A0A3B3V3Y8_9TELE Loading...

MTSS I-BAR domain containing 1

AlphaFold DB , UniProt , Accession A0A3B3V3Y8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 787 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.7Low83.2Confident152 Ų15280.6 Ų80.675%0.74942%0.422SS*.  0-66.70-153.4163.9179.800109.3T3 V4 M5M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.33Å; M1-T3 VanDerWaalsContact O-N 3.16Å; M1-V4 WeakPolarHBondContact O-CB 3.49Å; M1-V4 PolarHBondContact O-N 3.32Å; M1-M5 HydrophobicContact CB-CE 4.38Å; M1-M5 HydrophobicContact CG-CE 3.96Å; M1-M5 HydrophobicContact CG-SD 4.36Å; M1-M5 PolarHBondContact O-N 2.94Å
2E70.9Confident84.3Confident84 Ų8476.8 Ų76.839%0.39340%0.402SS..Hα-helixtrans-44-48.9176.4-56.8177.3131.600114.1V4 M5 E6 V173 Y177E2-V4 PolarHBondContact O-N 2.98Å; E2-V4 VanDerWaalsContact O-N 3.15Å; E2-M5 PolarHBondContact O-N 3.43Å; E2-E6 WeakPolarHBondContact O-CB 3.46Å; E2-E6 PolarHBondContact O-N 3.03Å; E2-V173 VanDerWaalsContact OE1-CG1 3.25Å; E2-V173 WeakPolarHBondContact OE1-CG1 3.5Å; E2-Y177 HydrophobicContact CB-CD2 4.37Å; E2-Y177 HydrophobicContact CB-CE2 4.01Å; E2-Y177 HydrophobicContact CG-CD2 3.99Å; E2-Y177 HydrophobicContact CG-CE2 3.78Å
3T77.3Confident85.3Confident93 Ų9371.8 Ų71.857%0.57138%0.381SS*.Hα-helixtrans-68.7-6.9-179.451.60000115.9M1 R7M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.33Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-R7 WeakPolarHBondContact O-CD 3.16Å; T3-R7 WeakPolarHBondContact O-CG 3.47Å; T3-R7 PolarHBondContact O-NE 2.86Å
4V80.9Confident86.1Confident73 Ų7369.2 Ų69.244%0.44238%0.38SS..Hα-helixtrans-97.5-53.8172.6-176.10000108.5M1 E2 E6 R7 E8M1-V4 WeakPolarHBondContact O-CB 3.49Å; M1-V4 PolarHBondContact O-N 3.32Å; E2-V4 PolarHBondContact O-N 2.98Å; E2-V4 VanDerWaalsContact O-N 3.15Å; V4-E6 PolarHBondContact O-N 3.2Å; V4-E6 VanDerWaalsContact O-N 3.17Å; V4-R7 WeakPolarHBondContact O-CA 3.4Å; V4-R7 WeakPolarHBondContact O-CB 3.49Å; V4-R7 PolarHBondContact O-N 3.44Å; V4-E8 PolarHBondContact O-N 2.9Å; V4-E8 VanDerWaalsContact O-N 3.08Å
5M81.9Confident86.9Confident8 Ų869.9 Ų69.94%0.03938%0.382CS..Hα-helixtrans-53.6-38.6175.3-61.5-178-64.300112M1 E2 R7 E8 C9 Y177 L178M1-M5 HydrophobicContact CB-CE 4.38Å; M1-M5 HydrophobicContact CG-CE 3.96Å; M1-M5 HydrophobicContact CG-SD 4.36Å; M1-M5 PolarHBondContact O-N 2.94Å; E2-M5 PolarHBondContact O-N 3.43Å; M5-R7 VanDerWaalsContact C-N 3.34Å; M5-R7 PolarHBondContact O-N 3.03Å; M5-E8 WeakPolarHBondContact CA-OE2 3.49Å; M5-E8 PolarHBondContact N-OE2 2.82Å; M5-E8 PolarHBondContact O-N 3.36Å; M5-C9 WeakPolarHBondContact O-CB 3.3Å; M5-C9 PolarHBondContact O-N 3.05Å; M5-C9 PolarHBondContact O-SG 2.94Å; M5-Y177 HydrophobicContact CE-CD2 4.31Å; M5-Y177 HydrophobicContact CE-CG 3.98Å; M5-L178 HydrophobicContact SD-CD2 3.66Å; M5-L178 HydrophobicContact SD-CG 3.92Å
6E83.3Confident87.7Confident69 Ų6965.7 Ų65.732%0.32236%0.359SS..Hα-helixtrans-64.9-33.2176176.2157.5-125.300113.4E2 V4 S10 R134E2-E6 WeakPolarHBondContact O-CB 3.46Å; E2-E6 PolarHBondContact O-N 3.03Å; V4-E6 PolarHBondContact O-N 3.2Å; V4-E6 VanDerWaalsContact O-N 3.17Å; E6-S10 WeakPolarHBondContact O-CB 3.39Å; E6-S10 PolarHBondContact O-N 2.89Å; E6-S10 VanDerWaalsContact O-N 3.08Å; E6-S10 PolarHBondContact O-OG 3.03Å; E6-R134 IonicContact OE1-CZ 2.61Å; E6-R134 VanDerWaalsContact OE1-CZ 3.22Å; E6-R134 IonicContact OE1-NH1 3.61Å; E6-R134 PolarHBondContact OE1-NH1 3.14Å; E6-R134 IonicContact OE1-NH2 3.51Å; E6-R134 PolarHBondContact OE1-NH2 3.38Å
7R88.8Confident88.3Confident189 Ų18966.9 Ų66.971%0.71336%0.361SS*.Hα-helixtrans-71.8-41.6174.2-64.5174.2-176.9-175-0.1110.9T3 V4 M5 S10 A11T3-R7 WeakPolarHBondContact O-CD 3.16Å; T3-R7 WeakPolarHBondContact O-CG 3.47Å; T3-R7 PolarHBondContact O-NE 2.86Å; V4-R7 WeakPolarHBondContact O-CA 3.4Å; V4-R7 WeakPolarHBondContact O-CB 3.49Å; V4-R7 PolarHBondContact O-N 3.44Å; M5-R7 VanDerWaalsContact C-N 3.34Å; M5-R7 PolarHBondContact O-N 3.03Å; R7-S10 WeakPolarHBondContact O-CB 3.44Å; R7-S10 PolarHBondContact O-N 3.05Å; R7-A11 PolarHBondContact O-N 3.34Å
8E89.4Confident88.9Confident88 Ų8867.4 Ų67.441%0.41137%0.367SS..Hα-helixtrans-65.6-45.5179.2-70.2160.6147.500110.8V4 M5 S10 A11 L12V4-E8 PolarHBondContact O-N 2.9Å; V4-E8 VanDerWaalsContact O-N 3.08Å; M5-E8 WeakPolarHBondContact CA-OE2 3.49Å; M5-E8 PolarHBondContact N-OE2 2.82Å; M5-E8 PolarHBondContact O-N 3.36Å; E8-S10 VanDerWaalsContact C-N 3.29Å; E8-S10 PolarHBondContact O-N 3.41Å; E8-A11 PolarHBondContact O-N 2.65Å; E8-L12 WeakPolarHBondContact O-CB 3.41Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.38Å; E8-L12 PolarHBondContact O-N 3Å
9C92.3Very high89.4Confident0 Ų064.3 Ų64.30%035%0.351CS..Hα-helixtrans-56.8-41.2169.9-64.90000112.1M5 L12 G13 L180 E181 E184M5-C9 WeakPolarHBondContact O-CB 3.3Å; M5-C9 PolarHBondContact O-N 3.05Å; M5-C9 PolarHBondContact O-SG 2.94Å; C9-L12 PolarHBondContact O-N 3.42Å; C9-G13 PolarHBondContact O-N 3.22Å; C9-L180 HydrophobicContact CB-CD2 4.33Å; C9-L180 HydrophobicContact CB-CG 4.46Å; C9-E181 VanDerWaalsContact SG-CA 3.59Å; C9-E184 HydrophobicContact CB-CG 4.44Å
10S92.4Very high89.8Confident65 Ų6561.2 Ų61.246%0.45533%0.333SS..Hα-helixtrans-68.9-34.9179.1-58.10000112.7E6 R7 E8 G14E6-S10 WeakPolarHBondContact O-CB 3.39Å; E6-S10 PolarHBondContact O-N 2.89Å; E6-S10 VanDerWaalsContact O-N 3.08Å; E6-S10 PolarHBondContact O-OG 3.03Å; R7-S10 WeakPolarHBondContact O-CB 3.44Å; R7-S10 PolarHBondContact O-N 3.05Å; E8-S10 VanDerWaalsContact C-N 3.29Å; E8-S10 PolarHBondContact O-N 3.41Å; S10-G14 PolarHBondContact O-N 3.36Å
11A95.9Very high90.2Very high66 Ų6659.9 Ų59.955%0.54534%0.335SS..Hα-helixtrans-70.9-4217500000111.9R7 E8 G14 L15R7-A11 PolarHBondContact O-N 3.34Å; E8-A11 PolarHBondContact O-N 2.65Å; A11-G14 PolarHBondContact O-N 3.16Å; A11-L15 PolarHBondContact O-N 3.34Å
12L97.3Very high92Very high34 Ų3457.3 Ų57.318%0.17832%0.324CS..Hα-helixtrans-64.2-47.3176.1-70.2163.6000111.9E8 C9 G14 L15 F16 E181 E184 K185 V188E8-L12 WeakPolarHBondContact O-CB 3.41Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.38Å; E8-L12 PolarHBondContact O-N 3Å; C9-L12 PolarHBondContact O-N 3.42Å; L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 3Å; L12-F16 PolarHBondContact O-N 2.94Å; L12-E181 HydrophobicContact CD1-CG 4.37Å; L12-E184 HydrophobicContact CB-CB 3.75Å; L12-E184 HydrophobicContact CD1-CB 4.02Å; L12-K185 HydrophobicContact CD1-CG 3.68Å; L12-K185 HydrophobicContact CD2-CG 4.03Å; L12-V188 HydrophobicContact CB-CG2 4.27Å; L12-V188 HydrophobicContact CD2-CG2 4.21Å; L12-V188 VanDerWaalsContact O-CG2 3.22Å; L12-V188 WeakPolarHBondContact O-CG2 3.47Å
13G96.5Very high93.3Very high13 Ų1353.5 Ų53.513%0.13431%0.306CS..Hα-helixtrans-63.5-33.4175.500000112.9C9 Q17 E184C9-G13 PolarHBondContact O-N 3.22Å; G13-Q17 WeakPolarHBondContact O-CG 3.36Å; G13-Q17 PolarHBondContact O-N 3.46Å; G13-Q17 VanDerWaalsContact O-N 3.11Å; G13-E184 WeakPolarHBondContact CA-OE2 3.42Å
14G97.5Very high94.3Very high35 Ų3551.9 Ų51.936%0.36129%0.291SS..Hα-helixtrans-62.2-51.7169.900000112.3S10 A11 L12 F16 Q17 T18S10-G14 PolarHBondContact O-N 3.36Å; A11-G14 PolarHBondContact O-N 3.16Å; L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.14Å; G14-F16 VanDerWaalsContact C-N 3.34Å; G14-F16 PolarHBondContact O-N 2.96Å; G14-Q17 PolarHBondContact O-N 2.61Å; G14-Q17 VanDerWaalsContact O-N 3.17Å; G14-T18 PolarHBondContact O-N 2.98Å; G14-T18 PolarHBondContact O-OG1 3.27Å
15L98.3Very high95.1Very high79 Ų7951 Ų5141%0.41430%0.297SS..Hα-helixtrans-60.1-41177.3176.859.8000112.3A11 L12 Q17 T18 V19 V188A11-L15 PolarHBondContact O-N 3.34Å; L12-L15 PolarHBondContact O-N 3Å; L15-Q17 PolarHBondContact O-N 2.78Å; L15-T18 WeakPolarHBondContact O-CB 3.44Å; L15-T18 PolarHBondContact O-N 3.5Å; L15-V19 HydrophobicContact CD1-CG2 4.21Å; L15-V19 WeakPolarHBondContact O-CG2 3.37Å; L15-V19 PolarHBondContact O-N 2.89Å; L15-V188 HydrophobicContact CD2-CG1 3.81Å; L15-V188 HydrophobicContact CG-CG1 4.19Å
16F98.6Very high95.9Very high3 Ų351.9 Ų51.91%0.01330%0.304CS..Hα-helixtrans-58.5-47174175.3-94.2000111.6L12 G14 T18 V19 I20 H126 A187 V188 A191L12-F16 PolarHBondContact O-N 2.94Å; G14-F16 VanDerWaalsContact C-N 3.34Å; G14-F16 PolarHBondContact O-N 2.96Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 2.93Å; F16-V19 PolarHBondContact O-N 3.06Å; F16-I20 HydrophobicContact CD1-CG1 4.09Å; F16-I20 HydrophobicContact CD2-CG1 4.37Å; F16-I20 HydrophobicContact CE1-CD1 4.3Å; F16-I20 HydrophobicContact CE1-CG1 3.63Å; F16-I20 HydrophobicContact CE2-CD1 4.17Å; F16-I20 HydrophobicContact CE2-CG1 3.97Å; F16-I20 HydrophobicContact CG-CG1 4.44Å; F16-I20 HydrophobicContact CZ-CD1 3.78Å; F16-I20 HydrophobicContact CZ-CG1 3.57Å; F16-I20 WeakPolarHBondContact O-CB 3.43Å; F16-I20 VanDerWaalsContact O-CG1 3.25Å; F16-I20 WeakPolarHBondContact O-CG1 3.3Å; F16-I20 PolarHBondContact O-N 3.25Å; F16-H126 HydrophobicContact CD1-CB 4.08Å; F16-H126 AromaticContact CD1-CE1 3.69Å; F16-H126 AromaticContact CD1-CG 3.53Å; F16-H126 AromaticContact CD1-ND1 3.32Å; F16-H126 VanDerWaalsContact CD1-ND1 3.32Å; F16-H126 WeakPolarHBondContact CD1-ND1 3.43Å; F16-H126 HydrophobicContact CE1-CB 3.3Å; F16-H126 AromaticContact CE1-CG 3.29Å; F16-H126 AromaticContact CE1-ND1 3.33Å; F16-H126 VanDerWaalsContact CE1-ND1 3.33Å; F16-H126 WeakPolarHBondContact CE1-ND1 3.44Å; F16-H126 HydrophobicContact CE2-CB 4.25Å; F16-H126 HydrophobicContact CZ-CB 3.4Å; F16-H126 VanDerWaalsContact CZ-CB 3.4Å; F16-H126 AromaticContact CZ-CG 3.8Å; F16-A187 HydrophobicContact CD2-CB 3.81Å; F16-A187 WeakPolarHBondContact CD2-O 3.37Å; F16-A187 HydrophobicContact CE2-CB 4.02Å; F16-A187 HydrophobicContact CG-CB 4.38Å; F16-V188 HydrophobicContact CB-CG2 3.93Å; F16-A191 HydrophobicContact CD2-CB 3.73Å; F16-A191 HydrophobicContact CE2-CB 3.81Å
17Q98.3Very high96.6Very high86 Ų8650 Ų5040%0.40229%0.294SS..Hα-helixtrans-68.7-30.3178.8-73.4-68.9-43.400112.8G13 G14 L15 G21 D123G13-Q17 WeakPolarHBondContact O-CG 3.36Å; G13-Q17 PolarHBondContact O-N 3.46Å; G13-Q17 VanDerWaalsContact O-N 3.11Å; G14-Q17 PolarHBondContact O-N 2.61Å; G14-Q17 VanDerWaalsContact O-N 3.17Å; L15-Q17 PolarHBondContact O-N 2.78Å; Q17-G21 PolarHBondContact O-N 3.06Å; Q17-D123 PolarHBondContact NE2-OD1 3.24Å
18T98.5Very high97Very high77 Ų7745.1 Ų45.147%0.47229%0.287SS..Hα-helixtrans-61.3-56.6168.3-64.70000111G14 L15 F16 I20 G21 D22G14-T18 PolarHBondContact O-N 2.98Å; G14-T18 PolarHBondContact O-OG1 3.27Å; L15-T18 WeakPolarHBondContact O-CB 3.44Å; L15-T18 PolarHBondContact O-N 3.5Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 2.93Å; T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.07Å; T18-G21 CarbonylContact O-C 3.56Å; T18-G21 VanDerWaalsContact O-CA 3.31Å; T18-G21 WeakPolarHBondContact O-CA 3.3Å; T18-G21 PolarHBondContact O-N 3.18Å; T18-D22 VanDerWaalsContact CG2-OD2 3.31Å; T18-D22 WeakPolarHBondContact CG2-OD2 3.46Å; T18-D22 PolarHBondContact O-N 2.83Å
19V98.6Very high97.5Very high8 Ų846 Ų465%0.04830%0.298CS..Hα-helixtrans-61.8-38.5-177.9178.40000111.9L15 F16 G21 M23 A191 L192 E195L15-V19 HydrophobicContact CD1-CG2 4.21Å; L15-V19 WeakPolarHBondContact O-CG2 3.37Å; L15-V19 PolarHBondContact O-N 2.89Å; F16-V19 PolarHBondContact O-N 3.06Å; V19-G21 VanDerWaalsContact C-N 3.34Å; V19-M23 HydrophobicContact CG1-CE 4.23Å; V19-M23 VanDerWaalsContact O-CB 3.31Å; V19-M23 WeakPolarHBondContact O-CB 3.41Å; V19-M23 VanDerWaalsContact O-CG 3.31Å; V19-M23 WeakPolarHBondContact O-CG 3.47Å; V19-M23 PolarHBondContact O-N 3.23Å; V19-A191 HydrophobicContact CB-CB 4.26Å; V19-A191 HydrophobicContact CG1-CB 3.86Å; V19-L192 HydrophobicContact CG1-CD2 4.18Å; V19-L192 HydrophobicContact CG2-CD2 3.72Å; V19-L192 HydrophobicContact CG2-CG 4.4Å; V19-E195 HydrophobicContact CG1-CB 4.18Å
20I98.5Very high97.8Very high1 Ų147 Ų471%0.00530%0.302CS..Hα-helixtrans-64.5-38.3171.9-70.1-74.2000111.6F16 T18 M23 K24 L122 D123F16-I20 HydrophobicContact CD1-CG1 4.09Å; F16-I20 HydrophobicContact CD2-CG1 4.37Å; F16-I20 HydrophobicContact CE1-CD1 4.3Å; F16-I20 HydrophobicContact CE1-CG1 3.63Å; F16-I20 HydrophobicContact CE2-CD1 4.17Å; F16-I20 HydrophobicContact CE2-CG1 3.97Å; F16-I20 HydrophobicContact CG-CG1 4.44Å; F16-I20 HydrophobicContact CZ-CD1 3.78Å; F16-I20 HydrophobicContact CZ-CG1 3.57Å; F16-I20 WeakPolarHBondContact O-CB 3.43Å; F16-I20 VanDerWaalsContact O-CG1 3.25Å; F16-I20 WeakPolarHBondContact O-CG1 3.3Å; F16-I20 PolarHBondContact O-N 3.25Å; T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.07Å; I20-M23 HydrophobicContact CD1-CE 3.86Å; I20-K24 HydrophobicContact CG2-CD 4.06Å; I20-K24 WeakPolarHBondContact O-CB 3.43Å; I20-K24 WeakPolarHBondContact O-CD 3.47Å; I20-K24 VanDerWaalsContact O-CG 3.23Å; I20-K24 WeakPolarHBondContact O-CG 3.49Å; I20-K24 PolarHBondContact O-N 2.96Å; I20-K24 VanDerWaalsContact O-N 3.1Å; I20-L122 HydrophobicContact CD1-CB 3.98Å; I20-D123 HydrophobicContact CD1-CB 4.44Å; I20-D123 HydrophobicContact CG2-CB 3.97Å
21G98.3Very high98.1Very high35 Ų3547.4 Ų47.436%0.36130%0.299SS..Hα-helixtrans-63.6-49.6175.200000112.3Q17 T18 V19 K24 G25Q17-G21 PolarHBondContact O-N 3.06Å; T18-G21 CarbonylContact O-C 3.56Å; T18-G21 VanDerWaalsContact O-CA 3.31Å; T18-G21 WeakPolarHBondContact O-CA 3.3Å; T18-G21 PolarHBondContact O-N 3.18Å; V19-G21 VanDerWaalsContact C-N 3.34Å; G21-K24 CarbonylContact O-C 3.58Å; G21-K24 PolarHBondContact O-N 3.11Å; G21-K24 VanDerWaalsContact O-N 3.14Å; G21-G25 PolarHBondContact O-N 2.85Å
22D98.4Very high98.2Very high97 Ų9747.9 Ų47.952%0.51929%0.292SS..Hα-helixtrans-65.3-44-179.6-63.7-33.2000111.1T18 K24 G25 S26T18-D22 VanDerWaalsContact CG2-OD2 3.31Å; T18-D22 WeakPolarHBondContact CG2-OD2 3.46Å; T18-D22 PolarHBondContact O-N 2.83Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 3.22Å; D22-G25 CarbonylContact O-C 3.59Å; D22-G25 PolarHBondContact O-N 3.47Å; D22-G25 VanDerWaalsContact O-N 3.15Å; D22-S26 PolarHBondContact O-N 3.02Å
23M98.4Very high98.3Very high4 Ų449.8 Ų49.82%0.0230%0.299CS..Hα-helixtrans-57.5-37.3171.6-79.8-160.1-71.100113.1V19 I20 S26 A191 E194 E195 R198V19-M23 HydrophobicContact CG1-CE 4.23Å; V19-M23 VanDerWaalsContact O-CB 3.31Å; V19-M23 WeakPolarHBondContact O-CB 3.41Å; V19-M23 VanDerWaalsContact O-CG 3.31Å; V19-M23 WeakPolarHBondContact O-CG 3.47Å; V19-M23 PolarHBondContact O-N 3.23Å; I20-M23 HydrophobicContact CD1-CE 3.86Å; M23-S26 PolarHBondContact O-OG 2.92Å; M23-A191 HydrophobicContact CE-CB 4.4Å; M23-E194 HydrophobicContact CE-CB 4.44Å; M23-E194 HydrophobicContact CE-CG 4.01Å; M23-E194 HydrophobicContact SD-CB 4.29Å; M23-E194 HydrophobicContact SD-CG 3.61Å; M23-E195 HydrophobicContact CG-CB 3.92Å; M23-E195 HydrophobicContact CG-CG 4.15Å; M23-E195 VanDerWaalsContact SD-CA 3.6Å; M23-E195 HydrophobicContact SD-CB 3.77Å; M23-R198 PolarHBondContact O-NH1 3.3Å
24K98.2Very high98.4Very high60 Ų6049.8 Ų49.826%0.26130%0.296SS..Hα-helixtrans-78.3-30.9175.9-72.5171-178.3175.80113I20 G21 D22 S26 Y27 A119 N120 D123I20-K24 HydrophobicContact CG2-CD 4.06Å; I20-K24 WeakPolarHBondContact O-CB 3.43Å; I20-K24 WeakPolarHBondContact O-CD 3.47Å; I20-K24 VanDerWaalsContact O-CG 3.23Å; I20-K24 WeakPolarHBondContact O-CG 3.49Å; I20-K24 PolarHBondContact O-N 2.96Å; I20-K24 VanDerWaalsContact O-N 3.1Å; G21-K24 CarbonylContact O-C 3.58Å; G21-K24 PolarHBondContact O-N 3.11Å; G21-K24 VanDerWaalsContact O-N 3.14Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 3.22Å; K24-S26 VanDerWaalsContact C-N 3.29Å; K24-Y27 HydrophobicContact CB-CE2 4.12Å; K24-Y27 HydrophobicContact CG-CE2 4.23Å; K24-Y27 WeakPolarHBondContact O-CD2 3.38Å; K24-Y27 WeakPolarHBondContact O-CE2 3.31Å; K24-A119 HydrophobicContact CG-CB 4.44Å; K24-N120 WeakPolarHBondContact CE-OD1 3.31Å; K24-D123 IonicContact NZ-OD2 3.71Å; K24-D123 PolarHBondContact NZ-OD2 3.36Å
25G98.1Very high98.4Very high54 Ų5450.2 Ų50.256%0.55729%0.294SS*.Hα-helixtrans-72.6-21.1173.800000113.3G21 D22 Y27 P28G21-G25 PolarHBondContact O-N 2.85Å; D22-G25 CarbonylContact O-C 3.59Å; D22-G25 PolarHBondContact O-N 3.47Å; D22-G25 VanDerWaalsContact O-N 3.15Å; G25-Y27 PolarHBondContact O-N 3.45Å; G25-P28 WeakPolarHBondContact O-CD 3.34Å
26S97.9Very high98.4Very high27 Ų2751.9 Ų51.919%0.18930%0.297CS..THydrogen-bonded Turntrans-70.3-22-17874.80000115.2D22 M23 K24 V29 W30D22-S26 PolarHBondContact O-N 3.02Å; M23-S26 PolarHBondContact O-OG 2.92Å; K24-S26 VanDerWaalsContact C-N 3.29Å; S26-V29 WeakPolarHBondContact O-CB 3.3Å; S26-V29 PolarHBondContact O-N 3.21Å; S26-W30 VanDerWaalsContact O-CD1 3.29Å; S26-W30 PolarHBondContact O-N 3.43Å
27Y98.1Very high98.4Very high28 Ų2852 Ų5211%0.1130%0.299CS..Hα-helixtrans-55.8-45.5-169.5-54.7-48.6000114.7K24 G25 V29 W30 D31 M112 W115 K116K24-Y27 HydrophobicContact CB-CE2 4.12Å; K24-Y27 HydrophobicContact CG-CE2 4.23Å; K24-Y27 WeakPolarHBondContact O-CD2 3.38Å; K24-Y27 WeakPolarHBondContact O-CE2 3.31Å; G25-Y27 PolarHBondContact O-N 3.45Å; Y27-V29 PolarHBondContact O-N 3.12Å; Y27-V29 VanDerWaalsContact O-N 3.15Å; Y27-W30 PolarHBondContact O-N 2.99Å; Y27-W30 VanDerWaalsContact O-N 3.09Å; Y27-D31 PolarHBondContact O-N 2.8Å; Y27-M112 HydrophobicContact CD1-CE 4.13Å; Y27-M112 HydrophobicContact CG-CE 4.47Å; Y27-M112 WeakPolarHBondContact O-CE 3.23Å; Y27-W115 HydrophobicContact CE1-CB 4.42Å; Y27-W115 PolarHBondContact OH-O 2.92Å; Y27-K116 HydrophobicContact CD1-CG 3.99Å; Y27-K116 HydrophobicContact CD2-CG 4.05Å; Y27-K116 HydrophobicContact CE1-CG 3.72Å; Y27-K116 HydrophobicContact CE2-CG 3.77Å; Y27-K116 HydrophobicContact CG-CG 4.19Å
28P98.4Very high98.4Very high88 Ų8850.5 Ų50.557%0.57130%0.295SS*.Hα-helixtrans-61.9-25.2179.2-23.135.7000114.2G25 D32G25-P28 WeakPolarHBondContact O-CD 3.34Å; P28-D32 WeakPolarHBondContact O-CB 3.36Å; P28-D32 PolarHBondContact O-N 2.92Å
29V98.6Very high98.5Very high106 Ų10652.5 Ų52.564%0.64230%0.298SS*.Hα-helixtrans-73.5-41.6176.6-174.60000110.3S26 Y27 F33S26-V29 WeakPolarHBondContact O-CB 3.3Å; S26-V29 PolarHBondContact O-N 3.21Å; Y27-V29 PolarHBondContact O-N 3.12Å; Y27-V29 VanDerWaalsContact O-N 3.15Å; V29-F33 WeakPolarHBondContact O-CB 3.4Å; V29-F33 PolarHBondContact O-N 3.13Å
30W98.5Very high98.5Very high22 Ų2256.5 Ų56.58%0.08332%0.318CS..Hα-helixtrans-68.3-42.7173.8-64.7111.9000111.9S26 Y27 D32 F33 I34 L108 M112 W115 F199 F202S26-W30 VanDerWaalsContact O-CD1 3.29Å; S26-W30 PolarHBondContact O-N 3.43Å; Y27-W30 PolarHBondContact O-N 2.99Å; Y27-W30 VanDerWaalsContact O-N 3.09Å; W30-D32 PolarHBondContact O-N 3.25Å; W30-F33 PolarHBondContact O-N 2.95Å; W30-I34 WeakPolarHBondContact O-CD1 3.44Å; W30-I34 VanDerWaalsContact O-CG1 3.27Å; W30-I34 WeakPolarHBondContact O-CG1 3.22Å; W30-I34 PolarHBondContact O-N 2.99Å; W30-L108 HydrophobicContact CE3-CD1 4.22Å; W30-L108 HydrophobicContact CE3-CD2 4.27Å; W30-L108 HydrophobicContact CZ3-CD1 4.4Å; W30-M112 HydrophobicContact CB-CE 3.57Å; W30-M112 HydrophobicContact CB-SD 3.48Å; W30-M112 WeakPolarHBondContact CB-SD 3.46Å; W30-M112 HydrophobicContact CG-CE 4.48Å; W30-M112 HydrophobicContact CG-SD 4.01Å; W30-W115 HydrophobicContact CD2-CZ3 4.03Å; W30-W115 AromaticContact CE2-CZ3 3.97Å; W30-W115 HydrophobicContact CE3-CZ3 4.42Å; W30-W115 HydrophobicContact CG-CZ3 4.36Å; W30-W115 HydrophobicContact CZ2-CZ3 4.31Å; W30-F199 AromaticContact CH2-CD1 3.92Å; W30-F199 HydrophobicContact CH2-CD1 3.92Å; W30-F199 AromaticContact CH2-CE1 3.95Å; W30-F199 HydrophobicContact CH2-CE1 3.95Å; W30-F199 AromaticContact CZ2-CD1 3.92Å; W30-F199 HydrophobicContact CZ2-CD1 3.92Å; W30-F199 AromaticContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CZ 4.19Å; W30-F202 HydrophobicContact CH2-CB 3.97Å; W30-F202 HydrophobicContact CH2-CD1 4.24Å; W30-F202 HydrophobicContact CH2-CD2 4.35Å; W30-F202 AromaticContact CH2-CG 3.92Å; W30-F202 HydrophobicContact CH2-CG 3.92Å; W30-F202 HydrophobicContact CZ3-CB 4.07Å; W30-F202 HydrophobicContact CZ3-CD1 4.25Å; W30-F202 AromaticContact CZ3-CD2 3.67Å; W30-F202 HydrophobicContact CZ3-CD2 3.67Å; W30-F202 HydrophobicContact CZ3-CE2 4.15Å; W30-F202 AromaticContact CZ3-CG 3.72Å; W30-F202 HydrophobicContact CZ3-CG 3.72Å
31D98.4Very high98.5Very high72 Ų7256.9 Ų56.939%0.38532%0.32SS..Hα-helixtrans-63-39.7177.1-69.5-45.9000111.5Y27 S35 M112Y27-D31 PolarHBondContact O-N 2.8Å; D31-S35 WeakPolarHBondContact O-CB 3.37Å; D31-S35 PolarHBondContact O-N 3.14Å; D31-M112 WeakPolarHBondContact OD1-CE 3.32Å
32D98.6Very high98.5Very high77 Ų7758.5 Ų58.541%0.41232%0.323SS..Hα-helixtrans-69.4-39.9173.6-168.859000112.5P28 W30 S35 K36P28-D32 WeakPolarHBondContact O-CB 3.36Å; P28-D32 PolarHBondContact O-N 2.92Å; W30-D32 PolarHBondContact O-N 3.25Å; D32-S35 CarbonylContact O-C 3.58Å; D32-S35 WeakPolarHBondContact O-CA 3.25Å; D32-S35 VanDerWaalsContact O-CB 3.31Å; D32-S35 WeakPolarHBondContact O-CB 3.43Å; D32-S35 PolarHBondContact O-N 3.42Å; D32-S35 VanDerWaalsContact O-N 3.12Å; D32-K36 WeakPolarHBondContact O-CG 3.4Å; D32-K36 PolarHBondContact O-N 2.91Å; D32-K36 WeakPolarHBondContact OD1-CE 3.43Å; D32-K36 IonicContact OD1-NZ 3.63Å; D32-K36 PolarHBondContact OD1-NZ 2.69Å; D32-K36 WeakPolarHBondContact OD2-CE 3.1Å; D32-K36 IonicContact OD2-NZ 2.83Å; D32-K36 PolarHBondContact OD2-NZ 3.45Å
33F98.8Very high98.5Very high73 Ų7359.5 Ų59.532%0.3233%0.325SS..Hα-helixtrans-57.4-49.7173.8175-90000111.5V29 W30 S35 K36 A37 L104 L108 F202V29-F33 WeakPolarHBondContact O-CB 3.4Å; V29-F33 PolarHBondContact O-N 3.13Å; W30-F33 PolarHBondContact O-N 2.95Å; F33-S35 VanDerWaalsContact C-N 3.28Å; F33-S35 PolarHBondContact O-N 3.11Å; F33-K36 PolarHBondContact O-N 2.83Å; F33-K36 VanDerWaalsContact O-N 3.16Å; F33-A37 HydrophobicContact CE1-CB 4.45Å; F33-A37 WeakPolarHBondContact O-CB 3.44Å; F33-A37 PolarHBondContact O-N 3.36Å; F33-L104 HydrophobicContact CE1-CD2 4.45Å; F33-L104 HydrophobicContact CZ-CD2 4.3Å; F33-L108 HydrophobicContact CD1-CD2 3.66Å; F33-L108 HydrophobicContact CE1-CD2 3.74Å; F33-F202 HydrophobicContact CD1-CE2 4.43Å; F33-F202 AromaticContact CE1-CE2 3.7Å; F33-F202 HydrophobicContact CE1-CE2 3.7Å; F33-F202 HydrophobicContact CE1-CZ 4.4Å; F33-F202 HydrophobicContact CE2-CE2 4.39Å; F33-F202 HydrophobicContact CE2-CZ 4.31Å; F33-F202 AromaticContact CZ-CE2 3.68Å; F33-F202 HydrophobicContact CZ-CE2 3.68Å; F33-F202 AromaticContact CZ-CZ 3.95Å; F33-F202 HydrophobicContact CZ-CZ 3.95Å
34I98.6Very high98.5Very high14 Ų1460.5 Ų60.57%0.07233%0.33CS..Hα-helixtrans-57.5-44174.5-65.3160.5000109.6W30 K36 A37 T38 L108 Q109 M112W30-I34 WeakPolarHBondContact O-CD1 3.44Å; W30-I34 VanDerWaalsContact O-CG1 3.27Å; W30-I34 WeakPolarHBondContact O-CG1 3.22Å; W30-I34 PolarHBondContact O-N 2.99Å; I34-K36 PolarHBondContact O-N 2.95Å; I34-A37 PolarHBondContact O-N 3.23Å; I34-T38 PolarHBondContact O-N 2.9Å; I34-T38 PolarHBondContact O-OG1 2.96Å; I34-L108 HydrophobicContact CD1-CD2 4.43Å; I34-L108 HydrophobicContact CD1-CG 4.16Å; I34-L108 HydrophobicContact CG1-CD2 3.9Å; I34-L108 HydrophobicContact CG1-CG 4.13Å; I34-Q109 HydrophobicContact CD1-CB 4.37Å; I34-Q109 HydrophobicContact CG2-CB 4.48Å; I34-M112 HydrophobicContact CD1-CG 3.92Å
35S98.6Very high98.5Very high44 Ų4464.8 Ų64.831%0.30835%0.345SS..Hα-helixtrans-60.4-38.7177.1-161.30000113.6D31 D32 F33 K39D31-S35 WeakPolarHBondContact O-CB 3.37Å; D31-S35 PolarHBondContact O-N 3.14Å; D32-S35 CarbonylContact O-C 3.58Å; D32-S35 WeakPolarHBondContact O-CA 3.25Å; D32-S35 VanDerWaalsContact O-CB 3.31Å; D32-S35 WeakPolarHBondContact O-CB 3.43Å; D32-S35 PolarHBondContact O-N 3.42Å; D32-S35 VanDerWaalsContact O-N 3.12Å; F33-S35 VanDerWaalsContact C-N 3.28Å; F33-S35 PolarHBondContact O-N 3.11Å; S35-K39 VanDerWaalsContact O-CD 3.25Å; S35-K39 WeakPolarHBondContact O-CD 3.48Å; S35-K39 VanDerWaalsContact O-CG 3.27Å; S35-K39 WeakPolarHBondContact O-CG 3.24Å; S35-K39 PolarHBondContact O-N 3.43Å; S35-K39 PolarHBondContact OG-NZ 3.17Å
36K98.8Very high98.5Very high113 Ų11366 Ų6649%0.49134%0.341SS..Hα-helixtrans-71.8-43.7174.5-53.1-37.1-168.9-1470111.2D32 F33 I34 T38 K39 L40D32-K36 WeakPolarHBondContact O-CG 3.4Å; D32-K36 PolarHBondContact O-N 2.91Å; D32-K36 WeakPolarHBondContact OD1-CE 3.43Å; D32-K36 IonicContact OD1-NZ 3.63Å; D32-K36 PolarHBondContact OD1-NZ 2.69Å; D32-K36 WeakPolarHBondContact OD2-CE 3.1Å; D32-K36 IonicContact OD2-NZ 2.83Å; D32-K36 PolarHBondContact OD2-NZ 3.45Å; F33-K36 PolarHBondContact O-N 2.83Å; F33-K36 VanDerWaalsContact O-N 3.16Å; I34-K36 PolarHBondContact O-N 2.95Å; K36-T38 PolarHBondContact O-N 3.38Å; K36-K39 WeakPolarHBondContact O-CB 3.23Å; K36-K39 PolarHBondContact O-N 2.84Å; K36-L40 PolarHBondContact O-N 3.08Å
37A98.6Very high98.5Very high5 Ų568 Ų684%0.04135%0.352CS..Hα-helixtrans-60.2-47.6-178.400000111.2F33 I34 K39 L40 Q41 F100 I105F33-A37 HydrophobicContact CE1-CB 4.45Å; F33-A37 WeakPolarHBondContact O-CB 3.44Å; F33-A37 PolarHBondContact O-N 3.36Å; I34-A37 PolarHBondContact O-N 3.23Å; A37-K39 VanDerWaalsContact C-N 3.3Å; A37-K39 PolarHBondContact O-N 2.66Å; A37-L40 PolarHBondContact O-N 3.22Å; A37-Q41 WeakPolarHBondContact O-CB 3.44Å; A37-Q41 PolarHBondContact O-N 3.16Å; A37-F100 HydrophobicContact CB-CE1 4.33Å; A37-F100 HydrophobicContact CB-CE2 4.45Å; A37-F100 HydrophobicContact CB-CZ 3.77Å; A37-F100 WeakPolarHBondContact O-CE1 3.4Å; A37-I105 HydrophobicContact CB-CD1 3.88Å; A37-I105 HydrophobicContact CB-CG1 3.67Å
38T98.7Very high98.5Very high55 Ų5567 Ų6734%0.33735%0.349SS..Hα-helixtrans-60.7-36.5175.4-57.80000112.8I34 K36 T42 I105I34-T38 PolarHBondContact O-N 2.9Å; I34-T38 PolarHBondContact O-OG1 2.96Å; K36-T38 PolarHBondContact O-N 3.38Å; T38-T42 WeakPolarHBondContact O-CB 3.31Å; T38-T42 PolarHBondContact O-N 3.05Å; T38-T42 PolarHBondContact O-OG1 3.49Å; T38-I105 WeakPolarHBondContact OG1-CG2 3.32Å
39K98.7Very high98.6Very high120 Ų12067.6 Ų67.652%0.52235%0.351SS..Hα-helixtrans-67-45.4174.4-72.9164.9-175.2143.60111.5S35 K36 A37 T42 Q43S35-K39 VanDerWaalsContact O-CD 3.25Å; S35-K39 WeakPolarHBondContact O-CD 3.48Å; S35-K39 VanDerWaalsContact O-CG 3.27Å; S35-K39 WeakPolarHBondContact O-CG 3.24Å; S35-K39 PolarHBondContact O-N 3.43Å; S35-K39 PolarHBondContact OG-NZ 3.17Å; K36-K39 WeakPolarHBondContact O-CB 3.23Å; K36-K39 PolarHBondContact O-N 2.84Å; A37-K39 VanDerWaalsContact C-N 3.3Å; A37-K39 PolarHBondContact O-N 2.66Å; K39-T42 WeakPolarHBondContact O-CB 3.37Å; K39-T42 PolarHBondContact O-N 3.47Å; K39-Q43 WeakPolarHBondContact O-CG 3.48Å; K39-Q43 PolarHBondContact O-N 3.44Å
40L98.6Very high98.6Very high91 Ų9165.5 Ų65.548%0.47634%0.344SS..Hα-helixtrans-60.4-44.7174.6175.859000111.3K36 A37 T42 Q43 L44 F100K36-L40 PolarHBondContact O-N 3.08Å; A37-L40 PolarHBondContact O-N 3.22Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.43Å; L40-Q43 PolarHBondContact O-N 3.07Å; L40-Q43 VanDerWaalsContact O-N 3.15Å; L40-L44 HydrophobicContact CD1-CD1 4.2Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 3.94Å; L40-L44 HydrophobicContact CG-CG 4.38Å; L40-L44 VanDerWaalsContact O-CG 3.32Å; L40-L44 WeakPolarHBondContact O-CG 3.4Å; L40-L44 PolarHBondContact O-N 2.75Å; L40-F100 HydrophobicContact CB-CE1 4.11Å; L40-F100 HydrophobicContact CD2-CE1 3.97Å; L40-F100 HydrophobicContact CD2-CZ 3.9Å; L40-F100 HydrophobicContact CG-CE1 3.98Å; L40-F100 HydrophobicContact CG-CZ 4.41Å
41Q98.4Very high98.6Very high9 Ų966.5 Ų66.54%0.04235%0.353CS..Hα-helixtrans-58.1-44.2176.6-157.6-79-16.800111.6A37 Q43 L44 R45 S97 F100 L101 I105A37-Q41 WeakPolarHBondContact O-CB 3.44Å; A37-Q41 PolarHBondContact O-N 3.16Å; Q41-Q43 PolarHBondContact O-N 3.07Å; Q41-L44 PolarHBondContact O-N 2.85Å; Q41-R45 WeakPolarHBondContact O-CG 3.34Å; Q41-R45 PolarHBondContact O-N 2.92Å; Q41-R45 VanDerWaalsContact OE1-CD 3.23Å; Q41-S97 PolarHBondContact NE2-O 2.67Å; Q41-S97 PolarHBondContact NE2-OG 3.27Å; Q41-F100 HydrophobicContact CB-CD1 3.83Å; Q41-F100 HydrophobicContact CB-CE1 4.06Å; Q41-F100 HydrophobicContact CG-CD1 3.92Å; Q41-L101 HydrophobicContact CG-CB 4.01Å; Q41-L101 HydrophobicContact CG-CD1 4.44Å; Q41-I105 HydrophobicContact CB-CD1 3.78Å; Q41-I105 HydrophobicContact CG-CD1 4.02Å
42T98.6Very high98.6Very high70 Ų7063.9 Ų63.943%0.42934%0.342SS..Hα-helixtrans-62.3-40.8176.1-55.30000112.2T38 K39 L40 T46T38-T42 WeakPolarHBondContact O-CB 3.31Å; T38-T42 PolarHBondContact O-N 3.05Å; T38-T42 PolarHBondContact O-OG1 3.49Å; K39-T42 WeakPolarHBondContact O-CB 3.37Å; K39-T42 PolarHBondContact O-N 3.47Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.43Å; T42-T46 PolarHBondContact O-N 3.44Å; T42-T46 PolarHBondContact O-OG1 3.03Å
43Q98.6Very high98.6Very high118 Ų11863.2 Ų63.255%0.55135%0.346SS*.Hα-helixtrans-68.5-43.3175.2-65-54.2-50.300111.8K39 L40 Q41 R45 T46 T47K39-Q43 WeakPolarHBondContact O-CG 3.48Å; K39-Q43 PolarHBondContact O-N 3.44Å; L40-Q43 PolarHBondContact O-N 3.07Å; L40-Q43 VanDerWaalsContact O-N 3.15Å; Q41-Q43 PolarHBondContact O-N 3.07Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 PolarHBondContact O-N 2.68Å; Q43-T46 CarbonylContact O-C 3.46Å; Q43-T46 WeakPolarHBondContact O-CA 3.32Å; Q43-T46 WeakPolarHBondContact O-CB 3.49Å; Q43-T46 PolarHBondContact O-N 3.18Å; Q43-T47 PolarHBondContact O-N 3.15Å; Q43-T47 PolarHBondContact O-OG1 3.03Å
44L98.4Very high98.6Very high24 Ų2465.2 Ų65.213%0.12636%0.355CS..Hα-helixtrans-56-45.5175.9-72.4164.7000111.9L40 Q41 T46 T47 V48 L93 F96 F100L40-L44 HydrophobicContact CD1-CD1 4.2Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 3.94Å; L40-L44 HydrophobicContact CG-CG 4.38Å; L40-L44 VanDerWaalsContact O-CG 3.32Å; L40-L44 WeakPolarHBondContact O-CG 3.4Å; L40-L44 PolarHBondContact O-N 2.75Å; Q41-L44 PolarHBondContact O-N 2.85Å; L44-T46 VanDerWaalsContact C-N 3.27Å; L44-T46 PolarHBondContact O-N 3.41Å; L44-T47 PolarHBondContact O-N 3.03Å; L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.11Å; L44-L93 HydrophobicContact CD2-CD1 4.01Å; L44-F96 HydrophobicContact CD1-CD1 4.22Å; L44-F96 HydrophobicContact CD1-CE1 3.69Å; L44-F96 HydrophobicContact CD2-CE1 4.24Å; L44-F100 HydrophobicContact CD1-CD1 4.16Å; L44-F100 HydrophobicContact CD1-CE1 4.46Å
45R98.3Very high98.6Very high151 Ų15164.6 Ų64.657%0.5735%0.352SS*.Hα-helixtrans-58.8-38.3173.9-69.1179.372.7153.45.8112.6Q41 Q43 V49 S97Q41-R45 WeakPolarHBondContact O-CG 3.34Å; Q41-R45 PolarHBondContact O-N 2.92Å; Q41-R45 VanDerWaalsContact OE1-CD 3.23Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 PolarHBondContact O-N 2.68Å; R45-V49 PolarHBondContact O-N 3.19Å; R45-S97 WeakPolarHBondContact CG-OG 3.47Å
46T98.6Very high98.6Very high79 Ų7966 Ų6649%0.48536%0.356SS..Hα-helixtrans-69.9-43.1178.1-52.50000110.9T42 Q43 L44 V48 V49 A50T42-T46 PolarHBondContact O-N 3.44Å; T42-T46 PolarHBondContact O-OG1 3.03Å; Q43-T46 CarbonylContact O-C 3.46Å; Q43-T46 WeakPolarHBondContact O-CA 3.32Å; Q43-T46 WeakPolarHBondContact O-CB 3.49Å; Q43-T46 PolarHBondContact O-N 3.18Å; L44-T46 VanDerWaalsContact C-N 3.27Å; L44-T46 PolarHBondContact O-N 3.41Å; T46-V48 PolarHBondContact O-N 3.08Å; T46-V49 PolarHBondContact O-N 2.92Å; T46-A50 PolarHBondContact O-N 2.96Å
47T98.6Very high98.6Very high68 Ų6863 Ų6342%0.41735%0.353SS..Hα-helixtrans-60-43.8174.6-59.20000111.9Q43 L44 V49 A50 V51 L93Q43-T47 PolarHBondContact O-N 3.15Å; Q43-T47 PolarHBondContact O-OG1 3.03Å; L44-T47 PolarHBondContact O-N 3.03Å; T47-V49 VanDerWaalsContact C-N 3.32Å; T47-V49 PolarHBondContact O-N 3.45Å; T47-A50 PolarHBondContact O-N 3.42Å; T47-A50 VanDerWaalsContact O-N 3.16Å; T47-V51 HydrophobicContact CG2-CG2 4.13Å; T47-V51 WeakPolarHBondContact O-CB 3.2Å; T47-V51 VanDerWaalsContact O-CG2 3.31Å; T47-V51 WeakPolarHBondContact O-CG2 3.35Å; T47-V51 PolarHBondContact O-N 3.26Å; T47-L93 HydrophobicContact CG2-CD2 4.31Å
48V98.4Very high98.6Very high7 Ų765.2 Ų65.24%0.04236%0.361CS..Hα-helixtrans-56.7-44.5176.6166.50000111.7L44 T46 V51 A52 E90 L93 R94L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.11Å; T46-V48 PolarHBondContact O-N 3.08Å; V48-V51 PolarHBondContact O-N 3.42Å; V48-A52 WeakPolarHBondContact O-CB 3.23Å; V48-A52 PolarHBondContact O-N 3.24Å; V48-E90 HydrophobicContact CG1-CG 4.42Å; V48-E90 WeakPolarHBondContact CG1-OE1 3.45Å; V48-L93 HydrophobicContact CG2-CB 4.19Å; V48-L93 HydrophobicContact CG2-CD2 3.85Å; V48-L93 HydrophobicContact CG2-CG 3.73Å; V48-R94 HydrophobicContact CG1-CB 3.9Å; V48-R94 HydrophobicContact CG1-CG 4.02Å; V48-R94 HydrophobicContact CG2-CB 4.28Å
49V98.5Very high98.6Very high102 Ų10263.9 Ų63.962%0.61835%0.351SS*.Hα-helixtrans-65.5-41.5176.8175.10000111.6R45 T46 T47 A52 A53R45-V49 PolarHBondContact O-N 3.19Å; T46-V49 PolarHBondContact O-N 2.92Å; T47-V49 VanDerWaalsContact C-N 3.32Å; T47-V49 PolarHBondContact O-N 3.45Å; V49-A52 PolarHBondContact O-N 3.33Å; V49-A53 PolarHBondContact O-N 3.2Å; V49-A53 VanDerWaalsContact O-N 3.11Å
50A98.8Very high98.6Very high61 Ų6164.8 Ų64.850%0.50436%0.355SS..Hα-helixtrans-65.5-40.6177.200000112.5T46 T47 A53 F54T46-A50 PolarHBondContact O-N 2.96Å; T47-A50 PolarHBondContact O-N 3.42Å; T47-A50 VanDerWaalsContact O-N 3.16Å; A50-A53 PolarHBondContact O-N 3Å; A50-F54 WeakPolarHBondContact O-CB 3.14Å; A50-F54 PolarHBondContact O-N 3.49Å
51V98.4Very high98.6Very high44 Ų4464.8 Ų64.827%0.26736%0.358SS..Hα-helixtrans-64.9-45.1175.8171.70000110.7T47 V48 A53 F54 L55 E90T47-V51 HydrophobicContact CG2-CG2 4.13Å; T47-V51 WeakPolarHBondContact O-CB 3.2Å; T47-V51 VanDerWaalsContact O-CG2 3.31Å; T47-V51 WeakPolarHBondContact O-CG2 3.35Å; T47-V51 PolarHBondContact O-N 3.26Å; V48-V51 PolarHBondContact O-N 3.42Å; V51-A53 PolarHBondContact O-N 3.17Å; V51-F54 WeakPolarHBondContact O-CB 3.39Å; V51-F54 PolarHBondContact O-N 2.94Å; V51-L55 HydrophobicContact CG1-CD1 3.86Å; V51-L55 HydrophobicContact CG1-CG 4.27Å; V51-L55 VanDerWaalsContact O-CG 3.3Å; V51-L55 WeakPolarHBondContact O-CG 3.16Å; V51-L55 PolarHBondContact O-N 3.36Å; V51-E90 HydrophobicContact CB-CG 4.34Å; V51-E90 HydrophobicContact CG1-CB 3.98Å; V51-E90 HydrophobicContact CG1-CG 3.91Å
52A98.5Very high98.6Very high17 Ų1764.3 Ų64.314%0.1436%0.356CS..Hα-helixtrans-57.9-47.9176.600000111.9V48 V49 F54 L55 D56 E90V48-A52 WeakPolarHBondContact O-CB 3.23Å; V48-A52 PolarHBondContact O-N 3.24Å; V49-A52 PolarHBondContact O-N 3.33Å; A52-F54 VanDerWaalsContact C-N 3.35Å; A52-F54 PolarHBondContact O-N 3.45Å; A52-L55 PolarHBondContact O-N 2.85Å; A52-L55 VanDerWaalsContact O-N 3.17Å; A52-D56 PolarHBondContact O-N 3.01Å; A52-E90 HydrophobicContact CB-CG 4.42Å
53A98.7Very high98.6Very high62 Ų6264.1 Ų64.151%0.51235%0.353SS..Hα-helixtrans-63.8-36.7177.300000113.1V49 A50 V51 A57V49-A53 PolarHBondContact O-N 3.2Å; V49-A53 VanDerWaalsContact O-N 3.11Å; A50-A53 PolarHBondContact O-N 3Å; V51-A53 PolarHBondContact O-N 3.17Å; A53-A57 PolarHBondContact O-N 2.98Å
54F98.8Very high98.6Very high115 Ų11564.5 Ų64.550%0.50436%0.358SS..Hα-helixtrans-63.4-43171.6164.8-101.2000111.8A50 V51 A52 D56 A57 F58A50-F54 WeakPolarHBondContact O-CB 3.14Å; A50-F54 PolarHBondContact O-N 3.49Å; V51-F54 WeakPolarHBondContact O-CB 3.39Å; V51-F54 PolarHBondContact O-N 2.94Å; A52-F54 VanDerWaalsContact C-N 3.35Å; A52-F54 PolarHBondContact O-N 3.45Å; F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 PolarHBondContact O-N 3.27Å; F54-A57 CarbonylContact O-C 3.59Å; F54-A57 WeakPolarHBondContact O-CA 3.3Å; F54-A57 WeakPolarHBondContact O-CB 3.39Å; F54-A57 PolarHBondContact O-N 2.74Å; F54-F58 HydrophobicContact CE1-CD2 4.23Å; F54-F58 AromaticContact CZ-CD2 3.85Å; F54-F58 HydrophobicContact CZ-CD2 3.85Å; F54-F58 PolarHBondContact O-N 3.12Å
55L98.6Very high98.6Very high1 Ų164.1 Ų64.11%0.00536%0.358CS..Hα-helixtrans-70-29.7179.8-65.9175.2000112.9V51 A52 A57 F58 Q59 C83 H86 R87 E90V51-L55 HydrophobicContact CG1-CD1 3.86Å; V51-L55 HydrophobicContact CG1-CG 4.27Å; V51-L55 VanDerWaalsContact O-CG 3.3Å; V51-L55 WeakPolarHBondContact O-CG 3.16Å; V51-L55 PolarHBondContact O-N 3.36Å; A52-L55 PolarHBondContact O-N 2.85Å; A52-L55 VanDerWaalsContact O-N 3.17Å; L55-A57 VanDerWaalsContact C-N 3.26Å; L55-A57 PolarHBondContact O-N 2.92Å; L55-F58 PolarHBondContact O-N 2.68Å; L55-Q59 WeakPolarHBondContact O-CB 3.43Å; L55-Q59 PolarHBondContact O-N 3.17Å; L55-C83 PolarHBondContact O-SG 2.99Å; L55-H86 HydrophobicContact CD1-CB 3.8Å; L55-H86 HydrophobicContact CD2-CB 3.45Å; L55-H86 VanDerWaalsContact CD2-CB 3.45Å; L55-H86 HydrophobicContact CG-CB 4.27Å; L55-R87 HydrophobicContact CB-CG 4.4Å; L55-R87 HydrophobicContact CD1-CG 3.84Å; L55-R87 PolarHBondContact O-NH2 3.08Å; L55-E90 HydrophobicContact CD1-CB 4.3Å
56D98.7Very high98.5Very high75 Ų7559 Ų5940%0.40134%0.344SS..Hα-helixtrans-70.3-20169.2-69.5-17.1000113.2A52 F54 K60 R87A52-D56 PolarHBondContact O-N 3.01Å; F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 PolarHBondContact O-N 3.27Å; D56-K60 WeakPolarHBondContact O-CD 3.34Å; D56-K60 VanDerWaalsContact O-CE 3.3Å; D56-K60 WeakPolarHBondContact O-CE 3.44Å; D56-K60 WeakPolarHBondContact O-CG 3.24Å; D56-K60 PolarHBondContact O-NZ 3.44Å; D56-R87 IonicContact OD1-CZ 2.95Å; D56-R87 VanDerWaalsContact OD1-CZ 3.23Å; D56-R87 IonicContact OD1-NH1 2.8Å; D56-R87 PolarHBondContact OD1-NH1 3.08Å; D56-R87 IonicContact OD1-NH2 3.43Å; D56-R87 PolarHBondContact OD1-NH2 2.87Å
57A98.8Very high98.4Very high50 Ų5061.9 Ų61.941%0.41336%0.356SS..Hα-helixtrans-86-41.7169.100000111.5A53 F54 L55 Q59 K60 V61A53-A57 PolarHBondContact O-N 2.98Å; F54-A57 CarbonylContact O-C 3.59Å; F54-A57 WeakPolarHBondContact O-CA 3.3Å; F54-A57 WeakPolarHBondContact O-CB 3.39Å; F54-A57 PolarHBondContact O-N 2.74Å; L55-A57 VanDerWaalsContact C-N 3.26Å; L55-A57 PolarHBondContact O-N 2.92Å; A57-Q59 PolarHBondContact O-N 3.33Å; A57-K60 PolarHBondContact O-N 2.89Å; A57-V61 PolarHBondContact O-N 2.72Å
58F98.8Very high98.3Very high50 Ų5060.8 Ų60.822%0.21935%0.351CS..Hα-helixtrans-58.7-45.9176.7-169.9-73.1000111.6F54 L55 K60 V61 A62 L79 M82 C83F54-F58 HydrophobicContact CE1-CD2 4.23Å; F54-F58 AromaticContact CZ-CD2 3.85Å; F54-F58 HydrophobicContact CZ-CD2 3.85Å; F54-F58 PolarHBondContact O-N 3.12Å; L55-F58 PolarHBondContact O-N 2.68Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.14Å; F58-V61 WeakPolarHBondContact O-CB 3.49Å; F58-V61 PolarHBondContact O-N 2.89Å; F58-A62 PolarHBondContact O-N 3.37Å; F58-A62 VanDerWaalsContact O-N 3.07Å; F58-L79 HydrophobicContact CE1-CB 4.23Å; F58-L79 HydrophobicContact CE1-CD2 4.24Å; F58-L79 WeakPolarHBondContact CE1-O 3.41Å; F58-L79 HydrophobicContact CZ-CD2 3.9Å; F58-M82 HydrophobicContact CZ-CB 4.49Å; F58-M82 HydrophobicContact CZ-CG 4.26Å; F58-C83 HydrophobicContact CD1-CB 3.65Å; F58-C83 HydrophobicContact CE1-CB 3.97Å
59Q98.6Very high98Very high27 Ų2769.2 Ų69.213%0.12638%0.382CS..Hα-helixtrans-60-38.2179.9-171.856.550.700111.6L55 A57 V61 A62 D63 T80 C83L55-Q59 WeakPolarHBondContact O-CB 3.43Å; L55-Q59 PolarHBondContact O-N 3.17Å; A57-Q59 PolarHBondContact O-N 3.33Å; Q59-V61 VanDerWaalsContact C-N 3.25Å; Q59-V61 PolarHBondContact O-N 3.27Å; Q59-A62 CarbonylContact O-C 3.59Å; Q59-A62 WeakPolarHBondContact O-CA 3.44Å; Q59-A62 WeakPolarHBondContact O-CB 3.48Å; Q59-A62 PolarHBondContact O-N 2.91Å; Q59-D63 PolarHBondContact NE2-OD1 3.36Å; Q59-D63 WeakPolarHBondContact O-CB 3.22Å; Q59-D63 PolarHBondContact O-N 2.98Å; Q59-T80 PolarHBondContact NE2-OG1 2.65Å; Q59-T80 VanDerWaalsContact NE2-OG1 3.11Å; Q59-C83 VanDerWaalsContact OE1-CB 3.29Å
60K98.7Very high97.7Very high140 Ų14064.9 Ų64.961%0.60936%0.358SS*.Hα-helixtrans-62.1-31.5176.9-64.9169.3-176.3121.20113D56 A57 F58 L64D56-K60 WeakPolarHBondContact O-CD 3.34Å; D56-K60 VanDerWaalsContact O-CE 3.3Å; D56-K60 WeakPolarHBondContact O-CE 3.44Å; D56-K60 WeakPolarHBondContact O-CG 3.24Å; D56-K60 PolarHBondContact O-NZ 3.44Å; A57-K60 PolarHBondContact O-N 2.89Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.14Å; K60-L64 WeakPolarHBondContact O-CB 3.4Å; K60-L64 PolarHBondContact O-N 3.05Å
61V98.7Very high97.4Very high90 Ų9062.3 Ų62.355%0.54534%0.338SS..Hα-helixtrans-72.9-41.2173.5-1790000110.6A57 F58 Q59 L64 A65A57-V61 PolarHBondContact O-N 2.72Å; F58-V61 WeakPolarHBondContact O-CB 3.49Å; F58-V61 PolarHBondContact O-N 2.89Å; Q59-V61 VanDerWaalsContact C-N 3.25Å; Q59-V61 PolarHBondContact O-N 3.27Å; V61-L64 PolarHBondContact O-N 3.3Å; V61-A65 PolarHBondContact O-N 3.16Å; V61-A65 VanDerWaalsContact O-N 3.11Å
62A98.4Very high97.3Very high0 Ų063.1 Ų63.10%034%0.343CS..Hα-helixtrans-62.7-41.2173.700000112F58 Q59 A65 T66 G76 L79 T80F58-A62 PolarHBondContact O-N 3.37Å; F58-A62 VanDerWaalsContact O-N 3.07Å; Q59-A62 CarbonylContact O-C 3.59Å; Q59-A62 WeakPolarHBondContact O-CA 3.44Å; Q59-A62 WeakPolarHBondContact O-CB 3.48Å; Q59-A62 PolarHBondContact O-N 2.91Å; A62-A65 PolarHBondContact O-N 3.22Å; A62-T66 WeakPolarHBondContact O-CB 3.33Å; A62-T66 PolarHBondContact O-N 3.43Å; A62-T66 PolarHBondContact O-OG1 2.88Å; A62-G76 WeakPolarHBondContact O-CA 3.32Å; A62-L79 HydrophobicContact CB-CB 3.56Å; A62-T80 WeakPolarHBondContact CB-OG1 3.38Å
63D98.6Very high97.2Very high65 Ų6568.8 Ų68.835%0.34836%0.361SS..Hα-helixtrans-64.4-43.5176.1-62-28.9000111.1Q59 A65 T66 N67Q59-D63 PolarHBondContact NE2-OD1 3.36Å; Q59-D63 WeakPolarHBondContact O-CB 3.22Å; Q59-D63 PolarHBondContact O-N 2.98Å; D63-A65 VanDerWaalsContact C-N 3.34Å; D63-A65 PolarHBondContact O-N 2.83Å; D63-T66 PolarHBondContact O-N 3.08Å; D63-N67 WeakPolarHBondContact O-CB 3.38Å; D63-N67 PolarHBondContact O-N 2.85Å; D63-N67 PolarHBondContact O-ND2 2.68Å
64L98.5Very high97.1Very high127 Ų12768 Ų6867%0.66535%0.348SS*.Hα-helixtrans-60.1-43.3176.7179.462.5000111.7K60 V61 S68K60-L64 WeakPolarHBondContact O-CB 3.4Å; K60-L64 PolarHBondContact O-N 3.05Å; V61-L64 PolarHBondContact O-N 3.3Å; L64-S68 PolarHBondContact O-N 2.93Å; L64-S68 PolarHBondContact O-OG 2.91Å
65A97.9Very high97Very high15 Ų1564.5 Ų64.512%0.12433%0.334CS..Hα-helixtrans-66.9-40.4173.300000111.9V61 A62 D63 N67 S68 T72 R73 G76V61-A65 PolarHBondContact O-N 3.16Å; V61-A65 VanDerWaalsContact O-N 3.11Å; A62-A65 PolarHBondContact O-N 3.22Å; D63-A65 VanDerWaalsContact C-N 3.34Å; D63-A65 PolarHBondContact O-N 2.83Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 2.8Å; A65-S68 WeakPolarHBondContact O-CB 3.39Å; A65-S68 PolarHBondContact O-N 2.95Å; A65-T72 HydrophobicContact CB-CG2 4.33Å; A65-T72 CarbonylContact O-C 3.42Å; A65-R73 WeakPolarHBondContact O-CA 3.42Å; A65-G76 VanDerWaalsContact CB-CA 3.47Å
66T97.6Very high97Very high44 Ų4464.4 Ų64.427%0.2733%0.334SS..Hα-helixtrans-66.4-31.6178.9-54.70000112.6A62 D63 S68 R73 G76 S77A62-T66 WeakPolarHBondContact O-CB 3.33Å; A62-T66 PolarHBondContact O-N 3.43Å; A62-T66 PolarHBondContact O-OG1 2.88Å; D63-T66 PolarHBondContact O-N 3.08Å; T66-S68 VanDerWaalsContact C-N 3.26Å; T66-S68 PolarHBondContact O-N 3.17Å; T66-R73 WeakPolarHBondContact O-CG 3.35Å; T66-G76 WeakPolarHBondContact OG1-CA 3.45Å; T66-G76 PolarHBondContact OG1-O 3.31Å; T66-S77 PolarHBondContact OG1-N 3.43Å
67N96.7Very high96.9Very high139 Ų13963 Ų6374%0.74333%0.329SS*.THydrogen-bonded Turntrans-82.2-0.4173.8-72-72.1000113.5D63 A65D63-N67 WeakPolarHBondContact O-CB 3.38Å; D63-N67 PolarHBondContact O-N 2.85Å; D63-N67 PolarHBondContact O-ND2 2.68Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 2.8Å
68S95.1Very high96.9Very high46 Ų4660.6 Ų60.632%0.32231%0.31SS..SBendtrans-81.1174.4173.3-60.50000111.9L64 A65 T66L64-S68 PolarHBondContact O-N 2.93Å; L64-S68 PolarHBondContact O-OG 2.91Å; A65-S68 WeakPolarHBondContact O-CB 3.39Å; A65-S68 PolarHBondContact O-N 2.95Å; T66-S68 VanDerWaalsContact C-N 3.26Å; T66-S68 PolarHBondContact O-N 3.17Å
69R92.3Very high96.8Very high183 Ų18359.8 Ų59.869%0.69131%0.307SS*.SBendtrans-102.2157.2179.8-61-173.2-179.3-155.90.4112V247R69-V247 HydrophobicContact CB-CG1 4.28Å
70G92.3Very high96.8Very high11 Ų1160.4 Ų60.411%0.11331%0.313CS..THydrogen-bonded Turntrans63.3-150.4178.200000113T72 R73 S243 S244G70-T72 PolarHBondContact O-N 2.84Å; G70-R73 WeakPolarHBondContact O-CB 3.48Å; G70-R73 PolarHBondContact O-N 3.33Å; G70-S243 WeakPolarHBondContact CA-O 3.36Å; G70-S244 WeakPolarHBondContact CA-OG 3.41Å
71G92.9Very high96.7Very high7 Ų758.8 Ų58.87%0.07230%0.303CS..Hα-helixtrans-57.7-22-175.900000115.3R73 D74 I75 S243 S244G71-R73 PolarHBondContact O-N 2.94Å; G71-D74 WeakPolarHBondContact O-CB 3.37Å; G71-D74 PolarHBondContact O-N 3.49Å; G71-I75 PolarHBondContact O-N 3.23Å; G71-I75 VanDerWaalsContact O-N 3.12Å; G71-S243 VanDerWaalsContact CA-OG 3.28Å; G71-S243 WeakPolarHBondContact CA-OG 3.37Å; G71-S243 PolarHBondContact N-OG 3.42Å; G71-S244 PolarHBondContact N-OG 2.92Å
72T96.5Very high96.7Very high62 Ų6255.2 Ų55.238%0.3828%0.281SS..Hα-helixtrans-61.1-31.9174.7-47.90000112.4A65 G70 D74 I75 G76A65-T72 HydrophobicContact CB-CG2 4.33Å; A65-T72 CarbonylContact O-C 3.42Å; G70-T72 PolarHBondContact O-N 2.84Å; T72-D74 VanDerWaalsContact C-N 3.29Å; T72-D74 PolarHBondContact O-N 3.33Å; T72-I75 PolarHBondContact O-N 2.84Å; T72-G76 PolarHBondContact O-N 3.1Å
73R96.2Very high96.6Very high135 Ų13555.2 Ų55.251%0.50928%0.281SS..Hα-helixtrans-63.4-37.5173-179.6-176.970.4176.10.4111.9A65 T66 G70 G71 G76 S77A65-R73 WeakPolarHBondContact O-CA 3.42Å; T66-R73 WeakPolarHBondContact O-CG 3.35Å; G70-R73 WeakPolarHBondContact O-CB 3.48Å; G70-R73 PolarHBondContact O-N 3.33Å; G71-R73 PolarHBondContact O-N 2.94Å; R73-G76 PolarHBondContact O-N 3.22Å; R73-S77 WeakPolarHBondContact O-CB 3.45Å; R73-S77 PolarHBondContact O-N 2.84Å; R73-S77 PolarHBondContact O-OG 2.77Å
74D96.1Very high96.6Very high46 Ų4657.4 Ų57.425%0.24629%0.29CS..Hα-helixtrans-74.5-36.4-175.8-48.9-35.2000109.6G71 T72 S77 A78 L233G71-D74 WeakPolarHBondContact O-CB 3.37Å; G71-D74 PolarHBondContact O-N 3.49Å; T72-D74 VanDerWaalsContact C-N 3.29Å; T72-D74 PolarHBondContact O-N 3.33Å; D74-S77 WeakPolarHBondContact O-CB 3.45Å; D74-S77 PolarHBondContact O-N 2.92Å; D74-A78 PolarHBondContact O-N 3.19Å; D74-L233 HydrophobicContact CB-CD2 4.13Å
75I97.5Very high96.4Very high41 Ų4156.1 Ų56.121%0.2128%0.276CS..Hα-helixtrans-57.9-50.7165.6-61.3168.6000110.8G71 T72 S77 A78 L79 L230 L233 T234G71-I75 PolarHBondContact O-N 3.23Å; G71-I75 VanDerWaalsContact O-N 3.12Å; T72-I75 PolarHBondContact O-N 2.84Å; I75-S77 VanDerWaalsContact C-N 3.27Å; I75-S77 PolarHBondContact O-N 3.2Å; I75-A78 PolarHBondContact O-N 3.49Å; I75-A78 VanDerWaalsContact O-N 3.11Å; I75-L79 HydrophobicContact CG2-CD1 4.05Å; I75-L79 HydrophobicContact CG2-CG 4.32Å; I75-L79 WeakPolarHBondContact O-CG 3.03Å; I75-L79 PolarHBondContact O-N 3.39Å; I75-L230 HydrophobicContact CG2-CD2 4.36Å; I75-L233 WeakPolarHBondContact CD1-O 3.46Å; I75-L233 HydrophobicContact CG1-CB 3.97Å; I75-L233 WeakPolarHBondContact CG1-O 3.33Å; I75-T234 HydrophobicContact CD1-CG2 4.1Å; I75-T234 HydrophobicContact CG1-CG2 4.34Å; I75-T234 HydrophobicContact CG2-CG2 4.49Å
76G97.9Very high96.4Very high0 Ų058.2 Ų58.20%028%0.284CS..Hα-helixtrans-59.7-36.4177.900000113.7A62 A65 T66 T72 R73 L79 T80A62-G76 WeakPolarHBondContact O-CA 3.32Å; A65-G76 VanDerWaalsContact CB-CA 3.47Å; T66-G76 WeakPolarHBondContact OG1-CA 3.45Å; T66-G76 PolarHBondContact OG1-O 3.31Å; T72-G76 PolarHBondContact O-N 3.1Å; R73-G76 PolarHBondContact O-N 3.22Å; G76-L79 PolarHBondContact O-N 3.37Å; G76-T80 WeakPolarHBondContact O-CB 3.22Å; G76-T80 PolarHBondContact O-N 2.63Å; G76-T80 PolarHBondContact O-OG1 3.33Å
77S97.3Very high96.4Very high44 Ų4459.4 Ų59.431%0.30828%0.283SS..Hα-helixtrans-66.6-38.6175.1-57.70000111.9T66 R73 D74 I75 R81T66-S77 PolarHBondContact OG1-N 3.43Å; R73-S77 WeakPolarHBondContact O-CB 3.45Å; R73-S77 PolarHBondContact O-N 2.84Å; R73-S77 PolarHBondContact O-OG 2.77Å; D74-S77 WeakPolarHBondContact O-CB 3.45Å; D74-S77 PolarHBondContact O-N 2.92Å; I75-S77 VanDerWaalsContact C-N 3.27Å; I75-S77 PolarHBondContact O-N 3.2Å; S77-R81 PolarHBondContact O-N 3.13Å; S77-R81 PolarHBondContact O-NH1 3.48Å
78A97.4Very high96.4Very high0 Ų054.4 Ų54.40%026%0.259CS..Hα-helixtrans-71.3-40.5173.900000112.5D74 I75 T80 R81 M82 L230 L233D74-A78 PolarHBondContact O-N 3.19Å; I75-A78 PolarHBondContact O-N 3.49Å; I75-A78 VanDerWaalsContact O-N 3.11Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 2.87Å; A78-R81 WeakPolarHBondContact O-CB 3.32Å; A78-R81 PolarHBondContact O-N 3.06Å; A78-M82 PolarHBondContact O-N 3.38Å; A78-L230 HydrophobicContact CB-CD2 3.58Å; A78-L230 HydrophobicContact CB-CG 3.99Å; A78-L233 HydrophobicContact CB-CD1 3.66Å
79L98.3Very high96.4Very high33 Ų3353.8 Ų53.817%0.17325%0.252CS..Hα-helixtrans-59.8-39.8171.9-70.2173.2000111.5F58 A62 I75 G76 R81 M82 C83 L230F58-L79 HydrophobicContact CE1-CB 4.23Å; F58-L79 HydrophobicContact CE1-CD2 4.24Å; F58-L79 WeakPolarHBondContact CE1-O 3.41Å; F58-L79 HydrophobicContact CZ-CD2 3.9Å; A62-L79 HydrophobicContact CB-CB 3.56Å; I75-L79 HydrophobicContact CG2-CD1 4.05Å; I75-L79 HydrophobicContact CG2-CG 4.32Å; I75-L79 WeakPolarHBondContact O-CG 3.03Å; I75-L79 PolarHBondContact O-N 3.39Å; G76-L79 PolarHBondContact O-N 3.37Å; L79-R81 PolarHBondContact O-N 2.87Å; L79-M82 WeakPolarHBondContact O-CB 3.47Å; L79-M82 PolarHBondContact O-N 3.15Å; L79-M82 VanDerWaalsContact O-N 3.14Å; L79-C83 PolarHBondContact O-N 3.34Å; L79-L230 HydrophobicContact CD2-CD1 3.98Å; L79-L230 HydrophobicContact CD2-CD2 3.9Å; L79-L230 HydrophobicContact CG-CD2 3.94Å
80T98.1Very high96.6Very high41 Ų4146 Ų4625%0.25222%0.223SC..Hα-helixtrans-63.1-42.5175.8-63.10000111.5Q59 A62 G76 A78 M82 C83 M84Q59-T80 PolarHBondContact NE2-OG1 2.65Å; Q59-T80 VanDerWaalsContact NE2-OG1 3.11Å; A62-T80 WeakPolarHBondContact CB-OG1 3.38Å; G76-T80 WeakPolarHBondContact O-CB 3.22Å; G76-T80 PolarHBondContact O-N 2.63Å; G76-T80 PolarHBondContact O-OG1 3.33Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 2.87Å; T80-M82 VanDerWaalsContact C-N 3.31Å; T80-M82 PolarHBondContact O-N 2.67Å; T80-C83 PolarHBondContact O-N 2.98Å; T80-M84 WeakPolarHBondContact O-CG 3.39Å; T80-M84 PolarHBondContact O-N 2.94Å
81R97.3Very high96.9Very high106 Ų10648 Ų4840%0.424%0.239SC..Hα-helixtrans-58.7-43.3171.6-65.5-167.3-60.9-8414.9111.5S77 A78 L79 M84 R85 L226 D229S77-R81 PolarHBondContact O-N 3.13Å; S77-R81 PolarHBondContact O-NH1 3.48Å; A78-R81 WeakPolarHBondContact O-CB 3.32Å; A78-R81 PolarHBondContact O-N 3.06Å; L79-R81 PolarHBondContact O-N 2.87Å; R81-M84 PolarHBondContact O-N 3.43Å; R81-R85 PolarHBondContact O-N 3.35Å; R81-L226 HydrophobicContact CB-CD1 3.91Å; R81-L226 HydrophobicContact CB-CD2 3.68Å; R81-L226 HydrophobicContact CB-CG 4.48Å; R81-L226 HydrophobicContact CG-CD2 4.44Å; R81-D229 IonicContact CZ-OD2 2.66Å; R81-D229 IonicContact NE-OD2 2.7Å; R81-D229 IonicContact NH2-OD2 3.42Å; R81-D229 PolarHBondContact NH2-OD2 3.44Å
82M97.3Very high97Very high14 Ų1450 Ų507%0.06925%0.246CC..Hα-helixtrans-63-42.7179-171.5648700112F58 A78 L79 T80 R85 H86 L223 L226 L230F58-M82 HydrophobicContact CZ-CB 4.49Å; F58-M82 HydrophobicContact CZ-CG 4.26Å; A78-M82 PolarHBondContact O-N 3.38Å; L79-M82 WeakPolarHBondContact O-CB 3.47Å; L79-M82 PolarHBondContact O-N 3.15Å; L79-M82 VanDerWaalsContact O-N 3.14Å; T80-M82 VanDerWaalsContact C-N 3.31Å; T80-M82 PolarHBondContact O-N 2.67Å; M82-R85 PolarHBondContact O-N 2.88Å; M82-H86 PolarHBondContact O-N 3.49Å; M82-H86 VanDerWaalsContact O-N 3.09Å; M82-H86 PolarHBondContact O-ND1 2.88Å; M82-L223 HydrophobicContact SD-CD2 3.68Å; M82-L226 HydrophobicContact CE-CB 3.53Å; M82-L226 HydrophobicContact SD-CB 4.07Å; M82-L226 HydrophobicContact SD-CD1 4.44Å; M82-L230 HydrophobicContact CB-CD1 4.39Å; M82-L230 HydrophobicContact CE-CD1 3.83Å; M82-L230 HydrophobicContact CG-CD1 4.49Å
83C97.8Very high97.1Very high0 Ų048.2 Ų48.20%023%0.233CC..Hα-helixtrans-62.8-45176-166.40000111.7L55 F58 Q59 L79 T80 R85 H86 R87L55-C83 PolarHBondContact O-SG 2.99Å; F58-C83 HydrophobicContact CD1-CB 3.65Å; F58-C83 HydrophobicContact CE1-CB 3.97Å; Q59-C83 VanDerWaalsContact OE1-CB 3.29Å; L79-C83 PolarHBondContact O-N 3.34Å; T80-C83 PolarHBondContact O-N 2.98Å; C83-R85 VanDerWaalsContact C-N 3.32Å; C83-R85 PolarHBondContact O-N 2.91Å; C83-H86 PolarHBondContact O-N 3.21Å; C83-H86 VanDerWaalsContact O-N 3.15Å; C83-R87 PolarHBondContact O-N 3.01Å
84M96.8Very high97.1Very high111 Ų11147.8 Ų47.855%0.54723%0.232SC..Hα-helixtrans-65.2-32.7179.1-67.8-58.5-67.800112.8T80 R81 R87 S88T80-M84 WeakPolarHBondContact O-CG 3.39Å; T80-M84 PolarHBondContact O-N 2.94Å; R81-M84 PolarHBondContact O-N 3.43Å; M84-R87 PolarHBondContact O-N 2.93Å; M84-S88 PolarHBondContact O-N 3.23Å; M84-S88 VanDerWaalsContact O-N 3.15Å
85R95.9Very high97.2Very high100 Ų10049.5 Ų49.538%0.37724%0.238SC..Hα-helixtrans-68.9-39.1170.8-71.3-68.1160.9-146.3-6.9112.8R81 M82 C83 R87 S88 I89 E219 H222 L223 L226R81-R85 PolarHBondContact O-N 3.35Å; M82-R85 PolarHBondContact O-N 2.88Å; C83-R85 VanDerWaalsContact C-N 3.32Å; C83-R85 PolarHBondContact O-N 2.91Å; R85-R87 VanDerWaalsContact C-N 3.31Å; R85-R87 PolarHBondContact O-N 3.35Å; R85-S88 WeakPolarHBondContact O-CB 3.48Å; R85-S88 PolarHBondContact O-N 2.67Å; R85-S88 VanDerWaalsContact O-N 3.15Å; R85-I89 PolarHBondContact O-N 3.4Å; R85-I89 VanDerWaalsContact O-N 3.13Å; R85-E219 IonicContact NH1-OE2 3.69Å; R85-H222 HydrophobicContact CG-CB 4.36Å; R85-L223 HydrophobicContact CB-CD2 3.63Å; R85-L226 HydrophobicContact CB-CD1 4.31Å; R85-L226 HydrophobicContact CG-CD1 3.64Å
86H96.8Very high97.2Very high59 Ų5948.4 Ų48.427%0.27323%0.232SC..Hα-helixtrans-66.2-31.2172.6-73.285.1000112.9L55 M82 C83 S88 I89 E90L55-H86 HydrophobicContact CD1-CB 3.8Å; L55-H86 HydrophobicContact CD2-CB 3.45Å; L55-H86 VanDerWaalsContact CD2-CB 3.45Å; L55-H86 HydrophobicContact CG-CB 4.27Å; M82-H86 PolarHBondContact O-N 3.49Å; M82-H86 VanDerWaalsContact O-N 3.09Å; M82-H86 PolarHBondContact O-ND1 2.88Å; C83-H86 PolarHBondContact O-N 3.21Å; C83-H86 VanDerWaalsContact O-N 3.15Å; H86-S88 VanDerWaalsContact C-N 3.33Å; H86-I89 PolarHBondContact O-N 2.91Å; H86-E90 WeakPolarHBondContact O-CB 3.43Å; H86-E90 PolarHBondContact O-N 3.21Å
87R97.3Very high97.2Very high70 Ų7048.6 Ų48.626%0.26423%0.233SC..Hα-helixtrans-66.2-33.4170.6-69.3-172.4-168.2-97.1-0.3112.6L55 D56 C83 M84 R85 E90 A91L55-R87 HydrophobicContact CB-CG 4.4Å; L55-R87 HydrophobicContact CD1-CG 3.84Å; L55-R87 PolarHBondContact O-NH2 3.08Å; D56-R87 IonicContact OD1-CZ 2.95Å; D56-R87 VanDerWaalsContact OD1-CZ 3.23Å; D56-R87 IonicContact OD1-NH1 2.8Å; D56-R87 PolarHBondContact OD1-NH1 3.08Å; D56-R87 IonicContact OD1-NH2 3.43Å; D56-R87 PolarHBondContact OD1-NH2 2.87Å; C83-R87 PolarHBondContact O-N 3.01Å; M84-R87 PolarHBondContact O-N 2.93Å; R85-R87 VanDerWaalsContact C-N 3.31Å; R85-R87 PolarHBondContact O-N 3.35Å; R87-E90 PolarHBondContact O-N 3.19Å; R87-A91 WeakPolarHBondContact O-CB 3.22Å; R87-A91 PolarHBondContact O-N 3.39Å
88S96.7Very high97.3Very high33 Ų3351.2 Ų51.223%0.23124%0.242CC..Hα-helixtrans-60.7-44.7170.6-162.70000111.5M84 R85 H86 A91 K92 E219M84-S88 PolarHBondContact O-N 3.23Å; M84-S88 VanDerWaalsContact O-N 3.15Å; R85-S88 WeakPolarHBondContact O-CB 3.48Å; R85-S88 PolarHBondContact O-N 2.67Å; R85-S88 VanDerWaalsContact O-N 3.15Å; H86-S88 VanDerWaalsContact C-N 3.33Å; S88-A91 PolarHBondContact O-N 3.4Å; S88-K92 PolarHBondContact O-N 3.33Å; S88-E219 VanDerWaalsContact CB-OE2 3.23Å; S88-E219 WeakPolarHBondContact CB-OE2 3.33Å; S88-E219 PolarHBondContact OG-OE2 3.25Å
89I96.3Very high97.3Very high33 Ų3352 Ų5217%0.16925%0.247CC..Hα-helixtrans-66.4-41.3176.1-65.8166.6000111.5R85 H86 A91 K92 L93 M216 E219 L223R85-I89 PolarHBondContact O-N 3.4Å; R85-I89 VanDerWaalsContact O-N 3.13Å; H86-I89 PolarHBondContact O-N 2.91Å; I89-A91 PolarHBondContact O-N 3.18Å; I89-K92 PolarHBondContact O-N 3.08Å; I89-L93 WeakPolarHBondContact O-CB 3.41Å; I89-L93 PolarHBondContact O-N 3.36Å; I89-M216 HydrophobicContact CG2-CG 4.18Å; I89-M216 HydrophobicContact CG2-SD 4.32Å; I89-E219 HydrophobicContact CD1-CB 3.97Å; I89-E219 HydrophobicContact CG1-CB 3.5Å; I89-E219 VanDerWaalsContact CG1-CB 3.5Å; I89-E219 HydrophobicContact CG1-CG 3.96Å; I89-L223 HydrophobicContact CD1-CD1 3.66Å; I89-L223 HydrophobicContact CD1-CD2 4.34Å; I89-L223 HydrophobicContact CD1-CG 4.16Å
90E96.9Very high97.3Very high19 Ų1951.2 Ų51.29%0.08924%0.242CC..Hα-helixtrans-60.7-43.2176-173.6-97.611700111.8V48 V51 A52 L55 H86 R87 L93 R94V48-E90 HydrophobicContact CG1-CG 4.42Å; V48-E90 WeakPolarHBondContact CG1-OE1 3.45Å; V51-E90 HydrophobicContact CB-CG 4.34Å; V51-E90 HydrophobicContact CG1-CB 3.98Å; V51-E90 HydrophobicContact CG1-CG 3.91Å; A52-E90 HydrophobicContact CB-CG 4.42Å; L55-E90 HydrophobicContact CD1-CB 4.3Å; H86-E90 WeakPolarHBondContact O-CB 3.43Å; H86-E90 PolarHBondContact O-N 3.21Å; R87-E90 PolarHBondContact O-N 3.19Å; E90-L93 PolarHBondContact O-N 3.49Å; E90-R94 WeakPolarHBondContact O-CB 3.46Å; E90-R94 PolarHBondContact O-N 3.17Å; E90-R94 IonicContact OE1-CZ 3.27Å; E90-R94 VanDerWaalsContact OE1-CZ 3.23Å; E90-R94 IonicContact OE1-NE 2.72Å; E90-R94 PolarHBondContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 3.21Å; E90-R94 PolarHBondContact OE1-NH2 3.49Å; E90-R94 IonicContact OE2-NH2 2.74Å
91A96.9Very high97.3Very high54 Ų5451 Ų5145%0.44624%0.239SC..Hα-helixtrans-62.9-42.9174.400000112.5R87 S88 I89 R94 Q95R87-A91 WeakPolarHBondContact O-CB 3.22Å; R87-A91 PolarHBondContact O-N 3.39Å; S88-A91 PolarHBondContact O-N 3.4Å; I89-A91 PolarHBondContact O-N 3.18Å; A91-R94 WeakPolarHBondContact O-CB 3.48Å; A91-R94 PolarHBondContact O-N 2.88Å; A91-Q95 PolarHBondContact O-N 3.42Å
92K96.3Very high97.4Very high49 Ų4949.9 Ų49.921%0.21324%0.241CC..Hα-helixtrans-67.2-39.7175.5-74.4-175.6171.7178.40112.7S88 I89 R94 Q95 F96 S215 M216 E219S88-K92 PolarHBondContact O-N 3.33Å; I89-K92 PolarHBondContact O-N 3.08Å; K92-R94 VanDerWaalsContact C-N 3.3Å; K92-R94 PolarHBondContact O-N 2.72Å; K92-Q95 PolarHBondContact O-N 3.07Å; K92-F96 WeakPolarHBondContact O-CB 3.49Å; K92-F96 PolarHBondContact O-N 3.05Å; K92-S215 WeakPolarHBondContact CD-O 3.28Å; K92-S215 WeakPolarHBondContact CE-OG 3.49Å; K92-S215 PolarHBondContact NZ-O 2.79Å; K92-M216 HydrophobicContact CB-CB 4.17Å; K92-M216 HydrophobicContact CB-CG 4.35Å; K92-E219 HydrophobicContact CD-CG 3.89Å; K92-E219 WeakPolarHBondContact CE-OE1 3.36Å; K92-E219 IonicContact NZ-OE1 3.93Å; K92-E219 PolarHBondContact NZ-OE1 2.9Å
93L97.2Very high97.4Very high24 Ų2451.5 Ų51.513%0.12625%0.253CS..Hα-helixtrans-63.6-36.7174.3-175.665.1000111.8L44 T47 V48 I89 E90 F96 S97 M216L44-L93 HydrophobicContact CD2-CD1 4.01Å; T47-L93 HydrophobicContact CG2-CD2 4.31Å; V48-L93 HydrophobicContact CG2-CB 4.19Å; V48-L93 HydrophobicContact CG2-CD2 3.85Å; V48-L93 HydrophobicContact CG2-CG 3.73Å; I89-L93 WeakPolarHBondContact O-CB 3.41Å; I89-L93 PolarHBondContact O-N 3.36Å; E90-L93 PolarHBondContact O-N 3.49Å; L93-F96 HydrophobicContact CD1-CD1 4.29Å; L93-S97 WeakPolarHBondContact O-CB 3.36Å; L93-S97 PolarHBondContact O-N 3.1Å; L93-M216 HydrophobicContact CB-SD 3.98Å; L93-M216 HydrophobicContact CD1-CE 4.34Å; L93-M216 HydrophobicContact CD1-SD 3.91Å
94R97.6Very high97.5Very high126 Ų12651.5 Ų51.548%0.47525%0.253SS..Hα-helixtrans-65-45.3173.3-169.5-175.7-63.3-145.73111.6V48 E90 A91 K92 S97 M98V48-R94 HydrophobicContact CG1-CB 3.9Å; V48-R94 HydrophobicContact CG1-CG 4.02Å; V48-R94 HydrophobicContact CG2-CB 4.28Å; E90-R94 WeakPolarHBondContact O-CB 3.46Å; E90-R94 PolarHBondContact O-N 3.17Å; E90-R94 IonicContact OE1-CZ 3.27Å; E90-R94 VanDerWaalsContact OE1-CZ 3.23Å; E90-R94 IonicContact OE1-NE 2.72Å; E90-R94 PolarHBondContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 3.21Å; E90-R94 PolarHBondContact OE1-NH2 3.49Å; E90-R94 IonicContact OE2-NH2 2.74Å; A91-R94 WeakPolarHBondContact O-CB 3.48Å; A91-R94 PolarHBondContact O-N 2.88Å; K92-R94 VanDerWaalsContact C-N 3.3Å; K92-R94 PolarHBondContact O-N 2.72Å; R94-S97 WeakPolarHBondContact O-CB 3.36Å; R94-S97 PolarHBondContact O-N 3.11Å; R94-M98 PolarHBondContact O-N 2.94Å; R94-M98 VanDerWaalsContact O-N 3.13Å
95Q97.4Very high97.5Very high82 Ų8246.3 Ų46.338%0.38323%0.228SC..Hα-helixtrans-62.5-48.9175.7174.163.111.100111.8A91 K92 S97 M98 V99 E212A91-Q95 PolarHBondContact O-N 3.42Å; K92-Q95 PolarHBondContact O-N 3.07Å; Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 3.43Å; Q95-M98 WeakPolarHBondContact O-CB 3.44Å; Q95-M98 PolarHBondContact O-N 3.2Å; Q95-V99 PolarHBondContact O-N 3.22Å; Q95-E212 HydrophobicContact CG-CG 4.44Å; Q95-E212 WeakPolarHBondContact CG-OE1 3.45Å; Q95-E212 PolarHBondContact NE2-OE1 3.05Å
96F98Very high97.7Very high19 Ų1944.4 Ų44.48%0.08323%0.225CC..Hα-helixtrans-53.5-44.8172.1169.4-98.6000112L44 K92 L93 M98 V99 F100 V209 E212 E213L44-F96 HydrophobicContact CD1-CD1 4.22Å; L44-F96 HydrophobicContact CD1-CE1 3.69Å; L44-F96 HydrophobicContact CD2-CE1 4.24Å; K92-F96 WeakPolarHBondContact O-CB 3.49Å; K92-F96 PolarHBondContact O-N 3.05Å; L93-F96 HydrophobicContact CD1-CD1 4.29Å; F96-M98 VanDerWaalsContact C-N 3.28Å; F96-M98 PolarHBondContact O-N 2.72Å; F96-V99 PolarHBondContact O-N 2.9Å; F96-F100 VanDerWaalsContact O-CB 3.23Å; F96-F100 WeakPolarHBondContact O-CB 3.46Å; F96-F100 PolarHBondContact O-N 3.49Å; F96-V209 HydrophobicContact CD2-CG1 4.18Å; F96-V209 WeakPolarHBondContact CD2-O 3.48Å; F96-V209 HydrophobicContact CE2-CG1 3.53Å; F96-V209 WeakPolarHBondContact CE2-O 3.36Å; F96-V209 HydrophobicContact CZ-CG1 4.16Å; F96-E212 HydrophobicContact CB-CB 4.2Å; F96-E212 HydrophobicContact CD2-CB 4.22Å; F96-E213 HydrophobicContact CD2-CB 4.14Å; F96-E213 HydrophobicContact CE2-CB 3.85Å; F96-E213 HydrophobicContact CE2-CG 4.42Å
97S98.2Very high97.7Very high3 Ų343.2 Ų43.22%0.02122%0.222CC..Hα-helixtrans-62.4-32177.3-174.20000113.1Q41 R45 L93 R94 Q95Q41-S97 PolarHBondContact NE2-O 2.67Å; Q41-S97 PolarHBondContact NE2-OG 3.27Å; R45-S97 WeakPolarHBondContact CG-OG 3.47Å; L93-S97 WeakPolarHBondContact O-CB 3.36Å; L93-S97 PolarHBondContact O-N 3.1Å; R94-S97 WeakPolarHBondContact O-CB 3.36Å; R94-S97 PolarHBondContact O-N 3.11Å; Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 3.43Å
98M97.9Very high97.8Very high99 Ų9939.9 Ų39.949%0.48821%0.21SC..Hα-helixtrans-75.3-50.3173.4-68.6176.358.100111.6R94 Q95 F96 F100 L101 D102R94-M98 PolarHBondContact O-N 2.94Å; R94-M98 VanDerWaalsContact O-N 3.13Å; Q95-M98 WeakPolarHBondContact O-CB 3.44Å; Q95-M98 PolarHBondContact O-N 3.2Å; F96-M98 VanDerWaalsContact C-N 3.28Å; F96-M98 PolarHBondContact O-N 2.72Å; M98-F100 VanDerWaalsContact C-N 3.27Å; M98-F100 PolarHBondContact O-N 3.13Å; M98-L101 WeakPolarHBondContact O-CA 3.44Å; M98-L101 WeakPolarHBondContact O-CB 3.46Å; M98-L101 PolarHBondContact O-N 3.13Å; M98-D102 PolarHBondContact O-N 3.46Å
99V98.4Very high97.8Very high17 Ų1743.7 Ų43.710%0.10322%0.224CC..Hα-helixtrans-59.5-36.4178.7172.40000112.1Q95 F96 L101 D102 C103 P208 V209 E212Q95-V99 PolarHBondContact O-N 3.22Å; F96-V99 PolarHBondContact O-N 2.9Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.4Å; V99-D102 PolarHBondContact O-N 2.82Å; V99-C103 HydrophobicContact CG1-CB 4.12Å; V99-C103 VanDerWaalsContact O-CB 3.26Å; V99-C103 WeakPolarHBondContact O-CB 3.45Å; V99-C103 PolarHBondContact O-N 2.92Å; V99-P208 HydrophobicContact CG1-CB 3.96Å; V99-V209 HydrophobicContact CG1-CG2 4.32Å; V99-E212 HydrophobicContact CB-CG 4.28Å; V99-E212 HydrophobicContact CG1-CG 4.28Å; V99-E212 HydrophobicContact CG2-CG 4.06Å
100F98.5Very high97.8Very high16 Ų1649.1 Ų49.17%0.0725%0.249CC..Iπ-helixtrans-62.2-33.9173.3-174-129.1000113.2A37 L40 Q41 L44 F96 M98 L104 I105 V209A37-F100 HydrophobicContact CB-CE1 4.33Å; A37-F100 HydrophobicContact CB-CE2 4.45Å; A37-F100 HydrophobicContact CB-CZ 3.77Å; A37-F100 WeakPolarHBondContact O-CE1 3.4Å; L40-F100 HydrophobicContact CB-CE1 4.11Å; L40-F100 HydrophobicContact CD2-CE1 3.97Å; L40-F100 HydrophobicContact CD2-CZ 3.9Å; L40-F100 HydrophobicContact CG-CE1 3.98Å; L40-F100 HydrophobicContact CG-CZ 4.41Å; Q41-F100 HydrophobicContact CB-CD1 3.83Å; Q41-F100 HydrophobicContact CB-CE1 4.06Å; Q41-F100 HydrophobicContact CG-CD1 3.92Å; L44-F100 HydrophobicContact CD1-CD1 4.16Å; L44-F100 HydrophobicContact CD1-CE1 4.46Å; F96-F100 VanDerWaalsContact O-CB 3.23Å; F96-F100 WeakPolarHBondContact O-CB 3.46Å; F96-F100 PolarHBondContact O-N 3.49Å; M98-F100 VanDerWaalsContact C-N 3.27Å; M98-F100 PolarHBondContact O-N 3.13Å; F100-L104 HydrophobicContact CD2-CD2 3.94Å; F100-L104 HydrophobicContact CE2-CD2 3.75Å; F100-I105 HydrophobicContact CD1-CD1 3.94Å; F100-I105 HydrophobicContact CE1-CD1 3.93Å; F100-I105 HydrophobicContact CG-CD1 4.38Å; F100-I105 HydrophobicContact CZ-CD1 4.39Å; F100-I105 WeakPolarHBondContact O-CG1 3.25Å; F100-I105 PolarHBondContact O-N 3.48Å; F100-I105 VanDerWaalsContact O-N 3.15Å; F100-V209 HydrophobicContact CB-CG1 4.24Å; F100-V209 HydrophobicContact CD2-CG1 3.69Å; F100-V209 HydrophobicContact CD2-CG2 4.23Å; F100-V209 HydrophobicContact CG-CG1 4.37Å
101L98.4Very high97.9Very high36 Ų3650.9 Ų50.919%0.18826%0.257CS..Iπ-helixtrans-75-53.5173.8-174.460.8000111.4Q41 M98 V99 I105 N106Q41-L101 HydrophobicContact CG-CB 4.01Å; Q41-L101 HydrophobicContact CG-CD1 4.44Å; M98-L101 WeakPolarHBondContact O-CA 3.44Å; M98-L101 WeakPolarHBondContact O-CB 3.46Å; M98-L101 PolarHBondContact O-N 3.13Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.4Å; L101-I105 HydrophobicContact CD1-CB 4.17Å; L101-I105 HydrophobicContact CD1-CD1 4.34Å; L101-I105 HydrophobicContact CD1-CG2 4.07Å; L101-I105 PolarHBondContact O-N 2.94Å; L101-N106 WeakPolarHBondContact CD1-OD1 3.4Å; L101-N106 PolarHBondContact O-N 3.23Å; L101-N106 PolarHBondContact O-ND2 3.29Å
102D98.4Very high97.9Very high83 Ų8348.5 Ų48.544%0.44424%0.237SC..Iπ-helixtrans-85.9-26.2-163.3-61.2-32.1000113.5M98 V99 N106 P107M98-D102 PolarHBondContact O-N 3.46Å; V99-D102 PolarHBondContact O-N 2.82Å; D102-N106 PolarHBondContact OD1-ND2 3.48Å; D102-P107 WeakPolarHBondContact O-CD 3.17Å; D102-P107 WeakPolarHBondContact O-CG 3.4Å
103C98.4Very high97.9Very high48 Ų4851.4 Ų51.432%0.32425%0.251SS..Iπ-helixtrans-100.6-21.1178.3-62.40000114V99 M205 P208V99-C103 HydrophobicContact CG1-CB 4.12Å; V99-C103 VanDerWaalsContact O-CB 3.26Å; V99-C103 WeakPolarHBondContact O-CB 3.45Å; V99-C103 PolarHBondContact O-N 2.92Å; C103-M205 VanDerWaalsContact O-CB 3.29Å; C103-M205 WeakPolarHBondContact O-CB 3.49Å; C103-P208 HydrophobicContact CB-CB 4.47Å; C103-P208 HydrophobicContact CB-CG 3.7Å
104L98.6Very high97.9Very high0 Ų053.3 Ų53.30%026%0.259CS..Iπ-helixtrans-118.9-58.9-178.3-177.563.6000113.9F33 F100 L108 F202 M205 L206 V209F33-L104 HydrophobicContact CE1-CD2 4.45Å; F33-L104 HydrophobicContact CZ-CD2 4.3Å; F100-L104 HydrophobicContact CD2-CD2 3.94Å; F100-L104 HydrophobicContact CE2-CD2 3.75Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.44Å; L104-L108 VanDerWaalsContact O-N 3.09Å; L104-F202 HydrophobicContact CD1-CD2 4.05Å; L104-F202 HydrophobicContact CD1-CE2 3.94Å; L104-M205 HydrophobicContact CD1-CB 3.63Å; L104-L206 HydrophobicContact CD2-CD1 3.87Å; L104-V209 HydrophobicContact CB-CG2 3.96Å; L104-V209 HydrophobicContact CD2-CG2 4.35Å
105I98.6Very high98Very high3 Ų347.5 Ų47.52%0.01524%0.237CC..Iπ-helixtrans-65.7-56.9-172.2-68.2164000111.7A37 T38 Q41 F100 L101 L108 Q109A37-I105 HydrophobicContact CB-CD1 3.88Å; A37-I105 HydrophobicContact CB-CG1 3.67Å; T38-I105 WeakPolarHBondContact OG1-CG2 3.32Å; Q41-I105 HydrophobicContact CB-CD1 3.78Å; Q41-I105 HydrophobicContact CG-CD1 4.02Å; F100-I105 HydrophobicContact CD1-CD1 3.94Å; F100-I105 HydrophobicContact CE1-CD1 3.93Å; F100-I105 HydrophobicContact CG-CD1 4.38Å; F100-I105 HydrophobicContact CZ-CD1 4.39Å; F100-I105 WeakPolarHBondContact O-CG1 3.25Å; F100-I105 PolarHBondContact O-N 3.48Å; F100-I105 VanDerWaalsContact O-N 3.15Å; L101-I105 HydrophobicContact CD1-CB 4.17Å; L101-I105 HydrophobicContact CD1-CD1 4.34Å; L101-I105 HydrophobicContact CD1-CG2 4.07Å; L101-I105 PolarHBondContact O-N 2.94Å; I105-L108 PolarHBondContact O-N 3.27Å; I105-Q109 WeakPolarHBondContact O-CB 3.23Å; I105-Q109 PolarHBondContact O-N 3.42Å
106N98.3Very high98Very high59 Ų5945.8 Ų45.832%0.31623%0.228SC..Hα-helixtrans-64.1-48-176.8-54.8-26.8000111.5L101 D102 L108 Q109 E110L101-N106 WeakPolarHBondContact CD1-OD1 3.4Å; L101-N106 PolarHBondContact O-N 3.23Å; L101-N106 PolarHBondContact O-ND2 3.29Å; D102-N106 PolarHBondContact OD1-ND2 3.48Å; N106-L108 PolarHBondContact O-N 3.02Å; N106-Q109 PolarHBondContact O-N 3.28Å; N106-E110 PolarHBondContact O-N 3.1Å
107P98.3Very high98Very high34 Ų3451.2 Ų51.222%0.22125%0.249CC..Hα-helixtrans-66-33.4-179.2-2538.9000113.8D102 Q111 M205D102-P107 WeakPolarHBondContact O-CD 3.17Å; D102-P107 WeakPolarHBondContact O-CG 3.4Å; P107-Q111 WeakPolarHBondContact O-CB 3.41Å; P107-Q111 WeakPolarHBondContact O-CG 3.27Å; P107-Q111 PolarHBondContact O-N 3.04Å; P107-Q111 VanDerWaalsContact O-N 3.08Å; P107-M205 VanDerWaalsContact C-CE 3.47Å; P107-M205 HydrophobicContact CB-CE 3.67Å; P107-M205 HydrophobicContact CB-CG 4.45Å; P107-M205 HydrophobicContact CB-SD 4.35Å; P107-M205 WeakPolarHBondContact O-CE 3.37Å
108L98.3Very high98Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-69.6-39.6175-174.362.9000111.1W30 F33 I34 L104 I105 N106 Q111 M112 W115 F202 M205W30-L108 HydrophobicContact CE3-CD1 4.22Å; W30-L108 HydrophobicContact CE3-CD2 4.27Å; W30-L108 HydrophobicContact CZ3-CD1 4.4Å; F33-L108 HydrophobicContact CD1-CD2 3.66Å; F33-L108 HydrophobicContact CE1-CD2 3.74Å; I34-L108 HydrophobicContact CD1-CD2 4.43Å; I34-L108 HydrophobicContact CD1-CG 4.16Å; I34-L108 HydrophobicContact CG1-CD2 3.9Å; I34-L108 HydrophobicContact CG1-CG 4.13Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.44Å; L104-L108 VanDerWaalsContact O-N 3.09Å; I105-L108 PolarHBondContact O-N 3.27Å; N106-L108 PolarHBondContact O-N 3.02Å; L108-Q111 PolarHBondContact O-N 2.93Å; L108-M112 WeakPolarHBondContact O-CG 3.36Å; L108-M112 PolarHBondContact O-N 3.38Å; L108-W115 HydrophobicContact CD1-CH2 3.59Å; L108-W115 HydrophobicContact CD1-CZ3 3.82Å; L108-F202 HydrophobicContact CD1-CD2 4.39Å; L108-F202 HydrophobicContact CD2-CD2 4.1Å; L108-F202 HydrophobicContact CD2-CE2 4.35Å; L108-M205 HydrophobicContact CB-SD 3.98Å; L108-M205 HydrophobicContact CD1-SD 4.18Å
109Q97.8Very high98Very high113 Ų11348.3 Ų48.353%0.52824%0.236SC..Hα-helixtrans-63.8-39.2176-175.4174.7-14.800112.3I34 I105 N106I34-Q109 HydrophobicContact CD1-CB 4.37Å; I34-Q109 HydrophobicContact CG2-CB 4.48Å; I105-Q109 WeakPolarHBondContact O-CB 3.23Å; I105-Q109 PolarHBondContact O-N 3.42Å; N106-Q109 PolarHBondContact O-N 3.28Å
110E96.5Very high98Very high148 Ų14850.6 Ų50.669%0.69225%0.248SC*.Hα-helixtrans-65.2-44.4173.3-71.2176.9-170.400112N106 M112 E113N106-E110 PolarHBondContact O-N 3.1Å; E110-M112 PolarHBondContact O-N 3.09Å; E110-E113 PolarHBondContact O-N 3.49Å
111Q97.3Very high98Very high56 Ų5653.1 Ų53.126%0.26226%0.264SS..Hα-helixtrans-64-21.3-179.8-81.1-65.7116.900114.3P107 L108 E113 E114 W115 I201 M205P107-Q111 WeakPolarHBondContact O-CB 3.41Å; P107-Q111 WeakPolarHBondContact O-CG 3.27Å; P107-Q111 PolarHBondContact O-N 3.04Å; P107-Q111 VanDerWaalsContact O-N 3.08Å; L108-Q111 PolarHBondContact O-N 2.93Å; Q111-E113 VanDerWaalsContact C-N 3.34Å; Q111-E113 PolarHBondContact O-N 3.36Å; Q111-E114 WeakPolarHBondContact O-CB 3.27Å; Q111-E114 PolarHBondContact O-N 3.36Å; Q111-W115 HydrophobicContact CB-CD2 4.45Å; Q111-W115 HydrophobicContact CB-CZ2 4.27Å; Q111-W115 WeakPolarHBondContact O-CB 3.46Å; Q111-W115 VanDerWaalsContact O-CG 3.29Å; Q111-W115 PolarHBondContact O-N 2.94Å; Q111-I201 HydrophobicContact CG-CG2 4.48Å; Q111-M205 HydrophobicContact CB-CE 4.37Å; Q111-M205 HydrophobicContact CG-CE 3.72Å
112M97.9Very high98Very high3 Ų352.6 Ų52.62%0.01526%0.262CS..Hα-helixtrans-60.5-40.3178.8-78.5-66.3-81.900113.1Y27 W30 D31 I34 L108 E110 W115 K116Y27-M112 HydrophobicContact CD1-CE 4.13Å; Y27-M112 HydrophobicContact CG-CE 4.47Å; Y27-M112 WeakPolarHBondContact O-CE 3.23Å; W30-M112 HydrophobicContact CB-CE 3.57Å; W30-M112 HydrophobicContact CB-SD 3.48Å; W30-M112 WeakPolarHBondContact CB-SD 3.46Å; W30-M112 HydrophobicContact CG-CE 4.48Å; W30-M112 HydrophobicContact CG-SD 4.01Å; D31-M112 WeakPolarHBondContact OD1-CE 3.32Å; I34-M112 HydrophobicContact CD1-CG 3.92Å; L108-M112 WeakPolarHBondContact O-CG 3.36Å; L108-M112 PolarHBondContact O-N 3.38Å; E110-M112 PolarHBondContact O-N 3.09Å; M112-W115 HydrophobicContact SD-CE3 3.97Å; M112-W115 HydrophobicContact SD-CZ3 4.3Å; M112-K116 WeakPolarHBondContact O-CB 3.5Å; M112-K116 WeakPolarHBondContact O-CD 3.44Å; M112-K116 WeakPolarHBondContact O-CG 3.36Å; M112-K116 PolarHBondContact O-N 2.82Å
113E96.4Very high98Very high111 Ų11150.2 Ų50.252%0.51925%0.249SC..Hα-helixtrans-77-24177.2-65-51.5128.400112.8E110 Q111 K116 R117E110-E113 PolarHBondContact O-N 3.49Å; Q111-E113 VanDerWaalsContact C-N 3.34Å; Q111-E113 PolarHBondContact O-N 3.36Å; E113-K116 VanDerWaalsContact OE1-CD 3.27Å; E113-K116 WeakPolarHBondContact OE1-CD 3.45Å; E113-K116 WeakPolarHBondContact OE1-CE 3.37Å; E113-K116 IonicContact OE1-NZ 2.69Å; E113-K116 PolarHBondContact OE1-NZ 3.2Å; E113-R117 WeakPolarHBondContact O-CB 3.38Å; E113-R117 PolarHBondContact O-N 3.29Å
114E97.3Very high98Very high63 Ų6354.8 Ų54.829%0.29426%0.264SS..Hα-helixtrans-68.7-51.3169.3-167.158.3-121.600110.9Q111 K116 R117 V118Q111-E114 WeakPolarHBondContact O-CB 3.27Å; Q111-E114 PolarHBondContact O-N 3.36Å; E114-K116 VanDerWaalsContact C-N 3.3Å; E114-K116 PolarHBondContact O-N 3.01Å; E114-R117 CarbonylContact O-C 3.55Å; E114-R117 WeakPolarHBondContact O-CA 3.46Å; E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 3.43Å; E114-R117 IonicContact OE1-CZ 2.71Å; E114-R117 IonicContact OE1-NH1 3.26Å; E114-R117 PolarHBondContact OE1-NH1 2.91Å; E114-R117 IonicContact OE1-NH2 2.81Å; E114-R117 IonicContact OE2-CZ 3.68Å; E114-R117 IonicContact OE2-NH1 3.23Å; E114-R117 PolarHBondContact OE2-NH1 3.32Å; E114-R117 IonicContact OE2-NH2 2.72Å; E114-R117 PolarHBondContact OE2-NH2 3.01Å; E114-V118 HydrophobicContact CG-CG2 4.28Å; E114-V118 WeakPolarHBondContact O-CG2 3.38Å; E114-V118 PolarHBondContact O-N 2.97Å
115W98.4Very high98Very high4 Ų457.7 Ų57.72%0.01528%0.279CS..Hα-helixtrans-60.1-37.9178.8-69-13000112.7Y27 W30 L108 Q111 M112 R117 A119 R198 I201Y27-W115 HydrophobicContact CE1-CB 4.42Å; Y27-W115 PolarHBondContact OH-O 2.92Å; W30-W115 HydrophobicContact CD2-CZ3 4.03Å; W30-W115 AromaticContact CE2-CZ3 3.97Å; W30-W115 HydrophobicContact CE3-CZ3 4.42Å; W30-W115 HydrophobicContact CG-CZ3 4.36Å; W30-W115 HydrophobicContact CZ2-CZ3 4.31Å; L108-W115 HydrophobicContact CD1-CH2 3.59Å; L108-W115 HydrophobicContact CD1-CZ3 3.82Å; Q111-W115 HydrophobicContact CB-CD2 4.45Å; Q111-W115 HydrophobicContact CB-CZ2 4.27Å; Q111-W115 WeakPolarHBondContact O-CB 3.46Å; Q111-W115 VanDerWaalsContact O-CG 3.29Å; Q111-W115 PolarHBondContact O-N 2.94Å; M112-W115 HydrophobicContact SD-CE3 3.97Å; M112-W115 HydrophobicContact SD-CZ3 4.3Å; W115-R117 VanDerWaalsContact C-N 3.33Å; W115-A119 WeakPolarHBondContact O-CB 3.18Å; W115-A119 PolarHBondContact O-N 3.42Å; W115-R198 HydrophobicContact CD2-CB 4.25Å; W115-R198 HydrophobicContact CD2-CG 3.85Å; W115-R198 HydrophobicContact CE3-CB 4.47Å; W115-R198 HydrophobicContact CE3-CG 4.41Å; W115-R198 HydrophobicContact CG-CG 4.1Å; W115-R198 HydrophobicContact CH2-CB 3.97Å; W115-R198 HydrophobicContact CZ2-CB 3.72Å; W115-R198 HydrophobicContact CZ2-CG 4.09Å; W115-R198 HydrophobicContact CZ3-CB 4.33Å; W115-R198 PolarHBondContact O-NH2 3.28Å; W115-I201 HydrophobicContact CZ2-CB 4.29Å; W115-I201 HydrophobicContact CZ2-CG2 4.14Å
116K98.1Very high97.9Very high46 Ų4658.2 Ų58.220%0.228%0.281CS..Hα-helixtrans-62.2-38.4170.6-72163.6-162.61750111.8Y27 M112 E113 E114 N120Y27-K116 HydrophobicContact CD1-CG 3.99Å; Y27-K116 HydrophobicContact CD2-CG 4.05Å; Y27-K116 HydrophobicContact CE1-CG 3.72Å; Y27-K116 HydrophobicContact CE2-CG 3.77Å; Y27-K116 HydrophobicContact CG-CG 4.19Å; M112-K116 WeakPolarHBondContact O-CB 3.5Å; M112-K116 WeakPolarHBondContact O-CD 3.44Å; M112-K116 WeakPolarHBondContact O-CG 3.36Å; M112-K116 PolarHBondContact O-N 2.82Å; E113-K116 VanDerWaalsContact OE1-CD 3.27Å; E113-K116 WeakPolarHBondContact OE1-CD 3.45Å; E113-K116 WeakPolarHBondContact OE1-CE 3.37Å; E113-K116 IonicContact OE1-NZ 2.69Å; E113-K116 PolarHBondContact OE1-NZ 3.2Å; E114-K116 VanDerWaalsContact C-N 3.3Å; E114-K116 PolarHBondContact O-N 3.01Å; K116-N120 WeakPolarHBondContact O-CB 3.31Å; K116-N120 PolarHBondContact O-N 3.15Å; K116-N120 PolarHBondContact O-ND2 3.29Å
117R98.2Very high97.9Very high134 Ų13457.9 Ų57.951%0.50629%0.287SS..Hα-helixtrans-72.5-50.1178.9-146.4-176.7-39.8114.513.9112.2E113 E114 W115 A119 N120 T121E113-R117 WeakPolarHBondContact O-CB 3.38Å; E113-R117 PolarHBondContact O-N 3.29Å; E114-R117 CarbonylContact O-C 3.55Å; E114-R117 WeakPolarHBondContact O-CA 3.46Å; E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 3.43Å; E114-R117 IonicContact OE1-CZ 2.71Å; E114-R117 IonicContact OE1-NH1 3.26Å; E114-R117 PolarHBondContact OE1-NH1 2.91Å; E114-R117 IonicContact OE1-NH2 2.81Å; E114-R117 IonicContact OE2-CZ 3.68Å; E114-R117 IonicContact OE2-NH1 3.23Å; E114-R117 PolarHBondContact OE2-NH1 3.32Å; E114-R117 IonicContact OE2-NH2 2.72Å; E114-R117 PolarHBondContact OE2-NH2 3.01Å; W115-R117 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 2.77Å; R117-N120 PolarHBondContact O-N 2.76Å; R117-T121 PolarHBondContact O-N 3.14Å; R117-T121 PolarHBondContact O-OG1 2.89Å
118V98.3Very high97.9Very high41 Ų4162.2 Ų62.225%0.24830%0.302CS..Hα-helixtrans-61.5-46.8-176.5177.10000111.7E114 N120 T121 L122 E194E114-V118 HydrophobicContact CG-CG2 4.28Å; E114-V118 WeakPolarHBondContact O-CG2 3.38Å; E114-V118 PolarHBondContact O-N 2.97Å; V118-N120 VanDerWaalsContact C-N 3.29Å; V118-N120 PolarHBondContact O-N 3.31Å; V118-T121 PolarHBondContact O-N 2.9Å; V118-T121 VanDerWaalsContact O-N 3.1Å; V118-L122 HydrophobicContact CG1-CD1 4.11Å; V118-L122 HydrophobicContact CG1-CG 4.37Å; V118-L122 WeakPolarHBondContact O-CG 3.4Å; V118-L122 PolarHBondContact O-N 3.04Å; V118-E194 HydrophobicContact CG1-CG 4.14Å; V118-E194 WeakPolarHBondContact CG1-OE2 3.3Å
119A98.1Very high97.8Very high0 Ų065.3 Ų65.30%032%0.316CS..Hα-helixtrans-61.2-37.117700000112.5K24 W115 R117 D123K24-A119 HydrophobicContact CG-CB 4.44Å; W115-A119 WeakPolarHBondContact O-CB 3.18Å; W115-A119 PolarHBondContact O-N 3.42Å; R117-A119 PolarHBondContact O-N 2.77Å; A119-D123 WeakPolarHBondContact O-CB 3.05Å; A119-D123 PolarHBondContact O-N 2.82Å
120N98.2Very high97.7Very high65 Ų6563.1 Ų63.135%0.34830%0.304SS..Hα-helixtrans-73.7-25.8176.1-79.3-47.6000113.3K24 K116 R117 V118 K124K24-N120 WeakPolarHBondContact CE-OD1 3.31Å; K116-N120 WeakPolarHBondContact O-CB 3.31Å; K116-N120 PolarHBondContact O-N 3.15Å; K116-N120 PolarHBondContact O-ND2 3.29Å; R117-N120 PolarHBondContact O-N 2.76Å; V118-N120 VanDerWaalsContact C-N 3.29Å; V118-N120 PolarHBondContact O-N 3.31Å; N120-K124 VanDerWaalsContact O-CD 3.23Å; N120-K124 WeakPolarHBondContact O-CD 3.38Å; N120-K124 WeakPolarHBondContact O-CG 3.47Å; N120-K124 PolarHBondContact O-N 3.11Å
121T98.4Very high97.7Very high68 Ų6862.4 Ų62.442%0.41730%0.299SS..Hα-helixtrans-75.1-48.3172.4-62.10000111.1R117 V118 D123 K124 D125R117-T121 PolarHBondContact O-N 3.14Å; R117-T121 PolarHBondContact O-OG1 2.89Å; V118-T121 PolarHBondContact O-N 2.9Å; V118-T121 VanDerWaalsContact O-N 3.1Å; T121-D123 VanDerWaalsContact C-N 3.31Å; T121-D123 PolarHBondContact O-N 2.91Å; T121-K124 PolarHBondContact O-N 2.64Å; T121-D125 PolarHBondContact O-N 3.07Å
122L98.3Very high97.7Very high25 Ų2564.3 Ų64.313%0.13131%0.306CS..Hα-helixtrans-55.2-45.2178.1-73.5172.8000112.3I20 V118 D125 H126 R190 E194I20-L122 HydrophobicContact CD1-CB 3.98Å; V118-L122 HydrophobicContact CG1-CD1 4.11Å; V118-L122 HydrophobicContact CG1-CG 4.37Å; V118-L122 WeakPolarHBondContact O-CG 3.4Å; V118-L122 PolarHBondContact O-N 3.04Å; L122-D125 PolarHBondContact O-N 3.32Å; L122-H126 WeakPolarHBondContact O-CB 3.31Å; L122-H126 PolarHBondContact O-N 2.97Å; L122-R190 HydrophobicContact CD2-CB 4.25Å; L122-E194 HydrophobicContact CD1-CB 3.86Å; L122-E194 HydrophobicContact CD1-CG 3.84Å
123D98.3Very high97.5Very high34 Ų3465.1 Ų65.118%0.18231%0.313CS..Hα-helixtrans-63.5-44.9178.2-173.530.5000112.5Q17 I20 K24 A119 T121 H126 A127Q17-D123 PolarHBondContact NE2-OD1 3.24Å; I20-D123 HydrophobicContact CD1-CB 4.44Å; I20-D123 HydrophobicContact CG2-CB 3.97Å; K24-D123 IonicContact NZ-OD2 3.71Å; K24-D123 PolarHBondContact NZ-OD2 3.36Å; A119-D123 WeakPolarHBondContact O-CB 3.05Å; A119-D123 PolarHBondContact O-N 2.82Å; T121-D123 VanDerWaalsContact C-N 3.31Å; T121-D123 PolarHBondContact O-N 2.91Å; D123-H126 PolarHBondContact O-N 3.19Å; D123-A127 WeakPolarHBondContact O-CB 3.49Å; D123-A127 PolarHBondContact O-N 3.48Å
124K98.3Very high97.5Very high144 Ų14462.7 Ų62.763%0.62630%0.299SS*.Hα-helixtrans-63.3-42.4175.6-73.7168.7-169.8171.60112.3N120 T121 K128N120-K124 VanDerWaalsContact O-CD 3.23Å; N120-K124 WeakPolarHBondContact O-CD 3.38Å; N120-K124 WeakPolarHBondContact O-CG 3.47Å; N120-K124 PolarHBondContact O-N 3.11Å; T121-K124 PolarHBondContact O-N 2.64Å; K124-K128 VanDerWaalsContact O-CB 3.23Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 2.94Å
125D97.9Very high97.5Very high60 Ų6065.4 Ų65.432%0.32131%0.312SS..Hα-helixtrans-70.6-38.2-179.8-80.2-22.8000112.1T121 L122 K128 E129T121-D125 PolarHBondContact O-N 3.07Å; L122-D125 PolarHBondContact O-N 3.32Å; D125-K128 PolarHBondContact O-N 3.21Å; D125-E129 PolarHBondContact O-N 2.9Å
126H98.1Very high97.4Very high14 Ų1468.7 Ų68.77%0.06533%0.327CS..Hα-helixtrans-60.2-54.1170.5174.6-107.1000111.2F16 L122 D123 K128 E129 Y130 E184F16-H126 HydrophobicContact CD1-CB 4.08Å; F16-H126 AromaticContact CD1-CE1 3.69Å; F16-H126 AromaticContact CD1-CG 3.53Å; F16-H126 AromaticContact CD1-ND1 3.32Å; F16-H126 VanDerWaalsContact CD1-ND1 3.32Å; F16-H126 WeakPolarHBondContact CD1-ND1 3.43Å; F16-H126 HydrophobicContact CE1-CB 3.3Å; F16-H126 AromaticContact CE1-CG 3.29Å; F16-H126 AromaticContact CE1-ND1 3.33Å; F16-H126 VanDerWaalsContact CE1-ND1 3.33Å; F16-H126 WeakPolarHBondContact CE1-ND1 3.44Å; F16-H126 HydrophobicContact CE2-CB 4.25Å; F16-H126 HydrophobicContact CZ-CB 3.4Å; F16-H126 VanDerWaalsContact CZ-CB 3.4Å; F16-H126 AromaticContact CZ-CG 3.8Å; L122-H126 WeakPolarHBondContact O-CB 3.31Å; L122-H126 PolarHBondContact O-N 2.97Å; D123-H126 PolarHBondContact O-N 3.19Å; H126-K128 PolarHBondContact O-N 2.94Å; H126-E129 PolarHBondContact O-N 2.94Å; H126-Y130 WeakPolarHBondContact O-CB 3.48Å; H126-Y130 PolarHBondContact O-N 3.48Å; H126-E184 IonicContact CD2-OE1 2.64Å; H126-E184 PolarHBondContact CD2-OE1 3.12Å; H126-E184 IonicContact CD2-OE2 3Å; H126-E184 IonicContact CE1-OE2 2.67Å; H126-E184 VanDerWaalsContact NE2-CD 3.26Å; H126-E184 IonicContact NE2-OE1 2.86Å; H126-E184 PolarHBondContact NE2-OE1 3.3Å; H126-E184 IonicContact NE2-OE2 3.72Å; H126-E184 PolarHBondContact NE2-OE2 3.15Å
127A97.6Very high97.3Very high52 Ų5266.7 Ų66.743%0.4332%0.319SS..Hα-helixtrans-58.5-33.2-18000000112.9D123 K131D123-A127 WeakPolarHBondContact O-CB 3.49Å; D123-A127 PolarHBondContact O-N 3.48Å; A127-K131 WeakPolarHBondContact O-CB 3.07Å; A127-K131 PolarHBondContact O-N 3.4Å
128K97.6Very high97.2Very high125 Ų12568.1 Ų68.154%0.54333%0.329SS..Hα-helixtrans-70.4-54.8175.5174.3-175.4163.6-164.70112.2K124 D125 H126 K131 K132K124-K128 VanDerWaalsContact O-CB 3.23Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 2.94Å; D125-K128 PolarHBondContact O-N 3.21Å; H126-K128 PolarHBondContact O-N 2.94Å; K128-K131 PolarHBondContact O-N 3.36Å; K128-K132 WeakPolarHBondContact O-CB 3.45Å; K128-K132 PolarHBondContact O-N 3.15Å
129E96Very high97.2Very high65 Ų6573 Ų7330%0.30435%0.346SS..Hα-helixtrans-73.1-37.3-175.5-67.2-59126.400112.2D125 H126 K131 K132 A133D125-E129 PolarHBondContact O-N 2.9Å; H126-E129 PolarHBondContact O-N 2.94Å; E129-K131 VanDerWaalsContact C-N 3.34Å; E129-K131 PolarHBondContact O-N 3.26Å; E129-K132 PolarHBondContact O-N 2.89Å; E129-K132 IonicContact OE1-NZ 2.72Å; E129-K132 WeakPolarHBondContact OE2-CD 3.21Å; E129-K132 IonicContact OE2-NZ 3.26Å; E129-K132 PolarHBondContact OE2-NZ 3.47Å; E129-A133 WeakPolarHBondContact O-CB 3.43Å; E129-A133 PolarHBondContact O-N 3.27Å
130Y96Very high97.1Very high67 Ų6778.5 Ų78.526%0.26337%0.367SS..Hα-helixtrans-57.5-46.4171.6178.1-103.4000111.4H126 K132 A133 R134 L180 E184H126-Y130 WeakPolarHBondContact O-CB 3.48Å; H126-Y130 PolarHBondContact O-N 3.48Å; Y130-K132 PolarHBondContact O-N 2.87Å; Y130-A133 PolarHBondContact O-N 3.48Å; Y130-R134 HydrophobicContact CD1-CG 4.37Å; Y130-R134 HydrophobicContact CD2-CG 4.42Å; Y130-R134 HydrophobicContact CE1-CG 3.94Å; Y130-R134 HydrophobicContact CE2-CG 3.97Å; Y130-R134 WeakPolarHBondContact O-CB 3.42Å; Y130-R134 WeakPolarHBondContact O-CG 3.36Å; Y130-R134 PolarHBondContact O-N 2.99Å; Y130-R134 PolarHBondContact OH-NE 3.04Å; Y130-R134 PolarHBondContact OH-NH2 3.26Å; Y130-L180 HydrophobicContact CD2-CD1 3.73Å; Y130-L180 HydrophobicContact CE2-CD1 3.98Å; Y130-L180 HydrophobicContact CE2-CD2 4.46Å; Y130-E184 HydrophobicContact CD2-CG 4.37Å; Y130-E184 WeakPolarHBondContact CD2-OE1 3.4Å
131K96.9Very high96.9Very high134 Ų13477.2 Ų77.258%0.58336%0.363SS*.Hα-helixtrans-63.7-40178.1-175.9174.9-176.9176.60112.1A127 K128 E129 Q135A127-K131 WeakPolarHBondContact O-CB 3.07Å; A127-K131 PolarHBondContact O-N 3.4Å; K128-K131 PolarHBondContact O-N 3.36Å; E129-K131 VanDerWaalsContact C-N 3.34Å; E129-K131 PolarHBondContact O-N 3.26Å; K131-Q135 WeakPolarHBondContact O-CB 3.45Å; K131-Q135 VanDerWaalsContact O-CG 3.24Å; K131-Q135 WeakPolarHBondContact O-CG 3.26Å; K131-Q135 PolarHBondContact O-N 2.99Å
132K96.8Very high96.9Very high95 Ų9576.5 Ų76.541%0.41336%0.361SS..Hα-helixtrans-64.9-50.3175.1172-178.4151.1-150.30111.6K128 E129 Y130 R134 Q135 E136K128-K132 WeakPolarHBondContact O-CB 3.45Å; K128-K132 PolarHBondContact O-N 3.15Å; E129-K132 PolarHBondContact O-N 2.89Å; E129-K132 IonicContact OE1-NZ 2.72Å; E129-K132 WeakPolarHBondContact OE2-CD 3.21Å; E129-K132 IonicContact OE2-NZ 3.26Å; E129-K132 PolarHBondContact OE2-NZ 3.47Å; Y130-K132 PolarHBondContact O-N 2.87Å; K132-R134 PolarHBondContact O-N 3.49Å; K132-Q135 WeakPolarHBondContact O-CB 3.48Å; K132-Q135 PolarHBondContact O-N 2.92Å; K132-Q135 VanDerWaalsContact O-N 3.08Å; K132-E136 PolarHBondContact O-N 3.12Å
133A95.6Very high96.7Very high20 Ų2078.6 Ų78.617%0.16537%0.373CS..Hα-helixtrans-60.1-44.7177.700000112.1E129 Y130 Q135 E136 I137 L180E129-A133 WeakPolarHBondContact O-CB 3.43Å; E129-A133 PolarHBondContact O-N 3.27Å; Y130-A133 PolarHBondContact O-N 3.48Å; A133-Q135 VanDerWaalsContact C-N 3.31Å; A133-Q135 PolarHBondContact O-N 3.09Å; A133-E136 PolarHBondContact O-N 3Å; A133-I137 WeakPolarHBondContact O-CG1 3.41Å; A133-I137 PolarHBondContact O-N 3.37Å; A133-L180 HydrophobicContact CB-CD1 3.82Å
134R94.9Very high96.6Very high60 Ų6077.7 Ų77.723%0.22637%0.368CS..Hα-helixtrans-61-35172.8-77-63-154154.54.6113.2E6 Y130 K132 K138 L180E6-R134 IonicContact OE1-CZ 2.61Å; E6-R134 VanDerWaalsContact OE1-CZ 3.22Å; E6-R134 IonicContact OE1-NH1 3.61Å; E6-R134 PolarHBondContact OE1-NH1 3.14Å; E6-R134 IonicContact OE1-NH2 3.51Å; E6-R134 PolarHBondContact OE1-NH2 3.38Å; Y130-R134 HydrophobicContact CD1-CG 4.37Å; Y130-R134 HydrophobicContact CD2-CG 4.42Å; Y130-R134 HydrophobicContact CE1-CG 3.94Å; Y130-R134 HydrophobicContact CE2-CG 3.97Å; Y130-R134 WeakPolarHBondContact O-CB 3.42Å; Y130-R134 WeakPolarHBondContact O-CG 3.36Å; Y130-R134 PolarHBondContact O-N 2.99Å; Y130-R134 PolarHBondContact OH-NE 3.04Å; Y130-R134 PolarHBondContact OH-NH2 3.26Å; K132-R134 PolarHBondContact O-N 3.49Å; R134-K138 VanDerWaalsContact O-CB 3.31Å; R134-K138 WeakPolarHBondContact O-CB 3.29Å; R134-K138 PolarHBondContact O-N 2.94Å; R134-L180 HydrophobicContact CG-CD2 4.45Å
135Q96.8Very high96.4Very high121 Ų12175.1 Ų75.157%0.56536%0.361SS*.Hα-helixtrans-70.5-39.6173.9-77.3175.6-2.400112.5K131 K132 A133 K138 K139K131-Q135 WeakPolarHBondContact O-CB 3.45Å; K131-Q135 VanDerWaalsContact O-CG 3.24Å; K131-Q135 WeakPolarHBondContact O-CG 3.26Å; K131-Q135 PolarHBondContact O-N 2.99Å; K132-Q135 WeakPolarHBondContact O-CB 3.48Å; K132-Q135 PolarHBondContact O-N 2.92Å; K132-Q135 VanDerWaalsContact O-N 3.08Å; A133-Q135 VanDerWaalsContact C-N 3.31Å; A133-Q135 PolarHBondContact O-N 3.09Å; Q135-K138 PolarHBondContact O-N 3.21Å; Q135-K139 WeakPolarHBondContact O-CB 3.44Å; Q135-K139 PolarHBondContact O-N 3.5Å
136E96.6Very high96.3Very high73 Ų7377.4 Ų77.434%0.34137%0.368SS..Hα-helixtrans-63.9-46175.2-75.1-173.3-14400112.3K132 A133 K139 R140 K176K132-E136 PolarHBondContact O-N 3.12Å; A133-E136 PolarHBondContact O-N 3Å; E136-K139 WeakPolarHBondContact O-CB 3.43Å; E136-K139 PolarHBondContact O-N 2.87Å; E136-R140 WeakPolarHBondContact O-CG 3.36Å; E136-R140 PolarHBondContact O-N 2.92Å; E136-K176 IonicContact OE2-NZ 2.65Å; E136-K176 PolarHBondContact OE2-NZ 3.49Å
137I95.8Very high96.1Very high4 Ų477.9 Ų77.92%0.02137%0.371CS..Hα-helixtrans-55.9-54.5172.7-68.3162.8000109.5A133 K139 R140 S141 K176 Y177 L180A133-I137 WeakPolarHBondContact O-CG1 3.41Å; A133-I137 PolarHBondContact O-N 3.37Å; I137-K139 PolarHBondContact O-N 3.15Å; I137-K139 VanDerWaalsContact O-N 3.16Å; I137-R140 PolarHBondContact O-N 2.99Å; I137-R140 VanDerWaalsContact O-N 3.07Å; I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 PolarHBondContact O-OG 3.25Å; I137-S141 VanDerWaalsContact O-OG 3.07Å; I137-K176 HydrophobicContact CG1-CB 3.81Å; I137-Y177 HydrophobicContact CD1-CD1 4.08Å; I137-Y177 HydrophobicContact CD1-CE1 4.32Å; I137-Y177 HydrophobicContact CD1-CG 4.39Å; I137-Y177 HydrophobicContact CG2-CD2 4.28Å; I137-Y177 HydrophobicContact CG2-CE1 4.13Å; I137-Y177 HydrophobicContact CG2-CE2 3.71Å; I137-L180 HydrophobicContact CD1-CB 3.96Å; I137-L180 HydrophobicContact CD1-CD2 3.64Å; I137-L180 HydrophobicContact CD1-CG 4.4Å
138K96.7Very high95.8Very high164 Ų16478.3 Ų78.371%0.71336%0.364SS*.Hα-helixtrans-57.3-34.6-179.1-175.5173.4-178.9174.80112.9R134 Q135 S142R134-K138 VanDerWaalsContact O-CB 3.31Å; R134-K138 WeakPolarHBondContact O-CB 3.29Å; R134-K138 PolarHBondContact O-N 2.94Å; Q135-K138 PolarHBondContact O-N 3.21Å; K138-S142 VanDerWaalsContact O-CB 3.3Å; K138-S142 WeakPolarHBondContact O-CB 3.46Å; K138-S142 PolarHBondContact O-N 2.98Å
139K97.5Very high95.6Very high142 Ų14278.7 Ų78.762%0.61737%0.366SS*.Hα-helixtrans-66.3-55.7173-177-178.2176.3-1760110.9Q135 E136 I137 S141 S142 D143Q135-K139 WeakPolarHBondContact O-CB 3.44Å; Q135-K139 PolarHBondContact O-N 3.5Å; E136-K139 WeakPolarHBondContact O-CB 3.43Å; E136-K139 PolarHBondContact O-N 2.87Å; I137-K139 PolarHBondContact O-N 3.15Å; I137-K139 VanDerWaalsContact O-N 3.16Å; K139-S141 PolarHBondContact O-N 3.46Å; K139-S142 WeakPolarHBondContact O-CB 3.32Å; K139-S142 PolarHBondContact O-N 3.26Å; K139-S142 VanDerWaalsContact O-N 3.11Å; K139-D143 PolarHBondContact O-N 2.83Å
140R96.2Very high95.3Very high116 Ų11682.2 Ų82.244%0.43838%0.38SS..Hα-helixtrans-57.5-50.3-179.1-69.1-73.9178172.7-2.2111.4E136 I137 S142 D143 T144 D172 V173E136-R140 WeakPolarHBondContact O-CG 3.36Å; E136-R140 PolarHBondContact O-N 2.92Å; I137-R140 PolarHBondContact O-N 2.99Å; I137-R140 VanDerWaalsContact O-N 3.07Å; R140-S142 VanDerWaalsContact C-N 3.26Å; R140-S142 PolarHBondContact O-N 3.37Å; R140-D143 PolarHBondContact O-N 3.04Å; R140-T144 PolarHBondContact O-N 3.13Å; R140-T144 PolarHBondContact O-OG1 2.89Å; R140-D172 VanDerWaalsContact CD-OD2 3.3Å; R140-D172 WeakPolarHBondContact CD-OD2 3.38Å; R140-D172 IonicContact CZ-OD2 2.84Å; R140-D172 VanDerWaalsContact CZ-OD2 3.26Å; R140-D172 IonicContact NE-OD2 2.65Å; R140-D172 IonicContact NH1-OD2 2.63Å; R140-D172 PolarHBondContact NH1-OD2 3.47Å; R140-V173 HydrophobicContact CB-CG2 3.82Å
141S95.5Very high94.9Very high38 Ų3879.1 Ų79.127%0.26637%0.368SS..Hα-helixtrans-59.6-34.5177.1-48.30000112.9I137 K139 L145 V173I137-S141 PolarHBondContact O-N 2.89Å; I137-S141 PolarHBondContact O-OG 3.25Å; I137-S141 VanDerWaalsContact O-OG 3.07Å; K139-S141 PolarHBondContact O-N 3.46Å; S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.31Å; S141-L145 PolarHBondContact O-N 3.06Å; S141-V173 WeakPolarHBondContact OG-CG1 3.49Å
142S96.8Very high94.5Very high54 Ų5479.2 Ų79.238%0.37837%0.368SS..Hα-helixtrans-67.5-41.3175-171.90000112.2K138 K139 R140 K146K138-S142 VanDerWaalsContact O-CB 3.3Å; K138-S142 WeakPolarHBondContact O-CB 3.46Å; K138-S142 PolarHBondContact O-N 2.98Å; K139-S142 WeakPolarHBondContact O-CB 3.32Å; K139-S142 PolarHBondContact O-N 3.26Å; K139-S142 VanDerWaalsContact O-N 3.11Å; R140-S142 VanDerWaalsContact C-N 3.26Å; R140-S142 PolarHBondContact O-N 3.37Å; S142-K146 WeakPolarHBondContact O-CE 3.36Å; S142-K146 VanDerWaalsContact O-CG 3.3Å; S142-K146 WeakPolarHBondContact O-CG 3.27Å; S142-K146 PolarHBondContact O-N 2.67Å; S142-K146 VanDerWaalsContact O-N 3.13Å; S142-K146 WeakPolarHBondContact OG-CE 3.39Å
143D95.6Very high93.9Very high69 Ų6981.8 Ų81.837%0.36938%0.38SS..Hα-helixtrans-72.3-40.2178.6-68.4-35.2000111.7K139 R140 L145 K146 L147K139-D143 PolarHBondContact O-N 2.83Å; R140-D143 PolarHBondContact O-N 3.04Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.14Å; D143-K146 WeakPolarHBondContact O-CB 3.37Å; D143-K146 PolarHBondContact O-N 3Å; D143-K146 VanDerWaalsContact O-N 3.12Å; D143-K146 IonicContact OD1-NZ 3.87Å; D143-K146 PolarHBondContact OD1-NZ 3.34Å; D143-L147 PolarHBondContact O-N 3.33Å
144T95.2Very high93.3Very high15 Ų1581.6 Ų81.69%0.09238%0.378CS..Hα-helixtrans-59.8-41171.1-52.60000111.8R140 K146 L147 Q148 L166 A169 M170R140-T144 PolarHBondContact O-N 3.13Å; R140-T144 PolarHBondContact O-OG1 2.89Å; T144-K146 VanDerWaalsContact C-N 3.35Å; T144-K146 PolarHBondContact O-N 3.13Å; T144-L147 PolarHBondContact O-N 2.78Å; T144-Q148 PolarHBondContact O-N 3.37Å; T144-L166 HydrophobicContact CG2-CD1 4.14Å; T144-A169 HydrophobicContact CG2-CB 3.91Å; T144-A169 WeakPolarHBondContact CG2-O 3.23Å; T144-A169 PolarHBondContact OG1-O 3.24Å; T144-M170 HydrophobicContact CG2-CG 3.66Å
145L95.6Very high92.4Very high89 Ų8982.5 Ų82.547%0.46639%0.387SS..Hα-helixtrans-66.2-33.2174.7-177.263.4000112.9S141 D143 K149S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.31Å; S141-L145 PolarHBondContact O-N 3.06Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.14Å; L145-K149 WeakPolarHBondContact O-CG 3.43Å; L145-K149 PolarHBondContact O-N 2.82Å
146K94.9Very high91.5Very high108 Ų10885.2 Ų85.247%0.4740%0.398SS..Hα-helixtrans-67.9-40.8172-65.9161.4-152.3163.40110.6S142 D143 T144 K149 K150S142-K146 WeakPolarHBondContact O-CE 3.36Å; S142-K146 VanDerWaalsContact O-CG 3.3Å; S142-K146 WeakPolarHBondContact O-CG 3.27Å; S142-K146 PolarHBondContact O-N 2.67Å; S142-K146 VanDerWaalsContact O-N 3.13Å; S142-K146 WeakPolarHBondContact OG-CE 3.39Å; D143-K146 WeakPolarHBondContact O-CB 3.37Å; D143-K146 PolarHBondContact O-N 3Å; D143-K146 VanDerWaalsContact O-N 3.12Å; D143-K146 IonicContact OD1-NZ 3.87Å; D143-K146 PolarHBondContact OD1-NZ 3.34Å; T144-K146 VanDerWaalsContact C-N 3.35Å; T144-K146 PolarHBondContact O-N 3.13Å; K146-K149 PolarHBondContact O-N 3.32Å; K146-K150 PolarHBondContact O-N 3.18Å; K146-K150 VanDerWaalsContact O-N 3.16Å
147L93.1Very high90.6Very high24 Ų2489.6 Ų89.613%0.12642%0.416CS..Hα-helixtrans-67-42.5177.8-175.255.8000111.8D143 T144 K149 K150 A151 Q165 L166 A169D143-L147 PolarHBondContact O-N 3.33Å; T144-L147 PolarHBondContact O-N 2.78Å; L147-K149 PolarHBondContact O-N 2.95Å; L147-K150 CarbonylContact O-C 3.54Å; L147-K150 WeakPolarHBondContact O-CA 3.31Å; L147-K150 WeakPolarHBondContact O-CB 3.38Å; L147-K150 PolarHBondContact O-N 3.02Å; L147-A151 PolarHBondContact O-N 3.33Å; L147-Q165 HydrophobicContact CD2-CB 4.15Å; L147-Q165 HydrophobicContact CD2-CG 3.83Å; L147-Q165 WeakPolarHBondContact CD2-O 3.33Å; L147-L166 HydrophobicContact CG-CB 4.43Å; L147-A169 HydrophobicContact CD2-CB 3.9Å
148Q92Very high89.2Confident61 Ų6192.8 Ų92.829%0.28545%0.45SS..Hα-helixtrans-58.7-36.7174.2-163.7-169.790.500112.1T144 K150 K152 L166T144-Q148 PolarHBondContact O-N 3.37Å; Q148-K150 VanDerWaalsContact C-N 3.3Å; Q148-K150 PolarHBondContact O-N 3.31Å; Q148-K152 HydrophobicContact CG-CD 4.38Å; Q148-K152 WeakPolarHBondContact O-CB 3.41Å; Q148-K152 WeakPolarHBondContact O-CG 3.46Å; Q148-K152 PolarHBondContact O-N 3.46Å; Q148-K152 VanDerWaalsContact OE1-NZ 3.07Å; Q148-L166 HydrophobicContact CB-CD1 3.74Å; Q148-L166 HydrophobicContact CB-CD2 4.3Å; Q148-L166 HydrophobicContact CG-CD1 4.16Å; Q148-L166 HydrophobicContact CG-CD2 3.96Å
149K92.6Very high87.7Confident134 Ų13494.2 Ų94.258%0.58345%0.451SS*.Hα-helixtrans-72.9-17.6173.8-71.9175-179.3-177.70113.9L145 K146 L147L145-K149 WeakPolarHBondContact O-CG 3.43Å; L145-K149 PolarHBondContact O-N 2.82Å; K146-K149 PolarHBondContact O-N 3.32Å; L147-K149 PolarHBondContact O-N 2.95Å
150K90.4Very high86.1Confident139 Ų13990 Ų9060%0.60445%0.448SS*.Hα-helixtrans-85.4-47.7170.6-71.4179.5176.1-175.90111.4K146 L147 Q148 K153 A154 L162K146-K150 PolarHBondContact O-N 3.18Å; K146-K150 VanDerWaalsContact O-N 3.16Å; L147-K150 CarbonylContact O-C 3.54Å; L147-K150 WeakPolarHBondContact O-CA 3.31Å; L147-K150 WeakPolarHBondContact O-CB 3.38Å; L147-K150 PolarHBondContact O-N 3.02Å; Q148-K150 VanDerWaalsContact C-N 3.3Å; Q148-K150 PolarHBondContact O-N 3.31Å; K150-K153 WeakPolarHBondContact O-CB 3.33Å; K150-K153 PolarHBondContact O-N 3.5Å; K150-A154 PolarHBondContact O-N 3.25Å; K150-L162 HydrophobicContact CB-CD1 4.03Å
151A88.3Confident85.2Confident1 Ų191.3 Ų91.31%0.00846%0.464CS..Hα-helixtrans-52.4-57.5176.800000111L147 K153 A154 D155 L162 L166L147-A151 PolarHBondContact O-N 3.33Å; A151-K153 CarbonylContact O-C 3.59Å; A151-K153 PolarHBondContact O-N 2.94Å; A151-A154 WeakPolarHBondContact O-CA 3.16Å; A151-A154 WeakPolarHBondContact O-CB 3.48Å; A151-A154 PolarHBondContact O-N 2.87Å; A151-D155 PolarHBondContact O-N 2.88Å; A151-L162 HydrophobicContact CB-CB 4.11Å; A151-L166 HydrophobicContact CB-CD2 4.13Å
152K86.8Confident84.7Confident136 Ų13691.8 Ų91.859%0.59146%0.463SS*.Hα-helixtrans-55.5-18.3176.9-72.2175.9174171.50115.5Q148 D155Q148-K152 HydrophobicContact CG-CD 4.38Å; Q148-K152 WeakPolarHBondContact O-CB 3.41Å; Q148-K152 WeakPolarHBondContact O-CG 3.46Å; Q148-K152 PolarHBondContact O-N 3.46Å; Q148-K152 VanDerWaalsContact OE1-NZ 3.07Å; K152-D155 WeakPolarHBondContact CA-OD2 3.36Å; K152-D155 PolarHBondContact N-OD2 2.79Å
153K86Confident84.2Confident150 Ų15092.7 Ų92.765%0.65246%0.461SS*.Hα-helixtrans-89.6-41.3170.6-74.3-173.4173.6-165.80112K150 A151 D155 F156 F157K150-K153 WeakPolarHBondContact O-CB 3.33Å; K150-K153 PolarHBondContact O-N 3.5Å; A151-K153 CarbonylContact O-C 3.59Å; A151-K153 PolarHBondContact O-N 2.94Å; K153-D155 VanDerWaalsContact C-N 3.33Å; K153-F156 PolarHBondContact O-N 3.31Å; K153-F157 WeakPolarHBondContact O-CD2 3.48Å; K153-F157 PolarHBondContact O-N 3.02Å
154A81.8Confident84Confident16 Ų1693.7 Ų93.713%0.13247%0.471CS..Hα-helixtrans-64.6-36.817800000112.3K150 A151 F156 F157 G158 R159 L162K150-A154 PolarHBondContact O-N 3.25Å; A151-A154 WeakPolarHBondContact O-CA 3.16Å; A151-A154 WeakPolarHBondContact O-CB 3.48Å; A151-A154 PolarHBondContact O-N 2.87Å; A154-F156 VanDerWaalsContact C-N 3.32Å; A154-F156 PolarHBondContact O-N 3.38Å; A154-F157 CarbonylContact O-C 3.51Å; A154-F157 VanDerWaalsContact O-C 3.27Å; A154-F157 WeakPolarHBondContact O-CA 3.45Å; A154-F157 PolarHBondContact O-N 3.16Å; A154-G158 PolarHBondContact O-N 2.88Å; A154-R159 HydrophobicContact CB-CB 4.25Å; A154-R159 WeakPolarHBondContact CB-O 3.43Å; A154-R159 PolarHBondContact O-N 3.17Å; A154-L162 HydrophobicContact CB-CD1 3.73Å; A154-L162 HydrophobicContact CB-CG 4.35Å
155D77.2Confident83.8Confident78 Ų7898.4 Ų98.442%0.41749%0.492SS..G310 helixtrans-58.8-43.9174.4-55-36.6000111.2A151 K152 K153 F157 G158A151-D155 PolarHBondContact O-N 2.88Å; K152-D155 WeakPolarHBondContact CA-OD2 3.36Å; K152-D155 PolarHBondContact N-OD2 2.79Å; K153-D155 VanDerWaalsContact C-N 3.33Å; D155-F157 PolarHBondContact O-N 3.25Å; D155-G158 PolarHBondContact O-N 3.04Å
156F76.4Confident83.6Confident179 Ų17994.6 Ų94.679%0.78547%0.472SS*.G310 helixtrans-65.7-17.1176.6-159.6-89.4000113.3K153 A154K153-F156 PolarHBondContact O-N 3.31Å; A154-F156 VanDerWaalsContact C-N 3.32Å; A154-F156 PolarHBondContact O-N 3.38Å
157F78.3Confident83.4Confident165 Ų16592.9 Ų92.972%0.72447%0.468SS*.G310 helixtrans-11116.2173.8-65.3-65.3000113K153 A154 D155 R159K153-F157 WeakPolarHBondContact O-CD2 3.48Å; K153-F157 PolarHBondContact O-N 3.02Å; A154-F157 CarbonylContact O-C 3.51Å; A154-F157 VanDerWaalsContact O-C 3.27Å; A154-F157 WeakPolarHBondContact O-CA 3.45Å; A154-F157 PolarHBondContact O-N 3.16Å; D155-F157 PolarHBondContact O-N 3.25Å; F157-R159 VanDerWaalsContact C-N 3.33Å; F157-R159 PolarHBondContact O-N 3.44Å
158G66.3Low83.5Confident71 Ų7195.4 Ų95.473%0.73249%0.488SS*.THydrogen-bonded Turntrans70.515.8173.900000116.3A154 D155A154-G158 PolarHBondContact O-N 2.88Å; D155-G158 PolarHBondContact O-N 3.04Å
159R65.8Low83.7Confident193 Ų19393.2 Ų93.273%0.72848%0.48SS*.  trans-10178.2176.7-69.4-171-173.7-100.24.3111.5A154 F157 D161A154-R159 HydrophobicContact CB-CB 4.25Å; A154-R159 WeakPolarHBondContact CB-O 3.43Å; A154-R159 PolarHBondContact O-N 3.17Å; F157-R159 VanDerWaalsContact C-N 3.33Å; F157-R159 PolarHBondContact O-N 3.44Å; R159-D161 PolarHBondContact O-N 2.86Å
160G64.3Low83.8Confident54 Ų5490.3 Ų90.356%0.55747%0.469SS*.G310 helixtrans-6910.6-175.500000117.5L162G160-L162 VanDerWaalsContact C-N 3.34Å; G160-L162 PolarHBondContact O-N 2.87Å
161D76.6Confident84Confident144 Ų14488.6 Ų88.677%0.7746%0.464SS*.G310 helixtrans-82.5-6.4-170.5-158.534.9000114R159R159-D161 PolarHBondContact O-N 2.86Å
162L84.4Confident84.3Confident47 Ų4791.2 Ų91.225%0.24648%0.478CS..G310 helixtrans-89.8-13.6180-67-175.6000114.4K150 A151 A154 G160 Q165 L166K150-L162 HydrophobicContact CB-CD1 4.03Å; A151-L162 HydrophobicContact CB-CB 4.11Å; A154-L162 HydrophobicContact CB-CD1 3.73Å; A154-L162 HydrophobicContact CB-CG 4.35Å; G160-L162 VanDerWaalsContact C-N 3.34Å; G160-L162 PolarHBondContact O-N 2.87Å; L162-Q165 PolarHBondContact O-N 2.64Å; L162-L166 PolarHBondContact O-N 3.31Å
163Q87.1Confident84.8Confident74 Ų7485 Ų8535%0.34645%0.451SS..Hα-helixtrans-65.2-46.1-175.7-176.657.836.200113Q165 L166 D167Q163-Q165 PolarHBondContact O-N 2.8Å; Q163-L166 WeakPolarHBondContact O-CB 3.36Å; Q163-L166 PolarHBondContact O-N 2.99Å; Q163-D167 PolarHBondContact NE2-OD1 3.31Å; Q163-D167 PolarHBondContact NE2-OD2 3.49Å; Q163-D167 PolarHBondContact O-N 3.2Å
164P90.2Very high85.2Confident89 Ų8978.9 Ų78.958%0.57843%0.427SS*.Hα-helixtrans-61.5-33.3176.8-22.234.2000113S168P164-S168 WeakPolarHBondContact O-CB 3.43Å; P164-S168 PolarHBondContact O-N 2.72Å
165Q90.9Very high85.8Confident115 Ų11581.7 Ų81.754%0.53744%0.44SS..Hα-helixtrans-70-36.4176.3-159.6-175.443.800111.7L147 L162 Q163 A169L147-Q165 HydrophobicContact CD2-CB 4.15Å; L147-Q165 HydrophobicContact CD2-CG 3.83Å; L147-Q165 WeakPolarHBondContact CD2-O 3.33Å; L162-Q165 PolarHBondContact O-N 2.64Å; Q163-Q165 PolarHBondContact O-N 2.8Å; Q165-A169 VanDerWaalsContact O-CB 3.3Å; Q165-A169 WeakPolarHBondContact O-CB 3.48Å; Q165-A169 PolarHBondContact O-N 3.31Å
166L91.8Very high86.7Confident9 Ų980.5 Ų80.55%0.04743%0.431CS..Hα-helixtrans-66.1-45.5173.7173.561.1000111.5T144 L147 Q148 A151 L162 Q163 A169 M170T144-L166 HydrophobicContact CG2-CD1 4.14Å; L147-L166 HydrophobicContact CG-CB 4.43Å; Q148-L166 HydrophobicContact CB-CD1 3.74Å; Q148-L166 HydrophobicContact CB-CD2 4.3Å; Q148-L166 HydrophobicContact CG-CD1 4.16Å; Q148-L166 HydrophobicContact CG-CD2 3.96Å; A151-L166 HydrophobicContact CB-CD2 4.13Å; L162-L166 PolarHBondContact O-N 3.31Å; Q163-L166 WeakPolarHBondContact O-CB 3.36Å; Q163-L166 PolarHBondContact O-N 2.99Å; L166-A169 CarbonylContact O-C 3.27Å; L166-A169 PolarHBondContact O-N 3Å; L166-A169 VanDerWaalsContact O-N 3.14Å; L166-M170 HydrophobicContact CD1-CG 4.28Å; L166-M170 HydrophobicContact CD1-SD 4.46Å; L166-M170 HydrophobicContact CG-CE 4.27Å; L166-M170 WeakPolarHBondContact O-CG 3.32Å; L166-M170 PolarHBondContact O-N 3.42Å
167D91.9Very high87.6Confident72 Ų7273 Ų7339%0.38540%0.398SS..Hα-helixtrans-65.1-42.6-179.8-66.3-37000111.3Q163 A169 M170 Q171Q163-D167 PolarHBondContact NE2-OD1 3.31Å; Q163-D167 PolarHBondContact NE2-OD2 3.49Å; Q163-D167 PolarHBondContact O-N 3.2Å; D167-A169 VanDerWaalsContact C-N 3.34Å; D167-A169 PolarHBondContact O-N 3.48Å; D167-M170 PolarHBondContact O-N 3.44Å; D167-M170 WeakPolarHBondContact OD1-CE 3.4Å; D167-Q171 PolarHBondContact O-N 3.43Å
168S95Very high88.4Confident76 Ų7668.7 Ų68.753%0.53138%0.381SS..Hα-helixtrans-56-45.6168.8172.60000112P164 M170 Q171 D172P164-S168 WeakPolarHBondContact O-CB 3.43Å; P164-S168 PolarHBondContact O-N 2.72Å; S168-M170 VanDerWaalsContact C-N 3.3Å; S168-M170 PolarHBondContact O-N 2.96Å; S168-Q171 PolarHBondContact O-N 2.92Å; S168-D172 WeakPolarHBondContact O-CB 3.41Å; S168-D172 PolarHBondContact O-N 3.12Å
169A95.5Very high89.8Confident15 Ų1569.9 Ų69.912%0.12437%0.37CS..Hα-helixtrans-69.2-21.3178.900000114.2T144 L147 Q165 L166 D167 V173T144-A169 HydrophobicContact CG2-CB 3.91Å; T144-A169 WeakPolarHBondContact CG2-O 3.23Å; T144-A169 PolarHBondContact OG1-O 3.24Å; L147-A169 HydrophobicContact CD2-CB 3.9Å; Q165-A169 VanDerWaalsContact O-CB 3.3Å; Q165-A169 WeakPolarHBondContact O-CB 3.48Å; Q165-A169 PolarHBondContact O-N 3.31Å; L166-A169 CarbonylContact O-C 3.27Å; L166-A169 PolarHBondContact O-N 3Å; L166-A169 VanDerWaalsContact O-N 3.14Å; D167-A169 VanDerWaalsContact C-N 3.34Å; D167-A169 PolarHBondContact O-N 3.48Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å
170M94.3Very high91.2Very high73 Ų7360.7 Ų60.736%0.3634%0.336SS..Hα-helixtrans-81.3-34.4171.1-69.3-171.1-58.300111.9T144 L166 D167 S168 V173 S174T144-M170 HydrophobicContact CG2-CG 3.66Å; L166-M170 HydrophobicContact CD1-CG 4.28Å; L166-M170 HydrophobicContact CD1-SD 4.46Å; L166-M170 HydrophobicContact CG-CE 4.27Å; L166-M170 WeakPolarHBondContact O-CG 3.32Å; L166-M170 PolarHBondContact O-N 3.42Å; D167-M170 PolarHBondContact O-N 3.44Å; D167-M170 WeakPolarHBondContact OD1-CE 3.4Å; S168-M170 VanDerWaalsContact C-N 3.3Å; S168-M170 PolarHBondContact O-N 2.96Å; M170-V173 PolarHBondContact O-N 3.4Å; M170-S174 PolarHBondContact O-N 2.82Å; M170-S174 VanDerWaalsContact O-N 3.14Å; M170-S174 PolarHBondContact O-OG 3.4Å
171Q95Very high92.7Very high104 Ų10459.6 Ų59.649%0.48632%0.316SS..Hα-helixtrans-63.7-45.7170.5-169.262.245.300110.8D167 S168 V173 S174 D175D167-Q171 PolarHBondContact O-N 3.43Å; S168-Q171 PolarHBondContact O-N 2.92Å; Q171-V173 PolarHBondContact O-N 3.26Å; Q171-V173 VanDerWaalsContact O-N 3.11Å; Q171-S174 CarbonylContact O-C 3.58Å; Q171-S174 WeakPolarHBondContact O-CA 3.41Å; Q171-S174 WeakPolarHBondContact O-CB 3.33Å; Q171-S174 PolarHBondContact O-N 3.05Å; Q171-D175 PolarHBondContact NE2-OD1 3.11Å; Q171-D175 PolarHBondContact O-N 2.93Å
172D95.7Very high93.7Very high56 Ų5656.4 Ų56.430%0.29930%0.297SS..Hα-helixtrans-50.5-35.8175.5-13241.7000113.6R140 S168 K176R140-D172 VanDerWaalsContact CD-OD2 3.3Å; R140-D172 WeakPolarHBondContact CD-OD2 3.38Å; R140-D172 IonicContact CZ-OD2 2.84Å; R140-D172 VanDerWaalsContact CZ-OD2 3.26Å; R140-D172 IonicContact NE-OD2 2.65Å; R140-D172 IonicContact NH1-OD2 2.63Å; R140-D172 PolarHBondContact NH1-OD2 3.47Å; S168-D172 WeakPolarHBondContact O-CB 3.41Å; S168-D172 PolarHBondContact O-N 3.12Å; D172-K176 WeakPolarHBondContact O-CG 3.48Å; D172-K176 PolarHBondContact O-N 3.37Å
173V95.9Very high94.2Very high4 Ų456.3 Ų56.32%0.02430%0.298CS..Hα-helixtrans-78.1-42.4175.7172.60000111.2E2 R140 S141 A169 M170 Q171 K176 Y177E2-V173 VanDerWaalsContact OE1-CG1 3.25Å; E2-V173 WeakPolarHBondContact OE1-CG1 3.5Å; R140-V173 HydrophobicContact CB-CG2 3.82Å; S141-V173 WeakPolarHBondContact OG-CG1 3.49Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å; M170-V173 PolarHBondContact O-N 3.4Å; Q171-V173 PolarHBondContact O-N 3.26Å; Q171-V173 VanDerWaalsContact O-N 3.11Å; V173-K176 PolarHBondContact O-N 3.38Å; V173-Y177 HydrophobicContact CG1-CD2 4Å; V173-Y177 HydrophobicContact CG1-CE2 3.81Å; V173-Y177 WeakPolarHBondContact O-CD2 2.99Å; V173-Y177 PolarHBondContact O-N 2.93Å; V173-Y177 VanDerWaalsContact O-N 3.08Å
174S94.5Very high94.7Very high22 Ų2252.9 Ų52.915%0.15428%0.282CS..Hα-helixtrans-62.4-45.1178.7-57.10000111.6M170 Q171 K176 Y177 L178M170-S174 PolarHBondContact O-N 2.82Å; M170-S174 VanDerWaalsContact O-N 3.14Å; M170-S174 PolarHBondContact O-OG 3.4Å; Q171-S174 CarbonylContact O-C 3.58Å; Q171-S174 WeakPolarHBondContact O-CA 3.41Å; Q171-S174 WeakPolarHBondContact O-CB 3.33Å; Q171-S174 PolarHBondContact O-N 3.05Å; S174-K176 VanDerWaalsContact C-N 3.27Å; S174-K176 PolarHBondContact O-N 3.29Å; S174-Y177 WeakPolarHBondContact O-CB 3.25Å; S174-Y177 PolarHBondContact O-N 2.84Å; S174-Y177 VanDerWaalsContact O-N 3.11Å; S174-L178 PolarHBondContact O-N 3.25Å
175D95.8Very high95.1Very high75 Ų7551.5 Ų51.540%0.40127%0.267SS..Hα-helixtrans-62.8-34.2176.2-64.3-14000111.7Q171 L178 L179Q171-D175 PolarHBondContact NE2-OD1 3.11Å; Q171-D175 PolarHBondContact O-N 2.93Å; D175-L178 PolarHBondContact O-N 2.98Å; D175-L179 WeakPolarHBondContact O-CB 3.27Å; D175-L179 PolarHBondContact O-N 3.45Å
176K95.6Very high95.4Very high53 Ų5350.4 Ų50.423%0.2326%0.262CS..Hα-helixtrans-71.9-28.7175-76.4-76.4168.3-177.90113.3E136 I137 D172 V173 S174 L179 L180E136-K176 IonicContact OE2-NZ 2.65Å; E136-K176 PolarHBondContact OE2-NZ 3.49Å; I137-K176 HydrophobicContact CG1-CB 3.81Å; D172-K176 WeakPolarHBondContact O-CG 3.48Å; D172-K176 PolarHBondContact O-N 3.37Å; V173-K176 PolarHBondContact O-N 3.38Å; S174-K176 VanDerWaalsContact C-N 3.27Å; S174-K176 PolarHBondContact O-N 3.29Å; K176-L179 HydrophobicContact CD-CD2 4.3Å; K176-L180 PolarHBondContact O-N 3.39Å
177Y95Very high95.7Very high23 Ų2350 Ų509%0.0926%0.26CS..Hα-helixtrans-71.3-43.2168.4-83.5-75.7000112E2 M5 I137 V173 S174 L179 L180 E181E2-Y177 HydrophobicContact CB-CD2 4.37Å; E2-Y177 HydrophobicContact CB-CE2 4.01Å; E2-Y177 HydrophobicContact CG-CD2 3.99Å; E2-Y177 HydrophobicContact CG-CE2 3.78Å; M5-Y177 HydrophobicContact CE-CD2 4.31Å; M5-Y177 HydrophobicContact CE-CG 3.98Å; I137-Y177 HydrophobicContact CD1-CD1 4.08Å; I137-Y177 HydrophobicContact CD1-CE1 4.32Å; I137-Y177 HydrophobicContact CD1-CG 4.39Å; I137-Y177 HydrophobicContact CG2-CD2 4.28Å; I137-Y177 HydrophobicContact CG2-CE1 4.13Å; I137-Y177 HydrophobicContact CG2-CE2 3.71Å; V173-Y177 HydrophobicContact CG1-CD2 4Å; V173-Y177 HydrophobicContact CG1-CE2 3.81Å; V173-Y177 WeakPolarHBondContact O-CD2 2.99Å; V173-Y177 PolarHBondContact O-N 2.93Å; V173-Y177 VanDerWaalsContact O-N 3.08Å; S174-Y177 WeakPolarHBondContact O-CB 3.25Å; S174-Y177 PolarHBondContact O-N 2.84Å; S174-Y177 VanDerWaalsContact O-N 3.11Å; Y177-L179 VanDerWaalsContact C-N 3.31Å; Y177-L179 PolarHBondContact O-N 3.35Å; Y177-L180 WeakPolarHBondContact O-CB 3.37Å; Y177-L180 PolarHBondContact O-N 3.15Å; Y177-L180 VanDerWaalsContact O-N 3.15Å; Y177-E181 PolarHBondContact O-N 3.05Å
178L94.6Very high96Very high73 Ų7347.1 Ų47.138%0.38225%0.245SC..Hα-helixtrans-61-39.9175.4-68.6170.2000111.9M5 S174 D175 E181 E182M5-L178 HydrophobicContact SD-CD2 3.66Å; M5-L178 HydrophobicContact SD-CG 3.92Å; S174-L178 PolarHBondContact O-N 3.25Å; D175-L178 PolarHBondContact O-N 2.98Å; L178-E181 PolarHBondContact O-N 2.99Å; L178-E182 PolarHBondContact O-N 3.38Å
179L95.9Very high96.2Very high96 Ų9648.7 Ų48.750%0.50324%0.239SC..Hα-helixtrans-64.1-37.9174.4-177.663.5000112.5D175 K176 Y177 T183D175-L179 WeakPolarHBondContact O-CB 3.27Å; D175-L179 PolarHBondContact O-N 3.45Å; K176-L179 HydrophobicContact CD-CD2 4.3Å; Y177-L179 VanDerWaalsContact C-N 3.31Å; Y177-L179 PolarHBondContact O-N 3.35Å; L179-T183 WeakPolarHBondContact O-CB 3.41Å; L179-T183 PolarHBondContact O-N 2.84Å; L179-T183 PolarHBondContact O-OG1 3.22Å
180L95.8Very high96.3Very high1 Ų152.9 Ų52.91%0.00525%0.252CS..Hα-helixtrans-64.7-45.4172.9172.665.6000111C9 Y130 A133 R134 I137 K176 Y177 E182 T183 E184C9-L180 HydrophobicContact CB-CD2 4.33Å; C9-L180 HydrophobicContact CB-CG 4.46Å; Y130-L180 HydrophobicContact CD2-CD1 3.73Å; Y130-L180 HydrophobicContact CE2-CD1 3.98Å; Y130-L180 HydrophobicContact CE2-CD2 4.46Å; A133-L180 HydrophobicContact CB-CD1 3.82Å; R134-L180 HydrophobicContact CG-CD2 4.45Å; I137-L180 HydrophobicContact CD1-CB 3.96Å; I137-L180 HydrophobicContact CD1-CD2 3.64Å; I137-L180 HydrophobicContact CD1-CG 4.4Å; K176-L180 PolarHBondContact O-N 3.39Å; Y177-L180 WeakPolarHBondContact O-CB 3.37Å; Y177-L180 PolarHBondContact O-N 3.15Å; Y177-L180 VanDerWaalsContact O-N 3.15Å; L180-E182 PolarHBondContact O-N 2.77Å; L180-T183 WeakPolarHBondContact O-CB 3.36Å; L180-T183 PolarHBondContact O-N 3.28Å; L180-T183 VanDerWaalsContact O-N 3.14Å; L180-E184 HydrophobicContact CD1-CG 4.2Å; L180-E184 WeakPolarHBondContact O-CG 3.46Å; L180-E184 PolarHBondContact O-N 3.22Å
181E95.7Very high96.5Very high30 Ų3049.4 Ų49.414%0.1424%0.235CC..Hα-helixtrans-58.8-46-179.8-164.4-158130.900111.8C9 L12 Y177 L178 E184 K185C9-E181 VanDerWaalsContact SG-CA 3.59Å; L12-E181 HydrophobicContact CD1-CG 4.37Å; Y177-E181 PolarHBondContact O-N 3.05Å; L178-E181 PolarHBondContact O-N 2.99Å; E181-E184 PolarHBondContact O-N 3.33Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 3.39Å; E181-K185 WeakPolarHBondContact OE1-CE 3.43Å; E181-K185 IonicContact OE1-NZ 2.69Å; E181-K185 PolarHBondContact OE1-NZ 3.15Å
182E96.4Very high96.7Very high78 Ų7847.9 Ų47.936%0.36423%0.23SC..Hα-helixtrans-72-29.1176.7-162.456.6-131.700112.6L178 L180 K185 Q186 R189L178-E182 PolarHBondContact O-N 3.38Å; L180-E182 PolarHBondContact O-N 2.77Å; E182-K185 VanDerWaalsContact OE2-CD 3.24Å; E182-K185 WeakPolarHBondContact OE2-CD 3.4Å; E182-K185 IonicContact OE2-NZ 2.9Å; E182-K185 PolarHBondContact OE2-NZ 2.67Å; E182-Q186 VanDerWaalsContact O-CB 3.3Å; E182-Q186 WeakPolarHBondContact O-CB 3.49Å; E182-Q186 PolarHBondContact O-N 3.39Å; E182-R189 IonicContact OE1-CZ 2.64Å; E182-R189 IonicContact OE1-NH1 3.23Å; E182-R189 PolarHBondContact OE1-NH1 3.46Å; E182-R189 IonicContact OE1-NH2 2.67Å; E182-R189 PolarHBondContact OE1-NH2 3.31Å
183T96.2Very high96.9Very high45 Ų4550.1 Ų50.128%0.27625%0.245SC..Hα-helixtrans-64-43.6171.1-59.90000111.2L179 L180 Q186 A187L179-T183 WeakPolarHBondContact O-CB 3.41Å; L179-T183 PolarHBondContact O-N 2.84Å; L179-T183 PolarHBondContact O-OG1 3.22Å; L180-T183 WeakPolarHBondContact O-CB 3.36Å; L180-T183 PolarHBondContact O-N 3.28Å; L180-T183 VanDerWaalsContact O-N 3.14Å; T183-Q186 CarbonylContact O-C 3.6Å; T183-Q186 PolarHBondContact O-N 3.15Å; T183-A187 PolarHBondContact O-N 3.09Å
184E97.2Very high97Very high1 Ų151.4 Ų51.41%0.00525%0.251CS..Hα-helixtrans-66.6-43.6176.2-69.2-58.3101.200111.6C9 L12 G13 H126 Y130 L180 E181 Q186 A187 V188C9-E184 HydrophobicContact CB-CG 4.44Å; L12-E184 HydrophobicContact CB-CB 3.75Å; L12-E184 HydrophobicContact CD1-CB 4.02Å; G13-E184 WeakPolarHBondContact CA-OE2 3.42Å; H126-E184 IonicContact CD2-OE1 2.64Å; H126-E184 PolarHBondContact CD2-OE1 3.12Å; H126-E184 IonicContact CD2-OE2 3Å; H126-E184 IonicContact CE1-OE2 2.67Å; H126-E184 VanDerWaalsContact NE2-CD 3.26Å; H126-E184 IonicContact NE2-OE1 2.86Å; H126-E184 PolarHBondContact NE2-OE1 3.3Å; H126-E184 IonicContact NE2-OE2 3.72Å; H126-E184 PolarHBondContact NE2-OE2 3.15Å; Y130-E184 HydrophobicContact CD2-CG 4.37Å; Y130-E184 WeakPolarHBondContact CD2-OE1 3.4Å; L180-E184 HydrophobicContact CD1-CG 4.2Å; L180-E184 WeakPolarHBondContact O-CG 3.46Å; L180-E184 PolarHBondContact O-N 3.22Å; E181-E184 PolarHBondContact O-N 3.33Å; E184-Q186 VanDerWaalsContact C-N 3.26Å; E184-Q186 PolarHBondContact O-N 3.43Å; E184-A187 WeakPolarHBondContact O-CB 3.35Å; E184-A187 PolarHBondContact O-N 3.13Å; E184-A187 VanDerWaalsContact O-N 3.12Å; E184-V188 WeakPolarHBondContact O-CG2 3.32Å; E184-V188 PolarHBondContact O-N 3.38Å
185K97.8Very high97.2Very high60 Ų6052.8 Ų52.826%0.26126%0.255SS..Hα-helixtrans-56.4-42.3171.6-69.7170.4-166.11610111.3L12 E181 E182 A187 V188 R189L12-K185 HydrophobicContact CD1-CG 3.68Å; L12-K185 HydrophobicContact CD2-CG 4.03Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 3.39Å; E181-K185 WeakPolarHBondContact OE1-CE 3.43Å; E181-K185 IonicContact OE1-NZ 2.69Å; E181-K185 PolarHBondContact OE1-NZ 3.15Å; E182-K185 VanDerWaalsContact OE2-CD 3.24Å; E182-K185 WeakPolarHBondContact OE2-CD 3.4Å; E182-K185 IonicContact OE2-NZ 2.9Å; E182-K185 PolarHBondContact OE2-NZ 2.67Å; K185-A187 VanDerWaalsContact C-N 3.34Å; K185-V188 PolarHBondContact O-N 2.92Å; K185-R189 VanDerWaalsContact O-CG 3.32Å; K185-R189 WeakPolarHBondContact O-CG 3.35Å; K185-R189 PolarHBondContact O-N 2.71Å
186Q98.1Very high97.3Very high92 Ų9257.3 Ų57.343%0.4327%0.266SS..Hα-helixtrans-74.6-21179.3-166.660.79.800113.6E182 T183 E184 R190E182-Q186 VanDerWaalsContact O-CB 3.3Å; E182-Q186 WeakPolarHBondContact O-CB 3.49Å; E182-Q186 PolarHBondContact O-N 3.39Å; T183-Q186 CarbonylContact O-C 3.6Å; T183-Q186 PolarHBondContact O-N 3.15Å; E184-Q186 VanDerWaalsContact C-N 3.26Å; E184-Q186 PolarHBondContact O-N 3.43Å; Q186-R190 WeakPolarHBondContact O-CG 3.43Å; Q186-R190 PolarHBondContact O-N 2.86Å; Q186-R190 PolarHBondContact O-NE 3.27Å; Q186-R190 VanDerWaalsContact O-NE 3.17Å
187A98.1Very high97.4Very high1 Ų156.4 Ų56.41%0.00827%0.266CS..Hα-helixtrans-70.5-50.7165.800000110.8F16 T183 E184 K185 R189 R190 A191F16-A187 HydrophobicContact CD2-CB 3.81Å; F16-A187 WeakPolarHBondContact CD2-O 3.37Å; F16-A187 HydrophobicContact CE2-CB 4.02Å; F16-A187 HydrophobicContact CG-CB 4.38Å; T183-A187 PolarHBondContact O-N 3.09Å; E184-A187 WeakPolarHBondContact O-CB 3.35Å; E184-A187 PolarHBondContact O-N 3.13Å; E184-A187 VanDerWaalsContact O-N 3.12Å; K185-A187 VanDerWaalsContact C-N 3.34Å; A187-R189 PolarHBondContact O-N 2.81Å; A187-R190 PolarHBondContact O-N 2.99Å; A187-R190 VanDerWaalsContact O-N 3.13Å; A187-A191 PolarHBondContact O-N 3.17Å
188V98.6Very high97.6Very high12 Ų1255.5 Ų55.57%0.07326%0.263CS..Hα-helixtrans-56.3-48176.5172.40000111.6L12 L15 F16 E184 K185 R190 A191 L192L12-V188 HydrophobicContact CB-CG2 4.27Å; L12-V188 HydrophobicContact CD2-CG2 4.21Å; L12-V188 VanDerWaalsContact O-CG2 3.22Å; L12-V188 WeakPolarHBondContact O-CG2 3.47Å; L15-V188 HydrophobicContact CD2-CG1 3.81Å; L15-V188 HydrophobicContact CG-CG1 4.19Å; F16-V188 HydrophobicContact CB-CG2 3.93Å; E184-V188 WeakPolarHBondContact O-CG2 3.32Å; E184-V188 PolarHBondContact O-N 3.38Å; K185-V188 PolarHBondContact O-N 2.92Å; V188-R190 VanDerWaalsContact C-N 3.3Å; V188-R190 PolarHBondContact O-N 3.47Å; V188-A191 PolarHBondContact O-N 2.88Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.37Å; V188-L192 WeakPolarHBondContact O-CG 3.36Å; V188-L192 PolarHBondContact O-N 3.36Å
189R98.7Very high97.8Very high109 Ų10957.2 Ų57.241%0.41127%0.268SS..Hα-helixtrans-57.8-40.5176.8-71.6-178-154.8113.1-0.5112.2E182 K185 A187 V193E182-R189 IonicContact OE1-CZ 2.64Å; E182-R189 IonicContact OE1-NH1 3.23Å; E182-R189 PolarHBondContact OE1-NH1 3.46Å; E182-R189 IonicContact OE1-NH2 2.67Å; E182-R189 PolarHBondContact OE1-NH2 3.31Å; K185-R189 VanDerWaalsContact O-CG 3.32Å; K185-R189 WeakPolarHBondContact O-CG 3.35Å; K185-R189 PolarHBondContact O-N 2.71Å; A187-R189 PolarHBondContact O-N 2.81Å; R189-V193 WeakPolarHBondContact O-CB 3.2Å; R189-V193 VanDerWaalsContact O-CG2 3.22Å; R189-V193 WeakPolarHBondContact O-CG2 3.38Å; R189-V193 PolarHBondContact O-N 2.82Å
190R98.5Very high97.9Very high102 Ų10255 Ų5539%0.38526%0.259SS..Hα-helixtrans-67.8-41.4177.2-76.5-176.1-67.1158.91112.4L122 Q186 A187 V188 V193 E194L122-R190 HydrophobicContact CD2-CB 4.25Å; Q186-R190 WeakPolarHBondContact O-CG 3.43Å; Q186-R190 PolarHBondContact O-N 2.86Å; Q186-R190 PolarHBondContact O-NE 3.27Å; Q186-R190 VanDerWaalsContact O-NE 3.17Å; A187-R190 PolarHBondContact O-N 2.99Å; A187-R190 VanDerWaalsContact O-N 3.13Å; V188-R190 VanDerWaalsContact C-N 3.3Å; V188-R190 PolarHBondContact O-N 3.47Å; R190-V193 PolarHBondContact O-N 3.43Å; R190-E194 WeakPolarHBondContact O-CB 3.5Å; R190-E194 PolarHBondContact O-N 3.43Å
191A98.6Very high98.1Very high0 Ų057.6 Ų57.60%027%0.273CS..Hα-helixtrans-63.7-46.1177.100000112.4F16 V19 M23 A187 V188 V193 E194 E195F16-A191 HydrophobicContact CD2-CB 3.73Å; F16-A191 HydrophobicContact CE2-CB 3.81Å; V19-A191 HydrophobicContact CB-CB 4.26Å; V19-A191 HydrophobicContact CG1-CB 3.86Å; M23-A191 HydrophobicContact CE-CB 4.4Å; A187-A191 PolarHBondContact O-N 3.17Å; V188-A191 PolarHBondContact O-N 2.88Å; A191-V193 PolarHBondContact O-N 3.22Å; A191-E194 PolarHBondContact O-N 3.49Å; A191-E195 WeakPolarHBondContact O-CB 3.23Å; A191-E195 PolarHBondContact O-N 3.27Å
192L98.6Very high98.2Very high73 Ų7357.7 Ų57.738%0.38227%0.273SS..Hα-helixtrans-67-34.3178.2-69.3170.4000112.9V19 V188 R196V19-L192 HydrophobicContact CG1-CD2 4.18Å; V19-L192 HydrophobicContact CG2-CD2 3.72Å; V19-L192 HydrophobicContact CG2-CG 4.4Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.37Å; V188-L192 WeakPolarHBondContact O-CG 3.36Å; V188-L192 PolarHBondContact O-N 3.36Å; L192-R196 VanDerWaalsContact O-CB 3.23Å; L192-R196 WeakPolarHBondContact O-CB 3.37Å; L192-R196 PolarHBondContact O-N 3.16Å
193V98.7Very high98.3Very high103 Ų10357.1 Ų57.162%0.62427%0.274SS*.Hα-helixtrans-69-42.9173.9167.30000111.1R189 R190 A191 S197R189-V193 WeakPolarHBondContact O-CB 3.2Å; R189-V193 VanDerWaalsContact O-CG2 3.22Å; R189-V193 WeakPolarHBondContact O-CG2 3.38Å; R189-V193 PolarHBondContact O-N 2.82Å; R190-V193 PolarHBondContact O-N 3.43Å; A191-V193 PolarHBondContact O-N 3.22Å; V193-S197 WeakPolarHBondContact O-CB 3.36Å; V193-S197 PolarHBondContact O-N 2.96Å
194E98.5Very high98.4Very high30 Ų3057.7 Ų57.714%0.1428%0.28CS..Hα-helixtrans-59.5-52.9174.2168.459-160.700110.9M23 V118 L122 R190 A191 R196 S197 R198M23-E194 HydrophobicContact CE-CB 4.44Å; M23-E194 HydrophobicContact CE-CG 4.01Å; M23-E194 HydrophobicContact SD-CB 4.29Å; M23-E194 HydrophobicContact SD-CG 3.61Å; V118-E194 HydrophobicContact CG1-CG 4.14Å; V118-E194 WeakPolarHBondContact CG1-OE2 3.3Å; L122-E194 HydrophobicContact CD1-CB 3.86Å; L122-E194 HydrophobicContact CD1-CG 3.84Å; R190-E194 WeakPolarHBondContact O-CB 3.5Å; R190-E194 PolarHBondContact O-N 3.43Å; A191-E194 PolarHBondContact O-N 3.49Å; E194-R196 PolarHBondContact O-N 3.15Å; E194-S197 WeakPolarHBondContact O-CB 3.42Å; E194-S197 PolarHBondContact O-N 3.3Å; E194-S197 PolarHBondContact O-OG 3.02Å; E194-R198 PolarHBondContact O-N 3.04Å; E194-R198 IonicContact OE1-CZ 2.66Å; E194-R198 VanDerWaalsContact OE1-CZ 3.26Å; E194-R198 IonicContact OE1-NE 3.61Å; E194-R198 PolarHBondContact OE1-NE 2.82Å; E194-R198 IonicContact OE1-NH2 3.61Å; E194-R198 PolarHBondContact OE1-NH2 3.04Å
195E98.4Very high98.5Very high52 Ų5258.7 Ų58.724%0.24329%0.285CS..Hα-helixtrans-53-53.7177.2178.3-177.2-112.900111.8V19 M23 A191 S197 R198 F199V19-E195 HydrophobicContact CG1-CB 4.18Å; M23-E195 HydrophobicContact CG-CB 3.92Å; M23-E195 HydrophobicContact CG-CG 4.15Å; M23-E195 VanDerWaalsContact SD-CA 3.6Å; M23-E195 HydrophobicContact SD-CB 3.77Å; A191-E195 WeakPolarHBondContact O-CB 3.23Å; A191-E195 PolarHBondContact O-N 3.27Å; E195-S197 PolarHBondContact O-N 3.49Å; E195-R198 WeakPolarHBondContact O-CB 3.48Å; E195-R198 PolarHBondContact O-N 3.36Å; E195-F199 HydrophobicContact CG-CE2 4.37Å; E195-F199 WeakPolarHBondContact O-CD2 3.3Å
196R98.7Very high98.5Very high170 Ų17058.6 Ų58.664%0.64229%0.287SS*.Hα-helixtrans-59.8-34177.1-175.8-176.7172.4-74.6-3.2112.2L192 E194 R198 C200L192-R196 VanDerWaalsContact O-CB 3.23Å; L192-R196 WeakPolarHBondContact O-CB 3.37Å; L192-R196 PolarHBondContact O-N 3.16Å; E194-R196 PolarHBondContact O-N 3.15Å; R196-R198 VanDerWaalsContact C-N 3.32Å; R196-R198 PolarHBondContact O-N 3.41Å; R196-C200 PolarHBondContact O-N 3.31Å; R196-C200 VanDerWaalsContact O-N 3.13Å; R196-C200 PolarHBondContact O-SG 3.27Å
197S98.5Very high98.5Very high33 Ų3358.8 Ų58.823%0.23128%0.284CS..Hα-helixtrans-64.2-37-179.383.60000112.1V193 E194 E195 F199 C200 I201V193-S197 WeakPolarHBondContact O-CB 3.36Å; V193-S197 PolarHBondContact O-N 2.96Å; E194-S197 WeakPolarHBondContact O-CB 3.42Å; E194-S197 PolarHBondContact O-N 3.3Å; E194-S197 PolarHBondContact O-OG 3.02Å; E195-S197 PolarHBondContact O-N 3.49Å; S197-F199 PolarHBondContact O-N 3.21Å; S197-C200 CarbonylContact O-C 3.56Å; S197-C200 WeakPolarHBondContact O-CB 3.48Å; S197-C200 PolarHBondContact O-N 3.46Å; S197-C200 VanDerWaalsContact O-N 3.1Å; S197-I201 WeakPolarHBondContact O-CB 3.42Å; S197-I201 VanDerWaalsContact O-CG1 3.27Å; S197-I201 WeakPolarHBondContact O-CG1 3.16Å; S197-I201 PolarHBondContact O-N 3.37Å
198R98.4Very high98.5Very high4 Ų460.7 Ų60.72%0.01530%0.296CS..Hα-helixtrans-58.3-49.9179.8-58.2-179.9-179.8-155.7-10.9111.4M23 W115 E194 E195 R196 C200 I201 F202M23-R198 PolarHBondContact O-NH1 3.3Å; W115-R198 HydrophobicContact CD2-CB 4.25Å; W115-R198 HydrophobicContact CD2-CG 3.85Å; W115-R198 HydrophobicContact CE3-CB 4.47Å; W115-R198 HydrophobicContact CE3-CG 4.41Å; W115-R198 HydrophobicContact CG-CG 4.1Å; W115-R198 HydrophobicContact CH2-CB 3.97Å; W115-R198 HydrophobicContact CZ2-CB 3.72Å; W115-R198 HydrophobicContact CZ2-CG 4.09Å; W115-R198 HydrophobicContact CZ3-CB 4.33Å; W115-R198 PolarHBondContact O-NH2 3.28Å; E194-R198 PolarHBondContact O-N 3.04Å; E194-R198 IonicContact OE1-CZ 2.66Å; E194-R198 VanDerWaalsContact OE1-CZ 3.26Å; E194-R198 IonicContact OE1-NE 3.61Å; E194-R198 PolarHBondContact OE1-NE 2.82Å; E194-R198 IonicContact OE1-NH2 3.61Å; E194-R198 PolarHBondContact OE1-NH2 3.04Å; E195-R198 WeakPolarHBondContact O-CB 3.48Å; E195-R198 PolarHBondContact O-N 3.36Å; R196-R198 VanDerWaalsContact C-N 3.32Å; R196-R198 PolarHBondContact O-N 3.41Å; R198-C200 PolarHBondContact O-N 3.29Å; R198-I201 PolarHBondContact O-N 3.06Å; R198-F202 WeakPolarHBondContact O-CB 3.4Å; R198-F202 PolarHBondContact O-N 3.31Å
199F98.6Very high98.5Very high110 Ų11060.4 Ų60.448%0.48230%0.295SS..Hα-helixtrans-65.5-35.9175.6-62.7-74.1000112.6W30 E195 S197 V203W30-F199 AromaticContact CH2-CD1 3.92Å; W30-F199 HydrophobicContact CH2-CD1 3.92Å; W30-F199 AromaticContact CH2-CE1 3.95Å; W30-F199 HydrophobicContact CH2-CE1 3.95Å; W30-F199 AromaticContact CZ2-CD1 3.92Å; W30-F199 HydrophobicContact CZ2-CD1 3.92Å; W30-F199 AromaticContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CZ 4.19Å; E195-F199 HydrophobicContact CG-CE2 4.37Å; E195-F199 WeakPolarHBondContact O-CD2 3.3Å; S197-F199 PolarHBondContact O-N 3.21Å; F199-V203 WeakPolarHBondContact O-CB 3.41Å; F199-V203 VanDerWaalsContact O-CG2 3.32Å; F199-V203 WeakPolarHBondContact O-CG2 3.31Å; F199-V203 PolarHBondContact O-N 3.23Å
200C98.6Very high98.4Very high49 Ų4958.5 Ų58.533%0.33130%0.295SS..Hα-helixtrans-66.8-37.2175.1-65.10000112.6R196 S197 R198 S204R196-C200 PolarHBondContact O-N 3.31Å; R196-C200 VanDerWaalsContact O-N 3.13Å; R196-C200 PolarHBondContact O-SG 3.27Å; S197-C200 CarbonylContact O-C 3.56Å; S197-C200 WeakPolarHBondContact O-CB 3.48Å; S197-C200 PolarHBondContact O-N 3.46Å; S197-C200 VanDerWaalsContact O-N 3.1Å; R198-C200 PolarHBondContact O-N 3.29Å; C200-S204 WeakPolarHBondContact O-CB 3.42Å; C200-S204 PolarHBondContact O-N 3.49Å; C200-S204 VanDerWaalsContact O-N 3.07Å; C200-S204 PolarHBondContact O-OG 3.11Å
201I98.4Very high98.3Very high55 Ų5558.7 Ų58.728%0.28230%0.304SS..Hα-helixtrans-67.5-49.7175.5-71.2163.5000109.6Q111 W115 S197 R198 V203 S204 M205Q111-I201 HydrophobicContact CG-CG2 4.48Å; W115-I201 HydrophobicContact CZ2-CB 4.29Å; W115-I201 HydrophobicContact CZ2-CG2 4.14Å; S197-I201 WeakPolarHBondContact O-CB 3.42Å; S197-I201 VanDerWaalsContact O-CG1 3.27Å; S197-I201 WeakPolarHBondContact O-CG1 3.16Å; S197-I201 PolarHBondContact O-N 3.37Å; R198-I201 PolarHBondContact O-N 3.06Å; I201-V203 PolarHBondContact O-N 3.49Å; I201-S204 CarbonylContact O-C 3.53Å; I201-S204 WeakPolarHBondContact O-CA 3.48Å; I201-S204 WeakPolarHBondContact O-CB 3.39Å; I201-S204 PolarHBondContact O-N 3.28Å; I201-M205 HydrophobicContact CG2-CE 3.55Å; I201-M205 HydrophobicContact CG2-SD 4.1Å; I201-M205 WeakPolarHBondContact O-CG 3.49Å; I201-M205 PolarHBondContact O-N 3.21Å
202F98.7Very high98.2Very high33 Ų3360.7 Ų60.715%0.14531%0.313CS..Hα-helixtrans-55.2-47.1174.7169.2-105.6000112.8W30 F33 L104 L108 R198 S204 M205 L206W30-F202 HydrophobicContact CH2-CB 3.97Å; W30-F202 HydrophobicContact CH2-CD1 4.24Å; W30-F202 HydrophobicContact CH2-CD2 4.35Å; W30-F202 AromaticContact CH2-CG 3.92Å; W30-F202 HydrophobicContact CH2-CG 3.92Å; W30-F202 HydrophobicContact CZ3-CB 4.07Å; W30-F202 HydrophobicContact CZ3-CD1 4.25Å; W30-F202 AromaticContact CZ3-CD2 3.67Å; W30-F202 HydrophobicContact CZ3-CD2 3.67Å; W30-F202 HydrophobicContact CZ3-CE2 4.15Å; W30-F202 AromaticContact CZ3-CG 3.72Å; W30-F202 HydrophobicContact CZ3-CG 3.72Å; F33-F202 HydrophobicContact CD1-CE2 4.43Å; F33-F202 AromaticContact CE1-CE2 3.7Å; F33-F202 HydrophobicContact CE1-CE2 3.7Å; F33-F202 HydrophobicContact CE1-CZ 4.4Å; F33-F202 HydrophobicContact CE2-CE2 4.39Å; F33-F202 HydrophobicContact CE2-CZ 4.31Å; F33-F202 AromaticContact CZ-CE2 3.68Å; F33-F202 HydrophobicContact CZ-CE2 3.68Å; F33-F202 AromaticContact CZ-CZ 3.95Å; F33-F202 HydrophobicContact CZ-CZ 3.95Å; L104-F202 HydrophobicContact CD1-CD2 4.05Å; L104-F202 HydrophobicContact CD1-CE2 3.94Å; L108-F202 HydrophobicContact CD1-CD2 4.39Å; L108-F202 HydrophobicContact CD2-CD2 4.1Å; L108-F202 HydrophobicContact CD2-CE2 4.35Å; R198-F202 WeakPolarHBondContact O-CB 3.4Å; R198-F202 PolarHBondContact O-N 3.31Å; F202-S204 PolarHBondContact O-N 3.37Å; F202-M205 WeakPolarHBondContact O-CB 3.48Å; F202-M205 PolarHBondContact O-N 2.96Å; F202-L206 HydrophobicContact CE1-CD2 4.28Å; F202-L206 HydrophobicContact CZ-CD2 4.25Å; F202-L206 WeakPolarHBondContact O-CB 3.36Å; F202-L206 PolarHBondContact O-N 2.76Å
203V98.6Very high98Very high65 Ų6561.6 Ų61.639%0.39432%0.315SS..Hα-helixtrans-63.7-31175.5168.80000111.8F199 I201 L206 R207F199-V203 WeakPolarHBondContact O-CB 3.41Å; F199-V203 VanDerWaalsContact O-CG2 3.32Å; F199-V203 WeakPolarHBondContact O-CG2 3.31Å; F199-V203 PolarHBondContact O-N 3.23Å; I201-V203 PolarHBondContact O-N 3.49Å; V203-L206 PolarHBondContact O-N 3.48Å; V203-R207 WeakPolarHBondContact O-CG 3.44Å; V203-R207 PolarHBondContact O-N 3.03Å
204S98.5Very high97.8Very high58 Ų5862.9 Ų62.941%0.40632%0.316SS..Hα-helixtrans-72.6-34.3176.3-57.40000112.6C200 I201 F202 P208C200-S204 WeakPolarHBondContact O-CB 3.42Å; C200-S204 PolarHBondContact O-N 3.49Å; C200-S204 VanDerWaalsContact O-N 3.07Å; C200-S204 PolarHBondContact O-OG 3.11Å; I201-S204 CarbonylContact O-C 3.53Å; I201-S204 WeakPolarHBondContact O-CA 3.48Å; I201-S204 WeakPolarHBondContact O-CB 3.39Å; I201-S204 PolarHBondContact O-N 3.28Å; F202-S204 PolarHBondContact O-N 3.37Å; S204-P208 WeakPolarHBondContact O-CD 3.46Å
205M98.5Very high97.5Very high22 Ų2263.6 Ų63.611%0.10832%0.324CS..Hα-helixtrans-68.9-36.5171.1-68.3165.517200112.5C103 L104 P107 L108 Q111 I201 F202 P208C103-M205 VanDerWaalsContact O-CB 3.29Å; C103-M205 WeakPolarHBondContact O-CB 3.49Å; L104-M205 HydrophobicContact CD1-CB 3.63Å; P107-M205 VanDerWaalsContact C-CE 3.47Å; P107-M205 HydrophobicContact CB-CE 3.67Å; P107-M205 HydrophobicContact CB-CG 4.45Å; P107-M205 HydrophobicContact CB-SD 4.35Å; P107-M205 WeakPolarHBondContact O-CE 3.37Å; L108-M205 HydrophobicContact CB-SD 3.98Å; L108-M205 HydrophobicContact CD1-SD 4.18Å; Q111-M205 HydrophobicContact CB-CE 4.37Å; Q111-M205 HydrophobicContact CG-CE 3.72Å; I201-M205 HydrophobicContact CG2-CE 3.55Å; I201-M205 HydrophobicContact CG2-SD 4.1Å; I201-M205 WeakPolarHBondContact O-CG 3.49Å; I201-M205 PolarHBondContact O-N 3.21Å; F202-M205 WeakPolarHBondContact O-CB 3.48Å; F202-M205 PolarHBondContact O-N 2.96Å; M205-P208 WeakPolarHBondContact O-CD 3.46Å; M205-P208 WeakPolarHBondContact O-CG 3.45Å
206L98.4Very high97.2Very high57 Ų5762.8 Ų62.830%0.29832%0.321SS..Hα-helixtrans-74.8-31.3-177.6-177.461.8000113.6L104 F202 V203 V209 V210L104-L206 HydrophobicContact CD2-CD1 3.87Å; F202-L206 HydrophobicContact CE1-CD2 4.28Å; F202-L206 HydrophobicContact CZ-CD2 4.25Å; F202-L206 WeakPolarHBondContact O-CB 3.36Å; F202-L206 PolarHBondContact O-N 2.76Å; V203-L206 PolarHBondContact O-N 3.48Å; L206-V209 HydrophobicContact CD1-CB 4.43Å; L206-V209 WeakPolarHBondContact O-CB 3.42Å; L206-V209 PolarHBondContact O-N 2.85Å; L206-V209 VanDerWaalsContact O-N 3.14Å; L206-V210 HydrophobicContact CD1-CG2 4.34Å; L206-V210 HydrophobicContact CG-CG2 4.18Å; L206-V210 PolarHBondContact O-N 3.14Å
207R98.3Very high96.7Very high96 Ų9658.9 Ų58.936%0.36231%0.312SS..Hα-helixtrans-47.8-58.4-179.9-81.6166.5-174.3176.3-0.2114.5V203 V209 V210 D211 W464V203-R207 WeakPolarHBondContact O-CG 3.44Å; V203-R207 PolarHBondContact O-N 3.03Å; R207-V209 PolarHBondContact O-N 3.05Å; R207-V209 VanDerWaalsContact O-N 3.13Å; R207-V210 PolarHBondContact O-N 3.33Å; R207-D211 VanDerWaalsContact O-CG 3.29Å; R207-D211 PolarHBondContact O-N 2.83Å; R207-W464 VanDerWaalsContact NH1-CZ2 3.31Å
208P97.9Very high96.3Very high41 Ų4159 Ų5927%0.26632%0.318SS..Hα-helixtrans-61.2-25.8-177.824.7-36.1000113.7V99 C103 S204 M205 E212V99-P208 HydrophobicContact CG1-CB 3.96Å; C103-P208 HydrophobicContact CB-CB 4.47Å; C103-P208 HydrophobicContact CB-CG 3.7Å; S204-P208 WeakPolarHBondContact O-CD 3.46Å; M205-P208 WeakPolarHBondContact O-CD 3.46Å; M205-P208 WeakPolarHBondContact O-CG 3.45Å; P208-E212 WeakPolarHBondContact O-CG 3.43Å; P208-E212 PolarHBondContact O-N 3.31Å
209V98.1Very high95.8Very high6 Ų659.7 Ų59.74%0.03632%0.322CS..Hα-helixtrans-66.9-45.3173.8-177.30000110.7F96 V99 F100 L104 L206 R207 E212 E213F96-V209 HydrophobicContact CD2-CG1 4.18Å; F96-V209 WeakPolarHBondContact CD2-O 3.48Å; F96-V209 HydrophobicContact CE2-CG1 3.53Å; F96-V209 WeakPolarHBondContact CE2-O 3.36Å; F96-V209 HydrophobicContact CZ-CG1 4.16Å; V99-V209 HydrophobicContact CG1-CG2 4.32Å; F100-V209 HydrophobicContact CB-CG1 4.24Å; F100-V209 HydrophobicContact CD2-CG1 3.69Å; F100-V209 HydrophobicContact CD2-CG2 4.23Å; F100-V209 HydrophobicContact CG-CG1 4.37Å; L104-V209 HydrophobicContact CB-CG2 3.96Å; L104-V209 HydrophobicContact CD2-CG2 4.35Å; L206-V209 HydrophobicContact CD1-CB 4.43Å; L206-V209 WeakPolarHBondContact O-CB 3.42Å; L206-V209 PolarHBondContact O-N 2.85Å; L206-V209 VanDerWaalsContact O-N 3.14Å; R207-V209 PolarHBondContact O-N 3.05Å; R207-V209 VanDerWaalsContact O-N 3.13Å; V209-E212 PolarHBondContact O-N 3.26Å; V209-E213 PolarHBondContact O-N 3.42Å
210V97.6Very high95.1Very high69 Ų6958.2 Ų58.242%0.41832%0.318SS..Hα-helixtrans-70.9-33.9178.4179.60000111.4L206 R207 E212 E213 M214L206-V210 HydrophobicContact CD1-CG2 4.34Å; L206-V210 HydrophobicContact CG-CG2 4.18Å; L206-V210 PolarHBondContact O-N 3.14Å; R207-V210 PolarHBondContact O-N 3.33Å; V210-E212 PolarHBondContact O-N 2.76Å; V210-E213 PolarHBondContact O-N 2.96Å; V210-M214 WeakPolarHBondContact O-CB 3.34Å; V210-M214 PolarHBondContact O-N 3.47Å
211D96.6Very high94.5Very high107 Ų10759.4 Ų59.457%0.57232%0.324SS*.Hα-helixtrans-62.9-40.3175.4-63.6-40.2000111.4R207 S215R207-D211 VanDerWaalsContact O-CG 3.29Å; R207-D211 PolarHBondContact O-N 2.83Å; D211-S215 WeakPolarHBondContact O-CB 3.3Å; D211-S215 PolarHBondContact O-N 2.93Å
212E95.9Very high94.2Very high42 Ų4260.8 Ų60.820%0.19633%0.329CS..Hα-helixtrans-72.9-34.1173.8-68.7-74-165.300113.1Q95 F96 V99 P208 V209 V210 S215 M216Q95-E212 HydrophobicContact CG-CG 4.44Å; Q95-E212 WeakPolarHBondContact CG-OE1 3.45Å; Q95-E212 PolarHBondContact NE2-OE1 3.05Å; F96-E212 HydrophobicContact CB-CB 4.2Å; F96-E212 HydrophobicContact CD2-CB 4.22Å; V99-E212 HydrophobicContact CB-CG 4.28Å; V99-E212 HydrophobicContact CG1-CG 4.28Å; V99-E212 HydrophobicContact CG2-CG 4.06Å; P208-E212 WeakPolarHBondContact O-CG 3.43Å; P208-E212 PolarHBondContact O-N 3.31Å; V209-E212 PolarHBondContact O-N 3.26Å; V210-E212 PolarHBondContact O-N 2.76Å; E212-S215 WeakPolarHBondContact O-CB 3.48Å; E212-S215 PolarHBondContact O-N 3.07Å; E212-M216 PolarHBondContact O-N 3.43Å
213E93.8Very high93.9Very high91 Ų9160.5 Ų60.543%0.42533%0.329SS..Hα-helixtrans-61.6-45.9172.4-171.6170.3-147.800110.9F96 V209 V210 S215 M216 L217F96-E213 HydrophobicContact CD2-CB 4.14Å; F96-E213 HydrophobicContact CE2-CB 3.85Å; F96-E213 HydrophobicContact CE2-CG 4.42Å; V209-E213 PolarHBondContact O-N 3.42Å; V210-E213 PolarHBondContact O-N 2.96Å; E213-S215 PolarHBondContact O-N 3.06Å; E213-M216 WeakPolarHBondContact O-CB 3.45Å; E213-M216 PolarHBondContact O-N 3.43Å; E213-L217 PolarHBondContact O-N 3.26Å; E213-L217 VanDerWaalsContact O-N 3.12Å
214M94.1Very high93.6Very high131 Ų13163.1 Ų63.165%0.64534%0.337SS*.Hα-helixtrans-64.9-37.6175-168.365.9174.500112.2V210 M216 L217 G218V210-M214 WeakPolarHBondContact O-CB 3.34Å; V210-M214 PolarHBondContact O-N 3.47Å; M214-M216 VanDerWaalsContact C-N 3.3Å; M214-M216 PolarHBondContact O-N 3.46Å; M214-L217 PolarHBondContact O-N 3.46Å; M214-L217 HydrophobicContact SD-CD1 4.21Å; M214-G218 PolarHBondContact O-N 3.05Å
215S93.1Very high93.3Very high45 Ų4564.7 Ų64.732%0.31534%0.344SS..Hα-helixtrans-58.5-39.9172.3178.10000112.1K92 D211 E212 E213K92-S215 WeakPolarHBondContact CD-O 3.28Å; K92-S215 WeakPolarHBondContact CE-OG 3.49Å; K92-S215 PolarHBondContact NZ-O 2.79Å; D211-S215 WeakPolarHBondContact O-CB 3.3Å; D211-S215 PolarHBondContact O-N 2.93Å; E212-S215 WeakPolarHBondContact O-CB 3.48Å; E212-S215 PolarHBondContact O-N 3.07Å; E213-S215 PolarHBondContact O-N 3.06Å
216M91.8Very high93.2Very high34 Ų3464.3 Ų64.317%0.16734%0.343CS..Hα-helixtrans-67.4-42.5176.1-176.6175.857.500112.4I89 K92 L93 E212 E213 M214 G218 E219I89-M216 HydrophobicContact CG2-CG 4.18Å; I89-M216 HydrophobicContact CG2-SD 4.32Å; K92-M216 HydrophobicContact CB-CB 4.17Å; K92-M216 HydrophobicContact CB-CG 4.35Å; L93-M216 HydrophobicContact CB-SD 3.98Å; L93-M216 HydrophobicContact CD1-CE 4.34Å; L93-M216 HydrophobicContact CD1-SD 3.91Å; E212-M216 PolarHBondContact O-N 3.43Å; E213-M216 WeakPolarHBondContact O-CB 3.45Å; E213-M216 PolarHBondContact O-N 3.43Å; M214-M216 VanDerWaalsContact C-N 3.3Å; M214-M216 PolarHBondContact O-N 3.46Å; M216-G218 PolarHBondContact O-N 3.37Å; M216-E219 PolarHBondContact O-N 2.83Å
217L88.4Confident93.1Very high88 Ų8865.3 Ų65.346%0.46135%0.351SS..Hα-helixtrans-58.8-31.2177.9-66.8177.3000112.9E213 M214 E219 I220E213-L217 PolarHBondContact O-N 3.26Å; E213-L217 VanDerWaalsContact O-N 3.12Å; M214-L217 PolarHBondContact O-N 3.46Å; M214-L217 HydrophobicContact SD-CD1 4.21Å; L217-E219 VanDerWaalsContact C-N 3.28Å; L217-E219 PolarHBondContact O-N 2.74Å; L217-I220 HydrophobicContact CD2-CD1 3.73Å; L217-I220 WeakPolarHBondContact O-CB 3.44Å; L217-I220 PolarHBondContact O-N 2.82Å; L217-I220 VanDerWaalsContact O-N 3.12Å
218G89.9Confident93Very high35 Ų3564.6 Ų64.636%0.36136%0.355SS..Hα-helixtrans-56.4-36.4177.400000114.4M214 M216 I220 T221M214-G218 PolarHBondContact O-N 3.05Å; M216-G218 PolarHBondContact O-N 3.37Å; G218-I220 PolarHBondContact O-N 3.25Å; G218-T221 PolarHBondContact O-N 3.47Å; G218-T221 PolarHBondContact O-OG1 2.99Å
219E88.1Confident92.8Very high20 Ų2065.1 Ų65.19%0.09336%0.355CS..THydrogen-bonded Turntrans-67.8-23.8179.8-60.2-62.8127.100113.1R85 S88 I89 K92 M216 L217 T221 H222 L223R85-E219 IonicContact NH1-OE2 3.69Å; S88-E219 VanDerWaalsContact CB-OE2 3.23Å; S88-E219 WeakPolarHBondContact CB-OE2 3.33Å; S88-E219 PolarHBondContact OG-OE2 3.25Å; I89-E219 HydrophobicContact CD1-CB 3.97Å; I89-E219 HydrophobicContact CG1-CB 3.5Å; I89-E219 VanDerWaalsContact CG1-CB 3.5Å; I89-E219 HydrophobicContact CG1-CG 3.96Å; K92-E219 HydrophobicContact CD-CG 3.89Å; K92-E219 WeakPolarHBondContact CE-OE1 3.36Å; K92-E219 IonicContact NZ-OE1 3.93Å; K92-E219 PolarHBondContact NZ-OE1 2.9Å; M216-E219 PolarHBondContact O-N 2.83Å; L217-E219 VanDerWaalsContact C-N 3.28Å; L217-E219 PolarHBondContact O-N 2.74Å; E219-T221 PolarHBondContact O-N 3.37Å; E219-H222 WeakPolarHBondContact O-CB 3.45Å; E219-H222 PolarHBondContact O-N 3.21Å; E219-L223 PolarHBondContact O-N 2.87Å
220I83.1Confident92.7Very high78 Ų7866.1 Ų66.140%0.436%0.36SS..Hα-helixtrans-63.6-31.4-176.8-57.9178.5000110.6L217 G218 H222 L223 Q224L217-I220 HydrophobicContact CD2-CD1 3.73Å; L217-I220 WeakPolarHBondContact O-CB 3.44Å; L217-I220 PolarHBondContact O-N 2.82Å; L217-I220 VanDerWaalsContact O-N 3.12Å; G218-I220 PolarHBondContact O-N 3.25Å; I220-H222 PolarHBondContact O-N 3.17Å; I220-L223 WeakPolarHBondContact O-CB 3.45Å; I220-L223 PolarHBondContact O-N 3.1Å; I220-Q224 PolarHBondContact O-N 3.39Å
221T87.4Confident92.7Very high74 Ų7468.5 Ų68.545%0.45437%0.365SS..Hα-helixtrans-57.2-36.9174.165.60000112.2G218 E219 Q224G218-T221 PolarHBondContact O-N 3.47Å; G218-T221 PolarHBondContact O-OG1 2.99Å; E219-T221 PolarHBondContact O-N 3.37Å; T221-Q224 PolarHBondContact O-N 2.95Å
222H91.1Very high92.7Very high84 Ų8469.4 Ų69.439%0.38937%0.368SS..Hα-helixtrans-75.7-22.2177.6-59.7-33.6000113.3R85 E219 I220 Q224 L226R85-H222 HydrophobicContact CG-CB 4.36Å; E219-H222 WeakPolarHBondContact O-CB 3.45Å; E219-H222 PolarHBondContact O-N 3.21Å; I220-H222 PolarHBondContact O-N 3.17Å; H222-Q224 VanDerWaalsContact C-N 3.34Å; H222-L226 WeakPolarHBondContact O-CG 3.33Å; H222-L226 PolarHBondContact O-N 2.84Å
223L92.4Very high92.6Very high27 Ų2770.6 Ų70.614%0.14138%0.376CS..Hα-helixtrans-71.5-31173.3-59-177.1000111.7M82 R85 I89 E219 I220 L226 T227M82-L223 HydrophobicContact SD-CD2 3.68Å; R85-L223 HydrophobicContact CB-CD2 3.63Å; I89-L223 HydrophobicContact CD1-CD1 3.66Å; I89-L223 HydrophobicContact CD1-CD2 4.34Å; I89-L223 HydrophobicContact CD1-CG 4.16Å; E219-L223 PolarHBondContact O-N 2.87Å; I220-L223 WeakPolarHBondContact O-CB 3.45Å; I220-L223 PolarHBondContact O-N 3.1Å; L223-L226 PolarHBondContact O-N 3.29Å; L223-T227 WeakPolarHBondContact O-CB 3.41Å; L223-T227 PolarHBondContact O-N 2.79Å; L223-T227 PolarHBondContact O-OG1 2.93Å
224Q91.9Very high92.7Very high121 Ų12169.4 Ų69.457%0.56538%0.375SS*.Hα-helixtrans-61.6-55178.9-65.9173.8-41.500110.6I220 T221 H222 L226 T227 D228I220-Q224 PolarHBondContact O-N 3.39Å; T221-Q224 PolarHBondContact O-N 2.95Å; H222-Q224 VanDerWaalsContact C-N 3.34Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.69Å; Q224-T227 WeakPolarHBondContact O-CA 3.38Å; Q224-T227 WeakPolarHBondContact O-CB 3.36Å; Q224-T227 PolarHBondContact O-N 3.36Å; Q224-D228 PolarHBondContact O-N 3.28Å
225T93.8Very high92.7Very high90 Ų9068.8 Ų68.855%0.55237%0.372SS*.Hα-helixtrans-56-42177.2-44.70000112.6T227 D228 D229T225-T227 VanDerWaalsContact C-N 3.28Å; T225-T227 PolarHBondContact O-N 3.05Å; T225-D228 PolarHBondContact O-N 3.03Å; T225-D229 PolarHBondContact O-N 2.89Å
226L95.4Very high92.6Very high14 Ų1471.4 Ų71.47%0.07338%0.382CS..Hα-helixtrans-72.1-20.8177.9-66.2178.2000113.5R81 M82 R85 H222 L223 Q224 L230R81-L226 HydrophobicContact CB-CD1 3.91Å; R81-L226 HydrophobicContact CB-CD2 3.68Å; R81-L226 HydrophobicContact CB-CG 4.48Å; R81-L226 HydrophobicContact CG-CD2 4.44Å; M82-L226 HydrophobicContact CE-CB 3.53Å; M82-L226 HydrophobicContact SD-CB 4.07Å; M82-L226 HydrophobicContact SD-CD1 4.44Å; R85-L226 HydrophobicContact CB-CD1 4.31Å; R85-L226 HydrophobicContact CG-CD1 3.64Å; H222-L226 WeakPolarHBondContact O-CG 3.33Å; H222-L226 PolarHBondContact O-N 2.84Å; L223-L226 PolarHBondContact O-N 3.29Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.69Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 WeakPolarHBondContact O-CG 3.39Å; L226-L230 PolarHBondContact O-N 3.41Å
227T96.2Very high92.7Very high78 Ų7875 Ų7548%0.47941%0.408SS..Hα-helixtrans-76.4-40.8173.1-580000110.4L223 Q224 T225 L230 K231L223-T227 WeakPolarHBondContact O-CB 3.41Å; L223-T227 PolarHBondContact O-N 2.79Å; L223-T227 PolarHBondContact O-OG1 2.93Å; Q224-T227 WeakPolarHBondContact O-CA 3.38Å; Q224-T227 WeakPolarHBondContact O-CB 3.36Å; Q224-T227 PolarHBondContact O-N 3.36Å; T225-T227 VanDerWaalsContact C-N 3.28Å; T225-T227 PolarHBondContact O-N 3.05Å; T227-L230 PolarHBondContact O-N 3.06Å; T227-K231 VanDerWaalsContact O-CB 3.26Å; T227-K231 WeakPolarHBondContact O-CB 3.41Å; T227-K231 PolarHBondContact O-N 3.01Å
228D95.5Very high93Very high82 Ų8280.1 Ų80.144%0.43943%0.429SS..Hα-helixtrans-69.2-38.7174.2-72.1-51.6000112.4Q224 T225 L230 K231 I232Q224-D228 PolarHBondContact O-N 3.28Å; T225-D228 PolarHBondContact O-N 3.03Å; D228-L230 PolarHBondContact O-N 2.71Å; D228-K231 PolarHBondContact O-N 3.11Å; D228-K231 IonicContact OD1-NZ 3.28Å; D228-I232 WeakPolarHBondContact O-CG1 3.21Å; D228-I232 PolarHBondContact O-N 2.94Å
229D95Very high93.2Very high52 Ų5285.4 Ų85.428%0.27844%0.442SS..Hα-helixtrans-50.7-55.3167.3-86.1-6.9000111R81 T225 K231 I232 L233R81-D229 IonicContact CZ-OD2 2.66Å; R81-D229 IonicContact NE-OD2 2.7Å; R81-D229 IonicContact NH2-OD2 3.42Å; R81-D229 PolarHBondContact NH2-OD2 3.44Å; T225-D229 PolarHBondContact O-N 2.89Å; D229-K231 PolarHBondContact O-N 2.94Å; D229-I232 PolarHBondContact O-N 3.19Å; D229-L233 WeakPolarHBondContact O-CB 3.43Å; D229-L233 VanDerWaalsContact O-CG 3.27Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.27Å
230L96.4Very high93.3Very high26 Ų2688.3 Ų88.314%0.13646%0.458CS..Hα-helixtrans-65.3-38-177.4-79.2169.5000112.2I75 A78 L79 M82 L226 T227 D228 L233 T234I75-L230 HydrophobicContact CG2-CD2 4.36Å; A78-L230 HydrophobicContact CB-CD2 3.58Å; A78-L230 HydrophobicContact CB-CG 3.99Å; L79-L230 HydrophobicContact CD2-CD1 3.98Å; L79-L230 HydrophobicContact CD2-CD2 3.9Å; L79-L230 HydrophobicContact CG-CD2 3.94Å; M82-L230 HydrophobicContact CB-CD1 4.39Å; M82-L230 HydrophobicContact CE-CD1 3.83Å; M82-L230 HydrophobicContact CG-CD1 4.49Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 WeakPolarHBondContact O-CG 3.39Å; L226-L230 PolarHBondContact O-N 3.41Å; T227-L230 PolarHBondContact O-N 3.06Å; D228-L230 PolarHBondContact O-N 2.71Å; L230-L233 PolarHBondContact O-N 3.23Å; L230-T234 WeakPolarHBondContact O-CB 3.34Å; L230-T234 WeakPolarHBondContact O-CG2 3.27Å; L230-T234 PolarHBondContact O-N 2.84Å; L230-T234 PolarHBondContact O-OG1 2.89Å
231K97.3Very high93.8Very high120 Ų12087.5 Ų87.552%0.52246%0.458SS..Hα-helixtrans-59.4-50.5174.7176.9-178.1170.6-169.10110.5T227 D228 D229 L233 T234 M235T227-K231 VanDerWaalsContact O-CB 3.26Å; T227-K231 WeakPolarHBondContact O-CB 3.41Å; T227-K231 PolarHBondContact O-N 3.01Å; D228-K231 PolarHBondContact O-N 3.11Å; D228-K231 IonicContact OD1-NZ 3.28Å; D229-K231 PolarHBondContact O-N 2.94Å; K231-L233 PolarHBondContact O-N 3.17Å; K231-T234 PolarHBondContact O-N 3.47Å; K231-T234 PolarHBondContact O-OG1 3.4Å; K231-M235 HydrophobicContact CG-CE 4.02Å; K231-M235 WeakPolarHBondContact O-CE 3.39Å; K231-M235 WeakPolarHBondContact O-CG 3.47Å; K231-M235 PolarHBondContact O-N 2.86Å
232I95.6Very high94Very high125 Ų12587.4 Ų87.464%0.64147%0.465SS*.Hα-helixtrans-60.4-45.7177.5-67165000110.8D228 D229 T234 M235D228-I232 WeakPolarHBondContact O-CG1 3.21Å; D228-I232 PolarHBondContact O-N 2.94Å; D229-I232 PolarHBondContact O-N 3.19Å; I232-T234 PolarHBondContact O-N 2.69Å; I232-M235 PolarHBondContact O-N 3.49Å
233L95.4Very high94Very high67 Ų6786 Ų8635%0.35146%0.464SS..Hα-helixtrans-68.2-10.7179.6-69.4168.1000114.6D74 I75 A78 D229 L230 K231D74-L233 HydrophobicContact CB-CD2 4.13Å; I75-L233 WeakPolarHBondContact CD1-O 3.46Å; I75-L233 HydrophobicContact CG1-CB 3.97Å; I75-L233 WeakPolarHBondContact CG1-O 3.33Å; A78-L233 HydrophobicContact CB-CD1 3.66Å; D229-L233 WeakPolarHBondContact O-CB 3.43Å; D229-L233 VanDerWaalsContact O-CG 3.27Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 3.27Å; L230-L233 PolarHBondContact O-N 3.23Å; K231-L233 PolarHBondContact O-N 3.17Å
234T95.7Very high94.1Very high66 Ų6685.4 Ų85.441%0.40546%0.462SS..THydrogen-bonded Turntrans-118.312.1-179.555.70000114I75 L230 K231 I232I75-T234 HydrophobicContact CD1-CG2 4.1Å; I75-T234 HydrophobicContact CG1-CG2 4.34Å; I75-T234 HydrophobicContact CG2-CG2 4.49Å; L230-T234 WeakPolarHBondContact O-CB 3.34Å; L230-T234 WeakPolarHBondContact O-CG2 3.27Å; L230-T234 PolarHBondContact O-N 2.84Å; L230-T234 PolarHBondContact O-OG1 2.89Å; K231-T234 PolarHBondContact O-N 3.47Å; K231-T234 PolarHBondContact O-OG1 3.4Å; I232-T234 PolarHBondContact O-N 2.69Å
235M92.8Very high94.2Very high118 Ų11884.6 Ų84.658%0.58146%0.459SS*.SBendtrans-64.5149.6169.5-65.4-65.990.600111.9K231 I232K231-M235 HydrophobicContact CG-CE 4.02Å; K231-M235 WeakPolarHBondContact O-CE 3.39Å; K231-M235 WeakPolarHBondContact O-CG 3.47Å; K231-M235 PolarHBondContact O-N 2.86Å; I232-M235 PolarHBondContact O-N 3.49Å
236D91.1Very high94Very high101 Ų10185 Ų8554%0.5445%0.454SS..SBendtrans43.360.1-178.6-64-12.6000114.8H238 K239D236-H238 PolarHBondContact O-N 3.41Å; D236-K239 HydrophobicContact CB-CB 3.85Å; D236-K239 HydrophobicContact CB-CD 4.29Å; D236-K239 WeakPolarHBondContact O-CB 3.43Å; D236-K239 PolarHBondContact O-N 3.32Å
237P93.8Very high93.8Very high109 Ų10986.3 Ų86.371%0.70846%0.463SS*.THydrogen-bonded Turntrans-64.3-5.1-173.727.9-37.3000115.4
238H95Very high93.5Very high195 Ų19587.5 Ų87.590%0.90347%0.465SS*.THydrogen-bonded Turntrans-1011.8173.1-59.6-50000113.5D236D236-H238 PolarHBondContact O-N 3.41Å
239K93.8Very high93.3Very high146 Ų14687.8 Ų87.864%0.63547%0.469SS*.SBendtrans-112.5141.4177-174.1-179.2174.9-173.70109.1D236D236-K239 HydrophobicContact CB-CB 3.85Å; D236-K239 HydrophobicContact CB-CD 4.29Å; D236-K239 WeakPolarHBondContact O-CB 3.43Å; D236-K239 PolarHBondContact O-N 3.32Å
240L91.2Very high92.8Very high81 Ų8189.4 Ų89.442%0.42448%0.478SS..  trans-79.2128.1176.8-159.266000109.4E245 I248L240-E245 HydrophobicContact CB-CG 4.28Å; L240-E245 HydrophobicContact CD2-CG 3.86Å; L240-E245 HydrophobicContact CG-CG 4.14Å; L240-I248 HydrophobicContact CD2-CD1 3.58Å
241P93.6Very high92.1Very high61 Ų6191.1 Ų91.140%0.39649%0.487SS..  trans-76.2154.5175.630.4-34.4000110.8S243 S244 E245P241-S243 PolarHBondContact O-N 2.88Å; P241-S243 VanDerWaalsContact O-N 3.14Å; P241-S244 WeakPolarHBondContact O-CA 3.18Å; P241-S244 WeakPolarHBondContact O-CB 3.26Å; P241-S244 PolarHBondContact O-N 2.85Å; P241-E245 PolarHBondContact O-N 3.45Å
242A91.8Very high90.6Very high73 Ų7394.3 Ų94.360%0.60350%0.501SS*.Hα-helixtrans-56.4-33.3-177.100000113.7S244 E245 Q246A242-S244 VanDerWaalsContact C-N 3.25Å; A242-S244 PolarHBondContact O-N 2.78Å; A242-E245 PolarHBondContact O-N 3.41Å; A242-Q246 PolarHBondContact O-N 3.11Å
243S91.1Very high89Confident54 Ų5491.9 Ų91.938%0.37851%0.506SS..Hα-helixtrans-67.8-22.3174.555.80000113.7G70 G71 P241G70-S243 WeakPolarHBondContact CA-O 3.36Å; G71-S243 VanDerWaalsContact CA-OG 3.28Å; G71-S243 WeakPolarHBondContact CA-OG 3.37Å; G71-S243 PolarHBondContact N-OG 3.42Å; P241-S243 PolarHBondContact O-N 2.88Å; P241-S243 VanDerWaalsContact O-N 3.14Å
244S93.4Very high87.4Confident14 Ų1491.9 Ų91.910%0.09851%0.512CS..Hα-helixtrans-88.7-32.7170.1-65.50000112.7G70 G71 P241 A242 Q246 V247G70-S244 WeakPolarHBondContact CA-OG 3.41Å; G71-S244 PolarHBondContact N-OG 2.92Å; P241-S244 WeakPolarHBondContact O-CA 3.18Å; P241-S244 WeakPolarHBondContact O-CB 3.26Å; P241-S244 PolarHBondContact O-N 2.85Å; A242-S244 VanDerWaalsContact C-N 3.25Å; A242-S244 PolarHBondContact O-N 2.78Å; S244-Q246 VanDerWaalsContact C-N 3.34Å; S244-V247 PolarHBondContact O-N 2.95Å
245E93.9Very high85.3Confident105 Ų10597.9 Ų97.949%0.49154%0.536SS..Hα-helixtrans-62.3-41.2171.2-69.6-176.3158.500111.5L240 P241 A242 V247 I248 V249L240-E245 HydrophobicContact CB-CG 4.28Å; L240-E245 HydrophobicContact CD2-CG 3.86Å; L240-E245 HydrophobicContact CG-CG 4.14Å; P241-E245 PolarHBondContact O-N 3.45Å; A242-E245 PolarHBondContact O-N 3.41Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 3.4Å; E245-I248 WeakPolarHBondContact O-CA 3.38Å; E245-I248 WeakPolarHBondContact O-CB 3.5Å; E245-I248 PolarHBondContact O-N 3.05Å; E245-V249 PolarHBondContact O-N 2.87Å; E245-V249 VanDerWaalsContact O-N 3.12Å
246Q90.7Very high83.2Confident97 Ų9795.1 Ų95.145%0.45353%0.527SS..Hα-helixtrans-56.6-39.2176.6-170.862.246.200112.2A242 S244 I248 V249 D250A242-Q246 PolarHBondContact O-N 3.11Å; S244-Q246 VanDerWaalsContact C-N 3.34Å; Q246-I248 PolarHBondContact O-N 3.4Å; Q246-V249 WeakPolarHBondContact O-CB 3.28Å; Q246-V249 PolarHBondContact O-N 3.34Å; Q246-D250 PolarHBondContact NE2-OD1 3.46Å; Q246-D250 PolarHBondContact O-N 2.95Å
247V90.8Very high81.1Confident43 Ų4396.1 Ų96.126%0.26154%0.537SS..Hα-helixtrans-62.2-30176.6176.70000112.3R69 S244 E245 L251R69-V247 HydrophobicContact CB-CG1 4.28Å; S244-V247 PolarHBondContact O-N 2.95Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 3.4Å; V247-L251 VanDerWaalsContact O-CB 3.25Å; V247-L251 WeakPolarHBondContact O-CB 3.33Å; V247-L251 PolarHBondContact O-N 3.05Å
248I89.7Confident79.3Confident103 Ų10398.7 Ų98.753%0.52853%0.533SS..Hα-helixtrans-74.8-38.4174.7-57.2175.4000110.4L240 E245 Q246 K252L240-I248 HydrophobicContact CD2-CD1 3.58Å; E245-I248 WeakPolarHBondContact O-CA 3.38Å; E245-I248 WeakPolarHBondContact O-CB 3.5Å; E245-I248 PolarHBondContact O-N 3.05Å; Q246-I248 PolarHBondContact O-N 3.4Å; I248-K252 WeakPolarHBondContact O-CB 3.44Å; I248-K252 PolarHBondContact O-N 3.35Å; I248-K252 VanDerWaalsContact O-N 3.16Å
249V90.8Very high77Confident87 Ų8794.2 Ų94.253%0.52752%0.524SS..Hα-helixtrans-66.1-47.8176178.20000111.1E245 Q246 L251 K252 G253E245-V249 PolarHBondContact O-N 2.87Å; E245-V249 VanDerWaalsContact O-N 3.12Å; Q246-V249 WeakPolarHBondContact O-CB 3.28Å; Q246-V249 PolarHBondContact O-N 3.34Å; V249-L251 VanDerWaalsContact C-N 3.32Å; V249-L251 PolarHBondContact O-N 3.01Å; V249-K252 CarbonylContact O-C 3.55Å; V249-K252 WeakPolarHBondContact O-CA 3.2Å; V249-K252 WeakPolarHBondContact O-CB 3.41Å; V249-K252 PolarHBondContact O-N 3.47Å; V249-G253 PolarHBondContact O-N 3.4Å
250D85.8Confident74.9Confident86 Ų8697 Ų9746%0.4653%0.531SS..Hα-helixtrans-62.1-39.7179-63.2-19.7000111.7Q246 K252 G253 S254Q246-D250 PolarHBondContact NE2-OD1 3.46Å; Q246-D250 PolarHBondContact O-N 2.95Å; D250-K252 VanDerWaalsContact C-N 3.27Å; D250-K252 PolarHBondContact O-N 3.36Å; D250-G253 PolarHBondContact O-N 3.41Å; D250-S254 PolarHBondContact O-N 3.01Å; D250-S254 VanDerWaalsContact O-N 3.17Å; D250-S254 PolarHBondContact O-OG 3.47Å
251L81Confident72.6Confident62 Ų62101.4 Ų101.433%0.32555%0.55SS.*Hα-helixtrans-63.7-33174.1-178.464.2000112.1V247 V249 S254 C256 W258V247-L251 VanDerWaalsContact O-CB 3.25Å; V247-L251 WeakPolarHBondContact O-CB 3.33Å; V247-L251 PolarHBondContact O-N 3.05Å; V249-L251 VanDerWaalsContact C-N 3.32Å; V249-L251 PolarHBondContact O-N 3.01Å; L251-S254 PolarHBondContact O-N 2.98Å; L251-C256 HydrophobicContact CD1-CB 3.98Å; L251-W258 HydrophobicContact CD1-CZ2 4.04Å; L251-W258 HydrophobicContact CD2-CZ2 4.06Å
252K66.8Low70.7Confident188 Ų188103.9 Ų103.982%0.81756%0.564SS**Hα-helixtrans-80.2-24.4178.1-169.2179.1179.2-175.70113.2I248 V249 D250 S254I248-K252 WeakPolarHBondContact O-CB 3.44Å; I248-K252 PolarHBondContact O-N 3.35Å; I248-K252 VanDerWaalsContact O-N 3.16Å; V249-K252 CarbonylContact O-C 3.55Å; V249-K252 WeakPolarHBondContact O-CA 3.2Å; V249-K252 WeakPolarHBondContact O-CB 3.41Å; V249-K252 PolarHBondContact O-N 3.47Å; D250-K252 VanDerWaalsContact C-N 3.27Å; D250-K252 PolarHBondContact O-N 3.36Å; K252-S254 VanDerWaalsContact C-N 3.3Å
253G61.5Low69Low73 Ų73105.3 Ų105.375%0.75357%0.567SS**Hα-helixtrans-81.1-8.2168.900000113.9V249 D250V249-G253 PolarHBondContact O-N 3.4Å; D250-G253 PolarHBondContact O-N 3.41Å
254S61.1Low67.4Low68 Ų68108.1 Ų108.148%0.47658%0.584SS.*SBendtrans-95.8133.3176.8-58.90000110.6D250 L251 K252 C256D250-S254 PolarHBondContact O-N 3.01Å; D250-S254 VanDerWaalsContact O-N 3.17Å; D250-S254 PolarHBondContact O-OG 3.47Å; L251-S254 PolarHBondContact O-N 2.98Å; K252-S254 VanDerWaalsContact C-N 3.3Å; S254-C256 PolarHBondContact O-N 3.35Å
255E51.2Low65.5Low192 Ų192112.8 Ų112.890%0.89762%0.617SS**  trans-70.257.2165.1-75.1-70.1161.600110.4T257E255-T257 VanDerWaalsContact C-N 3.33Å; E255-T257 PolarHBondContact O-N 3.34Å
256C49.5Very low63.8Low60 Ų60112.6 Ų112.641%0.40563%0.627SS.*  trans-75.387.7-175.8-165.80000108.9L251 S254 W258L251-C256 HydrophobicContact CD1-CB 3.98Å; S254-C256 PolarHBondContact O-N 3.35Å; C256-W258 PolarHBondContact O-N 2.96Å
257T47.5Very low61.8Low122 Ų122113.9 Ų113.975%0.74864%0.644SS**  trans-63.291.3166.4-60.70000107.8E255 S259E255-T257 VanDerWaalsContact C-N 3.33Å; E255-T257 PolarHBondContact O-N 3.34Å; T257-S259 PolarHBondContact O-N 2.88Å
258W54.2Low59.6Low162 Ų162117 Ų11761%0.61467%0.667SS**  trans-65.685.5169.1-73.588.9000108.1L251 C256 Y260L251-W258 HydrophobicContact CD1-CZ2 4.04Å; L251-W258 HydrophobicContact CD2-CZ2 4.06Å; C256-W258 PolarHBondContact O-N 2.96Å; W258-Y260 HydrophobicContact CB-CD2 4.36Å; W258-Y260 HydrophobicContact CB-CE2 4.28Å; W258-Y260 PolarHBondContact O-N 3.48Å
259S47.5Very low57.6Low101 Ų101118.5 Ų118.571%0.70668%0.682SS**  trans-65.284.9165490000107.9T257 Q261T257-S259 PolarHBondContact O-N 2.88Å; S259-Q261 PolarHBondContact O-N 2.64Å
260Y49.3Very low55.7Low204 Ų204121 Ų12180%0.870%0.697SS**  trans-53.998158.1-81.2-87.7000106.4W258 T262W258-Y260 HydrophobicContact CB-CD2 4.36Å; W258-Y260 HydrophobicContact CB-CE2 4.28Å; W258-Y260 PolarHBondContact O-N 3.48Å; Y260-T262 PolarHBondContact O-N 3.3Å
261Q43.8Very low53.9Low175 Ų175123 Ų12382%0.81871%0.713SS**  trans-76.275.4-178.8-168171.513.500107.4S259 P263S259-Q261 PolarHBondContact O-N 2.64Å; Q261-P263 VanDerWaalsContact O-N 3.15Å
262T54.3Low52Low112 Ų112125.1 Ų125.169%0.68773%0.733SS**  trans-43.3122.8165.2-55.40000106.6Y260Y260-T262 PolarHBondContact O-N 3.3Å
263P56.2Low51.3Low103 Ų103127.4 Ų127.467%0.66974%0.736SS**PPolyproline II helixtrans-54131.1-172.520.3-32.5000108.7Q261 S265Q261-P263 VanDerWaalsContact O-N 3.15Å; P263-S265 PolarHBondContact O-N 2.99Å; P263-S265 VanDerWaalsContact O-N 3.12Å
264P56.5Low50.2Low114 Ų114132.7 Ų132.774%0.7474%0.738SS**PPolyproline II helixtrans-56.5123.6-170.222.2-33.3000109.2S266P264-S266 PolarHBondContact O-N 3.29Å
265S53.5Low49.3Very low112 Ų112134.9 Ų134.978%0.78375%0.753SS**PPolyproline II helixtrans-48125.1-174.8-57.20000110.5P263P263-S265 PolarHBondContact O-N 2.99Å; P263-S265 VanDerWaalsContact O-N 3.12Å
266S58.5Low48.9Very low101 Ų101131.2 Ų131.271%0.70675%0.749SS**  trans-44.9132.2-177.9-56.50000110.7P264 S268P264-S266 PolarHBondContact O-N 3.29Å; S266-S268 PolarHBondContact O-N 3.47Å
267P48.4Very low48.3Very low124 Ų124136.5 Ų136.581%0.80577%0.77SS**  trans-59.2106.8-169.722.7-33.6000110.2T269P267-T269 PolarHBondContact O-N 3.04Å
268S45.3Very low47.8Very low107 Ų107136.8 Ų136.875%0.74878%0.775SS**  trans-66.8106.4-177.5-69.60000109.1S266 T270S266-S268 PolarHBondContact O-N 3.47Å; S268-T270 PolarHBondContact O-N 3.12Å
269T47.4Very low47.1Very low135 Ų135134.9 Ų134.983%0.82879%0.787SS**  trans-64.5107.3-179.440.60000110P267 V271P267-T269 PolarHBondContact O-N 3.04Å; T269-V271 PolarHBondContact O-N 3.12Å
270T50.6Low46.6Very low139 Ų139135.7 Ų135.785%0.85379%0.793SS**  trans-71.786.6-178.3510000111.2S268S268-T270 PolarHBondContact O-N 3.12Å
271V48.2Very low46.1Very low130 Ų130133.7 Ų133.779%0.78880%0.795SS**  trans-171.899.3141.1142.10000109.9T269T269-V271 PolarHBondContact O-N 3.12Å
272S40.9Very low45.7Very low106 Ų106132.7 Ų132.774%0.74180%0.795SS**  trans174.685.4131.1-82.10000113.7
273R51.9Low44.9Very low236 Ų236133.2 Ų133.289%0.89180%0.803SS**  trans35.6152134.5-55.9-176.9-178.6-158.1-1121.4
274K39.2Very low43.9Very low184 Ų184134.4 Ų134.480%0.881%0.808SS**  trans76.1118.5161.859.1169.1-176.1-53.90119.5
275S41.9Very low42.9Very low113 Ų113135.7 Ų135.779%0.7981%0.809SS**  trans63.9141.5155.539.90000119
276S42.8Very low41.9Very low115 Ų115135 Ų13580%0.80480%0.804SS**  cis-161.2168.1-6.641.40000111.9
277M37.2Very low40.9Very low172 Ų172135.2 Ų135.285%0.84781%0.806SS**  trans-40.6136.1173.2-61.2-68.3-172.700114.4
278C37.3Very low40.2Very low127 Ų127136.4 Ų136.486%0.85881%0.805SS**  -163.9127.4112.1-112.90000111.3
279S37.4Very low39.7Very low123 Ų123135.1 Ų135.186%0.8680%0.796SS**  trans-97.9130168.1-53.90000109
280S39Very low39.2Very low118 Ų118139.7 Ų139.783%0.82580%0.798SS**  trans-148.2137.1160.748.80000110.8
281L37.2Very low38.4Very low162 Ų162138 Ų13885%0.84879%0.792SS**  trans-100.2162.1178.6-68.2160.2000109.8
282N36.7Very low37.8Very low154 Ų154137.3 Ų137.382%0.82479%0.793SS**  trans38.5113.5155.7-64.76.1000119.2
283S36.9Very low37.3Very low122 Ų122136 Ų13685%0.85380%0.796SS**  trans-131.2114145.860.50000109.8
284V35.4Very low36.5Very low128 Ų128129.8 Ų129.878%0.77679%0.789SS**  trans-89.4177.1170.1-69.50000110.5
285N35.7Very low36.3Very low142 Ų142128.9 Ų128.976%0.75979%0.787SS**  trans85.7101.7172.1-68.825.1000118.8
286S32.3Very low35.8Very low98 Ų98127.4 Ų127.469%0.68578%0.776SS**  64.2108.1111.3-49.80000121.7
287S36.4Very low35.3Very low105 Ų105130.3 Ų130.373%0.73478%0.776SS**  70.6149.5119.9-53.20000122.3
288D35.3Very low35.2Very low148 Ų148127.6 Ų127.679%0.79177%0.774SS**  trans68147.4159.8-80.8-62.5000118.4
289S34.7Very low35.8Very low80 Ų80127.2 Ų127.256%0.55977%0.77SS**  cis-158.4150.7-15.9-136.50000112.1
290R36.6Very low35.8Very low232 Ų232127.7 Ų127.788%0.87577%0.768SS**  trans44.2133.9141.9-63165.573.8179.74.2122.1
291S34.3Very low35.7Very low102 Ų102125.9 Ų125.971%0.71376%0.756SS**  96.3100129.8-1730000122.6
292S34.9Very low35.7Very low116 Ų116125.3 Ų125.381%0.81175%0.748SS**  74.6127.3120.6-44.70000123.6
293G29.8Very low35.5Very low79 Ų79126 Ų12681%0.81474%0.744SS**  trans83.4156.4153.700000116.1
294S36.4Very low35.2Very low105 Ų105130.9 Ų130.973%0.73474%0.744SS**  cis-164.9163.4-12.552.50000107.1
295H35.2Very low34.9Very low166 Ų166135.7 Ų135.777%0.76975%0.75SS**  -180169.467.9-127.781.1000110.3
296C30.1Very low34.6Very low82 Ų82140.5 Ų140.555%0.55476%0.757SS**  trans7.4152.7163.4590000123.1
297H32.4Very low34.4Very low175 Ų175139.7 Ų139.781%0.8176%0.757SS**  cis-145.7167.537.8-63.6-97.7000115.6
298S35.2Very low34.1Very low115 Ų115140.4 Ų140.480%0.80476%0.762SS**  trans-132.3161.3169.6-510000110.7
299P50.3Low33.8Very low119 Ų119138.5 Ų138.577%0.77376%0.76SS**  -134143.8104.721.3-2.2000112.8
300T36.2Very low33.4Very low134 Ų134139.7 Ų139.782%0.82277%0.769SS**  76.313270.1-110.80000113.5
301S38.5Very low33.1Very low80 Ų80134.6 Ų134.656%0.55977%0.768SS**  cis-163.7159.8-360.20000113.9
302H35.8Very low32.8Very low150 Ų150135 Ų13569%0.69477%0.771SS**  trans57.6150.8156.4-56.8-47.6000119.5
303F32.9Very low32.5Very low169 Ų169134.9 Ų134.974%0.74177%0.77SS**  cis-163-176.3-11.9-109.1-37.6000106.6
304R30.8Very low32.4Very low223 Ų223135.9 Ų135.984%0.84277%0.765SS**  cis-146.6-132.412.2-150.6174.9-69.9176.6-0.4110.7
305Y28.9Very low32Very low230 Ų230136.8 Ų136.890%0.90277%0.765SS**  trans-160.2140.8-178.5-148.5-90.2000110.4
306R29Very low31.8Very low242 Ų242136.4 Ų136.491%0.91377%0.768SS**  trans173.9153.4146179.9160.9-85.3-144.8-3.5112.2
307A27.8Very low32.3Very low82 Ų82137.4 Ų137.468%0.67877%0.774SS**  trans-84.3175.4-169.800000117.3
308S30Very low32Very low119 Ų119136.8 Ų136.883%0.83277%0.771SS**  trans69.6131.4160.8-53.20000116.1
309S29Very low31.7Very low108 Ų108139.1 Ų139.176%0.75577%0.77SS**  cis-171.4178.34851.60000112.8
310S27.6Very low30.5Very low106 Ų106139.7 Ų139.774%0.74177%0.771SS**  trans35.1120.1149.6-53.20000121.5
311S30.3Very low30.7Very low125 Ų125139 Ų13987%0.87477%0.769SS**  -172.2151.5109.6-79.70000112.6
312S28.6Very low30.3Very low109 Ų109139.5 Ų139.576%0.76278%0.778SS**  trans-104.8171.5-179.3-53.60000111.7
313S28Very low30.3Very low115 Ų115143 Ų14380%0.80479%0.785SS**  trans69.6161.915580.50000116.8
314S28.2Very low30.3Very low99 Ų99141.4 Ų141.469%0.69278%0.783SS**  cis-172.4145.9-28.150.20000111.5
315V27.1Very low30.4Very low124 Ų124134.6 Ų134.675%0.75277%0.77SS**  trans57.8103.2141.8178.60000119.5
316L30.3Very low30.5Very low159 Ų159129.1 Ų129.183%0.83277%0.765SS**  trans59.8174.2139.4-94.669000119.8
317P42.3Very low30.7Very low103 Ų103123.8 Ų123.867%0.66976%0.759SS**  cis-129.5-179.5-9.634.5-15.4000116
318Q25.3Very low31Very low162 Ų162124.5 Ų124.576%0.75776%0.76SS**  trans89.2141.1138.7-120.3-174.1-22.900123
319Q28.1Very low31.4Very low164 Ų164123 Ų12377%0.76675%0.749SS**  trans75.999.5157.3-50.7-160.413.500121.6
320T25.6Very low31.7Very low130 Ų130126 Ų12680%0.79875%0.751SS**  trans-65.2170145.846.50000111
321P40.3Very low31.7Very low120 Ų120127.8 Ų127.878%0.77975%0.752SS**  cis-153-171.136.644.8-22.8000119.4
322A30.8Very low32.1Very low91 Ų91126.7 Ų126.775%0.75275%0.745SS**  trans71.4148.1169.100000115.6
323R34.6Very low32.2Very low223 Ų223125.4 Ų125.484%0.84275%0.748SS**  cis-163.2167.33.1-128.7-179.5179.4-157.80.6106.6
324L34.8Very low32.4Very low135 Ų135129.4 Ų129.471%0.70775%0.751SS**  cis-153.1174.59.7-88.8172.1000106.1
325S32.3Very low32.4Very low81 Ų81132.3 Ų132.357%0.56676%0.757SS**  cis-177.4145.7-33.158.10000111.6
326S30.8Very low32.6Very low114 Ų114131.2 Ų131.280%0.79776%0.755SS**  trans68.8164.4154.2-49.80000116.5
327V33.6Very low32.7Very low130 Ų130131.8 Ų131.879%0.78875%0.754SS**  cis-142.8119.424.4174.60000111.8
328S33.7Very low32.1Very low98 Ų98133 Ų13369%0.68576%0.755SS**  trans64.5151.7132.9-132.10000121.6
329S37.4Very low32.4Very low88 Ų88128.9 Ų128.962%0.61575%0.749SS**  cis-157.8147.4-1.5-1.30000112.9
330H36.3Very low32.6Very low170 Ų170131.2 Ų131.279%0.78775%0.752SS**  trans54.2121.3143-52.5-41.4000120.5
331D28.2Very low32.7Very low144 Ų144133.8 Ų133.877%0.7776%0.755SS**  78.5135.152.8-168.377.7000111.8
332S38Very low32.1Very low102 Ų102132.1 Ų132.171%0.71375%0.746SS**  cis179.3159.5-16.9-85.20000104.4
333G31.5Very low32Very low81 Ų81137.1 Ų137.184%0.83575%0.75SS**  trans177.894.3177.500000117.6
334F30.4Very low31.8Very low200 Ų200131.7 Ų131.788%0.87775%0.747SS**  trans-77.7151.3161.1-126.4-140000108.1
335I28.8Very low32Very low159 Ų159131.6 Ų131.682%0.81575%0.754SS**  -164.1-177.757.342.2173.9000112.3
336S32.5Very low32Very low102 Ų102133.3 Ų133.371%0.71377%0.766SS**  trans-97.3-175.7-166-440000117.3
337Q31.2Very low32.8Very low171 Ų171133.2 Ų133.280%0.79976%0.763SS**  trans80.1145165.6-53.2-166.2-96.100117
338D29.5Very low32.8Very low128 Ų128134.9 Ų134.968%0.68476%0.764SS**  cis-159.1-163.2-19.9-89.9-30.7000105.9
339A32.9Very low33.4Very low76 Ų76135.4 Ų135.463%0.62877%0.765SS**  cis-163.8163.212.200000114.3
340Y31Very low34.4Very low212 Ų212136.1 Ų136.183%0.83177%0.768SS**  trans23.7139.9154.8-50.7-59.5000125.4
341Q27.8Very low34Very low185 Ų185134.9 Ų134.986%0.86477%0.767SS**  -149.1107.9119.3-130.5-179.785.600114
342S28.9Very low33.9Very low84 Ų84134 Ų13459%0.58776%0.762SS**  trans40.8147.7139.483.10000122.1
343K27.6Very low33.5Very low196 Ų196135.2 Ų135.285%0.85276%0.76SS**  cis-149.3157.426.6-63.7171.2-177174.40112.3
344S31Very low33.4Very low110 Ų110139.1 Ų139.177%0.76976%0.757SS**  trans-124.8167.2159.6-49.40000109.7
345P38.3Very low33.1Very low132 Ų132134.6 Ų134.686%0.85775%0.75SS**  trans-124156.2141.936.1-28.1000112.8
346S31.8Very low33.1Very low117 Ų117133.1 Ų133.182%0.81875%0.748SS**  trans-107.8169.6-175.7-68.60000112.6
347P48.4Very low32.9Very low112 Ų112134.3 Ų134.373%0.72775%0.746SS**  trans-110.3-172.9-161.842.3-36.3000116
348M33.2Very low32.8Very low166 Ų166134 Ų13482%0.81875%0.745SS**  trans79.8162.8158.2-66.1-102.784.600118.4
349P46.8Very low32.6Very low109 Ų109136.2 Ų136.271%0.70875%0.751SS**  cis-126.7-115.2-15.124.22.6000116.1
350P58.8Low32.4Very low103 Ų103137.7 Ų137.767%0.66976%0.757SS**  -136.4178.8-122.745-25.6000117.7
351D27.7Very low32.3Very low144 Ų144132.3 Ų132.377%0.7775%0.75SS**  trans168.4166.5144.4-99.5-12.5000111.2
352N26.4Very low32.4Very low126 Ų126128.4 Ų128.467%0.67474%0.743SS**  cis-167.4-166.7-35.7-147.2-62.9000109.4
353L29.1Very low32.5Very low127 Ų127129.3 Ų129.367%0.66575%0.749SS**  trans65.8101.4163.5-59.4176000117.5
354Q28.6Very low32.5Very low163 Ų163125.2 Ų125.276%0.76275%0.745SS**  86.510285.2-82.5-177.812.300113.3
355S25.7Very low32.5Very low105 Ų105125.8 Ų125.873%0.73475%0.749SS**  104.2158.686.370.10000110.3
356V27.9Very low32.1Very low128 Ų128125 Ų12578%0.77675%0.747SS**  cis-142.2167.221.2-174.70000111.3
357N28.4Very low32.5Very low127 Ų127125 Ų12568%0.67974%0.744SS**  trans-40.9160.7-174.9-60.817.7000123.9
358E28.8Very low31.5Very low164 Ų164124.5 Ų124.577%0.76674%0.743SS**  100.4169.3129.4-93.1157.1-12200122.9
359E26.3Very low31.4Very low175 Ų175124.8 Ų124.882%0.81874%0.743SS**  trans-89.4165.1-137-62-178.785.800117.9
360S28.7Very low31.4Very low106 Ų106125.3 Ų125.374%0.74175%0.746SS**  trans103133134.777.20000121.3
361S29Very low30.1Very low99 Ų99127.7 Ų127.769%0.69275%0.748SS**  trans61115.8150.144.80000122.8
362S29.2Very low31.1Very low104 Ų104125.3 Ų125.373%0.72774%0.741SS**  trans67.2115.6132.862.80000122.7
363S30.7Very low31.4Very low102 Ų102123.6 Ų123.671%0.71374%0.739SS**  trans71.5115130.762.20000122.9
364S28Very low31.6Very low110 Ų110122.1 Ų122.177%0.76974%0.739SS**  90.2155.1125.877.30000122.1
365S29.9Very low31.8Very low122 Ų122116.7 Ų116.785%0.85373%0.726SS**  trans83138169.5720000119.6
366S31.3Very low32.2Very low116 Ų116119.5 Ų119.581%0.81173%0.728SS**  trans-101169.8173.6-40.10000110.6
367P39.2Very low32.5Very low116 Ų116120.4 Ų120.475%0.75372%0.724SS**  -158.5176.5100.138.6-18.1000118.9
368S28.7Very low32.7Very low102 Ų102121.7 Ų121.771%0.71373%0.725SS**  trans68117.4143.156.20000125.3
369H29.5Very low32.8Very low173 Ų173121 Ų12180%0.80173%0.726SS**  26.8151.6116.7-82.2-76.6000122.5
370P47.1Very low34.1Very low120 Ų120118 Ų11878%0.77972%0.722SS**  -122.1161.851.38.817.2000116.1
371E32.3Very low34.2Very low152 Ų152120.4 Ų120.471%0.7173%0.727SS**  71150.767-100.7-93114.200114.3S373E371-S373 PolarHBondContact OE1-N 3.19Å
372P49.3Very low34.2Very low95 Ų95118.7 Ų118.762%0.61772%0.724SS**  cis-145172.52043.6-23.5000122.5
373S32.7Very low34.2Very low90 Ų90123.2 Ų123.263%0.62973%0.731SS**  trans70.3151.3144.260.90000122E371E371-S373 PolarHBondContact OE1-N 3.19Å
374S33Very low34.2Very low96 Ų96125.2 Ų125.267%0.67173%0.734SS**  cis-171.4138.3-6.344.90000116.3
375G32.2Very low34.3Very low48 Ų48127 Ų12750%0.49573%0.73SS.*  trans83.1160.4144.500000121
376Q34.8Very low34.3Very low164 Ų164129.3 Ų129.377%0.76673%0.727SS**  cis-172123.1-17.7-174.5175.2-12.700112.7
377Q34.4Very low34.3Very low147 Ų147128.2 Ų128.269%0.68773%0.725SS**  trans66.1157.2160.1-86.3168.2-85.900119.6
378Q30.9Very low34Very low154 Ų154127.7 Ų127.772%0.7273%0.731SS**  cis-150-127.9-7.1-153.2173.8-8800114.3
379L31.4Very low34Very low149 Ų149131.1 Ų131.178%0.7874%0.74SS**  trans-158.7172.1-163.3-83176000112
380P53.3Low33.9Very low113 Ų113128.6 Ų128.673%0.73474%0.74SS**  cis-124.4-154.34.437.5-15.8000112
381N31.8Very low33Very low157 Ų157130.1 Ų130.184%0.8474%0.741SS**  cis-163170.45.8-159.57.7000112.2
382G28.5Very low32.9Very low62 Ų62131.9 Ų131.964%0.63975%0.749SS**  trans114.3125152.100000118.6
383F29.6Very low31.9Very low199 Ų199130.2 Ų130.287%0.87375%0.749SS**  trans-57.9151.9176-71.7-106.5000113
384D30.4Very low31.7Very low145 Ų145132.5 Ų132.578%0.77576%0.759SS**  -164.6-162.557.4-139.5-52.8000114.8
385H30.8Very low31.5Very low147 Ų147134 Ų13468%0.68176%0.764SS**  trans-87.8152-158.7-91.5-100.8000121
386H28.4Very low31.4Very low170 Ų170137.7 Ų137.779%0.78777%0.772SS**  trans76.7114.3145.3-83.7-63.9000124.5
387A31.2Very low31.2Very low93 Ų93135.3 Ų135.377%0.76976%0.761SS**  95155.4128.400000122.2
388A32.9Very low31.1Very low106 Ų106132 Ų13288%0.87677%0.765SS**  trans74.6147.4179.900000117.8
389L28.6Very low31.2Very low174 Ų174131.3 Ų131.391%0.91177%0.766SS**  trans-126.6138.7-170.1-76164.2000111.3
390C27.4Very low31Very low120 Ų120130.8 Ų130.881%0.81176%0.764SS**  trans-164.5130.9142.7-118.50000113.5
391L30Very low29.9Very low152 Ų152130.4 Ų130.480%0.79676%0.76SS**  trans63.4119152.3-77.6156.6000122.1
392H29.1Very low29.7Very low188 Ų188130.9 Ų130.987%0.8776%0.757SS**  trans81.4105.2130.4-141.8-83.2000121.2
393G29.1Very low29.7Very low61 Ų61135.2 Ų135.263%0.62976%0.764SS**  trans133.4124.214000000120.7
394V28.7Very low29.6Very low138 Ų138134.2 Ų134.284%0.83676%0.762SS**  71.4104.2129.5-176.40000121
395V28.6Very low30.2Very low126 Ų126131.3 Ų131.376%0.76475%0.751SS**  trans87.9126.6135.1168.30000123.8
396L30Very low30Very low127 Ų127129.9 Ų129.967%0.66576%0.757SS**  trans44.4115.6150.1-68.4171.7000125.1
397Q31.1Very low29.8Very low114 Ų114130.7 Ų130.753%0.53376%0.755SS.*  62.3123.2111.4-161.217446.100121.5
398G32.3Very low29.5Very low76 Ų76131.9 Ų131.978%0.78475%0.753SS**  trans-173.5115.6166.100000113.5
399L31.7Very low29.2Very low141 Ų141132.7 Ų132.774%0.73875%0.747SS**  trans-60.4155.8-173.2-97.466.6000116.9
400D27.8Very low29.1Very low137 Ų137134.2 Ų134.273%0.73374%0.742SS**  20.1152.4121.3-63.1-80.9000119.8
401T30.6Very low29Very low105 Ų105133.4 Ų133.464%0.64474%0.737SS**  -166.7152.754.448.70000114.5
402H26.3Very low29Very low168 Ų168131.2 Ų131.278%0.77874%0.735SS**  trans66.3161.4143.7-71.6-156.7000118.2
403L28.3Very low29Very low153 Ų153127.4 Ų127.480%0.80173%0.73SS**  cis-117.7145.6-5.7-81.893.6000109.1
404H28Very low29.1Very low177 Ų177129.5 Ų129.582%0.81974%0.735SS**  74.2144.673.1-127.3-113.9000115
405P43.9Very low29.1Very low84 Ų84129.2 Ų129.255%0.54573%0.733SS.*  trans-120.9-173.4-14344.7-36.1000115.5
406S25.2Very low29.1Very low117 Ų117129 Ų12982%0.81873%0.732SS**  trans-155.7158153.2-76.40000111.5
407Y25.3Very low29.2Very low187 Ų187129.5 Ų129.573%0.73374%0.741SS**  cis164.8128.2-36.2-116.2-63.6000106.3
408V25.1Very low29.2Very low119 Ų119129.6 Ų129.672%0.72175%0.754SS**  trans54.7166168.4-83.30000117.7
409T27.1Very low29.5Very low123 Ų123131.2 Ų131.276%0.75575%0.751SS**  cis-148.1130.511.7-13.30000107.3
410Y25.3Very low29.4Very low205 Ų205132 Ų13280%0.80475%0.754SS**  87.8144.365-124-84000116.1
411S26.5Very low29.3Very low103 Ų103131 Ų13172%0.7276%0.758SS**  trans87.1121.3-178.1-39.90000114.8
412S28.6Very low29.1Very low107 Ų107131.6 Ų131.675%0.74877%0.766SS**  cis81.5132.146-53.20000112.3
413S30.4Very low29.6Very low108 Ų108128.7 Ų128.776%0.75576%0.763SS**  cis-158.4171.630.3-53.20000115.4
414S30.5Very low29.5Very low105 Ų105127.3 Ų127.373%0.73477%0.766SS**  trans84.1107.9145.2-55.50000123.1
415T27.8Very low29.5Very low132 Ų132129.7 Ų129.781%0.8177%0.769SS**  trans48.5132.3137.256.50000120.9
416T29.3Very low28.6Very low121 Ų121134.4 Ų134.474%0.74278%0.784SS**  -154.5162.854.446.30000115.9
417T31.4Very low28.5Very low137 Ų137134.7 Ų134.784%0.8478%0.784SS**  trans62.1117.1156460000121.4
418S32Very low28.6Very low117 Ų117131.4 Ų131.482%0.81878%0.784SS**  trans-84.2178.3170.4-12.40000112.4
419P39.2Very low28.5Very low109 Ų109131 Ų13171%0.70879%0.786SS**  cis-145.3163.733.642.2-21.8000120.2
420I28.1Very low28.8Very low159 Ų159131.1 Ų131.182%0.81579%0.789SS**  trans46114143.6-59.3165.7000119.4
421S26.5Very low28.9Very low115 Ų115127.8 Ų127.880%0.80479%0.79SS**  -164.3154127-83.90000112
422S27.2Very low28.9Very low117 Ų117134.7 Ų134.782%0.81880%0.8SS**  trans-157.5173.3176.7-55.90000108.7
423P35.3Very low28.8Very low108 Ų108133.6 Ų133.670%0.70180%0.798SS**  -117.7165.4-56.837.5-27.3000110.9
424S25.9Very low28.6Very low124 Ų124140.6 Ų140.687%0.86781%0.808SS**  trans-112.8108.9174.5-66.60000111.7
425Y29Very low28.4Very low227 Ų227141.3 Ų141.389%0.8981%0.813SS**  trans-97.1141.7163.6-84-86000110.1
426Q25.7Very low28.4Very low182 Ų182146.5 Ų146.585%0.8582%0.817SS**  trans-118.5141.5174.3-66.6-175.1-200111
427C23.3Very low28.3Very low124 Ų124147 Ų14784%0.83883%0.826SS**  trans-155.990.1158.1-1650000106.4
428V25.6Very low28.1Very low118 Ų118143.6 Ų143.672%0.71582%0.818SS**  67.5104.186.3179.80000113.3
429S24Very low27.9Very low109 Ų109147.8 Ų147.876%0.76282%0.822SS**  trans170.3145.1140-79.60000110.7
430P33.9Very low27.2Very low126 Ų126148.1 Ų148.182%0.81883%0.827SS**  -121.5141.6-61.235-22.9000111.4
431T26.3Very low27.4Very low135 Ų135148.7 Ų148.783%0.82883%0.826SS**  trans-120.8126.8177.9-400000110.2A433T431-A433 PolarHBondContact O-N 2.87Å
432W27.8Very low27.4Very low248 Ų248149.3 Ų149.394%0.93983%0.825SS**  trans-68128.8167.9-103.336000110
433A25.8Very low27.3Very low84 Ų84146.9 Ų146.969%0.69482%0.818SS**  trans-115.5125.7177.100000110.6T431T431-A433 PolarHBondContact O-N 2.87Å
434W25.7Very low26.8Very low256 Ų256149.9 Ų149.997%0.9782%0.823SS**  trans-87.9115.7160.4-79-19.7000109.1
435S25.7Very low26.8Very low119 Ų119152.2 Ų152.283%0.83283%0.825SS**  trans-85.2138.1177-56.10000111.8
436R29.7Very low26.7Very low242 Ų242147.1 Ų147.191%0.91382%0.822SS**  trans-146.7111.5167.5177.4-179.8-109-93.61.5111.3
437S26.1Very low28.2Very low131 Ų131144.1 Ų144.192%0.91682%0.819SS**  trans-172.3148.7161.9-85.50000107.9
438G27.5Very low29.1Very low65 Ų65144.5 Ų144.567%0.6782%0.82SS**  cis169.8134.8-11.200000113.9
439F27.4Very low29.1Very low206 Ų206142.4 Ų142.490%0.90482%0.822SS**  trans62.6129154.8-89.5-89.2000124.1
440S25.4Very low30.3Very low116 Ų116143.2 Ų143.281%0.81182%0.824SS**  trans147.4151.513254.50000112.2
441Q31.6Very low30.1Very low171 Ų171143.5 Ų143.580%0.79983%0.829SS**  cis-162.2168.6-34-167.3170.459.300109.1
442T26.8Very low30.2Very low127 Ų127140.9 Ų140.978%0.77983%0.829SS**  trans72.3137.3176.374.90000115.2
443G25.3Very low30.3Very low66 Ų66137.6 Ų137.668%0.6883%0.828SS**  cis172.9175.6-8.100000109.4
444E25.3Very low30.3Very low172 Ų172136.8 Ų136.880%0.80483%0.828SS**  cis-166.9-171.1-10.4-14675.6122.800109.7
445L25.1Very low30.7Very low173 Ų173131.5 Ų131.591%0.90682%0.823SS**  trans78.4160.8177.6-58.4176.1000118.4
446S27.3Very low31.3Very low120 Ų120133 Ų13384%0.83982%0.821SS**  trans-137.8176.3-148.5-66.30000113.9
447P55.9Low31.3Very low119 Ų119127.4 Ų127.477%0.77382%0.816SS**  trans-107.6-176.8-142.844.9-40.7000115.6
448P42.4Very low31.6Very low132 Ų132126.6 Ų126.686%0.85781%0.81SS**  -152.8171.693.341.2-24.3000116.9
449G26.7Very low32.1Very low74 Ų74128.6 Ų128.676%0.76381%0.814SS**  trans112.2136.215300000117.7
450P48.6Very low32.5Very low125 Ų125130.2 Ų130.281%0.81281%0.814SS**  trans-118.2140.9-176.339.3-29.3000116.3
451S30.5Very low33.2Very low132 Ų132131.1 Ų131.192%0.92381%0.814SS**  trans173.1157.614740.20000110.1
452G27.3Very low33.5Very low80 Ų80128.4 Ų128.483%0.82581%0.811SS**  trans143.1101.7171.200000116.4
453I29.5Very low34.2Very low179 Ų179125.2 Ų125.292%0.91879%0.794SS**  trans-66146.1177.9-67.6155.5000113.7
454G27.5Very low34.9Very low67 Ų67130 Ų13069%0.69179%0.792SS**  trans86.7159.8158.100000116.4
455V34Very low35.6Very low145 Ų145129.4 Ų129.488%0.87979%0.787SS**  cis-143.6156.32.6-161.20000109.2
456I36.6Very low36.4Very low151 Ų151125.3 Ų125.377%0.77477%0.766SS**  trans-100.4129.6178.8-58170.3000110.8S458I456-S458 PolarHBondContact O-N 2.87Å
457P31.2Very low37.1Very low125 Ų125131.3 Ų131.381%0.81277%0.77SS**  trans-78.6103.7164.131.1-30.9000110.3
458S30.6Very low36.2Very low113 Ų113130 Ų13079%0.7977%0.769SS**  trans-83123.4175.2-175.10000111.4I456I456-S458 PolarHBondContact O-N 2.87Å
459S38.3Very low36.1Very low107 Ų107131 Ų13175%0.74876%0.76SS**  trans176.682.6154.136.40000112
460R35.5Very low36.7Very low241 Ų241133.5 Ų133.591%0.90976%0.763SS**  trans-156.9117.5158.2-138.6167.3-86.4-149.3-3.5111
461V42.1Very low36.4Very low134 Ų134130.2 Ų130.281%0.81275%0.752SS**PPolyproline II helixtrans-64.7131.3174.9-179.90000108.8S463V461-S463 PolarHBondContact O-N 3.03Å
462P35.9Very low36.7Very low114 Ų114130.7 Ų130.774%0.7475%0.752SS**PPolyproline II helixtrans-59.6123.6-179.7-26.335.7000112.4
463S42.5Very low37.3Very low61 Ų61137.3 Ų137.343%0.42775%0.753SS.*PPolyproline II helixtrans-83.4146.1172.4-168.90000110V461 K465 D466V461-S463 PolarHBondContact O-N 3.03Å; S463-K465 PolarHBondContact O-N 3.02Å; S463-D466 PolarHBondContact O-N 2.76Å
464W40.6Very low37.6Very low166 Ų166136.4 Ų136.463%0.62975%0.751SS**THydrogen-bonded Turntrans-57.8-3.7178.163.2-75.3000115.5R207R207-W464 VanDerWaalsContact NH1-CZ2 3.31Å
465K39.1Very low37.8Very low160 Ų160142.3 Ų142.370%0.69676%0.76SS**THydrogen-bonded Turntrans-82.1-14.6177.5-66.4-176.7175.9-179.80115S463 W467S463-K465 PolarHBondContact O-N 3.02Å; K465-W467 VanDerWaalsContact C-N 3.31Å; K465-W467 PolarHBondContact O-N 2.82Å
466D42.9Very low38.1Very low87 Ų87140.8 Ų140.847%0.46575%0.753SS.*G310 helixtrans-75.7-11.8-174.1-88.5-60.5000115.5S463 A468 K469S463-D466 PolarHBondContact O-N 2.76Å; D466-A468 PolarHBondContact O-N 3.32Å; D466-A468 VanDerWaalsContact O-N 3.11Å; D466-K469 IonicContact OD1-NZ 2.68Å; D466-K469 PolarHBondContact OD1-NZ 3.41Å
467W40.4Very low37.8Very low246 Ų246142 Ų14293%0.93276%0.758SS**G310 helixtrans-72.33.4179.4-71.487.5000115.3K465K465-W467 VanDerWaalsContact C-N 3.31Å; K465-W467 PolarHBondContact O-N 2.82Å
468A39Very low37.7Very low90 Ų90142.1 Ų142.174%0.74476%0.756SS**G310 helixtrans-110.119.7-172.100000114.7D466D466-A468 PolarHBondContact O-N 3.32Å; D466-A468 VanDerWaalsContact O-N 3.11Å
469K39.7Very low37.5Very low153 Ų153144.4 Ų144.467%0.66576%0.759SS**  trans-106124.1178.4-68.9166.3179.8164.40110.6D466D466-K469 IonicContact OD1-NZ 2.68Å; D466-K469 PolarHBondContact OD1-NZ 3.41Å
470P39.3Very low37.2Very low127 Ų127146 Ų14683%0.82576%0.764SS**  trans-65.8149.5167.628.7-33.3000110.7
471G42.9Very low36.9Very low57 Ų57141.7 Ų141.759%0.58876%0.759SS**  trans-69.6161.8-18000000113.4Y473G471-Y473 PolarHBondContact O-N 3.17Å
472P36.4Very low36.3Very low141 Ų141147.1 Ų147.192%0.91677%0.765SS**SBendtrans-81.645.4-169.636.1-38.9000113.6
473Y39.5Very low36.1Very low219 Ų219152.3 Ų152.386%0.85977%0.77SS**  trans-148.166.5-178-150-84.8000113.1G471G471-Y473 PolarHBondContact O-N 3.17Å
474D35.9Very low35.2Very low161 Ų161155.4 Ų155.486%0.86179%0.791SS**  trans-155.5101.2165.2-126.2-28.7000111.9
475Q31.3Very low34.7Very low191 Ų191155.2 Ų155.289%0.89379%0.794SS**  trans-150.9152.4153.9-87.5-141.8-4.500110.2
476P40.9Very low34Very low113 Ų113152.6 Ų152.673%0.73479%0.788SS**  trans-108.9147.4-146.338-32.5000115.1
477M29.4Very low33.4Very low176 Ų176156.6 Ų156.687%0.86780%0.797SS**  trans-138.3111.3166.3-66.8-160.180.300114.3
478V29.1Very low33Very low128 Ų128153.5 Ų153.578%0.77679%0.785SS**  trans40.4127.5138.2-161.40000120.7
479N27.7Very low32.5Very low160 Ų160155.2 Ų155.286%0.85678%0.782SS**  trans-64135.9167.7-73.3-52000114.2
480T30.8Very low32Very low140 Ų140153.2 Ų153.286%0.85978%0.783SS**  trans-133.8110.414855.30000111.9
481L28.6Very low31.6Very low151 Ų151153.4 Ų153.479%0.79178%0.781SS**  trans-75.6136172.4177.584.5000111
482R30.6Very low30.8Very low249 Ų249157.7 Ų157.794%0.9479%0.791SS**  trans-143.6148.3137-82.2-143.5174.6-135.9-3.9112.9
483R30.6Very low31.3Very low223 Ų223156.1 Ų156.184%0.84278%0.78SS**  trans-110.7136.4-177.8174.8-163.9-63.9165-1.4108.5
484S25.4Very low30.9Very low125 Ų125150.8 Ų150.887%0.87478%0.776SS**  trans-141.9171.3155.3-158.10000110.4
485K28.9Very low30.6Very low162 Ų162147.1 Ų147.170%0.70476%0.762SS**  trans-153.3164.1-158.5-173.8-157.4157.9-144.50110.3
486D25.7Very low30.6Very low106 Ų106146.3 Ų146.357%0.56776%0.758SS**  trans94.4148.5171.6-79.1-110.1000114.1
487R29.2Very low30.1Very low170 Ų170149.4 Ų149.464%0.64276%0.763SS**  cis-179.3137.9-31.8-127.6174.2137.6-170.91.1106.9
488R33.1Very low30Very low181 Ų181144.4 Ų144.468%0.68376%0.756SS**  trans67.2158155-66.2-175.3-61.81644.7116.4
489D27.7Very low30Very low126 Ų126143.5 Ų143.567%0.67476%0.756SS**  cis-155150.7-11.6-109.4-12.9000112.8
490T29.4Very low30Very low112 Ų112143 Ų14369%0.68775%0.753SS**  trans46.4135.8144.8-210000124.9
491T30.3Very low30Very low130 Ų130142 Ų14280%0.79875%0.747SS**  trans97.5115.6140.37.70000123
492D27.1Very low30Very low148 Ų148141.2 Ų141.279%0.79175%0.748SS**  trans-62.4-174.3147.2-109.4-45.2000112.2
493P46.1Very low30.1Very low107 Ų107134.9 Ų134.970%0.69574%0.738SS**  cis-140.1-171.712.941.7-22.1000117.4
494S30.2Very low30.5Very low108 Ų108130 Ų13076%0.75574%0.735SS**  trans75.6152.9149.9-108.60000119.5
495S30.4Very low30.8Very low84 Ų84129.4 Ų129.459%0.58773%0.725SS**  cis-175.5154.3-2545.50000111.9
496H32.3Very low31.1Very low173 Ų173130.1 Ų130.180%0.80173%0.731SS**  trans60162158.5-65.9-55000119.1
497Q29.9Very low31.5Very low178 Ų178130.2 Ų130.283%0.83273%0.732SS**  cis-169.7135.5-24.8169.6179.137.300110.6
498G26.8Very low31.6Very low71 Ų71130 Ų13073%0.73274%0.738SS**  trans73.7173.4167.100000117.4
499S29.6Very low31.6Very low110 Ų110129.1 Ų129.177%0.76974%0.742SS**  cis-168.6149.5-24.448.50000112.5
500N28.5Very low31.6Very low149 Ų149126.2 Ų126.280%0.79774%0.742SS**  trans70.3126.4151.5-75.15.6000124.5
501V29.9Very low31.8Very low120 Ų120128 Ų12873%0.72775%0.746SS**  102.7132.6120.6160.70000123.4
502T28.8Very low32Very low133 Ų133130.8 Ų130.882%0.81675%0.747SS**  trans77.9142.8161.4300000124.6
503T31.6Very low32Very low117 Ų117126.9 Ų126.972%0.71874%0.742SS**  trans-102.8164.9165.348.50000111.1
504P39.8Very low31.3Very low120 Ų120127.9 Ų127.978%0.77974%0.741SS**  -138163.4105.717.15.7000112.8
505V32.3Very low31.3Very low112 Ų112130.4 Ų130.468%0.67974%0.741SS**  cis89.4132.123178.50000114.3
506E34.8Very low31.4Very low177 Ų177132.1 Ų132.183%0.82775%0.747SS**  cis-103-113.9-2.9-157.5135.6110.100113.6
507D33.6Very low31.3Very low109 Ų109129.3 Ų129.358%0.58374%0.742SS**  cis-156.1177.50.9-159.323.3000105.9
508Q32.3Very low31.3Very low164 Ų164129.4 Ų129.477%0.76675%0.745SS**  cis-151.1-145.817.5-161.5164.39300111.6
509Q32.5Very low31.5Very low163 Ų163130.8 Ų130.876%0.76274%0.743SS**  trans-127.4164.8-155.6-60.3145.92800113
510G27.4Very low32.1Very low66 Ų66130.7 Ų130.768%0.6874%0.742SS**  cis153.4173.3-8.800000114.5
511I33Very low32.9Very low150 Ų150129.4 Ų129.477%0.76973%0.73SS**  trans74.8135.4152.7-67.5172.6000117.8
512K35.8Very low33.5Very low188 Ų188125.8 Ų125.882%0.81772%0.716SS**  cis-162.5154.3-5.2-118179.8-166.5171.90113.4
513G26.6Very low34.2Very low66 Ų66127.3 Ų127.368%0.6872%0.715SS**  trans98.7146.9147.600000118.3
514N31.8Very low35Very low127 Ų127129.7 Ų129.768%0.67972%0.715SS**  cis-164.8146.3-13-131.542.7000111.2
515H29.9Very low35.5Very low162 Ų162128.4 Ų128.475%0.7570%0.698SS**  trans67.5157.9171.4-49.4-59000116.9
516T31.6Very low36.6Very low119 Ų119125.8 Ų125.873%0.7369%0.688SS**  cis-177.3146.4-22.8-87.20000107.5
517V30.7Very low37.5Very low115 Ų115124 Ų12470%0.69768%0.68SS**  cis-163.7150.8-21.6148.50000106.6
518M29.9Very low39Very low180 Ų180124.1 Ų124.189%0.88768%0.677SS**  trans68.6155.7171.9-80172.617700117.6
519S31.1Very low40.5Very low100 Ų100121.8 Ų121.870%0.69967%0.666SS**  cis-133.6135.35.4-174.50000112.7
520S43Very low41.6Very low107 Ų107119 Ų11975%0.74866%0.656SS**  trans-136.223.3170.556.90000112.5
521K43.7Very low43.4Very low123 Ų123118 Ų11854%0.53564%0.642SS.*SBendtrans-87.4-39.7-176.6-171.3172.5176.5-86.20112.8E523 K524 E525K521-E523 PolarHBondContact O-N 3.41Å; K521-K524 PolarHBondContact O-N 3.29Å; K521-E525 IonicContact NZ-OE1 3.56Å; K521-E525 PolarHBondContact NZ-OE1 2.94Å; K521-E525 IonicContact NZ-OE2 2.7Å; K521-E525 PolarHBondContact NZ-OE2 3.19Å; K521-E525 WeakPolarHBondContact O-CB 3.46Å; K521-E525 PolarHBondContact O-N 3.27Å; K521-E525 VanDerWaalsContact O-N 3.08Å
522G42.5Very low45Very low43 Ų43115.5 Ų115.544%0.44362%0.622SS.*Hα-helixtrans-61-37.6-171.100000114.6E525 A526G522-E525 PolarHBondContact O-N 3.46Å; G522-A526 VanDerWaalsContact O-CB 3.31Å; G522-A526 WeakPolarHBondContact O-CB 3.36Å; G522-A526 PolarHBondContact O-N 3.39Å
523E44Very low46.1Very low166 Ų166108.7 Ų108.778%0.77660%0.601SS**Hα-helixtrans-65.6-41.8-178.3-169.5-178.3-155.400112.5K521 H527K521-E523 PolarHBondContact O-N 3.41Å; E523-H527 WeakPolarHBondContact O-CB 3.4Å; E523-H527 PolarHBondContact O-N 3.2Å
524K47.8Very low47.4Very low167 Ų167110.5 Ų110.573%0.72660%0.595SS**Hα-helixtrans-69.9-36.5172-77.7-176.5175.6176.90112.3K521 H527 E528K521-K524 PolarHBondContact O-N 3.29Å; K524-H527 PolarHBondContact O-N 3.06Å; K524-E528 VanDerWaalsContact O-CB 3.29Å; K524-E528 WeakPolarHBondContact O-CB 3.44Å; K524-E528 PolarHBondContact O-N 2.8Å
525E52.2Low48.4Very low92 Ų92107.3 Ų107.343%0.4359%0.586SS.*Hα-helixtrans-68-37.8179.4-160.1149.6-14200111.3K521 G522 E529K521-E525 IonicContact NZ-OE1 3.56Å; K521-E525 PolarHBondContact NZ-OE1 2.94Å; K521-E525 IonicContact NZ-OE2 2.7Å; K521-E525 PolarHBondContact NZ-OE2 3.19Å; K521-E525 WeakPolarHBondContact O-CB 3.46Å; K521-E525 PolarHBondContact O-N 3.27Å; K521-E525 VanDerWaalsContact O-N 3.08Å; G522-E525 PolarHBondContact O-N 3.46Å; E525-E529 VanDerWaalsContact O-CB 3.24Å; E525-E529 WeakPolarHBondContact O-CB 3.32Å; E525-E529 PolarHBondContact O-N 3.33Å
526A55Low49.6Very low57 Ų57107.9 Ų107.947%0.47158%0.582SS.*Hα-helixtrans-70-43.2172.400000112.8G522 E528 E529 L530G522-A526 VanDerWaalsContact O-CB 3.31Å; G522-A526 WeakPolarHBondContact O-CB 3.36Å; G522-A526 PolarHBondContact O-N 3.39Å; A526-E528 VanDerWaalsContact C-N 3.34Å; A526-E528 PolarHBondContact O-N 2.8Å; A526-E529 PolarHBondContact O-N 2.89Å; A526-L530 WeakPolarHBondContact O-CB 3.46Å; A526-L530 PolarHBondContact O-N 2.68Å
527H53.5Low50.3Low140 Ų140105.4 Ų105.465%0.64858%0.579SS**Hα-helixtrans-63-40.7174.3-178.7-74.4000111.7E523 K524 A531E523-H527 WeakPolarHBondContact O-CB 3.4Å; E523-H527 PolarHBondContact O-N 3.2Å; K524-H527 PolarHBondContact O-N 3.06Å; H527-A531 WeakPolarHBondContact O-CB 3.48Å; H527-A531 PolarHBondContact O-N 3.44Å
528E64.7Low50.8Low112 Ų112107.2 Ų107.252%0.52358%0.584SS.*Hα-helixtrans-74.5-29.3176.8-158.3-171.1-10500112.2K524 A526 R532K524-E528 VanDerWaalsContact O-CB 3.29Å; K524-E528 WeakPolarHBondContact O-CB 3.44Å; K524-E528 PolarHBondContact O-N 2.8Å; A526-E528 VanDerWaalsContact C-N 3.34Å; A526-E528 PolarHBondContact O-N 2.8Å; E528-R532 VanDerWaalsContact O-CB 3.29Å; E528-R532 WeakPolarHBondContact O-CB 3.49Å; E528-R532 VanDerWaalsContact O-CG 3.25Å; E528-R532 WeakPolarHBondContact O-CG 3.46Å; E528-R532 PolarHBondContact O-N 2.96Å; E528-R532 PolarHBondContact O-NE 2.78Å; E528-R532 IonicContact OE2-CZ 3.15Å; E528-R532 IonicContact OE2-NE 2.84Å; E528-R532 PolarHBondContact OE2-NE 3.42Å; E528-R532 IonicContact OE2-NH2 2.68Å; E528-R532 PolarHBondContact OE2-NH2 3.18Å
529E64Low51Low114 Ų114104.7 Ų104.753%0.53357%0.571SS.*Hα-helixtrans-69.2-41.6169.5-179.2152.1-126.900112.5E525 A526 A531 R532 A533E525-E529 VanDerWaalsContact O-CB 3.24Å; E525-E529 WeakPolarHBondContact O-CB 3.32Å; E525-E529 PolarHBondContact O-N 3.33Å; A526-E529 PolarHBondContact O-N 2.89Å; E529-A531 VanDerWaalsContact C-N 3.34Å; E529-A531 PolarHBondContact O-N 2.78Å; E529-R532 CarbonylContact O-C 3.58Å; E529-R532 PolarHBondContact O-N 3.35Å; E529-A533 WeakPolarHBondContact O-CB 3.49Å; E529-A533 PolarHBondContact O-N 3.17Å
530L55.2Low51.1Low105 Ų105108.2 Ų108.255%0.5558%0.581SS.*Hα-helixtrans-61.8-42.1171.9-178.360.9000111A526 A533 L534A526-L530 WeakPolarHBondContact O-CB 3.46Å; A526-L530 PolarHBondContact O-N 2.68Å; L530-A533 PolarHBondContact O-N 2.85Å; L530-L534 HydrophobicContact CD1-CD1 4.31Å; L530-L534 HydrophobicContact CD1-CG 4.36Å; L530-L534 HydrophobicContact CG-CD1 4.11Å; L530-L534 WeakPolarHBondContact O-CB 3.25Å; L530-L534 WeakPolarHBondContact O-CG 3.37Å; L530-L534 PolarHBondContact O-N 2.75Å
531A65.6Low50.5Low46 Ų46109 Ų10938%0.3858%0.576SS.*Hα-helixtrans-62.3-42.5172.200000112.1H527 E529 A533 L534 A535H527-A531 WeakPolarHBondContact O-CB 3.48Å; H527-A531 PolarHBondContact O-N 3.44Å; E529-A531 VanDerWaalsContact C-N 3.34Å; E529-A531 PolarHBondContact O-N 2.78Å; A531-A533 VanDerWaalsContact C-N 3.28Å; A531-A533 PolarHBondContact O-N 2.82Å; A531-L534 PolarHBondContact O-N 3.25Å; A531-A535 VanDerWaalsContact O-CB 3.25Å; A531-A535 WeakPolarHBondContact O-CB 3.43Å; A531-A535 PolarHBondContact O-N 3.36Å
532R66.7Low50Low96 Ų96110.3 Ų110.336%0.36259%0.587SS.*Hα-helixtrans-69-21.6173.7-75.4-178.4-100.1104.5-5.2113E528 E529 R536E528-R532 VanDerWaalsContact O-CB 3.29Å; E528-R532 WeakPolarHBondContact O-CB 3.49Å; E528-R532 VanDerWaalsContact O-CG 3.25Å; E528-R532 WeakPolarHBondContact O-CG 3.46Å; E528-R532 PolarHBondContact O-N 2.96Å; E528-R532 PolarHBondContact O-NE 2.78Å; E528-R532 IonicContact OE2-CZ 3.15Å; E528-R532 IonicContact OE2-NE 2.84Å; E528-R532 PolarHBondContact OE2-NE 3.42Å; E528-R532 IonicContact OE2-NH2 2.68Å; E528-R532 PolarHBondContact OE2-NH2 3.18Å; E529-R532 CarbonylContact O-C 3.58Å; E529-R532 PolarHBondContact O-N 3.35Å; R532-R536 WeakPolarHBondContact O-CB 3.4Å; R532-R536 WeakPolarHBondContact O-CG 3.4Å; R532-R536 PolarHBondContact O-N 3.03Å; R532-R536 PolarHBondContact O-NE 3.16Å
533A59.5Low49.2Very low46 Ų46116.7 Ų116.738%0.3861%0.606SS.*Hα-helixtrans-81.1-46.2173.100000111E529 L530 A531 R536 G537E529-A533 WeakPolarHBondContact O-CB 3.49Å; E529-A533 PolarHBondContact O-N 3.17Å; L530-A533 PolarHBondContact O-N 2.85Å; A531-A533 VanDerWaalsContact C-N 3.28Å; A531-A533 PolarHBondContact O-N 2.82Å; A533-R536 CarbonylContact O-C 3.59Å; A533-R536 PolarHBondContact O-N 3.05Å; A533-G537 PolarHBondContact O-N 3.12Å
534L53.6Low48.6Very low104 Ų104112.6 Ų112.655%0.54561%0.607SS.*Hα-helixtrans-64-39.5175.6-69.3168.8000112L530 A531 R536 G537 L538L530-L534 HydrophobicContact CD1-CD1 4.31Å; L530-L534 HydrophobicContact CD1-CG 4.36Å; L530-L534 HydrophobicContact CG-CD1 4.11Å; L530-L534 WeakPolarHBondContact O-CB 3.25Å; L530-L534 WeakPolarHBondContact O-CG 3.37Å; L530-L534 PolarHBondContact O-N 2.75Å; A531-L534 PolarHBondContact O-N 3.25Å; L534-R536 VanDerWaalsContact C-N 3.34Å; L534-R536 PolarHBondContact O-N 2.96Å; L534-G537 PolarHBondContact O-N 3.27Å; L534-L538 PolarHBondContact O-N 3.27Å; L534-L538 VanDerWaalsContact O-N 3.07Å
535A52.3Low47.6Very low60 Ų60110.4 Ų110.450%0.49661%0.614SS.*Hα-helixtrans-62.2-39.7172.300000112.3A531 Q539A531-A535 VanDerWaalsContact O-CB 3.25Å; A531-A535 WeakPolarHBondContact O-CB 3.43Å; A531-A535 PolarHBondContact O-N 3.36Å; A535-Q539 PolarHBondContact O-N 2.93Å
536R54.1Low46.5Very low174 Ų174110.9 Ų110.966%0.65763%0.627SS**Hα-helixtrans-72.6-27.1173.9-76.5-179.8-73.9-177.42.1113.1R532 A533 L534R532-R536 WeakPolarHBondContact O-CB 3.4Å; R532-R536 WeakPolarHBondContact O-CG 3.4Å; R532-R536 PolarHBondContact O-N 3.03Å; R532-R536 PolarHBondContact O-NE 3.16Å; A533-R536 CarbonylContact O-C 3.59Å; A533-R536 PolarHBondContact O-N 3.05Å; L534-R536 VanDerWaalsContact C-N 3.34Å; L534-R536 PolarHBondContact O-N 2.96Å
537G47.1Very low45.3Very low66 Ų66118.9 Ų118.968%0.6865%0.645SS**Hα-helixtrans-80.5-16.5177.800000115.1A533 L534A533-G537 PolarHBondContact O-N 3.12Å; L534-G537 PolarHBondContact O-N 3.27Å
538L40.4Very low44.1Very low153 Ų153118.1 Ų118.180%0.80165%0.646SS**SBendtrans-105.5-1.7177.9-67.6174000113.7L534 L540L534-L538 PolarHBondContact O-N 3.27Å; L534-L538 VanDerWaalsContact O-N 3.07Å; L538-L540 PolarHBondContact O-N 2.99Å
539Q35Very low42.5Very low128 Ų128117.1 Ų117.160%0.59865%0.651SS**  trans-89.571.9178.4-165.778.52800111.1A535 D541A535-Q539 PolarHBondContact O-N 2.93Å; Q539-D541 PolarHBondContact NE2-OD1 2.83Å; Q539-D541 PolarHBondContact O-N 3.36Å
540L32.7Very low40.9Very low174 Ų174119.4 Ų119.491%0.91167%0.666SS**  trans-82.992.7165.9-150.182.8000108.6L538 I542L538-L540 PolarHBondContact O-N 2.99Å; L540-I542 PolarHBondContact O-N 3.14Å; L540-I542 VanDerWaalsContact O-N 3.11Å
541D31.5Very low39.9Very low122 Ų122123.9 Ų123.965%0.65268%0.684SS**  trans-63.1112.3-170.2-88-27.7000113.5Q539Q539-D541 PolarHBondContact NE2-OD1 2.83Å; Q539-D541 PolarHBondContact O-N 3.36Å
542I32.1Very low38.2Very low151 Ų151125 Ų12577%0.77470%0.7SS**  trans-116.793.3143.1-57.7178.1000107L540L540-I542 PolarHBondContact O-N 3.14Å; L540-I542 VanDerWaalsContact O-N 3.11Å
543H27.4Very low36.7Very low178 Ų178126.2 Ų126.282%0.82472%0.723SS**  trans-177.4123.6130.5-100.2-69.1000110.7
544G31.1Very low35.5Very low79 Ų79130 Ų13081%0.81475%0.747SS**  trans-85.1160.3-176.500000115
545S25.6Very low34.6Very low122 Ų122128 Ų12885%0.85375%0.752SS**  trans-161.7144.2174.4178.30000109
546S29.9Very low33.8Very low102 Ų102136.4 Ų136.471%0.71377%0.772SS**  cis-166.8166.6-20.8-177.40000108.1
547R29.6Very low32.8Very low224 Ų224132.9 Ų132.985%0.84577%0.774SS**  trans75.4146.6-173.7-56175.8159.3-134.9-2.5114.8
548D27.7Very low32.4Very low124 Ų124134.4 Ų134.466%0.66377%0.774SS**  cis-138.9159.29.2-145.2-49.7000113.5
549S30.8Very low32.1Very low92 Ų92135.6 Ų135.664%0.64378%0.776SS**  trans61.895.8155.1-69.50000121.7
550L31.4Very low32Very low161 Ų161135.1 Ų135.184%0.84378%0.782SS**  47.5150.9119.7-64.7172.6000122.8
551Q34.8Very low31.9Very low200 Ų200133.7 Ų133.794%0.93578%0.775SS**  trans75.9133.3173.3-52.1171.9-9.200115.3
552G29.7Very low32.3Very low69 Ų69133.2 Ų133.271%0.71178%0.777SS**  cis157.6139.4-14.700000114.6
553S34.6Very low32.9Very low121 Ų121132 Ų13285%0.84678%0.779SS**  trans89.6134.4165.3-36.20000120
554S35.3Very low33.1Very low127 Ų127128.9 Ų128.989%0.88878%0.775SS**  trans29.2146.4144-51.40000123.2
555G33.2Very low33Very low62 Ų62130.4 Ų130.464%0.63977%0.772SS**  cis150.9162.8-3.700000113.7
556Y35.2Very low33.4Very low236 Ų236129.6 Ų129.693%0.92577%0.767SS**  trans64.5155.4177-75.2-88000116.4
557S34.9Very low33.5Very low99 Ų99133.6 Ų133.669%0.69277%0.774SS**  cis-148.5177.3-0.1-152.80000113.3
558S37.8Very low33.7Very low98 Ų98129.8 Ų129.869%0.68577%0.771SS**  trans-50.1174.4172.7-44.20000116.1
559Q33.3Very low34Very low179 Ų179129 Ų12984%0.83677%0.771SS**  cis-159.5-179.624.7-152.5154.4-1.300114.9
560T34.1Very low34Very low117 Ų117131.7 Ų131.772%0.71878%0.776SS**  trans-68.1178.7-17756.80000114.3
561N30.2Very low34.5Very low144 Ų144129.2 Ų129.277%0.7777%0.77SS**  cis-160.7165.823.1-153.38.6000115.6
562T39.7Very low34.3Very low112 Ų112124.4 Ų124.469%0.68776%0.758SS**  trans-80.6167.7163.4-11.30000111.1
563P44.5Very low34.4Very low127 Ų127129.3 Ų129.383%0.82576%0.763SS**  -148-167.374.540.1-19.1000115.6
564C31.2Very low34Very low111 Ų111129.4 Ų129.475%0.7576%0.758SS**  trans-125.9162.6-177.8-173.40000110.2
565C28.8Very low33.9Very low111 Ų111127.6 Ų127.675%0.7575%0.745SS**  trans154.8140.4131.2-820000116.4
566S35.5Very low33.6Very low106 Ų106131.5 Ų131.574%0.74175%0.751SS**  trans54.4116.313767.20000124.5
567E30.9Very low33.2Very low186 Ų186125.3 Ų125.387%0.86974%0.741SS**  79.1105.7106-150152.483.400123
568D34.1Very low33Very low144 Ų144127.3 Ų127.377%0.7774%0.744SS**  trans60.5145.2135-120.8-49.5000126.8
569T33.2Very low32.4Very low107 Ų107133.1 Ų133.166%0.65675%0.753SS**  trans68.5106.7147.3-73.80000122.9
570I31.6Very low32.3Very low149 Ų149134.5 Ų134.576%0.76475%0.752SS**  47.1136.9126.6-50.8-60.1000120
571P41.2Very low32.1Very low108 Ų108133.9 Ų133.970%0.70175%0.752SS**  cis-144.8179.3-26.341.9-22.1000116.4
572S30.6Very low32.1Very low100 Ų100133.8 Ų133.870%0.69976%0.757SS**  trans59.9109.8134.8175.80000123.3
573Q31.9Very low31.7Very low172 Ų172131.5 Ų131.580%0.80476%0.755SS**  trans99.2132.1137.2-66.4-80.68.700123
574V26.9Very low31Very low122 Ų122130 Ų13074%0.73975%0.754SS**  trans81.9111.2149.2174.20000122.4
575S32.9Very low31Very low89 Ų89132.5 Ų132.562%0.62276%0.76SS**  trans59.1110.9140-69.80000126.1
576D27.9Very low31.1Very low144 Ų144134.9 Ų134.977%0.7776%0.76SS**  75.4148109.1-50.3-36.4000124.8
577C26.8Very low30.8Very low106 Ų106138.8 Ų138.872%0.71677%0.767SS**  trans78.694.5158.9-72.20000122.7
578D29.8Very low30.7Very low142 Ų142133.6 Ų133.676%0.75976%0.763SS**  74.1107.9110.6-60.3-40.3000124.3
579Y25.4Very low30.4Very low219 Ų219134.9 Ų134.986%0.85976%0.764SS**  82.4144.5116.8-151.5-96.5000122
580Y30Very low30.2Very low208 Ų208136.9 Ų136.982%0.81677%0.766SS**  trans-96154.7-171.4-93.2-103000114.7
581S30.6Very low29.9Very low104 Ų104137.2 Ų137.273%0.72776%0.764SS**  trans-160.4123.4138.9-80.10000108.7
582V31.1Very low29.3Very low142 Ų142136.8 Ų136.886%0.86176%0.764SS**  61.8125.884.9179.50000112.2
583G31.8Very low29.1Very low64 Ų64138.6 Ų138.666%0.6677%0.766SS**  cis169.8-169-0.200000111.5
584A29.1Very low28.9Very low97 Ų97139.1 Ų139.180%0.80277%0.766SS**  trans69.1153.8174.700000116.2
585D30.7Very low29Very low162 Ų162139.3 Ų139.387%0.86676%0.763SS**  cis-150.5-175.4-12.2-132.2-40.8000113
586Q30.8Very low28.9Very low161 Ų161144.3 Ų144.375%0.75277%0.773SS**  trans-114145.7-171.7168.8172.9106.500113.8
587E28.6Very low28.9Very low189 Ų189143.2 Ų143.288%0.88378%0.777SS**  trans-174.2153.8148.2-138.175.1-91.800111.9
588G29Very low29Very low77 Ų77144 Ų14479%0.79478%0.784SS**  trans137.7122.5165.900000116.3
589E28.3Very low29.1Very low171 Ų171143 Ų14380%0.79978%0.782SS**  trans-111.5164.7-163.7-85.2-164.810800117.6
590H29Very low29.4Very low148 Ų148140 Ų14069%0.68578%0.78SS**  trans72.4142.4151.6-91.2-130000118.5
591Q25.7Very low29.5Very low156 Ų156135.5 Ų135.573%0.72978%0.776SS**  cis-167.5164.54-175.9165.2-5.200112.5
592S28Very low29.7Very low100 Ų100142.1 Ų142.170%0.69979%0.785SS**  trans83129.4158.151.80000123.8
593D27.1Very low29.7Very low138 Ų138142.4 Ų142.474%0.73878%0.781SS**  trans78.7119.7147.7-60.5-17000125.3
594F28.3Very low29.9Very low183 Ų183144.1 Ų144.180%0.80378%0.784SS**  trans29.5140.2143.3-70.1-96.8000121.4
595D28.3Very low30.5Very low126 Ų126143 Ų14367%0.67476%0.764SS**  cis-147.4177.513.2-154.6-17.2000111.8S597D595-S597 PolarHBondContact O-N 3.48Å
596K30.1Very low31.1Very low194 Ų194141.2 Ų141.284%0.84375%0.753SS**  trans-57120.2-173.7-68161.1-178.7163.10113.9
597S28.6Very low31.8Very low121 Ų121137 Ų13785%0.84674%0.742SS**  trans-88.1131.9156.6-68.50000110.7D595D595-S597 PolarHBondContact O-N 3.48Å
598S28.6Very low32.7Very low123 Ų123133.2 Ų133.286%0.8672%0.724SS**  trans-137.4149.8164.9-164.90000109.1
599T31.2Very low33.4Very low119 Ų119132.7 Ų132.773%0.7371%0.708SS**  trans-124172.8-152.2-53.90000111.8
600I32.1Very low34Very low157 Ų157132.2 Ų132.281%0.80570%0.7SS**  trans87.2131.7168.9-47.9160000113.8
601P33.5Very low34.9Very low113 Ų113135 Ų13573%0.73470%0.704SS**  cis-128.5155.6-32.735.2-18.6000112.8
602R33.2Very low35.9Very low244 Ų244135.7 Ų135.792%0.92170%0.7SS**  trans-89.4120.5163.3-82.2-170174.486.92.2110.2
603N32.2Very low36.6Very low147 Ų147137.6 Ų137.679%0.78670%0.7SS**  trans-123.6158.2163.9-160.3-3000109.5
604S35.1Very low37.3Very low101 Ų101139.5 Ų139.571%0.70670%0.702SS**  trans49.972176.8580000116.4I606S604-I606 PolarHBondContact O-N 2.84Å
605D41.9Very low38.1Very low74 Ų74139.3 Ų139.340%0.39670%0.704SS.*  trans-82.168.1169.8-155.2-30.2000112.4S607 Q608D605-S607 PolarHBondContact O-N 2.88Å; D605-S607 WeakPolarHBondContact OD1-CB 3.31Å; D605-S607 PolarHBondContact OD1-N 3.07Å; D605-Q608 WeakPolarHBondContact OD1-CG 3.44Å; D605-Q608 PolarHBondContact OD1-N 3.48Å; D605-Q608 WeakPolarHBondContact OD2-CG 3.29Å; D605-Q608 PolarHBondContact OD2-NE2 2.82Å
606I44.4Very low38.3Very low124 Ų124138.8 Ų138.864%0.63671%0.71SS**Hα-helixtrans-65.2-23.7169.4-146.974.7000111.1S604S604-I606 PolarHBondContact O-N 2.84Å
607S45.4Very low38.8Very low73 Ų73139.4 Ų139.451%0.5171%0.712SS.*Hα-helixtrans-69.8-39.3-172.1-500000113.2D605 S609 Y610 R611D605-S607 PolarHBondContact O-N 2.88Å; D605-S607 WeakPolarHBondContact OD1-CB 3.31Å; D605-S607 PolarHBondContact OD1-N 3.07Å; S607-S609 VanDerWaalsContact C-N 3.34Å; S607-S609 PolarHBondContact O-N 3.2Å; S607-Y610 PolarHBondContact O-N 3.23Å; S607-R611 PolarHBondContact O-N 3.22Å
608Q46.5Very low39.2Very low109 Ų109145.5 Ų145.551%0.50972%0.717SS.*Hα-helixtrans-66.4-32.7179.1-83.1-171.95500113.2D605 R611 R612D605-Q608 WeakPolarHBondContact OD1-CG 3.44Å; D605-Q608 PolarHBondContact OD1-N 3.48Å; D605-Q608 WeakPolarHBondContact OD2-CG 3.29Å; D605-Q608 PolarHBondContact OD2-NE2 2.82Å; Q608-R611 PolarHBondContact O-N 2.8Å; Q608-R612 PolarHBondContact O-N 3Å
609S43.2Very low40.5Very low65 Ų65145.6 Ų145.646%0.45571%0.714SS.*Hα-helixtrans-67.6-41.2176.3-730000111.9S607 R611 R612S607-S609 VanDerWaalsContact C-N 3.34Å; S607-S609 PolarHBondContact O-N 3.2Å; S609-R611 PolarHBondContact O-N 3.37Å; S609-R612 PolarHBondContact O-N 3.33Å
610Y42.5Very low40.4Very low161 Ų161144.4 Ų144.463%0.63172%0.717SS**Hα-helixtrans-63.5-39.6174.5-84.8-77.6000112.9S607 R612 M613S607-Y610 PolarHBondContact O-N 3.23Å; Y610-R612 VanDerWaalsContact C-N 3.26Å; Y610-R612 PolarHBondContact O-N 3.48Å; Y610-M613 PolarHBondContact O-N 2.9Å
611R46.8Very low40.5Very low206 Ų206142.3 Ų142.378%0.77772%0.716SS**Hα-helixtrans-64.4-27.4176.9-71.8-167.2-175.4-145.52.6113.7S607 Q608 S609 M613S607-R611 PolarHBondContact O-N 3.22Å; Q608-R611 PolarHBondContact O-N 2.8Å; S609-R611 PolarHBondContact O-N 3.37Å; R611-M613 VanDerWaalsContact C-N 3.35Å
612R47.7Very low40.4Very low171 Ų171143.3 Ų143.365%0.64572%0.72SS**Hα-helixtrans-78.2-14.1-178.2-118.9178.7-73.6109.7-3.4114.3Q608 S609 Y610Q608-R612 PolarHBondContact O-N 3Å; S609-R612 PolarHBondContact O-N 3.33Å; Y610-R612 VanDerWaalsContact C-N 3.26Å; Y610-R612 PolarHBondContact O-N 3.48Å
613M41Very low40.3Very low141 Ų141136.8 Ų136.870%0.69572%0.718SS**THydrogen-bonded Turntrans-87.5-13.5-178.5-116.1-179-71.200115Y610 R611Y610-M613 PolarHBondContact O-N 2.9Å; R611-M613 VanDerWaalsContact C-N 3.35Å
614F43.5Very low40.1Very low178 Ų178133.4 Ų133.478%0.78172%0.718SS**SBendtrans-117.223.9-170.9-74.9-75.5000115.2
615Q45.1Very low40.1Very low179 Ų179136.7 Ų136.784%0.83673%0.727SS**  trans-125.874.2177.3-66.6-161.72.600113.8
616S32.3Very low40.1Very low114 Ų114139 Ų13980%0.79775%0.746SS**  trans-119.466172.4600000113.3
617K39.5Very low39.5Very low207 Ų207137.7 Ų137.790%0.975%0.748SS**  trans74123.2156.6-54.6176.8-179.6177.30120.2
618R37.6Very low38.8Very low249 Ų249140.2 Ų140.294%0.9476%0.756SS**  trans-141151.8136.9-120.9-171.9173.7176.3-0.5109.8
619P55.8Low38Very low125 Ų125143.3 Ų143.381%0.81277%0.77SS**  trans-106.8151.2-16838.4-32.5000115.6
620A29.9Very low37.4Very low95 Ų95145.9 Ų145.979%0.78579%0.788SS**  trans-168.9178.6172.400000109.6
621S33.4Very low36.9Very low112 Ų112143.1 Ų143.178%0.78380%0.798SS**  cis-179.2152.1-49.2-83.30000108.7
622T30.7Very low36.4Very low135 Ų135141 Ų14183%0.82880%0.8SS**  cis-167.8140.3-26.4-173.40000109.1
623A32.2Very low35.7Very low106 Ų106140.6 Ų140.688%0.87681%0.81SS**  trans-161.2140.6174.300000110.6
624G28.6Very low35.2Very low76 Ų76140 Ų14078%0.78481%0.814SS**  cis-163.8166.6-7.200000110.8
625L33.3Very low35.4Very low170 Ų170137.4 Ų137.489%0.8982%0.815SS**  trans-93158.5175.5-69.2168.7000110.6
626P43Very low34.9Very low124 Ų124132.1 Ų132.181%0.80581%0.809SS**  -13316290.337.5-27.8000115.1
627S31.7Very low34.9Very low95 Ų95133.5 Ų133.566%0.66481%0.812SS**  trans-68.4149.2167.7162.20000111.5
628N29.9Very low34.7Very low126 Ų126127.6 Ų127.667%0.67480%0.802SS**  -175.7154.1117.9-950.1000117.1
629H29.8Very low34.5Very low175 Ų175121.4 Ų121.481%0.8179%0.792SS**  trans69.1129.5162.7-58.9-51.2000121.3
630S30.7Very low33.6Very low118 Ų118122.3 Ų122.383%0.82579%0.788SS**  trans-88.7143.1170.552.10000112.1
631A31.6Very low33.7Very low104 Ų104127.5 Ų127.586%0.8679%0.788SS**  trans-144.4141.5160.400000111.2
632I36.7Very low34.2Very low160 Ų160132.4 Ų132.482%0.82179%0.789SS**  trans-96.4141.9169.3-64.6164.3000107.2
633I33.5Very low34.9Very low164 Ų164132.3 Ų132.384%0.84179%0.788SS**  trans-177.9150.3145.3-97.9151.2000112.3
634T31.1Very low35.5Very low127 Ų127133.5 Ų133.578%0.77979%0.787SS**  trans-152.8159.7165.8-170000104.7
635P48Very low35.8Very low124 Ų124135.2 Ų135.281%0.80579%0.787SS**  cis-140.6-176.18.744.2-26.3000116.9
636G33.7Very low36Very low69 Ų69132.7 Ų132.771%0.71178%0.784SS**  trans98.5159.9153.700000118
637V32.8Very low35.9Very low142 Ų142135.5 Ų135.586%0.86178%0.784SS**  cis-154.1138.4-9166.60000110.4
638A34.6Very low36.5Very low83 Ų83137.4 Ų137.469%0.68679%0.794SS**  trans63.9164.3161.800000118.8
639T34.1Very low36.8Very low119 Ų119138.3 Ų138.373%0.7380%0.799SS**  cis-154.1159.717-29.10000113.3
640I36.1Very low36.9Very low144 Ų144137.6 Ų137.674%0.73880%0.8SS**  trans69.6112.3157-78.8153000117.4
641R32.6Very low37.2Very low205 Ų205143 Ų14377%0.77480%0.802SS**  68.1131.180.1-90.7-179.8170.9179.4-0.7113.3
642R44.4Very low37.3Very low215 Ų215148 Ų14881%0.81180%0.799SS**  cis-147162.510.2-58.7-177.9167.1126.1-6.4111.9
643T45.2Very low37.5Very low132 Ų132146.2 Ų146.281%0.8180%0.797SS**  trans-92.2160.3155.950.70000111.4
644P43.6Very low37.6Very low131 Ų131143.5 Ų143.585%0.85179%0.793SS**  trans-112.3146.8153.335.6-27.4000112.1
645S34.5Very low37.8Very low113 Ų113141.4 Ų141.479%0.7980%0.796SS**  trans-149.9143.1172.4170.10000108
646S38.9Very low37Very low117 Ų117139.2 Ų139.282%0.81880%0.797SS**  trans162167.3144.449.70000112.3
647K40Very low37.4Very low183 Ų183144.1 Ų144.180%0.79681%0.806SS**  trans-94.9173.3172.9-53.5171.2-177.5175.60109.6
648P45Very low37.9Very low135 Ų135144.6 Ų144.688%0.87780%0.804SS**  -120.8172.2129.535.9-31.8000112.7
649N34.8Very low38.6Very low145 Ų145149.2 Ų149.278%0.77582%0.816SS**  trans-160.8118.1-170.3-171.1-5.2000109.3
650L32.4Very low39.5Very low160 Ų160146.5 Ų146.584%0.83881%0.811SS**  trans-179.8169.4169.1-126.160.4000109.9
651R36.4Very low40.4Very low230 Ų230146 Ų14687%0.86882%0.817SS**  -158.1150.2-65.1-166.4172.7-164.4162.62.1108.6
652R35.3Very low41.3Very low210 Ų210143.5 Ų143.579%0.79282%0.818SS**  trans-65.3142.8-179.7171.3-165.4-65.8166-4.6113.6S654R652-S654 WeakPolarHBondContact CD-OG 3.36Å
653P40.5Very low41.4Very low122 Ų122138.9 Ų138.979%0.79282%0.815SS**  trans-96.1146145.535.9-29.6000111.6
654S36.3Very low41.6Very low108 Ų108140.5 Ų140.576%0.75582%0.817SS**  trans-110.5140174.3-65.40000110.3R652R652-S654 WeakPolarHBondContact CD-OG 3.36Å
655G33.6Very low41.8Very low82 Ų82143.3 Ų143.385%0.84582%0.816SS**  trans174111.7173.800000109.4
656G33.1Very low42.2Very low79 Ų79143.3 Ų143.381%0.81481%0.813SS**  trans-95.4138.8-172.600000113.2
657L41.4Very low42.7Very low171 Ų171143.9 Ų143.990%0.89582%0.815SS**  trans-147.6154.1159.3-93.5175000108.7
658N43.7Very low43Very low153 Ų153143.8 Ų143.882%0.81882%0.819SS**  trans-76.2125.2-165.7-52.1-67.4000113.6
659L48.1Very low43.1Very low180 Ų180144.7 Ų144.794%0.94282%0.815SS**  trans-144.9144.1158-74.1-179.5000110
660G52.7Low43.5Very low62 Ų62143.7 Ų143.764%0.63982%0.817SS**  trans-90.9-171.3-172.300000115.7
661P55Low43.8Very low132 Ų132142.4 Ų142.486%0.85782%0.815SS**PPolyproline II helixtrans-61.8143.6-176.5-23.634.7000114.4
662I53.2Low43.9Very low153 Ų153141.3 Ų141.379%0.78582%0.816SS**PPolyproline II helixtrans-83.8124.5179.8-59171.8000109.9
663P45.3Very low43.9Very low118 Ų118137.3 Ų137.377%0.76682%0.815SS**PPolyproline II helixtrans-75.7125.7176.329.8-33.5000111.8
664I49.2Very low43.8Very low166 Ų166137.3 Ų137.385%0.85182%0.815SS**PPolyproline II helixtrans-84124.5176.1-60.4175.2000109.4
665K48Very low43.6Very low191 Ų191138.8 Ų138.883%0.8382%0.82SS**PPolyproline II helixtrans-85.5141.7170.8-82.7-174.7173.4-178.80111.4
666P43.3Very low43.5Very low112 Ų112140.8 Ų140.873%0.72782%0.816SS**PPolyproline II helixtrans-70151.9165.531.2-34.4000111.1
667P50Low43.7Very low130 Ų130142.8 Ų142.884%0.84481%0.814SS**PPolyproline II helixtrans-75.3140-179.130.5-34.7000112.5
668M45.4Very low43.1Very low180 Ų180144.2 Ų144.289%0.88782%0.817SS**PPolyproline II helixtrans-99.8141.9172.8-69.7173.962.500111
669I46.6Very low42.7Very low155 Ų155145.6 Ų145.680%0.79582%0.818SS**PPolyproline II helixtrans-86.5130.3176.7-59.6174.3000109.3
670P43.6Very low42.6Very low124 Ų124143.1 Ų143.181%0.80581%0.812SS**PPolyproline II helixtrans-71.1130.7178-18.532.1000113.1
671V39.3Very low41.2Very low133 Ų133143.3 Ų143.381%0.80682%0.815SS**PPolyproline II helixtrans-103.8136.5167.5-177.50000108.5
672K39.5Very low39.9Very low206 Ų206146.7 Ų146.790%0.89682%0.816SS**PPolyproline II helixtrans-76.2132.4178.7-76.3-177175.2179.10111.4
673T34.8Very low39.8Very low126 Ų126144.4 Ų144.477%0.77381%0.811SS**PPolyproline II helixtrans-89.5144.317647.50000112.4
674P38.1Very low39.1Very low122 Ų122144.1 Ų144.179%0.79281%0.812SS**PPolyproline II helixtrans-80.3162.6163.634.8-34000111.8
675T31Very low38.1Very low139 Ų139146.2 Ų146.285%0.85381%0.809SS**  trans-108.4150.3-178.4-53.80000111.8
676V31.5Very low37.2Very low125 Ų125140.2 Ų140.276%0.75880%0.795SS**  trans-118.5139.6-171.4169.90000111.5
677P38.2Very low36.7Very low120 Ų120142.5 Ų142.578%0.77980%0.796SS**  trans-91.1162.7160.5-8.528.2000113.4
678E27.8Very low35.8Very low202 Ų202144 Ų14494%0.94480%0.797SS**  trans-83.2172.3-156.4-60.2-163.4113.200119.3
679H37.2Very low35Very low182 Ų182138.4 Ų138.484%0.84379%0.785SS**  trans-86.9-173.6178.7-108.9-46.6000112.2
680P44.3Very low34.2Very low127 Ų127138.3 Ų138.383%0.82579%0.786SS**  cis-143.6176.625.242.2-21.4000119.2
681G24.8Very low33.5Very low67 Ų67137.9 Ų137.969%0.69178%0.781SS**  trans177.1150168.900000114.8
682F27.5Very low34.2Very low203 Ų203136.3 Ų136.389%0.8977%0.774SS**  trans-121.2-174.3-176.4-80.4-94000111.3
683P51.4Low33.6Very low104 Ų104138.1 Ų138.168%0.67578%0.775SS**  -136.5-158.6-69.443.6-25.1000114.3
684S28.8Very low33.2Very low113 Ų113138.5 Ų138.579%0.7978%0.778SS**  trans80.6154.5157.8-71.70000120.3
685R28.3Very low33.9Very low210 Ų210137.8 Ų137.879%0.79277%0.773SS**  cis-173.2164.1-20.8-162.8-167.392.6175.711.5110.5E687R685-E687 IonicContact NH2-OE2 3.22Å
686A29.8Very low33.7Very low64 Ų64138.9 Ų138.953%0.52977%0.773SS.*  trans77.1128.2155.200000118.9
687E32Very low33.5Very low160 Ų160138.2 Ų138.275%0.74877%0.774SS**  83.5147.573.3-70.6170.6140.200112.6R685R685-E687 IonicContact NH2-OE2 3.22Å
688D31.8Very low34.6Very low163 Ų163138.2 Ų138.287%0.87277%0.774SS**  cis-160.3-175.14-153.3-15.7000111.5
689G28.5Very low35.6Very low61 Ų61133.4 Ų133.463%0.62976%0.76SS**  123.66212900000125.5
690N29.4Very low35.2Very low154 Ų154131.1 Ų131.182%0.82476%0.759SS**  trans71.6-175.9132.9-142.6-10.5000123.3
691T29.1Very low34.5Very low114 Ų114131.3 Ų131.370%0.69976%0.758SS**  trans-138.1-156.2-153.365.50000111.9
692P54.4Low35.8Very low101 Ų101133.3 Ų133.366%0.65676%0.759SS**  cis-132.9-179.9-34.630.7-10000114.7
693R27Very low35.8Very low243 Ų243131.5 Ų131.592%0.91776%0.758SS**  156154.9127.3-84.4176.9-179.8179.11.6118.1
694T27.4Very low34.8Very low135 Ų135131.8 Ų131.883%0.82876%0.762SS**  trans-101.7-167.217615.60000112
695P52.5Low35.6Very low107 Ų107131.9 Ų131.970%0.69576%0.76SS**  cis-137.9-168.5-5.824.62.4000116.3
696L26.9Very low35.6Very low161 Ų161127.5 Ų127.584%0.84376%0.761SS**  trans132.1164.9138.6-65.6177000118.8
697S26.6Very low35.7Very low111 Ų111128.8 Ų128.878%0.77677%0.766SS**  trans-158.9-169.6-170.1-43.60000110
698P60.4Low35.5Very low121 Ų121129 Ų12979%0.78677%0.773SS**  cis-115.8-96.7-16.9189.1000112.6
699P49.7Very low35.5Very low100 Ų100124.6 Ų124.665%0.64977%0.765SS**  cis-136.2172.3-44.439.8-21.6000119
700T29.2Very low36.1Very low135 Ų135127.9 Ų127.983%0.82878%0.776SS**  trans83.4154.2147.7300000125.6
701T28.6Very low36.2Very low131 Ų131128.8 Ų128.880%0.80478%0.78SS**  trans-128.5-159.6-172.253.20000110
702P53Low36.6Very low109 Ų109129 Ų12971%0.70879%0.786SS**  cis-131.8-172.9-20.341-23.8000114.2
703L26.8Very low36Very low165 Ų165130.1 Ų130.186%0.86479%0.793SS**  trans173.5170.1133.8-96.1166.9000114.7
704S30.6Very low36Very low109 Ų109128.3 Ų128.376%0.76279%0.792SS**  trans-153.4164.1176.9-46.40000109.5
705P45.8Very low36.2Very low116 Ų116127.1 Ų127.175%0.75379%0.789SS**  -159.1173.375.742.7-22.3000118.8
706S27.7Very low35Very low117 Ų117129 Ų12982%0.81880%0.798SS**  trans62152.5147.7-70.70000121.3
707S31.7Very low35.1Very low91 Ų91124.6 Ų124.664%0.63679%0.785SS**  cis-164.9159.6-3.448.90000112.3
708N29.3Very low35Very low166 Ų166131.8 Ų131.889%0.88880%0.796SS**  trans68.1145.8163.9-51.7-22.4000117.4
709G30.2Very low33.3Very low69 Ų69129.1 Ų129.171%0.71179%0.79SS**  cis164.3123-7.400000111.3
710P41.8Very low32.2Very low131 Ų131130.8 Ų130.885%0.85180%0.799SS**  trans-92161.6-171.436-36.1000114.6
711L31.5Very low32.1Very low172 Ų172133.4 Ų133.490%0.90180%0.802SS**  trans-120.8117.6174.3-75.5175000112.5
712S37.5Very low31.9Very low118 Ų118135.1 Ų135.183%0.82580%0.801SS**  trans-148.4123.6164.2-67.30000110.1
713P42.1Very low31.5Very low126 Ų126134.9 Ų134.982%0.81880%0.799SS**  trans-110.6156.816937.5-29.2000112
714K27.7Very low31.6Very low204 Ų204132.8 Ų132.889%0.88779%0.792SS**  cis-163.8156.7-29.2-136.3178-177.4-178.60106.6
715S29.9Very low31.5Very low111 Ų111136.6 Ų136.678%0.77680%0.798SS**  trans-118.1-173.5-174.1-48.20000112.7
716V29Very low30.6Very low145 Ų145134.3 Ų134.388%0.87980%0.795SS**  trans87.3146.2166-173.60000115.7
717A27.4Very low30.7Very low69 Ų69134.5 Ų134.557%0.5780%0.797SS**  cis-176.3170.1-36.600000109.9
718W25.8Very low30.8Very low262 Ų262138 Ų13899%0.99281%0.809SS**  trans65.3161.1165-54.3-15.4000116.7
719G25Very low31.4Very low65 Ų65135.3 Ų135.367%0.6780%0.8SS**  cis151.6134.4-15.900000115.3
720T26.6Very low32Very low135 Ų135138.1 Ų138.183%0.82881%0.806SS**  trans97140.8160.9-35.70000119.9
721Q26Very low31.5Very low191 Ų191138.2 Ų138.289%0.89380%0.804SS**  trans108.1148.2148-122.3155.891.500120.5
722Q25.6Very low32.1Very low167 Ų167135.6 Ų135.678%0.7880%0.798SS**  trans-119.1-166.6-161.2-129.3-165.6-3.200110
723P44.4Very low32.1Very low104 Ų104135.8 Ų135.868%0.67580%0.796SS**  cis-93-150.114.8-5.830.3000114.4
724V28.7Very low32Very low120 Ų120135.6 Ų135.673%0.72780%0.795SS**  cis-151.8-160.922-1440000112.4
725E27.2Very low32.3Very low190 Ų190134.8 Ų134.889%0.88879%0.794SS**  trans-58.7160.3176.5-63.4159.9137.900114.9
726G28.6Very low32.7Very low67 Ų67135.9 Ų135.969%0.69180%0.798SS**  cis162.3149.5-5.200000112.8
727S29.6Very low32.6Very low122 Ų122132.4 Ų132.485%0.85379%0.792SS**  trans84104.7168.3-45.70000121.2
728D33.9Very low32.6Very low164 Ų164134.6 Ų134.688%0.87780%0.803SS**  57.9159.9129.1-79-6.5000125.7
729P41.7Very low32.6Very low109 Ų109133.7 Ų133.771%0.70880%0.8SS**  trans-102.2170.5-156.540.1-36.7000117.2
730P41.5Very low32.7Very low129 Ų129137.2 Ų137.284%0.83880%0.803SS**  trans-91.5168.6-165.436.2-38000117.3
731T32.4Very low32.7Very low133 Ų133136.8 Ų136.882%0.81680%0.8SS**  trans-136.4149.2-178.9-65.70000110.1
732P43.9Very low32.6Very low117 Ų117135.1 Ų135.176%0.7679%0.792SS**  trans-98.3160.1-160.837.3-37.1000117
733P36.6Very low32.5Very low122 Ų122136.4 Ų136.479%0.79279%0.79SS**  trans-99.6169.7170.237.9-32.6000114.5
734P40.4Very low31.7Very low122 Ų122137 Ų13779%0.79278%0.784SS**  trans-118.6179.9-152.443.4-35000117.6
735Q35Very low31.6Very low187 Ų187141.7 Ų141.787%0.87479%0.788SS**  trans-73.4159.7165-69.1-174.4-2500113.4
736P37.2Very low31.6Very low133 Ų133142 Ų14286%0.86478%0.781SS**  trans-136.7178130.939.5-29000113.2
737G27.1Very low31.8Very low73 Ų73145 Ų14575%0.75379%0.788SS**  trans-167.2173.4172.900000115.8
738S26.7Very low31.7Very low114 Ų114144.8 Ų144.880%0.79778%0.777SS**  trans70.8108.3170.8-165.90000119.5
739R26.2Very low32.1Very low244 Ų244142 Ų14292%0.92177%0.769SS**  -167.8171.5114.3-109.2-175.4177.6-148.9-1.1115
740L26.8Very low31.5Very low139 Ų139143.6 Ų143.673%0.72877%0.766SS**  trans-80.2162.7-162.6-86.468000117.4
741T27.1Very low30.9Very low125 Ų125145.4 Ų145.477%0.76777%0.768SS**  trans67.6153.4148.143.30000118.1
742E24.1Very low30.7Very low157 Ų157145.8 Ų145.873%0.73476%0.764SS**  cis-150.2-170.326.7-148.8178.412900113.2
743W24Very low30.2Very low193 Ų193149.3 Ų149.373%0.73177%0.771SS**  trans-46.7170.6175.369.2-29.6000117.9
744E26.1Very low30Very low117 Ų117152.4 Ų152.455%0.54778%0.775SS.*  cis-158.1167.622-160.6-166.5-152.200113.8
745R28.4Very low29.7Very low219 Ų219153.1 Ų153.183%0.82678%0.777SS**  trans91.1113.8156.9-55.5-169.7-169.3162.912.2120.8
746R27.3Very low29.8Very low195 Ų195152.8 Ų152.874%0.73678%0.775SS**  trans-88.6169.1151.1-67.4-177.6169.7-169.2-5.7110.2
747P31.6Very low29.5Very low130 Ų130157.2 Ų157.284%0.84478%0.776SS**  -128.4135.391.74.817.1000116.1
748L28.2Very low29.8Very low118 Ų118159 Ų15962%0.61878%0.776SS**  trans-4.1168.9142.6-9066.8000121.1
749P41.7Very low30.3Very low107 Ų107160.4 Ų160.470%0.69577%0.77SS**  cis-134.1-142.8-24.437.9-18.3000112.2
750E29.2Very low31.1Very low141 Ų141155.8 Ų155.866%0.65976%0.761SS**  -144.3137.2-100.6-104.966.591.200109.4
751L29Very low31.8Very low168 Ų168154.4 Ų154.488%0.8875%0.75SS**  trans-156.986.9166.5-150.7171.3000107.4
752L28.9Very low33.1Very low140 Ų140153.4 Ų153.473%0.73374%0.741SS**  80.786.466.3-156.2177.8000112.4
753E33.3Very low34.3Very low191 Ų191152.2 Ų152.289%0.89373%0.733SS**  trans-144.561.9171.2-167.7173.7-133.600110.2
754E32.8Very low35.9Very low188 Ų188146.3 Ų146.388%0.87972%0.715SS**  trans-145.781.2177.6-76.9-163.3125.500112.5
755T34.3Very low37.6Very low136 Ų136142.9 Ų142.983%0.83470%0.703SS**SBendtrans-150.625.5170.7-20.80000117.4
756E35.4Very low38.8Very low181 Ų181136.1 Ų136.185%0.84669%0.685SS**SBendtrans-131-9.1179.8-146.5168-153.200116.4
757Y32.3Very low40.3Very low225 Ų225133 Ų13388%0.88268%0.682SS**SBendtrans-96.9-2.7-178.9-92.6-86.9000115.9
758C33.3Very low41.7Very low110 Ų110135.3 Ų135.374%0.74367%0.674SS**SBendtrans-90.9-32.9-174.7-162.60000114.5
759E36.5Very low43.3Very low145 Ų145139.9 Ų139.968%0.67868%0.683SS**Hα-helixtrans-76.2-38.3-173-63.2-160.2140.100113.4E761 D762 F763E759-E761 VanDerWaalsContact C-N 3.29Å; E759-E761 PolarHBondContact O-N 2.82Å; E759-D762 PolarHBondContact O-N 3.31Å; E759-D762 VanDerWaalsContact O-N 3.1Å; E759-F763 HydrophobicContact CB-CD2 4.43Å; E759-F763 HydrophobicContact CB-CE2 4.11Å; E759-F763 WeakPolarHBondContact O-CD2 3.24Å; E759-F763 PolarHBondContact O-N 3.18Å
760M42.3Very low43.5Very low147 Ų147137.1 Ų137.172%0.72467%0.674SS**Hα-helixtrans-63.7-32.8-171-163.1173.5-165.800113.2L764M760-L764 PolarHBondContact O-N 3.48Å
761E41.6Very low44.4Very low109 Ų109135.8 Ų135.851%0.50968%0.675SS.*Hα-helixtrans-73-33.2177.4-160.363.1-143.500111.7E759 L764 V765 R768E759-E761 VanDerWaalsContact C-N 3.29Å; E759-E761 PolarHBondContact O-N 2.82Å; E761-L764 WeakPolarHBondContact O-CB 3.25Å; E761-L764 PolarHBondContact O-N 3.5Å; E761-V765 WeakPolarHBondContact O-CG2 3.25Å; E761-V765 PolarHBondContact O-N 2.92Å; E761-R768 IonicContact OE1-NH1 3.87Å
762D55.2Low45.2Very low105 Ų105137.4 Ų137.456%0.56168%0.675SS**Hα-helixtrans-78.4-29.3-177.8-144.915.6000112.3E759 L764 V765 T766E759-D762 PolarHBondContact O-N 3.31Å; E759-D762 VanDerWaalsContact O-N 3.1Å; D762-L764 VanDerWaalsContact C-N 3.34Å; D762-V765 PolarHBondContact O-N 3.41Å; D762-T766 WeakPolarHBondContact O-CB 3.35Å; D762-T766 PolarHBondContact O-N 2.83Å; D762-T766 PolarHBondContact O-OG1 2.73Å
763F48.8Very low45.8Very low132 Ų132138.2 Ų138.258%0.57968%0.68SS**Hα-helixtrans-60.7-41.9163.9-73.8-65.4000111.7E759 T766 I767E759-F763 HydrophobicContact CB-CD2 4.43Å; E759-F763 HydrophobicContact CB-CE2 4.11Å; E759-F763 WeakPolarHBondContact O-CD2 3.24Å; E759-F763 PolarHBondContact O-N 3.18Å; F763-T766 PolarHBondContact O-N 2.82Å; F763-I767 VanDerWaalsContact O-CG1 3.3Å; F763-I767 WeakPolarHBondContact O-CG1 3.33Å; F763-I767 PolarHBondContact O-N 3.18Å
764L58Low46.3Very low68 Ų68138.4 Ų138.436%0.35668%0.678SS.*Hα-helixtrans-66.4-37.7176.2-73.6167.1000112.2M760 E761 D762 R768M760-L764 PolarHBondContact O-N 3.48Å; E761-L764 WeakPolarHBondContact O-CB 3.25Å; E761-L764 PolarHBondContact O-N 3.5Å; D762-L764 VanDerWaalsContact C-N 3.34Å; L764-R768 WeakPolarHBondContact O-CB 3.29Å; L764-R768 WeakPolarHBondContact O-CD 3.49Å; L764-R768 WeakPolarHBondContact O-CG 3.4Å; L764-R768 PolarHBondContact O-N 2.84Å
765V60.8Low46.6Very low46 Ų46138.5 Ų138.528%0.27968%0.675SS.*Hα-helixtrans-64.4-41.4171.8171.60000111.4E761 D762 R768 R769E761-V765 WeakPolarHBondContact O-CG2 3.25Å; E761-V765 PolarHBondContact O-N 2.92Å; D762-V765 PolarHBondContact O-N 3.41Å; V765-R768 PolarHBondContact O-N 2.89Å; V765-R769 PolarHBondContact O-N 3.42Å
766T53.7Low46.8Very low76 Ų76138 Ų13847%0.46667%0.672SS.*Hα-helixtrans-64.4-43.9178.6-62.80000111.8D762 F763 R769D762-T766 WeakPolarHBondContact O-CB 3.35Å; D762-T766 PolarHBondContact O-N 2.83Å; D762-T766 PolarHBondContact O-OG1 2.73Å; F763-T766 PolarHBondContact O-N 2.82Å; T766-R769 PolarHBondContact O-N 3.41Å
767I59.6Low47.2Very low129 Ų129137.8 Ų137.866%0.66267%0.673SS**Hα-helixtrans-61.9-46173.7-68163.5000110.5F763 R769 G770F763-I767 VanDerWaalsContact O-CG1 3.3Å; F763-I767 WeakPolarHBondContact O-CG1 3.33Å; F763-I767 PolarHBondContact O-N 3.18Å; I767-R769 VanDerWaalsContact C-N 3.27Å; I767-R769 PolarHBondContact O-N 2.82Å; I767-G770 PolarHBondContact O-N 3.49Å
768R60.7Low47.4Very low179 Ų179132.3 Ų132.368%0.67567%0.668SS**Hα-helixtrans-64-24.9179.7-74.3168.5-175.3157.75.5114E761 L764 V765E761-R768 IonicContact OE1-NH1 3.87Å; L764-R768 WeakPolarHBondContact O-CB 3.29Å; L764-R768 WeakPolarHBondContact O-CD 3.49Å; L764-R768 WeakPolarHBondContact O-CG 3.4Å; L764-R768 PolarHBondContact O-N 2.84Å; V765-R768 PolarHBondContact O-N 2.89Å
769R61.9Low48.1Very low214 Ų214133.9 Ų133.981%0.80867%0.668SS**Hα-helixtrans-84.6-12.9179.1-82.5-177.6166.5167.7-1.5114.9V765 T766 I767V765-R769 PolarHBondContact O-N 3.42Å; T766-R769 PolarHBondContact O-N 3.41Å; I767-R769 VanDerWaalsContact C-N 3.27Å; I767-R769 PolarHBondContact O-N 2.82Å
770G46.9Very low48.2Very low50 Ų50133 Ų13352%0.51567%0.669SS.*  trans73.6106.7174.400000113.8I767 K772I767-G770 PolarHBondContact O-N 3.49Å; G770-K772 PolarHBondContact O-N 2.8Å
771V46.2Very low48.4Very low112 Ų112137 Ų13768%0.67968%0.676SS**  trans-63.6111.6177.1-179.30000110L773V771-L773 VanDerWaalsContact C-N 3.31Å; V771-L773 HydrophobicContact CG1-CD2 4.24Å; V771-L773 PolarHBondContact O-N 3.11Å
772K47.5Very low48.6Very low203 Ų203136.4 Ų136.488%0.88368%0.683SS**  trans-77.578.9-177-160.3172.4-171.1174.50110.6G770 K774G770-K772 PolarHBondContact O-N 2.8Å; K772-K774 PolarHBondContact O-N 3.26Å
773L41.1Very low48Very low157 Ų157135.6 Ų135.682%0.82269%0.691SS**  trans-51.9110.6-178.4-67.6176.3000111.4V771 K775V771-L773 VanDerWaalsContact C-N 3.31Å; V771-L773 HydrophobicContact CG1-CD2 4.24Å; V771-L773 PolarHBondContact O-N 3.11Å; L773-K775 PolarHBondContact O-N 2.66Å
774K43.4Very low47.5Very low195 Ų195134.8 Ų134.885%0.84870%0.699SS**  trans-70.1116.8175.2-173177.6-178.5-179.20108.2K772 T776K772-K774 PolarHBondContact O-N 3.26Å; K774-T776 PolarHBondContact O-N 3.08Å
775K38.7Very low46.8Very low190 Ų190138.8 Ų138.883%0.82672%0.719SS**  trans-5897.2-176.1-175.1-179.6-179.6-179.90111.6L773L773-K775 PolarHBondContact O-N 2.66Å
776T39.2Very low45.9Very low126 Ų126144 Ų14477%0.77374%0.744SS**  trans-77.4134.1165.244.20000109K774 S778K774-T776 PolarHBondContact O-N 3.08Å; T776-S778 PolarHBondContact O-N 2.7Å
777M43.8Very low45.7Very low176 Ų176152 Ų15287%0.86778%0.776SS**  trans-87.892.4169.5-74.7-163.166.800109.1
778S36.7Very low45Very low110 Ų110153.2 Ų153.277%0.76978%0.781SS**  trans-88.5128.2161.8-161.10000108.9T776T776-S778 PolarHBondContact O-N 2.7Å
779N47.7Very low44.1Very low142 Ų142151.8 Ų151.876%0.75979%0.787SS**  trans-103.767.6-176.3-175.622.5000109.8
780D37.5Very low43.1Very low127 Ų127148.4 Ų148.468%0.67979%0.786SS**  trans-82.9136.5172.1-158.2-32.5000109.8S782D780-S782 WeakPolarHBondContact OD1-CB 3.45Å; D780-S782 PolarHBondContact OD1-N 3.28Å; D780-S782 PolarHBondContact OD1-OG 2.7Å
781R47.8Very low42.9Very low232 Ų232154.2 Ų154.288%0.87580%0.802SS**  trans-125.930.2-162.4-145.5178-169.9-163.61.9112.4
782S46.1Very low42.7Very low96 Ų96156.8 Ų156.867%0.67181%0.81SS**  trans-111.15.8-165.154.60000115.4D780D780-S782 WeakPolarHBondContact OD1-CB 3.45Å; D780-S782 PolarHBondContact OD1-N 3.28Å; D780-S782 PolarHBondContact OD1-OG 2.7Å
783A41.4Very low42.4Very low87 Ų87153.7 Ų153.772%0.71981%0.805SS**SBendtrans-90.4131.8173.800000111.8
784P38.3Very low42.5Very low115 Ų115153.5 Ų153.575%0.74780%0.803SS**PPolyproline II helixtrans-75.2134.6-178.329.9-34.4000112.3
785I44.5Very low42.4Very low152 Ų152150.3 Ų150.378%0.77980%0.8SS**PPolyproline II helixtrans-77.6129.3171.2-62173.5000108.8
786I41.1Very low42.7Very low155 Ų155147 Ų14780%0.79580%0.798SS**  trans-109.5133.4170.1-57.4178.1000107.8
787H48.5Very low43Very low246 Ų246148.9 Ų148.9100%1.13980%0.8SS**  trans-950177.8-93.7-70.2000112.3

Retrieved 787 of 787 residues in 93.2 ms (Link to these results)

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