobicContact CG1-CD1 4.27Å; V208-F319 HydrophobicContact CG1-CE1 3.68Å; V208-F319 HydrophobicContact CG1-CZ 4.33Å; L209-F319 HydrophobicContact CD1-CD1 4.1Å; L209-F319 HydrophobicContact CD2-CB 4.25Å; L209-F319 HydrophobicContact CD2-CD1 3.68Å; L209-F319 HydrophobicContact CD2-CG 4.4Å; L209-F319 HydrophobicContact CG-CD1 3.9Å; F312-F319 HydrophobicContact CE1-CB 4.24Å; F312-F319 HydrophobicContact CE2-CB 4.02Å; F312-F319 HydrophobicContact CE2-CD1 4.17Å; F312-F319 HydrophobicContact CE2-CD2 4.1Å; F312-F319 AromaticContact CE2-CG 3.83Å; F312-F319 HydrophobicContact CE2-CG 3.83Å; F312-F319 HydrophobicContact CZ-CB 3.48Å; F312-F319 VanDerWaalsContact CZ-CB 3.48Å; F312-F319 HydrophobicContact CZ-CD1 4.28Å; F312-F319 HydrophobicContact CZ-CD2 4.42Å; F312-F319 AromaticContact CZ-CG 3.82Å; F312-F319 HydrophobicContact CZ-CG 3.82Å; D315-F319 PolarHBondContact O-N 2.82Å; F319-E321 VanDerWaalsContact C-N 3.32Å; F319-E321 PolarHBondContact O-N 3.49Å; F319-D322 HydrophobicContact CD2-CB 4.24Å; F319-D322 WeakPolarHBondContact O-CB 3.47Å; F319-D322 PolarHBondContact O-N 3.01Å; F319-D322 VanDerWaalsContact O-N 3.15Å; F319-I323 HydrophobicContact CD1-CD1 3.89Å; F319-I323 HydrophobicContact CD1-CG1 4.22Å; F319-I323 HydrophobicContact CE1-CD1 3.8Å; F319-I323 HydrophobicContact CE1-CG1 3.99Å; F319-I323 HydrophobicContact CZ-CG1 4.38Å; F319-I323 VanDerWaalsContact O-CG1 3.3Å; F319-I323 WeakPolarHBondContact O-CG1 3.32Å; F319-I323 PolarHBondContact O-N 3.03Å; F319-T412 HydrophobicContact CE1-CG2 4.11Å; F319-T412 HydrophobicContact CE2-CG2 3.7Å; F319-T412 HydrophobicContact CZ-CG2 3.39Å
320L98.8Very high97.4Very high33 Ų3350.3 Ų50.317%0.17326%0.256CS..Hα-helixtrans-61.3-41.8171.2-17564.6000111.6M205 L209 M211 A219 W223 K316 K317 D322 I323 R324M205-L320 HydrophobicContact CE-CD1 3.65Å; M205-L320 HydrophobicContact CG-CD1 3.83Å; M205-L320 HydrophobicContact SD-CD1 3.94Å; L209-L320 HydrophobicContact CD1-CB 4.23Å; L209-L320 HydrophobicContact CD1-CD1 4.36Å; M211-L320 HydrophobicContact CE-CD1 4.33Å; M211-L320 HydrophobicContact CE-CD2 4.38Å; M211-L320 HydrophobicContact SD-CD1 4.08Å; A219-L320 HydrophobicContact CB-CD1 4.17Å; A219-L320 HydrophobicContact CB-CD2 3.97Å; W223-L320 HydrophobicContact CZ2-CD1 3.76Å; W223-L320 HydrophobicContact CZ2-CG 4.19Å; W223-L320 WeakPolarHBondContact CZ2-O 3.27Å; K316-L320 VanDerWaalsContact O-CB 3.3Å; K316-L320 WeakPolarHBondContact O-CB 3.39Å; K316-L320 PolarHBondContact O-N 3.37Å; K317-L320 PolarHBondContact O-N 2.85Å; L320-D322 VanDerWaalsContact C-N 3.31Å; L320-I323 PolarHBondContact O-N 3.26Å; L320-R324 PolarHBondContact O-N 2.84Å
321E98.9Very high97.8Very high72 Ų7247.2 Ų47.234%0.33624%0.242SC..Hα-helixtrans-65.5-35.6172.6178.857.2-163.700112K317 S318 F319 I323 R324 K325K317-E321 PolarHBondContact O-N 3.15Å; K317-E321 VanDerWaalsContact O-N 3.09Å; S318-E321 PolarHBondContact O-N 3.43Å; F319-E321 VanDerWaalsContact C-N 3.32Å; F319-E321 PolarHBondContact O-N 3.49Å; E321-I323 PolarHBondContact O-N 3.36Å; E321-R324 VanDerWaalsContact CD-NE 3.33Å; E321-R324 WeakPolarHBondContact O-CB 3.41Å; E321-R324 PolarHBondContact O-N 3.4Å; E321-R324 IonicContact OE1-CZ 3.29Å; E321-R324 IonicContact OE1-NE 3.21Å; E321-R324 PolarHBondContact OE1-NE 3.47Å; E321-R324 VanDerWaalsContact OE1-NE 3.1Å; E321-R324 IonicContact OE1-NH2 3.35Å; E321-R324 PolarHBondContact OE1-NH2 2.93Å; E321-R324 WeakPolarHBondContact OE2-CD 3.28Å; E321-R324 IonicContact OE2-CZ 2.76Å; E321-R324 IonicContact OE2-NE 2.77Å; E321-R324 PolarHBondContact OE2-NE 3.42Å; E321-R324 IonicContact OE2-NH2 3.1Å; E321-K325 HydrophobicContact CG-CD 4.13Å; E321-K325 WeakPolarHBondContact O-CG 3.3Å; E321-K325 PolarHBondContact O-N 3.22Å; E321-K325 VanDerWaalsContact OE1-CD 3.31Å; E321-K325 WeakPolarHBondContact OE1-CD 3.39Å; E321-K325 WeakPolarHBondContact OE1-CG 3.38Å
322D98.9Very high98.1Very high13 Ų1340.8 Ų40.87%0.0721%0.212CC..Hα-helixtrans-62-42.9174.3-73.2-23.3000112.1S318 F319 L320 R324 K325 A326 S405 R408S318-D322 PolarHBondContact O-N 3.33Å; F319-D322 HydrophobicContact CD2-CB 4.24Å; F319-D322 WeakPolarHBondContact O-CB 3.47Å; F319-D322 PolarHBondContact O-N 3.01Å; F319-D322 VanDerWaalsContact O-N 3.15Å; L320-D322 VanDerWaalsContact C-N 3.31Å; D322-R324 VanDerWaalsContact C-N 3.35Å; D322-K325 PolarHBondContact O-N 2.85Å; D322-A326 VanDerWaalsContact O-CB 3.31Å; D322-A326 WeakPolarHBondContact O-CB 3.44Å; D322-A326 PolarHBondContact O-N 3.35Å; D322-S405 WeakPolarHBondContact OD1-CA 3.45Å; D322-S405 WeakPolarHBondContact OD1-CB 3.34Å; D322-S405 PolarHBondContact OD1-OG 3.31Å; D322-R408 IonicContact OD1-CZ 3.14Å; D322-R408 IonicContact OD1-NE 3.79Å; D322-R408 IonicContact OD1-NH2 3.88Å; D322-R408 PolarHBondContact OD1-NH2 2.94Å; D322-R408 IonicContact OD2-CZ 2.69Å; D322-R408 IonicContact OD2-NE 2.68Å; D322-R408 PolarHBondContact OD2-NE 3.35Å; D322-R408 IonicContact OD2-NH2 2.69Å
323I98.9Very high98.3Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-62.3-43174.8-59.8163.8000110.4A201 L204 M205 L209 W223 F319 L320 E321 K325 A326 L327A201-I323 HydrophobicContact CB-CG2 3.62Å; L204-I323 HydrophobicContact CB-CD1 3.75Å; L204-I323 HydrophobicContact CB-CG1 4.18Å; L204-I323 HydrophobicContact CD1-CG1 4.13Å; L204-I323 HydrophobicContact CD1-CG2 4.27Å; M205-I323 HydrophobicContact CG-CD1 4.22Å; L209-I323 HydrophobicContact CD1-CD1 4.04Å; W223-I323 HydrophobicContact CH2-CB 4.17Å; W223-I323 HydrophobicContact CH2-CG2 3.75Å; W223-I323 HydrophobicContact CZ2-CB 4.48Å; F319-I323 HydrophobicContact CD1-CD1 3.89Å; F319-I323 HydrophobicContact CD1-CG1 4.22Å; F319-I323 HydrophobicContact CE1-CD1 3.8Å; F319-I323 HydrophobicContact CE1-CG1 3.99Å; F319-I323 HydrophobicContact CZ-CG1 4.38Å; F319-I323 VanDerWaalsContact O-CG1 3.3Å; F319-I323 WeakPolarHBondContact O-CG1 3.32Å; F319-I323 PolarHBondContact O-N 3.03Å; L320-I323 PolarHBondContact O-N 3.26Å; E321-I323 PolarHBondContact O-N 3.36Å; I323-K325 VanDerWaalsContact C-N 3.34Å; I323-K325 PolarHBondContact O-N 2.84Å; I323-A326 WeakPolarHBondContact O-CB 3.4Å; I323-A326 PolarHBondContact O-N 3.01Å; I323-L327 WeakPolarHBondContact O-CB 2.78Å; I323-L327 PolarHBondContact O-N 3.17Å
324R98.9Very high98.6Very high23 Ų2331.5 Ų31.59%0.08716%0.164CC..Hα-helixtrans-57.3-48178-167.4-168.971.185.63.1111.5W223 T226 E227 L228 L320 E321 D322 L327 Y328W223-R324 VanDerWaalsContact CD1-CD 3.47Å; W223-R324 HydrophobicContact CD2-CB 4.14Å; W223-R324 HydrophobicContact CD2-CG 3.76Å; W223-R324 HydrophobicContact CE3-CG 4.44Å; W223-R324 HydrophobicContact CG-CG 3.79Å; W223-R324 HydrophobicContact CH2-CB 4.23Å; W223-R324 HydrophobicContact CZ2-CB 3.6Å; W223-R324 HydrophobicContact CZ2-CG 4.19Å; T226-R324 PolarHBondContact OG1-NH1 2.97Å; E227-R324 IonicContact OE2-CZ 2.67Å; E227-R324 IonicContact OE2-NH1 3.53Å; E227-R324 PolarHBondContact OE2-NH1 3.49Å; E227-R324 IonicContact OE2-NH2 3.71Å; L228-R324 HydrophobicContact CD1-CG 3.57Å; L320-R324 PolarHBondContact O-N 2.84Å; E321-R324 VanDerWaalsContact CD-NE 3.33Å; E321-R324 WeakPolarHBondContact O-CB 3.41Å; E321-R324 PolarHBondContact O-N 3.4Å; E321-R324 IonicContact OE1-CZ 3.29Å; E321-R324 IonicContact OE1-NE 3.21Å; E321-R324 PolarHBondContact OE1-NE 3.47Å; E321-R324 VanDerWaalsContact OE1-NE 3.1Å; E321-R324 IonicContact OE1-NH2 3.35Å; E321-R324 PolarHBondContact OE1-NH2 2.93Å; E321-R324 WeakPolarHBondContact OE2-CD 3.28Å; E321-R324 IonicContact OE2-CZ 2.76Å; E321-R324 IonicContact OE2-NE 2.77Å; E321-R324 PolarHBondContact OE2-NE 3.42Å; E321-R324 IonicContact OE2-NH2 3.1Å; D322-R324 VanDerWaalsContact C-N 3.35Å; R324-L327 WeakPolarHBondContact O-CB 3.39Å; R324-L327 PolarHBondContact O-N 3.38Å; R324-Y328 PolarHBondContact O-N 2.76Å
325K98.9Very high98.7Very high41 Ų4129.5 Ų29.518%0.17814%0.144CC..Hα-helixtrans-70.7-34.6-179.6-70.7174.362.7-176.30112.3E321 D322 I323 Y328 A329 N401 C402 S405E321-K325 HydrophobicContact CG-CD 4.13Å; E321-K325 WeakPolarHBondContact O-CG 3.3Å; E321-K325 PolarHBondContact O-N 3.22Å; E321-K325 VanDerWaalsContact OE1-CD 3.31Å; E321-K325 WeakPolarHBondContact OE1-CD 3.39Å; E321-K325 WeakPolarHBondContact OE1-CG 3.38Å; D322-K325 PolarHBondContact O-N 2.85Å; I323-K325 VanDerWaalsContact C-N 3.34Å; I323-K325 PolarHBondContact O-N 2.84Å; K325-Y328 PolarHBondContact O-N 3.29Å; K325-A329 WeakPolarHBondContact O-CB 3.48Å; K325-A329 PolarHBondContact O-N 2.78Å; K325-N401 WeakPolarHBondContact CE-O 3.46Å; K325-N401 PolarHBondContact NZ-O 3.03Å; K325-C402 HydrophobicContact CB-CB 4.12Å; K325-S405 WeakPolarHBondContact CD-OG 3.39Å; K325-S405 WeakPolarHBondContact CE-OG 3.49Å; K325-S405 PolarHBondContact NZ-OG 3.45Å
326A98.9Very high98.8Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-61.8-45.2171.900000112D322 I323 S330 W406 A409 F423D322-A326 VanDerWaalsContact O-CB 3.31Å; D322-A326 WeakPolarHBondContact O-CB 3.44Å; D322-A326 PolarHBondContact O-N 3.35Å; I323-A326 WeakPolarHBondContact O-CB 3.4Å; I323-A326 PolarHBondContact O-N 3.01Å; A326-S330 VanDerWaalsContact O-CB 3.28Å; A326-S330 WeakPolarHBondContact O-CB 3.35Å; A326-S330 PolarHBondContact O-N 2.78Å; A326-S330 PolarHBondContact O-OG 3.28Å; A326-W406 HydrophobicContact CB-CB 4.38Å; A326-W406 HydrophobicContact CB-CG 4.31Å; A326-A409 HydrophobicContact CB-CB 3.67Å; A326-F423 HydrophobicContact CB-CD2 4.47Å; A326-F423 HydrophobicContact CB-CE2 4.27Å
327L98.9Very high98.8Very high4 Ų421.6 Ų21.62%0.02111%0.105CC..Hα-helixtrans-58.8-48.6173.9169.558.8000110.9L197 I198 A201 W223 L228 I233 I323 R324 S330 K331 F423L197-L327 HydrophobicContact CB-CD1 3.48Å; L197-L327 VanDerWaalsContact CB-CD1 3.48Å; L197-L327 HydrophobicContact CD1-CD1 4.45Å; I198-L327 HydrophobicContact CG1-CD1 4.44Å; A201-L327 HydrophobicContact CB-CD2 4.27Å; W223-L327 HydrophobicContact CE3-CD2 4.02Å; W223-L327 HydrophobicContact CZ3-CD2 3.72Å; L228-L327 HydrophobicContact CD1-CD2 3.76Å; L228-L327 HydrophobicContact CD1-CG 4.15Å; L228-L327 HydrophobicContact CD2-CD2 4.32Å; L228-L327 HydrophobicContact CD2-CG 4.08Å; I233-L327 HydrophobicContact CD1-CD2 4.1Å; I323-L327 WeakPolarHBondContact O-CB 2.78Å; I323-L327 PolarHBondContact O-N 3.17Å; R324-L327 WeakPolarHBondContact O-CB 3.39Å; R324-L327 PolarHBondContact O-N 3.38Å; L327-S330 PolarHBondContact O-N 2.76Å; L327-K331 WeakPolarHBondContact O-CB 3.23Å; L327-K331 PolarHBondContact O-N 2.92Å; L327-F423 HydrophobicContact CB-CE1 4.23Å; L327-F423 HydrophobicContact CB-CZ 4.08Å; L327-F423 HydrophobicContact CD1-CE1 4.37Å
328Y98.9Very high98.9Very high11 Ų1113.5 Ų13.54%0.0437%0.07CC..Hα-helixtrans-63.8-47.9-179.1-174.2-127.7000113.1E227 L228 R324 K325 S330 K331 I332 F372 A398E227-Y328 HydrophobicContact CB-CD2 4.29Å; E227-Y328 HydrophobicContact CB-CE1 4.15Å; E227-Y328 HydrophobicContact CB-CE2 3.75Å; E227-Y328 HydrophobicContact CG-CE1 4.4Å; L228-Y328 HydrophobicContact CD2-CD2 3.94Å; L228-Y328 HydrophobicContact CD2-CG 4.49Å; L228-Y328 HydrophobicContact CG-CD2 4.49Å; R324-Y328 PolarHBondContact O-N 2.76Å; K325-Y328 PolarHBondContact O-N 3.29Å; Y328-S330 PolarHBondContact O-N 2.89Å; Y328-K331 WeakPolarHBondContact O-CB 3.47Å; Y328-K331 PolarHBondContact O-N 2.92Å; Y328-I332 HydrophobicContact CD1-CD1 4.2Å; Y328-I332 HydrophobicContact CE1-CD1 3.91Å; Y328-I332 HydrophobicContact CE2-CD1 4.4Å; Y328-I332 WeakPolarHBondContact O-CG1 3.25Å; Y328-I332 PolarHBondContact O-N 3.1Å; Y328-F372 AromaticContact CE2-CD2 3.81Å; Y328-F372 HydrophobicContact CE2-CD2 3.81Å; Y328-F372 HydrophobicContact CE2-CE2 4.05Å; Y328-A398 HydrophobicContact CE1-CB 3.86Å
329A98.9Very high98.9Very high0 Ų010.7 Ų10.70%05%0.049CC..Hα-helixtrans-61.1-44.9177.100000111.9K325 K331 I332 I333 C402 W406K325-A329 WeakPolarHBondContact O-CB 3.48Å; K325-A329 PolarHBondContact O-N 2.78Å; A329-K331 VanDerWaalsContact C-N 3.31Å; A329-K331 PolarHBondContact O-N 3.46Å; A329-I332 WeakPolarHBondContact O-CB 3.36Å; A329-I332 PolarHBondContact O-N 3.5Å; A329-I332 VanDerWaalsContact O-N 3.15Å; A329-I333 WeakPolarHBondContact O-CG1 3.43Å; A329-I333 PolarHBondContact O-N 3.09Å; A329-I333 VanDerWaalsContact O-N 3.1Å; A329-C402 HydrophobicContact CB-CB 3.82Å; A329-W406 HydrophobicContact CB-CD2 3.72Å; A329-W406 HydrophobicContact CB-CE3 3.56Å; A329-W406 HydrophobicContact CB-CG 4.21Å; A329-W406 HydrophobicContact CB-CH2 4.45Å; A329-W406 HydrophobicContact CB-CZ3 3.97Å
330S98.9Very high98.9Very high0 Ų011.1 Ų11.10%05%0.051CC..Hα-helixtrans-64.7-36178.7-56.10000112.2L197 L280 A326 L327 Y328 I333 S334 W406 F423L197-S330 VanDerWaalsContact CD2-CB 3.44Å; L280-S330 WeakPolarHBondContact CD1-O 3.45Å; A326-S330 VanDerWaalsContact O-CB 3.28Å; A326-S330 WeakPolarHBondContact O-CB 3.35Å; A326-S330 PolarHBondContact O-N 2.78Å; A326-S330 PolarHBondContact O-OG 3.28Å; L327-S330 PolarHBondContact O-N 2.76Å; Y328-S330 PolarHBondContact O-N 2.89Å; S330-I333 PolarHBondContact O-N 3.08Å; S330-S334 PolarHBondContact O-N 3.32Å; S330-W406 PolarHBondContact OG-NE1 3.04Å; S330-W406 VanDerWaalsContact OG-NE1 3.1Å; S330-F423 WeakPolarHBondContact OG-CD1 3.15Å
331K98.9Very high98.9Very high11 Ų119.5 Ų9.55%0.0484%0.043CC..Hα-helixtrans-61.5-45.2172.3-177167.7-174.71660111.2D194 L197 L327 Y328 A329 I333 S334 Y335 F372D194-K331 WeakPolarHBondContact OD1-CE 3.41Å; D194-K331 VanDerWaalsContact OD2-CE 3.27Å; D194-K331 WeakPolarHBondContact OD2-CE 2.88Å; D194-K331 IonicContact OD2-NZ 3.66Å; D194-K331 PolarHBondContact OD2-NZ 3.37Å; L197-K331 HydrophobicContact CD1-CB 4.07Å; L327-K331 WeakPolarHBondContact O-CB 3.23Å; L327-K331 PolarHBondContact O-N 2.92Å; Y328-K331 WeakPolarHBondContact O-CB 3.47Å; Y328-K331 PolarHBondContact O-N 2.92Å; A329-K331 VanDerWaalsContact C-N 3.31Å; A329-K331 PolarHBondContact O-N 3.46Å; K331-I333 VanDerWaalsContact C-N 3.27Å; K331-I333 PolarHBondContact O-N 3.11Å; K331-S334 PolarHBondContact O-N 3.43Å; K331-Y335 HydrophobicContact CD-CE2 4.31Å; K331-Y335 HydrophobicContact CG-CD2 3.98Å; K331-Y335 HydrophobicContact CG-CE2 3.74Å; K331-Y335 VanDerWaalsContact O-CD2 3.26Å; K331-Y335 WeakPolarHBondContact O-CD2 3.4Å; K331-Y335 PolarHBondContact O-N 3.4Å; K331-Y335 VanDerWaalsContact O-N 3.14Å; K331-F372 HydrophobicContact CG-CE1 4.42Å
332I98.9Very high98.9Very high1 Ų16.1 Ų6.11%0.0053%0.027CC..Hα-helixtrans-55.2-45174.6-66.4164.4000111Y328 A329 Y335 A336 F372 L390 F395 A398 V399Y328-I332 HydrophobicContact CD1-CD1 4.2Å; Y328-I332 HydrophobicContact CE1-CD1 3.91Å; Y328-I332 HydrophobicContact CE2-CD1 4.4Å; Y328-I332 WeakPolarHBondContact O-CG1 3.25Å; Y328-I332 PolarHBondContact O-N 3.1Å; A329-I332 WeakPolarHBondContact O-CB 3.36Å; A329-I332 PolarHBondContact O-N 3.5Å; A329-I332 VanDerWaalsContact O-N 3.15Å; I332-Y335 PolarHBondContact O-N 3.34Å; I332-A336 WeakPolarHBondContact O-CB 3.4Å; I332-A336 PolarHBondContact O-N 3.4Å; I332-F372 HydrophobicContact CG1-CE2 3.65Å; I332-F372 HydrophobicContact CG1-CZ 3.99Å; I332-L390 HydrophobicContact CG2-CD2 3.66Å; I332-F395 HydrophobicContact CD1-CD1 4.27Å; I332-F395 HydrophobicContact CG1-CD1 4.03Å; I332-F395 HydrophobicContact CG2-CB 4.17Å; I332-F395 HydrophobicContact CG2-CD1 3.94Å; I332-F395 HydrophobicContact CG2-CG 4.35Å; I332-A398 HydrophobicContact CD1-CB 3.74Å; I332-V399 HydrophobicContact CB-CG2 4.17Å; I332-V399 HydrophobicContact CD1-CG2 3.89Å; I332-V399 HydrophobicContact CG2-CG2 3.8Å
333I98.9Very high98.8Very high0 Ų08.8 Ų8.80%04%0.036CC..Hα-helixtrans-61.1-47.1178.2-58.6-43.8000112A329 S330 K331 Y335 A336 Q337 L390 W406 A426 F429 Y430A329-I333 WeakPolarHBondContact O-CG1 3.43Å; A329-I333 PolarHBondContact O-N 3.09Å; A329-I333 VanDerWaalsContact O-N 3.1Å; S330-I333 PolarHBondContact O-N 3.08Å; K331-I333 VanDerWaalsContact C-N 3.27Å; K331-I333 PolarHBondContact O-N 3.11Å; I333-Y335 VanDerWaalsContact C-N 3.3Å; I333-Y335 PolarHBondContact O-N 3.11Å; I333-A336 WeakPolarHBondContact O-CB 3.49Å; I333-A336 PolarHBondContact O-N 3.09Å; I333-Q337 HydrophobicContact CG2-CG 4.3Å; I333-Q337 WeakPolarHBondContact O-CG 3.34Å; I333-Q337 PolarHBondContact O-N 3.27Å; I333-L390 HydrophobicContact CD1-CD1 4.02Å; I333-L390 HydrophobicContact CD1-CD2 3.78Å; I333-W406 HydrophobicContact CD1-CH2 4.26Å; I333-W406 HydrophobicContact CG1-CH2 3.63Å; I333-W406 HydrophobicContact CG1-CZ2 4.32Å; I333-W406 HydrophobicContact CG1-CZ3 4.46Å; I333-A426 HydrophobicContact CB-CB 3.84Å; I333-A426 HydrophobicContact CG1-CB 4.01Å; I333-A426 HydrophobicContact CG2-CB 3.95Å; I333-F429 HydrophobicContact CG2-CB 4.22Å; I333-F429 HydrophobicContact CG2-CD1 3.41Å; I333-F429 VanDerWaalsContact CG2-CD1 3.41Å; I333-F429 HydrophobicContact CG2-CE1 4.09Å; I333-F429 HydrophobicContact CG2-CG 4.07Å; I333-Y430 HydrophobicContact CD1-CD2 4.24Å
334S98.8Very high98.8Very high0 Ų011.2 Ų11.20%05%0.047CC..Hα-helixtrans-56-44.6179.1-177.60000112.1S330 K331 Q337 G338S330-S334 PolarHBondContact O-N 3.32Å; K331-S334 PolarHBondContact O-N 3.43Å; S334-Q337 PolarHBondContact O-N 3.49Å; S334-G338 PolarHBondContact O-N 2.92Å
335Y98.8Very high98.8Very high0 Ų010.1 Ų10.10%04%0.043CC..Hα-helixtrans-71.6-39.1178.7-78.2-111000111.6I190 D194 K331 I332 I333 Q337 G338 F339 I368 F372 L373 I376I190-Y335 HydrophobicContact CD1-CD1 4.05Å; I190-Y335 HydrophobicContact CD1-CE1 4.29Å; I190-Y335 HydrophobicContact CD1-CG 4.38Å; I190-Y335 HydrophobicContact CG2-CD1 4.25Å; I190-Y335 HydrophobicContact CG2-CD2 4.01Å; I190-Y335 HydrophobicContact CG2-CE1 3.69Å; I190-Y335 HydrophobicContact CG2-CE2 3.42Å; I190-Y335 VanDerWaalsContact CG2-CE2 3.42Å; I190-Y335 HydrophobicContact CG2-CG 4.42Å; I190-Y335 WeakPolarHBondContact CG2-OH 3.2Å; D194-Y335 WeakPolarHBondContact OD1-CE2 3.42Å; D194-Y335 PolarHBondContact OD2-OH 3.46Å; K331-Y335 HydrophobicContact CD-CE2 4.31Å; K331-Y335 HydrophobicContact CG-CD2 3.98Å; K331-Y335 HydrophobicContact CG-CE2 3.74Å; K331-Y335 VanDerWaalsContact O-CD2 3.26Å; K331-Y335 WeakPolarHBondContact O-CD2 3.4Å; K331-Y335 PolarHBondContact O-N 3.4Å; K331-Y335 VanDerWaalsContact O-N 3.14Å; I332-Y335 PolarHBondContact O-N 3.34Å; I333-Y335 VanDerWaalsContact C-N 3.3Å; I333-Y335 PolarHBondContact O-N 3.11Å; Y335-Q337 VanDerWaalsContact C-N 3.29Å; Y335-Q337 PolarHBondContact O-N 2.86Å; Y335-G338 PolarHBondContact O-N 3Å; Y335-F339 HydrophobicContact CD1-CE2 4.43Å; Y335-F339 WeakPolarHBondContact O-CD2 3.44Å; Y335-F339 PolarHBondContact O-N 3.47Å; Y335-I368 HydrophobicContact CE1-CD1 4.36Å; Y335-F372 HydrophobicContact CD1-CD1 4.35Å; Y335-F372 AromaticContact CD1-CE1 3.74Å; Y335-F372 HydrophobicContact CD1-CE1 3.74Å; Y335-F372 AromaticContact CD2-CE1 3.69Å; Y335-F372 HydrophobicContact CD2-CE1 3.69Å; Y335-F372 HydrophobicContact CD2-CZ 4.43Å; Y335-F372 HydrophobicContact CE1-CD1 4.2Å; Y335-F372 HydrophobicContact CE1-CE1 4.02Å; Y335-F372 HydrophobicContact CE2-CD1 4.37Å; Y335-F372 AromaticContact CE2-CE1 3.98Å; Y335-F372 HydrophobicContact CE2-CE1 3.98Å; Y335-F372 HydrophobicContact CG-CD1 4.48Å; Y335-F372 AromaticContact CG-CE1 3.54Å; Y335-F372 HydrophobicContact CG-CE1 3.54Å; Y335-F372 HydrophobicContact CG-CZ 4.32Å; Y335-L373 HydrophobicContact CD1-CD2 4.37Å; Y335-L373 HydrophobicContact CE1-CD2 3.84Å; Y335-L373 HydrophobicContact CE1-CG 4.24Å; Y335-I376 HydrophobicContact CD1-CD1 3.43Å; Y335-I376 VanDerWaalsContact CD1-CD1 3.43Å; Y335-I376 HydrophobicContact CE1-CD1 4.23Å; Y335-I376 HydrophobicContact CG-CD1 3.98Å
336A98.9Very high98.7Very high0 Ų08.6 Ų8.60%04%0.039CC..Hα-helixtrans-55.1-47.1172.600000111.2I332 I333 F339 M340 L389 L390I332-A336 WeakPolarHBondContact O-CB 3.4Å; I332-A336 PolarHBondContact O-N 3.4Å; I333-A336 WeakPolarHBondContact O-CB 3.49Å; I333-A336 PolarHBondContact O-N 3.09Å; A336-F339 PolarHBondContact O-N 2.93Å; A336-M340 VanDerWaalsContact O-CG 3.23Å; A336-M340 WeakPolarHBondContact O-CG 3.38Å; A336-M340 PolarHBondContact O-N 2.88Å; A336-L389 HydrophobicContact CB-CB 4.12Å; A336-L390 HydrophobicContact CB-CD1 4.44Å; A336-L390 HydrophobicContact CB-CD2 4.2Å; A336-L390 HydrophobicContact CB-CG 3.91Å
337Q98.9Very high98.7Very high0 Ų013.3 Ų13.30%07%0.068CC..Hα-helixtrans-62.1-43.7175.2-69.7177.2-7.100112.8P277 V278 T279 I333 S334 Y335 F339 M340 L341 F429P277-Q337 WeakPolarHBondContact O-CG 3.5Å; P277-Q337 PolarHBondContact O-NE2 3.05Å; V278-Q337 HydrophobicContact CB-CB 4.44Å; V278-Q337 HydrophobicContact CG1-CB 4.08Å; T279-Q337 VanDerWaalsContact N-OE1 3.15Å; T279-Q337 PolarHBondContact OG1-NE2 3.31Å; I333-Q337 HydrophobicContact CG2-CG 4.3Å; I333-Q337 WeakPolarHBondContact O-CG 3.34Å; I333-Q337 PolarHBondContact O-N 3.27Å; S334-Q337 PolarHBondContact O-N 3.49Å; Y335-Q337 VanDerWaalsContact C-N 3.29Å; Y335-Q337 PolarHBondContact O-N 2.86Å; Q337-F339 PolarHBondContact O-N 2.93Å; Q337-M340 WeakPolarHBondContact O-CB 3.18Å; Q337-M340 PolarHBondContact O-N 3.2Å; Q337-L341 PolarHBondContact O-N 3.4Å; Q337-F429 HydrophobicContact CG-CD1 4.43Å; Q337-F429 HydrophobicContact CG-CD2 4.41Å; Q337-F429 HydrophobicContact CG-CE1 4.18Å; Q337-F429 HydrophobicContact CG-CE2 4.18Å; Q337-F429 HydrophobicContact CG-CZ 4.05Å; Q337-F429 VanDerWaalsContact NE2-CD2 3.35Å
338G98.7Very high98.6Very high0 Ų017.9 Ų17.90%09%0.089CC..Hα-helixtrans-61.3-42.1177.300000113S334 Y335 L341 L342S334-G338 PolarHBondContact O-N 2.92Å; Y335-G338 PolarHBondContact O-N 3Å; G338-L341 WeakPolarHBondContact O-CB 3.47Å; G338-L341 PolarHBondContact O-N 2.92Å; G338-L342 WeakPolarHBondContact O-CG 3.41Å; G338-L342 PolarHBondContact O-N 2.98Å; G338-L342 VanDerWaalsContact O-N 3.08Å
339F98.8Very high98.5Very high8 Ų820.3 Ų20.34%0.03510%0.1CC..Hα-helixtrans-72.6-31.1176.5-83.4-98.6000112.7Y335 A336 Q337 L341 L342 R343 Y355 I358 A359 W362 I376 F380 L389Y335-F339 HydrophobicContact CD1-CE2 4.43Å; Y335-F339 WeakPolarHBondContact O-CD2 3.44Å; Y335-F339 PolarHBondContact O-N 3.47Å; A336-F339 PolarHBondContact O-N 2.93Å; Q337-F339 PolarHBondContact O-N 2.93Å; F339-L341 VanDerWaalsContact C-N 3.29Å; F339-L341 PolarHBondContact O-N 3.38Å; F339-L342 HydrophobicContact CD1-CD1 4.2Å; F339-L342 HydrophobicContact CE1-CD1 4.36Å; F339-L342 HydrophobicContact CG-CD1 4.42Å; F339-L342 PolarHBondContact O-N 3.24Å; F339-R343 PolarHBondContact O-N 2.75Å; F339-Y355 HydrophobicContact CD1-CD1 4.06Å; F339-Y355 HydrophobicContact CD1-CG 4.36Å; F339-Y355 HydrophobicContact CE1-CD1 4.45Å; F339-I358 HydrophobicContact CZ-CG2 4.48Å; F339-A359 HydrophobicContact CZ-CB 4.26Å; F339-W362 HydrophobicContact CE2-CE3 4.39Å; F339-W362 AromaticContact CE2-CZ3 3.77Å; F339-W362 HydrophobicContact CE2-CZ3 3.77Å; F339-W362 HydrophobicContact CZ-CE3 4.45Å; F339-W362 HydrophobicContact CZ-CZ3 4.03Å; F339-I376 HydrophobicContact CE1-CG2 4.09Å; F339-I376 HydrophobicContact CE2-CD1 4.17Å; F339-I376 HydrophobicContact CE2-CG2 3.9Å; F339-I376 HydrophobicContact CZ-CG2 3.58Å; F339-F380 HydrophobicContact CD1-CD2 4.48Å; F339-F380 AromaticContact CD1-CE2 3.4Å; F339-F380 HydrophobicContact CD1-CE2 3.4Å; F339-F380 AromaticContact CD1-CZ 3.65Å; F339-F380 HydrophobicContact CD1-CZ 3.65Å; F339-F380 HydrophobicContact CE1-CD2 4.24Å; F339-F380 AromaticContact CE1-CE2 3.53Å; F339-F380 HydrophobicContact CE1-CE2 3.53Å; F339-F380 HydrophobicContact CE1-CZ 4.22Å; F339-F380 HydrophobicContact CG-CE2 4.19Å; F339-F380 HydrophobicContact CG-CZ 4.37Å; F339-F380 HydrophobicContact CZ-CE2 4.41Å; F339-L389 HydrophobicContact CB-CD1 4.21Å; F339-L389 HydrophobicContact CD2-CD1 3.76Å; F339-L389 HydrophobicContact CE2-CD1 4.35Å; F339-L389 HydrophobicContact CG-CD1 4.03Å
340M98.7Very high98.4Very high16 Ų1623.2 Ų23.28%0.07913%0.129CC..Hα-helixtrans-59.9-40.9168.3-70.1165.568.600111.6V276 P277 A336 Q337 R343 Q344 N388 F429V276-M340 HydrophobicContact CG1-CB 3.97Å; P277-M340 HydrophobicContact CG-CE 3.94Å; A336-M340 VanDerWaalsContact O-CG 3.23Å; A336-M340 WeakPolarHBondContact O-CG 3.38Å; A336-M340 PolarHBondContact O-N 2.88Å; Q337-M340 WeakPolarHBondContact O-CB 3.18Å; Q337-M340 PolarHBondContact O-N 3.2Å; M340-R343 PolarHBondContact O-N 3.2Å; M340-Q344 PolarHBondContact O-N 3.18Å; M340-N388 PolarHBondContact SD-ND2 3Å; M340-F429 HydrophobicContact CE-CZ 4.35Å; M340-F429 HydrophobicContact SD-CZ 3.92Å
341L98.8Very high98.3Very high0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-65.8-42.6177.117960.8000112.1F182 V186 T267 A271 V276 V278 Q337 G338 F339 R343 Q344 A345F182-L341 HydrophobicContact CE1-CG 4.32Å; F182-L341 HydrophobicContact CZ-CD1 4.31Å; F182-L341 HydrophobicContact CZ-CG 4.11Å; V186-L341 HydrophobicContact CG2-CD2 3.94Å; V186-L341 HydrophobicContact CG2-CG 4.41Å; T267-L341 HydrophobicContact CG2-CD2 3.73Å; A271-L341 HydrophobicContact CB-CD1 4.34Å; A271-L341 HydrophobicContact CB-CD2 4.42Å; V276-L341 HydrophobicContact CB-CD1 4.25Å; V276-L341 HydrophobicContact CG1-CB 4.3Å; V276-L341 HydrophobicContact CG2-CD1 4.11Å; V278-L341 HydrophobicContact CG2-CB 3.86Å; V278-L341 HydrophobicContact CG2-CD2 4.2Å; V278-L341 HydrophobicContact CG2-CG 4.45Å; Q337-L341 PolarHBondContact O-N 3.4Å; G338-L341 WeakPolarHBondContact O-CB 3.47Å; G338-L341 PolarHBondContact O-N 2.92Å; F339-L341 VanDerWaalsContact C-N 3.29Å; F339-L341 PolarHBondContact O-N 3.38Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.2Å; L341-Q344 PolarHBondContact O-N 2.73Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.09Å
342L98.6Very high98Very high0 Ų029.1 Ų29.10%017%0.165CC..Hα-helixtrans-58.4-42.8173.6-68.3174.5000111.3F182 V183 V186 G338 F339 A345 A346 L353 Y355 I358 W362F182-L342 HydrophobicContact CD1-CD2 3.92Å; F182-L342 HydrophobicContact CE1-CD2 4.04Å; V183-L342 HydrophobicContact CG2-CD2 3.92Å; V186-L342 HydrophobicContact CB-CD2 4.13Å; V186-L342 HydrophobicContact CG1-CD2 4.34Å; V186-L342 HydrophobicContact CG1-CG 4.25Å; V186-L342 HydrophobicContact CG2-CD2 3.85Å; V186-L342 HydrophobicContact CG2-CG 4.47Å; G338-L342 WeakPolarHBondContact O-CG 3.41Å; G338-L342 PolarHBondContact O-N 2.98Å; G338-L342 VanDerWaalsContact O-N 3.08Å; F339-L342 HydrophobicContact CD1-CD1 4.2Å; F339-L342 HydrophobicContact CE1-CD1 4.36Å; F339-L342 HydrophobicContact CG-CD1 4.42Å; F339-L342 PolarHBondContact O-N 3.24Å; L342-A345 PolarHBondContact O-N 2.85Å; L342-A346 WeakPolarHBondContact O-CB 3.44Å; L342-A346 PolarHBondContact O-N 2.91Å; L342-L353 HydrophobicContact CB-CD1 4.33Å; L342-L353 WeakPolarHBondContact O-CD1 3.26Å; L342-Y355 HydrophobicContact CB-CD1 4.42Å; L342-Y355 HydrophobicContact CB-CE1 4Å; L342-I358 HydrophobicContact CD1-CD1 4.22Å; L342-I358 HydrophobicContact CD1-CG2 4.1Å; L342-W362 HydrophobicContact CD1-CH2 4.03Å
343R98.4Very high97.8Very high69 Ų6929.8 Ų29.826%0.2617%0.169SC..Hα-helixtrans-65-42.4177.2-174.2-166.665.3175.5-6.5113.1F339 M340 L341 A346 T347 Y355 Q387F339-R343 PolarHBondContact O-N 2.75Å; M340-R343 PolarHBondContact O-N 3.2Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.2Å; R343-A346 WeakPolarHBondContact O-CB 3.09Å; R343-A346 PolarHBondContact O-N 3Å; R343-T347 PolarHBondContact O-N 3.22Å; R343-T347 VanDerWaalsContact O-N 3.09Å; R343-T347 PolarHBondContact O-OG1 3Å; R343-Y355 VanDerWaalsContact CA-OH 3.27Å; R343-Y355 WeakPolarHBondContact CA-OH 3.44Å; R343-Q387 PolarHBondContact NH1-O 2.74Å
344Q98.5Very high97.6Very high51 Ų5133.9 Ų33.924%0.23819%0.19CC..Hα-helixtrans-63.7-46.1176.1-170.16229.800110.5V276 M340 L341 A346 T347 E348V276-Q344 HydrophobicContact CG2-CB 3.46Å; V276-Q344 VanDerWaalsContact CG2-CB 3.46Å; V276-Q344 HydrophobicContact CG2-CG 3.63Å; M340-Q344 PolarHBondContact O-N 3.18Å; L341-Q344 PolarHBondContact O-N 2.73Å; Q344-A346 VanDerWaalsContact C-N 3.28Å; Q344-A346 PolarHBondContact O-N 3.28Å; Q344-T347 WeakPolarHBondContact O-CA 3.48Å; Q344-T347 VanDerWaalsContact O-CB 3.31Å; Q344-T347 WeakPolarHBondContact O-CB 3.41Å; Q344-T347 PolarHBondContact O-N 3.29Å; Q344-E348 HydrophobicContact CG-CG 4.3Å; Q344-E348 PolarHBondContact NE2-OE1 3.09Å; Q344-E348 WeakPolarHBondContact O-CG 3.28Å; Q344-E348 PolarHBondContact O-N 2.68Å
345A98.1Very high97.5Very high0 Ų035.4 Ų35.40%020%0.197CC..Hα-helixtrans-59.9-38.6176.500000112.5F182 L341 L342 T347 E348 F349 W351F182-A345 HydrophobicContact CD1-CB 4.02Å; F182-A345 HydrophobicContact CE1-CB 3.41Å; F182-A345 VanDerWaalsContact CE1-CB 3.41Å; F182-A345 HydrophobicContact CE2-CB 4.02Å; F182-A345 HydrophobicContact CZ-CB 3.42Å; F182-A345 VanDerWaalsContact CZ-CB 3.42Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.09Å; L342-A345 PolarHBondContact O-N 2.85Å; A345-T347 VanDerWaalsContact C-N 3.27Å; A345-T347 PolarHBondContact O-N 2.95Å; A345-E348 PolarHBondContact O-N 3Å; A345-F349 HydrophobicContact CB-CD2 4.23Å; A345-F349 HydrophobicContact CB-CE2 4.29Å; A345-F349 WeakPolarHBondContact O-CB 3.41Å; A345-F349 WeakPolarHBondContact O-CD2 3.44Å; A345-F349 PolarHBondContact O-N 3.07Å; A345-W351 HydrophobicContact CB-CZ3 4.38Å
346A97.4Very high97.4Very high10 Ų1035.6 Ų35.68%0.08320%0.199CC..Hα-helixtrans-58.6-40.2172.700000112.1L342 R343 Q344 G350 W351 L353L342-A346 WeakPolarHBondContact O-CB 3.44Å; L342-A346 PolarHBondContact O-N 2.91Å; R343-A346 WeakPolarHBondContact O-CB 3.09Å; R343-A346 PolarHBondContact O-N 3Å; Q344-A346 VanDerWaalsContact C-N 3.28Å; Q344-A346 PolarHBondContact O-N 3.28Å; A346-G350 CarbonylContact O-C 3.46Å; A346-G350 VanDerWaalsContact O-CA 3.29Å; A346-G350 WeakPolarHBondContact O-CA 3.27Å; A346-G350 PolarHBondContact O-N 3.11Å; A346-W351 WeakPolarHBondContact CB-O 3.22Å; A346-W351 PolarHBondContact O-N 3.47Å; A346-L353 HydrophobicContact CB-CD1 3.96Å; A346-L353 HydrophobicContact CB-CG 3.99Å
347T97.8Very high97.3Very high99 Ų9936 Ų3661%0.60720%0.202SC*.Hα-helixtrans-67.4-50176.7-53.80000111.6R343 Q344 A345 F349 G350R343-T347 PolarHBondContact O-N 3.22Å; R343-T347 VanDerWaalsContact O-N 3.09Å; R343-T347 PolarHBondContact O-OG1 3Å; Q344-T347 WeakPolarHBondContact O-CA 3.48Å; Q344-T347 VanDerWaalsContact O-CB 3.31Å; Q344-T347 WeakPolarHBondContact O-CB 3.41Å; Q344-T347 PolarHBondContact O-N 3.29Å; A345-T347 VanDerWaalsContact C-N 3.27Å; A345-T347 PolarHBondContact O-N 2.95Å; T347-F349 VanDerWaalsContact C-N 3.32Å; T347-F349 PolarHBondContact O-N 3.32Å; T347-G350 PolarHBondContact O-N 3.07Å
348E97.8Very high97.2Very high99 Ų9936 Ų3646%0.46320%0.202SC..Hα-helixtrans-60.4-39-178.4-66.9-60.2148.300113Y274 Q344 A345Y274-E348 HydrophobicContact CD1-CG 3.74Å; Y274-E348 HydrophobicContact CE1-CG 4.09Å; Y274-E348 HydrophobicContact CG-CG 4.3Å; Q344-E348 HydrophobicContact CG-CG 4.3Å; Q344-E348 PolarHBondContact NE2-OE1 3.09Å; Q344-E348 WeakPolarHBondContact O-CG 3.28Å; Q344-E348 PolarHBondContact O-N 2.68Å; A345-E348 PolarHBondContact O-N 3Å
349F97.1Very high97.2Very high63 Ų6336 Ų3628%0.27620%0.202SC..Hα-helixtrans-103.7-1-174.1-57.6-57.2000114.2Y106 Y274 A345 T347 W351Y106-F349 AromaticContact CE2-CE2 3.87Å; Y106-F349 HydrophobicContact CE2-CE2 3.87Å; Y106-F349 AromaticContact CE2-CZ 3.65Å; Y106-F349 HydrophobicContact CE2-CZ 3.65Å; Y274-F349 HydrophobicContact CE1-CZ 4.5Å; Y274-F349 HydrophobicContact CE2-CE2 4.37Å; Y274-F349 HydrophobicContact CE2-CZ 4.37Å; Y274-F349 AromaticContact CZ-CZ 3.79Å; Y274-F349 WeakPolarHBondContact OH-CZ 3.43Å; A345-F349 HydrophobicContact CB-CD2 4.23Å; A345-F349 HydrophobicContact CB-CE2 4.29Å; A345-F349 WeakPolarHBondContact O-CB 3.41Å; A345-F349 WeakPolarHBondContact O-CD2 3.44Å; A345-F349 PolarHBondContact O-N 3.07Å; T347-F349 VanDerWaalsContact C-N 3.32Å; T347-F349 PolarHBondContact O-N 3.32Å; F349-W351 HydrophobicContact CB-CD2 3.73Å; F349-W351 VanDerWaalsContact CB-CE2 3.49Å; F349-W351 HydrophobicContact CB-CE3 4.36Å; F349-W351 HydrophobicContact CB-CG 3.93Å; F349-W351 HydrophobicContact CB-CZ2 3.96Å; F349-W351 HydrophobicContact CD2-CD2 4.2Å; F349-W351 HydrophobicContact CD2-CE3 4.03Å; F349-W351 AromaticContact CD2-CH2 3.54Å; F349-W351 HydrophobicContact CD2-CH2 3.54Å; F349-W351 AromaticContact CD2-CZ2 3.7Å; F349-W351 HydrophobicContact CD2-CZ2 3.7Å; F349-W351 AromaticContact CD2-CZ3 3.71Å; F349-W351 HydrophobicContact CD2-CZ3 3.71Å; F349-W351 AromaticContact CE2-CH2 3.95Å; F349-W351 HydrophobicContact CE2-CH2 3.95Å; F349-W351 HydrophobicContact CE2-CZ2 4.38Å; F349-W351 HydrophobicContact CE2-CZ3 4.28Å; F349-W351 HydrophobicContact CG-CD2 4.36Å; F349-W351 AromaticContact CG-CE2 3.96Å; F349-W351 HydrophobicContact CG-CH2 4.22Å; F349-W351 AromaticContact CG-CZ2 3.89Å; F349-W351 HydrophobicContact CG-CZ2 3.89Å; F349-W351 PolarHBondContact O-N 3.45Å
350G97.4Very high97.1Very high60 Ų6036.7 Ų36.762%0.61921%0.206SC*.THydrogen-bonded Turntrans61.927.7-174.300000113.4A346 T347A346-G350 CarbonylContact O-C 3.46Å; A346-G350 VanDerWaalsContact O-CA 3.29Å; A346-G350 WeakPolarHBondContact O-CA 3.27Å; A346-G350 PolarHBondContact O-N 3.11Å; T347-G350 PolarHBondContact O-N 3.07Å
351W96.9Very high97.1Very high12 Ų1236 Ų365%0.04520%0.203CC..  trans-77.9142177.5-62.2-21.3000110.9Y106 D176 A179 F182 A345 A346 F349 L353Y106-W351 HydrophobicContact CD2-CH2 4.3Å; D176-W351 PolarHBondContact O-NE1 2.76Å; A179-W351 HydrophobicContact CB-CD2 3.84Å; A179-W351 HydrophobicContact CB-CE3 3.79Å; A179-W351 HydrophobicContact CB-CG 4.38Å; A179-W351 HydrophobicContact CB-CH2 4.41Å; A179-W351 HydrophobicContact CB-CZ2 4.45Å; A179-W351 HydrophobicContact CB-CZ3 4.1Å; F182-W351 HydrophobicContact CB-CH2 3.9Å; F182-W351 HydrophobicContact CB-CZ3 3.72Å; F182-W351 HydrophobicContact CD1-CZ3 4.28Å; F182-W351 HydrophobicContact CD2-CH2 4.41Å; F182-W351 HydrophobicContact CD2-CZ3 4.32Å; F182-W351 HydrophobicContact CG-CH2 4.24Å; F182-W351 AromaticContact CG-CZ3 3.85Å; F182-W351 HydrophobicContact CG-CZ3 3.85Å; A345-W351 HydrophobicContact CB-CZ3 4.38Å; A346-W351 WeakPolarHBondContact CB-O 3.22Å; A346-W351 PolarHBondContact O-N 3.47Å; F349-W351 HydrophobicContact CB-CD2 3.73Å; F349-W351 VanDerWaalsContact CB-CE2 3.49Å; F349-W351 HydrophobicContact CB-CE3 4.36Å; F349-W351 HydrophobicContact CB-CG 3.93Å; F349-W351 HydrophobicContact CB-CZ2 3.96Å; F349-W351 HydrophobicContact CD2-CD2 4.2Å; F349-W351 HydrophobicContact CD2-CE3 4.03Å; F349-W351 AromaticContact CD2-CH2 3.54Å; F349-W351 HydrophobicContact CD2-CH2 3.54Å; F349-W351 AromaticContact CD2-CZ2 3.7Å; F349-W351 HydrophobicContact CD2-CZ2 3.7Å; F349-W351 AromaticContact CD2-CZ3 3.71Å; F349-W351 HydrophobicContact CD2-CZ3 3.71Å; F349-W351 AromaticContact CE2-CH2 3.95Å; F349-W351 HydrophobicContact CE2-CH2 3.95Å; F349-W351 HydrophobicContact CE2-CZ2 4.38Å; F349-W351 HydrophobicContact CE2-CZ3 4.28Å; F349-W351 HydrophobicContact CG-CD2 4.36Å; F349-W351 AromaticContact CG-CE2 3.96Å; F349-W351 HydrophobicContact CG-CH2 4.22Å; F349-W351 AromaticContact CG-CZ2 3.89Å; F349-W351 HydrophobicContact CG-CZ2 3.89Å; F349-W351 PolarHBondContact O-N 3.45Å; W351-L353 HydrophobicContact CB-CD2 4.03Å; W351-L353 HydrophobicContact CB-CG 4.2Å; W351-L353 HydrophobicContact CE3-CD2 4.31Å
352T91.9Very high97.1Very high123 Ų12336 Ų3676%0.75520%0.203SC*.  trans-94.4100.2166-57.90000109.1
353L95.3Very high96.8Very high15 Ų1539.4 Ų39.48%0.07922%0.216CC..  trans-96.6130.8180-60.9-173.3000111.5V174 A179 L342 A346 W351 Y355 I358V174-L353 HydrophobicContact CG1-CD2 4.19Å; A179-L353 HydrophobicContact CB-CD2 3.99Å; L342-L353 HydrophobicContact CB-CD1 4.33Å; L342-L353 WeakPolarHBondContact O-CD1 3.26Å; A346-L353 HydrophobicContact CB-CD1 3.96Å; A346-L353 HydrophobicContact CB-CG 3.99Å; W351-L353 HydrophobicContact CB-CD2 4.03Å; W351-L353 HydrophobicContact CB-CG 4.2Å; W351-L353 HydrophobicContact CE3-CD2 4.31Å; L353-Y355 HydrophobicContact CB-CD1 4.46Å; L353-Y355 HydrophobicContact CB-CE1 3.99Å; L353-Y355 HydrophobicContact CD1-CE1 4.38Å; L353-Y355 PolarHBondContact O-N 3.43Å; L353-I358 HydrophobicContact CB-CD1 4.23Å; L353-I358 HydrophobicContact CD1-CD1 4.5Å
354N93.3Very high96.5Very high86 Ų8636.5 Ų36.546%0.4621%0.208SC..  trans-88.894.3171.1-179.1-4.9000110.2G356 G357 I358N354-G356 PolarHBondContact O-N 2.97Å; N354-G356 PolarHBondContact OD1-N 3.18Å; N354-G357 CarbonylContact O-C 3.54Å; N354-G357 WeakPolarHBondContact O-CA 3.49Å; N354-G357 PolarHBondContact O-N 2.87Å; N354-G357 VanDerWaalsContact O-N 3.13Å; N354-G357 PolarHBondContact OD1-N 3.22Å; N354-I358 WeakPolarHBondContact O-CG1 3.31Å; N354-I358 PolarHBondContact O-N 2.79Å
355Y97.1Very high96.2Very high33 Ų3334.6 Ų34.613%0.12920%0.202CC..Hα-helixtrans-62-38.6-177.8-55.6-62.1000113.5F339 L342 R343 L353 G357 I358 A359 F380F339-Y355 HydrophobicContact CD1-CD1 4.06Å; F339-Y355 HydrophobicContact CD1-CG 4.36Å; F339-Y355 HydrophobicContact CE1-CD1 4.45Å; L342-Y355 HydrophobicContact CB-CD1 4.42Å; L342-Y355 HydrophobicContact CB-CE1 4Å; R343-Y355 VanDerWaalsContact CA-OH 3.27Å; R343-Y355 WeakPolarHBondContact CA-OH 3.44Å; L353-Y355 HydrophobicContact CB-CD1 4.46Å; L353-Y355 HydrophobicContact CB-CE1 3.99Å; L353-Y355 HydrophobicContact CD1-CE1 4.38Å; L353-Y355 PolarHBondContact O-N 3.43Å; Y355-G357 VanDerWaalsContact C-N 3.33Å; Y355-I358 PolarHBondContact O-N 3.4Å; Y355-A359 PolarHBondContact O-N 3.3Å; Y355-F380 HydrophobicContact CD2-CD1 4.12Å; Y355-F380 AromaticContact CD2-CE1 3.79Å; Y355-F380 HydrophobicContact CD2-CE1 3.79Å; Y355-F380 HydrophobicContact CD2-CZ 4.34Å; Y355-F380 HydrophobicContact CG-CD1 4.3Å; Y355-F380 AromaticContact CG-CE1 3.92Å; Y355-F380 HydrophobicContact CG-CE1 3.92Å; Y355-F380 HydrophobicContact CG-CZ 4.04Å
356G96.2Very high96.1Very high4 Ų434.6 Ų34.64%0.04120%0.202CC..Hα-helixtrans-63.6-39.5173.400000112.1N354 A359 L360N354-G356 PolarHBondContact O-N 2.97Å; N354-G356 PolarHBondContact OD1-N 3.18Å; G356-A359 PolarHBondContact O-N 2.98Å; G356-L360 PolarHBondContact O-N 3.17Å
357G96.7Very high96Very high7 Ų735.9 Ų35.97%0.07221%0.206CC..Hα-helixtrans-64.1-41.7172.400000113N354 Y355 L360 M361N354-G357 CarbonylContact O-C 3.54Å; N354-G357 WeakPolarHBondContact O-CA 3.49Å; N354-G357 PolarHBondContact O-N 2.87Å; N354-G357 VanDerWaalsContact O-N 3.13Å; N354-G357 PolarHBondContact OD1-N 3.22Å; Y355-G357 VanDerWaalsContact C-N 3.33Å; G357-L360 WeakPolarHBondContact O-CB 3.35Å; G357-L360 PolarHBondContact O-N 3.29Å; G357-M361 WeakPolarHBondContact O-CG 3.43Å; G357-M361 PolarHBondContact O-N 3.18Å
358I98.4Very high96Very high1 Ų131.2 Ų31.21%0.00518%0.178CC..Hα-helixtrans-61.9-45.8174.5-69.2165.5000110.6V183 F339 L342 L353 N354 Y355 L360 M361 W362V183-I358 HydrophobicContact CG1-CG1 4.17Å; V183-I358 HydrophobicContact CG1-CG2 3.77Å; V183-I358 HydrophobicContact CG2-CD1 3.67Å; V183-I358 HydrophobicContact CG2-CG1 4.09Å; F339-I358 HydrophobicContact CZ-CG2 4.48Å; L342-I358 HydrophobicContact CD1-CD1 4.22Å; L342-I358 HydrophobicContact CD1-CG2 4.1Å; L353-I358 HydrophobicContact CB-CD1 4.23Å; L353-I358 HydrophobicContact CD1-CD1 4.5Å; N354-I358 WeakPolarHBondContact O-CG1 3.31Å; N354-I358 PolarHBondContact O-N 2.79Å; Y355-I358 PolarHBondContact O-N 3.4Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 3.2Å; I358-M361 HydrophobicContact CB-CE 4.39Å; I358-M361 HydrophobicContact CG1-CE 3.92Å; I358-M361 PolarHBondContact O-N 3.42Å; I358-W362 HydrophobicContact CG2-CD2 4.03Å; I358-W362 HydrophobicContact CG2-CE3 4.16Å; I358-W362 HydrophobicContact CG2-CH2 3.78Å; I358-W362 HydrophobicContact CG2-CZ2 3.6Å; I358-W362 HydrophobicContact CG2-CZ3 4.04Å; I358-W362 PolarHBondContact O-N 3.12Å; I358-W362 VanDerWaalsContact O-N 3.11Å
359A97.9Very high95.8Very high0 Ų029.9 Ų29.90%017%0.169CC..Hα-helixtrans-58.2-46.2174.700000111.1F339 Y355 G356 M361 W362 R363 I376 K377F339-A359 HydrophobicContact CZ-CB 4.26Å; Y355-A359 PolarHBondContact O-N 3.3Å; G356-A359 PolarHBondContact O-N 2.98Å; A359-M361 PolarHBondContact O-N 3.05Å; A359-W362 PolarHBondContact O-N 3.44Å; A359-W362 VanDerWaalsContact O-N 3.12Å; A359-R363 WeakPolarHBondContact O-CG 3.47Å; A359-R363 PolarHBondContact O-N 2.85Å; A359-R363 VanDerWaalsContact O-N 3.13Å; A359-I376 HydrophobicContact CB-CB 4.13Å; A359-I376 HydrophobicContact CB-CG2 3.64Å; A359-K377 HydrophobicContact CB-CB 4.08Å
360L97.1Very high95.7Very high22 Ų2227.5 Ų27.512%0.11516%0.16CC..Hα-helixtrans-57.1-47.2174.2174.764.7000112.4V164 E168 G356 G357 I358 W362 R363 K377V164-L360 HydrophobicContact CG1-CD1 4.09Å; V164-L360 HydrophobicContact CG2-CD1 4.05Å; E168-L360 HydrophobicContact CB-CD1 4.28Å; E168-L360 HydrophobicContact CB-CD2 4.21Å; G356-L360 PolarHBondContact O-N 3.17Å; G357-L360 WeakPolarHBondContact O-CB 3.35Å; G357-L360 PolarHBondContact O-N 3.29Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 3.2Å; L360-W362 PolarHBondContact O-N 2.85Å; L360-R363 WeakPolarHBondContact O-CB 3.06Å; L360-R363 PolarHBondContact O-N 3.3Å; L360-K377 HydrophobicContact CB-CD 4.21Å
361M98.2Very high95.5Very high3 Ų328.3 Ų28.32%0.01515%0.153CC..Hα-helixtrans-58.7-30.4177.9-75.6-176.3-76.300112.1S140 M142 D172 V174 G357 I358 A359S140-M361 VanDerWaalsContact CB-O 3.27Å; S140-M361 WeakPolarHBondContact CB-O 3.4Å; S140-M361 PolarHBondContact OG-O 3.36Å; M142-M361 HydrophobicContact CB-SD 4.38Å; M142-M361 HydrophobicContact CG-SD 4.19Å; D172-M361 PolarHBondContact N-SD 3.16Å; V174-M361 HydrophobicContact CG2-CE 3.57Å; V174-M361 HydrophobicContact CG2-SD 3.95Å; G357-M361 WeakPolarHBondContact O-CG 3.43Å; G357-M361 PolarHBondContact O-N 3.18Å; I358-M361 HydrophobicContact CB-CE 4.39Å; I358-M361 HydrophobicContact CG1-CE 3.92Å; I358-M361 PolarHBondContact O-N 3.42Å; A359-M361 PolarHBondContact O-N 3.05Å
362W98.3Very high95.4Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-86.8-9.5176.3-59.2-14.7000113.7M142 V183 V186 H187 I190 F339 L342 I358 A359 L360 G364 C366 I368 R369 L373M142-W362 VanDerWaalsContact CE-NE1 3.3Å; M142-W362 PolarHBondContact SD-NE1 3.02Å; V183-W362 HydrophobicContact CG1-CZ2 3.59Å; V183-W362 WeakPolarHBondContact O-CZ2 3.08Å; V186-W362 HydrophobicContact CG1-CH2 4.22Å; H187-W362 HydrophobicContact CB-CZ2 3.78Å; H187-W362 AromaticContact CD2-CD1 3.79Å; H187-W362 AromaticContact CD2-NE1 3.93Å; I190-W362 HydrophobicContact CD1-CH2 4Å; I190-W362 HydrophobicContact CD1-CZ3 3.64Å; F339-W362 HydrophobicContact CE2-CE3 4.39Å; F339-W362 AromaticContact CE2-CZ3 3.77Å; F339-W362 HydrophobicContact CE2-CZ3 3.77Å; F339-W362 HydrophobicContact CZ-CE3 4.45Å; F339-W362 HydrophobicContact CZ-CZ3 4.03Å; L342-W362 HydrophobicContact CD1-CH2 4.03Å; I358-W362 HydrophobicContact CG2-CD2 4.03Å; I358-W362 HydrophobicContact CG2-CE3 4.16Å; I358-W362 HydrophobicContact CG2-CH2 3.78Å; I358-W362 HydrophobicContact CG2-CZ2 3.6Å; I358-W362 HydrophobicContact CG2-CZ3 4.04Å; I358-W362 PolarHBondContact O-N 3.12Å; I358-W362 VanDerWaalsContact O-N 3.11Å; A359-W362 PolarHBondContact O-N 3.44Å; A359-W362 VanDerWaalsContact O-N 3.12Å; L360-W362 PolarHBondContact O-N 2.85Å; W362-G364 VanDerWaalsContact C-N 3.32Å; W362-G364 PolarHBondContact O-N 2.89Å; W362-C366 PolarHBondContact O-SG 3.4Å; W362-I368 HydrophobicContact CB-CD1 4.21Å; W362-I368 HydrophobicContact CB-CG1 4.33Å; W362-I368 HydrophobicContact CD2-CD1 4.04Å; W362-I368 HydrophobicContact CE3-CD1 4Å; W362-I368 HydrophobicContact CG-CD1 4.16Å; W362-R369 WeakPolarHBondContact O-CA 3.19Å; W362-L373 HydrophobicContact CB-CD1 3.73Å; W362-L373 HydrophobicContact CB-CD2 3.87Å; W362-L373 HydrophobicContact CB-CG 4.42Å; W362-L373 HydrophobicContact CE3-CD2 4.06Å; W362-L373 WeakPolarHBondContact O-CD1 3.44Å
363R93.9Very high95.6Very high70 Ų7022.1 Ų22.126%0.26412%0.116SC..Hα-helixtrans-68.2-26.8-177.7-77.2178.770.9-164.7-0.3114.5V164 A359 L360 R369 L373V164-R363 HydrophobicContact CG1-CB 3.66Å; A359-R363 WeakPolarHBondContact O-CG 3.47Å; A359-R363 PolarHBondContact O-N 2.85Å; A359-R363 VanDerWaalsContact O-N 3.13Å; L360-R363 WeakPolarHBondContact O-CB 3.06Å; L360-R363 PolarHBondContact O-N 3.3Å; R363-R369 WeakPolarHBondContact O-CB 3.44Å; R363-L373 HydrophobicContact CB-CB 4.48Å; R363-L373 HydrophobicContact CG-CB 3.56Å
364G91.8Very high95.7Very high9 Ų921.7 Ų21.79%0.09312%0.115CC..SBendtrans-143.7159.7-17700000111.5C170 W362 C366C170-G364 WeakPolarHBondContact SG-CA 3.26Å; C170-G364 PolarHBondContact SG-N 3.27Å; C170-G364 VanDerWaalsContact SG-N 3.41Å; W362-G364 VanDerWaalsContact C-N 3.32Å; W362-G364 PolarHBondContact O-N 2.89Å; G364-C366 PolarHBondContact O-N 3.38Å
365G92.4Very high95.9Very high11 Ų1121.3 Ų21.311%0.11311%0.109CC..SBendtrans69.8-23.917800000115.6S129 G130 G138S129-G365 CarbonylContact C-O 3.56Å; G130-G365 WeakPolarHBondContact CA-O 3.47Å; G130-G365 PolarHBondContact N-O 3.38Å; G138-G365 WeakPolarHBondContact O-CA 3.45Å
366C94.9Very high96Very high0 Ų019.8 Ų19.80%010%0.103CC..SBendtrans-90.3172.3178.988.10000113S129 H187 W362 G364 I368 R369S129-C366 WeakPolarHBondContact OG-CB 3.18Å; H187-C366 VanDerWaalsContact NE2-CB 3.31Å; H187-C366 WeakPolarHBondContact NE2-CB 3.23Å; H187-C366 PolarHBondContact NE2-SG 2.76Å; W362-C366 PolarHBondContact O-SG 3.4Å; G364-C366 PolarHBondContact O-N 3.38Å; C366-I368 WeakPolarHBondContact SG-CG1 3.33Å; C366-R369 WeakPolarHBondContact O-CB 3.21Å; C366-R369 WeakPolarHBondContact O-CD 3.23Å; C366-R369 VanDerWaalsContact O-CG 3.27Å; C366-R369 WeakPolarHBondContact O-CG 3.39Å; C366-R369 PolarHBondContact O-NH1 3.1Å; C366-R369 PolarHBondContact SG-N 2.75Å
367I95.3Very high96Very high36 Ų3621.3 Ų21.319%0.18511%0.108CC..THydrogen-bonded Turntrans-73.7-37.7-179.6-59.4-58.1000111.9E191 F231 L232 R369E191-I367 HydrophobicContact CG-CB 4.34Å; E191-I367 HydrophobicContact CG-CG2 3.9Å; E191-I367 VanDerWaalsContact OE2-CB 3.31Å; E191-I367 WeakPolarHBondContact OE2-CB 3.49Å; F231-I367 HydrophobicContact CD1-CG2 4.48Å; F231-I367 HydrophobicContact CE1-CD1 4.15Å; L232-I367 HydrophobicContact CD2-CG2 3.79Å; L232-I367 HydrophobicContact CG-CG2 4.23Å; I367-R369 PolarHBondContact O-N 3.05Å
368I97.3Very high96.1Very high2 Ų223.7 Ų23.71%0.0112%0.12CC..THydrogen-bonded Turntrans-81.49.2-178.966.8174.8000113.7I190 E191 Y335 W362 C366 S370 L373I190-I368 HydrophobicContact CB-CD1 4.32Å; I190-I368 HydrophobicContact CG2-CD1 3.81Å; I190-I368 HydrophobicContact CG2-CG2 4.35Å; E191-I368 VanDerWaalsContact CA-CG2 3.48Å; E191-I368 HydrophobicContact CB-CG2 3.64Å; E191-I368 HydrophobicContact CG-CG2 4.13Å; Y335-I368 HydrophobicContact CE1-CD1 4.36Å; W362-I368 HydrophobicContact CB-CD1 4.21Å; W362-I368 HydrophobicContact CB-CG1 4.33Å; W362-I368 HydrophobicContact CD2-CD1 4.04Å; W362-I368 HydrophobicContact CE3-CD1 4Å; W362-I368 HydrophobicContact CG-CD1 4.16Å; C366-I368 WeakPolarHBondContact SG-CG1 3.33Å; I368-S370 PolarHBondContact O-N 3.3Å; I368-S370 PolarHBondContact O-OG 3.17Å; I368-L373 HydrophobicContact CG1-CD1 4.23Å; I368-L373 VanDerWaalsContact O-CD1 3.3Å; I368-L373 WeakPolarHBondContact O-CD1 3.35Å
369R94.6Very high96.1Very high71 Ų7123.6 Ų23.627%0.26812%0.119SC..  trans-54.9132.5-177.568.7-178.5-178.6-81.26.1111.6F231 W362 R363 C366 I367F231-R369 HydrophobicContact CB-CG 3.66Å; F231-R369 VanDerWaalsContact CD2-CZ 3.41Å; F231-R369 PolarHBondContact N-O 3.46Å; F231-R369 VanDerWaalsContact N-O 3.14Å; W362-R369 WeakPolarHBondContact O-CA 3.19Å; R363-R369 WeakPolarHBondContact O-CB 3.44Å; C366-R369 WeakPolarHBondContact O-CB 3.21Å; C366-R369 WeakPolarHBondContact O-CD 3.23Å; C366-R369 VanDerWaalsContact O-CG 3.27Å; C366-R369 WeakPolarHBondContact O-CG 3.39Å; C366-R369 PolarHBondContact O-NH1 3.1Å; C366-R369 PolarHBondContact SG-N 2.75Å; I367-R369 PolarHBondContact O-N 3.05Å
370S94.3Very high96.1Very high13 Ų1324.1 Ų24.19%0.09112%0.121CC..BIsolated β-bridgetrans-165.1156.5-171.954.40000111.9D229 I368 F372 L373D229-S370 WeakPolarHBondContact O-CA 3.35Å; D229-S370 WeakPolarHBondContact O-CB 3.49Å; I368-S370 PolarHBondContact O-N 3.3Å; I368-S370 PolarHBondContact O-OG 3.17Å; S370-F372 PolarHBondContact O-N 2.97Å; S370-L373 PolarHBondContact O-N 3.33Å
371V93.6Very high96.1Very high77 Ų7727.2 Ų27.247%0.46714%0.138SC..Hα-helixtrans-60.7-31.4170176.10000110.6D229 L373 G374D229-V371 HydrophobicContact CB-CB 4.36Å; D229-V371 HydrophobicContact CB-CG2 3.87Å; D229-V371 PolarHBondContact O-N 3.43Å; D229-V371 VanDerWaalsContact O-N 3.1Å; V371-L373 VanDerWaalsContact C-N 3.28Å; V371-L373 PolarHBondContact O-N 3.31Å; V371-G374 WeakPolarHBondContact O-CA 3.27Å; V371-G374 PolarHBondContact O-N 3.46Å
372F94.8Very high96.2Very high5 Ų533.7 Ų33.72%0.02216%0.162CC..Hα-helixtrans-51.4-40.4174.9178.8-102.5000114Y328 K331 I332 Y335 S370 G374 K375 I376 F395Y328-F372 AromaticContact CE2-CD2 3.81Å; Y328-F372 HydrophobicContact CE2-CD2 3.81Å; Y328-F372 HydrophobicContact CE2-CE2 4.05Å; K331-F372 HydrophobicContact CG-CE1 4.42Å; I332-F372 HydrophobicContact CG1-CE2 3.65Å; I332-F372 HydrophobicContact CG1-CZ 3.99Å; Y335-F372 HydrophobicContact CD1-CD1 4.35Å; Y335-F372 AromaticContact CD1-CE1 3.74Å; Y335-F372 HydrophobicContact CD1-CE1 3.74Å; Y335-F372 AromaticContact CD2-CE1 3.69Å; Y335-F372 HydrophobicContact CD2-CE1 3.69Å; Y335-F372 HydrophobicContact CD2-CZ 4.43Å; Y335-F372 HydrophobicContact CE1-CD1 4.2Å; Y335-F372 HydrophobicContact CE1-CE1 4.02Å; Y335-F372 HydrophobicContact CE2-CD1 4.37Å; Y335-F372 AromaticContact CE2-CE1 3.98Å; Y335-F372 HydrophobicContact CE2-CE1 3.98Å; Y335-F372 HydrophobicContact CG-CD1 4.48Å; Y335-F372 AromaticContact CG-CE1 3.54Å; Y335-F372 HydrophobicContact CG-CE1 3.54Å; Y335-F372 HydrophobicContact CG-CZ 4.32Å; S370-F372 PolarHBondContact O-N 2.97Å; F372-G374 VanDerWaalsContact C-N 3.25Å; F372-G374 PolarHBondContact O-N 3.48Å; F372-K375 WeakPolarHBondContact O-CB 3.5Å; F372-K375 PolarHBondContact O-N 3Å; F372-I376 HydrophobicContact CD1-CD1 4.04Å; F372-I376 HydrophobicContact CE1-CD1 3.47Å; F372-I376 VanDerWaalsContact CE1-CD1 3.47Å; F372-I376 HydrophobicContact CE1-CG1 4.16Å; F372-I376 HydrophobicContact CZ-CD1 4.08Å; F372-I376 HydrophobicContact CZ-CG1 4.44Å; F372-I376 PolarHBondContact O-N 2.91Å; F372-F395 HydrophobicContact CD2-CE1 4.28Å; F372-F395 HydrophobicContact CE2-CD1 4.24Å; F372-F395 AromaticContact CE2-CE1 3.5Å; F372-F395 HydrophobicContact CE2-CE1 3.5Å; F372-F395 HydrophobicContact CE2-CZ 4.44Å; F372-F395 AromaticContact CZ-CE1 3.82Å; F372-F395 HydrophobicContact CZ-CE1 3.82Å
373L97.1Very high96.1Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-68.3-24.1178-79156.3000113.5Y335 W362 R363 I368 S370 V371 K375 I376 K377Y335-L373 HydrophobicContact CD1-CD2 4.37Å; Y335-L373 HydrophobicContact CE1-CD2 3.84Å; Y335-L373 HydrophobicContact CE1-CG 4.24Å; W362-L373 HydrophobicContact CB-CD1 3.73Å; W362-L373 HydrophobicContact CB-CD2 3.87Å; W362-L373 HydrophobicContact CB-CG 4.42Å; W362-L373 HydrophobicContact CE3-CD2 4.06Å; W362-L373 WeakPolarHBondContact O-CD1 3.44Å; R363-L373 HydrophobicContact CB-CB 4.48Å; R363-L373 HydrophobicContact CG-CB 3.56Å; I368-L373 HydrophobicContact CG1-CD1 4.23Å; I368-L373 VanDerWaalsContact O-CD1 3.3Å; I368-L373 WeakPolarHBondContact O-CD1 3.35Å; S370-L373 PolarHBondContact O-N 3.33Å; V371-L373 VanDerWaalsContact C-N 3.28Å; V371-L373 PolarHBondContact O-N 3.31Å; L373-K375 VanDerWaalsContact C-N 3.32Å; L373-I376 HydrophobicContact CD2-CD1 4.24Å; L373-I376 PolarHBondContact O-N 3.11Å; L373-K377 PolarHBondContact O-N 3.43Å
374G96.1Very high96.2Very high6 Ų637.7 Ų37.76%0.06219%0.193CC..Hα-helixtrans-60.7-43.4167.800000111.4V371 F372 I376 K377 D378V371-G374 WeakPolarHBondContact O-CA 3.27Å; V371-G374 PolarHBondContact O-N 3.46Å; F372-G374 VanDerWaalsContact C-N 3.25Å; F372-G374 PolarHBondContact O-N 3.48Å; G374-I376 VanDerWaalsContact C-N 3.34Å; G374-I376 PolarHBondContact O-N 3.3Å; G374-K377 WeakPolarHBondContact O-CB 3.29Å; G374-K377 PolarHBondContact O-N 3.39Å; G374-D378 PolarHBondContact O-N 2.72Å
375K98.1Very high96.4Very high78 Ų7844 Ų4434%0.33922%0.22SC..Hα-helixtrans-66.8-34.4179-57.1-59.4179.6-171.40113F372 L373 D378 A379 F394 F395F372-K375 WeakPolarHBondContact O-CB 3.5Å; F372-K375 PolarHBondContact O-N 3Å; L373-K375 VanDerWaalsContact C-N 3.32Å; K375-D378 PolarHBondContact O-N 3.4Å; K375-A379 PolarHBondContact O-N 2.6Å; K375-F394 HydrophobicContact CB-CD1 3.95Å; K375-F394 HydrophobicContact CB-CE1 3.65Å; K375-F394 HydrophobicContact CB-CZ 4.17Å; K375-F394 HydrophobicContact CD-CD2 4.5Å; K375-F394 HydrophobicContact CD-CE1 4.29Å; K375-F394 HydrophobicContact CD-CE2 4.1Å; K375-F394 HydrophobicContact CD-CZ 4Å; K375-F394 HydrophobicContact CG-CD1 4.35Å; K375-F394 HydrophobicContact CG-CE1 3.71Å; K375-F394 HydrophobicContact CG-CE2 4.31Å; K375-F394 HydrophobicContact CG-CZ 3.69Å; K375-F395 HydrophobicContact CB-CE1 4.44Å; K375-F395 HydrophobicContact CB-CZ 3.97Å
376I98.5Very high96.7Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-65-45.7172.1-66.6-178.4000110.5Y335 F339 A359 F372 L373 G374 D378 A379 F380 L389 F395Y335-I376 HydrophobicContact CD1-CD1 3.43Å; Y335-I376 VanDerWaalsContact CD1-CD1 3.43Å; Y335-I376 HydrophobicContact CE1-CD1 4.23Å; Y335-I376 HydrophobicContact CG-CD1 3.98Å; F339-I376 HydrophobicContact CE1-CG2 4.09Å; F339-I376 HydrophobicContact CE2-CD1 4.17Å; F339-I376 HydrophobicContact CE2-CG2 3.9Å; F339-I376 HydrophobicContact CZ-CG2 3.58Å; A359-I376 HydrophobicContact CB-CB 4.13Å; A359-I376 HydrophobicContact CB-CG2 3.64Å; F372-I376 HydrophobicContact CD1-CD1 4.04Å; F372-I376 HydrophobicContact CE1-CD1 3.47Å; F372-I376 VanDerWaalsContact CE1-CD1 3.47Å; F372-I376 HydrophobicContact CE1-CG1 4.16Å; F372-I376 HydrophobicContact CZ-CD1 4.08Å; F372-I376 HydrophobicContact CZ-CG1 4.44Å; F372-I376 PolarHBondContact O-N 2.91Å; L373-I376 HydrophobicContact CD2-CD1 4.24Å; L373-I376 PolarHBondContact O-N 3.11Å; G374-I376 VanDerWaalsContact C-N 3.34Å; G374-I376 PolarHBondContact O-N 3.3Å; I376-D378 VanDerWaalsContact C-N 3.34Å; I376-D378 PolarHBondContact O-N 2.89Å; I376-A379 WeakPolarHBondContact O-CB 3.21Å; I376-A379 PolarHBondContact O-N 3.01Å; I376-F380 HydrophobicContact CG2-CD2 3.97Å; I376-F380 HydrophobicContact CG2-CE2 3.95Å; I376-F380 WeakPolarHBondContact O-CD2 3.41Å; I376-F380 PolarHBondContact O-N 2.83Å; I376-L389 HydrophobicContact CD1-CD1 3.98Å; I376-L389 HydrophobicContact CG1-CD1 4.18Å; I376-L389 HydrophobicContact CG1-CD2 4.46Å; I376-L389 HydrophobicContact CG2-CD1 4.26Å; I376-L389 HydrophobicContact CG2-CD2 4.06Å; I376-F395 HydrophobicContact CB-CZ 4.35Å; I376-F395 HydrophobicContact CG1-CE1 4.3Å; I376-F395 HydrophobicContact CG1-CE2 4.1Å; I376-F395 HydrophobicContact CG1-CZ 3.48Å; I376-F395 VanDerWaalsContact CG1-CZ 3.48Å
377K97.7Very high96.7Very high36 Ų3648.9 Ų48.916%0.15724%0.241CC..Hα-helixtrans-57.1-49.9174.8-175.4-168.9-178.4-550110.5A359 L360 L373 G374 A379 F380 D381A359-K377 HydrophobicContact CB-CB 4.08Å; L360-K377 HydrophobicContact CB-CD 4.21Å; L373-K377 PolarHBondContact O-N 3.43Å; G374-K377 WeakPolarHBondContact O-CB 3.29Å; G374-K377 PolarHBondContact O-N 3.39Å; K377-A379 PolarHBondContact O-N 2.95Å; K377-F380 PolarHBondContact O-N 3.24Å; K377-F380 VanDerWaalsContact O-N 3.13Å; K377-D381 IonicContact NZ-OD1 2.83Å; K377-D381 PolarHBondContact NZ-OD1 3.03Å; K377-D381 IonicContact NZ-OD2 2.98Å; K377-D381 PolarHBondContact NZ-OD2 3.41Å; K377-D381 VanDerWaalsContact O-CG 3.28Å; K377-D381 PolarHBondContact O-N 3.05Å
378D98.1Very high96.9Very high57 Ų5747.4 Ų47.431%0.30523%0.233SC..Hα-helixtrans-58.7-35.9-179.4-58.8-21000111.9G374 K375 I376 D381 R382G374-D378 PolarHBondContact O-N 2.72Å; K375-D378 PolarHBondContact O-N 3.4Å; I376-D378 VanDerWaalsContact C-N 3.34Å; I376-D378 PolarHBondContact O-N 2.89Å; D378-D381 PolarHBondContact O-N 3.3Å; D378-R382 WeakPolarHBondContact O-CG 3.38Å; D378-R382 PolarHBondContact O-N 3.05Å; D378-R382 PolarHBondContact O-NH1 3.16Å
379A98.6Very high96.9Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-64.8-45176.400000112.4K375 I376 K377 R382 N383 L386 L389 D392 F395K375-A379 PolarHBondContact O-N 2.6Å; I376-A379 WeakPolarHBondContact O-CB 3.21Å; I376-A379 PolarHBondContact O-N 3.01Å; K377-A379 PolarHBondContact O-N 2.95Å; A379-R382 PolarHBondContact O-N 3.1Å; A379-N383 PolarHBondContact O-N 3.19Å; A379-L386 HydrophobicContact CB-CD2 4.29Å; A379-L389 HydrophobicContact CB-CD2 4.44Å; A379-D392 HydrophobicContact CB-CB 3.95Å; A379-D392 VanDerWaalsContact CB-CG 3.49Å; A379-F395 HydrophobicContact CB-CD2 4.48Å; A379-F395 HydrophobicContact CB-CE2 3.97Å
380F98.2Very high97.1Very high10 Ų1044.8 Ų44.84%0.04422%0.224CC..Hα-helixtrans-75.6-26.1176.2-74.8-68.5000113.4F339 Y355 I376 K377 R382 N383 P384 L386 L389F339-F380 HydrophobicContact CD1-CD2 4.48Å; F339-F380 AromaticContact CD1-CE2 3.4Å; F339-F380 HydrophobicContact CD1-CE2 3.4Å; F339-F380 AromaticContact CD1-CZ 3.65Å; F339-F380 HydrophobicContact CD1-CZ 3.65Å; F339-F380 HydrophobicContact CE1-CD2 4.24Å; F339-F380 AromaticContact CE1-CE2 3.53Å; F339-F380 HydrophobicContact CE1-CE2 3.53Å; F339-F380 HydrophobicContact CE1-CZ 4.22Å; F339-F380 HydrophobicContact CG-CE2 4.19Å; F339-F380 HydrophobicContact CG-CZ 4.37Å; F339-F380 HydrophobicContact CZ-CE2 4.41Å; Y355-F380 HydrophobicContact CD2-CD1 4.12Å; Y355-F380 AromaticContact CD2-CE1 3.79Å; Y355-F380 HydrophobicContact CD2-CE1 3.79Å; Y355-F380 HydrophobicContact CD2-CZ 4.34Å; Y355-F380 HydrophobicContact CG-CD1 4.3Å; Y355-F380 AromaticContact CG-CE1 3.92Å; Y355-F380 HydrophobicContact CG-CE1 3.92Å; Y355-F380 HydrophobicContact CG-CZ 4.04Å; I376-F380 HydrophobicContact CG2-CD2 3.97Å; I376-F380 HydrophobicContact CG2-CE2 3.95Å; I376-F380 WeakPolarHBondContact O-CD2 3.41Å; I376-F380 PolarHBondContact O-N 2.83Å; K377-F380 PolarHBondContact O-N 3.24Å; K377-F380 VanDerWaalsContact O-N 3.13Å; F380-R382 VanDerWaalsContact C-N 3.34Å; F380-N383 CarbonylContact O-C 3.59Å; F380-P384 WeakPolarHBondContact O-CA 3.4Å; F380-P384 WeakPolarHBondContact O-CD 3.36Å; F380-P384 WeakPolarHBondContact O-CG 3.35Å; F380-L386 HydrophobicContact CD1-CB 4.12Å; F380-L386 HydrophobicContact CE1-CB 3.92Å; F380-L386 HydrophobicContact CE1-CD2 4.38Å; F380-L389 HydrophobicContact CD2-CD2 4.33Å; F380-L389 HydrophobicContact CE2-CD2 3.64Å; F380-L389 HydrophobicContact CE2-CG 4.33Å; F380-L389 HydrophobicContact CZ-CD2 4.07Å; F380-L389 HydrophobicContact CZ-CG 4.49Å
381D97.6Very high97.3Very high87 Ų8749 Ų4947%0.46525%0.245SC..Hα-helixtrans-65.7-39.9169.7-69.2-18.1000110.6K377 D378K377-D381 IonicContact NZ-OD1 2.83Å; K377-D381 PolarHBondContact NZ-OD1 3.03Å; K377-D381 IonicContact NZ-OD2 2.98Å; K377-D381 PolarHBondContact NZ-OD2 3.41Å; K377-D381 VanDerWaalsContact O-CG 3.28Å; K377-D381 PolarHBondContact O-N 3.05Å; D378-D381 PolarHBondContact O-N 3.3Å
382R98.3Very high97.5Very high140 Ų14045.9 Ų45.953%0.52823%0.226SC..Hα-helixtrans-67.1-42.7174.4-76.4-173-64.8-83.56.9112.2D378 A379 F380 D392D378-R382 WeakPolarHBondContact O-CG 3.38Å; D378-R382 PolarHBondContact O-N 3.05Å; D378-R382 PolarHBondContact O-NH1 3.16Å; A379-R382 PolarHBondContact O-N 3.1Å; F380-R382 VanDerWaalsContact C-N 3.34Å; R382-D392 IonicContact CZ-OD2 2.83Å; R382-D392 IonicContact NE-OD2 3.84Å; R382-D392 PolarHBondContact NE-OD2 2.81Å; R382-D392 VanDerWaalsContact NH2-CG 3.26Å; R382-D392 IonicContact NH2-OD1 3.07Å; R382-D392 PolarHBondContact NH2-OD1 2.78Å; R382-D392 IonicContact NH2-OD2 3.51Å; R382-D392 PolarHBondContact NH2-OD2 3.16Å
383N98Very high97.7Very high72 Ų7250.8 Ų50.839%0.38525%0.253SS..  trans-143.997-180-177.49000111.2A379 F380 E385 L386A379-N383 PolarHBondContact O-N 3.19Å; F380-N383 CarbonylContact O-C 3.59Å; N383-E385 PolarHBondContact O-N 3.37Å; N383-E385 PolarHBondContact OD1-N 2.89Å; N383-E385 VanDerWaalsContact OD1-N 3.07Å; N383-L386 HydrophobicContact CB-CB 4.34Å; N383-L386 VanDerWaalsContact O-CB 3.25Å; N383-L386 WeakPolarHBondContact O-CB 3.47Å; N383-L386 PolarHBondContact O-N 3.4Å; N383-L386 PolarHBondContact OD1-N 3.39Å
384P96.3Very high97.8Very high81 Ų8154.2 Ų54.253%0.52627%0.268SS..THydrogen-bonded Turntrans-62.5-25.4177.1-24.634.6000113.7F380 L386F380-P384 WeakPolarHBondContact O-CA 3.4Å; F380-P384 WeakPolarHBondContact O-CD 3.36Å; F380-P384 WeakPolarHBondContact O-CG 3.35Å; P384-L386 VanDerWaalsContact C-N 3.29Å; P384-L386 PolarHBondContact O-N 2.95Å
385E95.4Very high97.9Very high141 Ų14154 Ų5466%0.65927%0.265SS*.THydrogen-bonded Turntrans-91.113.2-178.9-59.5-57.813000112.8N383 Q387N383-E385 PolarHBondContact O-N 3.37Å; N383-E385 PolarHBondContact OD1-N 2.89Å; N383-E385 VanDerWaalsContact OD1-N 3.07Å; E385-Q387 PolarHBondContact O-N 3.47Å; E385-Q387 VanDerWaalsContact O-N 3.14Å; E385-Q387 PolarHBondContact O-NE2 2.92Å
386L97.4Very high97.9Very high17 Ų1754.8 Ų54.89%0.08927%0.268CS..  trans-58.1118.2179.2-178.467000110.8A379 F380 N383 P384 N388 L389 L391 D392A379-L386 HydrophobicContact CB-CD2 4.29Å; F380-L386 HydrophobicContact CD1-CB 4.12Å; F380-L386 HydrophobicContact CE1-CB 3.92Å; F380-L386 HydrophobicContact CE1-CD2 4.38Å; N383-L386 HydrophobicContact CB-CB 4.34Å; N383-L386 VanDerWaalsContact O-CB 3.25Å; N383-L386 WeakPolarHBondContact O-CB 3.47Å; N383-L386 PolarHBondContact O-N 3.4Å; N383-L386 PolarHBondContact OD1-N 3.39Å; P384-L386 VanDerWaalsContact C-N 3.29Å; P384-L386 PolarHBondContact O-N 2.95Å; L386-N388 WeakPolarHBondContact CD1-O 3.47Å; L386-N388 WeakPolarHBondContact CG-O 3.4Å; L386-L389 HydrophobicContact CD2-CD2 4.14Å; L386-L391 HydrophobicContact CD1-CB 4.07Å; L386-D392 HydrophobicContact CD2-CB 3.9Å
387Q96.2Very high97.9Very high98 Ų9857 Ų5746%0.45828%0.284SS..SBendtrans-75.1-30.2-176-65.6-55.5-51.100113.2R343 E385R343-Q387 PolarHBondContact NH1-O 2.74Å; E385-Q387 PolarHBondContact O-N 3.47Å; E385-Q387 VanDerWaalsContact O-N 3.14Å; E385-Q387 PolarHBondContact O-NE2 2.92Å
388N98.4Very high98Very high4 Ų455.9 Ų55.92%0.02128%0.281CS..  trans-153.6138.1179-168.7-55.8000109.8M340 L386 L390 L391 Y433M340-N388 PolarHBondContact SD-ND2 3Å; L386-N388 WeakPolarHBondContact CD1-O 3.47Å; L386-N388 WeakPolarHBondContact CG-O 3.4Å; N388-L390 PolarHBondContact O-N 3.23Å; N388-L390 WeakPolarHBondContact OD1-CB 3.28Å; N388-L390 WeakPolarHBondContact OD1-CG 3.13Å; N388-L390 PolarHBondContact OD1-N 3.14Å; N388-L391 HydrophobicContact CB-CD1 4.29Å; N388-L391 HydrophobicContact CB-CG 4.27Å; N388-L391 WeakPolarHBondContact O-CB 3.33Å; N388-L391 PolarHBondContact O-N 2.96Å; N388-Y433 WeakPolarHBondContact CB-OH 3.5Å; N388-Y433 PolarHBondContact ND2-OH 3.15Å
389L98.3Very high98Very high3 Ų353.2 Ų53.22%0.01627%0.267CS..G310 helixtrans-56.8-30.5178-75174.5000113.4A336 F339 I376 A379 F380 L386 L391 D392 F395A336-L389 HydrophobicContact CB-CB 4.12Å; F339-L389 HydrophobicContact CB-CD1 4.21Å; F339-L389 HydrophobicContact CD2-CD1 3.76Å; F339-L389 HydrophobicContact CE2-CD1 4.35Å; F339-L389 HydrophobicContact CG-CD1 4.03Å; I376-L389 HydrophobicContact CD1-CD1 3.98Å; I376-L389 HydrophobicContact CG1-CD1 4.18Å; I376-L389 HydrophobicContact CG1-CD2 4.46Å; I376-L389 HydrophobicContact CG2-CD1 4.26Å; I376-L389 HydrophobicContact CG2-CD2 4.06Å; A379-L389 HydrophobicContact CB-CD2 4.44Å; F380-L389 HydrophobicContact CD2-CD2 4.33Å; F380-L389 HydrophobicContact CE2-CD2 3.64Å; F380-L389 HydrophobicContact CE2-CG 4.33Å; F380-L389 HydrophobicContact CZ-CD2 4.07Å; F380-L389 HydrophobicContact CZ-CG 4.49Å; L386-L389 HydrophobicContact CD2-CD2 4.14Å; L389-L391 PolarHBondContact O-N 3.49Å; L389-D392 PolarHBondContact O-N 3.12Å; L389-F395 HydrophobicContact CB-CD2 4.32Å; L389-F395 HydrophobicContact CD2-CD2 4.24Å; L389-F395 HydrophobicContact CD2-CE2 3.92Å; L389-F395 WeakPolarHBondContact O-CB 3.43Å; L389-F395 WeakPolarHBondContact O-CD2 3.48Å
390L98.5Very high98Very high15 Ų1558.4 Ų58.48%0.07929%0.292CS..G310 helixtrans-66.7-14.3178.6-59.4-179.5000114I332 I333 A336 N388 V399 F429 Y433I332-L390 HydrophobicContact CG2-CD2 3.66Å; I333-L390 HydrophobicContact CD1-CD1 4.02Å; I333-L390 HydrophobicContact CD1-CD2 3.78Å; A336-L390 HydrophobicContact CB-CD1 4.44Å; A336-L390 HydrophobicContact CB-CD2 4.2Å; A336-L390 HydrophobicContact CB-CG 3.91Å; N388-L390 PolarHBondContact O-N 3.23Å; N388-L390 WeakPolarHBondContact OD1-CB 3.28Å; N388-L390 WeakPolarHBondContact OD1-CG 3.13Å; N388-L390 PolarHBondContact OD1-N 3.14Å; L390-V399 HydrophobicContact CD2-CG2 4.32Å; L390-F429 HydrophobicContact CD1-CE1 4.16Å; L390-Y433 HydrophobicContact CD1-CD1 4.06Å; L390-Y433 HydrophobicContact CD1-CE1 4.43Å
391L98.3Very high98Very high101 Ų10163.3 Ų63.353%0.52932%0.318SS..G310 helixtrans-91.5-10.2178.3-58.3177.9000112.9L386 N388 L389L386-L391 HydrophobicContact CD1-CB 4.07Å; N388-L391 HydrophobicContact CB-CD1 4.29Å; N388-L391 HydrophobicContact CB-CG 4.27Å; N388-L391 WeakPolarHBondContact O-CB 3.33Å; N388-L391 PolarHBondContact O-N 2.96Å; L389-L391 PolarHBondContact O-N 3.49Å
392D98.8Very high98.1Very high13 Ų1359.5 Ų59.57%0.0730%0.298CS..SBendtrans-75.9137.9170.7170.2-95.2000110.5A379 R382 L386 L389 F394 F395 K396A379-D392 HydrophobicContact CB-CB 3.95Å; A379-D392 VanDerWaalsContact CB-CG 3.49Å; R382-D392 IonicContact CZ-OD2 2.83Å; R382-D392 IonicContact NE-OD2 3.84Å; R382-D392 PolarHBondContact NE-OD2 2.81Å; R382-D392 VanDerWaalsContact NH2-CG 3.26Å; R382-D392 IonicContact NH2-OD1 3.07Å; R382-D392 PolarHBondContact NH2-OD1 2.78Å; R382-D392 IonicContact NH2-OD2 3.51Å; R382-D392 PolarHBondContact NH2-OD2 3.16Å; L386-D392 HydrophobicContact CD2-CB 3.9Å; L389-D392 PolarHBondContact O-N 3.12Å; D392-F394 VanDerWaalsContact C-N 3.26Å; D392-F394 PolarHBondContact O-N 2.98Å; D392-F394 VanDerWaalsContact OD1-CB 3.29Å; D392-F394 WeakPolarHBondContact OD1-CB 3.49Å; D392-F394 PolarHBondContact OD1-N 3.47Å; D392-F394 VanDerWaalsContact OD1-N 3.09Å; D392-F395 HydrophobicContact CB-CD2 4.11Å; D392-F395 PolarHBondContact O-N 3.49Å; D392-F395 VanDerWaalsContact O-N 3.15Å; D392-K396 WeakPolarHBondContact O-CB 3.4Å; D392-K396 PolarHBondContact O-N 3.49Å
393D98.4Very high98.1Very high107 Ų10755 Ų5557%0.57228%0.283SS*.Hα-helixtrans-60.4-32.5-171.3-77.8-38.5000113.9K396 S397D393-K396 WeakPolarHBondContact OD1-CE 3.49Å; D393-K396 IonicContact OD1-NZ 2.8Å; D393-S397 VanDerWaalsContact O-CB 3.27Å; D393-S397 WeakPolarHBondContact O-CB 3.31Å; D393-S397 PolarHBondContact O-N 3.11Å; D393-S397 PolarHBondContact O-OG 2.72Å
394F98.7Very high98.2Very high73 Ų7356.4 Ų56.432%0.3229%0.291SS..Hα-helixtrans-65.6-50.5177.2174.1-91.5000110.4K375 D392 S397 A398K375-F394 HydrophobicContact CB-CD1 3.95Å; K375-F394 HydrophobicContact CB-CE1 3.65Å; K375-F394 HydrophobicContact CB-CZ 4.17Å; K375-F394 HydrophobicContact CD-CD2 4.5Å; K375-F394 HydrophobicContact CD-CE1 4.29Å; K375-F394 HydrophobicContact CD-CE2 4.1Å; K375-F394 HydrophobicContact CD-CZ 4Å; K375-F394 HydrophobicContact CG-CD1 4.35Å; K375-F394 HydrophobicContact CG-CE1 3.71Å; K375-F394 HydrophobicContact CG-CE2 4.31Å; K375-F394 HydrophobicContact CG-CZ 3.69Å; D392-F394 VanDerWaalsContact C-N 3.26Å; D392-F394 PolarHBondContact O-N 2.98Å; D392-F394 VanDerWaalsContact OD1-CB 3.29Å; D392-F394 WeakPolarHBondContact OD1-CB 3.49Å; D392-F394 PolarHBondContact OD1-N 3.47Å; D392-F394 VanDerWaalsContact OD1-N 3.09Å; F394-S397 PolarHBondContact O-N 3.14Å; F394-A398 VanDerWaalsContact O-CB 3.31Å; F394-A398 WeakPolarHBondContact O-CB 3.45Å; F394-A398 PolarHBondContact O-N 3.41Å
395F98.6Very high98.3Very high0 Ų052.6 Ų52.60%027%0.266CS..Hα-helixtrans-71.4-38.4-178.6-66.2-64000112.6I332 F372 K375 I376 A379 L389 D392 S397 A398 V399I332-F395 HydrophobicContact CD1-CD1 4.27Å; I332-F395 HydrophobicContact CG1-CD1 4.03Å; I332-F395 HydrophobicContact CG2-CB 4.17Å; I332-F395 HydrophobicContact CG2-CD1 3.94Å; I332-F395 HydrophobicContact CG2-CG 4.35Å; F372-F395 HydrophobicContact CD2-CE1 4.28Å; F372-F395 HydrophobicContact CE2-CD1 4.24Å; F372-F395 AromaticContact CE2-CE1 3.5Å; F372-F395 HydrophobicContact CE2-CE1 3.5Å; F372-F395 HydrophobicContact CE2-CZ 4.44Å; F372-F395 AromaticContact CZ-CE1 3.82Å; F372-F395 HydrophobicContact CZ-CE1 3.82Å; K375-F395 HydrophobicContact CB-CE1 4.44Å; K375-F395 HydrophobicContact CB-CZ 3.97Å; I376-F395 HydrophobicContact CB-CZ 4.35Å; I376-F395 HydrophobicContact CG1-CE1 4.3Å; I376-F395 HydrophobicContact CG1-CE2 4.1Å; I376-F395 HydrophobicContact CG1-CZ 3.48Å; I376-F395 VanDerWaalsContact CG1-CZ 3.48Å; A379-F395 HydrophobicContact CB-CD2 4.48Å; A379-F395 HydrophobicContact CB-CE2 3.97Å; L389-F395 HydrophobicContact CB-CD2 4.32Å; L389-F395 HydrophobicContact CD2-CD2 4.24Å; L389-F395 HydrophobicContact CD2-CE2 3.92Å; L389-F395 WeakPolarHBondContact O-CB 3.43Å; L389-F395 WeakPolarHBondContact O-CD2 3.48Å; D392-F395 HydrophobicContact CB-CD2 4.11Å; D392-F395 PolarHBondContact O-N 3.49Å; D392-F395 VanDerWaalsContact O-N 3.15Å; F395-S397 PolarHBondContact O-N 3.26Å; F395-A398 PolarHBondContact O-N 2.81Å; F395-V399 WeakPolarHBondContact O-CG2 3.44Å; F395-V399 PolarHBondContact O-N 3.41Å
396K98.6Very high98.4Very high95 Ų9545.9 Ų45.941%0.41324%0.235SC..Hα-helixtrans-53.9-53.2172.1-179.1174.564.9770110.8D392 D393 A398 V399 E400D392-K396 WeakPolarHBondContact O-CB 3.4Å; D392-K396 PolarHBondContact O-N 3.49Å; D393-K396 WeakPolarHBondContact OD1-CE 3.49Å; D393-K396 IonicContact OD1-NZ 2.8Å; K396-A398 PolarHBondContact O-N 3.09Å; K396-V399 PolarHBondContact O-N 2.94Å; K396-E400 WeakPolarHBondContact O-CB 3.49Å; K396-E400 PolarHBondContact O-N 3.46Å
397S98.6Very high98.5Very high47 Ų4748.7 Ų48.733%0.32924%0.244SC..Hα-helixtrans-65.4-39.8-179.7-53.10000112D393 F394 F395 E400 N401D393-S397 VanDerWaalsContact O-CB 3.27Å; D393-S397 WeakPolarHBondContact O-CB 3.31Å; D393-S397 PolarHBondContact O-N 3.11Å; D393-S397 PolarHBondContact O-OG 2.72Å; F394-S397 PolarHBondContact O-N 3.14Å; F395-S397 PolarHBondContact O-N 3.26Å; S397-E400 PolarHBondContact O-N 2.95Å; S397-N401 WeakPolarHBondContact O-CB 3.47Å; S397-N401 PolarHBondContact O-N 2.69Å; S397-N401 PolarHBondContact O-ND2 3.16Å; S397-N401 VanDerWaalsContact O-ND2 3.13Å
398A98.7Very high98.6Very high12 Ų1249.5 Ų49.510%0.09924%0.243CC..Hα-helixtrans-60.9-45.6177.500000112.2Y328 I332 F394 F395 K396 C402Y328-A398 HydrophobicContact CE1-CB 3.86Å; I332-A398 HydrophobicContact CD1-CB 3.74Å; F394-A398 VanDerWaalsContact O-CB 3.31Å; F394-A398 WeakPolarHBondContact O-CB 3.45Å; F394-A398 PolarHBondContact O-N 3.41Å; F395-A398 PolarHBondContact O-N 2.81Å; K396-A398 PolarHBondContact O-N 3.09Å; A398-C402 WeakPolarHBondContact O-CB 3.31Å; A398-C402 PolarHBondContact O-N 3.39Å; A398-C402 VanDerWaalsContact O-N 3.15Å; A398-C402 PolarHBondContact O-SG 3.4Å
399V98.7Very high98.7Very high2 Ų249.3 Ų49.31%0.01224%0.242CC..Hα-helixtrans-67.9-43.4177.61750000110.9I332 L390 F395 K396 N401 C402 Q403 W406 Y430I332-V399 HydrophobicContact CB-CG2 4.17Å; I332-V399 HydrophobicContact CD1-CG2 3.89Å; I332-V399 HydrophobicContact CG2-CG2 3.8Å; L390-V399 HydrophobicContact CD2-CG2 4.32Å; F395-V399 WeakPolarHBondContact O-CG2 3.44Å; F395-V399 PolarHBondContact O-N 3.41Å; K396-V399 PolarHBondContact O-N 2.94Å; V399-N401 VanDerWaalsContact C-N 3.32Å; V399-N401 PolarHBondContact O-N 3.33Å; V399-C402 CarbonylContact O-C 3.6Å; V399-C402 PolarHBondContact O-N 2.92Å; V399-Q403 PolarHBondContact O-N 3.44Å; V399-W406 HydrophobicContact CG1-CZ3 4.35Å; V399-Y430 HydrophobicContact CG1-CD2 3.93Å; V399-Y430 HydrophobicContact CG1-CE1 4.2Å; V399-Y430 HydrophobicContact CG1-CE2 3.51Å; V399-Y430 HydrophobicContact CG1-CG 4.44Å
400E98.6Very high98.7Very high109 Ų10950 Ų5051%0.50925%0.246SC..Hα-helixtrans-56.5-45.8176.3-178.3172-171.600111.7K396 S397 C402 Q403K396-E400 WeakPolarHBondContact O-CB 3.49Å; K396-E400 PolarHBondContact O-N 3.46Å; S397-E400 PolarHBondContact O-N 2.95Å; E400-C402 PolarHBondContact O-N 3.39Å; E400-Q403 WeakPolarHBondContact O-CG 3.26Å; E400-Q403 PolarHBondContact O-NE2 3.04Å
401N98.7Very high98.7Very high113 Ų11352.4 Ų52.460%0.60426%0.264SS*.Hα-helixtrans-68-21.3177-70.7-27.6000113.3K325 S397 V399K325-N401 WeakPolarHBondContact CE-O 3.46Å; K325-N401 PolarHBondContact NZ-O 3.03Å; S397-N401 WeakPolarHBondContact O-CB 3.47Å; S397-N401 PolarHBondContact O-N 2.69Å; S397-N401 PolarHBondContact O-ND2 3.16Å; S397-N401 VanDerWaalsContact O-ND2 3.13Å; V399-N401 VanDerWaalsContact C-N 3.32Å; V399-N401 PolarHBondContact O-N 3.33Å
402C98.8Very high98.7Very high6 Ų649 Ų494%0.04125%0.247CC..Hα-helixtrans-96.7-22.4-177.9-690000114.6K325 A329 A398 V399 E400 D404 S405 W406K325-C402 HydrophobicContact CB-CB 4.12Å; A329-C402 HydrophobicContact CB-CB 3.82Å; A398-C402 WeakPolarHBondContact O-CB 3.31Å; A398-C402 PolarHBondContact O-N 3.39Å; A398-C402 VanDerWaalsContact O-N 3.15Å; A398-C402 PolarHBondContact O-SG 3.4Å; V399-C402 CarbonylContact O-C 3.6Å; V399-C402 PolarHBondContact O-N 2.92Å; E400-C402 PolarHBondContact O-N 3.39Å; C402-D404 VanDerWaalsContact C-N 3.32Å; C402-D404 PolarHBondContact O-N 3.37Å; C402-S405 WeakPolarHBondContact O-CB 3.41Å; C402-S405 PolarHBondContact O-N 3.32Å; C402-W406 WeakPolarHBondContact O-CB 3.17Å; C402-W406 PolarHBondContact O-N 2.85Å
403Q98.6Very high98.7Very high45 Ų4548.3 Ų48.321%0.2124%0.244CC..Hα-helixtrans-60.5-35.3-164.174.2-173.7-57.700114.5V399 E400 W406 R407V399-Q403 PolarHBondContact O-N 3.44Å; E400-Q403 WeakPolarHBondContact O-CG 3.26Å; E400-Q403 PolarHBondContact O-NE2 3.04Å; Q403-W406 PolarHBondContact O-N 2.9Å; Q403-R407 WeakPolarHBondContact O-CB 3.44Å; Q403-R407 WeakPolarHBondContact O-CG 3.48Å; Q403-R407 PolarHBondContact O-N 3.22Å
404D98.8Very high98.7Very high102 Ų10247.3 Ų47.355%0.54524%0.241SC..Hα-helixtrans-68-47.5-179.9-64.9-22.1000111.4C402 W406 R407 R408C402-D404 VanDerWaalsContact C-N 3.32Å; C402-D404 PolarHBondContact O-N 3.37Å; D404-W406 VanDerWaalsContact C-N 3.29Å; D404-W406 PolarHBondContact O-N 2.86Å; D404-R407 PolarHBondContact O-N 3.49Å; D404-R408 WeakPolarHBondContact O-CG 3.44Å; D404-R408 PolarHBondContact O-N 3.46Å
405S98.9Very high98.7Very high2 Ų249.4 Ų49.41%0.01425%0.252CS..Hα-helixtrans-58.8-43.3173.2-74.50000111.5D322 K325 C402 R408 A409D322-S405 WeakPolarHBondContact OD1-CA 3.45Å; D322-S405 WeakPolarHBondContact OD1-CB 3.34Å; D322-S405 PolarHBondContact OD1-OG 3.31Å; K325-S405 WeakPolarHBondContact CD-OG 3.39Å; K325-S405 WeakPolarHBondContact CE-OG 3.49Å; K325-S405 PolarHBondContact NZ-OG 3.45Å; C402-S405 WeakPolarHBondContact O-CB 3.41Å; C402-S405 PolarHBondContact O-N 3.32Å; S405-R408 PolarHBondContact O-N 2.91Å; S405-R408 PolarHBondContact OG-NH2 3.48Å; S405-R408 VanDerWaalsContact OG-NH2 3.16Å; S405-A409 WeakPolarHBondContact O-CB 3.39Å; S405-A409 PolarHBondContact O-N 3.03Å
406W98.9Very high98.7Very high0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-62.3-47179.2-173.115.9000112.1A326 A329 S330 I333 V399 C402 Q403 D404 A409 V410 A426 L427 Y430A326-W406 HydrophobicContact CB-CB 4.38Å; A326-W406 HydrophobicContact CB-CG 4.31Å; A329-W406 HydrophobicContact CB-CD2 3.72Å; A329-W406 HydrophobicContact CB-CE3 3.56Å; A329-W406 HydrophobicContact CB-CG 4.21Å; A329-W406 HydrophobicContact CB-CH2 4.45Å; A329-W406 HydrophobicContact CB-CZ3 3.97Å; S330-W406 PolarHBondContact OG-NE1 3.04Å; S330-W406 VanDerWaalsContact OG-NE1 3.1Å; I333-W406 HydrophobicContact CD1-CH2 4.26Å; I333-W406 HydrophobicContact CG1-CH2 3.63Å; I333-W406 HydrophobicContact CG1-CZ2 4.32Å; I333-W406 HydrophobicContact CG1-CZ3 4.46Å; V399-W406 HydrophobicContact CG1-CZ3 4.35Å; C402-W406 WeakPolarHBondContact O-CB 3.17Å; C402-W406 PolarHBondContact O-N 2.85Å; Q403-W406 PolarHBondContact O-N 2.9Å; D404-W406 VanDerWaalsContact C-N 3.29Å; D404-W406 PolarHBondContact O-N 2.86Å; W406-A409 PolarHBondContact O-N 2.97Å; W406-V410 WeakPolarHBondContact O-CG2 3.4Å; W406-V410 PolarHBondContact O-N 2.93Å; W406-A426 HydrophobicContact CH2-CB 4.22Å; W406-A426 WeakPolarHBondContact CH2-O 3.41Å; W406-A426 VanDerWaalsContact CZ2-C 3.42Å; W406-A426 HydrophobicContact CZ2-CB 3.62Å; W406-L427 HydrophobicContact CD2-CB 4.46Å; W406-L427 HydrophobicContact CD2-CD1 3.94Å; W406-L427 HydrophobicContact CE3-CD1 3.81Å; W406-L427 VanDerWaalsContact CH2-CA 3.49Å; W406-L427 HydrophobicContact CH2-CB 4.14Å; W406-L427 HydrophobicContact CH2-CD1 4.16Å; W406-L427 HydrophobicContact CZ2-CB 3.69Å; W406-L427 HydrophobicContact CZ2-CD1 4.31Å; W406-L427 HydrophobicContact CZ3-CD1 3.9Å; W406-Y430 HydrophobicContact CH2-CG 4.43Å; W406-Y430 HydrophobicContact CZ3-CD1 4.03Å; W406-Y430 HydrophobicContact CZ3-CG 4.04Å
407R98.9Very high98.7Very high76 Ų7647.9 Ų47.929%0.28726%0.262SS..Hα-helixtrans-63.6-39.8175.7-70.6173.3-166.7-66.9-3111.8Q403 D404 S411 L427 D431Q403-R407 WeakPolarHBondContact O-CB 3.44Å; Q403-R407 WeakPolarHBondContact O-CG 3.48Å; Q403-R407 PolarHBondContact O-N 3.22Å; D404-R407 PolarHBondContact O-N 3.49Å; R407-S411 WeakPolarHBondContact O-CB 3.25Å; R407-S411 PolarHBondContact O-N 3.15Å; R407-L427 HydrophobicContact CG-CD1 4.24Å; R407-L427 HydrophobicContact CG-CD2 4.13Å; R407-D431 IonicContact CZ-OD1 2.83Å; R407-D431 IonicContact CZ-OD2 3.8Å; R407-D431 IonicContact NH1-OD1 2.68Å; R407-D431 IonicContact NH1-OD2 3.31Å; R407-D431 PolarHBondContact NH1-OD2 2.83Å; R407-D431 IonicContact NH2-OD1 2.95Å; R407-D431 PolarHBondContact NH2-OD1 3.39Å; R407-D431 IonicContact NH2-OD2 3.63Å; R407-D431 PolarHBondContact NH2-OD2 2.99Å
408R98.9Very high98.7Very high115 Ų11546.6 Ų46.643%0.43425%0.251SS..Hα-helixtrans-62.5-48.5174.5-76.2-168.3-60.7-87.62.2112D322 D404 S405 V410 S411 T412D322-R408 IonicContact OD1-CZ 3.14Å; D322-R408 IonicContact OD1-NE 3.79Å; D322-R408 IonicContact OD1-NH2 3.88Å; D322-R408 PolarHBondContact OD1-NH2 2.94Å; D322-R408 IonicContact OD2-CZ 2.69Å; D322-R408 IonicContact OD2-NE 2.68Å; D322-R408 PolarHBondContact OD2-NE 3.35Å; D322-R408 IonicContact OD2-NH2 2.69Å; D404-R408 WeakPolarHBondContact O-CG 3.44Å; D404-R408 PolarHBondContact O-N 3.46Å; S405-R408 PolarHBondContact O-N 2.91Å; S405-R408 PolarHBondContact OG-NH2 3.48Å; S405-R408 VanDerWaalsContact OG-NH2 3.16Å; R408-V410 PolarHBondContact O-N 3.44Å; R408-S411 PolarHBondContact O-N 3Å; R408-T412 WeakPolarHBondContact O-CB 3.36Å; R408-T412 PolarHBondContact O-N 3.43Å; R408-T412 PolarHBondContact O-OG1 2.8Å
409A98.9Very high98.7Very high0 Ų049.7 Ų49.70%027%0.27CS..Hα-helixtrans-58.7-47178.400000111.8A326 S405 W406 G413A326-A409 HydrophobicContact CB-CB 3.67Å; S405-A409 WeakPolarHBondContact O-CB 3.39Å; S405-A409 PolarHBondContact O-N 3.03Å; W406-A409 PolarHBondContact O-N 2.97Å; A409-G413 PolarHBondContact O-N 3.39Å
410V98.9Very high98.7Very high16 Ų1650 Ų5010%0.09727%0.272CS..Hα-helixtrans-63.8-47.3176.9172.20000111.3W406 R408 T412 G413 V414 M420 F423 T424 L427W406-V410 WeakPolarHBondContact O-CG2 3.4Å; W406-V410 PolarHBondContact O-N 2.93Å; R408-V410 PolarHBondContact O-N 3.44Å; V410-T412 PolarHBondContact O-N 3.37Å; V410-G413 PolarHBondContact O-N 2.96Å; V410-V414 HydrophobicContact CG1-CG2 4.41Å; V410-V414 WeakPolarHBondContact O-CB 3.37Å; V410-V414 VanDerWaalsContact O-CG2 3.25Å; V410-V414 WeakPolarHBondContact O-CG2 3.46Å; V410-V414 PolarHBondContact O-N 2.95Å; V410-M420 VanDerWaalsContact O-CE 3.3Å; V410-M420 WeakPolarHBondContact O-CE 3.34Å; V410-F423 HydrophobicContact CG2-CB 3.97Å; V410-T424 HydrophobicContact CG1-CG2 3.9Å; V410-L427 HydrophobicContact CB-CD2 4.28Å; V410-L427 HydrophobicContact CG1-CD2 4.28Å; V410-L427 HydrophobicContact CG2-CD2 4.22Å
411S98.8Very high98.7Very high67 Ų6746.2 Ų46.247%0.46926%0.256SS..Hα-helixtrans-60-47.5179-176.90000111.6R407 R408 V414 Q415R407-S411 WeakPolarHBondContact O-CB 3.25Å; R407-S411 PolarHBondContact O-N 3.15Å; R408-S411 PolarHBondContact O-N 3Å; S411-V414 PolarHBondContact O-N 2.95Å; S411-Q415 WeakPolarHBondContact O-CG 3.28Å; S411-Q415 PolarHBondContact O-N 3.42Å
412T98.8Very high98.7Very high28 Ų2840.8 Ų40.817%0.17223%0.228CC..Hα-helixtrans-62.6-46.6178.6-63.10000111.6V208 F310 F312 F319 R408 V410 V414 Q415 A416V208-T412 HydrophobicContact CG1-CG2 3.89Å; F310-T412 HydrophobicContact CE1-CG2 4.26Å; F310-T412 HydrophobicContact CZ-CG2 3.85Å; F312-T412 HydrophobicContact CD2-CG2 4.36Å; F319-T412 HydrophobicContact CE1-CG2 4.11Å; F319-T412 HydrophobicContact CE2-CG2 3.7Å; F319-T412 HydrophobicContact CZ-CG2 3.39Å; R408-T412 WeakPolarHBondContact O-CB 3.36Å; R408-T412 PolarHBondContact O-N 3.43Å; R408-T412 PolarHBondContact O-OG1 2.8Å; V410-T412 PolarHBondContact O-N 3.37Å; T412-V414 VanDerWaalsContact C-N 3.29Å; T412-V414 PolarHBondContact O-N 3.35Å; T412-Q415 PolarHBondContact O-N 3.32Å; T412-A416 VanDerWaalsContact O-CB 3.29Å; T412-A416 WeakPolarHBondContact O-CB 3.47Å; T412-A416 PolarHBondContact O-N 3.26Å
413G98.6Very high98.7Very high0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-62.9-35.217800000112.7A409 V410 A416 G417 I418 M420A409-G413 PolarHBondContact O-N 3.39Å; V410-G413 PolarHBondContact O-N 2.96Å; G413-A416 PolarHBondContact O-N 3.48Å; G413-G417 PolarHBondContact O-N 3.09Å; G413-I418 PolarHBondContact O-N 2.58Å; G413-M420 VanDerWaalsContact C-CE 3.47Å; G413-M420 VanDerWaalsContact CA-CE 3.43Å
414V98.6Very high98.7Very high85 Ų8540.6 Ų40.652%0.51523%0.229SC..Hα-helixtrans-63.1-49.2172.71680000111.1V410 S411 T412 A416 G417 M420V410-V414 HydrophobicContact CG1-CG2 4.41Å; V410-V414 WeakPolarHBondContact O-CB 3.37Å; V410-V414 VanDerWaalsContact O-CG2 3.25Å; V410-V414 WeakPolarHBondContact O-CG2 3.46Å; V410-V414 PolarHBondContact O-N 2.95Å; S411-V414 PolarHBondContact O-N 2.95Å; T412-V414 VanDerWaalsContact C-N 3.29Å; T412-V414 PolarHBondContact O-N 3.35Å; V414-A416 VanDerWaalsContact C-N 3.26Å; V414-A416 PolarHBondContact O-N 2.97Å; V414-G417 PolarHBondContact O-N 3.28Å; V414-G417 VanDerWaalsContact O-N 3.13Å; V414-M420 HydrophobicContact CG2-CE 4.18Å
415Q98.2Very high98.7Very high117 Ų11736.8 Ų36.855%0.54721%0.21SC..Hα-helixtrans-63.1-33.4177.9-65.1-57-45.700112.4P307 F310 S411 T412 G417P307-Q415 WeakPolarHBondContact CG-O 3.3Å; F310-Q415 HydrophobicContact CD2-CB 3.96Å; F310-Q415 HydrophobicContact CE2-CB 3.69Å; S411-Q415 WeakPolarHBondContact O-CG 3.28Å; S411-Q415 PolarHBondContact O-N 3.42Å; T412-Q415 PolarHBondContact O-N 3.32Å; Q415-G417 VanDerWaalsContact C-N 3.33Å
416A98.3Very high98.7Very high19 Ų1936.7 Ų36.716%0.15721%0.209CC..Hα-helixtrans-79.8-11177.100000114.1V208 F310 T412 G413 V414 I418V208-A416 HydrophobicContact CG2-CB 3.98Å; F310-A416 HydrophobicContact CB-CB 4.31Å; F310-A416 HydrophobicContact CD1-CB 3.53Å; F310-A416 HydrophobicContact CD2-CB 4.23Å; F310-A416 HydrophobicContact CE1-CB 3.86Å; F310-A416 HydrophobicContact CG-CB 3.75Å; F310-A416 HydrophobicContact CZ-CB 4.36Å; T412-A416 VanDerWaalsContact O-CB 3.29Å; T412-A416 WeakPolarHBondContact O-CB 3.47Å; T412-A416 PolarHBondContact O-N 3.26Å; G413-A416 PolarHBondContact O-N 3.48Å; V414-A416 VanDerWaalsContact C-N 3.26Å; V414-A416 PolarHBondContact O-N 2.97Å; A416-I418 HydrophobicContact CB-CG1 3.99Å
417G98.3Very high98.7Very high45 Ų4537.5 Ų37.546%0.46421%0.213SC..THydrogen-bonded Turntrans73.626-177.300000114.2G413 V414 Q415G413-G417 PolarHBondContact O-N 3.09Å; V414-G417 PolarHBondContact O-N 3.28Å; V414-G417 VanDerWaalsContact O-N 3.13Å; Q415-G417 VanDerWaalsContact C-N 3.33Å
418I98.6Very high98.7Very high20 Ų2037.7 Ų37.710%0.10323%0.226CC..  trans-87.5123.6177.6-55.5-55.3000109.6H203 L204 D207 V208 G413 A416 M420H203-I418 HydrophobicContact CB-CG2 4.08Å; L204-I418 HydrophobicContact CD2-CB 4.08Å; L204-I418 HydrophobicContact CD2-CG1 4.3Å; L204-I418 HydrophobicContact CD2-CG2 3.94Å; L204-I418 HydrophobicContact CG-CG2 4.36Å; D207-I418 HydrophobicContact CB-CD1 3.64Å; V208-I418 HydrophobicContact CG2-CG1 3.89Å; G413-I418 PolarHBondContact O-N 2.58Å; A416-I418 HydrophobicContact CB-CG1 3.99Å; I418-M420 HydrophobicContact CG2-CG 4.39Å; I418-M420 PolarHBondContact O-N 2.79Å
419P98.8Very high98.7Very high77 Ų7733.2 Ų33.250%0.521%0.21SC..  trans-70.2123179.228.4-33.9000110.7
420M98.9Very high98.7Very high8 Ų835 Ų354%0.03922%0.217CC..  trans-132.760.1179.8-58.3171.3-66.900111.7E200 L204 V410 G413 V414 I418 C422 F423 T424E200-M420 VanDerWaalsContact OE2-C 3.24Å; E200-M420 VanDerWaalsContact OE2-CA 3.27Å; E200-M420 WeakPolarHBondContact OE2-CA 3.15Å; L204-M420 HydrophobicContact CD1-SD 3.83Å; L204-M420 HydrophobicContact CD2-SD 3.84Å; L204-M420 HydrophobicContact CG-SD 4.18Å; V410-M420 VanDerWaalsContact O-CE 3.3Å; V410-M420 WeakPolarHBondContact O-CE 3.34Å; G413-M420 VanDerWaalsContact C-CE 3.47Å; G413-M420 VanDerWaalsContact CA-CE 3.43Å; V414-M420 HydrophobicContact CG2-CE 4.18Å; I418-M420 HydrophobicContact CG2-CG 4.39Å; I418-M420 PolarHBondContact O-N 2.79Å; M420-C422 VanDerWaalsContact C-N 3.27Å; M420-C422 PolarHBondContact O-N 3.24Å; M420-F423 HydrophobicContact CB-CB 4.13Å; M420-F423 HydrophobicContact CB-CD2 4.43Å; M420-F423 HydrophobicContact CG-CD2 4.41Å; M420-F423 PolarHBondContact O-N 3.42Å; M420-F423 HydrophobicContact SD-CD2 4.14Å; M420-T424 HydrophobicContact CB-CG2 4.36Å; M420-T424 WeakPolarHBondContact O-CB 3.43Å; M420-T424 VanDerWaalsContact O-CG2 3.28Å; M420-T424 WeakPolarHBondContact O-CG2 3.41Å; M420-T424 PolarHBondContact O-N 3.33Å; M420-T424 PolarHBondContact O-OG1 2.94Å
421P98.9Very high98.7Very high29 Ų2935.9 Ų35.919%0.18822%0.221CC..Hα-helixtrans-59.2-36.6-173.625.9-35.9000112.7E200 E283 A287 T424 T425E200-P421 WeakPolarHBondContact OE1-CD 3.27Å; E200-P421 WeakPolarHBondContact OE1-CG 3.37Å; E283-P421 HydrophobicContact CB-CB 4.16Å; E283-P421 HydrophobicContact CG-CB 4.42Å; A287-P421 HydrophobicContact CB-CG 4.35Å; P421-T424 PolarHBondContact O-OG1 3.43Å; P421-T425 WeakPolarHBondContact O-CB 3.3Å; P421-T425 VanDerWaalsContact O-CG2 3.23Å; P421-T425 WeakPolarHBondContact O-CG2 3.38Å; P421-T425 PolarHBondContact O-N 3.38Å; P421-T425 VanDerWaalsContact O-N 3.12Å
422C98.9Very high98.7Very high0 Ų033.9 Ų33.90%021%0.211CC..Hα-helixtrans-79.2-40.5179.8-68.90000113.4Q196 L197 E200 L280 M420 A426Q196-C422 HydrophobicContact CG-CB 4.18Å; Q196-C422 WeakPolarHBondContact CG-SG 3.35Å; L197-C422 HydrophobicContact CD2-CB 3.49Å; L197-C422 VanDerWaalsContact CD2-CB 3.49Å; L197-C422 HydrophobicContact CG-CB 4.12Å; E200-C422 VanDerWaalsContact OE1-CB 3.27Å; E200-C422 WeakPolarHBondContact OE1-CB 3.21Å; E200-C422 PolarHBondContact OE1-N 3.38Å; E200-C422 PolarHBondContact OE2-N 2.99Å; L280-C422 HydrophobicContact CD1-CB 4.25Å; L280-C422 HydrophobicContact CD2-CB 4.19Å; L280-C422 HydrophobicContact CG-CB 3.88Å; M420-C422 VanDerWaalsContact C-N 3.27Å; M420-C422 PolarHBondContact O-N 3.24Å; C422-A426 VanDerWaalsContact O-CB 3.26Å; C422-A426 WeakPolarHBondContact O-CB 3.21Å; C422-A426 PolarHBondContact O-N 3.21Å; C422-A426 VanDerWaalsContact O-N 3.09Å
423F98.9Very high98.7Very high0 Ų037.2 Ų37.20%022%0.221CC..Hα-helixtrans-64.2-42.2174.3-68.4-11.2000111.9L197 E200 A201 L204 A326 L327 S330 V410 M420 L427L197-F423 HydrophobicContact CB-CE1 4.19Å; L197-F423 HydrophobicContact CD2-CD1 3.4Å; L197-F423 HydrophobicContact CD2-CE1 3.54Å; L197-F423 HydrophobicContact CG-CE1 4.49Å; E200-F423 HydrophobicContact CB-CD2 4.31Å; E200-F423 HydrophobicContact CB-CE1 4.39Å; E200-F423 HydrophobicContact CB-CE2 4.09Å; E200-F423 HydrophobicContact CB-CZ 4.13Å; E200-F423 WeakPolarHBondContact OE2-CG 3.48Å; E200-F423 PolarHBondContact OE2-N 2.95Å; A201-F423 HydrophobicContact CB-CZ 4.28Å; L204-F423 HydrophobicContact CD1-CD2 4.2Å; L204-F423 HydrophobicContact CD1-CE2 3.81Å; A326-F423 HydrophobicContact CB-CD2 4.47Å; A326-F423 HydrophobicContact CB-CE2 4.27Å; L327-F423 HydrophobicContact CB-CE1 4.23Å; L327-F423 HydrophobicContact CB-CZ 4.08Å; L327-F423 HydrophobicContact CD1-CE1 4.37Å; S330-F423 WeakPolarHBondContact OG-CD1 3.15Å; V410-F423 HydrophobicContact CG2-CB 3.97Å; M420-F423 HydrophobicContact CB-CB 4.13Å; M420-F423 HydrophobicContact CB-CD2 4.43Å; M420-F423 HydrophobicContact CG-CD2 4.41Å; M420-F423 PolarHBondContact O-N 3.42Å; M420-F423 HydrophobicContact SD-CD2 4.14Å; F423-L427 PolarHBondContact O-N 3.31Å; F423-L427 VanDerWaalsContact O-N 3.1Å
424T98.9Very high98.7Very high47 Ų4743.3 Ų43.329%0.28824%0.244SC..Hα-helixtrans-68.8-44.5-178.253.10000112.1V410 M420 P421 A426 L427 S428V410-T424 HydrophobicContact CG1-CG2 3.9Å; M420-T424 HydrophobicContact CB-CG2 4.36Å; M420-T424 WeakPolarHBondContact O-CB 3.43Å; M420-T424 VanDerWaalsContact O-CG2 3.28Å; M420-T424 WeakPolarHBondContact O-CG2 3.41Å; M420-T424 PolarHBondContact O-N 3.33Å; M420-T424 PolarHBondContact O-OG1 2.94Å; P421-T424 PolarHBondContact O-OG1 3.43Å; T424-A426 VanDerWaalsContact C-N 3.35Å; T424-A426 PolarHBondContact O-N 3.19Å; T424-L427 PolarHBondContact O-N 3.35Å; T424-S428 WeakPolarHBondContact O-CB 3.3Å; T424-S428 PolarHBondContact O-N 2.88Å; T424-S428 PolarHBondContact O-OG 2.84Å
425T98.9Very high98.7Very high21 Ų2143.7 Ų43.713%0.12924%0.24CC..Hα-helixtrans-68.3-35.3178.6-162.20000112T279 L280 E283 P421 S428 F429T279-T425 WeakPolarHBondContact CB-OG1 3.49Å; T279-T425 PolarHBondContact OG1-OG1 3.4Å; L280-T425 HydrophobicContact CB-CG2 3.99Å; L280-T425 HydrophobicContact CG-CG2 4.35Å; E283-T425 HydrophobicContact CB-CG2 4.18Å; E283-T425 HydrophobicContact CG-CG2 3.83Å; P421-T425 WeakPolarHBondContact O-CB 3.3Å; P421-T425 VanDerWaalsContact O-CG2 3.23Å; P421-T425 WeakPolarHBondContact O-CG2 3.38Å; P421-T425 PolarHBondContact O-N 3.38Å; P421-T425 VanDerWaalsContact O-N 3.12Å; T425-S428 PolarHBondContact O-N 3.32Å; T425-F429 WeakPolarHBondContact O-CB 3.28Å; T425-F429 PolarHBondContact O-N 3.23Å
426A98.9Very high98.7Very high0 Ų047.3 Ų47.30%026%0.257CS..Hα-helixtrans-64.9-42.8175.300000111.8L280 I333 W406 C422 T424 F429 Y430L280-A426 HydrophobicContact CD1-CB 3.83Å; I333-A426 HydrophobicContact CB-CB 3.84Å; I333-A426 HydrophobicContact CG1-CB 4.01Å; I333-A426 HydrophobicContact CG2-CB 3.95Å; W406-A426 HydrophobicContact CH2-CB 4.22Å; W406-A426 WeakPolarHBondContact CH2-O 3.41Å; W406-A426 VanDerWaalsContact CZ2-C 3.42Å; W406-A426 HydrophobicContact CZ2-CB 3.62Å; C422-A426 VanDerWaalsContact O-CB 3.26Å; C422-A426 WeakPolarHBondContact O-CB 3.21Å; C422-A426 PolarHBondContact O-N 3.21Å; C422-A426 VanDerWaalsContact O-N 3.09Å; T424-A426 VanDerWaalsContact C-N 3.35Å; T424-A426 PolarHBondContact O-N 3.19Å; A426-F429 PolarHBondContact O-N 3Å; A426-Y430 WeakPolarHBondContact O-CB 3.31Å; A426-Y430 PolarHBondContact O-N 3.37Å
427L98.9Very high98.7Very high18 Ų1851 Ų519%0.09427%0.272CS..Hα-helixtrans-66.3-42.3177.2-177.360.3000111W406 R407 V410 F423 T424 F429 Y430 D431W406-L427 HydrophobicContact CD2-CB 4.46Å; W406-L427 HydrophobicContact CD2-CD1 3.94Å; W406-L427 HydrophobicContact CE3-CD1 3.81Å; W406-L427 VanDerWaalsContact CH2-CA 3.49Å; W406-L427 HydrophobicContact CH2-CB 4.14Å; W406-L427 HydrophobicContact CH2-CD1 4.16Å; W406-L427 HydrophobicContact CZ2-CB 3.69Å; W406-L427 HydrophobicContact CZ2-CD1 4.31Å; W406-L427 HydrophobicContact CZ3-CD1 3.9Å; R407-L427 HydrophobicContact CG-CD1 4.24Å; R407-L427 HydrophobicContact CG-CD2 4.13Å; V410-L427 HydrophobicContact CB-CD2 4.28Å; V410-L427 HydrophobicContact CG1-CD2 4.28Å; V410-L427 HydrophobicContact CG2-CD2 4.22Å; F423-L427 PolarHBondContact O-N 3.31Å; F423-L427 VanDerWaalsContact O-N 3.1Å; T424-L427 PolarHBondContact O-N 3.35Å; L427-F429 VanDerWaalsContact C-N 3.34Å; L427-F429 PolarHBondContact O-N 2.86Å; L427-Y430 PolarHBondContact O-N 3.31Å; L427-D431 WeakPolarHBondContact O-CB 3.46Å; L427-D431 PolarHBondContact O-N 3Å
428S98.9Very high98.8Very high79 Ų7953 Ų5355%0.55227%0.272SS*.Hα-helixtrans-62.1-41.6176.6-55.40000111.7T424 T425 G432T424-S428 WeakPolarHBondContact O-CB 3.3Å; T424-S428 PolarHBondContact O-N 2.88Å; T424-S428 PolarHBondContact O-OG 2.84Å; T425-S428 PolarHBondContact O-N 3.32Å; S428-G432 PolarHBondContact O-N 2.89Å
429F98.9Very high98.8Very high21 Ų2156.8 Ų56.89%0.09230%0.298CS..Hα-helixtrans-64.2-46.9174.2173.5-90.5000111.5P277 I333 Q337 M340 L390 T425 A426 L427 D431 G432 Y433P277-F429 HydrophobicContact CB-CD2 4.38Å; P277-F429 HydrophobicContact CB-CE2 4.13Å; P277-F429 HydrophobicContact CG-CE2 3.79Å; I333-F429 HydrophobicContact CG2-CB 4.22Å; I333-F429 HydrophobicContact CG2-CD1 3.41Å; I333-F429 VanDerWaalsContact CG2-CD1 3.41Å; I333-F429 HydrophobicContact CG2-CE1 4.09Å; I333-F429 HydrophobicContact CG2-CG 4.07Å; Q337-F429 HydrophobicContact CG-CD1 4.43Å; Q337-F429 HydrophobicContact CG-CD2 4.41Å; Q337-F429 HydrophobicContact CG-CE1 4.18Å; Q337-F429 HydrophobicContact CG-CE2 4.18Å; Q337-F429 HydrophobicContact CG-CZ 4.05Å; Q337-F429 VanDerWaalsContact NE2-CD2 3.35Å; M340-F429 HydrophobicContact CE-CZ 4.35Å; M340-F429 HydrophobicContact SD-CZ 3.92Å; L390-F429 HydrophobicContact CD1-CE1 4.16Å; T425-F429 WeakPolarHBondContact O-CB 3.28Å; T425-F429 PolarHBondContact O-N 3.23Å; A426-F429 PolarHBondContact O-N 3Å; L427-F429 VanDerWaalsContact C-N 3.34Å; L427-F429 PolarHBondContact O-N 2.86Å; F429-D431 PolarHBondContact O-N 3.13Å; F429-G432 PolarHBondContact O-N 3.36Å; F429-Y433 HydrophobicContact CE1-CG 4.38Å; F429-Y433 HydrophobicContact CZ-CD2 4.06Å; F429-Y433 HydrophobicContact CZ-CG 4.27Å; F429-Y433 VanDerWaalsContact O-CB 3.26Å; F429-Y433 WeakPolarHBondContact O-CB 3.42Å; F429-Y433 PolarHBondContact O-N 2.88Å
430Y98.9Very high98.7Very high38 Ų3855.6 Ų55.615%0.14929%0.294CS..Hα-helixtrans-59-48.5178.7173.4-109.3000111.5I333 V399 W406 A426 L427 G432 Y433 R434I333-Y430 HydrophobicContact CD1-CD2 4.24Å; V399-Y430 HydrophobicContact CG1-CD2 3.93Å; V399-Y430 HydrophobicContact CG1-CE1 4.2Å; V399-Y430 HydrophobicContact CG1-CE2 3.51Å; V399-Y430 HydrophobicContact CG1-CG 4.44Å; W406-Y430 HydrophobicContact CH2-CG 4.43Å; W406-Y430 HydrophobicContact CZ3-CD1 4.03Å; W406-Y430 HydrophobicContact CZ3-CG 4.04Å; A426-Y430 WeakPolarHBondContact O-CB 3.31Å; A426-Y430 PolarHBondContact O-N 3.37Å; L427-Y430 PolarHBondContact O-N 3.31Å; Y430-G432 VanDerWaalsContact C-N 3.35Å; Y430-Y433 PolarHBondContact O-N 3.07Å; Y430-R434 WeakPolarHBondContact O-CG 3.43Å; Y430-R434 PolarHBondContact O-N 3.3Å
431D98.9Very high98.7Very high34 Ų3460.1 Ų60.118%0.18232%0.319CS..Hα-helixtrans-63.9-40.1176.1-78-33.3000111.2R407 L427 F429 R434 H435R407-D431 IonicContact CZ-OD1 2.83Å; R407-D431 IonicContact CZ-OD2 3.8Å; R407-D431 IonicContact NH1-OD1 2.68Å; R407-D431 IonicContact NH1-OD2 3.31Å; R407-D431 PolarHBondContact NH1-OD2 2.83Å; R407-D431 IonicContact NH2-OD1 2.95Å; R407-D431 PolarHBondContact NH2-OD1 3.39Å; R407-D431 IonicContact NH2-OD2 3.63Å; R407-D431 PolarHBondContact NH2-OD2 2.99Å; L427-D431 WeakPolarHBondContact O-CB 3.46Å; L427-D431 PolarHBondContact O-N 3Å; F429-D431 PolarHBondContact O-N 3.13Å; D431-R434 WeakPolarHBondContact O-CG 3.33Å; D431-R434 IonicContact OD1-CZ 2.73Å; D431-R434 IonicContact OD1-NE 3.06Å; D431-R434 PolarHBondContact OD1-NE 3.41Å; D431-R434 IonicContact OD1-NH2 3.36Å; D431-R434 PolarHBondContact OD1-NH2 2.92Å; D431-H435 PolarHBondContact O-ND1 2.92Å
432G98.8Very high98.7Very high25 Ų2563.6 Ų63.626%0.25834%0.335SS..Hα-helixtrans-62.2-45.1174.600000113.4S428 F429 Y430 R434 H435S428-G432 PolarHBondContact O-N 2.89Å; F429-G432 PolarHBondContact O-N 3.36Å; Y430-G432 VanDerWaalsContact C-N 3.35Å; G432-R434 PolarHBondContact O-N 3.39Å; G432-H435 PolarHBondContact O-N 3.32Å
433Y98.8Very high98.7Very high98 Ų9868.2 Ų68.238%0.38436%0.359SS..Hα-helixtrans-69.7-29.8-174.5-170.7-102.1000113.3N388 L390 F429 Y430N388-Y433 WeakPolarHBondContact CB-OH 3.5Å; N388-Y433 PolarHBondContact ND2-OH 3.15Å; L390-Y433 HydrophobicContact CD1-CD1 4.06Å; L390-Y433 HydrophobicContact CD1-CE1 4.43Å; F429-Y433 HydrophobicContact CE1-CG 4.38Å; F429-Y433 HydrophobicContact CZ-CD2 4.06Å; F429-Y433 HydrophobicContact CZ-CG 4.27Å; F429-Y433 VanDerWaalsContact O-CB 3.26Å; F429-Y433 WeakPolarHBondContact O-CB 3.42Å; F429-Y433 PolarHBondContact O-N 2.88Å; Y430-Y433 PolarHBondContact O-N 3.07Å
434R98.6Very high98.6Very high129 Ų12971 Ų7149%0.48737%0.372SS..THydrogen-bonded Turntrans-87.3-5.5-179.974-177.8-179.576.23.5114.7Y430 D431 G432Y430-R434 WeakPolarHBondContact O-CG 3.43Å; Y430-R434 PolarHBondContact O-N 3.3Å; D431-R434 WeakPolarHBondContact O-CG 3.33Å; D431-R434 IonicContact OD1-CZ 2.73Å; D431-R434 IonicContact OD1-NE 3.06Å; D431-R434 PolarHBondContact OD1-NE 3.41Å; D431-R434 IonicContact OD1-NH2 3.36Å; D431-R434 PolarHBondContact OD1-NH2 2.92Å; G432-R434 PolarHBondContact O-N 3.39Å
435H98.6Very high98.6Very high93 Ų9370 Ų7043%0.43137%0.368SS..  trans-89.7123.7177.5-82.276000110.3D431 G432 M437 L438D431-H435 PolarHBondContact O-ND1 2.92Å; G432-H435 PolarHBondContact O-N 3.32Å; H435-M437 VanDerWaalsContact C-N 3.26Å; H435-M437 PolarHBondContact O-N 3.28Å; H435-L438 HydrophobicContact CB-CD2 3.87Å; H435-L438 HydrophobicContact CB-CG 4.43Å
436E98.2Very high98.5Very high192 Ų19273.9 Ų73.990%0.89739%0.385SS*.SBendtrans-61.5-37.4171.9-177-179.6-17700111.7
437M98.1Very high98.4Very high98 Ų9878.2 Ų78.248%0.48340%0.401SS..SBendtrans-120.4119.6-179.2-70.4-61.6-58.100110.8H435 L458H435-M437 VanDerWaalsContact C-N 3.26Å; H435-M437 PolarHBondContact O-N 3.28Å; M437-L458 HydrophobicContact CE-CD1 3.81Å; M437-L458 HydrophobicContact CE-CD2 4Å; M437-L458 HydrophobicContact CE-CG 4.46Å; M437-L458 HydrophobicContact SD-CD1 4.08Å; M437-L458 HydrophobicContact SD-CD2 3.83Å
438L98.6Very high98.3Very high86 Ų8677.3 Ų77.345%0.4540%0.396SS..  trans-107.9159.6174.6-72.9178.7000111.2H435 A440 N441H435-L438 HydrophobicContact CB-CD2 3.87Å; H435-L438 HydrophobicContact CB-CG 4.43Å; L438-A440 PolarHBondContact O-N 3.47Å; L438-N441 PolarHBondContact O-OD1 3.26Å
439P98.6Very high98.1Very high100 Ų10079.9 Ų79.965%0.64940%0.395SS*.THydrogen-bonded Turntrans-70.69.2178.530.3-36.9000114.4N441 L442P439-N441 WeakPolarHBondContact CA-OD1 3.29Å; P439-N441 PolarHBondContact O-N 3.06Å; P439-N441 PolarHBondContact O-OD1 3.08Å; P439-L442 WeakPolarHBondContact O-CB 3.19Å; P439-L442 PolarHBondContact O-N 3.25Å
440A98.3Very high97.8Very high51 Ų5186 Ų8642%0.42142%0.422SS..Hα-helixtrans-64.5-18.4177.100000113L438 L442 I443 Q444L438-A440 PolarHBondContact O-N 3.47Å; A440-L442 PolarHBondContact O-N 2.93Å; A440-I443 WeakPolarHBondContact O-CB 3.39Å; A440-I443 PolarHBondContact O-N 3.09Å; A440-I443 VanDerWaalsContact O-N 3.15Å; A440-Q444 PolarHBondContact O-N 3.41Å
441N98.1Very high97.5Very high104 Ų10485.3 Ų85.356%0.55643%0.426SS*.Hα-helixtrans-58.1-34.8168.564.9-33.3000112.4L438 P439 Q444 A445L438-N441 PolarHBondContact O-OD1 3.26Å; P439-N441 WeakPolarHBondContact CA-OD1 3.29Å; P439-N441 PolarHBondContact O-N 3.06Å; P439-N441 PolarHBondContact O-OD1 3.08Å; N441-Q444 PolarHBondContact O-N 3.28Å; N441-A445 PolarHBondContact O-N 3.35Å
442L98.6Very high97.2Very high101 Ų10184.6 Ų84.653%0.52943%0.425SS..Hα-helixtrans-70.3-36.6174.8-178.160.7000111.8P439 A440 Q444 A445 Q446P439-L442 WeakPolarHBondContact O-CB 3.19Å; P439-L442 PolarHBondContact O-N 3.25Å; A440-L442 PolarHBondContact O-N 2.93Å; L442-Q444 VanDerWaalsContact C-N 3.32Å; L442-Q444 PolarHBondContact O-N 3.47Å; L442-A445 PolarHBondContact O-N 2.97Å; L442-Q446 HydrophobicContact CD1-CG 4.38Å; L442-Q446 HydrophobicContact CG-CG 4.45Å; L442-Q446 WeakPolarHBondContact O-CB 3.41Å; L442-Q446 VanDerWaalsContact O-CG 3.25Å; L442-Q446 WeakPolarHBondContact O-CG 3.33Å; L442-Q446 PolarHBondContact O-N 3.14Å
443I98.4Very high97Very high97 Ų9786.1 Ų86.150%0.49743%0.426SS..Hα-helixtrans-60.2-45.7172.9-65.3172.3000109.7A440 Q446 R447A440-I443 WeakPolarHBondContact O-CB 3.39Å; A440-I443 PolarHBondContact O-N 3.09Å; A440-I443 VanDerWaalsContact O-N 3.15Å; I443-Q446 PolarHBondContact O-N 3.11Å; I443-R447 HydrophobicContact CG2-CG 4.38Å; I443-R447 WeakPolarHBondContact O-CB 3.46Å; I443-R447 VanDerWaalsContact O-CG 3.28Å; I443-R447 WeakPolarHBondContact O-CG 3.49Å; I443-R447 PolarHBondContact O-N 3.26Å
444Q97.9Very high96.8Very high60 Ų6082 Ų8228%0.2841%0.41SS..Hα-helixtrans-60.9-45.6176.3-72.2-64.7100.600112A440 N441 L442 Q446 R447 D448A440-Q444 PolarHBondContact O-N 3.41Å; N441-Q444 PolarHBondContact O-N 3.28Å; L442-Q444 VanDerWaalsContact C-N 3.32Å; L442-Q444 PolarHBondContact O-N 3.47Å; Q444-Q446 PolarHBondContact O-N 3.38Å; Q444-R447 PolarHBondContact O-N 2.9Å; Q444-D448 WeakPolarHBondContact O-CB 3.47Å; Q444-D448 PolarHBondContact O-N 3.34Å
445A97.9Very high96.7Very high25 Ų2577.8 Ų77.821%0.20740%0.395CS..Hα-helixtrans-61.4-42.9176.200000112.3N441 L442 D448 Y449 W469N441-A445 PolarHBondContact O-N 3.35Å; L442-A445 PolarHBondContact O-N 2.97Å; A445-D448 PolarHBondContact O-N 2.86Å; A445-Y449 VanDerWaalsContact O-CB 3.23Å; A445-Y449 WeakPolarHBondContact O-CB 3.39Å; A445-Y449 PolarHBondContact O-N 3.37Å; A445-W469 HydrophobicContact CB-CH2 4.01Å; A445-W469 HydrophobicContact CB-CZ2 4.11Å
446Q97.8Very high96.6Very high103 Ų10377.5 Ų77.548%0.48139%0.394SS..Hα-helixtrans-61.3-48.7176.1-74.6169.4-14.200111.6L442 I443 Q444 D448 Y449 F450L442-Q446 HydrophobicContact CD1-CG 4.38Å; L442-Q446 HydrophobicContact CG-CG 4.45Å; L442-Q446 WeakPolarHBondContact O-CB 3.41Å; L442-Q446 VanDerWaalsContact O-CG 3.25Å; L442-Q446 WeakPolarHBondContact O-CG 3.33Å; L442-Q446 PolarHBondContact O-N 3.14Å; I443-Q446 PolarHBondContact O-N 3.11Å; Q444-Q446 PolarHBondContact O-N 3.38Å; Q446-D448 VanDerWaalsContact C-N 3.31Å; Q446-D448 PolarHBondContact O-N 3.07Å; Q446-Y449 WeakPolarHBondContact O-CB 3.39Å; Q446-Y449 PolarHBondContact O-N 3.31Å; Q446-Y449 VanDerWaalsContact O-N 3.15Å; Q446-F450 HydrophobicContact CB-CE1 4.47Å; Q446-F450 WeakPolarHBondContact O-CD1 3.39Å; Q446-F450 WeakPolarHBondContact O-CE1 3.35Å; Q446-F450 PolarHBondContact O-N 2.9Å
447R96.4Very high96.5Very high90 Ų9072.3 Ų72.334%0.3437%0.372SS..Hα-helixtrans-59.4-42178.5-72.7177.668.4-117-6.9111.9I443 Q444 F450 G451 H453I443-R447 HydrophobicContact CG2-CG 4.38Å; I443-R447 WeakPolarHBondContact O-CB 3.46Å; I443-R447 VanDerWaalsContact O-CG 3.28Å; I443-R447 WeakPolarHBondContact O-CG 3.49Å; I443-R447 PolarHBondContact O-N 3.26Å; Q444-R447 PolarHBondContact O-N 2.9Å; R447-F450 HydrophobicContact CB-CZ 4.38Å; R447-F450 HydrophobicContact CG-CE1 4.34Å; R447-F450 HydrophobicContact CG-CZ 4.1Å; R447-G451 WeakPolarHBondContact O-CA 3.1Å; R447-G451 PolarHBondContact O-N 3.31Å; R447-H453 HydrophobicContact CB-CB 3.98Å; R447-H453 PolarHBondContact O-CD2 2.78Å
448D96.1Very high96.5Very high0 Ų074.2 Ų74.20%038%0.383CS..Hα-helixtrans-69.1-38.8175.7-168.454.9000112.2Q444 A445 Q446 A452 T454 Y455 H466 T467 W469Q444-D448 WeakPolarHBondContact O-CB 3.47Å; Q444-D448 PolarHBondContact O-N 3.34Å; A445-D448 PolarHBondContact O-N 2.86Å; Q446-D448 VanDerWaalsContact C-N 3.31Å; Q446-D448 PolarHBondContact O-N 3.07Å; D448-A452 VanDerWaalsContact O-CA 3.29Å; D448-A452 WeakPolarHBondContact O-CA 3.31Å; D448-A452 PolarHBondContact O-N 3.33Å; D448-T454 VanDerWaalsContact OD1-CA 3.26Å; D448-T454 WeakPolarHBondContact OD1-CA 3.2Å; D448-T454 PolarHBondContact OD1-N 2.83Å; D448-Y455 HydrophobicContact CB-CD1 3.86Å; D448-Y455 HydrophobicContact CB-CE1 4.46Å; D448-Y455 WeakPolarHBondContact OD2-CE1 3.46Å; D448-H466 VanDerWaalsContact CG-ND1 3.34Å; D448-H466 IonicContact OD1-CE1 2.68Å; D448-H466 IonicContact OD1-CG 3.09Å; D448-H466 IonicContact OD1-ND1 3.03Å; D448-H466 PolarHBondContact OD1-ND1 3.39Å; D448-H466 IonicContact OD2-ND1 3.17Å; D448-H466 PolarHBondContact OD2-ND1 3.02Å; D448-T467 PolarHBondContact OD2-N 2.79Å; D448-W469 PolarHBondContact OD2-NE1 3.04Å
449Y94.9Very high96.4Very high133 Ų13374.5 Ų74.552%0.52240%0.398SS..Hα-helixtrans-59.2-54.1177.9-172.4-71.5000112.7A445 Q446 W469 T470A445-Y449 VanDerWaalsContact O-CB 3.23Å; A445-Y449 WeakPolarHBondContact O-CB 3.39Å; A445-Y449 PolarHBondContact O-N 3.37Å; Q446-Y449 WeakPolarHBondContact O-CB 3.39Å; Q446-Y449 PolarHBondContact O-N 3.31Å; Q446-Y449 VanDerWaalsContact O-N 3.15Å; Y449-W469 HydrophobicContact CD2-CB 3.17Å; Y449-W469 HydrophobicContact CD2-CD2 4.01Å; Y449-W469 HydrophobicContact CD2-CE3 4.37Å; Y449-W469 AromaticContact CD2-CG 3.5Å; Y449-W469 HydrophobicContact CD2-CG 3.5Å; Y449-W469 HydrophobicContact CE2-CB 3.44Å; Y449-W469 VanDerWaalsContact CE2-CB 3.44Å; Y449-W469 HydrophobicContact CE2-CG 4.26Å; Y449-W469 HydrophobicContact CG-CB 3.97Å; Y449-W469 HydrophobicContact CG-CG 4.09Å; Y449-T470 HydrophobicContact CE1-CG2 4.19Å
450F93.1Very high96.3Very high148 Ų14875.3 Ų75.365%0.64939%0.391SS*.Hα-helixtrans-87-21.2-174.269.2-112.3000113.6Q446 R447 H453Q446-F450 HydrophobicContact CB-CE1 4.47Å; Q446-F450 WeakPolarHBondContact O-CD1 3.39Å; Q446-F450 WeakPolarHBondContact O-CE1 3.35Å; Q446-F450 PolarHBondContact O-N 2.9Å; R447-F450 HydrophobicContact CB-CZ 4.38Å; R447-F450 HydrophobicContact CG-CE1 4.34Å; R447-F450 HydrophobicContact CG-CZ 4.1Å; F450-H453 AromaticContact CE2-CD2 3.99Å; F450-H453 AromaticContact CE2-NE2 3.93Å
451G92.1Very high96.2Very high24 Ų2477.8 Ų77.825%0.24740%0.403CS..Hα-helixtrans-1352.9-165.900000115.6R447 H453R447-G451 WeakPolarHBondContact O-CA 3.1Å; R447-G451 PolarHBondContact O-N 3.31Å; G451-H453 PolarHBondContact O-N 3.03Å; G451-H453 VanDerWaalsContact O-N 3.16Å
452A93.3Very high96Very high19 Ų1975.5 Ų75.516%0.15740%0.404CS..  trans50.438.9-17700000112.7D448 T454 H466 S478D448-A452 VanDerWaalsContact O-CA 3.29Å; D448-A452 WeakPolarHBondContact O-CA 3.31Å; D448-A452 PolarHBondContact O-N 3.33Å; A452-T454 PolarHBondContact O-N 2.95Å; A452-H466 VanDerWaalsContact CB-CE1 3.46Å; A452-H466 WeakPolarHBondContact CB-CE1 3.48Å; A452-S478 PolarHBondContact O-N 3.19Å; A452-S478 PolarHBondContact O-OG 3.39Å
453H93.9Very high95.7Very high58 Ų5875.9 Ų75.927%0.26940%0.403SS..  trans-77-0.1-176.2-71.6-45.6000115.1R447 F450 G451 S478R447-H453 HydrophobicContact CB-CB 3.98Å; R447-H453 PolarHBondContact O-CD2 2.78Å; F450-H453 AromaticContact CE2-CD2 3.99Å; F450-H453 AromaticContact CE2-NE2 3.93Å; G451-H453 PolarHBondContact O-N 3.03Å; G451-H453 VanDerWaalsContact O-N 3.16Å; H453-S478 WeakPolarHBondContact CA-OG 3.44Å; H453-S478 PolarHBondContact ND1-OG 3.34Å; H453-S478 VanDerWaalsContact ND1-OG 3.13Å
454T95.7Very high95.6Very high11 Ų1176.8 Ų76.87%0.06740%0.404CS..  trans61.7164-17776.70000113.8D448 A452 F464 I465 H466D448-T454 VanDerWaalsContact OD1-CA 3.26Å; D448-T454 WeakPolarHBondContact OD1-CA 3.2Å; D448-T454 PolarHBondContact OD1-N 2.83Å; A452-T454 PolarHBondContact O-N 2.95Å; T454-F464 HydrophobicContact CG2-CB 4.47Å; T454-F464 WeakPolarHBondContact OG1-CD1 3.32Å; T454-I465 CarbonylContact C-O 3.2Å; T454-I465 WeakPolarHBondContact CA-O 3.37Å; T454-I465 WeakPolarHBondContact CB-O 3.48Å; T454-H466 HydrophobicContact CG2-CB 4.34Å
455Y95.6Very high95.4Very high40 Ų4076.5 Ų76.516%0.15740%0.404CS..EExtended strand (participates in β ladder)trans-151.4168.6173.663.4-88.5000110.3D448 L457 F464 I465 T467 W469D448-Y455 HydrophobicContact CB-CD1 3.86Å; D448-Y455 HydrophobicContact CB-CE1 4.46Å; D448-Y455 WeakPolarHBondContact OD2-CE1 3.46Å; Y455-L457 HydrophobicContact CE2-CD2 4.05Å; Y455-F464 CarbonylContact O-C 3.49Å; Y455-F464 WeakPolarHBondContact O-CA 3.47Å; Y455-I465 VanDerWaalsContact CD1-O 3.27Å; Y455-I465 WeakPolarHBondContact CD1-O 3.47Å; Y455-I465 HydrophobicContact CE1-CG2 4.42Å; Y455-I465 WeakPolarHBondContact CE1-O 3.48Å; Y455-I465 HydrophobicContact CE2-CB 4.43Å; Y455-I465 PolarHBondContact N-O 3.25Å; Y455-I465 PolarHBondContact O-N 3.36Å; Y455-T467 PolarHBondContact OH-OG1 2.69Å; Y455-W469 AromaticContact CE1-CZ2 3.93Å; Y455-W469 HydrophobicContact CE1-CZ2 3.93Å
456E97.4Very high95.2Very high88 Ų8877.7 Ų77.741%0.41141%0.405SS..EExtended strand (participates in β ladder)trans-106.9150.1176.6-62.1170.284.600110.6G462 F464E456-G462 WeakPolarHBondContact OE1-CA 3.15Å; E456-G462 PolarHBondContact OE1-N 3.21Å; E456-F464 HydrophobicContact CG-CD1 3.82Å; E456-F464 HydrophobicContact CG-CE1 3.67Å; E456-F464 HydrophobicContact CG-CG 4.4Å; E456-F464 HydrophobicContact CG-CZ 4.13Å
457L96.7Very high95.1Very high82 Ų8274.9 Ų74.943%0.42940%0.395SS..EExtended strand (participates in β ladder)trans-89.5144.1170-70.3172.7000110.3Y455 A459 K460 I465Y455-L457 HydrophobicContact CE2-CD2 4.05Å; L457-A459 PolarHBondContact O-N 2.68Å; L457-A459 VanDerWaalsContact O-N 3.15Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 VanDerWaalsContact O-C 3.3Å; L457-K460 PolarHBondContact O-N 3.44Å; L457-I465 HydrophobicContact CB-CD1 4.49Å; L457-I465 HydrophobicContact CD1-CD1 3.43Å; L457-I465 VanDerWaalsContact CD1-CD1 3.43Å; L457-I465 HydrophobicContact CG-CD1 3.58Å
458L96.9Very high94.9Very high138 Ų13874 Ų7472%0.72340%0.397SS*.THydrogen-bonded Turntrans-51.9-40.1176.1-67.8172.9000113M437 K460M437-L458 HydrophobicContact CE-CD1 3.81Å; M437-L458 HydrophobicContact CE-CD2 4Å; M437-L458 HydrophobicContact CE-CG 4.46Å; M437-L458 HydrophobicContact SD-CD1 4.08Å; M437-L458 HydrophobicContact SD-CD2 3.83Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 3.42Å
459A97Very high94.8Very high93 Ų9378.9 Ų78.977%0.76942%0.415SS*.THydrogen-bonded Turntrans-78.5-12.2-178.100000114.1L457L457-A459 PolarHBondContact O-N 2.68Å; L457-A459 VanDerWaalsContact O-N 3.15Å
460K95.9Very high94.7Very high116 Ų11675.8 Ų75.850%0.50441%0.41SS..EExtended strand (participates in β ladder)trans-14165.2-176.9-60.8-174.4-179.1-179.50112.2L457 L458 Q463L457-K460 CarbonylContact O-C 3.48Å; L457-K460 VanDerWaalsContact O-C 3.3Å; L457-K460 PolarHBondContact O-N 3.44Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 3.42Å; K460-Q463 HydrophobicContact CB-CB 4.43Å; K460-Q463 PolarHBondContact O-N 2.9Å
461P95.6Very high94.2Very high103 Ų10371.5 Ų71.567%0.66941%0.407SS*.EExtended strand (participates in β ladder)trans-58.4145.6173.4-20.633.7000111.5Q463P461-Q463 VanDerWaalsContact C-N 3.32Å
462G94.1Very high93.5Very high56 Ų5678.9 Ų78.958%0.57744%0.435SS*.EExtended strand (participates in β ladder)trans85.2-6.4-174.800000114.9E456E456-G462 WeakPolarHBondContact OE1-CA 3.15Å; E456-G462 PolarHBondContact OE1-N 3.21Å
463Q94.1Very high92.2Very high109 Ų10979.6 Ų79.651%0.50944%0.444SS..EExtended strand (participates in β ladder)trans-106.1113.2175.4-64.7-171.20.300111.3K460 P461K460-Q463 HydrophobicContact CB-CB 4.43Å; K460-Q463 PolarHBondContact O-N 2.9Å; P461-Q463 VanDerWaalsContact C-N 3.32Å
464F94.6Very high91Very high117 Ų11779.3 Ų79.351%0.51346%0.457SS..EExtended strand (participates in β ladder)trans-88.9128.3179.7-66.7-82.4000111.7T454 Y455 E456T454-F464 HydrophobicContact CG2-CB 4.47Å; T454-F464 WeakPolarHBondContact OG1-CD1 3.32Å; Y455-F464 CarbonylContact O-C 3.49Å; Y455-F464 WeakPolarHBondContact O-CA 3.47Å; E456-F464 HydrophobicContact CG-CD1 3.82Å; E456-F464 HydrophobicContact CG-CE1 3.67Å; E456-F464 HydrophobicContact CG-CG 4.4Å; E456-F464 HydrophobicContact CG-CZ 4.13Å
465I94.3Very high89.9Confident54 Ų5484.6 Ų84.628%0.27749%0.494SS..EExtended strand (participates in β ladder)trans-122.2135-176.2-64.2157.2000108.5T454 Y455 L457T454-I465 CarbonylContact C-O 3.2Å; T454-I465 WeakPolarHBondContact CA-O 3.37Å; T454-I465 WeakPolarHBondContact CB-O 3.48Å; Y455-I465 VanDerWaalsContact CD1-O 3.27Å; Y455-I465 WeakPolarHBondContact CD1-O 3.47Å; Y455-I465 HydrophobicContact CE1-CG2 4.42Å; Y455-I465 WeakPolarHBondContact CE1-O 3.48Å; Y455-I465 HydrophobicContact CE2-CB 4.43Å; Y455-I465 PolarHBondContact N-O 3.25Å; Y455-I465 PolarHBondContact O-N 3.36Å; L457-I465 HydrophobicContact CB-CD1 4.49Å; L457-I465 HydrophobicContact CD1-CD1 3.43Å; L457-I465 VanDerWaalsContact CD1-CD1 3.43Å; L457-I465 HydrophobicContact CG-CD1 3.58Å
466H94.5Very high89Confident49 Ų4988.3 Ų88.323%0.22752%0.521CS..  trans-104.4134.2164.7174.452.5000109.1D448 A452 T454D448-H466 VanDerWaalsContact CG-ND1 3.34Å; D448-H466 IonicContact OD1-CE1 2.68Å; D448-H466 IonicContact OD1-CG 3.09Å; D448-H466 IonicContact OD1-ND1 3.03Å; D448-H466 PolarHBondContact OD1-ND1 3.39Å; D448-H466 IonicContact OD2-ND1 3.17Å; D448-H466 PolarHBondContact OD2-ND1 3.02Å; A452-H466 VanDerWaalsContact CB-CE1 3.46Å; A452-H466 WeakPolarHBondContact CB-CE1 3.48Å; T454-H466 HydrophobicContact CG2-CB 4.34Å
467T94.5Very high88Confident45 Ų4586.9 Ų86.928%0.27652%0.521SS..  trans-106.5134.5173.4-77.30000110.2D448 Y455 W469D448-T467 PolarHBondContact OD2-N 2.79Å; Y455-T467 PolarHBondContact OH-OG1 2.69Å; T467-W469 VanDerWaalsContact C-N 3.29Å; T467-W469 HydrophobicContact CG2-CD2 3.72Å; T467-W469 HydrophobicContact CG2-CE3 4.15Å; T467-W469 HydrophobicContact CG2-CG 3.97Å; T467-W469 HydrophobicContact CG2-CZ2 4.2Å; T467-W469 PolarHBondContact O-N 2.91Å; T467-W469 PolarHBondContact O-NE1 2.69Å
468N93.5Very high86.8Confident70 Ų7084.6 Ų84.637%0.37451%0.511SS..  trans-76.684.1168179.28.9000109.8T470 G471 H472 G473N468-T470 VanDerWaalsContact C-N 3.31Å; N468-T470 PolarHBondContact O-N 2.78Å; N468-T470 PolarHBondContact OD1-OG1 3.43Å; N468-G471 PolarHBondContact OD1-N 2.83Å; N468-G471 VanDerWaalsContact OD1-N 3.1Å; N468-H472 PolarHBondContact OD1-N 2.84Å; N468-G473 PolarHBondContact ND2-O 3.37Å; N468-G473 WeakPolarHBondContact OD1-CA 3.39Å; N468-G473 PolarHBondContact OD1-N 3.01Å; N468-G473 PolarHBondContact OD1-O 3.1Å
469W93.9Very high85.4Confident104 Ų10482.7 Ų82.739%0.39451%0.51SS..THydrogen-bonded Turntrans-68.5-27-174.8-60.290.7000114.2A445 D448 Y449 Y455 T467A445-W469 HydrophobicContact CB-CH2 4.01Å; A445-W469 HydrophobicContact CB-CZ2 4.11Å; D448-W469 PolarHBondContact OD2-NE1 3.04Å; Y449-W469 HydrophobicContact CD2-CB 3.17Å; Y449-W469 HydrophobicContact CD2-CD2 4.01Å; Y449-W469 HydrophobicContact CD2-CE3 4.37Å; Y449-W469 AromaticContact CD2-CG 3.5Å; Y449-W469 HydrophobicContact CD2-CG 3.5Å; Y449-W469 HydrophobicContact CE2-CB 3.44Å; Y449-W469 VanDerWaalsContact CE2-CB 3.44Å; Y449-W469 HydrophobicContact CE2-CG 4.26Å; Y449-W469 HydrophobicContact CG-CB 3.97Å; Y449-W469 HydrophobicContact CG-CG 4.09Å; Y455-W469 AromaticContact CE1-CZ2 3.93Å; Y455-W469 HydrophobicContact CE1-CZ2 3.93Å; T467-W469 VanDerWaalsContact C-N 3.29Å; T467-W469 HydrophobicContact CG2-CD2 3.72Å; T467-W469 HydrophobicContact CG2-CE3 4.15Å; T467-W469 HydrophobicContact CG2-CG 3.97Å; T467-W469 HydrophobicContact CG2-CZ2 4.2Å; T467-W469 PolarHBondContact O-N 2.91Å; T467-W469 PolarHBondContact O-NE1 2.69Å
470T91.3Very high83.5Confident68 Ų6881.7 Ų81.742%0.41750%0.497SS..THydrogen-bonded Turntrans-93.2-11.1-174.862.60000113.2Y449 N468 H472 G473Y449-T470 HydrophobicContact CE1-CG2 4.19Å; N468-T470 VanDerWaalsContact C-N 3.31Å; N468-T470 PolarHBondContact O-N 2.78Å; N468-T470 PolarHBondContact OD1-OG1 3.43Å; T470-H472 PolarHBondContact O-N 3.24Å; T470-H472 VanDerWaalsContact O-N 3.15Å; T470-H472 PolarHBondContact O-ND1 3.42Å; T470-H472 PolarHBondContact OG1-N 3.4Å; T470-G473 PolarHBondContact OG1-N 2.97Å; T470-G473 VanDerWaalsContact OG1-N 3.13Å
471G83.9Confident81.4Confident57 Ų5786.1 Ų86.159%0.58851%0.512SS*.SBendtrans70.8-4.3-171.100000114.5N468N468-G471 PolarHBondContact OD1-N 2.83Å; N468-G471 VanDerWaalsContact OD1-N 3.1Å
472H77.1Confident78.8Confident180 Ų18088.7 Ų88.783%0.83352%0.52SS*.SBendtrans-124.1-6.1-177.9-57.978.8000112.5N468 T470N468-H472 PolarHBondContact OD1-N 2.84Å; T470-H472 PolarHBondContact O-N 3.24Å; T470-H472 VanDerWaalsContact O-N 3.15Å; T470-H472 PolarHBondContact O-ND1 3.42Å; T470-H472 PolarHBondContact OG1-N 3.4Å
473G66.3Low76.2Confident33 Ų3394.1 Ų94.134%0.3456%0.56SS.*SBendtrans-73.9149.5171.600000111.9N468 T470N468-G473 PolarHBondContact ND2-O 3.37Å; N468-G473 WeakPolarHBondContact OD1-CA 3.39Å; N468-G473 PolarHBondContact OD1-N 3.01Å; N468-G473 PolarHBondContact OD1-O 3.1Å; T470-G473 PolarHBondContact OG1-N 2.97Å; T470-G473 VanDerWaalsContact OG1-N 3.13Å
474G68.3Low75.3Confident53 Ų5393.4 Ų93.455%0.54656%0.562SS.*  trans-73.4174.1172.400000112.5V476G474-V476 PolarHBondContact O-N 3.48Å
475S71.9Confident74.3Confident121 Ų12192.2 Ų92.285%0.84657%0.565SS**SBendtrans-81.612.6175.863.60000114
476V76.5Confident73.1Confident119 Ų11994.3 Ų94.372%0.72158%0.581SS**PPolyproline II helixtrans-91.6120.3-172.4-179.40000109G474G474-V476 PolarHBondContact O-N 3.48Å
477S76.8Confident71.9Confident57 Ų5796.9 Ų96.940%0.39960%0.602SS.*PPolyproline II helixtrans-95.8155.4174.6650000111.9
478S72.3Confident70.5Confident34 Ų34100.2 Ų100.224%0.23862%0.622CS.*PPolyproline II helixtrans-64.1138.3165.368.40000109.5A452 H453 S480A452-S478 PolarHBondContact O-N 3.19Å; A452-S478 PolarHBondContact O-OG 3.39Å; H453-S478 WeakPolarHBondContact CA-OG 3.44Å; H453-S478 PolarHBondContact ND1-OG 3.34Å; H453-S478 VanDerWaalsContact ND1-OG 3.13Å; S478-S480 PolarHBondContact O-N 2.99Å
479S67.3Low68.9Low98 Ų98102.2 Ų102.269%0.68564%0.639SS**PPolyproline II helixtrans-65.6132.117151.90000109.1Y481S479-Y481 PolarHBondContact O-N 2.79Å; S479-Y481 VanDerWaalsContact O-N 3.16Å
480S56.3Low67.2Low72 Ų72102.1 Ų102.150%0.50366%0.656SS.*PPolyproline II helixtrans-53.2120.8176.1-34.20000109.9S478 N482S478-S480 PolarHBondContact O-N 2.99Å; S480-N482 PolarHBondContact O-N 3.39Å; S480-N482 VanDerWaalsContact O-N 3.09Å
481Y52.1Low65.3Low210 Ų210104.7 Ų104.782%0.82467%0.674SS**  trans-70.3101.4161.6-73.9-86.1000106.3S479 A483S479-Y481 PolarHBondContact O-N 2.79Å; S479-Y481 VanDerWaalsContact O-N 3.16Å; Y481-A483 VanDerWaalsContact C-N 3.3Å; Y481-A483 PolarHBondContact O-N 2.97Å
482N41.9Very low63.7Low157 Ų157108.7 Ų108.784%0.8468%0.682SS**  trans-71.296.3163.2-72-13.4000106S480S480-N482 PolarHBondContact O-N 3.39Å; S480-N482 VanDerWaalsContact O-N 3.09Å
483A38.3Very low62.5Low170 Ų170102.2 Ų102.2100%1.40567%0.668SS**  trans-88.90170.400000109.6Y481Y481-A483 VanDerWaalsContact C-N 3.3Å; Y481-A483 PolarHBondContact O-N 2.97Å

Retrieved 483 of 483 residues in 217 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).